data_9GQF
# 
_entry.id   9GQF 
# 
_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   9GQF         pdb_00009gqf 10.2210/pdb9gqf/pdb 
WWPDB D_1292141295 ?            ?                   
# 
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                        9GQF 
_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-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
;
515.638   2   ?       ?                    ? ? 
3 water       nat water 18.015    182 ?       ?                    ? ? 
# 
_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-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
;
A1IOC 
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 
A1IOC non-polymer         . 
;(2~{S},9~{S},14~{E})-2-cyclohexyl-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
;
? 'C29 H41 N O7'   515.638 
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        A1IOC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IOC 
_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 A1IOC 1  201 201 A1IOC DRG B . 
D 2 A1IOC 1  201 201 A1IOC DRG A . 
E 3 HOH   1  301 170 HOH   HOH B . 
E 3 HOH   2  302 178 HOH   HOH B . 
E 3 HOH   3  303 139 HOH   HOH B . 
E 3 HOH   4  304 64  HOH   HOH B . 
E 3 HOH   5  305 56  HOH   HOH B . 
E 3 HOH   6  306 121 HOH   HOH B . 
E 3 HOH   7  307 73  HOH   HOH B . 
E 3 HOH   8  308 53  HOH   HOH B . 
E 3 HOH   9  309 99  HOH   HOH B . 
E 3 HOH   10 310 175 HOH   HOH B . 
E 3 HOH   11 311 166 HOH   HOH B . 
E 3 HOH   12 312 75  HOH   HOH B . 
E 3 HOH   13 313 168 HOH   HOH B . 
E 3 HOH   14 314 28  HOH   HOH B . 
E 3 HOH   15 315 31  HOH   HOH B . 
E 3 HOH   16 316 77  HOH   HOH B . 
E 3 HOH   17 317 9   HOH   HOH B . 
E 3 HOH   18 318 11  HOH   HOH B . 
E 3 HOH   19 319 46  HOH   HOH B . 
E 3 HOH   20 320 122 HOH   HOH B . 
E 3 HOH   21 321 69  HOH   HOH B . 
E 3 HOH   22 322 45  HOH   HOH B . 
E 3 HOH   23 323 136 HOH   HOH B . 
E 3 HOH   24 324 39  HOH   HOH B . 
E 3 HOH   25 325 102 HOH   HOH B . 
E 3 HOH   26 326 35  HOH   HOH B . 
E 3 HOH   27 327 113 HOH   HOH B . 
E 3 HOH   28 328 160 HOH   HOH B . 
E 3 HOH   29 329 42  HOH   HOH B . 
E 3 HOH   30 330 25  HOH   HOH B . 
E 3 HOH   31 331 129 HOH   HOH B . 
E 3 HOH   32 332 17  HOH   HOH B . 
E 3 HOH   33 333 37  HOH   HOH B . 
E 3 HOH   34 334 103 HOH   HOH B . 
E 3 HOH   35 335 2   HOH   HOH B . 
E 3 HOH   36 336 14  HOH   HOH B . 
E 3 HOH   37 337 96  HOH   HOH B . 
E 3 HOH   38 338 93  HOH   HOH B . 
E 3 HOH   39 339 12  HOH   HOH B . 
E 3 HOH   40 340 23  HOH   HOH B . 
E 3 HOH   41 341 22  HOH   HOH B . 
E 3 HOH   42 342 16  HOH   HOH B . 
E 3 HOH   43 343 83  HOH   HOH B . 
E 3 HOH   44 344 50  HOH   HOH B . 
E 3 HOH   45 345 41  HOH   HOH B . 
E 3 HOH   46 346 27  HOH   HOH B . 
E 3 HOH   47 347 48  HOH   HOH B . 
E 3 HOH   48 348 32  HOH   HOH B . 
E 3 HOH   49 349 135 HOH   HOH B . 
E 3 HOH   50 350 115 HOH   HOH B . 
E 3 HOH   51 351 52  HOH   HOH B . 
E 3 HOH   52 352 68  HOH   HOH B . 
E 3 HOH   53 353 63  HOH   HOH B . 
E 3 HOH   54 354 1   HOH   HOH B . 
E 3 HOH   55 355 62  HOH   HOH B . 
E 3 HOH   56 356 57  HOH   HOH B . 
E 3 HOH   57 357 8   HOH   HOH B . 
E 3 HOH   58 358 167 HOH   HOH B . 
E 3 HOH   59 359 72  HOH   HOH B . 
E 3 HOH   60 360 165 HOH   HOH B . 
E 3 HOH   61 361 141 HOH   HOH B . 
E 3 HOH   62 362 82  HOH   HOH B . 
E 3 HOH   63 363 36  HOH   HOH B . 
E 3 HOH   64 364 177 HOH   HOH B . 
E 3 HOH   65 365 109 HOH   HOH B . 
E 3 HOH   66 366 146 HOH   HOH B . 
E 3 HOH   67 367 162 HOH   HOH B . 
E 3 HOH   68 368 58  HOH   HOH B . 
E 3 HOH   69 369 117 HOH   HOH B . 
E 3 HOH   70 370 20  HOH   HOH B . 
E 3 HOH   71 371 138 HOH   HOH B . 
E 3 HOH   72 372 114 HOH   HOH B . 
E 3 HOH   73 373 128 HOH   HOH B . 
E 3 HOH   74 374 131 HOH   HOH B . 
E 3 HOH   75 375 118 HOH   HOH B . 
E 3 HOH   76 376 147 HOH   HOH B . 
E 3 HOH   77 377 5   HOH   HOH B . 
E 3 HOH   78 378 150 HOH   HOH B . 
E 3 HOH   79 379 134 HOH   HOH B . 
E 3 HOH   80 380 176 HOH   HOH B . 
E 3 HOH   81 381 154 HOH   HOH B . 
E 3 HOH   82 382 152 HOH   HOH B . 
E 3 HOH   83 383 137 HOH   HOH B . 
E 3 HOH   84 384 92  HOH   HOH B . 
E 3 HOH   85 385 84  HOH   HOH B . 
E 3 HOH   86 386 105 HOH   HOH B . 
E 3 HOH   87 387 172 HOH   HOH B . 
E 3 HOH   88 388 116 HOH   HOH B . 
E 3 HOH   89 389 51  HOH   HOH B . 
E 3 HOH   90 390 124 HOH   HOH B . 
E 3 HOH   91 391 149 HOH   HOH B . 
E 3 HOH   92 392 159 HOH   HOH B . 
E 3 HOH   93 393 145 HOH   HOH B . 
E 3 HOH   94 394 90  HOH   HOH B . 
E 3 HOH   95 395 104 HOH   HOH B . 
E 3 HOH   96 396 29  HOH   HOH B . 
E 3 HOH   97 397 153 HOH   HOH B . 
E 3 HOH   98 398 106 HOH   HOH B . 
F 3 HOH   1  301 125 HOH   HOH A . 
F 3 HOH   2  302 179 HOH   HOH A . 
F 3 HOH   3  303 161 HOH   HOH A . 
F 3 HOH   4  304 61  HOH   HOH A . 
F 3 HOH   5  305 70  HOH   HOH A . 
F 3 HOH   6  306 181 HOH   HOH A . 
F 3 HOH   7  307 183 HOH   HOH A . 
F 3 HOH   8  308 65  HOH   HOH A . 
F 3 HOH   9  309 74  HOH   HOH A . 
F 3 HOH   10 310 40  HOH   HOH A . 
F 3 HOH   11 311 3   HOH   HOH A . 
F 3 HOH   12 312 112 HOH   HOH A . 
F 3 HOH   13 313 19  HOH   HOH A . 
F 3 HOH   14 314 174 HOH   HOH A . 
F 3 HOH   15 315 126 HOH   HOH A . 
F 3 HOH   16 316 107 HOH   HOH A . 
F 3 HOH   17 317 33  HOH   HOH A . 
F 3 HOH   18 318 94  HOH   HOH A . 
F 3 HOH   19 319 164 HOH   HOH A . 
F 3 HOH   20 320 108 HOH   HOH A . 
F 3 HOH   21 321 15  HOH   HOH A . 
F 3 HOH   22 322 91  HOH   HOH A . 
F 3 HOH   23 323 81  HOH   HOH A . 
F 3 HOH   24 324 34  HOH   HOH A . 
F 3 HOH   25 325 78  HOH   HOH A . 
F 3 HOH   26 326 100 HOH   HOH A . 
F 3 HOH   27 327 38  HOH   HOH A . 
F 3 HOH   28 328 76  HOH   HOH A . 
F 3 HOH   29 329 10  HOH   HOH A . 
F 3 HOH   30 330 59  HOH   HOH A . 
F 3 HOH   31 331 101 HOH   HOH A . 
F 3 HOH   32 332 140 HOH   HOH A . 
F 3 HOH   33 333 143 HOH   HOH A . 
F 3 HOH   34 334 79  HOH   HOH A . 
F 3 HOH   35 335 54  HOH   HOH A . 
F 3 HOH   36 336 71  HOH   HOH A . 
F 3 HOH   37 337 88  HOH   HOH A . 
F 3 HOH   38 338 98  HOH   HOH A . 
F 3 HOH   39 339 120 HOH   HOH A . 
F 3 HOH   40 340 182 HOH   HOH A . 
F 3 HOH   41 341 127 HOH   HOH A . 
F 3 HOH   42 342 67  HOH   HOH A . 
F 3 HOH   43 343 26  HOH   HOH A . 
F 3 HOH   44 344 24  HOH   HOH A . 
F 3 HOH   45 345 60  HOH   HOH A . 
F 3 HOH   46 346 55  HOH   HOH A . 
F 3 HOH   47 347 186 HOH   HOH A . 
F 3 HOH   48 348 85  HOH   HOH A . 
F 3 HOH   49 349 169 HOH   HOH A . 
F 3 HOH   50 350 13  HOH   HOH A . 
F 3 HOH   51 351 97  HOH   HOH A . 
F 3 HOH   52 352 95  HOH   HOH A . 
F 3 HOH   53 353 171 HOH   HOH A . 
F 3 HOH   54 354 30  HOH   HOH A . 
F 3 HOH   55 355 43  HOH   HOH A . 
F 3 HOH   56 356 49  HOH   HOH A . 
F 3 HOH   57 357 119 HOH   HOH A . 
F 3 HOH   58 358 18  HOH   HOH A . 
F 3 HOH   59 359 47  HOH   HOH A . 
F 3 HOH   60 360 44  HOH   HOH A . 
F 3 HOH   61 361 130 HOH   HOH A . 
F 3 HOH   62 362 123 HOH   HOH A . 
F 3 HOH   63 363 6   HOH   HOH A . 
F 3 HOH   64 364 187 HOH   HOH A . 
F 3 HOH   65 365 132 HOH   HOH A . 
F 3 HOH   66 366 158 HOH   HOH A . 
F 3 HOH   67 367 148 HOH   HOH A . 
F 3 HOH   68 368 87  HOH   HOH A . 
F 3 HOH   69 369 110 HOH   HOH A . 
F 3 HOH   70 370 173 HOH   HOH A . 
F 3 HOH   71 371 184 HOH   HOH A . 
F 3 HOH   72 372 4   HOH   HOH A . 
F 3 HOH   73 373 142 HOH   HOH A . 
F 3 HOH   74 374 156 HOH   HOH A . 
F 3 HOH   75 375 111 HOH   HOH A . 
F 3 HOH   76 376 86  HOH   HOH A . 
F 3 HOH   77 377 157 HOH   HOH A . 
F 3 HOH   78 378 185 HOH   HOH A . 
F 3 HOH   79 379 80  HOH   HOH A . 
F 3 HOH   80 380 66  HOH   HOH A . 
F 3 HOH   81 381 89  HOH   HOH A . 
F 3 HOH   82 382 144 HOH   HOH A . 
F 3 HOH   83 383 151 HOH   HOH A . 
F 3 HOH   84 384 163 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  ? CE  ? A LYS 76  CE  
38  1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
39  1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
40  1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
41  1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
42  1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
43  1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
44  1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
45  1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
46  1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
47  1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
48  1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
49  1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
50  1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
51  1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
52  1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
53  1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
54  1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
55  1 Y 1 A ASN 42  ? CG  ? B ASN 30  CG  
56  1 Y 1 A ASN 42  ? OD1 ? B ASN 30  OD1 
57  1 Y 1 A ASN 42  ? ND2 ? B ASN 30  ND2 
58  1 Y 1 A GLU 44  ? CG  ? B GLU 32  CG  
59  1 Y 1 A GLU 44  ? CD  ? B GLU 32  CD  
60  1 Y 1 A GLU 44  ? OE1 ? B GLU 32  OE1 
61  1 Y 1 A GLU 44  ? OE2 ? B GLU 32  OE2 
62  1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
63  1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
64  1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
65  1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
66  1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
67  1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
68  1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
69  1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
70  1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
71  1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
72  1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
73  1 Y 1 A ASP 72  ? CG  ? B ASP 60  CG  
74  1 Y 1 A ASP 72  ? OD1 ? B ASP 60  OD1 
75  1 Y 1 A ASP 72  ? OD2 ? B ASP 60  OD2 
76  1 Y 1 A ARG 73  ? CG  ? B ARG 61  CG  
77  1 Y 1 A ARG 73  ? CD  ? B ARG 61  CD  
78  1 Y 1 A ARG 73  ? NE  ? B ARG 61  NE  
79  1 Y 1 A ARG 73  ? CZ  ? B ARG 61  CZ  
80  1 Y 1 A ARG 73  ? NH1 ? B ARG 61  NH1 
81  1 Y 1 A ARG 73  ? NH2 ? B ARG 61  NH2 
82  1 Y 1 A ASN 74  ? CG  ? B ASN 62  CG  
83  1 Y 1 A ASN 74  ? OD1 ? B ASN 62  OD1 
84  1 Y 1 A ASN 74  ? ND2 ? B ASN 62  ND2 
85  1 Y 1 A LYS 83  ? CG  ? B LYS 71  CG  
86  1 Y 1 A LYS 83  ? CD  ? B LYS 71  CD  
87  1 Y 1 A LYS 83  ? CE  ? B LYS 71  CE  
88  1 Y 1 A LYS 83  ? NZ  ? B LYS 71  NZ  
89  1 Y 1 A LYS 88  ? CG  ? B LYS 76  CG  
90  1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
91  1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
92  1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
93  1 Y 1 A LYS 99  ? CG  ? B LYS 87  CG  
94  1 Y 1 A LYS 99  ? CD  ? B LYS 87  CD  
95  1 Y 1 A LYS 99  ? CE  ? B LYS 87  CE  
96  1 Y 1 A LYS 99  ? NZ  ? B LYS 87  NZ  
97  1 Y 1 A LYS 108 ? CG  ? B LYS 96  CG  
98  1 Y 1 A LYS 108 ? CD  ? B LYS 96  CD  
99  1 Y 1 A LYS 108 ? CE  ? B LYS 96  CE  
100 1 Y 1 A LYS 108 ? NZ  ? B LYS 96  NZ  
101 1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
102 1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
103 1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
104 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
105 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
106 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
107 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
108 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                     9GQF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.676 
_cell.length_a_esd                 ? 
_cell.length_b                     48.676 
_cell.length_b_esd                 ? 
_cell.length_c                     195.689 
_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                         9GQF 
_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                   9GQF 
_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             2.39 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.52 
_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                                       9GQF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.80 
_reflns.d_resolution_low                               48.92 
_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                                     26052 
_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                                10.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          25.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.99 
_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                                0.053 
_reflns.pdbx_Rpim_I_all                                0.022 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.048 
_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 
9.00 48.92 ? 56.4 ? ? ? ? 276  ? ? ? ? ? ? ? ? ? ? ? 7.9  0.76 ? ? 0.026 0.011 ? 1 ? 1.000 ? ? 99.5  ? 0.023 ? ? ? ? ? ? ? ? ? 
1.80 1.84  ? 5.5  ? ? ? ? 1500 ? ? ? ? ? ? ? ? ? ? ? 11.1 1.04 ? ? 0.424 0.172 ? 2 ? 0.965 ? ? 100.0 ? 0.387 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.629 
_refine.aniso_B[1][2]                            -0.315 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.629 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            2.041 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               30.989 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.955 
_refine.correlation_coeff_Fo_to_Fc_free          0.947 
_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                                 9GQF 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.800 
_refine.ls_d_res_low                             42.190 
_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                     25982 
_refine.ls_number_reflns_R_free                  1298 
_refine.ls_number_reflns_R_work                  24684 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.965 
_refine.ls_percent_reflns_R_free                 4.996 
_refine.ls_R_factor_all                          0.197 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2256 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1953 
_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                       0.131 
_refine.pdbx_overall_ESU_R_Free                  0.122 
_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                             5.202 
_refine.overall_SU_ML                            0.084 
_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                       1.800 
_refine_hist.d_res_low                        42.190 
_refine_hist.number_atoms_solvent             182 
_refine_hist.number_atoms_total               2122 
_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        1866 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         74 
_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' ? 0.015  0.012  2026 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1876 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.325  1.825  2742 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.799  1.738  4375 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.851  5.000  254  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.206 13.182 22   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.403 10.000 298  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.524 10.000 65   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.114  0.200  301  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.013  0.020  2286 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  402  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  353  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.191  0.200  1714 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.182  0.200  985  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.096  0.200  1070 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  130  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.300  0.200  9    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  35   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.281  0.200  17   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.156  1.556  1022 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.152  1.556  1022 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.981  2.785  1274 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.980  2.787  1275 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.637  1.683  1004 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.635  1.682  1005 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.798  2.989  1468 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.796  2.988  1469 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.323  16.701 2224 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.255  16.027 2178 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.105  0.050  3523 ? r_ncsr_local_group_1           ? ? 
# 
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 ? ? 0.10456 ? 0.05008 1 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.10456 ? 0.05008 2 'Local ncs' ? 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' 1.800 1.847  1852 . 103 1748 99.9460  . 0.210 . . 0.207 . . . . . 0.190 . 20 . 0.970 0.951 0.258 
'X-RAY DIFFRACTION' 1.847 1.897  1823 . 86  1737 100.0000 . 0.213 . . 0.211 . . . . . 0.192 . 20 . 0.971 0.957 0.244 
'X-RAY DIFFRACTION' 1.897 1.952  1833 . 109 1724 100.0000 . 0.201 . . 0.196 . . . . . 0.176 . 20 . 0.974 0.954 0.268 
'X-RAY DIFFRACTION' 1.952 2.012  1720 . 83  1637 100.0000 . 0.202 . . 0.199 . . . . . 0.181 . 20 . 0.974 0.959 0.261 
'X-RAY DIFFRACTION' 2.012 2.078  1645 . 87  1557 99.9392  . 0.192 . . 0.189 . . . . . 0.172 . 20 . 0.977 0.960 0.262 
'X-RAY DIFFRACTION' 2.078 2.151  1647 . 79  1568 100.0000 . 0.177 . . 0.175 . . . . . 0.161 . 20 . 0.980 0.966 0.232 
'X-RAY DIFFRACTION' 2.151 2.232  1587 . 73  1514 100.0000 . 0.174 . . 0.172 . . . . . 0.160 . 20 . 0.982 0.969 0.231 
'X-RAY DIFFRACTION' 2.232 2.322  1524 . 80  1444 100.0000 . 0.179 . . 0.179 . . . . . 0.165 . 20 . 0.980 0.976 0.191 
'X-RAY DIFFRACTION' 2.322 2.425  1464 . 67  1397 100.0000 . 0.183 . . 0.180 . . . . . 0.167 . 20 . 0.980 0.975 0.236 
'X-RAY DIFFRACTION' 2.425 2.543  1400 . 86  1314 100.0000 . 0.190 . . 0.188 . . . . . 0.177 . 20 . 0.978 0.971 0.226 
'X-RAY DIFFRACTION' 2.543 2.680  1335 . 80  1254 99.9251  . 0.206 . . 0.202 . . . . . 0.193 . 20 . 0.974 0.958 0.266 
'X-RAY DIFFRACTION' 2.680 2.842  1274 . 54  1220 100.0000 . 0.213 . . 0.211 . . . . . 0.204 . 20 . 0.972 0.968 0.238 
'X-RAY DIFFRACTION' 2.842 3.037  1215 . 60  1155 100.0000 . 0.206 . . 0.206 . . . . . 0.200 . 20 . 0.971 0.970 0.221 
'X-RAY DIFFRACTION' 3.037 3.279  1118 . 43  1075 100.0000 . 0.208 . . 0.206 . . . . . 0.207 . 20 . 0.974 0.968 0.238 
'X-RAY DIFFRACTION' 3.279 3.590  1030 . 56  973  99.9029  . 0.218 . . 0.217 . . . . . 0.221 . 20 . 0.976 0.962 0.240 
'X-RAY DIFFRACTION' 3.590 4.010  967  . 46  921  100.0000 . 0.186 . . 0.186 . . . . . 0.193 . 20 . 0.980 0.981 0.190 
'X-RAY DIFFRACTION' 4.010 4.624  845  . 33  812  100.0000 . 0.152 . . 0.152 . . . . . 0.166 . 20 . 0.987 0.981 0.152 
'X-RAY DIFFRACTION' 4.624 5.646  736  . 38  698  100.0000 . 0.177 . . 0.177 . . . . . 0.196 . 20 . 0.984 0.990 0.166 
'X-RAY DIFFRACTION' 5.646 7.914  595  . 15  580  100.0000 . 0.250 . . 0.250 . . . . . 0.268 . 20 . 0.974 0.962 0.255 
'X-RAY DIFFRACTION' 7.914 42.190 380  . 20  356  98.9474  . 0.253 . . 0.249 . . . . . 0.282 . 20 . 0.958 0.934 0.331 
# 
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   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GQF 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog m5(2,3)-(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        9GQF 
_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 9GQF B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GQF 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 9GQF GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GQF ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GQF PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GQF THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GQF ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GQF ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GQF GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GQF ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GQF PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GQF THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GQF ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GQF 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 ? THR B 84  ? ILE A 87  THR A 96  1 ? 10 
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 2.16 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 6.33 
# 
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 ILE A 24  ? N ILE B 36  O HIS A 92  ? O HIS B 104 
AA1 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA1 4 5 O LYS A 126 ? O LYS B 138 N LYS A 40  ? N LYS B 52  
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 ILE A 24  ? N ILE B 36  O HIS A 92  ? O HIS B 104 
AA2 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA2 4 5 O LYS A 126 ? O LYS B 138 N LYS A 40  ? N LYS B 52  
AA2 5 6 N VAL A 41  ? N VAL B 53  O PHE A 67  ? O PHE B 79  
AA3 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA3 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA3 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA3 4 5 O LYS B 126 ? O LYS A 138 N LYS B 40  ? N LYS A 52  
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 ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA4 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA4 4 5 O LYS B 126 ? O LYS A 138 N LYS B 40  ? N LYS A 52  
AA4 5 6 N VAL B 41  ? N VAL A 53  O PHE B 67  ? O PHE A 79  
# 
_pdbx_entry_details.entry_id                   9GQF 
_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 O B HOH 334 ? ? O B HOH 366 ? ? 2.10 
2 1 O B HOH 354 ? ? O B HOH 360 ? ? 2.16 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     350 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     350 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_555 
_pdbx_validate_symm_contact.dist              2.04 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CD B ARG 39 ? ? NE B ARG 39 ? ? CZ  B ARG 39 ? ? 141.54 123.60 17.94  1.40 N 
2 1 NE B ARG 39 ? ? CZ B ARG 39 ? ? NH1 B ARG 39 ? ? 131.37 120.30 11.07  0.50 N 
3 1 NE B ARG 39 ? ? CZ B ARG 39 ? ? NH2 B ARG 39 ? ? 112.84 120.30 -7.46  0.50 N 
4 1 CA B MET 48 ? ? CB B MET 48 ? ? CG  B MET 48 ? ? 124.47 113.30 11.17  1.70 N 
5 1 CB B PHE 67 ? ? CA B PHE 67 ? ? C   B PHE 67 ? ? 98.38  110.40 -12.02 2.00 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA B 112 ? ? -135.45 -100.72 
2 1 SER B 118 ? ? -158.37 76.19   
3 1 ALA A 112 ? ? -131.01 -103.28 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    B 
_pdbx_validate_planes.auth_seq_id     39 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.074 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_validate_main_chain_plane.id                       1 
_pdbx_validate_main_chain_plane.PDB_model_num            1 
_pdbx_validate_main_chain_plane.auth_comp_id             LEU 
_pdbx_validate_main_chain_plane.auth_asym_id             B 
_pdbx_validate_main_chain_plane.auth_seq_id              119 
_pdbx_validate_main_chain_plane.PDB_ins_code             ? 
_pdbx_validate_main_chain_plane.label_alt_id             ? 
_pdbx_validate_main_chain_plane.improper_torsion_angle   -10.92 
# 
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 -18.4762 0.6436   -3.9355  0.0532 ? -0.0115 ? -0.0191 ? 0.0161 ? -0.0055 ? 0.1168 ? 3.2779 ? 
-1.2003 ? 0.0586 ? 3.9101 ? 0.6376 ? 2.5263 ? 0.0503 ? 0.0907 ? 0.4128  ? -0.2216 ? -0.1494 ? 0.3225 ? -0.1249 ? 0.0068 ? 0.0991  
? 
2 'X-RAY DIFFRACTION' ? refined -10.1415 -14.8664 -29.3547 0.1316 ? 0.0824  ? -0.0159 ? 0.0555 ? -0.0226 ? 0.0563 ? 5.1325 ? 
-0.5888 ? 0.9954 ? 2.4872 ? 0.0840 ? 2.4057 ? 0.3590 ? 0.2828 ? -0.4327 ? -0.2656 ? -0.2402 ? 0.1906 ? 0.1452  ? 0.1029 ? -0.1188 
? 
# 
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 
A1IOC C4   C Y N 1   
A1IOC C14  C N N 2   
A1IOC C5   C Y N 3   
A1IOC C6   C Y N 4   
A1IOC C11  C N N 5   
A1IOC C7   C Y N 6   
A1IOC C8   C N N 7   
A1IOC C9   C N N 8   
A1IOC C10  C N N 9   
A1IOC C12  C N N 10  
A1IOC C13  C N N 11  
A1IOC N1   N N N 12  
A1IOC C3   C Y N 13  
A1IOC C1   C N N 14  
A1IOC O1   O N N 15  
A1IOC C2   C Y N 16  
A1IOC O2   O N N 17  
A1IOC O3   O N N 18  
A1IOC O4   O N N 19  
A1IOC C15  C N N 20  
A1IOC O5   O N N 21  
A1IOC C16  C N N 22  
A1IOC O6   O N N 23  
A1IOC C17  C N S 24  
A1IOC C18  C N N 25  
A1IOC C19  C N N 26  
A1IOC C20  C N N 27  
A1IOC C21  C N N 28  
A1IOC C22  C N N 29  
A1IOC O7   O N N 30  
A1IOC C23  C N S 31  
A1IOC C24  C N N 32  
A1IOC C25  C N N 33  
A1IOC C26  C N N 34  
A1IOC C27  C N N 35  
A1IOC C28  C N N 36  
A1IOC C29  C N N 37  
A1IOC H18  H N N 38  
A1IOC H17  H N N 39  
A1IOC H5   H N N 40  
A1IOC H14  H N N 41  
A1IOC H13  H N N 42  
A1IOC H7   H N N 43  
A1IOC H8   H N N 44  
A1IOC H6   H N N 45  
A1IOC H10  H N N 46  
A1IOC H9   H N N 47  
A1IOC H12  H N N 48  
A1IOC H11  H N N 49  
A1IOC H15  H N N 50  
A1IOC H16  H N N 51  
A1IOC H4   H N N 52  
A1IOC H2   H N N 53  
A1IOC H3   H N N 54  
A1IOC H1   H N N 55  
A1IOC H20  H N N 56  
A1IOC H19  H N N 57  
A1IOC H21  H N N 58  
A1IOC H23  H N N 59  
A1IOC H22  H N N 60  
A1IOC H24  H N N 61  
A1IOC H25  H N N 62  
A1IOC H26  H N N 63  
A1IOC H27  H N N 64  
A1IOC H28  H N N 65  
A1IOC H29  H N N 66  
A1IOC H30  H N N 67  
A1IOC H31  H N N 68  
A1IOC H33  H N N 69  
A1IOC H32  H N N 70  
A1IOC H34  H N N 71  
A1IOC H35  H N N 72  
A1IOC H36  H N N 73  
A1IOC H37  H N N 74  
A1IOC H38  H N N 75  
A1IOC H39  H N N 76  
A1IOC H41  H N N 77  
A1IOC H40  H N N 78  
ALA   N    N N N 79  
ALA   CA   C N S 80  
ALA   C    C N N 81  
ALA   O    O N N 82  
ALA   CB   C N N 83  
ALA   OXT  O N N 84  
ALA   H    H N N 85  
ALA   H2   H N N 86  
ALA   HA   H N N 87  
ALA   HB1  H N N 88  
ALA   HB2  H N N 89  
ALA   HB3  H N N 90  
ALA   HXT  H N N 91  
ARG   N    N N N 92  
ARG   CA   C N S 93  
ARG   C    C N N 94  
ARG   O    O N N 95  
ARG   CB   C N N 96  
ARG   CG   C N N 97  
ARG   CD   C N N 98  
ARG   NE   N N N 99  
ARG   CZ   C N N 100 
ARG   NH1  N N N 101 
ARG   NH2  N N N 102 
ARG   OXT  O N N 103 
ARG   H    H N N 104 
ARG   H2   H N N 105 
ARG   HA   H N N 106 
ARG   HB2  H N N 107 
ARG   HB3  H N N 108 
ARG   HG2  H N N 109 
ARG   HG3  H N N 110 
ARG   HD2  H N N 111 
ARG   HD3  H N N 112 
ARG   HE   H N N 113 
ARG   HH11 H N N 114 
ARG   HH12 H N N 115 
ARG   HH21 H N N 116 
ARG   HH22 H N N 117 
ARG   HXT  H N N 118 
ASN   N    N N N 119 
ASN   CA   C N S 120 
ASN   C    C N N 121 
ASN   O    O N N 122 
ASN   CB   C N N 123 
ASN   CG   C N N 124 
ASN   OD1  O N N 125 
ASN   ND2  N N N 126 
ASN   OXT  O N N 127 
ASN   H    H N N 128 
ASN   H2   H N N 129 
ASN   HA   H N N 130 
ASN   HB2  H N N 131 
ASN   HB3  H N N 132 
ASN   HD21 H N N 133 
ASN   HD22 H N N 134 
ASN   HXT  H N N 135 
ASP   N    N N N 136 
ASP   CA   C N S 137 
ASP   C    C N N 138 
ASP   O    O N N 139 
ASP   CB   C N N 140 
ASP   CG   C N N 141 
ASP   OD1  O N N 142 
ASP   OD2  O N N 143 
ASP   OXT  O N N 144 
ASP   H    H N N 145 
ASP   H2   H N N 146 
ASP   HA   H N N 147 
ASP   HB2  H N N 148 
ASP   HB3  H N N 149 
ASP   HD2  H N N 150 
ASP   HXT  H N N 151 
CYS   N    N N N 152 
CYS   CA   C N R 153 
CYS   C    C N N 154 
CYS   O    O N N 155 
CYS   CB   C N N 156 
CYS   SG   S N N 157 
CYS   OXT  O N N 158 
CYS   H    H N N 159 
CYS   H2   H N N 160 
CYS   HA   H N N 161 
CYS   HB2  H N N 162 
CYS   HB3  H N N 163 
CYS   HG   H N N 164 
CYS   HXT  H N N 165 
GLN   N    N N N 166 
GLN   CA   C N S 167 
GLN   C    C N N 168 
GLN   O    O N N 169 
GLN   CB   C N N 170 
GLN   CG   C N N 171 
GLN   CD   C N N 172 
GLN   OE1  O N N 173 
GLN   NE2  N N N 174 
GLN   OXT  O N N 175 
GLN   H    H N N 176 
GLN   H2   H N N 177 
GLN   HA   H N N 178 
GLN   HB2  H N N 179 
GLN   HB3  H N N 180 
GLN   HG2  H N N 181 
GLN   HG3  H N N 182 
GLN   HE21 H N N 183 
GLN   HE22 H N N 184 
GLN   HXT  H N N 185 
GLU   N    N N N 186 
GLU   CA   C N S 187 
GLU   C    C N N 188 
GLU   O    O N N 189 
GLU   CB   C N N 190 
GLU   CG   C N N 191 
GLU   CD   C N N 192 
GLU   OE1  O N N 193 
GLU   OE2  O N N 194 
GLU   OXT  O N N 195 
GLU   H    H N N 196 
GLU   H2   H N N 197 
GLU   HA   H N N 198 
GLU   HB2  H N N 199 
GLU   HB3  H N N 200 
GLU   HG2  H N N 201 
GLU   HG3  H N N 202 
GLU   HE2  H N N 203 
GLU   HXT  H N N 204 
GLY   N    N N N 205 
GLY   CA   C N N 206 
GLY   C    C N N 207 
GLY   O    O N N 208 
GLY   OXT  O N N 209 
GLY   H    H N N 210 
GLY   H2   H N N 211 
GLY   HA2  H N N 212 
GLY   HA3  H N N 213 
GLY   HXT  H N N 214 
HIS   N    N N N 215 
HIS   CA   C N S 216 
HIS   C    C N N 217 
HIS   O    O N N 218 
HIS   CB   C N N 219 
HIS   CG   C Y N 220 
HIS   ND1  N Y N 221 
HIS   CD2  C Y N 222 
HIS   CE1  C Y N 223 
HIS   NE2  N Y N 224 
HIS   OXT  O N N 225 
HIS   H    H N N 226 
HIS   H2   H N N 227 
HIS   HA   H N N 228 
HIS   HB2  H N N 229 
HIS   HB3  H N N 230 
HIS   HD1  H N N 231 
HIS   HD2  H N N 232 
HIS   HE1  H N N 233 
HIS   HE2  H N N 234 
HIS   HXT  H N N 235 
HOH   O    O N N 236 
HOH   H1   H N N 237 
HOH   H2   H N N 238 
ILE   N    N N N 239 
ILE   CA   C N S 240 
ILE   C    C N N 241 
ILE   O    O N N 242 
ILE   CB   C N S 243 
ILE   CG1  C N N 244 
ILE   CG2  C N N 245 
ILE   CD1  C N N 246 
ILE   OXT  O N N 247 
ILE   H    H N N 248 
ILE   H2   H N N 249 
ILE   HA   H N N 250 
ILE   HB   H N N 251 
ILE   HG12 H N N 252 
ILE   HG13 H N N 253 
ILE   HG21 H N N 254 
ILE   HG22 H N N 255 
ILE   HG23 H N N 256 
ILE   HD11 H N N 257 
ILE   HD12 H N N 258 
ILE   HD13 H N N 259 
ILE   HXT  H N N 260 
LEU   N    N N N 261 
LEU   CA   C N S 262 
LEU   C    C N N 263 
LEU   O    O N N 264 
LEU   CB   C N N 265 
LEU   CG   C N N 266 
LEU   CD1  C N N 267 
LEU   CD2  C N N 268 
LEU   OXT  O N N 269 
LEU   H    H N N 270 
LEU   H2   H N N 271 
LEU   HA   H N N 272 
LEU   HB2  H N N 273 
LEU   HB3  H N N 274 
LEU   HG   H N N 275 
LEU   HD11 H N N 276 
LEU   HD12 H N N 277 
LEU   HD13 H N N 278 
LEU   HD21 H N N 279 
LEU   HD22 H N N 280 
LEU   HD23 H N N 281 
LEU   HXT  H N N 282 
LYS   N    N N N 283 
LYS   CA   C N S 284 
LYS   C    C N N 285 
LYS   O    O N N 286 
LYS   CB   C N N 287 
LYS   CG   C N N 288 
LYS   CD   C N N 289 
LYS   CE   C N N 290 
LYS   NZ   N N N 291 
LYS   OXT  O N N 292 
LYS   H    H N N 293 
LYS   H2   H N N 294 
LYS   HA   H N N 295 
LYS   HB2  H N N 296 
LYS   HB3  H N N 297 
LYS   HG2  H N N 298 
LYS   HG3  H N N 299 
LYS   HD2  H N N 300 
LYS   HD3  H N N 301 
LYS   HE2  H N N 302 
LYS   HE3  H N N 303 
LYS   HZ1  H N N 304 
LYS   HZ2  H N N 305 
LYS   HZ3  H N N 306 
LYS   HXT  H N N 307 
MET   N    N N N 308 
MET   CA   C N S 309 
MET   C    C N N 310 
MET   O    O N N 311 
MET   CB   C N N 312 
MET   CG   C N N 313 
MET   SD   S N N 314 
MET   CE   C N N 315 
MET   OXT  O N N 316 
MET   H    H N N 317 
MET   H2   H N N 318 
MET   HA   H N N 319 
MET   HB2  H N N 320 
MET   HB3  H N N 321 
MET   HG2  H N N 322 
MET   HG3  H N N 323 
MET   HE1  H N N 324 
MET   HE2  H N N 325 
MET   HE3  H N N 326 
MET   HXT  H N N 327 
PHE   N    N N N 328 
PHE   CA   C N S 329 
PHE   C    C N N 330 
PHE   O    O N N 331 
PHE   CB   C N N 332 
PHE   CG   C Y N 333 
PHE   CD1  C Y N 334 
PHE   CD2  C Y N 335 
PHE   CE1  C Y N 336 
PHE   CE2  C Y N 337 
PHE   CZ   C Y N 338 
PHE   OXT  O N N 339 
PHE   H    H N N 340 
PHE   H2   H N N 341 
PHE   HA   H N N 342 
PHE   HB2  H N N 343 
PHE   HB3  H N N 344 
PHE   HD1  H N N 345 
PHE   HD2  H N N 346 
PHE   HE1  H N N 347 
PHE   HE2  H N N 348 
PHE   HZ   H N N 349 
PHE   HXT  H N N 350 
PRO   N    N N N 351 
PRO   CA   C N S 352 
PRO   C    C N N 353 
PRO   O    O N N 354 
PRO   CB   C N N 355 
PRO   CG   C N N 356 
PRO   CD   C N N 357 
PRO   OXT  O N N 358 
PRO   H    H N N 359 
PRO   HA   H N N 360 
PRO   HB2  H N N 361 
PRO   HB3  H N N 362 
PRO   HG2  H N N 363 
PRO   HG3  H N N 364 
PRO   HD2  H N N 365 
PRO   HD3  H N N 366 
PRO   HXT  H N N 367 
SER   N    N N N 368 
SER   CA   C N S 369 
SER   C    C N N 370 
SER   O    O N N 371 
SER   CB   C N N 372 
SER   OG   O N N 373 
SER   OXT  O N N 374 
SER   H    H N N 375 
SER   H2   H N N 376 
SER   HA   H N N 377 
SER   HB2  H N N 378 
SER   HB3  H N N 379 
SER   HG   H N N 380 
SER   HXT  H N N 381 
THR   N    N N N 382 
THR   CA   C N S 383 
THR   C    C N N 384 
THR   O    O N N 385 
THR   CB   C N R 386 
THR   OG1  O N N 387 
THR   CG2  C N N 388 
THR   OXT  O N N 389 
THR   H    H N N 390 
THR   H2   H N N 391 
THR   HA   H N N 392 
THR   HB   H N N 393 
THR   HG1  H N N 394 
THR   HG21 H N N 395 
THR   HG22 H N N 396 
THR   HG23 H N N 397 
THR   HXT  H N N 398 
TRP   N    N N N 399 
TRP   CA   C N S 400 
TRP   C    C N N 401 
TRP   O    O N N 402 
TRP   CB   C N N 403 
TRP   CG   C Y N 404 
TRP   CD1  C Y N 405 
TRP   CD2  C Y N 406 
TRP   NE1  N Y N 407 
TRP   CE2  C Y N 408 
TRP   CE3  C Y N 409 
TRP   CZ2  C Y N 410 
TRP   CZ3  C Y N 411 
TRP   CH2  C Y N 412 
TRP   OXT  O N N 413 
TRP   H    H N N 414 
TRP   H2   H N N 415 
TRP   HA   H N N 416 
TRP   HB2  H N N 417 
TRP   HB3  H N N 418 
TRP   HD1  H N N 419 
TRP   HE1  H N N 420 
TRP   HE3  H N N 421 
TRP   HZ2  H N N 422 
TRP   HZ3  H N N 423 
TRP   HH2  H N N 424 
TRP   HXT  H N N 425 
TYR   N    N N N 426 
TYR   CA   C N S 427 
TYR   C    C N N 428 
TYR   O    O N N 429 
TYR   CB   C N N 430 
TYR   CG   C Y N 431 
TYR   CD1  C Y N 432 
TYR   CD2  C Y N 433 
TYR   CE1  C Y N 434 
TYR   CE2  C Y N 435 
TYR   CZ   C Y N 436 
TYR   OH   O N N 437 
TYR   OXT  O N N 438 
TYR   H    H N N 439 
TYR   H2   H N N 440 
TYR   HA   H N N 441 
TYR   HB2  H N N 442 
TYR   HB3  H N N 443 
TYR   HD1  H N N 444 
TYR   HD2  H N N 445 
TYR   HE1  H N N 446 
TYR   HE2  H N N 447 
TYR   HH   H N N 448 
TYR   HXT  H N N 449 
VAL   N    N N N 450 
VAL   CA   C N S 451 
VAL   C    C N N 452 
VAL   O    O N N 453 
VAL   CB   C N N 454 
VAL   CG1  C N N 455 
VAL   CG2  C N N 456 
VAL   OXT  O N N 457 
VAL   H    H N N 458 
VAL   H2   H N N 459 
VAL   HA   H N N 460 
VAL   HB   H N N 461 
VAL   HG11 H N N 462 
VAL   HG12 H N N 463 
VAL   HG13 H N N 464 
VAL   HG21 H N N 465 
VAL   HG22 H N N 466 
VAL   HG23 H N N 467 
VAL   HXT  H N N 468 
# 
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 
A1IOC C26 C25  sing N N 1   
A1IOC C26 C27  sing N N 2   
A1IOC C18 C19  sing N N 3   
A1IOC C18 C17  sing N N 4   
A1IOC C25 C24  sing N N 5   
A1IOC C19 C20  sing N N 6   
A1IOC C20 C21  sing N N 7   
A1IOC C27 C28  sing N N 8   
A1IOC C17 N1   sing N N 9   
A1IOC C17 C16  sing N N 10  
A1IOC N1  C22  sing N N 11  
A1IOC N1  C21  sing N N 12  
A1IOC O7  C22  doub N N 13  
A1IOC C22 C23  sing N N 14  
A1IOC C24 C23  sing N N 15  
A1IOC C24 C29  sing N N 16  
A1IOC C28 C29  sing N N 17  
A1IOC C23 C4   sing N N 18  
A1IOC C16 O6   doub N N 19  
A1IOC C16 O5   sing N N 20  
A1IOC O5  C15  sing N N 21  
A1IOC C4  C5   doub Y N 22  
A1IOC C4  C3   sing Y N 23  
A1IOC C5  C6   sing Y N 24  
A1IOC C3  C2   doub Y N 25  
A1IOC C11 C12  sing N N 26  
A1IOC C11 O4   sing N N 27  
A1IOC C12 C13  doub N E 28  
A1IOC C15 C14  sing N N 29  
A1IOC C14 C13  sing N N 30  
A1IOC C6  O3   sing N N 31  
A1IOC C6  C7   doub Y N 32  
A1IOC O4  C10  sing N N 33  
A1IOC C9  C10  sing N N 34  
A1IOC C9  O3   sing N N 35  
A1IOC C2  C7   sing Y N 36  
A1IOC C2  O1   sing N N 37  
A1IOC C1  O1   sing N N 38  
A1IOC C7  O2   sing N N 39  
A1IOC O2  C8   sing N N 40  
A1IOC C14 H18  sing N N 41  
A1IOC C14 H17  sing N N 42  
A1IOC C5  H5   sing N N 43  
A1IOC C11 H14  sing N N 44  
A1IOC C11 H13  sing N N 45  
A1IOC C8  H7   sing N N 46  
A1IOC C8  H8   sing N N 47  
A1IOC C8  H6   sing N N 48  
A1IOC C9  H10  sing N N 49  
A1IOC C9  H9   sing N N 50  
A1IOC C10 H12  sing N N 51  
A1IOC C10 H11  sing N N 52  
A1IOC C12 H15  sing N N 53  
A1IOC C13 H16  sing N N 54  
A1IOC C3  H4   sing N N 55  
A1IOC C1  H2   sing N N 56  
A1IOC C1  H3   sing N N 57  
A1IOC C1  H1   sing N N 58  
A1IOC C15 H20  sing N N 59  
A1IOC C15 H19  sing N N 60  
A1IOC C17 H21  sing N N 61  
A1IOC C18 H23  sing N N 62  
A1IOC C18 H22  sing N N 63  
A1IOC C19 H24  sing N N 64  
A1IOC C19 H25  sing N N 65  
A1IOC C20 H26  sing N N 66  
A1IOC C20 H27  sing N N 67  
A1IOC C21 H28  sing N N 68  
A1IOC C21 H29  sing N N 69  
A1IOC C23 H30  sing N N 70  
A1IOC C24 H31  sing N N 71  
A1IOC C25 H33  sing N N 72  
A1IOC C25 H32  sing N N 73  
A1IOC C26 H34  sing N N 74  
A1IOC C26 H35  sing N N 75  
A1IOC C27 H36  sing N N 76  
A1IOC C27 H37  sing N N 77  
A1IOC C28 H38  sing N N 78  
A1IOC C28 H39  sing N N 79  
A1IOC C29 H41  sing N N 80  
A1IOC C29 H40  sing N N 81  
ALA   N   CA   sing N N 82  
ALA   N   H    sing N N 83  
ALA   N   H2   sing N N 84  
ALA   CA  C    sing N N 85  
ALA   CA  CB   sing N N 86  
ALA   CA  HA   sing N N 87  
ALA   C   O    doub N N 88  
ALA   C   OXT  sing N N 89  
ALA   CB  HB1  sing N N 90  
ALA   CB  HB2  sing N N 91  
ALA   CB  HB3  sing N N 92  
ALA   OXT HXT  sing N N 93  
ARG   N   CA   sing N N 94  
ARG   N   H    sing N N 95  
ARG   N   H2   sing N N 96  
ARG   CA  C    sing N N 97  
ARG   CA  CB   sing N N 98  
ARG   CA  HA   sing N N 99  
ARG   C   O    doub N N 100 
ARG   C   OXT  sing N N 101 
ARG   CB  CG   sing N N 102 
ARG   CB  HB2  sing N N 103 
ARG   CB  HB3  sing N N 104 
ARG   CG  CD   sing N N 105 
ARG   CG  HG2  sing N N 106 
ARG   CG  HG3  sing N N 107 
ARG   CD  NE   sing N N 108 
ARG   CD  HD2  sing N N 109 
ARG   CD  HD3  sing N N 110 
ARG   NE  CZ   sing N N 111 
ARG   NE  HE   sing N N 112 
ARG   CZ  NH1  sing N N 113 
ARG   CZ  NH2  doub N N 114 
ARG   NH1 HH11 sing N N 115 
ARG   NH1 HH12 sing N N 116 
ARG   NH2 HH21 sing N N 117 
ARG   NH2 HH22 sing N N 118 
ARG   OXT HXT  sing N N 119 
ASN   N   CA   sing N N 120 
ASN   N   H    sing N N 121 
ASN   N   H2   sing N N 122 
ASN   CA  C    sing N N 123 
ASN   CA  CB   sing N N 124 
ASN   CA  HA   sing N N 125 
ASN   C   O    doub N N 126 
ASN   C   OXT  sing N N 127 
ASN   CB  CG   sing N N 128 
ASN   CB  HB2  sing N N 129 
ASN   CB  HB3  sing N N 130 
ASN   CG  OD1  doub N N 131 
ASN   CG  ND2  sing N N 132 
ASN   ND2 HD21 sing N N 133 
ASN   ND2 HD22 sing N N 134 
ASN   OXT HXT  sing N N 135 
ASP   N   CA   sing N N 136 
ASP   N   H    sing N N 137 
ASP   N   H2   sing N N 138 
ASP   CA  C    sing N N 139 
ASP   CA  CB   sing N N 140 
ASP   CA  HA   sing N N 141 
ASP   C   O    doub N N 142 
ASP   C   OXT  sing N N 143 
ASP   CB  CG   sing N N 144 
ASP   CB  HB2  sing N N 145 
ASP   CB  HB3  sing N N 146 
ASP   CG  OD1  doub N N 147 
ASP   CG  OD2  sing N N 148 
ASP   OD2 HD2  sing N N 149 
ASP   OXT HXT  sing N N 150 
CYS   N   CA   sing N N 151 
CYS   N   H    sing N N 152 
CYS   N   H2   sing N N 153 
CYS   CA  C    sing N N 154 
CYS   CA  CB   sing N N 155 
CYS   CA  HA   sing N N 156 
CYS   C   O    doub N N 157 
CYS   C   OXT  sing N N 158 
CYS   CB  SG   sing N N 159 
CYS   CB  HB2  sing N N 160 
CYS   CB  HB3  sing N N 161 
CYS   SG  HG   sing N N 162 
CYS   OXT HXT  sing N N 163 
GLN   N   CA   sing N N 164 
GLN   N   H    sing N N 165 
GLN   N   H2   sing N N 166 
GLN   CA  C    sing N N 167 
GLN   CA  CB   sing N N 168 
GLN   CA  HA   sing N N 169 
GLN   C   O    doub N N 170 
GLN   C   OXT  sing N N 171 
GLN   CB  CG   sing N N 172 
GLN   CB  HB2  sing N N 173 
GLN   CB  HB3  sing N N 174 
GLN   CG  CD   sing N N 175 
GLN   CG  HG2  sing N N 176 
GLN   CG  HG3  sing N N 177 
GLN   CD  OE1  doub N N 178 
GLN   CD  NE2  sing N N 179 
GLN   NE2 HE21 sing N N 180 
GLN   NE2 HE22 sing N N 181 
GLN   OXT HXT  sing N N 182 
GLU   N   CA   sing N N 183 
GLU   N   H    sing N N 184 
GLU   N   H2   sing N N 185 
GLU   CA  C    sing N N 186 
GLU   CA  CB   sing N N 187 
GLU   CA  HA   sing N N 188 
GLU   C   O    doub N N 189 
GLU   C   OXT  sing N N 190 
GLU   CB  CG   sing N N 191 
GLU   CB  HB2  sing N N 192 
GLU   CB  HB3  sing N N 193 
GLU   CG  CD   sing N N 194 
GLU   CG  HG2  sing N N 195 
GLU   CG  HG3  sing N N 196 
GLU   CD  OE1  doub N N 197 
GLU   CD  OE2  sing N N 198 
GLU   OE2 HE2  sing N N 199 
GLU   OXT HXT  sing N N 200 
GLY   N   CA   sing N N 201 
GLY   N   H    sing N N 202 
GLY   N   H2   sing N N 203 
GLY   CA  C    sing N N 204 
GLY   CA  HA2  sing N N 205 
GLY   CA  HA3  sing N N 206 
GLY   C   O    doub N N 207 
GLY   C   OXT  sing N N 208 
GLY   OXT HXT  sing N N 209 
HIS   N   CA   sing N N 210 
HIS   N   H    sing N N 211 
HIS   N   H2   sing N N 212 
HIS   CA  C    sing N N 213 
HIS   CA  CB   sing N N 214 
HIS   CA  HA   sing N N 215 
HIS   C   O    doub N N 216 
HIS   C   OXT  sing N N 217 
HIS   CB  CG   sing N N 218 
HIS   CB  HB2  sing N N 219 
HIS   CB  HB3  sing N N 220 
HIS   CG  ND1  sing Y N 221 
HIS   CG  CD2  doub Y N 222 
HIS   ND1 CE1  doub Y N 223 
HIS   ND1 HD1  sing N N 224 
HIS   CD2 NE2  sing Y N 225 
HIS   CD2 HD2  sing N N 226 
HIS   CE1 NE2  sing Y N 227 
HIS   CE1 HE1  sing N N 228 
HIS   NE2 HE2  sing N N 229 
HIS   OXT HXT  sing N N 230 
HOH   O   H1   sing N N 231 
HOH   O   H2   sing N N 232 
ILE   N   CA   sing N N 233 
ILE   N   H    sing N N 234 
ILE   N   H2   sing N N 235 
ILE   CA  C    sing N N 236 
ILE   CA  CB   sing N N 237 
ILE   CA  HA   sing N N 238 
ILE   C   O    doub N N 239 
ILE   C   OXT  sing N N 240 
ILE   CB  CG1  sing N N 241 
ILE   CB  CG2  sing N N 242 
ILE   CB  HB   sing N N 243 
ILE   CG1 CD1  sing N N 244 
ILE   CG1 HG12 sing N N 245 
ILE   CG1 HG13 sing N N 246 
ILE   CG2 HG21 sing N N 247 
ILE   CG2 HG22 sing N N 248 
ILE   CG2 HG23 sing N N 249 
ILE   CD1 HD11 sing N N 250 
ILE   CD1 HD12 sing N N 251 
ILE   CD1 HD13 sing N N 252 
ILE   OXT HXT  sing N N 253 
LEU   N   CA   sing N N 254 
LEU   N   H    sing N N 255 
LEU   N   H2   sing N N 256 
LEU   CA  C    sing N N 257 
LEU   CA  CB   sing N N 258 
LEU   CA  HA   sing N N 259 
LEU   C   O    doub N N 260 
LEU   C   OXT  sing N N 261 
LEU   CB  CG   sing N N 262 
LEU   CB  HB2  sing N N 263 
LEU   CB  HB3  sing N N 264 
LEU   CG  CD1  sing N N 265 
LEU   CG  CD2  sing N N 266 
LEU   CG  HG   sing N N 267 
LEU   CD1 HD11 sing N N 268 
LEU   CD1 HD12 sing N N 269 
LEU   CD1 HD13 sing N N 270 
LEU   CD2 HD21 sing N N 271 
LEU   CD2 HD22 sing N N 272 
LEU   CD2 HD23 sing N N 273 
LEU   OXT HXT  sing N N 274 
LYS   N   CA   sing N N 275 
LYS   N   H    sing N N 276 
LYS   N   H2   sing N N 277 
LYS   CA  C    sing N N 278 
LYS   CA  CB   sing N N 279 
LYS   CA  HA   sing N N 280 
LYS   C   O    doub N N 281 
LYS   C   OXT  sing N N 282 
LYS   CB  CG   sing N N 283 
LYS   CB  HB2  sing N N 284 
LYS   CB  HB3  sing N N 285 
LYS   CG  CD   sing N N 286 
LYS   CG  HG2  sing N N 287 
LYS   CG  HG3  sing N N 288 
LYS   CD  CE   sing N N 289 
LYS   CD  HD2  sing N N 290 
LYS   CD  HD3  sing N N 291 
LYS   CE  NZ   sing N N 292 
LYS   CE  HE2  sing N N 293 
LYS   CE  HE3  sing N N 294 
LYS   NZ  HZ1  sing N N 295 
LYS   NZ  HZ2  sing N N 296 
LYS   NZ  HZ3  sing N N 297 
LYS   OXT HXT  sing N N 298 
MET   N   CA   sing N N 299 
MET   N   H    sing N N 300 
MET   N   H2   sing N N 301 
MET   CA  C    sing N N 302 
MET   CA  CB   sing N N 303 
MET   CA  HA   sing N N 304 
MET   C   O    doub N N 305 
MET   C   OXT  sing N N 306 
MET   CB  CG   sing N N 307 
MET   CB  HB2  sing N N 308 
MET   CB  HB3  sing N N 309 
MET   CG  SD   sing N N 310 
MET   CG  HG2  sing N N 311 
MET   CG  HG3  sing N N 312 
MET   SD  CE   sing N N 313 
MET   CE  HE1  sing N N 314 
MET   CE  HE2  sing N N 315 
MET   CE  HE3  sing N N 316 
MET   OXT HXT  sing N N 317 
PHE   N   CA   sing N N 318 
PHE   N   H    sing N N 319 
PHE   N   H2   sing N N 320 
PHE   CA  C    sing N N 321 
PHE   CA  CB   sing N N 322 
PHE   CA  HA   sing N N 323 
PHE   C   O    doub N N 324 
PHE   C   OXT  sing N N 325 
PHE   CB  CG   sing N N 326 
PHE   CB  HB2  sing N N 327 
PHE   CB  HB3  sing N N 328 
PHE   CG  CD1  doub Y N 329 
PHE   CG  CD2  sing Y N 330 
PHE   CD1 CE1  sing Y N 331 
PHE   CD1 HD1  sing N N 332 
PHE   CD2 CE2  doub Y N 333 
PHE   CD2 HD2  sing N N 334 
PHE   CE1 CZ   doub Y N 335 
PHE   CE1 HE1  sing N N 336 
PHE   CE2 CZ   sing Y N 337 
PHE   CE2 HE2  sing N N 338 
PHE   CZ  HZ   sing N N 339 
PHE   OXT HXT  sing N N 340 
PRO   N   CA   sing N N 341 
PRO   N   CD   sing N N 342 
PRO   N   H    sing N N 343 
PRO   CA  C    sing N N 344 
PRO   CA  CB   sing N N 345 
PRO   CA  HA   sing N N 346 
PRO   C   O    doub N N 347 
PRO   C   OXT  sing N N 348 
PRO   CB  CG   sing N N 349 
PRO   CB  HB2  sing N N 350 
PRO   CB  HB3  sing N N 351 
PRO   CG  CD   sing N N 352 
PRO   CG  HG2  sing N N 353 
PRO   CG  HG3  sing N N 354 
PRO   CD  HD2  sing N N 355 
PRO   CD  HD3  sing N N 356 
PRO   OXT HXT  sing N N 357 
SER   N   CA   sing N N 358 
SER   N   H    sing N N 359 
SER   N   H2   sing N N 360 
SER   CA  C    sing N N 361 
SER   CA  CB   sing N N 362 
SER   CA  HA   sing N N 363 
SER   C   O    doub N N 364 
SER   C   OXT  sing N N 365 
SER   CB  OG   sing N N 366 
SER   CB  HB2  sing N N 367 
SER   CB  HB3  sing N N 368 
SER   OG  HG   sing N N 369 
SER   OXT HXT  sing N N 370 
THR   N   CA   sing N N 371 
THR   N   H    sing N N 372 
THR   N   H2   sing N N 373 
THR   CA  C    sing N N 374 
THR   CA  CB   sing N N 375 
THR   CA  HA   sing N N 376 
THR   C   O    doub N N 377 
THR   C   OXT  sing N N 378 
THR   CB  OG1  sing N N 379 
THR   CB  CG2  sing N N 380 
THR   CB  HB   sing N N 381 
THR   OG1 HG1  sing N N 382 
THR   CG2 HG21 sing N N 383 
THR   CG2 HG22 sing N N 384 
THR   CG2 HG23 sing N N 385 
THR   OXT HXT  sing N N 386 
TRP   N   CA   sing N N 387 
TRP   N   H    sing N N 388 
TRP   N   H2   sing N N 389 
TRP   CA  C    sing N N 390 
TRP   CA  CB   sing N N 391 
TRP   CA  HA   sing N N 392 
TRP   C   O    doub N N 393 
TRP   C   OXT  sing N N 394 
TRP   CB  CG   sing N N 395 
TRP   CB  HB2  sing N N 396 
TRP   CB  HB3  sing N N 397 
TRP   CG  CD1  doub Y N 398 
TRP   CG  CD2  sing Y N 399 
TRP   CD1 NE1  sing Y N 400 
TRP   CD1 HD1  sing N N 401 
TRP   CD2 CE2  doub Y N 402 
TRP   CD2 CE3  sing Y N 403 
TRP   NE1 CE2  sing Y N 404 
TRP   NE1 HE1  sing N N 405 
TRP   CE2 CZ2  sing Y N 406 
TRP   CE3 CZ3  doub Y N 407 
TRP   CE3 HE3  sing N N 408 
TRP   CZ2 CH2  doub Y N 409 
TRP   CZ2 HZ2  sing N N 410 
TRP   CZ3 CH2  sing Y N 411 
TRP   CZ3 HZ3  sing N N 412 
TRP   CH2 HH2  sing N N 413 
TRP   OXT HXT  sing N N 414 
TYR   N   CA   sing N N 415 
TYR   N   H    sing N N 416 
TYR   N   H2   sing N N 417 
TYR   CA  C    sing N N 418 
TYR   CA  CB   sing N N 419 
TYR   CA  HA   sing N N 420 
TYR   C   O    doub N N 421 
TYR   C   OXT  sing N N 422 
TYR   CB  CG   sing N N 423 
TYR   CB  HB2  sing N N 424 
TYR   CB  HB3  sing N N 425 
TYR   CG  CD1  doub Y N 426 
TYR   CG  CD2  sing Y N 427 
TYR   CD1 CE1  sing Y N 428 
TYR   CD1 HD1  sing N N 429 
TYR   CD2 CE2  doub Y N 430 
TYR   CD2 HD2  sing N N 431 
TYR   CE1 CZ   doub Y N 432 
TYR   CE1 HE1  sing N N 433 
TYR   CE2 CZ   sing Y N 434 
TYR   CE2 HE2  sing N N 435 
TYR   CZ  OH   sing N N 436 
TYR   OH  HH   sing N N 437 
TYR   OXT HXT  sing N N 438 
VAL   N   CA   sing N N 439 
VAL   N   H    sing N N 440 
VAL   N   H2   sing N N 441 
VAL   CA  C    sing N N 442 
VAL   CA  CB   sing N N 443 
VAL   CA  HA   sing N N 444 
VAL   C   O    doub N N 445 
VAL   C   OXT  sing N N 446 
VAL   CB  CG1  sing N N 447 
VAL   CB  CG2  sing N N 448 
VAL   CB  HB   sing N N 449 
VAL   CG1 HG11 sing N N 450 
VAL   CG1 HG12 sing N N 451 
VAL   CG1 HG13 sing N N 452 
VAL   CG2 HG21 sing N N 453 
VAL   CG2 HG22 sing N N 454 
VAL   CG2 HG23 sing N N 455 
VAL   OXT HXT  sing N N 456 
# 
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                    9GQF 
_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]   0.020544 
_atom_sites.fract_transf_matrix[1][2]   0.011861 
_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]   0.023722 
_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]   0.005110 
_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   ? -2.791  5.009   3.723   1   34.516 ? 13  GLY   B N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? -3.939  5.758   3.19    1   33.589 ? 13  GLY   B CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? -5.235  5.019   3.428   1   32.983 ? 13  GLY   B C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? -5.257  3.941   4.044   1   30.106 ? 13  GLY   B O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? -2.025  5.467   3.571   1   36.089 ? 13  GLY   B H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? -2.734  4.201   3.32    1   33.528 ? 13  GLY   B H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? -2.888  4.887   4.614   1   34.791 ? 13  GLY   B H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? -3.978  6.642   3.624   1   35.187 ? 13  GLY   B HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? -3.812  5.899   2.222   1   33.887 ? 13  GLY   B HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? -6.32   5.588   2.884   1   31.322 ? 14  ALA   B N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? -7.621  4.987   3.015   1   30.869 ? 14  ALA   B CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? -7.617  3.519   2.57    1   26.97  ? 14  ALA   B C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -8.291  2.704   3.209   1   26.302 ? 14  ALA   B O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -8.644  5.83    2.214   1   34.729 ? 14  ALA   B CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? -6.236  6.372   2.422   1   32.686 ? 14  ALA   B H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -7.872  5.013   3.979   1   31.165 ? 14  ALA   B HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -8.782  6.684   2.657   1   34.432 ? 14  ALA   B HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -8.31   5.986   1.315   1   33.534 ? 14  ALA   B HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -9.49   5.355   2.164   1   32.186 ? 14  ALA   B HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? -7.04   3.078   1.43    1   24.862 ? 15  PRO   B N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? -7.113  1.653   1.116   1   25.823 ? 15  PRO   B CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? -6.514  0.732   2.192   1   25.788 ? 15  PRO   B C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? -7.114  -0.28   2.531   1   25.513 ? 15  PRO   B O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? -6.444  1.518   -0.216  1   27.111 ? 15  PRO   B CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? -6.669  2.922   -0.827  1   28.347 ? 15  PRO   B CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? -6.492  3.857   0.307   1   29.571 ? 15  PRO   B CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -8.056  1.413   0.999   1   24.485 ? 15  PRO   B HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? -5.492  1.323   -0.117  1   27.759 ? 15  PRO   B HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? -6.87   0.824   -0.757  1   25.978 ? 15  PRO   B HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? -6.016  3.106   -1.531  1   29.11  ? 15  PRO   B HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? -7.569  3.001   -1.201  1   27.484 ? 15  PRO   B HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? -5.551  4.07    0.454   1   29.905 ? 15  PRO   B HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? -6.996  4.682   0.172   1   29.001 ? 15  PRO   B HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? -5.321  1.048   2.672   1   25.77  ? 16  ALA   B N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? -4.707  0.284   3.754   1   27.729 ? 16  ALA   B CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? -5.584  0.312   5.012   1   26.885 ? 16  ALA   B C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? -5.678  -0.692  5.719   1   25.255 ? 16  ALA   B O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? -3.263  0.726   4.015   1   32.388 ? 16  ALA   B CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? -4.866  1.758   2.319   1   27.328 ? 16  ALA   B H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? -4.674  -0.665  3.451   1   27.13  ? 16  ALA   B HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? -2.732  0.6     3.211   1   31.768 ? 16  ALA   B HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? -3.249  1.666   4.264   1   32.509 ? 16  ALA   B HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? -2.884  0.197   4.737   1   32.225 ? 16  ALA   B HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? -6.246  1.416   5.323   1   24.357 ? 17  THR   B N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? -7.098  1.448   6.494   1   24.553 ? 17  THR   B CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -8.249  0.436   6.284   1   24.114 ? 17  THR   B C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -8.647  -0.223  7.224   1   24.294 ? 17  THR   B O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -7.666  2.844   6.767   1   28.694 ? 17  THR   B CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? -6.532  3.7     7.003   1   30.144 ? 17  THR   B OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -8.597  2.91    7.964   1   28.101 ? 17  THR   B CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? -6.167  2.165   4.805   1   25.269 ? 17  THR   B H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? -6.568  1.169   7.273   1   26.396 ? 17  THR   B HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -8.151  3.161   5.968   1   26.888 ? 17  THR   B HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? -6.112  3.393   7.712   0   30     ? 17  THR   B HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -8.68   3.832   8.26    1   29.405 ? 17  THR   B HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -8.236  2.371   8.687   1   29.065 ? 17  THR   B HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -9.473  2.571   7.714   1   27.251 ? 17  THR   B HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -8.784  0.35    5.092   1   20.823 ? 18  VAL   B N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -9.883  -0.609  4.866   1   20.616 ? 18  VAL   B CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -9.333  -2.043  4.954   1   20.557 ? 18  VAL   B C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -9.946  -2.94   5.53    1   19.161 ? 18  VAL   B O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -10.624 -0.445  3.532   1   20.838 ? 18  VAL   B CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -11.712 -1.471  3.449   1   20.074 ? 18  VAL   B CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -11.201 0.961   3.403   1   24.058 ? 18  VAL   B CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -8.491  0.874   4.404   1   21.582 ? 18  VAL   B H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -10.534 -0.492  5.584   1   20.925 ? 18  VAL   B HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -9.976  -0.599  2.805   1   20.95  ? 18  VAL   B HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -12.117 -1.591  4.325   1   20.375 ? 18  VAL   B HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -11.34  -2.316  3.146   1   19.713 ? 18  VAL   B HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -12.39  -1.174  2.819   1   19.585 ? 18  VAL   B HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -11.669 1.044   2.556   1   22.566 ? 18  VAL   B HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -10.483 1.613   3.44    1   23.901 ? 18  VAL   B HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -11.822 1.125   4.133   1   23.416 ? 18  VAL   B HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -8.192  -2.316  4.375   1   19.624 ? 19  THR   B N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? -7.526  -3.615  4.544   1   20.053 ? 19  THR   B CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? -7.436  -3.974  6.033   1   20.752 ? 19  THR   B C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -7.799  -5.078  6.434   1   22.116 ? 19  THR   B O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? -6.115  -3.696  3.957   1   21.522 ? 19  THR   B CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? -6.285  -3.42   2.571   1   21.395 ? 19  THR   B OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? -5.377  -4.975  4.305   1   23.076 ? 19  THR   B CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? -7.796  -1.686  3.845   1   20.109 ? 19  THR   B H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -8.079  -4.293  4.099   1   19.217 ? 19  THR   B HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? -5.589  -2.96   4.351   1   22.654 ? 19  THR   B HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? -6.782  -4.019  2.223   0   30     ? 19  THR   B HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? -4.695  -5.148  3.634   1   22.997 ? 19  THR   B HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? -6.003  -5.717  4.327   1   22.171 ? 19  THR   B HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? -4.955  -4.881  5.176   1   23.878 ? 19  THR   B HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? -6.981  -3.088  6.873   1   21.239 ? 20  GLU   B N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? -6.699  -3.419  8.265   1   23.288 ? 20  GLU   B CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -8.011  -3.517  9.056   1   23.68  ? 20  GLU   B C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -8.037  -4.233  10.056  1   23.95  ? 20  GLU   B O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? -5.794  -2.345  8.883   1   27.875 ? 20  GLU   B CB   1 ? 1 
ATOM   93   C CG   . GLU   A 1 8   ? -4.38   -2.398  8.294   1   33.165 ? 20  GLU   B CG   1 ? 1 
ATOM   94   C CD   . GLU   A 1 8   ? -3.345  -1.412  8.843   1   42.031 ? 20  GLU   B CD   1 ? 1 
ATOM   95   O OE1  . GLU   A 1 8   ? -3.503  -0.904  10.019  1   47.002 ? 20  GLU   B OE1  1 ? 1 
ATOM   96   O OE2  . GLU   A 1 8   ? -2.304  -1.197  8.081   1   41.978 ? 20  GLU   B OE2  1 ? 1 
ATOM   97   H H    . GLU   A 1 8   ? -6.83   -2.234  6.585   1   21.682 ? 20  GLU   B H    1 c 1 
ATOM   98   H HA   . GLU   A 1 8   ? -6.236  -4.295  8.297   1   24.028 ? 20  GLU   B HA   1 c 1 
ATOM   99   H HB2  . GLU   A 1 8   ? -6.188  -1.462  8.721   1   27.809 ? 20  GLU   B HB2  1 c 1 
ATOM   100  H HB3  . GLU   A 1 8   ? -5.751  -2.482  9.853   1   29.28  ? 20  GLU   B HB3  1 c 1 
ATOM   101  H HG2  . GLU   A 1 8   ? -4.027  -3.304  8.423   1   33.514 ? 20  GLU   B HG2  1 c 1 
ATOM   102  H HG3  . GLU   A 1 8   ? -4.443  -2.258  7.326   1   32.13  ? 20  GLU   B HG3  1 c 1 
ATOM   103  N N    . GLN   A 1 9   ? -8.989  -2.633  8.789   1   21.328 ? 21  GLN   B N    1 ? 1 
ATOM   104  C CA   . GLN   A 1 9   ? -10.076 -2.36   9.701   1   23.196 ? 21  GLN   B CA   1 ? 1 
ATOM   105  C C    . GLN   A 1 9   ? -11.475 -2.644  9.132   1   20.849 ? 21  GLN   B C    1 ? 1 
ATOM   106  O O    . GLN   A 1 9   ? -12.45  -2.615  9.887   1   24.153 ? 21  GLN   B O    1 ? 1 
ATOM   107  C CB   . GLN   A 1 9   ? -10.056 -0.915  10.194  1   24.053 ? 21  GLN   B CB   1 ? 1 
ATOM   108  C CG   . GLN   A 1 9   ? -8.749  -0.407  10.804  1   27.916 ? 21  GLN   B CG   1 ? 1 
ATOM   109  C CD   . GLN   A 1 9   ? -8.832  1.04    11.212  1   29.174 ? 21  GLN   B CD   1 ? 1 
ATOM   110  O OE1  . GLN   A 1 9   ? -9.9    1.642   11.281  1   30.975 ? 21  GLN   B OE1  1 ? 1 
ATOM   111  N NE2  . GLN   A 1 9   ? -7.708  1.578   11.6    1   31.501 ? 21  GLN   B NE2  1 ? 1 
ATOM   112  H H    . GLN   A 1 9   ? -8.957  -2.169  8.003   1   21.213 ? 21  GLN   B H    1 c 1 
ATOM   113  H HA   . GLN   A 1 9   ? -9.957  -2.936  10.497  1   23.742 ? 21  GLN   B HA   1 c 1 
ATOM   114  H HB2  . GLN   A 1 9   ? -10.288 -0.336  9.438   1   23.66  ? 21  GLN   B HB2  1 c 1 
ATOM   115  H HB3  . GLN   A 1 9   ? -10.766 -0.816  10.862  1   25.167 ? 21  GLN   B HB3  1 c 1 
ATOM   116  H HG2  . GLN   A 1 9   ? -8.526  -0.948  11.591  1   28.514 ? 21  GLN   B HG2  1 c 1 
ATOM   117  H HG3  . GLN   A 1 9   ? -8.023  -0.512  10.153  1   26.996 ? 21  GLN   B HG3  1 c 1 
ATOM   118  H HE21 . GLN   A 1 9   ? -7.659  2.455   11.728  1   32.149 ? 21  GLN   B HE21 1 c 1 
ATOM   119  H HE22 . GLN   A 1 9   ? -6.993  1.07    11.735  1   31.822 ? 21  GLN   B HE22 1 c 1 
ATOM   120  N N    . GLY   A 1 10  ? -11.578 -2.87   7.849   1   20.252 ? 22  GLY   B N    1 ? 1 
ATOM   121  C CA   . GLY   A 1 10  ? -12.898 -3.064  7.248   1   20.281 ? 22  GLY   B CA   1 ? 1 
ATOM   122  C C    . GLY   A 1 10  ? -13.551 -4.4    7.607   1   18.573 ? 22  GLY   B C    1 ? 1 
ATOM   123  O O    . GLY   A 1 10  ? -12.872 -5.402  7.774   1   18.811 ? 22  GLY   B O    1 ? 1 
ATOM   124  H H    . GLY   A 1 10  ? -10.835 -2.912  7.319   1   19.933 ? 22  GLY   B H    1 c 1 
ATOM   125  H HA2  . GLY   A 1 10  ? -13.486 -2.328  7.537   1   19.88  ? 22  GLY   B HA2  1 c 1 
ATOM   126  H HA3  . GLY   A 1 10  ? -12.808 -3.004  6.268   1   18.645 ? 22  GLY   B HA3  1 c 1 
ATOM   127  N N    . GLU   A 1 11  ? -14.869 -4.366  7.551   1   18.244 ? 23  GLU   B N    1 ? 1 
ATOM   128  C CA   . GLU   A 1 11  ? -15.719 -5.547  7.716   1   18.839 ? 23  GLU   B CA   1 ? 1 
ATOM   129  C C    . GLU   A 1 11  ? -15.828 -6.269  6.398   1   17.321 ? 23  GLU   B C    1 ? 1 
ATOM   130  O O    . GLU   A 1 11  ? -16.035 -5.646  5.37    1   18.031 ? 23  GLU   B O    1 ? 1 
ATOM   131  C CB   . GLU   A 1 11  ? -17.092 -5.011  8.193   1   21.27  ? 23  GLU   B CB   1 ? 1 
ATOM   132  C CG   . GLU   A 1 11  ? -18.141 -6.082  8.421   1   24.718 ? 23  GLU   B CG   1 ? 1 
ATOM   133  C CD   . GLU   A 1 11  ? -19.502 -5.531  8.816   1   35.913 ? 23  GLU   B CD   1 ? 1 
ATOM   134  O OE1  . GLU   A 1 11  ? -19.671 -4.3    9.03    1   36.898 ? 23  GLU   B OE1  1 ? 1 
ATOM   135  O OE2  . GLU   A 1 11  ? -20.423 -6.39   8.869   1   34.418 ? 23  GLU   B OE2  1 ? 1 
ATOM   136  H H    . GLU   A 1 11  ? -15.276 -3.562  7.397   1   18.262 ? 23  GLU   B H    1 c 1 
ATOM   137  H HA   . GLU   A 1 11  ? -15.319 -6.144  8.399   1   19.856 ? 23  GLU   B HA   1 c 1 
ATOM   138  H HB2  . GLU   A 1 11  ? -16.962 -4.515  9.028   1   22.398 ? 23  GLU   B HB2  1 c 1 
ATOM   139  H HB3  . GLU   A 1 11  ? -17.432 -4.381  7.523   1   20.74  ? 23  GLU   B HB3  1 c 1 
ATOM   140  H HG2  . GLU   A 1 11  ? -18.245 -6.611  7.602   1   25.129 ? 23  GLU   B HG2  1 c 1 
ATOM   141  H HG3  . GLU   A 1 11  ? -17.832 -6.687  9.129   1   26.854 ? 23  GLU   B HG3  1 c 1 
ATOM   142  N N    . ASP   A 1 12  ? -15.765 -7.615  6.466   1   17.955 ? 24  ASP   B N    1 ? 1 
ATOM   143  C CA   . ASP   A 1 12  ? -15.955 -8.451  5.286   1   15.862 ? 24  ASP   B CA   1 ? 1 
ATOM   144  C C    . ASP   A 1 12  ? -17.466 -8.651  5.096   1   18.317 ? 24  ASP   B C    1 ? 1 
ATOM   145  O O    . ASP   A 1 12  ? -18.117 -9.265  5.936   1   20.321 ? 24  ASP   B O    1 ? 1 
ATOM   146  C CB   . ASP   A 1 12  ? -15.261 -9.786  5.505   1   18.573 ? 24  ASP   B CB   1 ? 1 
ATOM   147  C CG   . ASP   A 1 12  ? -15.286 -10.703 4.308   1   17.157 ? 24  ASP   B CG   1 ? 1 
ATOM   148  O OD1  . ASP   A 1 12  ? -15.992 -10.312 3.3     1   18.28  ? 24  ASP   B OD1  1 ? 1 
ATOM   149  O OD2  . ASP   A 1 12  ? -14.672 -11.757 4.369   1   17.886 ? 24  ASP   B OD2  1 ? 1 
ATOM   150  H H    . ASP   A 1 12  ? -15.601 -8.018  7.27    1   18.553 ? 24  ASP   B H    1 c 1 
ATOM   151  H HA   . ASP   A 1 12  ? -15.578 -7.995  4.502   1   16.016 ? 24  ASP   B HA   1 c 1 
ATOM   152  H HB2  . ASP   A 1 12  ? -14.325 -9.619  5.743   1   17.889 ? 24  ASP   B HB2  1 c 1 
ATOM   153  H HB3  . ASP   A 1 12  ? -15.686 -10.249 6.257   1   18.919 ? 24  ASP   B HB3  1 c 1 
ATOM   154  N N    . ILE   A 1 13  ? -18.017 -8.031  4.042   1   18.734 ? 25  ILE   B N    1 ? 1 
ATOM   155  C CA   . ILE   A 1 13  ? -19.433 -8.074  3.824   1   20.397 ? 25  ILE   B CA   1 ? 1 
ATOM   156  C C    . ILE   A 1 13  ? -19.778 -9.108  2.736   1   20.947 ? 25  ILE   B C    1 ? 1 
ATOM   157  O O    . ILE   A 1 13  ? -20.92  -9.116  2.241   1   21.882 ? 25  ILE   B O    1 ? 1 
ATOM   158  C CB   . ILE   A 1 13  ? -19.984 -6.683  3.555   1   21.462 ? 25  ILE   B CB   1 ? 1 
ATOM   159  C CG1  . ILE   A 1 13  ? -19.375 -6.043  2.246   1   18.784 ? 25  ILE   B CG1  1 ? 1 
ATOM   160  C CG2  . ILE   A 1 13  ? -19.842 -5.703  4.752   1   22.339 ? 25  ILE   B CG2  1 ? 1 
ATOM   161  C CD1  . ILE   A 1 13  ? -20.235 -4.867  1.84    1   22.019 ? 25  ILE   B CD1  1 ? 1 
ATOM   162  H H    . ILE   A 1 13  ? -17.487 -7.581  3.449   1   17.859 ? 25  ILE   B H    1 c 1 
ATOM   163  H HA   . ILE   A 1 13  ? -19.845 -8.384  4.653   1   21.499 ? 25  ILE   B HA   1 c 1 
ATOM   164  H HB   . ILE   A 1 13  ? -20.943 -6.79   3.394   1   21.542 ? 25  ILE   B HB   1 c 1 
ATOM   165  H HG12 . ILE   A 1 13  ? -18.461 -5.74   2.42    1   19.353 ? 25  ILE   B HG12 1 c 1 
ATOM   166  H HG13 . ILE   A 1 13  ? -19.359 -6.706  1.527   1   19.581 ? 25  ILE   B HG13 1 c 1 
ATOM   167  H HG21 . ILE   A 1 13  ? -20.485 -4.98   4.661   1   22.422 ? 25  ILE   B HG21 1 c 1 
ATOM   168  H HG22 . ILE   A 1 13  ? -18.943 -5.335  4.767   1   21.722 ? 25  ILE   B HG22 1 c 1 
ATOM   169  H HG23 . ILE   A 1 13  ? -20.008 -6.179  5.584   1   23.14  ? 25  ILE   B HG23 1 c 1 
ATOM   170  H HD11 . ILE   A 1 13  ? -21.176 -5.124  1.85    1   21.636 ? 25  ILE   B HD11 1 c 1 
ATOM   171  H HD12 . ILE   A 1 13  ? -19.987 -4.586  0.939   1   20.475 ? 25  ILE   B HD12 1 c 1 
ATOM   172  H HD13 . ILE   A 1 13  ? -20.095 -4.126  2.459   1   21.158 ? 25  ILE   B HD13 1 c 1 
ATOM   173  N N    . THR   A 1 14  ? -18.865 -9.974  2.361   1   18.849 ? 26  THR   B N    1 ? 1 
ATOM   174  C CA   . THR   A 1 14  ? -19.149 -11.027 1.386   1   20.246 ? 26  THR   B CA   1 ? 1 
ATOM   175  C C    . THR   A 1 14  ? -19.86  -12.199 2.058   1   25.192 ? 26  THR   B C    1 ? 1 
ATOM   176  O O    . THR   A 1 14  ? -19.609 -12.511 3.251   1   23.468 ? 26  THR   B O    1 ? 1 
ATOM   177  C CB   . THR   A 1 14  ? -17.899 -11.542 0.661   1   19.057 ? 26  THR   B CB   1 ? 1 
ATOM   178  O OG1  . THR   A 1 14  ? -17.02  -12.176 1.581   1   18.933 ? 26  THR   B OG1  1 ? 1 
ATOM   179  C CG2  . THR   A 1 14  ? -17.2   -10.439 -0.116  1   17.241 ? 26  THR   B CG2  1 ? 1 
ATOM   180  H H    . THR   A 1 14  ? -18.024 -9.923  2.714   1   19.246 ? 26  THR   B H    1 c 1 
ATOM   181  H HA   . THR   A 1 14  ? -19.752 -10.651 0.709   1   20.394 ? 26  THR   B HA   1 c 1 
ATOM   182  H HB   . THR   A 1 14  ? -18.191 -12.215 0.001   1   19.386 ? 26  THR   B HB   1 c 1 
ATOM   183  H HG1  . THR   A 1 14  ? -16.794 -11.594 2.197   0   30     ? 26  THR   B HG1  1 c 1 
ATOM   184  H HG21 . THR   A 1 14  ? -16.394 -10.792 -0.529  1   17.256 ? 26  THR   B HG21 1 c 1 
ATOM   185  H HG22 . THR   A 1 14  ? -16.963 -9.716  0.488   1   17.145 ? 26  THR   B HG22 1 c 1 
ATOM   186  H HG23 . THR   A 1 14  ? -17.795 -10.101 -0.807  1   17.322 ? 26  THR   B HG23 1 c 1 
ATOM   187  N N    . SER   A 1 15  ? -20.727 -12.872 1.281   1   23.013 ? 27  SER   B N    1 ? 1 
ATOM   188  C CA   . SER   A 1 15  ? -21.387 -14.082 1.735   1   25.471 ? 27  SER   B CA   1 ? 1 
ATOM   189  C C    . SER   A 1 15  ? -20.379 -15.211 1.973   1   24.838 ? 27  SER   B C    1 ? 1 
ATOM   190  O O    . SER   A 1 15  ? -20.536 -15.995 2.854   1   25.288 ? 27  SER   B O    1 ? 1 
ATOM   191  C CB   . SER   A 1 15  ? -22.464 -14.547 0.737   1   27.614 ? 27  SER   B CB   1 ? 1 
ATOM   192  O OG   . SER   A 1 15  ? -23.403 -13.48  0.626   1   30.561 ? 27  SER   B OG   1 ? 1 
ATOM   193  H H    . SER   A 1 15  ? -20.908 -12.562 0.441   1   23.339 ? 27  SER   B H    1 c 1 
ATOM   194  H HA   . SER   A 1 15  ? -21.831 -13.881 2.598   1   26.053 ? 27  SER   B HA   1 c 1 
ATOM   195  H HB2  . SER   A 1 15  ? -22.058 -14.73  -0.131  1   27.52  ? 27  SER   B HB2  1 c 1 
ATOM   196  H HB3  . SER   A 1 15  ? -22.9   -15.35  1.066   1   29.505 ? 27  SER   B HB3  1 c 1 
ATOM   197  H HG   . SER   A 1 15  ? -24.012 -13.724 0.087   0   30     ? 27  SER   B HG   1 c 1 
ATOM   198  N N    . LYS   A 1 16  ? -19.38  -15.335 1.102   1   23.322 ? 28  LYS   B N    1 ? 1 
ATOM   199  C CA   . LYS   A 1 16  ? -18.37  -16.369 1.196   1   25.489 ? 28  LYS   B CA   1 ? 1 
ATOM   200  C C    . LYS   A 1 16  ? -17.316 -16.049 2.257   1   22.983 ? 28  LYS   B C    1 ? 1 
ATOM   201  O O    . LYS   A 1 16  ? -16.525 -16.905 2.565   1   23.389 ? 28  LYS   B O    1 ? 1 
ATOM   202  C CB   . LYS   A 1 16  ? -17.667 -16.549 -0.147  1   27.468 ? 28  LYS   B CB   1 ? 1 
ATOM   203  C CG   . LYS   A 1 16  ? -18.357 -17.455 -1.169  1   37.338 ? 28  LYS   B CG   1 ? 1 
ATOM   204  C CD   . LYS   A 1 16  ? -17.35  -17.721 -2.275  1   45.781 ? 28  LYS   B CD   1 ? 1 
ATOM   205  C CE   . LYS   A 1 16  ? -17.722 -18.74  -3.272  1   54.341 ? 28  LYS   B CE   1 ? 1 
ATOM   206  N NZ   . LYS   A 1 16  ? -18.304 -17.999 -4.391  1   60.189 ? 28  LYS   B NZ   1 ? 1 
ATOM   207  H H    . LYS   A 1 16  ? -19.33  -14.742 0.408   1   22.926 ? 28  LYS   B H    1 c 1 
ATOM   208  H HA   . LYS   A 1 16  ? -18.815 -17.221 1.437   1   26.587 ? 28  LYS   B HA   1 c 1 
ATOM   209  H HB2  . LYS   A 1 16  ? -17.548 -15.665 -0.554  1   27.258 ? 28  LYS   B HB2  1 c 1 
ATOM   210  H HB3  . LYS   A 1 16  ? -16.771 -16.911 0.024   1   28.534 ? 28  LYS   B HB3  1 c 1 
ATOM   211  H HG2  . LYS   A 1 16  ? -18.623 -18.297 -0.741  1   38.015 ? 28  LYS   B HG2  1 c 1 
ATOM   212  H HG3  . LYS   A 1 16  ? -19.15  -17.003 -1.532  1   36.588 ? 28  LYS   B HG3  1 c 1 
ATOM   213  H HD2  . LYS   A 1 16  ? -17.166 -16.874 -2.737  1   44.039 ? 28  LYS   B HD2  1 c 1 
ATOM   214  H HD3  . LYS   A 1 16  ? -16.512 -18.003 -1.851  1   44.726 ? 28  LYS   B HD3  1 c 1 
ATOM   215  H HE2  . LYS   A 1 16  ? -16.939 -19.234 -3.572  1   54.142 ? 28  LYS   B HE2  1 c 1 
ATOM   216  H HE3  . LYS   A 1 16  ? -18.378 -19.36  -2.907  1   55.071 ? 28  LYS   B HE3  1 c 1 
ATOM   217  H HZ1  . LYS   A 1 16  ? -17.661 -17.524 -4.818  1   57.039 ? 28  LYS   B HZ1  1 c 1 
ATOM   218  H HZ2  . LYS   A 1 16  ? -18.948 -17.435 -4.095  1   57.613 ? 28  LYS   B HZ2  1 c 1 
ATOM   219  H HZ3  . LYS   A 1 16  ? -18.674 -18.583 -4.977  1   59.138 ? 28  LYS   B HZ3  1 c 1 
ATOM   220  N N    . LYS   A 1 17  ? -17.294 -14.869 2.823   1   22.256 ? 29  LYS   B N    1 ? 1 
ATOM   221  C CA   . LYS   A 1 17  ? -16.249 -14.429 3.736   1   21.601 ? 29  LYS   B CA   1 ? 1 
ATOM   222  C C    . LYS   A 1 17  ? -14.848 -14.661 3.188   1   21.912 ? 29  LYS   B C    1 ? 1 
ATOM   223  O O    . LYS   A 1 17  ? -14.008 -15.283 3.828   1   22.491 ? 29  LYS   B O    1 ? 1 
ATOM   224  C CB   . LYS   A 1 17  ? -16.459 -15.114 5.093   1   25.376 ? 29  LYS   B CB   1 ? 1 
ATOM   225  C CG   . LYS   A 1 17  ? -17.719 -14.694 5.786   1   31.384 ? 29  LYS   B CG   1 ? 1 
ATOM   226  C CD   . LYS   A 1 17  ? -17.726 -13.254 6.272   1   34.74  ? 29  LYS   B CD   1 ? 1 
ATOM   227  C CE   . LYS   A 1 17  ? -18.744 -13.101 7.343   1   43.724 ? 29  LYS   B CE   1 ? 1 
ATOM   228  N NZ   . LYS   A 1 17  ? -19.41  -11.849 7.012   1   43.304 ? 29  LYS   B NZ   1 ? 1 
ATOM   229  H H    . LYS   A 1 17  ? -17.967 -14.281 2.633   1   21.803 ? 29  LYS   B H    1 c 1 
ATOM   230  H HA   . LYS   A 1 17  ? -16.364 -13.456 3.872   1   21.467 ? 29  LYS   B HA   1 c 1 
ATOM   231  H HB2  . LYS   A 1 17  ? -16.48  -16.086 4.966   1   26.884 ? 29  LYS   B HB2  1 c 1 
ATOM   232  H HB3  . LYS   A 1 17  ? -15.699 -14.904 5.677   1   26.065 ? 29  LYS   B HB3  1 c 1 
ATOM   233  H HG2  . LYS   A 1 17  ? -18.471 -14.824 5.169   1   30.789 ? 29  LYS   B HG2  1 c 1 
ATOM   234  H HG3  . LYS   A 1 17  ? -17.859 -15.289 6.554   1   32.446 ? 29  LYS   B HG3  1 c 1 
ATOM   235  H HD2  . LYS   A 1 17  ? -16.841 -13.02  6.626   1   34.919 ? 29  LYS   B HD2  1 c 1 
ATOM   236  H HD3  . LYS   A 1 17  ? -17.936 -12.655 5.522   1   34.163 ? 29  LYS   B HD3  1 c 1 
ATOM   237  H HE2  . LYS   A 1 17  ? -19.389 -13.831 7.34    1   42.925 ? 29  LYS   B HE2  1 c 1 
ATOM   238  H HE3  . LYS   A 1 17  ? -18.324 -13.034 8.22    1   42.713 ? 29  LYS   B HE3  1 c 1 
ATOM   239  H HZ1  . LYS   A 1 17  ? -19.851 -11.926 6.223   1   42.482 ? 29  LYS   B HZ1  1 c 1 
ATOM   240  H HZ2  . LYS   A 1 17  ? -18.807 -11.174 6.956   1   42.029 ? 29  LYS   B HZ2  1 c 1 
ATOM   241  H HZ3  . LYS   A 1 17  ? -20.01  -11.649 7.66    1   44.037 ? 29  LYS   B HZ3  1 c 1 
ATOM   242  N N    . ASP   A 1 18  ? -14.636 -14.139 1.996   1   19.967 ? 30  ASP   B N    1 ? 1 
ATOM   243  C CA   . ASP   A 1 18  ? -13.374 -14.281 1.298   1   21.374 ? 30  ASP   B CA   1 ? 1 
ATOM   244  C C    . ASP   A 1 18  ? -12.643 -12.935 1.23    1   18.475 ? 30  ASP   B C    1 ? 1 
ATOM   245  O O    . ASP   A 1 18  ? -11.698 -12.777 0.414   1   17.566 ? 30  ASP   B O    1 ? 1 
ATOM   246  C CB   . ASP   A 1 18  ? -13.611 -14.814 -0.102  1   20.727 ? 30  ASP   B CB   1 ? 1 
ATOM   247  C CG   . ASP   A 1 18  ? -14.515 -14     -0.995  1   21.908 ? 30  ASP   B CG   1 ? 1 
ATOM   248  O OD1  . ASP   A 1 18  ? -14.745 -12.807 -0.693  1   18.769 ? 30  ASP   B OD1  1 ? 1 
ATOM   249  O OD2  . ASP   A 1 18  ? -15.015 -14.578 -1.997  1   19.96  ? 30  ASP   B OD2  1 ? 1 
ATOM   250  H H    . ASP   A 1 18  ? -15.306 -13.665 1.595   1   20.055 ? 30  ASP   B H    1 c 1 
ATOM   251  H HA   . ASP   A 1 18  ? -12.811 -14.924 1.784   1   21.343 ? 30  ASP   B HA   1 c 1 
ATOM   252  H HB2  . ASP   A 1 18  ? -12.746 -14.909 -0.553  1   21.203 ? 30  ASP   B HB2  1 c 1 
ATOM   253  H HB3  . ASP   A 1 18  ? -14.001 -15.709 -0.023  1   22.208 ? 30  ASP   B HB3  1 c 1 
ATOM   254  N N    . ARG   A 1 19  ? -13.077 -11.982 2.019   1   18.03  ? 31  ARG   B N    1 ? 1 
ATOM   255  C CA   . ARG   A 1 19  ? -12.499 -10.622 2.098   1   19.119 ? 31  ARG   B CA   1 ? 1 
ATOM   256  C C    . ARG   A 1 19  ? -12.544 -9.91   0.758   1   18.221 ? 31  ARG   B C    1 ? 1 
ATOM   257  O O    . ARG   A 1 19  ? -11.797 -8.958  0.513   1   19.606 ? 31  ARG   B O    1 ? 1 
ATOM   258  C CB   . ARG   A 1 19  ? -11.095 -10.523 2.757   1   18.675 ? 31  ARG   B CB   1 ? 1 
ATOM   259  C CG   . ARG   A 1 19  ? -11.203 -10.894 4.21    1   21.245 ? 31  ARG   B CG   1 ? 1 
ATOM   260  C CD   . ARG   A 1 19  ? -9.845  -11.011 4.943   1   22.09  ? 31  ARG   B CD   1 ? 1 
ATOM   261  N NE   . ARG   A 1 19  ? -9.06   -9.807  4.587   1   21.995 ? 31  ARG   B NE   1 ? 1 
ATOM   262  C CZ   . ARG   A 1 19  ? -9.08   -8.693  5.332   1   23.553 ? 31  ARG   B CZ   1 ? 1 
ATOM   263  N NH1  . ARG   A 1 19  ? -9.862  -8.598  6.362   1   22.728 ? 31  ARG   B NH1  1 ? 1 
ATOM   264  N NH2  . ARG   A 1 19  ? -8.239  -7.668  5.022   1   25.937 ? 31  ARG   B NH2  1 ? 1 
ATOM   265  H H    . ARG   A 1 19  ? -13.784 -12.169 2.566   1   18.892 ? 31  ARG   B H    1 c 1 
ATOM   266  H HA   . ARG   A 1 19  ? -13.09  -10.104 2.701   1   18.597 ? 31  ARG   B HA   1 c 1 
ATOM   267  H HB2  . ARG   A 1 19  ? -10.471 -11.132 2.307   1   19.434 ? 31  ARG   B HB2  1 c 1 
ATOM   268  H HB3  . ARG   A 1 19  ? -10.752 -9.608  2.676   1   18.893 ? 31  ARG   B HB3  1 c 1 
ATOM   269  H HG2  . ARG   A 1 19  ? -11.75  -10.22  4.669   1   20.756 ? 31  ARG   B HG2  1 c 1 
ATOM   270  H HG3  . ARG   A 1 19  ? -11.675 -11.752 4.284   1   21.293 ? 31  ARG   B HG3  1 c 1 
ATOM   271  H HD2  . ARG   A 1 19  ? -9.971  -11.055 5.912   1   23.132 ? 31  ARG   B HD2  1 c 1 
ATOM   272  H HD3  . ARG   A 1 19  ? -9.367  -11.815 4.651   1   22.62  ? 31  ARG   B HD3  1 c 1 
ATOM   273  H HE   . ARG   A 1 19  ? -8.567  -9.825  3.869   1   21.949 ? 31  ARG   B HE   1 c 1 
ATOM   274  H HH11 . ARG   A 1 19  ? -10.739 -8.582  6.249   1   22.704 ? 31  ARG   B HH11 1 c 1 
ATOM   275  H HH12 . ARG   A 1 19  ? -9.515  -8.55   7.174   1   24.117 ? 31  ARG   B HH12 1 c 1 
ATOM   276  H HH21 . ARG   A 1 19  ? -7.658  -7.758  4.362   1   24.962 ? 31  ARG   B HH21 1 c 1 
ATOM   277  H HH22 . ARG   A 1 19  ? -8.277  -6.915  5.483   1   25.377 ? 31  ARG   B HH22 1 c 1 
ATOM   278  N N    . GLY   A 1 20  ? -13.476 -10.306 -0.136  1   18.793 ? 32  GLY   B N    1 ? 1 
ATOM   279  C CA   . GLY   A 1 20  ? -13.504 -9.769  -1.48   1   17.109 ? 32  GLY   B CA   1 ? 1 
ATOM   280  C C    . GLY   A 1 20  ? -14.069 -8.343  -1.545  1   16.978 ? 32  GLY   B C    1 ? 1 
ATOM   281  O O    . GLY   A 1 20  ? -13.835 -7.619  -2.531  1   15.66  ? 32  GLY   B O    1 ? 1 
ATOM   282  H H    . GLY   A 1 20  ? -14.115 -10.911 0.11    1   18.682 ? 32  GLY   B H    1 c 1 
ATOM   283  H HA2  . GLY   A 1 20  ? -12.592 -9.77   -1.843  1   17.634 ? 32  GLY   B HA2  1 c 1 
ATOM   284  H HA3  . GLY   A 1 20  ? -14.05  -10.36  -2.044  1   17.703 ? 32  GLY   B HA3  1 c 1 
ATOM   285  N N    . VAL   A 1 21  ? -14.863 -7.98   -0.545  1   16.951 ? 33  VAL   B N    1 ? 1 
ATOM   286  C CA   . VAL   A 1 21  ? -15.511 -6.688  -0.378  1   16.092 ? 33  VAL   B CA   1 ? 1 
ATOM   287  C C    . VAL   A 1 21  ? -15.385 -6.3    1.093   1   17.815 ? 33  VAL   B C    1 ? 1 
ATOM   288  O O    . VAL   A 1 21  ? -15.982 -6.99   1.95    1   15.869 ? 33  VAL   B O    1 ? 1 
ATOM   289  C CB   . VAL   A 1 21  ? -16.977 -6.607  -0.848  1   17.351 ? 33  VAL   B CB   1 ? 1 
ATOM   290  C CG1  . VAL   A 1 21  ? -17.469 -5.164  -0.731  1   18.799 ? 33  VAL   B CG1  1 ? 1 
ATOM   291  C CG2  . VAL   A 1 21  ? -17.202 -7.147  -2.278  1   18.046 ? 33  VAL   B CG2  1 ? 1 
ATOM   292  H H    . VAL   A 1 21  ? -15.021 -8.605  0.102   1   17.171 ? 33  VAL   B H    1 c 1 
ATOM   293  H HA   . VAL   A 1 21  ? -15.002 -6.039  -0.9    1   16.448 ? 33  VAL   B HA   1 c 1 
ATOM   294  H HB   . VAL   A 1 21  ? -17.511 -7.159  -0.23   1   17.903 ? 33  VAL   B HB   1 c 1 
ATOM   295  H HG11 . VAL   A 1 21  ? -16.782 -4.558  -1.054  1   18.095 ? 33  VAL   B HG11 1 c 1 
ATOM   296  H HG12 . VAL   A 1 21  ? -17.668 -4.961  0.198   1   18.567 ? 33  VAL   B HG12 1 c 1 
ATOM   297  H HG13 . VAL   A 1 21  ? -18.274 -5.051  -1.264  1   18.549 ? 33  VAL   B HG13 1 c 1 
ATOM   298  H HG21 . VAL   A 1 21  ? -18.141 -7.063  -2.513  1   18.194 ? 33  VAL   B HG21 1 c 1 
ATOM   299  H HG22 . VAL   A 1 21  ? -16.942 -8.083  -2.316  1   18.031 ? 33  VAL   B HG22 1 c 1 
ATOM   300  H HG23 . VAL   A 1 21  ? -16.665 -6.636  -2.906  1   17.655 ? 33  VAL   B HG23 1 c 1 
ATOM   301  N N    . LEU   A 1 22  ? -14.537 -5.291  1.4     1   16.639 ? 34  LEU   B N    1 ? 1 
ATOM   302  C CA   . LEU   A 1 22  ? -14.318 -4.787  2.759   1   16.96  ? 34  LEU   B CA   1 ? 1 
ATOM   303  C C    . LEU   A 1 22  ? -14.857 -3.384  2.874   1   18.051 ? 34  LEU   B C    1 ? 1 
ATOM   304  O O    . LEU   A 1 22  ? -14.689 -2.55   1.962   1   16.167 ? 34  LEU   B O    1 ? 1 
ATOM   305  C CB   . LEU   A 1 22  ? -12.831 -4.844  3.009   1   16.048 ? 34  LEU   B CB   1 ? 1 
ATOM   306  C CG   . LEU   A 1 22  ? -12.179 -6.208  3.061   1   16.834 ? 34  LEU   B CG   1 ? 1 
ATOM   307  C CD1  . LEU   A 1 22  ? -10.689 -5.974  3.07    1   18.964 ? 34  LEU   B CD1  1 ? 1 
ATOM   308  C CD2  . LEU   A 1 22  ? -12.59  -7.071  4.209   1   19.473 ? 34  LEU   B CD2  1 ? 1 
ATOM   309  H H    . LEU   A 1 22  ? -14.071 -4.898  0.719   1   16.598 ? 34  LEU   B H    1 c 1 
ATOM   310  H HA   . LEU   A 1 22  ? -14.784 -5.377  3.4     1   17.338 ? 34  LEU   B HA   1 c 1 
ATOM   311  H HB2  . LEU   A 1 22  ? -12.388 -4.317  2.305   1   16.231 ? 34  LEU   B HB2  1 c 1 
ATOM   312  H HB3  . LEU   A 1 22  ? -12.65  -4.385  3.861   1   17.037 ? 34  LEU   B HB3  1 c 1 
ATOM   313  H HG   . LEU   A 1 22  ? -12.405 -6.689  2.223   1   16.917 ? 34  LEU   B HG   1 c 1 
ATOM   314  H HD11 . LEU   A 1 22  ? -10.419 -5.561  2.232   1   18.082 ? 34  LEU   B HD11 1 c 1 
ATOM   315  H HD12 . LEU   A 1 22  ? -10.227 -6.823  3.174   1   18.748 ? 34  LEU   B HD12 1 c 1 
ATOM   316  H HD13 . LEU   A 1 22  ? -10.456 -5.387  3.809   1   18.965 ? 34  LEU   B HD13 1 c 1 
ATOM   317  H HD21 . LEU   A 1 22  ? -13.543 -7.249  4.156   1   18.752 ? 34  LEU   B HD21 1 c 1 
ATOM   318  H HD22 . LEU   A 1 22  ? -12.393 -6.617  5.045   1   19.485 ? 34  LEU   B HD22 1 c 1 
ATOM   319  H HD23 . LEU   A 1 22  ? -12.103 -7.912  4.175   1   19.14  ? 34  LEU   B HD23 1 c 1 
ATOM   320  N N    . LYS   A 1 23  ? -15.51  -3.101  4.006   1   16.907 ? 35  LYS   B N    1 ? 1 
ATOM   321  C CA   . LYS   A 1 23  ? -16.274 -1.858  4.176   1   17.035 ? 35  LYS   B CA   1 ? 1 
ATOM   322  C C    . LYS   A 1 23  ? -15.923 -1.168  5.483   1   19.058 ? 35  LYS   B C    1 ? 1 
ATOM   323  O O    . LYS   A 1 23  ? -15.859 -1.804  6.507   1   17.937 ? 35  LYS   B O    1 ? 1 
ATOM   324  C CB   . LYS   A 1 23  ? -17.769 -2.157  4.273   1   17.007 ? 35  LYS   B CB   1 ? 1 
ATOM   325  C CG   . LYS   A 1 23  ? -18.679 -0.942  4.367   1   17.838 ? 35  LYS   B CG   1 ? 1 
ATOM   326  C CD   . LYS   A 1 23  ? -20.188 -1.262  4.428   1   18.388 ? 35  LYS   B CD   1 ? 1 
ATOM   327  C CE   . LYS   A 1 23  ? -21.02  -0.035  4.557   1   18.603 ? 35  LYS   B CE   1 ? 1 
ATOM   328  N NZ   . LYS   A 1 23  ? -22.414 -0.224  4.945   1   19.086 ? 35  LYS   B NZ   1 ? 1 
ATOM   329  H H    . LYS   A 1 23  ? -15.48  -3.695  4.7     1   17.713 ? 35  LYS   B H    1 c 1 
ATOM   330  H HA   . LYS   A 1 23  ? -16.091 -1.255  3.417   1   16.864 ? 35  LYS   B HA   1 c 1 
ATOM   331  H HB2  . LYS   A 1 23  ? -18.033 -2.677  3.484   1   16.631 ? 35  LYS   B HB2  1 c 1 
ATOM   332  H HB3  . LYS   A 1 23  ? -17.925 -2.72   5.062   1   17.688 ? 35  LYS   B HB3  1 c 1 
ATOM   333  H HG2  . LYS   A 1 23  ? -18.434 -0.431  5.168   1   18.417 ? 35  LYS   B HG2  1 c 1 
ATOM   334  H HG3  . LYS   A 1 23  ? -18.509 -0.369  3.588   1   17.382 ? 35  LYS   B HG3  1 c 1 
ATOM   335  H HD2  . LYS   A 1 23  ? -20.448 -1.741  3.611   1   17.771 ? 35  LYS   B HD2  1 c 1 
ATOM   336  H HD3  . LYS   A 1 23  ? -20.361 -1.849  5.195   1   18.819 ? 35  LYS   B HD3  1 c 1 
ATOM   337  H HE2  . LYS   A 1 23  ? -20.601 0.551   5.213   1   19.046 ? 35  LYS   B HE2  1 c 1 
ATOM   338  H HE3  . LYS   A 1 23  ? -21.005 0.434   3.704   1   18.178 ? 35  LYS   B HE3  1 c 1 
ATOM   339  H HZ1  . LYS   A 1 23  ? -22.455 -0.684  5.725   1   19.835 ? 35  LYS   B HZ1  1 c 1 
ATOM   340  H HZ2  . LYS   A 1 23  ? -22.85  -0.69   4.301   1   19.052 ? 35  LYS   B HZ2  1 c 1 
ATOM   341  H HZ3  . LYS   A 1 23  ? -22.814 0.581   5.052   1   19.894 ? 35  LYS   B HZ3  1 c 1 
ATOM   342  N N    . ILE   A 1 24  ? -15.774 0.155   5.43    1   18.153 ? 36  ILE   B N    1 ? 1 
ATOM   343  C CA   . ILE   A 1 24  ? -15.859 0.974   6.644   1   18.489 ? 36  ILE   B CA   1 ? 1 
ATOM   344  C C    . ILE   A 1 24  ? -16.926 2.028   6.434   1   19.758 ? 36  ILE   B C    1 ? 1 
ATOM   345  O O    . ILE   A 1 24  ? -16.938 2.774   5.441   1   21.169 ? 36  ILE   B O    1 ? 1 
ATOM   346  C CB   . ILE   A 1 24  ? -14.523 1.628   7.006   1   21.189 ? 36  ILE   B CB   1 ? 1 
ATOM   347  C CG1  . ILE   A 1 24  ? -13.373 0.614   7.158   1   21.267 ? 36  ILE   B CG1  1 ? 1 
ATOM   348  C CG2  . ILE   A 1 24  ? -14.658 2.529   8.26    1   25.194 ? 36  ILE   B CG2  1 ? 1 
ATOM   349  C CD1  . ILE   A 1 24  ? -12.03  1.244   7.367   1   21.776 ? 36  ILE   B CD1  1 ? 1 
ATOM   350  H H    . ILE   A 1 24  ? -15.612 0.564   4.629   1   17.781 ? 36  ILE   B H    1 c 1 
ATOM   351  H HA   . ILE   A 1 24  ? -16.13  0.401   7.387   1   19.691 ? 36  ILE   B HA   1 c 1 
ATOM   352  H HB   . ILE   A 1 24  ? -14.284 2.212   6.26    1   20.902 ? 36  ILE   B HB   1 c 1 
ATOM   353  H HG12 . ILE   A 1 24  ? -13.568 0.03    7.919   1   21.593 ? 36  ILE   B HG12 1 c 1 
ATOM   354  H HG13 . ILE   A 1 24  ? -13.336 0.056   6.355   1   20.1   ? 36  ILE   B HG13 1 c 1 
ATOM   355  H HG21 . ILE   A 1 24  ? -13.803 2.944   8.46    1   25.126 ? 36  ILE   B HG21 1 c 1 
ATOM   356  H HG22 . ILE   A 1 24  ? -14.94  1.992   9.019   1   25.024 ? 36  ILE   B HG22 1 c 1 
ATOM   357  H HG23 . ILE   A 1 24  ? -15.318 3.223   8.095   1   24.682 ? 36  ILE   B HG23 1 c 1 
ATOM   358  H HD11 . ILE   A 1 24  ? -11.875 1.918   6.679   1   21.71  ? 36  ILE   B HD11 1 c 1 
ATOM   359  H HD12 . ILE   A 1 24  ? -11.339 0.559   7.311   1   21.773 ? 36  ILE   B HD12 1 c 1 
ATOM   360  H HD13 . ILE   A 1 24  ? -11.994 1.665   8.246   1   23.106 ? 36  ILE   B HD13 1 c 1 
ATOM   361  N N    . VAL   A 1 25  ? -17.794 2.162   7.436   1   21.327 ? 37  VAL   B N    1 ? 1 
ATOM   362  C CA   . VAL   A 1 25  ? -18.748 3.242   7.476   1   23.042 ? 37  VAL   B CA   1 ? 1 
ATOM   363  C C    . VAL   A 1 25  ? -17.973 4.485   7.935   1   24.88  ? 37  VAL   B C    1 ? 1 
ATOM   364  O O    . VAL   A 1 25  ? -17.462 4.498   9.072   1   24.808 ? 37  VAL   B O    1 ? 1 
ATOM   365  C CB   . VAL   A 1 25  ? -19.968 2.98    8.409   1   24.566 ? 37  VAL   B CB   1 ? 1 
ATOM   366  C CG1  . VAL   A 1 25  ? -20.821 4.227   8.561   1   26.615 ? 37  VAL   B CG1  1 ? 1 
ATOM   367  C CG2  . VAL   A 1 25  ? -20.754 1.774   7.924   1   23.464 ? 37  VAL   B CG2  1 ? 1 
ATOM   368  H H    . VAL   A 1 25  ? -17.79  1.555   8.12    1   21.808 ? 37  VAL   B H    1 c 1 
ATOM   369  H HA   . VAL   A 1 25  ? -19.08  3.396   6.57    1   22.375 ? 37  VAL   B HA   1 c 1 
ATOM   370  H HB   . VAL   A 1 25  ? -19.606 2.759   9.299   1   25.363 ? 37  VAL   B HB   1 c 1 
ATOM   371  H HG11 . VAL   A 1 25  ? -20.846 4.71    7.717   1   25.822 ? 37  VAL   B HG11 1 c 1 
ATOM   372  H HG12 . VAL   A 1 25  ? -20.442 4.799   9.249   1   27.401 ? 37  VAL   B HG12 1 c 1 
ATOM   373  H HG13 . VAL   A 1 25  ? -21.724 3.974   8.814   1   26.979 ? 37  VAL   B HG13 1 c 1 
ATOM   374  H HG21 . VAL   A 1 25  ? -21.493 1.604   8.531   1   24.574 ? 37  VAL   B HG21 1 c 1 
ATOM   375  H HG22 . VAL   A 1 25  ? -20.172 0.996   7.897   1   22.927 ? 37  VAL   B HG22 1 c 1 
ATOM   376  H HG23 . VAL   A 1 25  ? -21.101 1.95    7.033   1   22.905 ? 37  VAL   B HG23 1 c 1 
ATOM   377  N N    . LYS   A 1 26  ? -17.936 5.545   7.089   1   23.647 ? 38  LYS   B N    1 ? 1 
ATOM   378  C CA   . LYS   A 1 26  ? -17.257 6.778   7.471   1   25.894 ? 38  LYS   B CA   1 ? 1 
ATOM   379  C C    . LYS   A 1 26  ? -18.194 7.847   7.994   1   27.537 ? 38  LYS   B C    1 ? 1 
ATOM   380  O O    . LYS   A 1 26  ? -17.775 8.778   8.728   1   27.23  ? 38  LYS   B O    1 ? 1 
ATOM   381  C CB   . LYS   A 1 26  ? -16.529 7.271   6.247   1   28.191 ? 38  LYS   B CB   1 ? 1 
ATOM   382  C CG   . LYS   A 1 26  ? -15.411 6.348   5.787   1   29.14  ? 38  LYS   B CG   1 ? 1 
ATOM   383  C CD   . LYS   A 1 26  ? -14.371 5.879   6.793   1   37.862 ? 38  LYS   B CD   1 ? 1 
ATOM   384  C CE   . LYS   A 1 26  ? -13.287 6.846   6.945   1   38.537 ? 38  LYS   B CE   1 ? 1 
ATOM   385  N NZ   . LYS   A 1 26  ? -12.226 6.346   7.823   1   41.454 ? 38  LYS   B NZ   1 ? 1 
ATOM   386  H H    . LYS   A 1 26  ? -18.339 5.492   6.271   1   23.456 ? 38  LYS   B H    1 c 1 
ATOM   387  H HA   . LYS   A 1 26  ? -16.598 6.571   8.178   1   26.807 ? 38  LYS   B HA   1 c 1 
ATOM   388  H HB2  . LYS   A 1 26  ? -17.172 7.375   5.514   1   27.434 ? 38  LYS   B HB2  1 c 1 
ATOM   389  H HB3  . LYS   A 1 26  ? -16.147 8.154   6.439   1   29.036 ? 38  LYS   B HB3  1 c 1 
ATOM   390  H HG2  . LYS   A 1 26  ? -15.83  5.551   5.395   1   29.076 ? 38  LYS   B HG2  1 c 1 
ATOM   391  H HG3  . LYS   A 1 26  ? -14.94  6.8     5.053   1   30.256 ? 38  LYS   B HG3  1 c 1 
ATOM   392  H HD2  . LYS   A 1 26  ? -14.795 5.731   7.665   1   35.977 ? 38  LYS   B HD2  1 c 1 
ATOM   393  H HD3  . LYS   A 1 26  ? -13.996 5.023   6.49    1   34.57  ? 38  LYS   B HD3  1 c 1 
ATOM   394  H HE2  . LYS   A 1 26  ? -12.904 7.052   6.074   1   38.645 ? 38  LYS   B HE2  1 c 1 
ATOM   395  H HE3  . LYS   A 1 26  ? -13.645 7.667   7.322   1   40.291 ? 38  LYS   B HE3  1 c 1 
ATOM   396  H HZ1  . LYS   A 1 26  ? -11.848 5.609   7.458   1   39.846 ? 38  LYS   B HZ1  1 c 1 
ATOM   397  H HZ2  . LYS   A 1 26  ? -12.572 6.133   8.633   1   41.249 ? 38  LYS   B HZ2  1 c 1 
ATOM   398  H HZ3  . LYS   A 1 26  ? -11.591 6.984   7.93    1   41.861 ? 38  LYS   B HZ3  1 c 1 
ATOM   399  N N    . ARG   A 1 27  ? -19.443 7.879   7.498   1   26.243 ? 39  ARG   B N    1 ? 1 
ATOM   400  C CA   . ARG   A 1 27  ? -20.441 8.766   8.048   1   28.844 ? 39  ARG   B CA   1 ? 1 
ATOM   401  C C    . ARG   A 1 27  ? -21.775 8.041   8.15    1   29.911 ? 39  ARG   B C    1 ? 1 
ATOM   402  O O    . ARG   A 1 27  ? -22.235 7.398   7.173   1   28.307 ? 39  ARG   B O    1 ? 1 
ATOM   403  C CB   . ARG   A 1 27  ? -20.659 10.062  7.259   1   33.913 ? 39  ARG   B CB   1 ? 1 
ATOM   404  C CG   . ARG   A 1 27  ? -21.64  11.054  7.903   1   38.04  ? 39  ARG   B CG   1 ? 1 
ATOM   405  C CD   . ARG   A 1 27  ? -22.891 11.196  6.993   1   43.726 ? 39  ARG   B CD   1 ? 1 
ATOM   406  N NE   . ARG   A 1 27  ? -22.479 12.129  5.95    1   42.419 ? 39  ARG   B NE   1 ? 1 
ATOM   407  C CZ   . ARG   A 1 27  ? -22.873 12.623  4.776   1   40.114 ? 39  ARG   B CZ   1 ? 1 
ATOM   408  N NH1  . ARG   A 1 27  ? -23.717 12.164  3.88    1   37.611 ? 39  ARG   B NH1  1 ? 1 
ATOM   409  N NH2  . ARG   A 1 27  ? -22.307 13.766  4.491   1   39.097 ? 39  ARG   B NH2  1 ? 1 
ATOM   410  H H    . ARG   A 1 27  ? -19.668 7.34    6.796   1   25.564 ? 39  ARG   B H    1 c 1 
ATOM   411  H HA   . ARG   A 1 27  ? -20.158 9.016   8.964   1   30.702 ? 39  ARG   B HA   1 c 1 
ATOM   412  H HB2  . ARG   A 1 27  ? -19.792 10.508  7.151   1   33.424 ? 39  ARG   B HB2  1 c 1 
ATOM   413  H HB3  . ARG   A 1 27  ? -20.984 9.83    6.363   1   32.349 ? 39  ARG   B HB3  1 c 1 
ATOM   414  H HG2  . ARG   A 1 27  ? -21.914 10.727  8.787   1   39.263 ? 39  ARG   B HG2  1 c 1 
ATOM   415  H HG3  . ARG   A 1 27  ? -21.207 11.929  8.013   1   39.843 ? 39  ARG   B HG3  1 c 1 
ATOM   416  H HD2  . ARG   A 1 27  ? -23.144 10.339  6.597   1   40.596 ? 39  ARG   B HD2  1 c 1 
ATOM   417  H HD3  . ARG   A 1 27  ? -23.651 11.563  7.489   1   43.337 ? 39  ARG   B HD3  1 c 1 
ATOM   418  H HE   . ARG   A 1 27  ? -21.711 12.492  6.14    1   42.289 ? 39  ARG   B HE   1 c 1 
ATOM   419  H HH11 . ARG   A 1 27  ? -23.772 11.294  3.735   1   36.949 ? 39  ARG   B HH11 1 c 1 
ATOM   420  H HH12 . ARG   A 1 27  ? -24.228 12.726  3.427   1   39.056 ? 39  ARG   B HH12 1 c 1 
ATOM   421  H HH21 . ARG   A 1 27  ? -22.331 14.428  5.077   1   41.221 ? 39  ARG   B HH21 1 c 1 
ATOM   422  H HH22 . ARG   A 1 27  ? -21.908 13.877  3.71    1   39.357 ? 39  ARG   B HH22 1 c 1 
ATOM   423  N N    . VAL   A 1 28  ? -22.374 8.07    9.354   1   29.557 ? 40  VAL   B N    1 ? 1 
ATOM   424  C CA   . VAL   A 1 28  ? -23.584 7.291   9.549   1   32.668 ? 40  VAL   B CA   1 ? 1 
ATOM   425  C C    . VAL   A 1 28  ? -24.764 7.978   8.845   1   33.335 ? 40  VAL   B C    1 ? 1 
ATOM   426  O O    . VAL   A 1 28  ? -24.843 9.193   8.817   1   33.226 ? 40  VAL   B O    1 ? 1 
ATOM   427  C CB   . VAL   A 1 28  ? -23.818 7.029   11.046  1   37.418 ? 40  VAL   B CB   1 ? 1 
ATOM   428  C CG1  . VAL   A 1 28  ? -25.227 6.576   11.365  1   42.886 ? 40  VAL   B CG1  1 ? 1 
ATOM   429  C CG2  . VAL   A 1 28  ? -22.779 6.013   11.539  1   36.715 ? 40  VAL   B CG2  1 ? 1 
ATOM   430  H H    . VAL   A 1 28  ? -22.035 8.569   10.041  1   31.824 ? 40  VAL   B H    1 c 1 
ATOM   431  H HA   . VAL   A 1 28  ? -23.447 6.424   9.12    1   31.233 ? 40  VAL   B HA   1 c 1 
ATOM   432  H HB   . VAL   A 1 28  ? -23.66  7.878   11.52   1   38.827 ? 40  VAL   B HB   1 c 1 
ATOM   433  H HG11 . VAL   A 1 28  ? -25.534 5.958   10.68   1   40.322 ? 40  VAL   B HG11 1 c 1 
ATOM   434  H HG12 . VAL   A 1 28  ? -25.818 7.347   11.394  1   42.635 ? 40  VAL   B HG12 1 c 1 
ATOM   435  H HG13 . VAL   A 1 28  ? -25.238 6.13    12.229  1   42.418 ? 40  VAL   B HG13 1 c 1 
ATOM   436  H HG21 . VAL   A 1 28  ? -22.897 5.864   12.493  1   38.081 ? 40  VAL   B HG21 1 c 1 
ATOM   437  H HG22 . VAL   A 1 28  ? -21.885 6.356   11.374  1   36.137 ? 40  VAL   B HG22 1 c 1 
ATOM   438  H HG23 . VAL   A 1 28  ? -22.896 5.172   11.065  1   35.453 ? 40  VAL   B HG23 1 c 1 
ATOM   439  N N    . GLY   A 1 29  ? -25.618 7.157   8.221   1   33.495 ? 41  GLY   B N    1 ? 1 
ATOM   440  C CA   . GLY   A 1 29  ? -26.826 7.62    7.541   1   34.037 ? 41  GLY   B CA   1 ? 1 
ATOM   441  C C    . GLY   A 1 29  ? -28.025 7.532   8.462   1   39.347 ? 41  GLY   B C    1 ? 1 
ATOM   442  O O    . GLY   A 1 29  ? -27.849 7.397   9.654   1   38.329 ? 41  GLY   B O    1 ? 1 
ATOM   443  H H    . GLY   A 1 29  ? -25.441 6.261   8.219   1   32.33  ? 41  GLY   B H    1 c 1 
ATOM   444  H HA2  . GLY   A 1 29  ? -26.701 8.553   7.246   1   35.192 ? 41  GLY   B HA2  1 c 1 
ATOM   445  H HA3  . GLY   A 1 29  ? -26.981 7.065   6.741   1   33.719 ? 41  GLY   B HA3  1 c 1 
ATOM   446  N N    . ASN   A 1 30  ? -29.252 7.635   7.893   1   41.903 ? 42  ASN   B N    1 ? 1 
ATOM   447  C CA   . ASN   A 1 30  ? -30.479 7.787   8.651   1   44.841 ? 42  ASN   B CA   1 ? 1 
ATOM   448  C C    . ASN   A 1 30  ? -31.457 6.65    8.296   1   45.726 ? 42  ASN   B C    1 ? 1 
ATOM   449  O O    . ASN   A 1 30  ? -31.44  6.176   7.17    1   42.355 ? 42  ASN   B O    1 ? 1 
ATOM   450  C CB   . ASN   A 1 30  ? -31.204 9.081   8.277   1   47.827 ? 42  ASN   B CB   1 ? 1 
ATOM   451  C CG   . ASN   A 1 30  ? -30.257 10.202  7.915   1   54.409 ? 42  ASN   B CG   1 ? 1 
ATOM   452  O OD1  . ASN   A 1 30  ? -29.975 10.45   6.725   1   55.67  ? 42  ASN   B OD1  1 ? 1 
ATOM   453  N ND2  . ASN   A 1 30  ? -29.675 10.817  8.933   1   54.752 ? 42  ASN   B ND2  1 ? 1 
ATOM   454  H H    . ASN   A 1 30  ? -29.31  7.604   6.981   1   40.774 ? 42  ASN   B H    1 c 1 
ATOM   455  H HA   . ASN   A 1 30  ? -30.287 7.793   9.616   1   45.931 ? 42  ASN   B HA   1 c 1 
ATOM   456  H HB2  . ASN   A 1 30  ? -31.795 8.909   7.517   1   48.956 ? 42  ASN   B HB2  1 c 1 
ATOM   457  H HB3  . ASN   A 1 30  ? -31.759 9.364   9.03    1   50.93  ? 42  ASN   B HB3  1 c 1 
ATOM   458  H HD21 . ASN   A 1 30  ? -29.169 11.531  8.786   1   54.965 ? 42  ASN   B HD21 1 c 1 
ATOM   459  H HD22 . ASN   A 1 30  ? -29.789 10.516  9.76    1   55.616 ? 42  ASN   B HD22 1 c 1 
ATOM   460  N N    . GLY   A 1 31  ? -32.382 6.32    9.211   1   48.319 ? 43  GLY   B N    1 ? 1 
ATOM   461  C CA   . GLY   A 1 31  ? -33.435 5.351   8.921   1   50.256 ? 43  GLY   B CA   1 ? 1 
ATOM   462  C C    . GLY   A 1 31  ? -32.91  3.915   8.963   1   48.825 ? 43  GLY   B C    1 ? 1 
ATOM   463  O O    . GLY   A 1 31  ? -31.706 3.68    9.049   1   58.291 ? 43  GLY   B O    1 ? 1 
ATOM   464  H H    . GLY   A 1 31  ? -32.355 6.71    10.038  1   49.677 ? 43  GLY   B H    1 c 1 
ATOM   465  H HA2  . GLY   A 1 31  ? -34.159 5.455   9.582   1   52.16  ? 43  GLY   B HA2  1 c 1 
ATOM   466  H HA3  . GLY   A 1 31  ? -33.811 5.538   8.028   1   49.772 ? 43  GLY   B HA3  1 c 1 
ATOM   467  N N    . GLU   A 1 32  ? -33.837 2.937   8.86    1   51.421 ? 44  GLU   B N    1 ? 1 
ATOM   468  C CA   . GLU   A 1 32  ? -33.524 1.499   8.916   1   51.491 ? 44  GLU   B CA   1 ? 1 
ATOM   469  C C    . GLU   A 1 32  ? -33.539 0.862   7.498   1   43.976 ? 44  GLU   B C    1 ? 1 
ATOM   470  O O    . GLU   A 1 32  ? -32.984 -0.192  7.292   1   45.987 ? 44  GLU   B O    1 ? 1 
ATOM   471  C CB   . GLU   A 1 32  ? -34.493 0.944   9.983   1   54.846 ? 44  GLU   B CB   1 ? 1 
ATOM   472  H H    . GLU   A 1 32  ? -34.71  3.183   8.75    1   52.795 ? 44  GLU   B H    1 c 1 
ATOM   473  H HA   . GLU   A 1 32  ? -32.607 1.4     9.279   1   49.002 ? 44  GLU   B HA   1 c 1 
ATOM   474  H HB2  . GLU   A 1 32  ? -34.068 0.469   10.621  0   30     ? 44  GLU   B HB2  1 c 1 
ATOM   475  H HB3  . GLU   A 1 32  ? -35.474 1.114   9.595   0   30     ? 44  GLU   B HB3  1 c 1 
ATOM   476  N N    . GLU   A 1 33  ? -34.2   1.472   6.502   1   41.371 ? 45  GLU   B N    1 ? 1 
ATOM   477  C CA   . GLU   A 1 33  ? -34.285 0.984   5.135   1   41.634 ? 45  GLU   B CA   1 ? 1 
ATOM   478  C C    . GLU   A 1 33  ? -32.865 0.977   4.54    1   39.618 ? 45  GLU   B C    1 ? 1 
ATOM   479  O O    . GLU   A 1 33  ? -32.068 1.896   4.753   1   37.252 ? 45  GLU   B O    1 ? 1 
ATOM   480  C CB   . GLU   A 1 33  ? -35.27  1.847   4.328   1   43.625 ? 45  GLU   B CB   1 ? 1 
ATOM   481  H H    . GLU   A 1 33  ? -34.633 2.252   6.698   1   43.637 ? 45  GLU   B H    1 c 1 
ATOM   482  H HA   . GLU   A 1 33  ? -34.626 0.054   5.16    1   42.253 ? 45  GLU   B HA   1 c 1 
ATOM   483  H HB2  . GLU   A 1 33  ? -34.723 2.401   3.748   0   30     ? 45  GLU   B HB2  1 c 1 
ATOM   484  H HB3  . GLU   A 1 33  ? -36.158 1.567   4.581   0   30     ? 45  GLU   B HB3  1 c 1 
ATOM   485  N N    . THR   A 1 34  ? -32.562 -0.074  3.769   1   36.426 ? 46  THR   B N    1 ? 1 
ATOM   486  C CA   . THR   A 1 34  ? -31.401 -0.138  2.89    1   33.202 ? 46  THR   B CA   1 ? 1 
ATOM   487  C C    . THR   A 1 34  ? -31.894 -0.62   1.529   1   33.267 ? 46  THR   B C    1 ? 1 
ATOM   488  O O    . THR   A 1 34  ? -32.995 -1.148  1.431   1   38.788 ? 46  THR   B O    1 ? 1 
ATOM   489  C CB   . THR   A 1 34  ? -30.327 -1.084  3.403   1   30.68  ? 46  THR   B CB   1 ? 1 
ATOM   490  O OG1  . THR   A 1 34  ? -31.002 -2.325  3.589   1   31.954 ? 46  THR   B OG1  1 ? 1 
ATOM   491  C CG2  . THR   A 1 34  ? -29.743 -0.7    4.75    1   30.77  ? 46  THR   B CG2  1 ? 1 
ATOM   492  H H    . THR   A 1 34  ? -33.115 -0.801  3.797   1   37.7   ? 46  THR   B H    1 c 1 
ATOM   493  H HA   . THR   A 1 34  ? -31.02  0.761   2.8     1   32.662 ? 46  THR   B HA   1 c 1 
ATOM   494  H HB   . THR   A 1 34  ? -29.609 -1.188  2.736   1   29.452 ? 46  THR   B HB   1 c 1 
ATOM   495  H HG1  . THR   A 1 34  ? -31.644 -2.247  4.16    0   30     ? 46  THR   B HG1  1 c 1 
ATOM   496  H HG21 . THR   A 1 34  ? -28.979 -1.268  4.946   1   29.759 ? 46  THR   B HG21 1 c 1 
ATOM   497  H HG22 . THR   A 1 34  ? -30.417 -0.816  5.441   1   32.305 ? 46  THR   B HG22 1 c 1 
ATOM   498  H HG23 . THR   A 1 34  ? -29.459 0.228   4.728   1   30.404 ? 46  THR   B HG23 1 c 1 
ATOM   499  N N    . PRO   A 1 35  ? -31.234 -0.286  0.427   1   33.732 ? 47  PRO   B N    1 ? 1 
ATOM   500  C CA   . PRO   A 1 35  ? -31.767 -0.636  -0.876  1   38.727 ? 47  PRO   B CA   1 ? 1 
ATOM   501  C C    . PRO   A 1 35  ? -31.967 -2.164  -1.048  1   38.193 ? 47  PRO   B C    1 ? 1 
ATOM   502  O O    . PRO   A 1 35  ? -31.112 -2.961  -0.632  1   30.976 ? 47  PRO   B O    1 ? 1 
ATOM   503  C CB   . PRO   A 1 35  ? -30.767 -0.054  -1.854  1   34.673 ? 47  PRO   B CB   1 ? 1 
ATOM   504  C CG   . PRO   A 1 35  ? -29.759 0.735   -1.046  1   37.331 ? 47  PRO   B CG   1 ? 1 
ATOM   505  C CD   . PRO   A 1 35  ? -29.96  0.431   0.388   1   33.677 ? 47  PRO   B CD   1 ? 1 
ATOM   506  H HA   . PRO   A 1 35  ? -32.626 -0.182  -0.998  1   38.73  ? 47  PRO   B HA   1 c 1 
ATOM   507  H HB2  . PRO   A 1 35  ? -30.32  -0.764  -2.348  1   35.461 ? 47  PRO   B HB2  1 c 1 
ATOM   508  H HB3  . PRO   A 1 35  ? -31.217 0.526   -2.499  1   36.979 ? 47  PRO   B HB3  1 c 1 
ATOM   509  H HG2  . PRO   A 1 35  ? -28.85  0.493   -1.313  1   34.024 ? 47  PRO   B HG2  1 c 1 
ATOM   510  H HG3  . PRO   A 1 35  ? -29.878 1.693   -1.202  1   35.832 ? 47  PRO   B HG3  1 c 1 
ATOM   511  H HD2  . PRO   A 1 35  ? -29.238 -0.13   0.733   1   32.957 ? 47  PRO   B HD2  1 c 1 
ATOM   512  H HD3  . PRO   A 1 35  ? -30.008 1.251   0.916   1   34.377 ? 47  PRO   B HD3  1 c 1 
ATOM   513  N N    . MET   A 1 36  ? -33.136 -2.491  -1.597  1   42.133 ? 48  MET   B N    1 ? 1 
ATOM   514  C CA   . MET   A 1 36  ? -33.519 -3.83   -2.069  1   45.558 ? 48  MET   B CA   1 ? 1 
ATOM   515  C C    . MET   A 1 36  ? -33.063 -3.949  -3.556  1   48.92  ? 48  MET   B C    1 ? 1 
ATOM   516  O O    . MET   A 1 36  ? -32.959 -2.975  -4.339  1   41.535 ? 48  MET   B O    1 ? 1 
ATOM   517  C CB   . MET   A 1 36  ? -35.042 -3.991  -1.963  1   48.987 ? 48  MET   B CB   1 ? 1 
ATOM   518  C CG   . MET   A 1 36  ? -35.847 -4.192  -0.574  1   44.509 ? 48  MET   B CG   1 ? 1 
ATOM   519  S SD   . MET   A 1 36  ? -35.105 -5.441  0.524   1   43.688 ? 48  MET   B SD   1 ? 1 
ATOM   520  C CE   . MET   A 1 36  ? -35.809 -4.817  2.052   1   50.458 ? 48  MET   B CE   1 ? 1 
ATOM   521  H H    . MET   A 1 36  ? -33.755 -1.825  -1.686  1   43.3   ? 48  MET   B H    1 c 1 
ATOM   522  H HA   . MET   A 1 36  ? -33.06  -4.515  -1.519  1   44.97  ? 48  MET   B HA   1 c 1 
ATOM   523  H HB2  . MET   A 1 36  ? -35.432 -3.204  -2.4    1   47.995 ? 48  MET   B HB2  1 c 1 
ATOM   524  H HB3  . MET   A 1 36  ? -35.275 -4.755  -2.531  1   48.127 ? 48  MET   B HB3  1 c 1 
ATOM   525  H HG2  . MET   A 1 36  ? -35.881 -3.339  -0.097  1   45.72  ? 48  MET   B HG2  1 c 1 
ATOM   526  H HG3  . MET   A 1 36  ? -36.766 -4.459  -0.773  1   47.913 ? 48  MET   B HG3  1 c 1 
ATOM   527  H HE1  . MET   A 1 36  ? -35.673 -5.47   2.763   1   49.474 ? 48  MET   B HE1  1 c 1 
ATOM   528  H HE2  . MET   A 1 36  ? -35.373 -3.979  2.291   1   47.981 ? 48  MET   B HE2  1 c 1 
ATOM   529  H HE3  . MET   A 1 36  ? -36.765 -4.663  1.93    1   51.131 ? 48  MET   B HE3  1 c 1 
ATOM   530  N N    . ILE   A 1 37  ? -32.897 -5.182  -4.047  1   42.064 ? 49  ILE   B N    1 ? 1 
ATOM   531  C CA   . ILE   A 1 37  ? -32.608 -5.415  -5.459  1   35.631 ? 49  ILE   B CA   1 ? 1 
ATOM   532  C C    . ILE   A 1 37  ? -33.797 -4.876  -6.26   1   36.011 ? 49  ILE   B C    1 ? 1 
ATOM   533  O O    . ILE   A 1 37  ? -34.949 -5.177  -5.943  1   40.277 ? 49  ILE   B O    1 ? 1 
ATOM   534  C CB   . ILE   A 1 37  ? -32.47  -6.93   -5.78   1   38.063 ? 49  ILE   B CB   1 ? 1 
ATOM   535  C CG1  . ILE   A 1 37  ? -31.28  -7.506  -5.092  1   40.457 ? 49  ILE   B CG1  1 ? 1 
ATOM   536  C CG2  . ILE   A 1 37  ? -32.482 -7.209  -7.301  1   36.893 ? 49  ILE   B CG2  1 ? 1 
ATOM   537  C CD1  . ILE   A 1 37  ? -31.247 -7.153  -3.617  1   40.382 ? 49  ILE   B CD1  1 ? 1 
ATOM   538  H H    . ILE   A 1 37  ? -33.057 -5.896  -3.503  1   42.276 ? 49  ILE   B H    1 c 1 
ATOM   539  H HA   . ILE   A 1 37  ? -31.789 -4.945  -5.712  1   35.093 ? 49  ILE   B HA   1 c 1 
ATOM   540  H HB   . ILE   A 1 37  ? -33.256 -7.372  -5.402  1   39.645 ? 49  ILE   B HB   1 c 1 
ATOM   541  H HG12 . ILE   A 1 37  ? -31.295 -8.48   -5.188  1   39.999 ? 49  ILE   B HG12 1 c 1 
ATOM   542  H HG13 . ILE   A 1 37  ? -30.468 -7.169  -5.52   1   38.003 ? 49  ILE   B HG13 1 c 1 
ATOM   543  H HG21 . ILE   A 1 37  ? -32.238 -8.135  -7.463  1   37.577 ? 49  ILE   B HG21 1 c 1 
ATOM   544  H HG22 . ILE   A 1 37  ? -31.842 -6.626  -7.743  1   36.302 ? 49  ILE   B HG22 1 c 1 
ATOM   545  H HG23 . ILE   A 1 37  ? -33.369 -7.043  -7.659  1   39.3   ? 49  ILE   B HG23 1 c 1 
ATOM   546  H HD11 . ILE   A 1 37  ? -30.963 -6.229  -3.485  1   39.25  ? 49  ILE   B HD11 1 c 1 
ATOM   547  H HD12 . ILE   A 1 37  ? -30.614 -7.748  -3.172  1   39.351 ? 49  ILE   B HD12 1 c 1 
ATOM   548  H HD13 . ILE   A 1 37  ? -32.13  -7.287  -3.234  1   41.783 ? 49  ILE   B HD13 1 c 1 
ATOM   549  N N    . GLY   A 1 38  ? -33.474 -4.224  -7.385  1   35.586 ? 50  GLY   B N    1 ? 1 
ATOM   550  C CA   . GLY   A 1 38  ? -34.421 -3.547  -8.27   1   40.343 ? 50  GLY   B CA   1 ? 1 
ATOM   551  C C    . GLY   A 1 38  ? -34.581 -2.046  -8.027  1   39.226 ? 50  GLY   B C    1 ? 1 
ATOM   552  O O    . GLY   A 1 38  ? -35.203 -1.341  -8.855  1   42.653 ? 50  GLY   B O    1 ? 1 
ATOM   553  H H    . GLY   A 1 38  ? -32.591 -4.203  -7.622  1   34.679 ? 50  GLY   B H    1 c 1 
ATOM   554  H HA2  . GLY   A 1 38  ? -34.129 -3.688  -9.201  1   39.645 ? 50  GLY   B HA2  1 c 1 
ATOM   555  H HA3  . GLY   A 1 38  ? -35.302 -3.979  -8.173  1   41.305 ? 50  GLY   B HA3  1 c 1 
ATOM   556  N N    . ASP   A 1 39  ? -34.282 -1.629  -6.802  1   38.728 ? 51  ASP   B N    1 ? 1 
ATOM   557  C CA   . ASP   A 1 39  ? -34.415 -0.228  -6.387  1   40.676 ? 51  ASP   B CA   1 ? 1 
ATOM   558  C C    . ASP   A 1 39  ? -33.528 0.673   -7.267  1   37.046 ? 51  ASP   B C    1 ? 1 
ATOM   559  O O    . ASP   A 1 39  ? -32.464 0.277   -7.703  1   36.628 ? 51  ASP   B O    1 ? 1 
ATOM   560  C CB   . ASP   A 1 39  ? -33.956 -0.011  -4.934  1   38.87  ? 51  ASP   B CB   1 ? 1 
ATOM   561  C CG   . ASP   A 1 39  ? -34.959 -0.436  -3.875  1   43.14  ? 51  ASP   B CG   1 ? 1 
ATOM   562  O OD1  . ASP   A 1 39  ? -36.035 -0.892  -4.291  1   43.181 ? 51  ASP   B OD1  1 ? 1 
ATOM   563  O OD2  . ASP   A 1 39  ? -34.669 -0.334  -2.664  1   41.005 ? 51  ASP   B OD2  1 ? 1 
ATOM   564  H H    . ASP   A 1 39  ? -33.984 -2.234  -6.186  1   37.986 ? 51  ASP   B H    1 c 1 
ATOM   565  H HA   . ASP   A 1 39  ? -35.355 0.045   -6.488  1   41.683 ? 51  ASP   B HA   1 c 1 
ATOM   566  H HB2  . ASP   A 1 39  ? -33.121 -0.501  -4.787  1   37.853 ? 51  ASP   B HB2  1 c 1 
ATOM   567  H HB3  . ASP   A 1 39  ? -33.77  0.942   -4.801  1   39.287 ? 51  ASP   B HB3  1 c 1 
ATOM   568  N N    . LYS   A 1 40  ? -33.985 1.907   -7.535  1   37.806 ? 52  LYS   B N    1 ? 1 
ATOM   569  C CA   . LYS   A 1 40  ? -33.199 2.897   -8.237  1   35.196 ? 52  LYS   B CA   1 ? 1 
ATOM   570  C C    . LYS   A 1 40  ? -32.406 3.636   -7.176  1   34.103 ? 52  LYS   B C    1 ? 1 
ATOM   571  O O    . LYS   A 1 40  ? -32.988 4.096   -6.223  1   36.13  ? 52  LYS   B O    1 ? 1 
ATOM   572  C CB   . LYS   A 1 40  ? -34.107 3.907   -8.978  1   37.264 ? 52  LYS   B CB   1 ? 1 
ATOM   573  H H    . LYS   A 1 40  ? -34.827 2.133   -7.259  1   38.954 ? 52  LYS   B H    1 c 1 
ATOM   574  H HA   . LYS   A 1 40  ? -32.585 2.445   -8.869  1   34.884 ? 52  LYS   B HA   1 c 1 
ATOM   575  H HB2  . LYS   A 1 40  ? -33.56  4.535   -9.47   0   30     ? 52  LYS   B HB2  1 c 1 
ATOM   576  H HB3  . LYS   A 1 40  ? -35.059 3.656   -8.81   0   30     ? 52  LYS   B HB3  1 c 1 
ATOM   577  N N    . VAL   A 1 41  ? -31.056 3.631   -7.294  1   34.328 ? 53  VAL   B N    1 ? 1 
ATOM   578  C CA   . VAL   A 1 41  ? -30.17  4.171   -6.288  1   31.296 ? 53  VAL   B CA   1 ? 1 
ATOM   579  C C    . VAL   A 1 41  ? -29.43  5.387   -6.865  1   31.152 ? 53  VAL   B C    1 ? 1 
ATOM   580  O O    . VAL   A 1 41  ? -28.977 5.345   -8.014  1   32.034 ? 53  VAL   B O    1 ? 1 
ATOM   581  C CB   . VAL   A 1 41  ? -29.205 3.015   -5.925  1   30.344 ? 53  VAL   B CB   1 ? 1 
ATOM   582  C CG1  . VAL   A 1 41  ? -28.36  3.462   -4.77   1   31.864 ? 53  VAL   B CG1  1 ? 1 
ATOM   583  C CG2  . VAL   A 1 41  ? -29.981 1.788   -5.482  1   31.767 ? 53  VAL   B CG2  1 ? 1 
ATOM   584  H H    . VAL   A 1 41  ? -30.685 3.27    -8.047  1   33.191 ? 53  VAL   B H    1 c 1 
ATOM   585  H HA   . VAL   A 1 41  ? -30.684 4.433   -5.5    1   32.208 ? 53  VAL   B HA   1 c 1 
ATOM   586  H HB   . VAL   A 1 41  ? -28.645 2.812   -6.71   1   30.409 ? 53  VAL   B HB   1 c 1 
ATOM   587  H HG11 . VAL   A 1 41  ? -28.932 3.809   -4.067  1   31.473 ? 53  VAL   B HG11 1 c 1 
ATOM   588  H HG12 . VAL   A 1 41  ? -27.748 4.158   -5.063  1   30.658 ? 53  VAL   B HG12 1 c 1 
ATOM   589  H HG13 . VAL   A 1 41  ? -27.85  2.709   -4.429  1   29.704 ? 53  VAL   B HG13 1 c 1 
ATOM   590  H HG21 . VAL   A 1 41  ? -29.377 1.156   -5.056  1   30.163 ? 53  VAL   B HG21 1 c 1 
ATOM   591  H HG22 . VAL   A 1 41  ? -30.394 1.367   -6.255  1   32.272 ? 53  VAL   B HG22 1 c 1 
ATOM   592  H HG23 . VAL   A 1 41  ? -30.671 2.051   -4.85   1   32.289 ? 53  VAL   B HG23 1 c 1 
ATOM   593  N N    . TYR   A 1 42  ? -29.288 6.422   -6.032  1   31.698 ? 54  TYR   B N    1 ? 1 
ATOM   594  C CA   . TYR   A 1 42  ? -28.622 7.687   -6.349  1   31.44  ? 54  TYR   B CA   1 ? 1 
ATOM   595  C C    . TYR   A 1 42  ? -27.411 7.845   -5.428  1   29.254 ? 54  TYR   B C    1 ? 1 
ATOM   596  O O    . TYR   A 1 42  ? -27.561 7.875   -4.214  1   27.71  ? 54  TYR   B O    1 ? 1 
ATOM   597  C CB   . TYR   A 1 42  ? -29.566 8.867   -6.129  1   33.661 ? 54  TYR   B CB   1 ? 1 
ATOM   598  C CG   . TYR   A 1 42  ? -30.859 8.859   -6.945  1   36.358 ? 54  TYR   B CG   1 ? 1 
ATOM   599  C CD1  . TYR   A 1 42  ? -31.912 7.987   -6.649  1   37.226 ? 54  TYR   B CD1  1 ? 1 
ATOM   600  C CD2  . TYR   A 1 42  ? -31.016 9.728   -7.999  1   40.049 ? 54  TYR   B CD2  1 ? 1 
ATOM   601  C CE1  . TYR   A 1 42  ? -33.082 7.984   -7.402  1   39.517 ? 54  TYR   B CE1  1 ? 1 
ATOM   602  C CE2  . TYR   A 1 42  ? -32.181 9.751   -8.748  1   43.814 ? 54  TYR   B CE2  1 ? 1 
ATOM   603  C CZ   . TYR   A 1 42  ? -33.199 8.852   -8.471  1   44.254 ? 54  TYR   B CZ   1 ? 1 
ATOM   604  O OH   . TYR   A 1 42  ? -34.342 8.987   -9.228  1   48.648 ? 54  TYR   B OH   1 ? 1 
ATOM   605  H H    . TYR   A 1 42  ? -29.634 6.333   -5.19   1   31.361 ? 54  TYR   B H    1 c 1 
ATOM   606  H HA   . TYR   A 1 42  ? -28.322 7.676   -7.296  1   31.779 ? 54  TYR   B HA   1 c 1 
ATOM   607  H HB2  . TYR   A 1 42  ? -29.802 8.896   -5.175  1   33.555 ? 54  TYR   B HB2  1 c 1 
ATOM   608  H HB3  . TYR   A 1 42  ? -29.074 9.694   -6.33   1   34.215 ? 54  TYR   B HB3  1 c 1 
ATOM   609  H HD1  . TYR   A 1 42  ? -31.821 7.376   -5.935  1   36.012 ? 54  TYR   B HD1  1 c 1 
ATOM   610  H HD2  . TYR   A 1 42  ? -30.32  10.33   -8.211  1   39.848 ? 54  TYR   B HD2  1 c 1 
ATOM   611  H HE1  . TYR   A 1 42  ? -33.785 7.394   -7.19   1   40.683 ? 54  TYR   B HE1  1 c 1 
ATOM   612  H HE2  . TYR   A 1 42  ? -32.269 10.356  -9.465  1   44.975 ? 54  TYR   B HE2  1 c 1 
ATOM   613  H HH   . TYR   A 1 42  ? -34.942 8.455   -8.95   0   30     ? 54  TYR   B HH   1 c 1 
ATOM   614  N N    . VAL   A 1 43  ? -26.223 7.981   -6.018  1   28.108 ? 55  VAL   B N    1 ? 1 
ATOM   615  C CA   . VAL   A 1 43  ? -24.995 8.064   -5.224  1   27.899 ? 55  VAL   B CA   1 ? 1 
ATOM   616  C C    . VAL   A 1 43  ? -24.136 9.229   -5.755  1   28.899 ? 55  VAL   B C    1 ? 1 
ATOM   617  O O    . VAL   A 1 43  ? -24.234 9.622   -6.931  1   29.769 ? 55  VAL   B O    1 ? 1 
ATOM   618  C CB   . VAL   A 1 43  ? -24.155 6.778   -5.17   1   25.569 ? 55  VAL   B CB   1 ? 1 
ATOM   619  C CG1  . VAL   A 1 43  ? -25.024 5.628   -4.621  1   24.856 ? 55  VAL   B CG1  1 ? 1 
ATOM   620  C CG2  . VAL   A 1 43  ? -23.524 6.463   -6.539  1   27.441 ? 55  VAL   B CG2  1 ? 1 
ATOM   621  H H    . VAL   A 1 43  ? -26.167 8.024   -6.929  1   29.068 ? 55  VAL   B H    1 c 1 
ATOM   622  H HA   . VAL   A 1 43  ? -25.252 8.283   -4.31   1   27.634 ? 55  VAL   B HA   1 c 1 
ATOM   623  H HB   . VAL   A 1 43  ? -23.423 6.936   -4.528  1   25.271 ? 55  VAL   B HB   1 c 1 
ATOM   624  H HG11 . VAL   A 1 43  ? -25.716 5.407   -5.268  1   25.647 ? 55  VAL   B HG11 1 c 1 
ATOM   625  H HG12 . VAL   A 1 43  ? -25.439 5.904   -3.787  1   25.199 ? 55  VAL   B HG12 1 c 1 
ATOM   626  H HG13 . VAL   A 1 43  ? -24.468 4.847   -4.463  1   23.735 ? 55  VAL   B HG13 1 c 1 
ATOM   627  H HG21 . VAL   A 1 43  ? -23.23  5.538   -6.553  1   25.837 ? 55  VAL   B HG21 1 c 1 
ATOM   628  H HG22 . VAL   A 1 43  ? -22.761 7.046   -6.689  1   27.052 ? 55  VAL   B HG22 1 c 1 
ATOM   629  H HG23 . VAL   A 1 43  ? -24.182 6.603   -7.241  1   27.953 ? 55  VAL   B HG23 1 c 1 
ATOM   630  N N    . HIS   A 1 44  ? -23.243 9.693   -4.884  1   28.082 ? 56  HIS   B N    1 ? 1 
ATOM   631  C CA   . HIS   A 1 44  ? -22.003 10.371  -5.267  1   29.719 ? 56  HIS   B CA   1 ? 1 
ATOM   632  C C    . HIS   A 1 44  ? -20.871 9.44    -4.842  1   29.006 ? 56  HIS   B C    1 ? 1 
ATOM   633  O O    . HIS   A 1 44  ? -20.997 8.718   -3.881  1   27.131 ? 56  HIS   B O    1 ? 1 
ATOM   634  C CB   . HIS   A 1 44  ? -21.791 11.741  -4.594  1   31.626 ? 56  HIS   B CB   1 ? 1 
ATOM   635  C CG   . HIS   A 1 44  ? -22.454 12.868  -5.299  1   34.743 ? 56  HIS   B CG   1 ? 1 
ATOM   636  N ND1  . HIS   A 1 44  ? -22.18  13.123  -6.624  1   36.312 ? 56  HIS   B ND1  1 ? 1 
ATOM   637  C CD2  . HIS   A 1 44  ? -23.414 13.706  -4.938  1   37.863 ? 56  HIS   B CD2  1 ? 1 
ATOM   638  C CE1  . HIS   A 1 44  ? -22.942 14.12   -7.035  1   38.175 ? 56  HIS   B CE1  1 ? 1 
ATOM   639  N NE2  . HIS   A 1 44  ? -23.723 14.481  -6.028  1   39.786 ? 56  HIS   B NE2  1 ? 1 
ATOM   640  H H    . HIS   A 1 44  ? -23.414 9.586   -3.993  1   28.014 ? 56  HIS   B H    1 c 1 
ATOM   641  H HA   . HIS   A 1 44  ? -21.977 10.47   -6.25   1   30.471 ? 56  HIS   B HA   1 c 1 
ATOM   642  H HB2  . HIS   A 1 44  ? -22.134 11.696  -3.675  1   31.401 ? 56  HIS   B HB2  1 c 1 
ATOM   643  H HB3  . HIS   A 1 44  ? -20.827 11.922  -4.543  1   31.599 ? 56  HIS   B HB3  1 c 1 
ATOM   644  H HD1  . HIS   A 1 44  ? -21.558 12.686  -7.129  0   30     ? 56  HIS   B HD1  1 c 1 
ATOM   645  H HD2  . HIS   A 1 44  ? -23.826 13.755  -4.098  1   37.361 ? 56  HIS   B HD2  1 c 1 
ATOM   646  H HE1  . HIS   A 1 44  ? -22.934 14.503  -7.895  1   39.943 ? 56  HIS   B HE1  1 c 1 
ATOM   647  H HE2  . HIS   A 1 44  ? -24.291 15.126  -6.109  0   30     ? 56  HIS   B HE2  1 c 1 
ATOM   648  N N    . TYR   A 1 45  ? -19.796 9.373   -5.631  1   26.927 ? 57  TYR   B N    1 ? 1 
ATOM   649  C CA   . TYR   A 1 45  ? -18.696 8.476   -5.359  1   24.087 ? 57  TYR   B CA   1 ? 1 
ATOM   650  C C    . TYR   A 1 45  ? -17.386 9.088   -5.894  1   25.751 ? 57  TYR   B C    1 ? 1 
ATOM   651  O O    . TYR   A 1 45  ? -17.4   9.927   -6.789  1   27.252 ? 57  TYR   B O    1 ? 1 
ATOM   652  C CB   . TYR   A 1 45  ? -18.904 7.042   -5.894  1   23.599 ? 57  TYR   B CB   1 ? 1 
ATOM   653  C CG   . TYR   A 1 45  ? -18.678 6.953   -7.392  1   24.096 ? 57  TYR   B CG   1 ? 1 
ATOM   654  C CD1  . TYR   A 1 45  ? -19.72  7.247   -8.28   1   26.392 ? 57  TYR   B CD1  1 ? 1 
ATOM   655  C CD2  . TYR   A 1 45  ? -17.427 6.729   -7.922  1   24.524 ? 57  TYR   B CD2  1 ? 1 
ATOM   656  C CE1  . TYR   A 1 45  ? -19.525 7.284   -9.639  1   28.73  ? 57  TYR   B CE1  1 ? 1 
ATOM   657  C CE2  . TYR   A 1 45  ? -17.213 6.751   -9.288  1   28.342 ? 57  TYR   B CE2  1 ? 1 
ATOM   658  C CZ   . TYR   A 1 45  ? -18.269 7.019   -10.151 1   30.795 ? 57  TYR   B CZ   1 ? 1 
ATOM   659  O OH   . TYR   A 1 45  ? -18.159 7.112   -11.499 1   33.077 ? 57  TYR   B OH   1 ? 1 
ATOM   660  H H    . TYR   A 1 45  ? -19.751 9.911   -6.369  1   28.231 ? 57  TYR   B H    1 c 1 
ATOM   661  H HA   . TYR   A 1 45  ? -18.611 8.413   -4.373  1   24.12  ? 57  TYR   B HA   1 c 1 
ATOM   662  H HB2  . TYR   A 1 45  ? -18.278 6.439   -5.436  1   22.32  ? 57  TYR   B HB2  1 c 1 
ATOM   663  H HB3  . TYR   A 1 45  ? -19.822 6.757   -5.687  1   23.139 ? 57  TYR   B HB3  1 c 1 
ATOM   664  H HD1  . TYR   A 1 45  ? -20.576 7.444   -7.935  1   26.644 ? 57  TYR   B HD1  1 c 1 
ATOM   665  H HD2  . TYR   A 1 45  ? -16.701 6.556   -7.343  1   24.358 ? 57  TYR   B HD2  1 c 1 
ATOM   666  H HE1  . TYR   A 1 45  ? -20.243 7.474   -10.219 1   29.95  ? 57  TYR   B HE1  1 c 1 
ATOM   667  H HE2  . TYR   A 1 45  ? -16.353 6.583   -9.633  1   28.122 ? 57  TYR   B HE2  1 c 1 
ATOM   668  H HH   . TYR   A 1 45  ? -18.923 7.299   -11.851 0   30     ? 57  TYR   B HH   1 c 1 
ATOM   669  N N    . LYS   A 1 46  ? -16.305 8.701   -5.264  1   25.747 ? 58  LYS   B N    1 ? 1 
ATOM   670  C CA   . LYS   A 1 46  ? -14.967 8.831   -5.833  1   30.705 ? 58  LYS   B CA   1 ? 1 
ATOM   671  C C    . LYS   A 1 46  ? -14.26  7.499   -5.711  1   28.405 ? 58  LYS   B C    1 ? 1 
ATOM   672  O O    . LYS   A 1 46  ? -14.357 6.791   -4.701  1   27.776 ? 58  LYS   B O    1 ? 1 
ATOM   673  C CB   . LYS   A 1 46  ? -14.048 9.836   -5.141  1   35.597 ? 58  LYS   B CB   1 ? 1 
ATOM   674  C CG   . LYS   A 1 46  ? -14.455 10.497  -3.865  1   38.64  ? 58  LYS   B CG   1 ? 1 
ATOM   675  C CD   . LYS   A 1 46  ? -13.67  11.776  -3.637  1   36.303 ? 58  LYS   B CD   1 ? 1 
ATOM   676  C CE   . LYS   A 1 46  ? -13.176 12.043  -2.216  1   38.916 ? 58  LYS   B CE   1 ? 1 
ATOM   677  N NZ   . LYS   A 1 46  ? -12.859 13.45   -1.874  1   36.68  ? 58  LYS   B NZ   1 ? 1 
ATOM   678  H H    . LYS   A 1 46  ? -16.387 8.335   -4.43   1   25.516 ? 58  LYS   B H    1 c 1 
ATOM   679  H HA   . LYS   A 1 46  ? -15.051 9.067   -6.791  1   31.07  ? 58  LYS   B HA   1 c 1 
ATOM   680  H HB2  . LYS   A 1 46  ? -13.195 9.378   -4.967  1   34.857 ? 58  LYS   B HB2  1 c 1 
ATOM   681  H HB3  . LYS   A 1 46  ? -13.857 10.545  -5.793  1   36.783 ? 58  LYS   B HB3  1 c 1 
ATOM   682  H HG2  . LYS   A 1 46  ? -15.414 10.708  -3.904  1   36.888 ? 58  LYS   B HG2  1 c 1 
ATOM   683  H HG3  . LYS   A 1 46  ? -14.301 9.879   -3.117  1   35.759 ? 58  LYS   B HG3  1 c 1 
ATOM   684  H HD2  . LYS   A 1 46  ? -12.892 11.771  -4.236  1   38.398 ? 58  LYS   B HD2  1 c 1 
ATOM   685  H HD3  . LYS   A 1 46  ? -14.234 12.531  -3.915  1   38.936 ? 58  LYS   B HD3  1 c 1 
ATOM   686  H HE2  . LYS   A 1 46  ? -13.855 11.724  -1.596  1   36.308 ? 58  LYS   B HE2  1 c 1 
ATOM   687  H HE3  . LYS   A 1 46  ? -12.376 11.508  -2.066  1   36.684 ? 58  LYS   B HE3  1 c 1 
ATOM   688  H HZ1  . LYS   A 1 46  ? -13.622 13.936  -1.837  1   38.498 ? 58  LYS   B HZ1  1 c 1 
ATOM   689  H HZ2  . LYS   A 1 46  ? -12.313 13.802  -2.505  1   39.1   ? 58  LYS   B HZ2  1 c 1 
ATOM   690  H HZ3  . LYS   A 1 46  ? -12.445 13.484  -1.069  1   38.196 ? 58  LYS   B HZ3  1 c 1 
ATOM   691  N N    . GLY   A 1 47  ? -13.559 7.119   -6.777  1   25.988 ? 59  GLY   B N    1 ? 1 
ATOM   692  C CA   . GLY   A 1 47  ? -12.976 5.8     -6.892  1   23.344 ? 59  GLY   B CA   1 ? 1 
ATOM   693  C C    . GLY   A 1 47  ? -11.591 5.887   -7.495  1   22.741 ? 59  GLY   B C    1 ? 1 
ATOM   694  O O    . GLY   A 1 47  ? -11.228 6.919   -8.104  1   25.415 ? 59  GLY   B O    1 ? 1 
ATOM   695  H H    . GLY   A 1 47  ? -13.437 7.711   -7.462  1   27.573 ? 59  GLY   B H    1 c 1 
ATOM   696  H HA2  . GLY   A 1 47  ? -12.924 5.385   -6.001  1   22.278 ? 59  GLY   B HA2  1 c 1 
ATOM   697  H HA3  . GLY   A 1 47  ? -13.552 5.237   -7.46   1   22.841 ? 59  GLY   B HA3  1 c 1 
ATOM   698  N N    . LYS   A 1 48  ? -10.808 4.832   -7.265  1   23.337 ? 60  LYS   B N    1 ? 1 
ATOM   699  C CA   . LYS   A 1 48  ? -9.512  4.72    -7.881  1   24.217 ? 60  LYS   B CA   1 ? 1 
ATOM   700  C C    . LYS   A 1 48  ? -9.04   3.274   -7.809  1   23.788 ? 60  LYS   B C    1 ? 1 
ATOM   701  O O    . LYS   A 1 48  ? -9.545  2.444   -7.043  1   22.323 ? 60  LYS   B O    1 ? 1 
ATOM   702  C CB   . LYS   A 1 48  ? -8.485  5.557   -7.136  1   25.908 ? 60  LYS   B CB   1 ? 1 
ATOM   703  C CG   . LYS   A 1 48  ? -8.448  5.208   -5.67   1   25.486 ? 60  LYS   B CG   1 ? 1 
ATOM   704  C CD   . LYS   A 1 48  ? -7.385  6.026   -5.01   1   28.797 ? 60  LYS   B CD   1 ? 1 
ATOM   705  C CE   . LYS   A 1 48  ? -7.138  5.848   -3.574  1   31     ? 60  LYS   B CE   1 ? 1 
ATOM   706  N NZ   . LYS   A 1 48  ? -5.876  6.59    -3.251  1   33.417 ? 60  LYS   B NZ   1 ? 1 
ATOM   707  H H    . LYS   A 1 48  ? -11.095 4.167   -6.707  1   21.681 ? 60  LYS   B H    1 c 1 
ATOM   708  H HA   . LYS   A 1 48  ? -9.578  5.003   -8.826  1   25.61  ? 60  LYS   B HA   1 c 1 
ATOM   709  H HB2  . LYS   A 1 48  ? -7.596  5.409   -7.522  1   26.929 ? 60  LYS   B HB2  1 c 1 
ATOM   710  H HB3  . LYS   A 1 48  ? -8.707  6.508   -7.232  1   27.048 ? 60  LYS   B HB3  1 c 1 
ATOM   711  H HG2  . LYS   A 1 48  ? -9.32   5.404   -5.263  1   24.969 ? 60  LYS   B HG2  1 c 1 
ATOM   712  H HG3  . LYS   A 1 48  ? -8.247  4.254   -5.561  1   24.732 ? 60  LYS   B HG3  1 c 1 
ATOM   713  H HD2  . LYS   A 1 48  ? -6.544  5.855   -5.487  1   29.844 ? 60  LYS   B HD2  1 c 1 
ATOM   714  H HD3  . LYS   A 1 48  ? -7.601  6.971   -5.167  1   30.07  ? 60  LYS   B HD3  1 c 1 
ATOM   715  H HE2  . LYS   A 1 48  ? -7.876  6.212   -3.053  1   29.969 ? 60  LYS   B HE2  1 c 1 
ATOM   716  H HE3  . LYS   A 1 48  ? -7.03   4.904   -3.36   1   29.336 ? 60  LYS   B HE3  1 c 1 
ATOM   717  H HZ1  . LYS   A 1 48  ? -5.935  7.446   -3.543  1   34.445 ? 60  LYS   B HZ1  1 c 1 
ATOM   718  H HZ2  . LYS   A 1 48  ? -5.17   6.186   -3.651  1   33.727 ? 60  LYS   B HZ2  1 c 1 
ATOM   719  H HZ3  . LYS   A 1 48  ? -5.746  6.591   -2.355  1   33.264 ? 60  LYS   B HZ3  1 c 1 
ATOM   720  N N    . LEU   A 1 49  ? -8.024  2.997   -8.591  1   24.054 ? 61  LEU   B N    1 ? 1 
ATOM   721  C CA   . LEU   A 1 49  ? -7.318  1.737   -8.456  1   26.075 ? 61  LEU   B CA   1 ? 1 
ATOM   722  C C    . LEU   A 1 49  ? -6.66   1.797   -7.087  1   27.417 ? 61  LEU   B C    1 ? 1 
ATOM   723  O O    . LEU   A 1 49  ? -6.23   2.844   -6.687  1   28.26  ? 61  LEU   B O    1 ? 1 
ATOM   724  C CB   . LEU   A 1 49  ? -6.284  1.594   -9.583  1   26.071 ? 61  LEU   B CB   1 ? 1 
ATOM   725  C CG   . LEU   A 1 49  ? -6.842  1.568   -11.002 1   28.524 ? 61  LEU   B CG   1 ? 1 
ATOM   726  C CD1  . LEU   A 1 49  ? -5.7    1.276   -11.984 1   31.857 ? 61  LEU   B CD1  1 ? 1 
ATOM   727  C CD2  . LEU   A 1 49  ? -7.905  0.538   -11.211 1   28.001 ? 61  LEU   B CD2  1 ? 1 
ATOM   728  H H    . LEU   A 1 49  ? -7.752  3.599   -9.223  1   26.242 ? 61  LEU   B H    1 c 1 
ATOM   729  H HA   . LEU   A 1 49  ? -7.967  0.99    -8.489  1   24.338 ? 61  LEU   B HA   1 c 1 
ATOM   730  H HB2  . LEU   A 1 49  ? -5.648  2.342   -9.513  1   28.135 ? 61  LEU   B HB2  1 c 1 
ATOM   731  H HB3  . LEU   A 1 49  ? -5.781  0.761   -9.432  1   26.491 ? 61  LEU   B HB3  1 c 1 
ATOM   732  H HG   . LEU   A 1 49  ? -7.219  2.462   -11.211 1   29.332 ? 61  LEU   B HG   1 c 1 
ATOM   733  H HD11 . LEU   A 1 49  ? -4.988  1.925   -11.857 1   32.68  ? 61  LEU   B HD11 1 c 1 
ATOM   734  H HD12 . LEU   A 1 49  ? -6.032  1.334   -12.896 1   32.345 ? 61  LEU   B HD12 1 c 1 
ATOM   735  H HD13 . LEU   A 1 49  ? -5.354  0.382   -11.823 1   30.881 ? 61  LEU   B HD13 1 c 1 
ATOM   736  H HD21 . LEU   A 1 49  ? -8.716  0.81    -10.75  1   26.758 ? 61  LEU   B HD21 1 c 1 
ATOM   737  H HD22 . LEU   A 1 49  ? -7.603  -0.316  -10.858 1   26.925 ? 61  LEU   B HD22 1 c 1 
ATOM   738  H HD23 . LEU   A 1 49  ? -8.089  0.447   -12.161 1   28.607 ? 61  LEU   B HD23 1 c 1 
ATOM   739  N N    . SER   A 1 50  ? -6.518  0.662   -6.42   1   25.113 ? 62  SER   B N    1 ? 1 
ATOM   740  C CA   . SER   A 1 50  ? -5.845  0.551   -5.154  1   31.564 ? 62  SER   B CA   1 ? 1 
ATOM   741  C C    . SER   A 1 50  ? -4.468  1.217   -5.223  1   31.02  ? 62  SER   B C    1 ? 1 
ATOM   742  O O    . SER   A 1 50  ? -4.054  1.807   -4.231  1   33.927 ? 62  SER   B O    1 ? 1 
ATOM   743  C CB   . SER   A 1 50  ? -5.675  -0.937  -4.776  1   30.477 ? 62  SER   B CB   1 ? 1 
ATOM   744  O OG   . SER   A 1 50  ? -5.305  -0.955  -3.422  1   47.734 ? 62  SER   B OG   1 ? 1 
ATOM   745  H H    . SER   A 1 50  ? -6.869  -0.098  -6.786  1   26.091 ? 62  SER   B H    1 c 1 
ATOM   746  H HA   . SER   A 1 50  ? -6.389  1.004   -4.461  1   29.211 ? 62  SER   B HA   1 c 1 
ATOM   747  H HB2  . SER   A 1 50  ? -6.515  -1.415  -4.9    1   32.532 ? 62  SER   B HB2  1 c 1 
ATOM   748  H HB3  . SER   A 1 50  ? -4.979  -1.348  -5.323  1   34.527 ? 62  SER   B HB3  1 c 1 
ATOM   749  H HG   . SER   A 1 50  ? -5.205  -1.753  -3.173  0   30     ? 62  SER   B HG   1 c 1 
ATOM   750  N N    . ASN   A 1 51  ? -3.766  1.077   -6.354  1   30.709 ? 63  ASN   B N    1 ? 1 
ATOM   751  C CA   . ASN   A 1 51  ? -2.407  1.552   -6.614  1   36.266 ? 63  ASN   B CA   1 ? 1 
ATOM   752  C C    . ASN   A 1 51  ? -2.361  3.048   -6.985  1   38.393 ? 63  ASN   B C    1 ? 1 
ATOM   753  O O    . ASN   A 1 51  ? -1.277  3.576   -7.125  1   42.122 ? 63  ASN   B O    1 ? 1 
ATOM   754  C CB   . ASN   A 1 51  ? -1.751  0.802   -7.783  1   33.728 ? 63  ASN   B CB   1 ? 1 
ATOM   755  H H    . ASN   A 1 51  ? -4.178  0.626   -7.034  1   31.3   ? 63  ASN   B H    1 c 1 
ATOM   756  H HA   . ASN   A 1 51  ? -1.86   1.401   -5.81   1   35.142 ? 63  ASN   B HA   1 c 1 
ATOM   757  H HB2  . ASN   A 1 51  ? -0.719  0.853   -7.546  0   30     ? 63  ASN   B HB2  1 c 1 
ATOM   758  H HB3  . ASN   A 1 51  ? -2.351  0.344   -8.247  0   30     ? 63  ASN   B HB3  1 c 1 
ATOM   759  N N    . GLY   A 1 52  ? -3.52   3.752   -7.112  1   42.694 ? 64  GLY   B N    1 ? 1 
ATOM   760  C CA   . GLY   A 1 52  ? -3.598  5.193   -7.381  1   40.494 ? 64  GLY   B CA   1 ? 1 
ATOM   761  C C    . GLY   A 1 52  ? -3.456  5.529   -8.866  1   42.957 ? 64  GLY   B C    1 ? 1 
ATOM   762  O O    . GLY   A 1 52  ? -3.257  6.681   -9.208  1   48.857 ? 64  GLY   B O    1 ? 1 
ATOM   763  H H    . GLY   A 1 52  ? -4.307  3.296   -7.033  1   38.801 ? 64  GLY   B H    1 c 1 
ATOM   764  H HA2  . GLY   A 1 52  ? -4.464  5.531   -7.053  1   40.578 ? 64  GLY   B HA2  1 c 1 
ATOM   765  H HA3  . GLY   A 1 52  ? -2.886  5.651   -6.874  1   42.71  ? 64  GLY   B HA3  1 c 1 
ATOM   766  N N    . LYS   A 1 53  ? -3.424  4.536   -9.756  1   41.63  ? 65  LYS   B N    1 ? 1 
ATOM   767  C CA   . LYS   A 1 53  ? -2.936  4.833   -11.108 1   43.708 ? 65  LYS   B CA   1 ? 1 
ATOM   768  C C    . LYS   A 1 53  ? -4.09   5.375   -11.984 1   42.738 ? 65  LYS   B C    1 ? 1 
ATOM   769  O O    . LYS   A 1 53  ? -3.846  5.993   -13.021 1   45.156 ? 65  LYS   B O    1 ? 1 
ATOM   770  C CB   . LYS   A 1 53  ? -2.085  3.657   -11.644 1   44.972 ? 65  LYS   B CB   1 ? 1 
ATOM   771  H H    . LYS   A 1 53  ? -3.708  3.693   -9.544  1   40.147 ? 65  LYS   B H    1 c 1 
ATOM   772  H HA   . LYS   A 1 53  ? -2.286  5.575   -11.022 1   45.559 ? 65  LYS   B HA   1 c 1 
ATOM   773  H HB2  . LYS   A 1 53  ? -1.203  3.827   -11.613 0   30     ? 65  LYS   B HB2  1 c 1 
ATOM   774  H HB3  . LYS   A 1 53  ? -2.809  2.984   -12.021 0   30     ? 65  LYS   B HB3  1 c 1 
ATOM   775  N N    . LYS   A 1 54  ? -5.367  5.277   -11.536 1   37.582 ? 66  LYS   B N    1 ? 1 
ATOM   776  C CA   . LYS   A 1 54  ? -6.503  5.853   -12.245 1   37.021 ? 66  LYS   B CA   1 ? 1 
ATOM   777  C C    . LYS   A 1 54  ? -7.533  6.229   -11.18  1   38.368 ? 66  LYS   B C    1 ? 1 
ATOM   778  O O    . LYS   A 1 54  ? -7.651  5.538   -10.16  1   33.83  ? 66  LYS   B O    1 ? 1 
ATOM   779  C CB   . LYS   A 1 54  ? -7.09   4.879   -13.28  1   40.274 ? 66  LYS   B CB   1 ? 1 
ATOM   780  H H    . LYS   A 1 54  ? -5.528  4.821   -10.761 1   36.419 ? 66  LYS   B H    1 c 1 
ATOM   781  H HA   . LYS   A 1 54  ? -6.203  6.677   -12.706 1   40.474 ? 66  LYS   B HA   1 c 1 
ATOM   782  H HB2  . LYS   A 1 54  ? -6.366  4.431   -13.713 0   30     ? 66  LYS   B HB2  1 c 1 
ATOM   783  H HB3  . LYS   A 1 54  ? -8.074  4.942   -13.184 0   30     ? 66  LYS   B HB3  1 c 1 
ATOM   784  N N    . PHE   A 1 55  ? -8.255  7.305   -11.458 1   38.353 ? 67  PHE   B N    1 ? 1 
ATOM   785  C CA   . PHE   A 1 55  ? -9.268  7.871   -10.583 1   44.501 ? 67  PHE   B CA   1 ? 1 
ATOM   786  C C    . PHE   A 1 55  ? -10.516 8.238   -11.333 1   42.464 ? 67  PHE   B C    1 ? 1 
ATOM   787  O O    . PHE   A 1 55  ? -10.421 8.561   -12.525 1   44.975 ? 67  PHE   B O    1 ? 1 
ATOM   788  C CB   . PHE   A 1 55  ? -8.879  9.256   -10.111 1   43.531 ? 67  PHE   B CB   1 ? 1 
ATOM   789  C CG   . PHE   A 1 55  ? -7.739  9.17    -9.127  1   47.563 ? 67  PHE   B CG   1 ? 1 
ATOM   790  C CD1  . PHE   A 1 55  ? -6.426  8.947   -9.578  1   50.721 ? 67  PHE   B CD1  1 ? 1 
ATOM   791  C CD2  . PHE   A 1 55  ? -7.984  9.297   -7.748  1   50.789 ? 67  PHE   B CD2  1 ? 1 
ATOM   792  C CE1  . PHE   A 1 55  ? -5.356  8.89    -8.677  1   52.613 ? 67  PHE   B CE1  1 ? 1 
ATOM   793  C CE2  . PHE   A 1 55  ? -6.911  9.222   -6.843  1   54.836 ? 67  PHE   B CE2  1 ? 1 
ATOM   794  C CZ   . PHE   A 1 55  ? -5.602  9.033   -7.308  1   53.543 ? 67  PHE   B CZ   1 ? 1 
ATOM   795  H H    . PHE   A 1 55  ? -8.109  7.721   -12.259 1   41.802 ? 67  PHE   B H    1 c 1 
ATOM   796  H HA   . PHE   A 1 55  ? -9.467  7.272   -9.817  1   39.985 ? 67  PHE   B HA   1 c 1 
ATOM   797  H HB2  . PHE   A 1 55  ? -8.603  9.796   -10.885 1   47.026 ? 67  PHE   B HB2  1 c 1 
ATOM   798  H HB3  . PHE   A 1 55  ? -9.651  9.683   -9.677  1   44.603 ? 67  PHE   B HB3  1 c 1 
ATOM   799  H HD1  . PHE   A 1 55  ? -6.26   8.874   -10.504 1   51.734 ? 67  PHE   B HD1  1 c 1 
ATOM   800  H HD2  . PHE   A 1 55  ? -8.862  9.44    -7.434  1   49.535 ? 67  PHE   B HD2  1 c 1 
ATOM   801  H HE1  . PHE   A 1 55  ? -4.478  8.753   -8.991  1   53.885 ? 67  PHE   B HE1  1 c 1 
ATOM   802  H HE2  . PHE   A 1 55  ? -7.072  9.316   -5.918  1   52.493 ? 67  PHE   B HE2  1 c 1 
ATOM   803  H HZ   . PHE   A 1 55  ? -4.889  8.973   -6.693  1   53.905 ? 67  PHE   B HZ   1 c 1 
ATOM   804  N N    . ASP   A 1 56  ? -11.614 8.332   -10.589 1   36.771 ? 68  ASP   B N    1 ? 1 
ATOM   805  C CA   . ASP   A 1 56  ? -12.916 8.537   -11.202 1   37.737 ? 68  ASP   B CA   1 ? 1 
ATOM   806  C C    . ASP   A 1 56  ? -13.861 9.045   -10.14  1   38.899 ? 68  ASP   B C    1 ? 1 
ATOM   807  O O    . ASP   A 1 56  ? -13.85  8.573   -9.017  1   37.541 ? 68  ASP   B O    1 ? 1 
ATOM   808  C CB   . ASP   A 1 56  ? -13.572 7.255   -11.719 1   37.009 ? 68  ASP   B CB   1 ? 1 
ATOM   809  C CG   . ASP   A 1 56  ? -14.929 7.424   -12.374 1   44.641 ? 68  ASP   B CG   1 ? 1 
ATOM   810  O OD1  . ASP   A 1 56  ? -15.12  8.443   -13.119 1   45.467 ? 68  ASP   B OD1  1 ? 1 
ATOM   811  O OD2  . ASP   A 1 56  ? -15.8   6.544   -12.134 1   41.173 ? 68  ASP   B OD2  1 ? 1 
ATOM   812  H H    . ASP   A 1 56  ? -11.555 8.266   -9.679  1   36.919 ? 68  ASP   B H    1 c 1 
ATOM   813  H HA   . ASP   A 1 56  ? -12.835 9.203   -11.922 1   40.07  ? 68  ASP   B HA   1 c 1 
ATOM   814  H HB2  . ASP   A 1 56  ? -12.964 6.878   -12.386 1   38.754 ? 68  ASP   B HB2  1 c 1 
ATOM   815  H HB3  . ASP   A 1 56  ? -13.654 6.612   -10.983 1   36.559 ? 68  ASP   B HB3  1 c 1 
ATOM   816  N N    . SER   A 1 57  ? -14.709 9.99    -10.512 1   40.664 ? 69  SER   B N    1 ? 1 
ATOM   817  C CA   . SER   A 1 57  ? -15.681 10.516  -9.579  1   40.376 ? 69  SER   B CA   1 ? 1 
ATOM   818  C C    . SER   A 1 57  ? -16.928 10.918  -10.345 1   42.795 ? 69  SER   B C    1 ? 1 
ATOM   819  O O    . SER   A 1 57  ? -16.834 11.462  -11.461 1   43.637 ? 69  SER   B O    1 ? 1 
ATOM   820  C CB   . SER   A 1 57  ? -15.118 11.723  -8.868  1   48.077 ? 69  SER   B CB   1 ? 1 
ATOM   821  O OG   . SER   A 1 57  ? -16.023 12.19   -7.867  1   49.917 ? 69  SER   B OG   1 ? 1 
ATOM   822  H H    . SER   A 1 57  ? -14.685 10.32   -11.365 1   42.15  ? 69  SER   B H    1 c 1 
ATOM   823  H HA   . SER   A 1 57  ? -15.913 9.818   -8.916  1   39.743 ? 69  SER   B HA   1 c 1 
ATOM   824  H HB2  . SER   A 1 57  ? -14.267 11.486  -8.453  1   46.445 ? 69  SER   B HB2  1 c 1 
ATOM   825  H HB3  . SER   A 1 57  ? -14.956 12.434  -9.517  1   48.835 ? 69  SER   B HB3  1 c 1 
ATOM   826  H HG   . SER   A 1 57  ? -15.69  12.861  -7.475  0   30     ? 69  SER   B HG   1 c 1 
ATOM   827  N N    . SER   A 1 58  ? -18.067 10.692  -9.702  1   39.506 ? 70  SER   B N    1 ? 1 
ATOM   828  C CA   . SER   A 1 58  ? -19.318 11.251  -10.163 1   40.509 ? 70  SER   B CA   1 ? 1 
ATOM   829  C C    . SER   A 1 58  ? -19.157 12.733  -10.448 1   47.237 ? 70  SER   B C    1 ? 1 
ATOM   830  O O    . SER   A 1 58  ? -19.741 13.25   -11.437 1   46.369 ? 70  SER   B O    1 ? 1 
ATOM   831  C CB   . SER   A 1 58  ? -20.438 10.998  -9.211  1   37.034 ? 70  SER   B CB   1 ? 1 
ATOM   832  O OG   . SER   A 1 58  ? -20.107 11.341  -7.883  1   35.617 ? 70  SER   B OG   1 ? 1 
ATOM   833  H H    . SER   A 1 58  ? -18.067 10.171  -8.951  1   38.379 ? 70  SER   B H    1 c 1 
ATOM   834  H HA   . SER   A 1 58  ? -19.544 10.806  -11.019 1   41.177 ? 70  SER   B HA   1 c 1 
ATOM   835  H HB2  . SER   A 1 58  ? -21.218 11.515  -9.491  1   38.734 ? 70  SER   B HB2  1 c 1 
ATOM   836  H HB3  . SER   A 1 58  ? -20.679 10.053  -9.247  1   36.164 ? 70  SER   B HB3  1 c 1 
ATOM   837  H HG   . SER   A 1 58  ? -20.787 11.154  -7.416  0   30     ? 70  SER   B HG   1 c 1 
ATOM   838  N N    . HIS   A 1 59  ? -18.411 13.409  -9.554  1   47.153 ? 71  HIS   B N    1 ? 1 
ATOM   839  C CA   . HIS   A 1 59  ? -18.252 14.864  -9.651  1   49.658 ? 71  HIS   B CA   1 ? 1 
ATOM   840  C C    . HIS   A 1 59  ? -17.658 15.33   -10.991 1   52.911 ? 71  HIS   B C    1 ? 1 
ATOM   841  O O    . HIS   A 1 59  ? -18     16.393  -11.475 1   55.376 ? 71  HIS   B O    1 ? 1 
ATOM   842  C CB   . HIS   A 1 59  ? -17.425 15.39   -8.468  1   48.953 ? 71  HIS   B CB   1 ? 1 
ATOM   843  C CG   . HIS   A 1 59  ? -18.027 15.013  -7.153  1   48.246 ? 71  HIS   B CG   1 ? 1 
ATOM   844  N ND1  . HIS   A 1 59  ? -19.323 15.401  -6.86   1   48.19  ? 71  HIS   B ND1  1 ? 1 
ATOM   845  C CD2  . HIS   A 1 59  ? -17.637 14.18   -6.139  1   47.95  ? 71  HIS   B CD2  1 ? 1 
ATOM   846  C CE1  . HIS   A 1 59  ? -19.656 14.93   -5.66   1   45.444 ? 71  HIS   B CE1  1 ? 1 
ATOM   847  N NE2  . HIS   A 1 59  ? -18.662 14.2    -5.214  1   44.494 ? 71  HIS   B NE2  1 ? 1 
ATOM   848  H H    . HIS   A 1 59  ? -18.002 12.963  -8.87   1   45.606 ? 71  HIS   B H    1 c 1 
ATOM   849  H HA   . HIS   A 1 59  ? -19.158 15.252  -9.575  1   50.419 ? 71  HIS   B HA   1 c 1 
ATOM   850  H HB2  . HIS   A 1 59  ? -16.517 15.021  -8.525  1   48.832 ? 71  HIS   B HB2  1 c 1 
ATOM   851  H HB3  . HIS   A 1 59  ? -17.369 16.369  -8.528  1   51.354 ? 71  HIS   B HB3  1 c 1 
ATOM   852  H HD1  . HIS   A 1 59  ? -19.855 15.894  -7.351  0   30     ? 71  HIS   B HD1  1 c 1 
ATOM   853  H HD2  . HIS   A 1 59  ? -16.809 13.755  -6.037  1   46.07  ? 71  HIS   B HD2  1 c 1 
ATOM   854  H HE1  . HIS   A 1 59  ? -20.476 15.076  -5.221  1   46.022 ? 71  HIS   B HE1  1 c 1 
ATOM   855  H HE2  . HIS   A 1 59  ? -18.657 13.783  -4.424  0   30     ? 71  HIS   B HE2  1 c 1 
ATOM   856  N N    . ASP   A 1 60  ? -16.784 14.507  -11.591 1   56.257 ? 72  ASP   B N    1 ? 1 
ATOM   857  C CA   . ASP   A 1 60  ? -16.237 14.707  -12.935 1   66.114 ? 72  ASP   B CA   1 ? 1 
ATOM   858  C C    . ASP   A 1 60  ? -17.358 15.028  -13.944 1   70.208 ? 72  ASP   B C    1 ? 1 
ATOM   859  O O    . ASP   A 1 60  ? -17.146 15.774  -14.912 1   69.577 ? 72  ASP   B O    1 ? 1 
ATOM   860  C CB   . ASP   A 1 60  ? -15.412 13.49   -13.373 1   64.842 ? 72  ASP   B CB   1 ? 1 
ATOM   861  C CG   . ASP   A 1 60  ? -14.149 13.174  -12.568 1   62.132 ? 72  ASP   B CG   1 ? 1 
ATOM   862  O OD1  . ASP   A 1 60  ? -13.67  14.117  -11.884 1   62.329 ? 72  ASP   B OD1  1 ? 1 
ATOM   863  O OD2  . ASP   A 1 60  ? -13.644 12.002  -12.635 1   48.819 ? 72  ASP   B OD2  1 ? 1 
ATOM   864  H H    . ASP   A 1 60  ? -16.506 13.771  -11.126 1   54.781 ? 72  ASP   B H    1 c 1 
ATOM   865  H HA   . ASP   A 1 60  ? -15.627 15.478  -12.901 1   66.525 ? 72  ASP   B HA   1 c 1 
ATOM   866  H HB2  . ASP   A 1 60  ? -15.989 12.699  -13.36  1   62.778 ? 72  ASP   B HB2  1 c 1 
ATOM   867  H HB3  . ASP   A 1 60  ? -15.137 13.634  -14.302 1   66.272 ? 72  ASP   B HB3  1 c 1 
ATOM   868  N N    . ARG   A 1 61  ? -18.561 14.454  -13.717 1   69.326 ? 73  ARG   B N    1 ? 1 
ATOM   869  C CA   . ARG   A 1 61  ? -19.701 14.59   -14.624 1   65.633 ? 73  ARG   B CA   1 ? 1 
ATOM   870  C C    . ARG   A 1 61  ? -20.737 15.597  -14.09  1   65.7   ? 73  ARG   B C    1 ? 1 
ATOM   871  O O    . ARG   A 1 61  ? -21.689 15.909  -14.807 1   67.964 ? 73  ARG   B O    1 ? 1 
ATOM   872  C CB   . ARG   A 1 61  ? -20.24  13.189  -14.97  1   59.729 ? 73  ARG   B CB   1 ? 1 
ATOM   873  H H    . ARG   A 1 61  ? -18.666 13.938  -12.971 1   65.358 ? 73  ARG   B H    1 c 1 
ATOM   874  H HA   . ARG   A 1 61  ? -19.357 14.959  -15.476 1   67.754 ? 73  ARG   B HA   1 c 1 
ATOM   875  H HB2  . ARG   A 1 61  ? -19.582 12.571  -15.058 0   30     ? 73  ARG   B HB2  1 c 1 
ATOM   876  H HB3  . ARG   A 1 61  ? -21.297 13.274  -14.909 0   30     ? 73  ARG   B HB3  1 c 1 
ATOM   877  N N    . ASN   A 1 62  ? -20.543 16.159  -12.878 1   57.73  ? 74  ASN   B N    1 ? 1 
ATOM   878  C CA   . ASN   A 1 62  ? -21.382 17.246  -12.375 1   55.3   ? 74  ASN   B CA   1 ? 1 
ATOM   879  C C    . ASN   A 1 62  ? -22.821 16.788  -12.037 1   54.482 ? 74  ASN   B C    1 ? 1 
ATOM   880  O O    . ASN   A 1 62  ? -23.725 17.609  -11.952 1   57.69  ? 74  ASN   B O    1 ? 1 
ATOM   881  C CB   . ASN   A 1 62  ? -21.24  18.486  -13.287 1   57.788 ? 74  ASN   B CB   1 ? 1 
ATOM   882  H H    . ASN   A 1 62  ? -19.871 15.848  -12.345 1   56.895 ? 74  ASN   B H    1 c 1 
ATOM   883  H HA   . ASN   A 1 62  ? -20.988 17.511  -11.514 1   55.033 ? 74  ASN   B HA   1 c 1 
ATOM   884  H HB2  . ASN   A 1 62  ? -20.319 18.658  -13.39  0   30     ? 74  ASN   B HB2  1 c 1 
ATOM   885  H HB3  . ASN   A 1 62  ? -22.162 18.762  -13.465 0   30     ? 74  ASN   B HB3  1 c 1 
ATOM   886  N N    . GLU   A 1 63  ? -23.063 15.504  -11.681 1   55.653 ? 75  GLU   B N    1 ? 1 
ATOM   887  C CA   . GLU   A 1 63  ? -24.422 15.03   -11.391 1   52.813 ? 75  GLU   B CA   1 ? 1 
ATOM   888  C C    . GLU   A 1 63  ? -24.316 13.725  -10.602 1   44.245 ? 75  GLU   B C    1 ? 1 
ATOM   889  O O    . GLU   A 1 63  ? -23.338 12.97   -10.761 1   41.384 ? 75  GLU   B O    1 ? 1 
ATOM   890  C CB   . GLU   A 1 63  ? -25.247 14.825  -12.682 1   56.806 ? 75  GLU   B CB   1 ? 1 
ATOM   891  C CG   . GLU   A 1 63  ? -24.63  13.749  -13.588 1   63.586 ? 75  GLU   B CG   1 ? 1 
ATOM   892  C CD   . GLU   A 1 63  ? -25.002 13.54   -15.07  1   69.863 ? 75  GLU   B CD   1 ? 1 
ATOM   893  O OE1  . GLU   A 1 63  ? -24.536 12.475  -15.604 1   66.016 ? 75  GLU   B OE1  1 ? 1 
ATOM   894  O OE2  . GLU   A 1 63  ? -25.708 14.372  -15.691 1   72.192 ? 75  GLU   B OE2  1 ? 1 
ATOM   895  H H    . GLU   A 1 63  ? -22.366 14.915  -11.616 1   52.588 ? 75  GLU   B H    1 c 1 
ATOM   896  H HA   . GLU   A 1 63  ? -24.873 15.707  -10.827 1   53.232 ? 75  GLU   B HA   1 c 1 
ATOM   897  H HB2  . GLU   A 1 63  ? -26.16  14.564  -12.439 1   57.759 ? 75  GLU   B HB2  1 c 1 
ATOM   898  H HB3  . GLU   A 1 63  ? -25.296 15.674  -13.168 1   60.138 ? 75  GLU   B HB3  1 c 1 
ATOM   899  H HG2  . GLU   A 1 63  ? -23.658 13.88   -13.564 1   61.917 ? 75  GLU   B HG2  1 c 1 
ATOM   900  H HG3  . GLU   A 1 63  ? -24.777 12.886  -13.145 1   60.339 ? 75  GLU   B HG3  1 c 1 
ATOM   901  N N    . PRO   A 1 64  ? -25.32  13.35   -9.771  1   41.766 ? 76  PRO   B N    1 ? 1 
ATOM   902  C CA   . PRO   A 1 64  ? -25.298 12.026  -9.139  1   39.707 ? 76  PRO   B CA   1 ? 1 
ATOM   903  C C    . PRO   A 1 64  ? -25.261 10.904  -10.17  1   37.484 ? 76  PRO   B C    1 ? 1 
ATOM   904  O O    . PRO   A 1 64  ? -25.712 11.086  -11.31  1   37.057 ? 76  PRO   B O    1 ? 1 
ATOM   905  C CB   . PRO   A 1 64  ? -26.581 11.957  -8.327  1   40.241 ? 76  PRO   B CB   1 ? 1 
ATOM   906  C CG   . PRO   A 1 64  ? -27.137 13.34   -8.285  1   42.909 ? 76  PRO   B CG   1 ? 1 
ATOM   907  C CD   . PRO   A 1 64  ? -26.559 14.085  -9.486  1   45.771 ? 76  PRO   B CD   1 ? 1 
ATOM   908  H HA   . PRO   A 1 64  ? -24.521 11.959  -8.545  1   38.046 ? 76  PRO   B HA   1 c 1 
ATOM   909  H HB2  . PRO   A 1 64  ? -27.219 11.344  -8.742  1   40.307 ? 76  PRO   B HB2  1 c 1 
ATOM   910  H HB3  . PRO   A 1 64  ? -26.397 11.635  -7.423  1   38.805 ? 76  PRO   B HB3  1 c 1 
ATOM   911  H HG2  . PRO   A 1 64  ? -28.114 13.318  -8.338  1   44.079 ? 76  PRO   B HG2  1 c 1 
ATOM   912  H HG3  . PRO   A 1 64  ? -26.882 13.787  -7.454  1   42.852 ? 76  PRO   B HG3  1 c 1 
ATOM   913  H HD2  . PRO   A 1 64  ? -27.166 14.051  -10.251 1   46.366 ? 76  PRO   B HD2  1 c 1 
ATOM   914  H HD3  . PRO   A 1 64  ? -26.368 15.017  -9.265  1   46.265 ? 76  PRO   B HD3  1 c 1 
ATOM   915  N N    . PHE   A 1 65  ? -24.656 9.81    -9.756  1   33.495 ? 77  PHE   B N    1 ? 1 
ATOM   916  C CA   . PHE   A 1 65  ? -24.646 8.548   -10.493 1   33.726 ? 77  PHE   B CA   1 ? 1 
ATOM   917  C C    . PHE   A 1 65  ? -25.875 7.733   -10.072 1   33.738 ? 77  PHE   B C    1 ? 1 
ATOM   918  O O    . PHE   A 1 65  ? -26.091 7.499   -8.869  1   29.117 ? 77  PHE   B O    1 ? 1 
ATOM   919  C CB   . PHE   A 1 65  ? -23.369 7.754   -10.281 1   32.093 ? 77  PHE   B CB   1 ? 1 
ATOM   920  C CG   . PHE   A 1 65  ? -23.358 6.422   -11.011 1   31.414 ? 77  PHE   B CG   1 ? 1 
ATOM   921  C CD1  . PHE   A 1 65  ? -23.534 6.36    -12.381 1   38.532 ? 77  PHE   B CD1  1 ? 1 
ATOM   922  C CD2  . PHE   A 1 65  ? -23.242 5.235   -10.305 1   31.471 ? 77  PHE   B CD2  1 ? 1 
ATOM   923  C CE1  . PHE   A 1 65  ? -23.517 5.135   -13.046 1   38.976 ? 77  PHE   B CE1  1 ? 1 
ATOM   924  C CE2  . PHE   A 1 65  ? -23.247 4.011   -10.979 1   31.987 ? 77  PHE   B CE2  1 ? 1 
ATOM   925  C CZ   . PHE   A 1 65  ? -23.414 3.963   -12.333 1   34.336 ? 77  PHE   B CZ   1 ? 1 
ATOM   926  H H    . PHE   A 1 65  ? -24.214 9.839   -8.957  1   33.045 ? 77  PHE   B H    1 c 1 
ATOM   927  H HA   . PHE   A 1 65  ? -24.723 8.755   -11.461 1   35.121 ? 77  PHE   B HA   1 c 1 
ATOM   928  H HB2  . PHE   A 1 65  ? -22.608 8.295   -10.591 1   32.494 ? 77  PHE   B HB2  1 c 1 
ATOM   929  H HB3  . PHE   A 1 65  ? -23.255 7.594   -9.318  1   30.758 ? 77  PHE   B HB3  1 c 1 
ATOM   930  H HD1  . PHE   A 1 65  ? -23.614 7.159   -12.876 1   38.795 ? 77  PHE   B HD1  1 c 1 
ATOM   931  H HD2  . PHE   A 1 65  ? -23.139 5.256   -9.367  1   30.179 ? 77  PHE   B HD2  1 c 1 
ATOM   932  H HE1  . PHE   A 1 65  ? -23.634 5.108   -13.982 1   39.47  ? 77  PHE   B HE1  1 c 1 
ATOM   933  H HE2  . PHE   A 1 65  ? -23.161 3.208   -10.49  1   30.742 ? 77  PHE   B HE2  1 c 1 
ATOM   934  H HZ   . PHE   A 1 65  ? -23.408 3.133   -12.782 1   34.706 ? 77  PHE   B HZ   1 c 1 
ATOM   935  N N    . VAL   A 1 66  ? -26.653 7.27    -11.087 1   33.991 ? 78  VAL   B N    1 ? 1 
ATOM   936  C CA   . VAL   A 1 66  ? -27.932 6.647   -10.803 1   37.028 ? 78  VAL   B CA   1 ? 1 
ATOM   937  C C    . VAL   A 1 66  ? -27.902 5.246   -11.409 1   35.259 ? 78  VAL   B C    1 ? 1 
ATOM   938  O O    . VAL   A 1 66  ? -27.506 5.088   -12.564 1   34.999 ? 78  VAL   B O    1 ? 1 
ATOM   939  C CB   . VAL   A 1 66  ? -29.16  7.447   -11.289 1   41.251 ? 78  VAL   B CB   1 ? 1 
ATOM   940  C CG1  . VAL   A 1 66  ? -30.49  6.775   -10.899 1   43.444 ? 78  VAL   B CG1  1 ? 1 
ATOM   941  C CG2  . VAL   A 1 66  ? -29.154 8.863   -10.726 1   43.459 ? 78  VAL   B CG2  1 ? 1 
ATOM   942  H H    . VAL   A 1 66  ? -26.374 7.345   -11.954 1   35.673 ? 78  VAL   B H    1 c 1 
ATOM   943  H HA   . VAL   A 1 66  ? -28.008 6.552   -9.837  1   35.389 ? 78  VAL   B HA   1 c 1 
ATOM   944  H HB   . VAL   A 1 66  ? -29.11  7.5     -12.272 1   42.715 ? 78  VAL   B HB   1 c 1 
ATOM   945  H HG11 . VAL   A 1 66  ? -30.478 6.557   -9.952  1   41.745 ? 78  VAL   B HG11 1 c 1 
ATOM   946  H HG12 . VAL   A 1 66  ? -30.608 5.961   -11.417 1   43.033 ? 78  VAL   B HG12 1 c 1 
ATOM   947  H HG13 . VAL   A 1 66  ? -31.227 7.382   -11.081 1   44.817 ? 78  VAL   B HG13 1 c 1 
ATOM   948  H HG21 . VAL   A 1 66  ? -30.001 9.297   -10.923 1   44.837 ? 78  VAL   B HG21 1 c 1 
ATOM   949  H HG22 . VAL   A 1 66  ? -28.43  9.37    -11.13  1   43.237 ? 78  VAL   B HG22 1 c 1 
ATOM   950  H HG23 . VAL   A 1 66  ? -29.025 8.829   -9.763  1   41.78  ? 78  VAL   B HG23 1 c 1 
ATOM   951  N N    . PHE   A 1 67  ? -28.287 4.225   -10.634 1   33.414 ? 79  PHE   B N    1 ? 1 
ATOM   952  C CA   . PHE   A 1 67  ? -28.27  2.847   -11.172 1   30.113 ? 79  PHE   B CA   1 ? 1 
ATOM   953  C C    . PHE   A 1 67  ? -29.369 2.031   -10.491 1   32.759 ? 79  PHE   B C    1 ? 1 
ATOM   954  O O    . PHE   A 1 67  ? -29.825 2.361   -9.405  1   33.127 ? 79  PHE   B O    1 ? 1 
ATOM   955  C CB   . PHE   A 1 67  ? -26.895 2.184   -11.111 1   28.633 ? 79  PHE   B CB   1 ? 1 
ATOM   956  C CG   . PHE   A 1 67  ? -26.443 1.79    -9.703  1   26.487 ? 79  PHE   B CG   1 ? 1 
ATOM   957  C CD1  . PHE   A 1 67  ? -26.023 2.77    -8.783  1   28.245 ? 79  PHE   B CD1  1 ? 1 
ATOM   958  C CD2  . PHE   A 1 67  ? -26.607 0.509   -9.24   1   25.025 ? 79  PHE   B CD2  1 ? 1 
ATOM   959  C CE1  . PHE   A 1 67  ? -25.618 2.416   -7.514  1   24.833 ? 79  PHE   B CE1  1 ? 1 
ATOM   960  C CE2  . PHE   A 1 67  ? -26.197 0.138   -7.979  1   25.097 ? 79  PHE   B CE2  1 ? 1 
ATOM   961  C CZ   . PHE   A 1 67  ? -25.744 1.087   -7.105  1   24.349 ? 79  PHE   B CZ   1 ? 1 
ATOM   962  H H    . PHE   A 1 67  ? -28.56  4.371   -9.774  1   32.416 ? 79  PHE   B H    1 c 1 
ATOM   963  H HA   . PHE   A 1 67  ? -28.515 2.909   -12.133 1   32.704 ? 79  PHE   B HA   1 c 1 
ATOM   964  H HB2  . PHE   A 1 67  ? -26.913 1.379   -11.675 1   28.755 ? 79  PHE   B HB2  1 c 1 
ATOM   965  H HB3  . PHE   A 1 67  ? -26.235 2.803   -11.494 1   28.587 ? 79  PHE   B HB3  1 c 1 
ATOM   966  H HD1  . PHE   A 1 67  ? -25.924 3.663   -9.072  1   27.902 ? 79  PHE   B HD1  1 c 1 
ATOM   967  H HD2  . PHE   A 1 67  ? -26.902 -0.157  -9.841  1   26.255 ? 79  PHE   B HD2  1 c 1 
ATOM   968  H HE1  . PHE   A 1 67  ? -25.303 3.073   -6.914  1   24.964 ? 79  PHE   B HE1  1 c 1 
ATOM   969  H HE2  . PHE   A 1 67  ? -26.287 -0.759  -7.699  1   24.381 ? 79  PHE   B HE2  1 c 1 
ATOM   970  H HZ   . PHE   A 1 67  ? -25.489 0.838   -6.23   1   23.387 ? 79  PHE   B HZ   1 c 1 
ATOM   971  N N    . SER   A 1 68  ? -29.756 0.915   -11.143 1   34.656 ? 80  SER   B N    1 ? 1 
ATOM   972  C CA   . SER   A 1 68  ? -30.725 0.011   -10.549 1   36.434 ? 80  SER   B CA   1 ? 1 
ATOM   973  C C    . SER   A 1 68  ? -29.911 -1.082  -9.871  1   31.72  ? 80  SER   B C    1 ? 1 
ATOM   974  O O    . SER   A 1 68  ? -29.04  -1.695  -10.5   1   31.766 ? 80  SER   B O    1 ? 1 
ATOM   975  C CB   . SER   A 1 68  ? -31.705 -0.564  -11.577 1   40.99  ? 80  SER   B CB   1 ? 1 
ATOM   976  O OG   . SER   A 1 68  ? -32.383 0.478   -12.301 1   44.387 ? 80  SER   B OG   1 ? 1 
ATOM   977  H H    . SER   A 1 68  ? -29.41  0.721   -11.966 1   35.026 ? 80  SER   B H    1 c 1 
ATOM   978  H HA   . SER   A 1 68  ? -31.237 0.502   -9.861  1   36.25  ? 80  SER   B HA   1 c 1 
ATOM   979  H HB2  . SER   A 1 68  ? -31.217 -1.13   -12.205 1   40.609 ? 80  SER   B HB2  1 c 1 
ATOM   980  H HB3  . SER   A 1 68  ? -32.363 -1.119  -11.117 1   41.3   ? 80  SER   B HB3  1 c 1 
ATOM   981  H HG   . SER   A 1 68  ? -32.895 0.101   -12.831 0   30     ? 80  SER   B HG   1 c 1 
ATOM   982  N N    . LEU   A 1 69  ? -30.195 -1.341  -8.606  1   32.294 ? 81  LEU   B N    1 ? 1 
ATOM   983  C CA   . LEU   A 1 69  ? -29.36  -2.254  -7.844  1   30.826 ? 81  LEU   B CA   1 ? 1 
ATOM   984  C C    . LEU   A 1 69  ? -29.615 -3.694  -8.308  1   36.421 ? 81  LEU   B C    1 ? 1 
ATOM   985  O O    . LEU   A 1 69  ? -30.761 -4.091  -8.515  1   35.542 ? 81  LEU   B O    1 ? 1 
ATOM   986  C CB   . LEU   A 1 69  ? -29.694 -2.042  -6.377  1   35.595 ? 81  LEU   B CB   1 ? 1 
ATOM   987  C CG   . LEU   A 1 69  ? -28.789 -2.741  -5.348  1   42.996 ? 81  LEU   B CG   1 ? 1 
ATOM   988  C CD1  . LEU   A 1 69  ? -27.51  -2.123  -4.944  1   35.303 ? 81  LEU   B CD1  1 ? 1 
ATOM   989  C CD2  . LEU   A 1 69  ? -29.595 -2.766  -4.033  1   50.143 ? 81  LEU   B CD2  1 ? 1 
ATOM   990  H H    . LEU   A 1 69  ? -30.919 -0.952  -8.206  1   33.046 ? 81  LEU   B H    1 c 1 
ATOM   991  H HA   . LEU   A 1 69  ? -28.409 -2.022  -8.002  1   31.216 ? 81  LEU   B HA   1 c 1 
ATOM   992  H HB2  . LEU   A 1 69  ? -29.673 -1.074  -6.197  1   35.862 ? 81  LEU   B HB2  1 c 1 
ATOM   993  H HB3  . LEU   A 1 69  ? -30.62  -2.344  -6.23   1   37.419 ? 81  LEU   B HB3  1 c 1 
ATOM   994  H HG   . LEU   A 1 69  ? -28.623 -3.674  -5.642  1   40.76  ? 81  LEU   B HG   1 c 1 
ATOM   995  H HD11 . LEU   A 1 69  ? -26.974 -1.94   -5.735  1   36.519 ? 81  LEU   B HD11 1 c 1 
ATOM   996  H HD12 . LEU   A 1 69  ? -27.024 -2.729  -4.36   1   36.122 ? 81  LEU   B HD12 1 c 1 
ATOM   997  H HD13 . LEU   A 1 69  ? -27.683 -1.29   -4.474  1   37.167 ? 81  LEU   B HD13 1 c 1 
ATOM   998  H HD21 . LEU   A 1 69  ? -30.203 -3.524  -4.041  1   48.864 ? 81  LEU   B HD21 1 c 1 
ATOM   999  H HD22 . LEU   A 1 69  ? -30.106 -1.945  -3.953  1   48.274 ? 81  LEU   B HD22 1 c 1 
ATOM   1000 H HD23 . LEU   A 1 69  ? -28.991 -2.846  -3.276  1   46.409 ? 81  LEU   B HD23 1 c 1 
ATOM   1001 N N    . GLY   A 1 70  ? -28.553 -4.409  -8.64   1   38.688 ? 82  GLY   B N    1 ? 1 
ATOM   1002 C CA   . GLY   A 1 70  ? -28.662 -5.816  -9.026  1   39.409 ? 82  GLY   B CA   1 ? 1 
ATOM   1003 C C    . GLY   A 1 70  ? -29.052 -6.059  -10.473 1   48.092 ? 82  GLY   B C    1 ? 1 
ATOM   1004 O O    . GLY   A 1 70  ? -29.467 -7.17   -10.789 1   53.664 ? 82  GLY   B O    1 ? 1 
ATOM   1005 H H    . GLY   A 1 70  ? -27.729 -4.014  -8.641  1   36.425 ? 82  GLY   B H    1 c 1 
ATOM   1006 H HA2  . GLY   A 1 70  ? -27.798 -6.253  -8.853  1   39.366 ? 82  GLY   B HA2  1 c 1 
ATOM   1007 H HA3  . GLY   A 1 70  ? -29.328 -6.248  -8.441  1   41.358 ? 82  GLY   B HA3  1 c 1 
ATOM   1008 N N    . LYS   A 1 71  ? -28.926 -5.079  -11.358 1   49.957 ? 83  LYS   B N    1 ? 1 
ATOM   1009 C CA   . LYS   A 1 71  ? -29.398 -5.211  -12.734 1   49.78  ? 83  LYS   B CA   1 ? 1 
ATOM   1010 C C    . LYS   A 1 71  ? -28.17  -5.39   -13.658 1   49.576 ? 83  LYS   B C    1 ? 1 
ATOM   1011 O O    . LYS   A 1 71  ? -28.254 -5.227  -14.9   1   52.985 ? 83  LYS   B O    1 ? 1 
ATOM   1012 C CB   . LYS   A 1 71  ? -30.418 -4.101  -13.086 1   49.451 ? 83  LYS   B CB   1 ? 1 
ATOM   1013 H H    . LYS   A 1 71  ? -28.525 -4.298  -11.106 1   47.987 ? 83  LYS   B H    1 c 1 
ATOM   1014 H HA   . LYS   A 1 71  ? -29.914 -6.055  -12.788 1   50.969 ? 83  LYS   B HA   1 c 1 
ATOM   1015 H HB2  . LYS   A 1 71  ? -29.878 -3.41   -13.251 0   30     ? 83  LYS   B HB2  1 c 1 
ATOM   1016 H HB3  . LYS   A 1 71  ? -31.273 -4.576  -12.867 0   30     ? 83  LYS   B HB3  1 c 1 
ATOM   1017 N N    . GLY   A 1 72  ? -27.027 -5.712  -13.023 1   51.041 ? 84  GLY   B N    1 ? 1 
ATOM   1018 C CA   . GLY   A 1 72  ? -25.736 -5.84   -13.681 1   49.759 ? 84  GLY   B CA   1 ? 1 
ATOM   1019 C C    . GLY   A 1 72  ? -25.272 -4.528  -14.306 1   47.544 ? 84  GLY   B C    1 ? 1 
ATOM   1020 O O    . GLY   A 1 72  ? -24.659 -4.505  -15.386 1   47.093 ? 84  GLY   B O    1 ? 1 
ATOM   1021 H H    . GLY   A 1 72  ? -27.058 -5.87   -12.124 1   48.905 ? 84  GLY   B H    1 c 1 
ATOM   1022 H HA2  . GLY   A 1 72  ? -25.069 -6.141  -13.02  1   47.771 ? 84  GLY   B HA2  1 c 1 
ATOM   1023 H HA3  . GLY   A 1 72  ? -25.8   -6.531  -14.381 1   50.491 ? 84  GLY   B HA3  1 c 1 
ATOM   1024 N N    . GLN   A 1 73  ? -25.649 -3.4    -13.687 1   40.413 ? 85  GLN   B N    1 ? 1 
ATOM   1025 C CA   . GLN   A 1 73  ? -25.278 -2.113  -14.263 1   39.099 ? 85  GLN   B CA   1 ? 1 
ATOM   1026 C C    . GLN   A 1 73  ? -23.921 -1.685  -13.699 1   34.862 ? 85  GLN   B C    1 ? 1 
ATOM   1027 O O    . GLN   A 1 73  ? -23.216 -0.878  -14.311 1   34.696 ? 85  GLN   B O    1 ? 1 
ATOM   1028 C CB   . GLN   A 1 73  ? -26.356 -1.041  -14.034 1   40.095 ? 85  GLN   B CB   1 ? 1 
ATOM   1029 C CG   . GLN   A 1 73  ? -27.713 -1.467  -14.623 1   43.626 ? 85  GLN   B CG   1 ? 1 
ATOM   1030 C CD   . GLN   A 1 73  ? -28.792 -0.453  -14.353 1   45.757 ? 85  GLN   B CD   1 ? 1 
ATOM   1031 O OE1  . GLN   A 1 73  ? -28.559 0.576   -13.719 1   41.669 ? 85  GLN   B OE1  1 ? 1 
ATOM   1032 N NE2  . GLN   A 1 73  ? -29.978 -0.746  -14.851 1   52.895 ? 85  GLN   B NE2  1 ? 1 
ATOM   1033 H H    . GLN   A 1 73  ? -26.138 -3.427  -12.915 1   40.973 ? 85  GLN   B H    1 c 1 
ATOM   1034 H HA   . GLN   A 1 73  ? -25.18  -2.228  -15.242 1   40.429 ? 85  GLN   B HA   1 c 1 
ATOM   1035 H HB2  . GLN   A 1 73  ? -26.454 -0.884  -13.072 1   39.202 ? 85  GLN   B HB2  1 c 1 
ATOM   1036 H HB3  . GLN   A 1 73  ? -26.07  -0.202  -14.451 1   40.937 ? 85  GLN   B HB3  1 c 1 
ATOM   1037 H HG2  . GLN   A 1 73  ? -27.624 -1.589  -15.592 1   44.908 ? 85  GLN   B HG2  1 c 1 
ATOM   1038 H HG3  . GLN   A 1 73  ? -27.982 -2.327  -14.235 1   43.18  ? 85  GLN   B HG3  1 c 1 
ATOM   1039 H HE21 . GLN   A 1 73  ? -30.668 -0.213  -14.691 1   52.219 ? 85  GLN   B HE21 1 c 1 
ATOM   1040 H HE22 . GLN   A 1 73  ? -30.086 -1.475  -15.346 1   52.045 ? 85  GLN   B HE22 1 c 1 
ATOM   1041 N N    . VAL   A 1 74  ? -23.588 -2.237  -12.532 1   28.892 ? 86  VAL   B N    1 ? 1 
ATOM   1042 C CA   . VAL   A 1 74  ? -22.339 -1.906  -11.866 1   26.947 ? 86  VAL   B CA   1 ? 1 
ATOM   1043 C C    . VAL   A 1 74  ? -21.673 -3.228  -11.496 1   26.482 ? 86  VAL   B C    1 ? 1 
ATOM   1044 O O    . VAL   A 1 74  ? -22.336 -4.259  -11.493 1   25.582 ? 86  VAL   B O    1 ? 1 
ATOM   1045 C CB   . VAL   A 1 74  ? -22.59  -1.063  -10.605 1   26.098 ? 86  VAL   B CB   1 ? 1 
ATOM   1046 C CG1  . VAL   A 1 74  ? -23.003 0.348   -10.929 1   26.889 ? 86  VAL   B CG1  1 ? 1 
ATOM   1047 C CG2  . VAL   A 1 74  ? -23.595 -1.791  -9.681  1   26.616 ? 86  VAL   B CG2  1 ? 1 
ATOM   1048 H H    . VAL   A 1 74  ? -24.15  -2.84   -12.138 1   29.769 ? 86  VAL   B H    1 c 1 
ATOM   1049 H HA   . VAL   A 1 74  ? -21.764 -1.413  -12.48  1   27.645 ? 86  VAL   B HA   1 c 1 
ATOM   1050 H HB   . VAL   A 1 74  ? -21.733 -1.011  -10.121 1   25.063 ? 86  VAL   B HB   1 c 1 
ATOM   1051 H HG11 . VAL   A 1 74  ? -23.823 0.335   -11.451 1   28.241 ? 86  VAL   B HG11 1 c 1 
ATOM   1052 H HG12 . VAL   A 1 74  ? -22.3   0.783   -11.44  1   27.287 ? 86  VAL   B HG12 1 c 1 
ATOM   1053 H HG13 . VAL   A 1 74  ? -23.154 0.839   -10.104 1   26.496 ? 86  VAL   B HG13 1 c 1 
ATOM   1054 H HG21 . VAL   A 1 74  ? -23.649 -1.323  -8.831  1   25.791 ? 86  VAL   B HG21 1 c 1 
ATOM   1055 H HG22 . VAL   A 1 74  ? -23.298 -2.703  -9.527  1   25.804 ? 86  VAL   B HG22 1 c 1 
ATOM   1056 H HG23 . VAL   A 1 74  ? -24.472 -1.802  -10.097 1   27.558 ? 86  VAL   B HG23 1 c 1 
ATOM   1057 N N    . ILE   A 1 75  ? -20.407 -3.173  -11.066 1   21.51  ? 87  ILE   B N    1 ? 1 
ATOM   1058 C CA   . ILE   A 1 75  ? -19.69  -4.329  -10.554 1   20.422 ? 87  ILE   B CA   1 ? 1 
ATOM   1059 C C    . ILE   A 1 75  ? -20.454 -4.959  -9.375  1   20.946 ? 87  ILE   B C    1 ? 1 
ATOM   1060 O O    . ILE   A 1 75  ? -21.143 -4.24   -8.651  1   18.262 ? 87  ILE   B O    1 ? 1 
ATOM   1061 C CB   . ILE   A 1 75  ? -18.25  -3.998  -10.197 1   18.764 ? 87  ILE   B CB   1 ? 1 
ATOM   1062 C CG1  . ILE   A 1 75  ? -18.113 -2.856  -9.205  1   19.423 ? 87  ILE   B CG1  1 ? 1 
ATOM   1063 C CG2  . ILE   A 1 75  ? -17.405 -3.763  -11.462 1   19.362 ? 87  ILE   B CG2  1 ? 1 
ATOM   1064 C CD1  . ILE   A 1 75  ? -16.699 -2.661  -8.712  1   18.405 ? 87  ILE   B CD1  1 ? 1 
ATOM   1065 H H    . ILE   A 1 75  ? -19.969 -2.372  -11.109 1   22.291 ? 87  ILE   B H    1 c 1 
ATOM   1066 H HA   . ILE   A 1 75  ? -19.665 -4.991  -11.271 1   21.173 ? 87  ILE   B HA   1 c 1 
ATOM   1067 H HB   . ILE   A 1 75  ? -17.885 -4.791  -9.759  1   18.463 ? 87  ILE   B HB   1 c 1 
ATOM   1068 H HG12 . ILE   A 1 75  ? -18.415 -2.027  -9.629  1   19.716 ? 87  ILE   B HG12 1 c 1 
ATOM   1069 H HG13 . ILE   A 1 75  ? -18.694 -3.03   -8.437  1   18.56  ? 87  ILE   B HG13 1 c 1 
ATOM   1070 H HG21 . ILE   A 1 75  ? -16.461 -3.809  -11.237 1   19.059 ? 87  ILE   B HG21 1 c 1 
ATOM   1071 H HG22 . ILE   A 1 75  ? -17.606 -2.885  -11.83  1   20.171 ? 87  ILE   B HG22 1 c 1 
ATOM   1072 H HG23 . ILE   A 1 75  ? -17.611 -4.444  -12.124 1   20.224 ? 87  ILE   B HG23 1 c 1 
ATOM   1073 H HD11 . ILE   A 1 75  ? -16.304 -3.527  -8.498  1   18.059 ? 87  ILE   B HD11 1 c 1 
ATOM   1074 H HD12 . ILE   A 1 75  ? -16.707 -2.102  -7.911  1   18.048 ? 87  ILE   B HD12 1 c 1 
ATOM   1075 H HD13 . ILE   A 1 75  ? -16.167 -2.225  -9.404  1   19.134 ? 87  ILE   B HD13 1 c 1 
ATOM   1076 N N    . LYS   A 1 76  ? -20.23  -6.268  -9.203  1   18.282 ? 88  LYS   B N    1 ? 1 
ATOM   1077 C CA   . LYS   A 1 76  ? -20.818 -7.043  -8.1    1   18.997 ? 88  LYS   B CA   1 ? 1 
ATOM   1078 C C    . LYS   A 1 76  ? -20.618 -6.362  -6.757  1   18.291 ? 88  LYS   B C    1 ? 1 
ATOM   1079 O O    . LYS   A 1 76  ? -21.504 -6.437  -5.888  1   18.741 ? 88  LYS   B O    1 ? 1 
ATOM   1080 C CB   . LYS   A 1 76  ? -20.294 -8.499  -8.088  1   21.801 ? 88  LYS   B CB   1 ? 1 
ATOM   1081 C CG   . LYS   A 1 76  ? -20.588 -9.326  -9.292  1   28.971 ? 88  LYS   B CG   1 ? 1 
ATOM   1082 C CD   . LYS   A 1 76  ? -19.948 -10.738 -9.236  1   34.702 ? 88  LYS   B CD   1 ? 1 
ATOM   1083 H H    . LYS   A 1 76  ? -19.68  -6.7    -9.792  1   19.427 ? 88  LYS   B H    1 c 1 
ATOM   1084 H HA   . LYS   A 1 76  ? -21.794 -7.093  -8.263  1   20.148 ? 88  LYS   B HA   1 c 1 
ATOM   1085 H HB2  . LYS   A 1 76  ? -19.321 -8.472  -7.967  1   21.66  ? 88  LYS   B HB2  1 c 1 
ATOM   1086 H HB3  . LYS   A 1 76  ? -20.673 -8.954  -7.306  1   22.273 ? 88  LYS   B HB3  1 c 1 
ATOM   1087 H HG2  . LYS   A 1 76  ? -21.561 -9.419  -9.379  1   29.274 ? 88  LYS   B HG2  1 c 1 
ATOM   1088 H HG3  . LYS   A 1 76  ? -20.258 -8.856  -10.087 1   28.598 ? 88  LYS   B HG3  1 c 1 
ATOM   1089 H HD2  . LYS   A 1 76  ? -18.881 -10.526 -9.295  0   30     ? 88  LYS   B HD2  1 c 1 
ATOM   1090 H HD3  . LYS   A 1 76  ? -20.515 -11.408 -9.289  0   30     ? 88  LYS   B HD3  1 c 1 
ATOM   1091 N N    . ALA   A 1 77  ? -19.411 -5.856  -6.488  1   17.613 ? 89  ALA   B N    1 ? 1 
ATOM   1092 C CA   . ALA   A 1 77  ? -19.098 -5.305  -5.171  1   17.283 ? 89  ALA   B CA   1 ? 1 
ATOM   1093 C C    . ALA   A 1 77  ? -19.996 -4.131  -4.837  1   17.023 ? 89  ALA   B C    1 ? 1 
ATOM   1094 O O    . ALA   A 1 77  ? -20.264 -3.895  -3.672  1   17.148 ? 89  ALA   B O    1 ? 1 
ATOM   1095 C CB   . ALA   A 1 77  ? -17.661 -4.88   -5.049  1   17.876 ? 89  ALA   B CB   1 ? 1 
ATOM   1096 H H    . ALA   A 1 77  ? -18.765 -5.854  -7.134  1   17.703 ? 89  ALA   B H    1 c 1 
ATOM   1097 H HA   . ALA   A 1 77  ? -19.272 -6.019  -4.497  1   17.232 ? 89  ALA   B HA   1 c 1 
ATOM   1098 H HB1  . ALA   A 1 77  ? -17.083 -5.659  -5.102  1   17.352 ? 89  ALA   B HB1  1 c 1 
ATOM   1099 H HB2  . ALA   A 1 77  ? -17.44  -4.266  -5.769  1   17.754 ? 89  ALA   B HB2  1 c 1 
ATOM   1100 H HB3  . ALA   A 1 77  ? -17.523 -4.436  -4.195  1   17.193 ? 89  ALA   B HB3  1 c 1 
ATOM   1101 N N    . TRP   A 1 78  ? -20.477 -3.395  -5.836  1   17.201 ? 90  TRP   B N    1 ? 1 
ATOM   1102 C CA   . TRP   A 1 78  ? -21.368 -2.281  -5.606  1   17.798 ? 90  TRP   B CA   1 ? 1 
ATOM   1103 C C    . TRP   A 1 78  ? -22.748 -2.796  -5.285  1   17.568 ? 90  TRP   B C    1 ? 1 
ATOM   1104 O O    . TRP   A 1 78  ? -23.418 -2.25   -4.427  1   21.461 ? 90  TRP   B O    1 ? 1 
ATOM   1105 C CB   . TRP   A 1 78  ? -21.43  -1.313  -6.793  1   18.77  ? 90  TRP   B CB   1 ? 1 
ATOM   1106 C CG   . TRP   A 1 78  ? -20.393 -0.213  -6.712  1   19.048 ? 90  TRP   B CG   1 ? 1 
ATOM   1107 C CD1  . TRP   A 1 78  ? -19.044 -0.231  -6.427  1   19.919 ? 90  TRP   B CD1  1 ? 1 
ATOM   1108 C CD2  . TRP   A 1 78  ? -20.738 1.177   -6.864  1   19.041 ? 90  TRP   B CD2  1 ? 1 
ATOM   1109 N NE1  . TRP   A 1 78  ? -18.519 1.027   -6.461  1   20.989 ? 90  TRP   B NE1  1 ? 1 
ATOM   1110 C CE2  . TRP   A 1 78  ? -19.534 1.933   -6.709  1   20.05  ? 90  TRP   B CE2  1 ? 1 
ATOM   1111 C CE3  . TRP   A 1 78  ? -21.925 1.823   -7.2    1   22.269 ? 90  TRP   B CE3  1 ? 1 
ATOM   1112 C CZ2  . TRP   A 1 78  ? -19.525 3.316   -6.853  1   22.842 ? 90  TRP   B CZ2  1 ? 1 
ATOM   1113 C CZ3  . TRP   A 1 78  ? -21.918 3.2     -7.32   1   26.562 ? 90  TRP   B CZ3  1 ? 1 
ATOM   1114 C CH2  . TRP   A 1 78  ? -20.71  3.941   -7.124  1   22.073 ? 90  TRP   B CH2  1 ? 1 
ATOM   1115 H H    . TRP   A 1 78  ? -20.23  -3.587  -6.694  1   17.624 ? 90  TRP   B H    1 c 1 
ATOM   1116 H HA   . TRP   A 1 78  ? -21.033 -1.776  -4.816  1   17.223 ? 90  TRP   B HA   1 c 1 
ATOM   1117 H HB2  . TRP   A 1 78  ? -21.294 -1.82   -7.621  1   19.173 ? 90  TRP   B HB2  1 c 1 
ATOM   1118 H HB3  . TRP   A 1 78  ? -22.323 -0.91   -6.823  1   19.613 ? 90  TRP   B HB3  1 c 1 
ATOM   1119 H HD1  . TRP   A 1 78  ? -18.54  -1.012  -6.261  1   19.068 ? 90  TRP   B HD1  1 c 1 
ATOM   1120 H HE1  . TRP   A 1 78  ? -17.691 1.229   -6.301  1   20.102 ? 90  TRP   B HE1  1 c 1 
ATOM   1121 H HE3  . TRP   A 1 78  ? -22.724 1.335   -7.302  1   22.793 ? 90  TRP   B HE3  1 c 1 
ATOM   1122 H HZ2  . TRP   A 1 78  ? -18.732 3.81    -6.732  1   22.046 ? 90  TRP   B HZ2  1 c 1 
ATOM   1123 H HZ3  . TRP   A 1 78  ? -22.721 3.656   -7.508  1   25.593 ? 90  TRP   B HZ3  1 c 1 
ATOM   1124 H HH2  . TRP   A 1 78  ? -20.724 4.876   -7.219  1   24.22  ? 90  TRP   B HH2  1 c 1 
ATOM   1125 N N    . ASP   A 1 79  ? -23.199 -3.839  -5.964  1   16.525 ? 91  ASP   B N    1 ? 1 
ATOM   1126 C CA   . ASP   A 1 79  ? -24.506 -4.409  -5.675  1   18.986 ? 91  ASP   B CA   1 ? 1 
ATOM   1127 C C    . ASP   A 1 79  ? -24.502 -4.918  -4.232  1   20.095 ? 91  ASP   B C    1 ? 1 
ATOM   1128 O O    . ASP   A 1 79  ? -25.515 -4.791  -3.545  1   22.799 ? 91  ASP   B O    1 ? 1 
ATOM   1129 C CB   . ASP   A 1 79  ? -24.907 -5.488  -6.65   1   21.432 ? 91  ASP   B CB   1 ? 1 
ATOM   1130 C CG   . ASP   A 1 79  ? -25.408 -4.991  -8      1   24.125 ? 91  ASP   B CG   1 ? 1 
ATOM   1131 O OD1  . ASP   A 1 79  ? -25.926 -3.88   -8.038  1   25.135 ? 91  ASP   B OD1  1 ? 1 
ATOM   1132 O OD2  . ASP   A 1 79  ? -25.387 -5.807  -8.911  1   25.164 ? 91  ASP   B OD2  1 ? 1 
ATOM   1133 H H    . ASP   A 1 79  ? -22.692 -4.206  -6.63   1   17.159 ? 91  ASP   B H    1 c 1 
ATOM   1134 H HA   . ASP   A 1 79  ? -25.172 -3.688  -5.741  1   19.954 ? 91  ASP   B HA   1 c 1 
ATOM   1135 H HB2  . ASP   A 1 79  ? -24.136 -6.072  -6.807  1   20.778 ? 91  ASP   B HB2  1 c 1 
ATOM   1136 H HB3  . ASP   A 1 79  ? -25.617 -6.03   -6.247  1   22.083 ? 91  ASP   B HB3  1 c 1 
ATOM   1137 N N    . ILE   A 1 80  ? -23.385 -5.532  -3.816  1   17.2   ? 92  ILE   B N    1 ? 1 
ATOM   1138 C CA   . ILE   A 1 80  ? -23.259 -6.084  -2.458  1   17.813 ? 92  ILE   B CA   1 ? 1 
ATOM   1139 C C    . ILE   A 1 80  ? -23.15  -4.901  -1.447  1   18.713 ? 92  ILE   B C    1 ? 1 
ATOM   1140 O O    . ILE   A 1 80  ? -23.89  -4.846  -0.479  1   19.058 ? 92  ILE   B O    1 ? 1 
ATOM   1141 C CB   . ILE   A 1 80  ? -22.047 -7.037  -2.397  1   18.237 ? 92  ILE   B CB   1 ? 1 
ATOM   1142 C CG1  . ILE   A 1 80  ? -22.294 -8.294  -3.205  1   20.471 ? 92  ILE   B CG1  1 ? 1 
ATOM   1143 C CG2  . ILE   A 1 80  ? -21.659 -7.327  -0.927  1   21.244 ? 92  ILE   B CG2  1 ? 1 
ATOM   1144 C CD1  . ILE   A 1 80  ? -21.017 -9.034  -3.59   1   22.302 ? 92  ILE   B CD1  1 ? 1 
ATOM   1145 H H    . ILE   A 1 80  ? -22.681 -5.62   -4.392  1   17.325 ? 92  ILE   B H    1 c 1 
ATOM   1146 H HA   . ILE   A 1 80  ? -24.066 -6.597  -2.256  1   19.001 ? 92  ILE   B HA   1 c 1 
ATOM   1147 H HB   . ILE   A 1 80  ? -21.293 -6.572  -2.81   1   18.122 ? 92  ILE   B HB   1 c 1 
ATOM   1148 H HG12 . ILE   A 1 80  ? -22.863 -8.897  -2.684  1   21.357 ? 92  ILE   B HG12 1 c 1 
ATOM   1149 H HG13 . ILE   A 1 80  ? -22.779 -8.056  -4.022  1   21.037 ? 92  ILE   B HG13 1 c 1 
ATOM   1150 H HG21 . ILE   A 1 80  ? -21.141 -8.148  -0.883  1   20.181 ? 92  ILE   B HG21 1 c 1 
ATOM   1151 H HG22 . ILE   A 1 80  ? -22.463 -7.426  -0.39   1   21.013 ? 92  ILE   B HG22 1 c 1 
ATOM   1152 H HG23 . ILE   A 1 80  ? -21.126 -6.592  -0.579  1   19.681 ? 92  ILE   B HG23 1 c 1 
ATOM   1153 H HD11 . ILE   A 1 80  ? -20.417 -8.426  -4.061  1   20.933 ? 92  ILE   B HD11 1 c 1 
ATOM   1154 H HD12 . ILE   A 1 80  ? -21.239 -9.785  -4.173  1   22.169 ? 92  ILE   B HD12 1 c 1 
ATOM   1155 H HD13 . ILE   A 1 80  ? -20.575 -9.368  -2.787  1   21.285 ? 92  ILE   B HD13 1 c 1 
ATOM   1156 N N    . GLY   A 1 81  ? -22.231 -3.974  -1.71   1   17.887 ? 93  GLY   B N    1 ? 1 
ATOM   1157 C CA   . GLY   A 1 81  ? -21.905 -2.893  -0.764  1   18.335 ? 93  GLY   B CA   1 ? 1 
ATOM   1158 C C    . GLY   A 1 81  ? -22.966 -1.838  -0.585  1   18.443 ? 93  GLY   B C    1 ? 1 
ATOM   1159 O O    . GLY   A 1 81  ? -23.311 -1.488  0.531   1   19.467 ? 93  GLY   B O    1 ? 1 
ATOM   1160 H H    . GLY   A 1 81  ? -21.78  -4.007  -2.505  1   17.675 ? 93  GLY   B H    1 c 1 
ATOM   1161 H HA2  . GLY   A 1 81  ? -21.716 -3.298  0.113   1   18.033 ? 93  GLY   B HA2  1 c 1 
ATOM   1162 H HA3  . GLY   A 1 81  ? -21.075 -2.457  -1.068  1   17.463 ? 93  GLY   B HA3  1 c 1 
ATOM   1163 N N    . VAL   A 1 82  ? -23.534 -1.339  -1.682  1   19.385 ? 94  VAL   B N    1 ? 1 
ATOM   1164 C CA   . VAL   A 1 82  ? -24.522 -0.301  -1.602  1   19.825 ? 94  VAL   B CA   1 ? 1 
ATOM   1165 C C    . VAL   A 1 82  ? -25.796 -0.862  -0.947  1   20.784 ? 94  VAL   B C    1 ? 1 
ATOM   1166 O O    . VAL   A 1 82  ? -26.42  -0.104  -0.246  1   20.766 ? 94  VAL   B O    1 ? 1 
ATOM   1167 C CB   . VAL   A 1 82  ? -24.806 0.335   -2.977  1   21.853 ? 94  VAL   B CB   1 ? 1 
ATOM   1168 C CG1  . VAL   A 1 82  ? -25.893 1.401   -2.864  1   26.403 ? 94  VAL   B CG1  1 ? 1 
ATOM   1169 C CG2  . VAL   A 1 82  ? -23.52  0.902   -3.533  1   21.514 ? 94  VAL   B CG2  1 ? 1 
ATOM   1170 H H    . VAL   A 1 82  ? -23.301 -1.67   -2.502  1   18.931 ? 94  VAL   B H    1 c 1 
ATOM   1171 H HA   . VAL   A 1 82  ? -24.17  0.399   -1.019  1   20.077 ? 94  VAL   B HA   1 c 1 
ATOM   1172 H HB   . VAL   A 1 82  ? -25.124 -0.38   -3.577  1   22.39  ? 94  VAL   B HB   1 c 1 
ATOM   1173 H HG11 . VAL   A 1 82  ? -25.813 1.859   -2.01   1   25.359 ? 94  VAL   B HG11 1 c 1 
ATOM   1174 H HG12 . VAL   A 1 82  ? -26.768 0.982   -2.926  1   26.188 ? 94  VAL   B HG12 1 c 1 
ATOM   1175 H HG13 . VAL   A 1 82  ? -25.793 2.045   -3.585  1   25.722 ? 94  VAL   B HG13 1 c 1 
ATOM   1176 H HG21 . VAL   A 1 82  ? -23.71  1.407   -4.342  1   21.992 ? 94  VAL   B HG21 1 c 1 
ATOM   1177 H HG22 . VAL   A 1 82  ? -22.906 0.18    -3.742  1   20.654 ? 94  VAL   B HG22 1 c 1 
ATOM   1178 H HG23 . VAL   A 1 82  ? -23.113 1.491   -2.875  1   21.179 ? 94  VAL   B HG23 1 c 1 
ATOM   1179 N N    . ALA   A 1 83  ? -26.099 -2.145  -1.111  1   19.979 ? 95  ALA   B N    1 ? 1 
ATOM   1180 C CA   . ALA   A 1 83  ? -27.285 -2.746  -0.473  1   20.07  ? 95  ALA   B CA   1 ? 1 
ATOM   1181 C C    . ALA   A 1 83  ? -27.125 -2.726  1.061   1   21.08  ? 95  ALA   B C    1 ? 1 
ATOM   1182 O O    . ALA   A 1 83  ? -28.116 -2.869  1.737   1   24.512 ? 95  ALA   B O    1 ? 1 
ATOM   1183 C CB   . ALA   A 1 83  ? -27.463 -4.191  -0.926  1   21.501 ? 95  ALA   B CB   1 ? 1 
ATOM   1184 H H    . ALA   A 1 83  ? -25.568 -2.67   -1.637  1   19.259 ? 95  ALA   B H    1 c 1 
ATOM   1185 H HA   . ALA   A 1 83  ? -28.09  -2.212  -0.72   1   21.689 ? 95  ALA   B HA   1 c 1 
ATOM   1186 H HB1  . ALA   A 1 83  ? -27.743 -4.211  -1.856  1   21.579 ? 95  ALA   B HB1  1 c 1 
ATOM   1187 H HB2  . ALA   A 1 83  ? -26.621 -4.668  -0.834  1   20.204 ? 95  ALA   B HB2  1 c 1 
ATOM   1188 H HB3  . ALA   A 1 83  ? -28.138 -4.624  -0.378  1   22.261 ? 95  ALA   B HB3  1 c 1 
ATOM   1189 N N    . THR   A 1 84  ? -25.906 -2.587  1.6     1   22.753 ? 96  THR   B N    1 ? 1 
ATOM   1190 C CA   . THR   A 1 84  ? -25.72  -2.481  3.064   1   23.946 ? 96  THR   B CA   1 ? 1 
ATOM   1191 C C    . THR   A 1 84  ? -25.851 -1.054  3.609   1   25.084 ? 96  THR   B C    1 ? 1 
ATOM   1192 O O    . THR   A 1 84  ? -25.811 -0.873  4.84    1   24.624 ? 96  THR   B O    1 ? 1 
ATOM   1193 C CB   . THR   A 1 84  ? -24.365 -2.992  3.481   1   21.014 ? 96  THR   B CB   1 ? 1 
ATOM   1194 O OG1  . THR   A 1 84  ? -23.326 -2.066  3.075   1   19.002 ? 96  THR   B OG1  1 ? 1 
ATOM   1195 C CG2  . THR   A 1 84  ? -24.141 -4.406  2.944   1   22.83  ? 96  THR   B CG2  1 ? 1 
ATOM   1196 H H    . THR   A 1 84  ? -25.169 -2.573  1.06    1   21.122 ? 96  THR   B H    1 c 1 
ATOM   1197 H HA   . THR   A 1 84  ? -26.401 -3.04   3.498   1   24.591 ? 96  THR   B HA   1 c 1 
ATOM   1198 H HB   . THR   A 1 84  ? -24.355 -3.055  4.466   1   22.202 ? 96  THR   B HB   1 c 1 
ATOM   1199 H HG1  . THR   A 1 84  ? -23.341 -1.982  2.228   0   30     ? 96  THR   B HG1  1 c 1 
ATOM   1200 H HG21 . THR   A 1 84  ? -23.431 -4.836  3.45    1   21.837 ? 96  THR   B HG21 1 c 1 
ATOM   1201 H HG22 . THR   A 1 84  ? -23.887 -4.361  2.008   1   21.391 ? 96  THR   B HG22 1 c 1 
ATOM   1202 H HG23 . THR   A 1 84  ? -24.96  -4.922  3.033   1   23.123 ? 96  THR   B HG23 1 c 1 
ATOM   1203 N N    . MET   A 1 85  ? -25.977 -0.027  2.763   1   23.79  ? 97  MET   B N    1 ? 1 
ATOM   1204 C CA   . MET   A 1 85  ? -25.863 1.357   3.215   1   22.975 ? 97  MET   B CA   1 ? 1 
ATOM   1205 C C    . MET   A 1 85  ? -27.215 1.985   3.512   1   24.659 ? 97  MET   B C    1 ? 1 
ATOM   1206 O O    . MET   A 1 85  ? -28.189 1.628   2.896   1   25.411 ? 97  MET   B O    1 ? 1 
ATOM   1207 C CB   . MET   A 1 85  ? -25.218 2.183   2.092   1   21.03  ? 97  MET   B CB   1 ? 1 
ATOM   1208 C CG   . MET   A 1 85  ? -23.817 1.729   1.821   1   20.772 ? 97  MET   B CG   1 ? 1 
ATOM   1209 S SD   . MET   A 1 85  ? -22.99  2.695   0.534   1   22.307 ? 97  MET   B SD   1 ? 1 
ATOM   1210 C CE   . MET   A 1 85  ? -22.852 4.322   1.298   1   23.237 ? 97  MET   B CE   1 ? 1 
ATOM   1211 H H    . MET   A 1 85  ? -26.141 -0.188  1.879   1   23.428 ? 97  MET   B H    1 c 1 
ATOM   1212 H HA   . MET   A 1 85  ? -25.295 1.389   4.025   1   22.908 ? 97  MET   B HA   1 c 1 
ATOM   1213 H HB2  . MET   A 1 85  ? -25.756 2.091   1.276   1   21.782 ? 97  MET   B HB2  1 c 1 
ATOM   1214 H HB3  . MET   A 1 85  ? -25.212 3.128   2.352   1   22.156 ? 97  MET   B HB3  1 c 1 
ATOM   1215 H HG2  . MET   A 1 85  ? -23.293 1.792   2.642   1   20.755 ? 97  MET   B HG2  1 c 1 
ATOM   1216 H HG3  . MET   A 1 85  ? -23.829 0.793   1.546   1   20.355 ? 97  MET   B HG3  1 c 1 
ATOM   1217 H HE1  . MET   A 1 85  ? -22.393 4.928   0.688   1   23.268 ? 97  MET   B HE1  1 c 1 
ATOM   1218 H HE2  . MET   A 1 85  ? -23.743 4.669   1.488   1   24.197 ? 97  MET   B HE2  1 c 1 
ATOM   1219 H HE3  . MET   A 1 85  ? -22.346 4.25    2.128   1   23.169 ? 97  MET   B HE3  1 c 1 
ATOM   1220 N N    . LYS   A 1 86  ? -27.297 2.92    4.483   1   25.766 ? 98  LYS   B N    1 ? 1 
ATOM   1221 C CA   . LYS   A 1 86  ? -28.448 3.765   4.727   1   28.632 ? 98  LYS   B CA   1 ? 1 
ATOM   1222 C C    . LYS   A 1 86  ? -28.394 5.059   3.924   1   27.728 ? 98  LYS   B C    1 ? 1 
ATOM   1223 O O    . LYS   A 1 86  ? -27.319 5.517   3.603   1   26.37  ? 98  LYS   B O    1 ? 1 
ATOM   1224 C CB   . LYS   A 1 86  ? -28.474 4.142   6.216   1   31.079 ? 98  LYS   B CB   1 ? 1 
ATOM   1225 C CG   . LYS   A 1 86  ? -28.7   2.831   6.965   1   36.928 ? 98  LYS   B CG   1 ? 1 
ATOM   1226 C CD   . LYS   A 1 86  ? -28.72  2.836   8.486   1   48.291 ? 98  LYS   B CD   1 ? 1 
ATOM   1227 C CE   . LYS   A 1 86  ? -28.682 1.371   8.877   1   56.033 ? 98  LYS   B CE   1 ? 1 
ATOM   1228 N NZ   . LYS   A 1 86  ? -29.347 1.308   10.168  1   59.764 ? 98  LYS   B NZ   1 ? 1 
ATOM   1229 H H    . LYS   A 1 86  ? -26.568 3.03    5.023   1   25.677 ? 98  LYS   B H    1 c 1 
ATOM   1230 H HA   . LYS   A 1 86  ? -29.271 3.266   4.49    1   29.174 ? 98  LYS   B HA   1 c 1 
ATOM   1231 H HB2  . LYS   A 1 86  ? -27.623 4.545   6.491   1   31.312 ? 98  LYS   B HB2  1 c 1 
ATOM   1232 H HB3  . LYS   A 1 86  ? -29.206 4.768   6.406   1   33.341 ? 98  LYS   B HB3  1 c 1 
ATOM   1233 H HG2  . LYS   A 1 86  ? -29.554 2.46    6.655   1   37.977 ? 98  LYS   B HG2  1 c 1 
ATOM   1234 H HG3  . LYS   A 1 86  ? -28.004 2.202   6.678   1   35.849 ? 98  LYS   B HG3  1 c 1 
ATOM   1235 H HD2  . LYS   A 1 86  ? -27.929 3.298   8.841   1   46.8   ? 98  LYS   B HD2  1 c 1 
ATOM   1236 H HD3  . LYS   A 1 86  ? -29.538 3.256   8.822   1   49.023 ? 98  LYS   B HD3  1 c 1 
ATOM   1237 H HE2  . LYS   A 1 86  ? -29.159 0.817   8.234   1   53.786 ? 98  LYS   B HE2  1 c 1 
ATOM   1238 H HE3  . LYS   A 1 86  ? -27.764 1.057   8.961   1   53.153 ? 98  LYS   B HE3  1 c 1 
ATOM   1239 H HZ1  . LYS   A 1 86  ? -30.234 1.464   10.067  1   60.417 ? 98  LYS   B HZ1  1 c 1 
ATOM   1240 H HZ2  . LYS   A 1 86  ? -28.996 1.925   10.731  1   59.664 ? 98  LYS   B HZ2  1 c 1 
ATOM   1241 H HZ3  . LYS   A 1 86  ? -29.233 0.484   10.527  1   59.526 ? 98  LYS   B HZ3  1 c 1 
ATOM   1242 N N    . LYS   A 1 87  ? -29.576 5.663   3.712   1   30.029 ? 99  LYS   B N    1 ? 1 
ATOM   1243 C CA   . LYS   A 1 87  ? -29.643 6.984   3.136   1   31.579 ? 99  LYS   B CA   1 ? 1 
ATOM   1244 C C    . LYS   A 1 87  ? -28.781 7.934   3.973   1   31.434 ? 99  LYS   B C    1 ? 1 
ATOM   1245 O O    . LYS   A 1 87  ? -28.995 8.098   5.178   1   32.292 ? 99  LYS   B O    1 ? 1 
ATOM   1246 C CB   . LYS   A 1 87  ? -31.11  7.437   3.066   1   36.65  ? 99  LYS   B CB   1 ? 1 
ATOM   1247 C CG   . LYS   A 1 87  ? -31.246 8.814   2.466   1   40.243 ? 99  LYS   B CG   1 ? 1 
ATOM   1248 C CD   . LYS   A 1 87  ? -32.689 9.136   2.082   1   46.139 ? 99  LYS   B CD   1 ? 1 
ATOM   1249 C CE   . LYS   A 1 87  ? -32.806 10.507  1.516   1   47.742 ? 99  LYS   B CE   1 ? 1 
ATOM   1250 N NZ   . LYS   A 1 87  ? -34.241 10.797  1.388   1   53.12  ? 99  LYS   B NZ   1 ? 1 
ATOM   1251 H H    . LYS   A 1 87  ? -30.352 5.234   3.935   1   31.039 ? 99  LYS   B H    1 c 1 
ATOM   1252 H HA   . LYS   A 1 87  ? -29.277 6.94    2.216   1   30.899 ? 99  LYS   B HA   1 c 1 
ATOM   1253 H HB2  . LYS   A 1 87  ? -31.622 6.801   2.523   1   36.549 ? 99  LYS   B HB2  1 c 1 
ATOM   1254 H HB3  . LYS   A 1 87  ? -31.492 7.444   3.97    1   37.552 ? 99  LYS   B HB3  1 c 1 
ATOM   1255 H HG2  . LYS   A 1 87  ? -30.93  9.478   3.117   1   40.797 ? 99  LYS   B HG2  1 c 1 
ATOM   1256 H HG3  . LYS   A 1 87  ? -30.677 8.87    1.668   1   39.337 ? 99  LYS   B HG3  1 c 1 
ATOM   1257 H HD2  . LYS   A 1 87  ? -33.001 8.484   1.417   1   45.064 ? 99  LYS   B HD2  1 c 1 
ATOM   1258 H HD3  . LYS   A 1 87  ? -33.26  9.064   2.878   1   46.537 ? 99  LYS   B HD3  1 c 1 
ATOM   1259 H HE2  . LYS   A 1 87  ? -32.39  11.159  2.107   1   48.541 ? 99  LYS   B HE2  1 c 1 
ATOM   1260 H HE3  . LYS   A 1 87  ? -32.387 10.553  0.64    1   47.466 ? 99  LYS   B HE3  1 c 1 
ATOM   1261 H HZ1  . LYS   A 1 87  ? -34.621 10.841  2.209   1   53.153 ? 99  LYS   B HZ1  1 c 1 
ATOM   1262 H HZ2  . LYS   A 1 87  ? -34.647 10.146  0.905   1   52.133 ? 99  LYS   B HZ2  1 c 1 
ATOM   1263 H HZ3  . LYS   A 1 87  ? -34.354 11.591  0.967   1   53.227 ? 99  LYS   B HZ3  1 c 1 
ATOM   1264 N N    . GLY   A 1 88  ? -27.866 8.627   3.288   1   29.991 ? 100 GLY   B N    1 ? 1 
ATOM   1265 C CA   . GLY   A 1 88  ? -27.034 9.648   3.932   1   31.346 ? 100 GLY   B CA   1 ? 1 
ATOM   1266 C C    . GLY   A 1 88  ? -25.688 9.07    4.367   1   30.509 ? 100 GLY   B C    1 ? 1 
ATOM   1267 O O    . GLY   A 1 88  ? -24.769 9.794   4.748   1   31.793 ? 100 GLY   B O    1 ? 1 
ATOM   1268 H H    . GLY   A 1 88  ? -27.75  8.464   2.396   1   29.684 ? 100 GLY   B H    1 c 1 
ATOM   1269 H HA2  . GLY   A 1 88  ? -26.885 10.388  3.298   1   31.683 ? 100 GLY   B HA2  1 c 1 
ATOM   1270 H HA3  . GLY   A 1 88  ? -27.507 10.01   4.717   1   32.647 ? 100 GLY   B HA3  1 c 1 
ATOM   1271 N N    . GLU   A 1 89  ? -25.53  7.768   4.267   1   27.793 ? 101 GLU   B N    1 ? 1 
ATOM   1272 C CA   . GLU   A 1 89  ? -24.265 7.138   4.69    1   26.562 ? 101 GLU   B CA   1 ? 1 
ATOM   1273 C C    . GLU   A 1 89  ? -23.163 7.429   3.671   1   25.6   ? 101 GLU   B C    1 ? 1 
ATOM   1274 O O    . GLU   A 1 89  ? -23.378 7.491   2.445   1   25.48  ? 101 GLU   B O    1 ? 1 
ATOM   1275 C CB   . GLU   A 1 89  ? -24.508 5.634   4.791   1   25.398 ? 101 GLU   B CB   1 ? 1 
ATOM   1276 C CG   . GLU   A 1 89  ? -23.326 4.78    5.258   1   25.341 ? 101 GLU   B CG   1 ? 1 
ATOM   1277 C CD   . GLU   A 1 89  ? -23.673 3.319   5.43    1   24.705 ? 101 GLU   B CD   1 ? 1 
ATOM   1278 O OE1  . GLU   A 1 89  ? -24.781 3.016   6.005   1   25.177 ? 101 GLU   B OE1  1 ? 1 
ATOM   1279 O OE2  . GLU   A 1 89  ? -22.802 2.482   5.007   1   22.176 ? 101 GLU   B OE2  1 ? 1 
ATOM   1280 H H    . GLU   A 1 89  ? -26.197 7.244   3.93    1   28.045 ? 101 GLU   B H    1 c 1 
ATOM   1281 H HA   . GLU   A 1 89  ? -24.009 7.499   5.573   1   27.29  ? 101 GLU   B HA   1 c 1 
ATOM   1282 H HB2  . GLU   A 1 89  ? -25.257 5.484   5.404   1   26.663 ? 101 GLU   B HB2  1 c 1 
ATOM   1283 H HB3  . GLU   A 1 89  ? -24.778 5.306   3.909   1   25.12  ? 101 GLU   B HB3  1 c 1 
ATOM   1284 H HG2  . GLU   A 1 89  ? -22.597 4.853   4.605   1   24.139 ? 101 GLU   B HG2  1 c 1 
ATOM   1285 H HG3  . GLU   A 1 89  ? -22.997 5.126   6.114   1   25.73  ? 101 GLU   B HG3  1 c 1 
ATOM   1286 N N    . ILE   A 1 90  ? -21.934 7.59    4.195   1   24.067 ? 102 ILE   B N    1 ? 1 
ATOM   1287 C CA   . ILE   A 1 90  ? -20.743 7.528   3.404   1   23.17  ? 102 ILE   B CA   1 ? 1 
ATOM   1288 C C    . ILE   A 1 90  ? -19.933 6.331   3.865   1   24.004 ? 102 ILE   B C    1 ? 1 
ATOM   1289 O O    . ILE   A 1 90  ? -19.706 6.166   5.058   1   23.688 ? 102 ILE   B O    1 ? 1 
ATOM   1290 C CB   . ILE   A 1 90  ? -19.926 8.809   3.517   1   25.518 ? 102 ILE   B CB   1 ? 1 
ATOM   1291 C CG1  . ILE   A 1 90  ? -20.723 10.047  3.061   1   28.61  ? 102 ILE   B CG1  1 ? 1 
ATOM   1292 C CG2  . ILE   A 1 90  ? -18.591 8.719   2.806   1   25.33  ? 102 ILE   B CG2  1 ? 1 
ATOM   1293 C CD1  . ILE   A 1 90  ? -20.012 11.356  3.284   1   31.214 ? 102 ILE   B CD1  1 ? 1 
ATOM   1294 H H    . ILE   A 1 90  ? -21.852 7.748   5.091   1   25.08  ? 102 ILE   B H    1 c 1 
ATOM   1295 H HA   . ILE   A 1 90  ? -20.993 7.402   2.473   1   23.294 ? 102 ILE   B HA   1 c 1 
ATOM   1296 H HB   . ILE   A 1 90  ? -19.733 8.936   4.468   1   26.264 ? 102 ILE   B HB   1 c 1 
ATOM   1297 H HG12 . ILE   A 1 90  ? -20.921 9.957   2.107   1   28.013 ? 102 ILE   B HG12 1 c 1 
ATOM   1298 H HG13 . ILE   A 1 90  ? -21.575 10.068  3.542   1   29.013 ? 102 ILE   B HG13 1 c 1 
ATOM   1299 H HG21 . ILE   A 1 90  ? -18.072 9.522   2.98    1   26.182 ? 102 ILE   B HG21 1 c 1 
ATOM   1300 H HG22 . ILE   A 1 90  ? -18.737 8.633   1.849   1   24.761 ? 102 ILE   B HG22 1 c 1 
ATOM   1301 H HG23 . ILE   A 1 90  ? -18.098 7.946   3.127   1   24.368 ? 102 ILE   B HG23 1 c 1 
ATOM   1302 H HD11 . ILE   A 1 90  ? -19.678 11.396  4.201   1   31.349 ? 102 ILE   B HD11 1 c 1 
ATOM   1303 H HD12 . ILE   A 1 90  ? -20.634 12.092  3.134   1   32.12  ? 102 ILE   B HD12 1 c 1 
ATOM   1304 H HD13 . ILE   A 1 90  ? -19.263 11.437  2.664   1   30.612 ? 102 ILE   B HD13 1 c 1 
ATOM   1305 N N    . ALA   A 1 91  ? -19.523 5.507   2.906   1   20.768 ? 103 ALA   B N    1 ? 1 
ATOM   1306 C CA   . ALA   A 1 91  ? -18.722 4.328   3.222   1   21.264 ? 103 ALA   B CA   1 ? 1 
ATOM   1307 C C    . ALA   A 1 91  ? -17.495 4.265   2.311   1   20.975 ? 103 ALA   B C    1 ? 1 
ATOM   1308 O O    . ALA   A 1 91  ? -17.502 4.81    1.173   1   21.071 ? 103 ALA   B O    1 ? 1 
ATOM   1309 C CB   . ALA   A 1 91  ? -19.564 3.092   3.106   1   20.144 ? 103 ALA   B CB   1 ? 1 
ATOM   1310 H H    . ALA   A 1 91  ? -19.74  5.676   2.034   1   21.386 ? 103 ALA   B H    1 c 1 
ATOM   1311 H HA   . ALA   A 1 91  ? -18.403 4.412   4.161   1   21.437 ? 103 ALA   B HA   1 c 1 
ATOM   1312 H HB1  . ALA   A 1 91  ? -20.31  3.145   3.727   1   20.945 ? 103 ALA   B HB1  1 c 1 
ATOM   1313 H HB2  . ALA   A 1 91  ? -19.906 3.013   2.199   1   19.954 ? 103 ALA   B HB2  1 c 1 
ATOM   1314 H HB3  . ALA   A 1 91  ? -19.027 2.31    3.315   1   19.738 ? 103 ALA   B HB3  1 c 1 
ATOM   1315 N N    . HIS   A 1 92  ? -16.488 3.563   2.789   1   17.137 ? 104 HIS   B N    1 ? 1 
ATOM   1316 C CA   . HIS   A 1 92  ? -15.371 3.148   1.989   1   17.551 ? 104 HIS   B CA   1 ? 1 
ATOM   1317 C C    . HIS   A 1 92  ? -15.418 1.657   1.696   1   19.774 ? 104 HIS   B C    1 ? 1 
ATOM   1318 O O    . HIS   A 1 92  ? -15.711 0.826   2.564   1   18.941 ? 104 HIS   B O    1 ? 1 
ATOM   1319 C CB   . HIS   A 1 92  ? -14.069 3.406   2.739   1   18.11  ? 104 HIS   B CB   1 ? 1 
ATOM   1320 C CG   . HIS   A 1 92  ? -13.705 4.854   2.844   1   18.996 ? 104 HIS   B CG   1 ? 1 
ATOM   1321 N ND1  . HIS   A 1 92  ? -12.57  5.295   3.47    1   19.125 ? 104 HIS   B ND1  1 ? 1 
ATOM   1322 C CD2  . HIS   A 1 92  ? -14.314 5.926   2.293   1   19.571 ? 104 HIS   B CD2  1 ? 1 
ATOM   1323 C CE1  . HIS   A 1 92  ? -12.475 6.603   3.279   1   20.259 ? 104 HIS   B CE1  1 ? 1 
ATOM   1324 N NE2  . HIS   A 1 92  ? -13.532 7.009   2.562   1   19.275 ? 104 HIS   B NE2  1 ? 1 
ATOM   1325 H H    . HIS   A 1 92  ? -16.498 3.327   3.672   1   18.412 ? 104 HIS   B H    1 c 1 
ATOM   1326 H HA   . HIS   A 1 92  ? -15.371 3.643   1.137   1   17.991 ? 104 HIS   B HA   1 c 1 
ATOM   1327 H HB2  . HIS   A 1 92  ? -14.148 3.031   3.643   1   18.195 ? 104 HIS   B HB2  1 c 1 
ATOM   1328 H HB3  . HIS   A 1 92  ? -13.342 2.929   2.281   1   17.671 ? 104 HIS   B HB3  1 c 1 
ATOM   1329 H HD1  . HIS   A 1 92  ? -11.989 4.816   3.912   0   30     ? 104 HIS   B HD1  1 c 1 
ATOM   1330 H HD2  . HIS   A 1 92  ? -15.097 5.929   1.778   1   18.839 ? 104 HIS   B HD2  1 c 1 
ATOM   1331 H HE1  . HIS   A 1 92  ? -11.806 7.159   3.64    1   21.264 ? 104 HIS   B HE1  1 c 1 
ATOM   1332 H HE2  . HIS   A 1 92  ? -13.703 7.842   2.326   0   30     ? 104 HIS   B HE2  1 c 1 
ATOM   1333 N N    . LEU   A 1 93  ? -15.203 1.318   0.431   1   16.836 ? 105 LEU   B N    1 ? 1 
ATOM   1334 C CA   . LEU   A 1 93  ? -15.113 -0.088  0.023   1   18.88  ? 105 LEU   B CA   1 ? 1 
ATOM   1335 C C    . LEU   A 1 93  ? -13.731 -0.355  -0.575  1   19.593 ? 105 LEU   B C    1 ? 1 
ATOM   1336 O O    . LEU   A 1 93  ? -13.268 0.435   -1.409  1   17.986 ? 105 LEU   B O    1 ? 1 
ATOM   1337 C CB   . LEU   A 1 93  ? -16.134 -0.54   -1.037  1   18.08  ? 105 LEU   B CB   1 ? 1 
ATOM   1338 C CG   . LEU   A 1 93  ? -17.616 -0.298  -0.753  1   19.1   ? 105 LEU   B CG   1 ? 1 
ATOM   1339 C CD1  . LEU   A 1 93  ? -18.524 -0.687  -1.901  1   20.687 ? 105 LEU   B CD1  1 ? 1 
ATOM   1340 C CD2  . LEU   A 1 93  ? -17.974 -1.069  0.536   1   19.108 ? 105 LEU   B CD2  1 ? 1 
ATOM   1341 H H    . LEU   A 1 93  ? -15.108 1.969   -0.204  1   18.245 ? 105 LEU   B H    1 c 1 
ATOM   1342 H HA   . LEU   A 1 93  ? -15.219 -0.65   0.827   1   18.239 ? 105 LEU   B HA   1 c 1 
ATOM   1343 H HB2  . LEU   A 1 93  ? -15.909 -0.09   -1.884  1   18.528 ? 105 LEU   B HB2  1 c 1 
ATOM   1344 H HB3  . LEU   A 1 93  ? -16.005 -1.504  -1.189  1   17.994 ? 105 LEU   B HB3  1 c 1 
ATOM   1345 H HG   . LEU   A 1 93  ? -17.742 0.67    -0.577  1   19.7   ? 105 LEU   B HG   1 c 1 
ATOM   1346 H HD11 . LEU   A 1 93  ? -18.306 -0.154  -2.684  1   20.427 ? 105 LEU   B HD11 1 c 1 
ATOM   1347 H HD12 . LEU   A 1 93  ? -19.45  -0.529  -1.65   1   20.614 ? 105 LEU   B HD12 1 c 1 
ATOM   1348 H HD13 . LEU   A 1 93  ? -18.402 -1.629  -2.107  1   19.904 ? 105 LEU   B HD13 1 c 1 
ATOM   1349 H HD21 . LEU   A 1 93  ? -17.599 -0.609  1.306   1   19.382 ? 105 LEU   B HD21 1 c 1 
ATOM   1350 H HD22 . LEU   A 1 93  ? -17.611 -1.969  0.489   1   18.767 ? 105 LEU   B HD22 1 c 1 
ATOM   1351 H HD23 . LEU   A 1 93  ? -18.941 -1.115  0.628   1   19.443 ? 105 LEU   B HD23 1 c 1 
ATOM   1352 N N    . LEU   A 1 94  ? -13.161 -1.517  -0.255  1   16.905 ? 106 LEU   B N    1 ? 1 
ATOM   1353 C CA   . LEU   A 1 94  ? -11.991 -2.068  -0.934  1   17.246 ? 106 LEU   B CA   1 ? 1 
ATOM   1354 C C    . LEU   A 1 94  ? -12.398 -3.404  -1.511  1   16.928 ? 106 LEU   B C    1 ? 1 
ATOM   1355 O O    . LEU   A 1 94  ? -12.963 -4.229  -0.79   1   16.783 ? 106 LEU   B O    1 ? 1 
ATOM   1356 C CB   . LEU   A 1 94  ? -10.777 -2.203  -0.022  1   18.612 ? 106 LEU   B CB   1 ? 1 
ATOM   1357 C CG   . LEU   A 1 94  ? -9.454  -2.522  -0.693  1   21.416 ? 106 LEU   B CG   1 ? 1 
ATOM   1358 C CD1  . LEU   A 1 94  ? -8.949  -1.356  -1.573  1   19.439 ? 106 LEU   B CD1  1 ? 1 
ATOM   1359 C CD2  . LEU   A 1 94  ? -8.452  -2.878  0.307   1   23.793 ? 106 LEU   B CD2  1 ? 1 
ATOM   1360 H H    . LEU   A 1 94  ? -13.523 -2      0.431   1   17.422 ? 106 LEU   B H    1 c 1 
ATOM   1361 H HA   . LEU   A 1 94  ? -11.761 -1.466  -1.683  1   17.66  ? 106 LEU   B HA   1 c 1 
ATOM   1362 H HB2  . LEU   A 1 94  ? -10.675 -1.36   0.476   1   19.393 ? 106 LEU   B HB2  1 c 1 
ATOM   1363 H HB3  . LEU   A 1 94  ? -10.968 -2.91   0.637   1   18.808 ? 106 LEU   B HB3  1 c 1 
ATOM   1364 H HG   . LEU   A 1 94  ? -9.589  -3.31   -1.281  1   20.37  ? 106 LEU   B HG   1 c 1 
ATOM   1365 H HD11 . LEU   A 1 94  ? -9.585  -1.186  -2.286  1   19.873 ? 106 LEU   B HD11 1 c 1 
ATOM   1366 H HD12 . LEU   A 1 94  ? -8.088  -1.589  -1.958  1   20.691 ? 106 LEU   B HD12 1 c 1 
ATOM   1367 H HD13 . LEU   A 1 94  ? -8.853  -0.556  -1.029  1   20.656 ? 106 LEU   B HD13 1 c 1 
ATOM   1368 H HD21 . LEU   A 1 94  ? -8.731  -3.682  0.776   1   22.941 ? 106 LEU   B HD21 1 c 1 
ATOM   1369 H HD22 . LEU   A 1 94  ? -8.355  -2.15   0.944   1   23.724 ? 106 LEU   B HD22 1 c 1 
ATOM   1370 H HD23 . LEU   A 1 94  ? -7.599  -3.04   -0.13   1   23.672 ? 106 LEU   B HD23 1 c 1 
ATOM   1371 N N    . ILE   A 1 95  ? -12.068 -3.62   -2.799  1   17.268 ? 107 ILE   B N    1 ? 1 
ATOM   1372 C CA   . ILE   A 1 95  ? -12.686 -4.666  -3.568  1   16.356 ? 107 ILE   B CA   1 ? 1 
ATOM   1373 C C    . ILE   A 1 95  ? -11.657 -5.47   -4.36   1   17.742 ? 107 ILE   B C    1 ? 1 
ATOM   1374 O O    . ILE   A 1 95  ? -10.869 -4.917  -5.114  1   16.63  ? 107 ILE   B O    1 ? 1 
ATOM   1375 C CB   . ILE   A 1 95  ? -13.66  -3.98   -4.55   1   15.433 ? 107 ILE   B CB   1 ? 1 
ATOM   1376 C CG1  . ILE   A 1 95  ? -14.757 -3.149  -3.843  1   16.469 ? 107 ILE   B CG1  1 ? 1 
ATOM   1377 C CG2  . ILE   A 1 95  ? -14.221 -5.066  -5.476  1   15.793 ? 107 ILE   B CG2  1 ? 1 
ATOM   1378 C CD1  . ILE   A 1 95  ? -15.377 -2.129  -4.74   1   18.905 ? 107 ILE   B CD1  1 ? 1 
ATOM   1379 H H    . ILE   A 1 95  ? -11.435 -3.095  -3.197  1   17.435 ? 107 ILE   B H    1 c 1 
ATOM   1380 H HA   . ILE   A 1 95  ? -13.187 -5.258  -2.977  1   16.234 ? 107 ILE   B HA   1 c 1 
ATOM   1381 H HB   . ILE   A 1 95  ? -13.135 -3.365  -5.1    1   16.296 ? 107 ILE   B HB   1 c 1 
ATOM   1382 H HG12 . ILE   A 1 95  ? -15.454 -3.754  -3.518  1   16.459 ? 107 ILE   B HG12 1 c 1 
ATOM   1383 H HG13 . ILE   A 1 95  ? -14.368 -2.693  -3.07   1   16.594 ? 107 ILE   B HG13 1 c 1 
ATOM   1384 H HG21 . ILE   A 1 95  ? -15.042 -4.749  -5.887  1   15.987 ? 107 ILE   B HG21 1 c 1 
ATOM   1385 H HG22 . ILE   A 1 95  ? -14.408 -5.87   -4.964  1   15.552 ? 107 ILE   B HG22 1 c 1 
ATOM   1386 H HG23 . ILE   A 1 95  ? -13.574 -5.27   -6.173  1   16.108 ? 107 ILE   B HG23 1 c 1 
ATOM   1387 H HD11 . ILE   A 1 95  ? -14.677 -1.583  -5.144  1   18.614 ? 107 ILE   B HD11 1 c 1 
ATOM   1388 H HD12 . ILE   A 1 95  ? -15.975 -1.557  -4.221  1   18.336 ? 107 ILE   B HD12 1 c 1 
ATOM   1389 H HD13 . ILE   A 1 95  ? -15.886 -2.575  -5.443  1   18.452 ? 107 ILE   B HD13 1 c 1 
ATOM   1390 N N    . LYS   A 1 96  ? -11.646 -6.782  -4.165  1   16.074 ? 108 LYS   B N    1 ? 1 
ATOM   1391 C CA   . LYS   A 1 96  ? -10.809 -7.728  -4.858  1   17.846 ? 108 LYS   B CA   1 ? 1 
ATOM   1392 C C    . LYS   A 1 96  ? -11.37  -7.928  -6.251  1   16.271 ? 108 LYS   B C    1 ? 1 
ATOM   1393 O O    . LYS   A 1 96  ? -12.588 -7.727  -6.532  1   16.324 ? 108 LYS   B O    1 ? 1 
ATOM   1394 C CB   . LYS   A 1 96  ? -10.732 -9.095  -4.169  1   22.001 ? 108 LYS   B CB   1 ? 1 
ATOM   1395 C CG   . LYS   A 1 96  ? -9.981  -9.074  -2.866  1   23.707 ? 108 LYS   B CG   1 ? 1 
ATOM   1396 C CD   . LYS   A 1 96  ? -9.929  -10.451 -2.209  1   25.846 ? 108 LYS   B CD   1 ? 1 
ATOM   1397 C CE   . LYS   A 1 96  ? -9.199  -10.473 -0.913  1   28.513 ? 108 LYS   B CE   1 ? 1 
ATOM   1398 N NZ   . LYS   A 1 96  ? -9.181  -11.896 -0.551  1   35.729 ? 108 LYS   B NZ   1 ? 1 
ATOM   1399 H H    . LYS   A 1 96  ? -12.219 -7.115  -3.536  1   16.512 ? 108 LYS   B H    1 c 1 
ATOM   1400 H HA   . LYS   A 1 96  ? -9.898  -7.347  -4.924  1   18.191 ? 108 LYS   B HA   1 c 1 
ATOM   1401 H HB2  . LYS   A 1 96  ? -11.644 -9.415  -3.999  1   21.106 ? 108 LYS   B HB2  1 c 1 
ATOM   1402 H HB3  . LYS   A 1 96  ? -10.298 -9.737  -4.769  1   21.738 ? 108 LYS   B HB3  1 c 1 
ATOM   1403 H HG2  . LYS   A 1 96  ? -9.068  -8.758  -3.031  1   24.125 ? 108 LYS   B HG2  1 c 1 
ATOM   1404 H HG3  . LYS   A 1 96  ? -10.42  -8.44   -2.257  1   23.356 ? 108 LYS   B HG3  1 c 1 
ATOM   1405 H HD2  . LYS   A 1 96  ? -10.845 -10.77  -2.065  1   25.75  ? 108 LYS   B HD2  1 c 1 
ATOM   1406 H HD3  . LYS   A 1 96  ? -9.494  -11.075 -2.83   1   26.458 ? 108 LYS   B HD3  1 c 1 
ATOM   1407 H HE2  . LYS   A 1 96  ? -8.289  -10.141 -1.016  1   29.644 ? 108 LYS   B HE2  1 c 1 
ATOM   1408 H HE3  . LYS   A 1 96  ? -9.664  -9.958  -0.231  1   29.019 ? 108 LYS   B HE3  1 c 1 
ATOM   1409 H HZ1  . LYS   A 1 96  ? -8.701  -12.368 -1.158  1   33.791 ? 108 LYS   B HZ1  1 c 1 
ATOM   1410 H HZ2  . LYS   A 1 96  ? -10.025 -12.224 -0.516  1   33.305 ? 108 LYS   B HZ2  1 c 1 
ATOM   1411 H HZ3  . LYS   A 1 96  ? -8.796  -11.993 0.263   1   33.954 ? 108 LYS   B HZ3  1 c 1 
ATOM   1412 N N    . PRO   A 1 97  ? -10.513 -8.34   -7.191  1   17.954 ? 109 PRO   B N    1 ? 1 
ATOM   1413 C CA   . PRO   A 1 97  ? -10.881 -8.413  -8.604  1   17.677 ? 109 PRO   B CA   1 ? 1 
ATOM   1414 C C    . PRO   A 1 97  ? -12.057 -9.342  -8.877  1   16.358 ? 109 PRO   B C    1 ? 1 
ATOM   1415 O O    . PRO   A 1 97  ? -12.806 -9.029  -9.811  1   17.932 ? 109 PRO   B O    1 ? 1 
ATOM   1416 C CB   . PRO   A 1 97  ? -9.629  -8.889  -9.348  1   21.132 ? 109 PRO   B CB   1 ? 1 
ATOM   1417 C CG   . PRO   A 1 97  ? -8.611  -9.148  -8.277  1   20.888 ? 109 PRO   B CG   1 ? 1 
ATOM   1418 C CD   . PRO   A 1 97  ? -9.068  -8.573  -6.979  1   21.172 ? 109 PRO   B CD   1 ? 1 
ATOM   1419 H HA   . PRO   A 1 97  ? -11.108 -7.512  -8.917  1   18.053 ? 109 PRO   B HA   1 c 1 
ATOM   1420 H HB2  . PRO   A 1 97  ? -9.814  -9.705  -9.854  1   21.076 ? 109 PRO   B HB2  1 c 1 
ATOM   1421 H HB3  . PRO   A 1 97  ? -9.313  -8.204  -9.968  1   21.17  ? 109 PRO   B HB3  1 c 1 
ATOM   1422 H HG2  . PRO   A 1 97  ? -8.473  -10.111 -8.177  1   21.423 ? 109 PRO   B HG2  1 c 1 
ATOM   1423 H HG3  . PRO   A 1 97  ? -7.756  -8.748  -8.528  1   21.804 ? 109 PRO   B HG3  1 c 1 
ATOM   1424 H HD2  . PRO   A 1 97  ? -8.918  -9.199  -6.248  1   20.037 ? 109 PRO   B HD2  1 c 1 
ATOM   1425 H HD3  . PRO   A 1 97  ? -8.607  -7.733  -6.784  1   20.237 ? 109 PRO   B HD3  1 c 1 
ATOM   1426 N N    . GLU   A 1 98  ? -12.22  -10.402 -8.057  1   17.642 ? 110 GLU   B N    1 ? 1 
ATOM   1427 C CA   . GLU   A 1 98  ? -13.306 -11.359 -8.304  1   20.047 ? 110 GLU   B CA   1 ? 1 
ATOM   1428 C C    . GLU   A 1 98  ? -14.665 -10.677 -8.106  1   17.154 ? 110 GLU   B C    1 ? 1 
ATOM   1429 O O    . GLU   A 1 98  ? -15.648 -11.186 -8.644  1   19.393 ? 110 GLU   B O    1 ? 1 
ATOM   1430 C CB   . GLU   A 1 98  ? -13.237 -12.557 -7.374  1   25.582 ? 110 GLU   B CB   1 ? 1 
ATOM   1431 C CG   . GLU   A 1 98  ? -12.005 -13.43  -7.63   1   30.664 ? 110 GLU   B CG   1 ? 1 
ATOM   1432 C CD   . GLU   A 1 98  ? -10.655 -12.874 -7.13   1   37.042 ? 110 GLU   B CD   1 ? 1 
ATOM   1433 O OE1  . GLU   A 1 98  ? -10.517 -11.919 -6.268  1   21.471 ? 110 GLU   B OE1  1 ? 1 
ATOM   1434 O OE2  . GLU   A 1 98  ? -9.671  -13.415 -7.734  1   37.507 ? 110 GLU   B OE2  1 ? 1 
ATOM   1435 H H    . GLU   A 1 98  ? -11.665 -10.526 -7.342  1   17.47  ? 110 GLU   B H    1 c 1 
ATOM   1436 H HA   . GLU   A 1 98  ? -13.24  -11.673 -9.242  1   20.813 ? 110 GLU   B HA   1 c 1 
ATOM   1437 H HB2  . GLU   A 1 98  ? -13.221 -12.239 -6.447  1   24.328 ? 110 GLU   B HB2  1 c 1 
ATOM   1438 H HB3  . GLU   A 1 98  ? -14.045 -13.099 -7.492  1   25.383 ? 110 GLU   B HB3  1 c 1 
ATOM   1439 H HG2  . GLU   A 1 98  ? -12.15  -14.302 -7.207  1   31.41  ? 110 GLU   B HG2  1 c 1 
ATOM   1440 H HG3  . GLU   A 1 98  ? -11.931 -13.59  -8.596  1   31.702 ? 110 GLU   B HG3  1 c 1 
ATOM   1441 N N    . TYR   A 1 99  ? -14.735 -9.496  -7.465  1   17.294 ? 111 TYR   B N    1 ? 1 
ATOM   1442 C CA   . TYR   A 1 99  ? -15.981 -8.761  -7.267  1   16.395 ? 111 TYR   B CA   1 ? 1 
ATOM   1443 C C    . TYR   A 1 99  ? -16.006 -7.475  -8.088  1   17.94  ? 111 TYR   B C    1 ? 1 
ATOM   1444 O O    . TYR   A 1 99  ? -16.845 -6.569  -7.915  1   17.099 ? 111 TYR   B O    1 ? 1 
ATOM   1445 C CB   . TYR   A 1 99  ? -16.226 -8.441  -5.784  1   16.911 ? 111 TYR   B CB   1 ? 1 
ATOM   1446 C CG   . TYR   A 1 99  ? -16.466 -9.699  -4.979  1   16.013 ? 111 TYR   B CG   1 ? 1 
ATOM   1447 C CD1  . TYR   A 1 99  ? -15.425 -10.454 -4.512  1   15.849 ? 111 TYR   B CD1  1 ? 1 
ATOM   1448 C CD2  . TYR   A 1 99  ? -17.741 -10.158 -4.726  1   20.166 ? 111 TYR   B CD2  1 ? 1 
ATOM   1449 C CE1  . TYR   A 1 99  ? -15.607 -11.62  -3.834  1   17.355 ? 111 TYR   B CE1  1 ? 1 
ATOM   1450 C CE2  . TYR   A 1 99  ? -17.955 -11.317 -4.017  1   20.785 ? 111 TYR   B CE2  1 ? 1 
ATOM   1451 C CZ   . TYR   A 1 99  ? -16.874 -12.048 -3.536  1   19.979 ? 111 TYR   B CZ   1 ? 1 
ATOM   1452 O OH   . TYR   A 1 99  ? -17.06  -13.275 -2.935  1   22.189 ? 111 TYR   B OH   1 ? 1 
ATOM   1453 H H    . TYR   A 1 99  ? -13.97  -9.141  -7.115  1   16.515 ? 111 TYR   B H    1 c 1 
ATOM   1454 H HA   . TYR   A 1 99  ? -16.729 -9.335  -7.58   1   17.565 ? 111 TYR   B HA   1 c 1 
ATOM   1455 H HB2  . TYR   A 1 99  ? -15.442 -7.969  -5.425  1   15.943 ? 111 TYR   B HB2  1 c 1 
ATOM   1456 H HB3  . TYR   A 1 99  ? -17.011 -7.855  -5.709  1   16.382 ? 111 TYR   B HB3  1 c 1 
ATOM   1457 H HD1  . TYR   A 1 99  ? -14.543 -10.17  -4.693  1   15.963 ? 111 TYR   B HD1  1 c 1 
ATOM   1458 H HD2  . TYR   A 1 99  ? -18.483 -9.659  -5.031  1   19.414 ? 111 TYR   B HD2  1 c 1 
ATOM   1459 H HE1  . TYR   A 1 99  ? -14.862 -12.114 -3.537  1   17.701 ? 111 TYR   B HE1  1 c 1 
ATOM   1460 H HE2  . TYR   A 1 99  ? -18.834 -11.621 -3.864  1   21.156 ? 111 TYR   B HE2  1 c 1 
ATOM   1461 H HH   . TYR   A 1 99  ? -16.304 -13.64  -2.775  0   30     ? 111 TYR   B HH   1 c 1 
ATOM   1462 N N    . ALA   A 1 100 ? -15.066 -7.358  -9.061  1   18.26  ? 112 ALA   B N    1 ? 1 
ATOM   1463 C CA   . ALA   A 1 100 ? -15.005 -6.182  -9.894  1   17.365 ? 112 ALA   B CA   1 ? 1 
ATOM   1464 C C    . ALA   A 1 100 ? -14.811 -6.613  -11.344 1   18.358 ? 112 ALA   B C    1 ? 1 
ATOM   1465 O O    . ALA   A 1 100 ? -15.74  -7.107  -11.93  1   19.794 ? 112 ALA   B O    1 ? 1 
ATOM   1466 C CB   . ALA   A 1 100 ? -13.889 -5.28   -9.415  1   18.82  ? 112 ALA   B CB   1 ? 1 
ATOM   1467 H H    . ALA   A 1 100 ? -14.466 -8.032  -9.202  1   18.105 ? 112 ALA   B H    1 c 1 
ATOM   1468 H HA   . ALA   A 1 100 ? -15.87  -5.697  -9.827  1   17.917 ? 112 ALA   B HA   1 c 1 
ATOM   1469 H HB1  . ALA   A 1 100 ? -14.163 -4.829  -8.599  1   17.603 ? 112 ALA   B HB1  1 c 1 
ATOM   1470 H HB2  . ALA   A 1 100 ? -13.093 -5.809  -9.236  1   18.153 ? 112 ALA   B HB2  1 c 1 
ATOM   1471 H HB3  . ALA   A 1 100 ? -13.688 -4.615  -10.095 1   18.936 ? 112 ALA   B HB3  1 c 1 
ATOM   1472 N N    . TYR   A 1 101 ? -13.582 -6.546  -11.882 1   19.286 ? 113 TYR   B N    1 ? 1 
ATOM   1473 C CA   . TYR   A 1 101 ? -13.359 -6.79   -13.308 1   20.556 ? 113 TYR   B CA   1 ? 1 
ATOM   1474 C C    . TYR   A 1 101 ? -12.498 -8.033  -13.573 1   20.022 ? 113 TYR   B C    1 ? 1 
ATOM   1475 O O    . TYR   A 1 101 ? -12.229 -8.343  -14.708 1   22.068 ? 113 TYR   B O    1 ? 1 
ATOM   1476 C CB   . TYR   A 1 101 ? -12.776 -5.579  -14.024 1   21.419 ? 113 TYR   B CB   1 ? 1 
ATOM   1477 C CG   . TYR   A 1 101 ? -13.614 -4.327  -13.932 1   20.031 ? 113 TYR   B CG   1 ? 1 
ATOM   1478 C CD1  . TYR   A 1 101 ? -14.703 -4.157  -14.758 1   21.621 ? 113 TYR   B CD1  1 ? 1 
ATOM   1479 C CD2  . TYR   A 1 101 ? -13.457 -3.428  -12.9   1   19.018 ? 113 TYR   B CD2  1 ? 1 
ATOM   1480 C CE1  . TYR   A 1 101 ? -15.508 -3.042  -14.697 1   23.607 ? 113 TYR   B CE1  1 ? 1 
ATOM   1481 C CE2  . TYR   A 1 101 ? -14.261 -2.296  -12.809 1   18.925 ? 113 TYR   B CE2  1 ? 1 
ATOM   1482 C CZ   . TYR   A 1 101 ? -15.317 -2.125  -13.661 1   20.617 ? 113 TYR   B CZ   1 ? 1 
ATOM   1483 O OH   . TYR   A 1 101 ? -16.099 -1.027  -13.566 1   25.304 ? 113 TYR   B OH   1 ? 1 
ATOM   1484 H H    . TYR   A 1 101 ? -12.863 -6.351  -11.353 1   18.644 ? 113 TYR   B H    1 c 1 
ATOM   1485 H HA   . TYR   A 1 101 ? -14.247 -6.963  -13.717 1   20.895 ? 113 TYR   B HA   1 c 1 
ATOM   1486 H HB2  . TYR   A 1 101 ? -11.888 -5.393  -13.646 1   20.864 ? 113 TYR   B HB2  1 c 1 
ATOM   1487 H HB3  . TYR   A 1 101 ? -12.654 -5.807  -14.972 1   22.509 ? 113 TYR   B HB3  1 c 1 
ATOM   1488 H HD1  . TYR   A 1 101 ? -14.843 -4.778  -15.456 1   22.842 ? 113 TYR   B HD1  1 c 1 
ATOM   1489 H HD2  . TYR   A 1 101 ? -12.738 -3.534  -12.297 1   18.342 ? 113 TYR   B HD2  1 c 1 
ATOM   1490 H HE1  . TYR   A 1 101 ? -16.226 -2.938  -15.299 1   23.739 ? 113 TYR   B HE1  1 c 1 
ATOM   1491 H HE2  . TYR   A 1 101 ? -14.117 -1.673  -12.119 1   18.635 ? 113 TYR   B HE2  1 c 1 
ATOM   1492 H HH   . TYR   A 1 101 ? -16.7   -1.038  -14.195 0   30     ? 113 TYR   B HH   1 c 1 
ATOM   1493 N N    . GLY   A 1 102 ? -12.098 -8.765  -12.545 1   19.716 ? 114 GLY   B N    1 ? 1 
ATOM   1494 C CA   . GLY   A 1 102 ? -11.584 -10.122 -12.704 1   21.558 ? 114 GLY   B CA   1 ? 1 
ATOM   1495 C C    . GLY   A 1 102 ? -10.208 -10.197 -13.386 1   23.82  ? 114 GLY   B C    1 ? 1 
ATOM   1496 O O    . GLY   A 1 102 ? -9.524  -9.184  -13.566 1   22.575 ? 114 GLY   B O    1 ? 1 
ATOM   1497 H H    . GLY   A 1 102 ? -12.135 -8.411  -11.704 1   18.764 ? 114 GLY   B H    1 c 1 
ATOM   1498 H HA2  . GLY   A 1 102 ? -11.523 -10.54  -11.813 1   20.583 ? 114 GLY   B HA2  1 c 1 
ATOM   1499 H HA3  . GLY   A 1 102 ? -12.233 -10.643 -13.232 1   22.138 ? 114 GLY   B HA3  1 c 1 
ATOM   1500 N N    . SER   A 1 103 ? -9.938  -11.355 -13.973 1   24.778 ? 115 SER   B N    1 ? 1 
ATOM   1501 C CA   . SER   A 1 103 ? -8.661  -11.576 -14.659 1   24.21  ? 115 SER   B CA   1 ? 1 
ATOM   1502 C C    . SER   A 1 103 ? -8.67   -10.848 -15.986 1   24.3   ? 115 SER   B C    1 ? 1 
ATOM   1503 O O    . SER   A 1 103 ? -7.647  -10.494 -16.524 1   25.911 ? 115 SER   B O    1 ? 1 
ATOM   1504 C CB   . SER   A 1 103 ? -8.375  -13.059 -14.759 1   25.077 ? 115 SER   B CB   1 ? 1 
ATOM   1505 O OG   . SER   A 1 103 ? -9.351  -13.648 -15.567 1   28.841 ? 115 SER   B OG   1 ? 1 
ATOM   1506 H H    . SER   A 1 103 ? -10.553 -12.031 -13.951 1   24.338 ? 115 SER   B H    1 c 1 
ATOM   1507 H HA   . SER   A 1 103 ? -7.951  -11.17  -14.105 1   23.779 ? 115 SER   B HA   1 c 1 
ATOM   1508 H HB2  . SER   A 1 103 ? -7.492  -13.199 -15.149 1   26.781 ? 115 SER   B HB2  1 c 1 
ATOM   1509 H HB3  . SER   A 1 103 ? -8.395  -13.459 -13.869 1   24.666 ? 115 SER   B HB3  1 c 1 
ATOM   1510 H HG   . SER   A 1 103 ? -9.191  -14.476 -15.624 0   30     ? 115 SER   B HG   1 c 1 
ATOM   1511 N N    . ALA   A 1 104 ? -9.83   -10.699 -16.643 1   23.465 ? 116 ALA   B N    1 ? 1 
ATOM   1512 C CA   . ALA   A 1 104 ? -9.858  -10.004 -17.892 1   25.077 ? 116 ALA   B CA   1 ? 1 
ATOM   1513 C C    . ALA   A 1 104 ? -9.551  -8.505  -17.82  1   24.134 ? 116 ALA   B C    1 ? 1 
ATOM   1514 O O    . ALA   A 1 104 ? -9.095  -7.906  -18.81  1   25.867 ? 116 ALA   B O    1 ? 1 
ATOM   1515 C CB   . ALA   A 1 104 ? -11.197 -10.172 -18.563 1   26.52  ? 116 ALA   B CB   1 ? 1 
ATOM   1516 H H    . ALA   A 1 104 ? -10.604 -11.044 -16.303 1   22.975 ? 116 ALA   B H    1 c 1 
ATOM   1517 H HA   . ALA   A 1 104 ? -9.166  -10.419 -18.479 1   26.583 ? 116 ALA   B HA   1 c 1 
ATOM   1518 H HB1  . ALA   A 1 104 ? -11.359 -11.114 -18.738 1   26.87  ? 116 ALA   B HB1  1 c 1 
ATOM   1519 H HB2  . ALA   A 1 104 ? -11.898 -9.828  -17.984 1   25.028 ? 116 ALA   B HB2  1 c 1 
ATOM   1520 H HB3  . ALA   A 1 104 ? -11.205 -9.683  -19.403 1   27.851 ? 116 ALA   B HB3  1 c 1 
ATOM   1521 N N    . GLY   A 1 105 ? -9.936  -7.947  -16.707 1   24.83  ? 117 GLY   B N    1 ? 1 
ATOM   1522 C CA   . GLY   A 1 105 ? -9.926  -6.514  -16.561 1   24.328 ? 117 GLY   B CA   1 ? 1 
ATOM   1523 C C    . GLY   A 1 105 ? -10.973 -5.828  -17.4   1   25.174 ? 117 GLY   B C    1 ? 1 
ATOM   1524 O O    . GLY   A 1 105 ? -11.916 -6.432  -17.958 1   25.685 ? 117 GLY   B O    1 ? 1 
ATOM   1525 H H    . GLY   A 1 105 ? -10.223 -8.461  -16.008 1   22.723 ? 117 GLY   B H    1 c 1 
ATOM   1526 H HA2  . GLY   A 1 105 ? -10.075 -6.291  -15.613 1   22.804 ? 117 GLY   B HA2  1 c 1 
ATOM   1527 H HA3  . GLY   A 1 105 ? -9.034  -6.176  -16.811 1   25.259 ? 117 GLY   B HA3  1 c 1 
ATOM   1528 N N    . SER   A 1 106 ? -10.657 -4.533  -17.664 1   27.1   ? 118 SER   B N    1 ? 1 
ATOM   1529 C CA   . SER   A 1 106 ? -11.467 -3.709  -18.523 1   26.657 ? 118 SER   B CA   1 ? 1 
ATOM   1530 C C    . SER   A 1 106 ? -10.616 -2.554  -19.044 1   29.416 ? 118 SER   B C    1 ? 1 
ATOM   1531 O O    . SER   A 1 106 ? -10.767 -1.368  -18.675 1   29.913 ? 118 SER   B O    1 ? 1 
ATOM   1532 C CB   . SER   A 1 106 ? -12.72  -3.193  -17.784 1   25.525 ? 118 SER   B CB   1 ? 1 
ATOM   1533 O OG   . SER   A 1 106 ? -13.578 -2.687  -18.815 1   26.84  ? 118 SER   B OG   1 ? 1 
ATOM   1534 H H    . SER   A 1 106 ? -9.911  -4.168  -17.282 1   26.15  ? 118 SER   B H    1 c 1 
ATOM   1535 H HA   . SER   A 1 106 ? -11.758 -4.255  -19.297 1   28.531 ? 118 SER   B HA   1 c 1 
ATOM   1536 H HB2  . SER   A 1 106 ? -13.157 -3.924  -17.306 1   24.044 ? 118 SER   B HB2  1 c 1 
ATOM   1537 H HB3  . SER   A 1 106 ? -12.481 -2.484  -17.158 1   24.488 ? 118 SER   B HB3  1 c 1 
ATOM   1538 H HG   . SER   A 1 106 ? -14.291 -2.39   -18.456 0   30     ? 118 SER   B HG   1 c 1 
ATOM   1539 N N    . LEU   A 1 107 ? -9.751  -2.869  -20.016 1   30.248 ? 119 LEU   B N    1 ? 1 
ATOM   1540 C CA   . LEU   A 1 107 ? -8.799  -1.882  -20.483 1   33.173 ? 119 LEU   B CA   1 ? 1 
ATOM   1541 C C    . LEU   A 1 107 ? -9.592  -0.834  -21.252 1   36.899 ? 119 LEU   B C    1 ? 1 
ATOM   1542 O O    . LEU   A 1 107 ? -10.482 -1.176  -22.076 1   39.167 ? 119 LEU   B O    1 ? 1 
ATOM   1543 C CB   . LEU   A 1 107 ? -7.719  -2.542  -21.331 1   35.839 ? 119 LEU   B CB   1 ? 1 
ATOM   1544 C CG   . LEU   A 1 107 ? -6.71   -3.38   -20.553 1   34.585 ? 119 LEU   B CG   1 ? 1 
ATOM   1545 C CD1  . LEU   A 1 107 ? -5.712  -3.952  -21.541 1   38.013 ? 119 LEU   B CD1  1 ? 1 
ATOM   1546 C CD2  . LEU   A 1 107 ? -6.016  -2.71   -19.375 1   34.369 ? 119 LEU   B CD2  1 ? 1 
ATOM   1547 H H    . LEU   A 1 107 ? -9.757  -3.704  -20.39  1   31.17  ? 119 LEU   B H    1 c 1 
ATOM   1548 H HA   . LEU   A 1 107 ? -8.383  -1.459  -19.692 1   32.323 ? 119 LEU   B HA   1 c 1 
ATOM   1549 H HB2  . LEU   A 1 107 ? -8.159  -3.122  -21.992 1   36.742 ? 119 LEU   B HB2  1 c 1 
ATOM   1550 H HB3  . LEU   A 1 107 ? -7.232  -1.841  -21.821 1   37.86  ? 119 LEU   B HB3  1 c 1 
ATOM   1551 H HG   . LEU   A 1 107 ? -7.206  -4.153  -20.178 1   33.322 ? 119 LEU   B HG   1 c 1 
ATOM   1552 H HD11 . LEU   A 1 107 ? -6.183  -4.46   -22.222 1   38.746 ? 119 LEU   B HD11 1 c 1 
ATOM   1553 H HD12 . LEU   A 1 107 ? -5.091  -4.535  -21.074 1   37.138 ? 119 LEU   B HD12 1 c 1 
ATOM   1554 H HD13 . LEU   A 1 107 ? -5.219  -3.227  -21.962 1   39.68  ? 119 LEU   B HD13 1 c 1 
ATOM   1555 H HD21 . LEU   A 1 107 ? -6.656  -2.566  -18.659 1   32.017 ? 119 LEU   B HD21 1 c 1 
ATOM   1556 H HD22 . LEU   A 1 107 ? -5.65   -1.855  -19.657 1   35.441 ? 119 LEU   B HD22 1 c 1 
ATOM   1557 H HD23 . LEU   A 1 107 ? -5.297  -3.279  -19.055 1   33.703 ? 119 LEU   B HD23 1 c 1 
ATOM   1558 N N    . PRO   A 1 108 ? -9.054  0.4     -21.35  1   39.888 ? 120 PRO   B N    1 ? 1 
ATOM   1559 C CA   . PRO   A 1 108 ? -7.752  0.745   -20.8   1   39.938 ? 120 PRO   B CA   1 ? 1 
ATOM   1560 C C    . PRO   A 1 108 ? -7.815  1.202   -19.359 1   37.594 ? 120 PRO   B C    1 ? 1 
ATOM   1561 O O    . PRO   A 1 108 ? -6.788  1.339   -18.736 1   39.547 ? 120 PRO   B O    1 ? 1 
ATOM   1562 C CB   . PRO   A 1 108 ? -7.263  1.834   -21.773 1   44.206 ? 120 PRO   B CB   1 ? 1 
ATOM   1563 C CG   . PRO   A 1 108 ? -8.581  2.529   -22.132 1   45.534 ? 120 PRO   B CG   1 ? 1 
ATOM   1564 C CD   . PRO   A 1 108 ? -9.594  1.438   -22.251 1   43.597 ? 120 PRO   B CD   1 ? 1 
ATOM   1565 H HA   . PRO   A 1 108 ? -7.152  -0.021  -20.866 1   40.017 ? 120 PRO   B HA   1 c 1 
ATOM   1566 H HB2  . PRO   A 1 108 ? -6.644  2.45    -21.334 1   44.47  ? 120 PRO   B HB2  1 c 1 
ATOM   1567 H HB3  . PRO   A 1 108 ? -6.841  1.442   -22.561 1   46.233 ? 120 PRO   B HB3  1 c 1 
ATOM   1568 H HG2  . PRO   A 1 108 ? -8.84   3.163   -21.434 1   44.055 ? 120 PRO   B HG2  1 c 1 
ATOM   1569 H HG3  . PRO   A 1 108 ? -8.498  3.012   -22.979 1   47.909 ? 120 PRO   B HG3  1 c 1 
ATOM   1570 H HD2  . PRO   A 1 108 ? -10.476 1.735   -21.951 1   42.451 ? 120 PRO   B HD2  1 c 1 
ATOM   1571 H HD3  . PRO   A 1 108 ? -9.657  1.107   -23.168 1   45.349 ? 120 PRO   B HD3  1 c 1 
ATOM   1572 N N    . LYS   A 1 109 ? -9.007  1.349   -18.792 1   38.464 ? 121 LYS   B N    1 ? 1 
ATOM   1573 C CA   . LYS   A 1 109 ? -9.096  1.918   -17.452 1   37.188 ? 121 LYS   B CA   1 ? 1 
ATOM   1574 C C    . LYS   A 1 109 ? -8.674  0.94    -16.377 1   34.442 ? 121 LYS   B C    1 ? 1 
ATOM   1575 O O    . LYS   A 1 109 ? -8.131  1.363   -15.359 1   35.465 ? 121 LYS   B O    1 ? 1 
ATOM   1576 C CB   . LYS   A 1 109 ? -10.49  2.418   -17.119 1   40.515 ? 121 LYS   B CB   1 ? 1 
ATOM   1577 C CG   . LYS   A 1 109 ? -10.853 3.659   -17.946 1   48.738 ? 121 LYS   B CG   1 ? 1 
ATOM   1578 C CD   . LYS   A 1 109 ? -12.145 4.337   -17.478 1   47.876 ? 121 LYS   B CD   1 ? 1 
ATOM   1579 C CE   . LYS   A 1 109 ? -12.378 5.586   -18.305 1   52.867 ? 121 LYS   B CE   1 ? 1 
ATOM   1580 N NZ   . LYS   A 1 109 ? -13.778 5.634   -18.717 1   53.655 ? 121 LYS   B NZ   1 ? 1 
ATOM   1581 H H    . LYS   A 1 109 ? -9.771  1.1     -19.228 1   38.025 ? 121 LYS   B H    1 c 1 
ATOM   1582 H HA   . LYS   A 1 109 ? -8.485  2.698   -17.412 1   38.839 ? 121 LYS   B HA   1 c 1 
ATOM   1583 H HB2  . LYS   A 1 109 ? -11.144 1.709   -17.302 1   39.829 ? 121 LYS   B HB2  1 c 1 
ATOM   1584 H HB3  . LYS   A 1 109 ? -10.54  2.643   -16.166 1   38.959 ? 121 LYS   B HB3  1 c 1 
ATOM   1585 H HG2  . LYS   A 1 109 ? -10.114 4.303   -17.889 1   48.304 ? 121 LYS   B HG2  1 c 1 
ATOM   1586 H HG3  . LYS   A 1 109 ? -10.952 3.392   -18.886 1   48.858 ? 121 LYS   B HG3  1 c 1 
ATOM   1587 H HD2  . LYS   A 1 109 ? -12.902 3.721   -17.589 1   47.625 ? 121 LYS   B HD2  1 c 1 
ATOM   1588 H HD3  . LYS   A 1 109 ? -12.067 4.582   -16.53  1   46.909 ? 121 LYS   B HD3  1 c 1 
ATOM   1589 H HE2  . LYS   A 1 109 ? -12.169 6.378   -17.778 1   52.537 ? 121 LYS   B HE2  1 c 1 
ATOM   1590 H HE3  . LYS   A 1 109 ? -11.81  5.582   -19.097 1   54.348 ? 121 LYS   B HE3  1 c 1 
ATOM   1591 H HZ1  . LYS   A 1 109 ? -14.316 5.58    -17.99  1   51.824 ? 121 LYS   B HZ1  1 c 1 
ATOM   1592 H HZ2  . LYS   A 1 109 ? -13.959 4.943   -19.275 1   53.801 ? 121 LYS   B HZ2  1 c 1 
ATOM   1593 H HZ3  . LYS   A 1 109 ? -13.941 6.414   -19.149 1   55.325 ? 121 LYS   B HZ3  1 c 1 
ATOM   1594 N N    . ILE   A 1 110 ? -9.07   -0.347  -16.502 1   30.965 ? 122 ILE   B N    1 ? 1 
ATOM   1595 C CA   . ILE   A 1 110 ? -8.881  -1.291  -15.431 1   27.304 ? 122 ILE   B CA   1 ? 1 
ATOM   1596 C C    . ILE   A 1 110 ? -7.984  -2.448  -15.912 1   28.899 ? 122 ILE   B C    1 ? 1 
ATOM   1597 O O    . ILE   A 1 110 ? -8.352  -3.143  -16.84  1   26.354 ? 122 ILE   B O    1 ? 1 
ATOM   1598 C CB   . ILE   A 1 110 ? -10.193 -1.895  -14.923 1   25.744 ? 122 ILE   B CB   1 ? 1 
ATOM   1599 C CG1  . ILE   A 1 110 ? -11.329 -0.835  -14.826 1   28.132 ? 122 ILE   B CG1  1 ? 1 
ATOM   1600 C CG2  . ILE   A 1 110 ? -9.894  -2.639  -13.617 1   26.318 ? 122 ILE   B CG2  1 ? 1 
ATOM   1601 C CD1  . ILE   A 1 110 ? -11.081 0.124   -13.672 1   27.234 ? 122 ILE   B CD1  1 ? 1 
ATOM   1602 H H    . ILE   A 1 110 ? -9.468  -0.627  -17.275 1   32.076 ? 122 ILE   B H    1 c 1 
ATOM   1603 H HA   . ILE   A 1 110 ? -8.444  -0.837  -14.689 1   27.344 ? 122 ILE   B HA   1 c 1 
ATOM   1604 H HB   . ILE   A 1 110 ? -10.48  -2.562  -15.578 1   27.087 ? 122 ILE   B HB   1 c 1 
ATOM   1605 H HG12 . ILE   A 1 110 ? -11.38  -0.331  -15.663 1   29.171 ? 122 ILE   B HG12 1 c 1 
ATOM   1606 H HG13 . ILE   A 1 110 ? -12.185 -1.29   -14.689 1   26.754 ? 122 ILE   B HG13 1 c 1 
ATOM   1607 H HG21 . ILE   A 1 110 ? -10.718 -2.76   -13.117 1   24.261 ? 122 ILE   B HG21 1 c 1 
ATOM   1608 H HG22 . ILE   A 1 110 ? -9.268  -2.124  -13.081 1   25.311 ? 122 ILE   B HG22 1 c 1 
ATOM   1609 H HG23 . ILE   A 1 110 ? -9.509  -3.509  -13.817 1   25.539 ? 122 ILE   B HG23 1 c 1 
ATOM   1610 H HD11 . ILE   A 1 110 ? -11.344 -0.299  -12.833 1   25.665 ? 122 ILE   B HD11 1 c 1 
ATOM   1611 H HD12 . ILE   A 1 110 ? -11.61  0.933   -13.806 1   27.737 ? 122 ILE   B HD12 1 c 1 
ATOM   1612 H HD13 . ILE   A 1 110 ? -10.135 0.361   -13.631 1   27.784 ? 122 ILE   B HD13 1 c 1 
ATOM   1613 N N    . PRO   A 1 111 ? -6.845  -2.684  -15.242 1   28.459 ? 123 PRO   B N    1 ? 1 
ATOM   1614 C CA   . PRO   A 1 111 ? -5.97   -3.774  -15.621 1   29.605 ? 123 PRO   B CA   1 ? 1 
ATOM   1615 C C    . PRO   A 1 111 ? -6.512  -5.093  -15.107 1   24.547 ? 123 PRO   B C    1 ? 1 
ATOM   1616 O O    . PRO   A 1 111 ? -7.399  -5.139  -14.312 1   22.447 ? 123 PRO   B O    1 ? 1 
ATOM   1617 C CB   . PRO   A 1 111 ? -4.625  -3.363  -15.039 1   30.933 ? 123 PRO   B CB   1 ? 1 
ATOM   1618 C CG   . PRO   A 1 111 ? -5.006  -2.543  -13.823 1   31.278 ? 123 PRO   B CG   1 ? 1 
ATOM   1619 C CD   . PRO   A 1 111 ? -6.313  -1.861  -14.139 1   30.411 ? 123 PRO   B CD   1 ? 1 
ATOM   1620 H HA   . PRO   A 1 111 ? -5.899  -3.811  -16.598 1   30.601 ? 123 PRO   B HA   1 c 1 
ATOM   1621 H HB2  . PRO   A 1 111 ? -4.1    -4.145  -14.784 1   31.089 ? 123 PRO   B HB2  1 c 1 
ATOM   1622 H HB3  . PRO   A 1 111 ? -4.116  -2.828  -15.677 1   33.082 ? 123 PRO   B HB3  1 c 1 
ATOM   1623 H HG2  . PRO   A 1 111 ? -5.107  -3.12   -13.039 1   29.189 ? 123 PRO   B HG2  1 c 1 
ATOM   1624 H HG3  . PRO   A 1 111 ? -4.316  -1.878  -13.629 1   31.552 ? 123 PRO   B HG3  1 c 1 
ATOM   1625 H HD2  . PRO   A 1 111 ? -6.917  -1.874  -13.371 1   28.175 ? 123 PRO   B HD2  1 c 1 
ATOM   1626 H HD3  . PRO   A 1 111 ? -6.173  -0.938  -14.428 1   30.957 ? 123 PRO   B HD3  1 c 1 
ATOM   1627 N N    . SER   A 1 112 ? -5.898  -6.172  -15.588 1   24.54  ? 124 SER   B N    1 ? 1 
ATOM   1628 C CA   . SER   A 1 112 ? -6.192  -7.487  -15.071 1   22.915 ? 124 SER   B CA   1 ? 1 
ATOM   1629 C C    . SER   A 1 112 ? -5.927  -7.505  -13.585 1   22.471 ? 124 SER   B C    1 ? 1 
ATOM   1630 O O    . SER   A 1 112 ? -4.93   -6.956  -13.125 1   23.692 ? 124 SER   B O    1 ? 1 
ATOM   1631 C CB   . SER   A 1 112 ? -5.364  -8.498  -15.887 1   24.513 ? 124 SER   B CB   1 ? 1 
ATOM   1632 O OG   . SER   A 1 112 ? -5.484  -9.775  -15.243 1   23.039 ? 124 SER   B OG   1 ? 1 
ATOM   1633 H H    . SER   A 1 112 ? -5.281  -6.083  -16.257 1   26.376 ? 124 SER   B H    1 c 1 
ATOM   1634 H HA   . SER   A 1 112 ? -7.153  -7.671  -15.223 1   22.657 ? 124 SER   B HA   1 c 1 
ATOM   1635 H HB2  . SER   A 1 112 ? -5.707  -8.549  -16.798 1   25.697 ? 124 SER   B HB2  1 c 1 
ATOM   1636 H HB3  . SER   A 1 112 ? -4.428  -8.222  -15.91  1   25.423 ? 124 SER   B HB3  1 c 1 
ATOM   1637 H HG   . SER   A 1 112 ? -5.014  -10.338 -15.687 0   30     ? 124 SER   B HG   1 c 1 
ATOM   1638 N N    . ASN   A 1 113 ? -6.796  -8.203  -12.826 1   20.405 ? 125 ASN   B N    1 ? 1 
ATOM   1639 C CA   . ASN   A 1 113 ? -6.563  -8.587  -11.45  1   21.594 ? 125 ASN   B CA   1 ? 1 
ATOM   1640 C C    . ASN   A 1 113 ? -6.431  -7.333  -10.573 1   20.57  ? 125 ASN   B C    1 ? 1 
ATOM   1641 O O    . ASN   A 1 113 ? -5.56   -7.31   -9.655  1   21.923 ? 125 ASN   B O    1 ? 1 
ATOM   1642 C CB   . ASN   A 1 113 ? -5.383  -9.545  -11.257 1   23.349 ? 125 ASN   B CB   1 ? 1 
ATOM   1643 C CG   . ASN   A 1 113 ? -5.667  -10.88  -11.936 1   26.17  ? 125 ASN   B CG   1 ? 1 
ATOM   1644 O OD1  . ASN   A 1 113 ? -6.85   -11.248 -12.052 1   27.706 ? 125 ASN   B OD1  1 ? 1 
ATOM   1645 N ND2  . ASN   A 1 113 ? -4.647  -11.61  -12.318 1   27.927 ? 125 ASN   B ND2  1 ? 1 
ATOM   1646 H H    . ASN   A 1 113 ? -7.589  -8.452  -13.205 1   20.923 ? 125 ASN   B H    1 c 1 
ATOM   1647 H HA   . ASN   A 1 113 ? -7.367  -9.064  -11.144 1   20.344 ? 125 ASN   B HA   1 c 1 
ATOM   1648 H HB2  . ASN   A 1 113 ? -4.573  -9.15   -11.638 1   24.665 ? 125 ASN   B HB2  1 c 1 
ATOM   1649 H HB3  . ASN   A 1 113 ? -5.234  -9.693  -10.302 1   22.786 ? 125 ASN   B HB3  1 c 1 
ATOM   1650 H HD21 . ASN   A 1 113 ? -4.783  -12.335 -12.812 1   28.546 ? 125 ASN   B HD21 1 c 1 
ATOM   1651 H HD22 . ASN   A 1 113 ? -3.824  -11.38  -12.084 1   28.275 ? 125 ASN   B HD22 1 c 1 
ATOM   1652 N N    . ALA   A 1 114 ? -7.276  -6.333  -10.864 1   18.992 ? 126 ALA   B N    1 ? 1 
ATOM   1653 C CA   . ALA   A 1 114 ? -7.156  -5.068  -10.151 1   20.979 ? 126 ALA   B CA   1 ? 1 
ATOM   1654 C C    . ALA   A 1 114 ? -7.978  -5.078  -8.867  1   20.542 ? 126 ALA   B C    1 ? 1 
ATOM   1655 O O    . ALA   A 1 114 ? -9.172  -5.424  -8.882  1   19.552 ? 126 ALA   B O    1 ? 1 
ATOM   1656 C CB   . ALA   A 1 114 ? -7.544  -3.899  -11.027 1   21.994 ? 126 ALA   B CB   1 ? 1 
ATOM   1657 H H    . ALA   A 1 114 ? -7.93   -6.437  -11.494 1   19.974 ? 126 ALA   B H    1 c 1 
ATOM   1658 H HA   . ALA   A 1 114 ? -6.199  -4.957  -9.896  1   21.36  ? 126 ALA   B HA   1 c 1 
ATOM   1659 H HB1  . ALA   A 1 114 ? -6.993  -3.894  -11.828 1   23.313 ? 126 ALA   B HB1  1 c 1 
ATOM   1660 H HB2  . ALA   A 1 114 ? -8.479  -3.978  -11.281 1   21.561 ? 126 ALA   B HB2  1 c 1 
ATOM   1661 H HB3  . ALA   A 1 114 ? -7.412  -3.068  -10.541 1   21.894 ? 126 ALA   B HB3  1 c 1 
ATOM   1662 N N    . THR   A 1 115 ? -7.368  -4.535  -7.785  1   19.659 ? 127 THR   B N    1 ? 1 
ATOM   1663 C CA   . THR   A 1 115 ? -8.086  -4.17   -6.576  1   18.775 ? 127 THR   B CA   1 ? 1 
ATOM   1664 C C    . THR   A 1 115 ? -8.499  -2.694  -6.656  1   20.108 ? 127 THR   B C    1 ? 1 
ATOM   1665 O O    . THR   A 1 115 ? -7.683  -1.861  -7.05   1   20.917 ? 127 THR   B O    1 ? 1 
ATOM   1666 C CB   . THR   A 1 115 ? -7.155  -4.395  -5.392  1   20.787 ? 127 THR   B CB   1 ? 1 
ATOM   1667 O OG1  . THR   A 1 115 ? -7.043  -5.802  -5.262  1   18.293 ? 127 THR   B OG1  1 ? 1 
ATOM   1668 C CG2  . THR   A 1 115 ? -7.86   -4.031  -4.076  1   20.893 ? 127 THR   B CG2  1 ? 1 
ATOM   1669 H H    . THR   A 1 115 ? -6.466  -4.39   -7.814  1   20.671 ? 127 THR   B H    1 c 1 
ATOM   1670 H HA   . THR   A 1 115 ? -8.879  -4.738  -6.484  1   18.531 ? 127 THR   B HA   1 c 1 
ATOM   1671 H HB   . THR   A 1 115 ? -6.27   -3.97   -5.498  1   21.003 ? 127 THR   B HB   1 c 1 
ATOM   1672 H HG1  . THR   A 1 115 ? -7.811  -6.166  -5.15   0   30     ? 127 THR   B HG1  1 c 1 
ATOM   1673 H HG21 . THR   A 1 115 ? -7.305  -4.303  -3.326  1   20.755 ? 127 THR   B HG21 1 c 1 
ATOM   1674 H HG22 . THR   A 1 115 ? -8.714  -4.49   -4.027  1   19.875 ? 127 THR   B HG22 1 c 1 
ATOM   1675 H HG23 . THR   A 1 115 ? -8.006  -3.071  -4.036  1   20.808 ? 127 THR   B HG23 1 c 1 
ATOM   1676 N N    . LEU   A 1 116 ? -9.761  -2.395  -6.304  1   17.004 ? 128 LEU   B N    1 ? 1 
ATOM   1677 C CA   . LEU   A 1 116 ? -10.407 -1.106  -6.436  1   17.336 ? 128 LEU   B CA   1 ? 1 
ATOM   1678 C C    . LEU   A 1 116 ? -10.788 -0.557  -5.058  1   17.639 ? 128 LEU   B C    1 ? 1 
ATOM   1679 O O    . LEU   A 1 116 ? -11.139 -1.347  -4.182  1   17.335 ? 128 LEU   B O    1 ? 1 
ATOM   1680 C CB   . LEU   A 1 116 ? -11.668 -1.09   -7.314  1   18.772 ? 128 LEU   B CB   1 ? 1 
ATOM   1681 C CG   . LEU   A 1 116 ? -11.664 -1.737  -8.695  1   26.31  ? 128 LEU   B CG   1 ? 1 
ATOM   1682 C CD1  . LEU   A 1 116 ? -12.933 -1.24   -9.433  1   26.01  ? 128 LEU   B CD1  1 ? 1 
ATOM   1683 C CD2  . LEU   A 1 116 ? -10.478 -1.395  -9.416  1   25.744 ? 128 LEU   B CD2  1 ? 1 
ATOM   1684 H H    . LEU   A 1 116 ? -10.259 -3.072  -5.943  1   16.829 ? 128 LEU   B H    1 c 1 
ATOM   1685 H HA   . LEU   A 1 116 ? -9.747  -0.483  -6.833  1   18.723 ? 128 LEU   B HA   1 c 1 
ATOM   1686 H HB2  . LEU   A 1 116 ? -12.395 -1.504  -6.794  1   18.958 ? 128 LEU   B HB2  1 c 1 
ATOM   1687 H HB3  . LEU   A 1 116 ? -11.936 -0.148  -7.425  1   20.261 ? 128 LEU   B HB3  1 c 1 
ATOM   1688 H HG   . LEU   A 1 116 ? -11.712 -2.722  -8.59   1   23.837 ? 128 LEU   B HG   1 c 1 
ATOM   1689 H HD11 . LEU   A 1 116 ? -13.713 -1.386  -8.872  1   25.348 ? 128 LEU   B HD11 1 c 1 
ATOM   1690 H HD12 . LEU   A 1 116 ? -13.036 -1.731  -10.264 1   26.531 ? 128 LEU   B HD12 1 c 1 
ATOM   1691 H HD13 . LEU   A 1 116 ? -12.847 -0.291  -9.626  1   26.817 ? 128 LEU   B HD13 1 c 1 
ATOM   1692 H HD21 . LEU   A 1 116 ? -9.731  -1.918  -9.081  1   26.066 ? 128 LEU   B HD21 1 c 1 
ATOM   1693 H HD22 . LEU   A 1 116 ? -10.288 -0.449  -9.301  1   26.768 ? 128 LEU   B HD22 1 c 1 
ATOM   1694 H HD23 . LEU   A 1 116 ? -10.606 -1.585  -10.361 1   27.023 ? 128 LEU   B HD23 1 c 1 
ATOM   1695 N N    . PHE   A 1 117 ? -10.72  0.785   -4.936  1   17.882 ? 129 PHE   B N    1 ? 1 
ATOM   1696 C CA   . PHE   A 1 117 ? -11.164 1.504   -3.745  1   17.505 ? 129 PHE   B CA   1 ? 1 
ATOM   1697 C C    . PHE   A 1 117 ? -12.276 2.489   -4.125  1   18.625 ? 129 PHE   B C    1 ? 1 
ATOM   1698 O O    . PHE   A 1 117 ? -12.134 3.231   -5.093  1   19.168 ? 129 PHE   B O    1 ? 1 
ATOM   1699 C CB   . PHE   A 1 117 ? -9.984  2.213   -3.13   1   18.628 ? 129 PHE   B CB   1 ? 1 
ATOM   1700 C CG   . PHE   A 1 117 ? -10.367 3.176   -1.998  1   19.006 ? 129 PHE   B CG   1 ? 1 
ATOM   1701 C CD1  . PHE   A 1 117 ? -10.794 4.467   -2.296  1   23.253 ? 129 PHE   B CD1  1 ? 1 
ATOM   1702 C CD2  . PHE   A 1 117 ? -10.49  2.703   -0.705  1   20.924 ? 129 PHE   B CD2  1 ? 1 
ATOM   1703 C CE1  . PHE   A 1 117 ? -11.268 5.308   -1.259  1   23.45  ? 129 PHE   B CE1  1 ? 1 
ATOM   1704 C CE2  . PHE   A 1 117 ? -10.903 3.556   0.317   1   22.919 ? 129 PHE   B CE2  1 ? 1 
ATOM   1705 C CZ   . PHE   A 1 117 ? -11.285 4.862   0.031   1   22.17  ? 129 PHE   B CZ   1 ? 1 
ATOM   1706 H H    . PHE   A 1 117 ? -10.38  1.272   -5.631  1   18.79  ? 129 PHE   B H    1 c 1 
ATOM   1707 H HA   . PHE   A 1 117 ? -11.521 0.85    -3.091  1   16.959 ? 129 PHE   B HA   1 c 1 
ATOM   1708 H HB2  . PHE   A 1 117 ? -9.362  1.539   -2.778  1   18.416 ? 129 PHE   B HB2  1 c 1 
ATOM   1709 H HB3  . PHE   A 1 117 ? -9.52   2.718   -3.835  1   19.504 ? 129 PHE   B HB3  1 c 1 
ATOM   1710 H HD1  . PHE   A 1 117 ? -10.775 4.777   -3.188  1   22.833 ? 129 PHE   B HD1  1 c 1 
ATOM   1711 H HD2  . PHE   A 1 117 ? -10.216 1.823   -0.501  1   20.117 ? 129 PHE   B HD2  1 c 1 
ATOM   1712 H HE1  . PHE   A 1 117 ? -11.502 6.2     -1.45   1   24.129 ? 129 PHE   B HE1  1 c 1 
ATOM   1713 H HE2  . PHE   A 1 117 ? -10.936 3.241   1.206   1   22.055 ? 129 PHE   B HE2  1 c 1 
ATOM   1714 H HZ   . PHE   A 1 117 ? -11.578 5.432   0.725   1   23.271 ? 129 PHE   B HZ   1 c 1 
ATOM   1715 N N    . PHE   A 1 118 ? -13.32  2.616   -3.296  1   17.065 ? 130 PHE   B N    1 ? 1 
ATOM   1716 C CA   . PHE   A 1 118 ? -14.306 3.679   -3.503  1   18.291 ? 130 PHE   B CA   1 ? 1 
ATOM   1717 C C    . PHE   A 1 118 ? -14.723 4.346   -2.211  1   20.89  ? 130 PHE   B C    1 ? 1 
ATOM   1718 O O    . PHE   A 1 118 ? -14.804 3.687   -1.184  1   18.628 ? 130 PHE   B O    1 ? 1 
ATOM   1719 C CB   . PHE   A 1 118 ? -15.603 3.169   -4.144  1   19.792 ? 130 PHE   B CB   1 ? 1 
ATOM   1720 C CG   . PHE   A 1 118 ? -15.526 2.585   -5.545  1   16.541 ? 130 PHE   B CG   1 ? 1 
ATOM   1721 C CD1  . PHE   A 1 118 ? -15.116 1.245   -5.744  1   17.913 ? 130 PHE   B CD1  1 ? 1 
ATOM   1722 C CD2  . PHE   A 1 118 ? -15.826 3.382   -6.668  1   19.168 ? 130 PHE   B CD2  1 ? 1 
ATOM   1723 C CE1  . PHE   A 1 118 ? -15.04  0.74    -7.018  1   18.03  ? 130 PHE   B CE1  1 ? 1 
ATOM   1724 C CE2  . PHE   A 1 118 ? -15.779 2.841   -7.932  1   19.963 ? 130 PHE   B CE2  1 ? 1 
ATOM   1725 C CZ   . PHE   A 1 118 ? -15.394 1.533   -8.106  1   19.719 ? 130 PHE   B CZ   1 ? 1 
ATOM   1726 H H    . PHE   A 1 118 ? -13.423 2.039   -2.595  1   16.846 ? 130 PHE   B H    1 c 1 
ATOM   1727 H HA   . PHE   A 1 118 ? -13.91  4.366   -4.099  1   19.821 ? 130 PHE   B HA   1 c 1 
ATOM   1728 H HB2  . PHE   A 1 118 ? -15.983 2.485   -3.549  1   17.806 ? 130 PHE   B HB2  1 c 1 
ATOM   1729 H HB3  . PHE   A 1 118 ? -16.244 3.914   -4.16   1   19.098 ? 130 PHE   B HB3  1 c 1 
ATOM   1730 H HD1  . PHE   A 1 118 ? -14.895 0.704   -5.003  1   16.715 ? 130 PHE   B HD1  1 c 1 
ATOM   1731 H HD2  . PHE   A 1 118 ? -16.114 4.272   -6.546  1   19.633 ? 130 PHE   B HD2  1 c 1 
ATOM   1732 H HE1  . PHE   A 1 118 ? -14.785 -0.159  -7.153  1   17.827 ? 130 PHE   B HE1  1 c 1 
ATOM   1733 H HE2  . PHE   A 1 118 ? -15.992 3.375   -8.681  1   21.049 ? 130 PHE   B HE2  1 c 1 
ATOM   1734 H HZ   . PHE   A 1 118 ? -15.334 1.178   -8.979  1   19.968 ? 130 PHE   B HZ   1 c 1 
ATOM   1735 N N    . GLU   A 1 119 ? -15.001 5.656   -2.283  1   19.912 ? 131 GLU   B N    1 ? 1 
ATOM   1736 C CA   . GLU   A 1 119 ? -15.844 6.303   -1.31   1   20.987 ? 131 GLU   B CA   1 ? 1 
ATOM   1737 C C    . GLU   A 1 119 ? -17.186 6.548   -1.988  1   23.772 ? 131 GLU   B C    1 ? 1 
ATOM   1738 O O    . GLU   A 1 119 ? -17.206 7.175   -3.089  1   25.041 ? 131 GLU   B O    1 ? 1 
ATOM   1739 C CB   . GLU   A 1 119 ? -15.117 7.494   -0.755  1   24.449 ? 131 GLU   B CB   1 ? 1 
ATOM   1740 C CG   . GLU   A 1 119 ? -15.907 8.448   0.14    1   25.917 ? 131 GLU   B CG   1 ? 1 
ATOM   1741 C CD   . GLU   A 1 119 ? -15.102 9.552   0.725   1   27.132 ? 131 GLU   B CD   1 ? 1 
ATOM   1742 O OE1  . GLU   A 1 119 ? -14.235 9.45    1.592   1   30.609 ? 131 GLU   B OE1  1 ? 1 
ATOM   1743 O OE2  . GLU   A 1 119 ? -15.328 10.688  0.165   1   28.811 ? 131 GLU   B OE2  1 ? 1 
ATOM   1744 H H    . GLU   A 1 119 ? -14.649 6.155   -2.963  1   21.263 ? 131 GLU   B H    1 c 1 
ATOM   1745 H HA   . GLU   A 1 119 ? -15.986 5.673   -0.562  1   21.039 ? 131 GLU   B HA   1 c 1 
ATOM   1746 H HB2  . GLU   A 1 119 ? -14.347 7.173   -0.241  1   23.825 ? 131 GLU   B HB2  1 c 1 
ATOM   1747 H HB3  . GLU   A 1 119 ? -14.769 8.018   -1.506  1   24.73  ? 131 GLU   B HB3  1 c 1 
ATOM   1748 H HG2  . GLU   A 1 119 ? -16.641 8.839   -0.381  1   26.114 ? 131 GLU   B HG2  1 c 1 
ATOM   1749 H HG3  . GLU   A 1 119 ? -16.309 7.935   0.874   1   25.182 ? 131 GLU   B HG3  1 c 1 
ATOM   1750 N N    . ILE   A 1 120 ? -18.263 6.132   -1.291  1   23.557 ? 132 ILE   B N    1 ? 1 
ATOM   1751 C CA   . ILE   A 1 120 ? -19.612 6.229   -1.789  1   23.357 ? 132 ILE   B CA   1 ? 1 
ATOM   1752 C C    . ILE   A 1 120 ? -20.505 6.91    -0.754  1   24.781 ? 132 ILE   B C    1 ? 1 
ATOM   1753 O O    . ILE   A 1 120 ? -20.429 6.6     0.428   1   22.644 ? 132 ILE   B O    1 ? 1 
ATOM   1754 C CB   . ILE   A 1 120 ? -20.191 4.837   -2.122  1   22.465 ? 132 ILE   B CB   1 ? 1 
ATOM   1755 C CG1  . ILE   A 1 120 ? -19.284 4.074   -3.078  1   21.945 ? 132 ILE   B CG1  1 ? 1 
ATOM   1756 C CG2  . ILE   A 1 120 ? -21.594 5.025   -2.691  1   23.018 ? 132 ILE   B CG2  1 ? 1 
ATOM   1757 C CD1  . ILE   A 1 120 ? -19.61  2.594   -3.17   1   22.453 ? 132 ILE   B CD1  1 ? 1 
ATOM   1758 H H    . ILE   A 1 120 ? -18.136 5.773   -0.46   1   22.98  ? 132 ILE   B H    1 c 1 
ATOM   1759 H HA   . ILE   A 1 120 ? -19.606 6.766   -2.604  1   24.214 ? 132 ILE   B HA   1 c 1 
ATOM   1760 H HB   . ILE   A 1 120 ? -20.259 4.327   -1.291  1   21.992 ? 132 ILE   B HB   1 c 1 
ATOM   1761 H HG12 . ILE   A 1 120 ? -19.36  4.47    -3.97   1   22.795 ? 132 ILE   B HG12 1 c 1 
ATOM   1762 H HG13 . ILE   A 1 120 ? -18.356 4.171   -2.784  1   21.981 ? 132 ILE   B HG13 1 c 1 
ATOM   1763 H HG21 . ILE   A 1 120 ? -21.856 4.23    -3.184  1   22.756 ? 132 ILE   B HG21 1 c 1 
ATOM   1764 H HG22 . ILE   A 1 120 ? -21.605 5.792   -3.288  1   23.929 ? 132 ILE   B HG22 1 c 1 
ATOM   1765 H HG23 . ILE   A 1 120 ? -22.224 5.173   -1.965  1   23.495 ? 132 ILE   B HG23 1 c 1 
ATOM   1766 H HD11 . ILE   A 1 120 ? -19.69  2.221   -2.272  1   21.655 ? 132 ILE   B HD11 1 c 1 
ATOM   1767 H HD12 . ILE   A 1 120 ? -18.896 2.132   -3.65   1   21.593 ? 132 ILE   B HD12 1 c 1 
ATOM   1768 H HD13 . ILE   A 1 120 ? -20.452 2.471   -3.648  1   22.389 ? 132 ILE   B HD13 1 c 1 
ATOM   1769 N N    . GLU   A 1 121 ? -21.283 7.891   -1.248  1   23.277 ? 133 GLU   B N    1 ? 1 
ATOM   1770 C CA   . GLU   A 1 121 ? -22.321 8.531   -0.479  1   23.821 ? 133 GLU   B CA   1 ? 1 
ATOM   1771 C C    . GLU   A 1 121 ? -23.653 8.08    -1.052  1   22.975 ? 133 GLU   B C    1 ? 1 
ATOM   1772 O O    . GLU   A 1 121 ? -23.974 8.4     -2.218  1   28.432 ? 133 GLU   B O    1 ? 1 
ATOM   1773 C CB   . GLU   A 1 121 ? -22.228 10.048  -0.446  1   24.335 ? 133 GLU   B CB   1 ? 1 
ATOM   1774 C CG   . GLU   A 1 121 ? -23.348 10.713  0.325   1   27.604 ? 133 GLU   B CG   1 ? 1 
ATOM   1775 C CD   . GLU   A 1 121 ? -23.319 12.238  0.411   1   29.753 ? 133 GLU   B CD   1 ? 1 
ATOM   1776 O OE1  . GLU   A 1 121 ? -22.317 12.851  -0.014  1   29.878 ? 133 GLU   B OE1  1 ? 1 
ATOM   1777 O OE2  . GLU   A 1 121 ? -24.189 12.805  0.995   1   29.809 ? 133 GLU   B OE2  1 ? 1 
ATOM   1778 H H    . GLU   A 1 121 ? -21.15  8.169   -2.109  1   24.107 ? 133 GLU   B H    1 c 1 
ATOM   1779 H HA   . GLU   A 1 121 ? -22.255 8.209   0.453   1   23.233 ? 133 GLU   B HA   1 c 1 
ATOM   1780 H HB2  . GLU   A 1 121 ? -21.37  10.304  -0.05   1   24.974 ? 133 GLU   B HB2  1 c 1 
ATOM   1781 H HB3  . GLU   A 1 121 ? -22.241 10.382  -1.367  1   25.464 ? 133 GLU   B HB3  1 c 1 
ATOM   1782 H HG2  . GLU   A 1 121 ? -24.202 10.453  -0.079  1   27.375 ? 133 GLU   B HG2  1 c 1 
ATOM   1783 H HG3  . GLU   A 1 121 ? -23.348 10.359  1.239   1   26.886 ? 133 GLU   B HG3  1 c 1 
ATOM   1784 N N    . LEU   A 1 122 ? -24.477 7.455   -0.211  1   25.718 ? 134 LEU   B N    1 ? 1 
ATOM   1785 C CA   . LEU   A 1 122 ? -25.823 7.062   -0.657  1   26.552 ? 134 LEU   B CA   1 ? 1 
ATOM   1786 C C    . LEU   A 1 122 ? -26.754 8.258   -0.489  1   28.563 ? 134 LEU   B C    1 ? 1 
ATOM   1787 O O    . LEU   A 1 122 ? -26.995 8.651   0.644   1   29.038 ? 134 LEU   B O    1 ? 1 
ATOM   1788 C CB   . LEU   A 1 122 ? -26.365 5.845   0.115   1   25.642 ? 134 LEU   B CB   1 ? 1 
ATOM   1789 C CG   . LEU   A 1 122 ? -27.77  5.37    -0.306  1   26.471 ? 134 LEU   B CG   1 ? 1 
ATOM   1790 C CD1  . LEU   A 1 122 ? -27.846 5.146   -1.842  1   25.109 ? 134 LEU   B CD1  1 ? 1 
ATOM   1791 C CD2  . LEU   A 1 122 ? -28.029 4.108   0.471   1   25.795 ? 134 LEU   B CD2  1 ? 1 
ATOM   1792 H H    . LEU   A 1 122 ? -24.215 7.267   0.643   1   24.721 ? 134 LEU   B H    1 c 1 
ATOM   1793 H HA   . LEU   A 1 122 ? -25.775 6.835   -1.62   1   26.188 ? 134 LEU   B HA   1 c 1 
ATOM   1794 H HB2  . LEU   A 1 122 ? -25.734 5.098   -0.006  1   24.474 ? 134 LEU   B HB2  1 c 1 
ATOM   1795 H HB3  . LEU   A 1 122 ? -26.386 6.072   1.073   1   26.056 ? 134 LEU   B HB3  1 c 1 
ATOM   1796 H HG   . LEU   A 1 122 ? -28.436 6.057   -0.041  1   27.562 ? 134 LEU   B HG   1 c 1 
ATOM   1797 H HD11 . LEU   A 1 122 ? -27.907 6.004   -2.294  1   26.259 ? 134 LEU   B HD11 1 c 1 
ATOM   1798 H HD12 . LEU   A 1 122 ? -28.631 4.614   -2.052  1   26.118 ? 134 LEU   B HD12 1 c 1 
ATOM   1799 H HD13 . LEU   A 1 122 ? -27.048 4.679   -2.142  1   24.275 ? 134 LEU   B HD13 1 c 1 
ATOM   1800 H HD21 . LEU   A 1 122 ? -27.8   4.246   1.404   1   25.911 ? 134 LEU   B HD21 1 c 1 
ATOM   1801 H HD22 . LEU   A 1 122 ? -27.487 3.387   0.109   1   24.759 ? 134 LEU   B HD22 1 c 1 
ATOM   1802 H HD23 . LEU   A 1 122 ? -28.969 3.871   0.401   1   26.915 ? 134 LEU   B HD23 1 c 1 
ATOM   1803 N N    . LEU   A 1 123 ? -27.23  8.864   -1.591  1   29.679 ? 135 LEU   B N    1 ? 1 
ATOM   1804 C CA   . LEU   A 1 123 ? -28.038 10.089  -1.476  1   33.26  ? 135 LEU   B CA   1 ? 1 
ATOM   1805 C C    . LEU   A 1 123 ? -29.506 9.726   -1.327  1   34.698 ? 135 LEU   B C    1 ? 1 
ATOM   1806 O O    . LEU   A 1 123 ? -30.251 10.352  -0.586  1   36.353 ? 135 LEU   B O    1 ? 1 
ATOM   1807 C CB   . LEU   A 1 123 ? -27.876 10.872  -2.762  1   36.081 ? 135 LEU   B CB   1 ? 1 
ATOM   1808 C CG   . LEU   A 1 123 ? -26.429 11.207  -3.121  1   35.064 ? 135 LEU   B CG   1 ? 1 
ATOM   1809 C CD1  . LEU   A 1 123 ? -26.328 11.716  -4.508  1   38.096 ? 135 LEU   B CD1  1 ? 1 
ATOM   1810 C CD2  . LEU   A 1 123 ? -25.966 12.237  -2.143  1   39.156 ? 135 LEU   B CD2  1 ? 1 
ATOM   1811 H H    . LEU   A 1 123 ? -27.06  8.515   -2.418  1   29.607 ? 135 LEU   B H    1 c 1 
ATOM   1812 H HA   . LEU   A 1 123 ? -27.733 10.625  -0.701  1   33.621 ? 135 LEU   B HA   1 c 1 
ATOM   1813 H HB2  . LEU   A 1 123 ? -28.267 10.346  -3.497  1   35.593 ? 135 LEU   B HB2  1 c 1 
ATOM   1814 H HB3  . LEU   A 1 123 ? -28.385 11.711  -2.682  1   37.258 ? 135 LEU   B HB3  1 c 1 
ATOM   1815 H HG   . LEU   A 1 123 ? -25.872 10.393  -3.03   1   34.403 ? 135 LEU   B HG   1 c 1 
ATOM   1816 H HD11 . LEU   A 1 123 ? -26.791 11.111  -5.112  1   37.385 ? 135 LEU   B HD11 1 c 1 
ATOM   1817 H HD12 . LEU   A 1 123 ? -25.393 11.775  -4.765  1   36.909 ? 135 LEU   B HD12 1 c 1 
ATOM   1818 H HD13 . LEU   A 1 123 ? -26.734 12.598  -4.562  1   39.14  ? 135 LEU   B HD13 1 c 1 
ATOM   1819 H HD21 . LEU   A 1 123 ? -25.841 11.826  -1.271  1   37.227 ? 135 LEU   B HD21 1 c 1 
ATOM   1820 H HD22 . LEU   A 1 123 ? -26.63  12.942  -2.076  1   39.614 ? 135 LEU   B HD22 1 c 1 
ATOM   1821 H HD23 . LEU   A 1 123 ? -25.123 12.615  -2.444  1   37.989 ? 135 LEU   B HD23 1 c 1 
ATOM   1822 N N    . ASP   A 1 124 ? -29.948 8.71    -2.096  1   34.597 ? 136 ASP   B N    1 ? 1 
ATOM   1823 C CA   . ASP   A 1 124 ? -31.358 8.341   -2.095  1   35.425 ? 136 ASP   B CA   1 ? 1 
ATOM   1824 C C    . ASP   A 1 124 ? -31.53  7.01    -2.837  1   32.65  ? 136 ASP   B C    1 ? 1 
ATOM   1825 O O    . ASP   A 1 124 ? -30.627 6.577   -3.56   1   30.375 ? 136 ASP   B O    1 ? 1 
ATOM   1826 C CB   . ASP   A 1 124 ? -32.222 9.438   -2.711  1   38.981 ? 136 ASP   B CB   1 ? 1 
ATOM   1827 C CG   . ASP   A 1 124 ? -33.677 9.44    -2.281  1   43.284 ? 136 ASP   B CG   1 ? 1 
ATOM   1828 O OD1  . ASP   A 1 124 ? -34.047 8.603   -1.443  1   41.167 ? 136 ASP   B OD1  1 ? 1 
ATOM   1829 O OD2  . ASP   A 1 124 ? -34.435 10.331  -2.751  1   44.467 ? 136 ASP   B OD2  1 ? 1 
ATOM   1830 H H    . ASP   A 1 124 ? -29.367 8.251   -2.632  1   33.188 ? 136 ASP   B H    1 c 1 
ATOM   1831 H HA   . ASP   A 1 124 ? -31.639 8.214   -1.161  1   35.604 ? 136 ASP   B HA   1 c 1 
ATOM   1832 H HB2  . ASP   A 1 124 ? -31.846 10.316  -2.497  1   39.499 ? 136 ASP   B HB2  1 c 1 
ATOM   1833 H HB3  . ASP   A 1 124 ? -32.199 9.338   -3.686  1   39.286 ? 136 ASP   B HB3  1 c 1 
ATOM   1834 N N    . PHE   A 1 125 ? -32.668 6.343   -2.603  1   34.017 ? 137 PHE   B N    1 ? 1 
ATOM   1835 C CA   . PHE   A 1 125 ? -33.058 5.186   -3.402  1   34.838 ? 137 PHE   B CA   1 ? 1 
ATOM   1836 C C    . PHE   A 1 125 ? -34.579 5.071   -3.419  1   37.122 ? 137 PHE   B C    1 ? 1 
ATOM   1837 O O    . PHE   A 1 125 ? -35.238 5.58    -2.523  1   37.59  ? 137 PHE   B O    1 ? 1 
ATOM   1838 C CB   . PHE   A 1 125 ? -32.342 3.97    -2.824  1   31.924 ? 137 PHE   B CB   1 ? 1 
ATOM   1839 C CG   . PHE   A 1 125 ? -32.619 3.616   -1.37   1   34.012 ? 137 PHE   B CG   1 ? 1 
ATOM   1840 C CD1  . PHE   A 1 125 ? -31.869 4.164   -0.345  1   34.624 ? 137 PHE   B CD1  1 ? 1 
ATOM   1841 C CD2  . PHE   A 1 125 ? -33.568 2.687   -1.029  1   39.382 ? 137 PHE   B CD2  1 ? 1 
ATOM   1842 C CE1  . PHE   A 1 125 ? -32.091 3.825   0.972   1   35.646 ? 137 PHE   B CE1  1 ? 1 
ATOM   1843 C CE2  . PHE   A 1 125 ? -33.806 2.376   0.309   1   42.752 ? 137 PHE   B CE2  1 ? 1 
ATOM   1844 C CZ   . PHE   A 1 125 ? -33.073 2.934   1.295   1   38.245 ? 137 PHE   B CZ   1 ? 1 
ATOM   1845 H H    . PHE   A 1 125 ? -33.216 6.614   -1.923  1   35.223 ? 137 PHE   B H    1 c 1 
ATOM   1846 H HA   . PHE   A 1 125 ? -32.741 5.328   -4.33   1   34.295 ? 137 PHE   B HA   1 c 1 
ATOM   1847 H HB2  . PHE   A 1 125 ? -32.574 3.192   -3.379  1   32.666 ? 137 PHE   B HB2  1 c 1 
ATOM   1848 H HB3  . PHE   A 1 125 ? -31.375 4.111   -2.927  1   31.075 ? 137 PHE   B HB3  1 c 1 
ATOM   1849 H HD1  . PHE   A 1 125 ? -31.192 4.788   -0.554  1   33.699 ? 137 PHE   B HD1  1 c 1 
ATOM   1850 H HD2  . PHE   A 1 125 ? -34.1   2.296   -1.703  1   39.7   ? 137 PHE   B HD2  1 c 1 
ATOM   1851 H HE1  . PHE   A 1 125 ? -31.58  4.231   1.654   1   35.38  ? 137 PHE   B HE1  1 c 1 
ATOM   1852 H HE2  . PHE   A 1 125 ? -34.476 1.748   0.526   1   42.173 ? 137 PHE   B HE2  1 c 1 
ATOM   1853 H HZ   . PHE   A 1 125 ? -33.23  2.703   2.197   1   39.213 ? 137 PHE   B HZ   1 c 1 
ATOM   1854 N N    . LYS   A 1 126 ? -35.136 4.479   -4.476  1   37.72  ? 138 LYS   B N    1 ? 1 
ATOM   1855 C CA   . LYS   A 1 126 ? -36.576 4.424   -4.655  1   41.808 ? 138 LYS   B CA   1 ? 1 
ATOM   1856 C C    . LYS   A 1 126 ? -36.922 3.074   -5.272  1   41.639 ? 138 LYS   B C    1 ? 1 
ATOM   1857 O O    . LYS   A 1 126 ? -36.194 2.574   -6.117  1   39.739 ? 138 LYS   B O    1 ? 1 
ATOM   1858 C CB   . LYS   A 1 126 ? -37.134 5.602   -5.461  1   41.902 ? 138 LYS   B CB   1 ? 1 
ATOM   1859 H H    . LYS   A 1 126 ? -34.598 4.097   -5.109  1   37.116 ? 138 LYS   B H    1 c 1 
ATOM   1860 H HA   . LYS   A 1 126 ? -36.996 4.459   -3.758  1   41.673 ? 138 LYS   B HA   1 c 1 
ATOM   1861 H HB2  . LYS   A 1 126 ? -36.368 6.1     -5.866  0   30     ? 138 LYS   B HB2  1 c 1 
ATOM   1862 H HB3  . LYS   A 1 126 ? -38.106 5.569   -5.479  0   30     ? 138 LYS   B HB3  1 c 1 
ATOM   1863 N N    . GLY   A 1 127 ? -38.118 2.547   -4.964  1   45.728 ? 139 GLY   B N    1 ? 1 
ATOM   1864 C CA   . GLY   A 1 127 ? -38.525 1.258   -5.485  1   49.485 ? 139 GLY   B CA   1 ? 1 
ATOM   1865 C C    . GLY   A 1 127 ? -38.974 1.372   -6.943  1   53.99  ? 139 GLY   B C    1 ? 1 
ATOM   1866 O O    . GLY   A 1 127 ? -39.552 2.387   -7.293  1   58.437 ? 139 GLY   B O    1 ? 1 
ATOM   1867 H H    . GLY   A 1 127 ? -38.689 3.006   -4.418  1   47.112 ? 139 GLY   B H    1 c 1 
ATOM   1868 H HA2  . GLY   A 1 127 ? -37.771 0.627   -5.417  1   47.383 ? 139 GLY   B HA2  1 c 1 
ATOM   1869 H HA3  . GLY   A 1 127 ? -39.266 0.908   -4.938  1   50.752 ? 139 GLY   B HA3  1 c 1 
ATOM   1870 N N    . GLU   A 1 128 ? -38.581 0.396   -7.78   1   58.657 ? 140 GLU   B N    1 ? 1 
ATOM   1871 C CA   . GLU   A 1 128 ? -38.959 0.306   -9.187  1   64.82  ? 140 GLU   B CA   1 ? 1 
ATOM   1872 C C    . GLU   A 1 128 ? -40.477 0.574   -9.378  1   71.879 ? 140 GLU   B C    1 ? 1 
ATOM   1873 O O    . GLU   A 1 128 ? -41.039 -0.013  -10.315 1   76.817 ? 140 GLU   B O    1 ? 1 
ATOM   1874 C CB   . GLU   A 1 128 ? -38.561 -1.066  -9.759  1   64.436 ? 140 GLU   B CB   1 ? 1 
ATOM   1875 O OXT  . GLU   A 1 128 ? -41.064 1.401   -8.63   1   78.166 ? 140 GLU   B OXT  1 ? 1 
ATOM   1876 H H    . GLU   A 1 128 ? -38.037 -0.256  -7.444  1   56.466 ? 140 GLU   B H    1 c 1 
ATOM   1877 H HA   . GLU   A 1 128 ? -38.458 1.003   -9.682  1   63.867 ? 140 GLU   B HA   1 c 1 
ATOM   1878 H HB2  . GLU   A 1 128 ? -37.352 -0.77   -9.823  0   30     ? 140 GLU   B HB2  1 c 1 
ATOM   1879 H HB3  . GLU   A 1 128 ? -39.052 -1.437  -10.16  0   30     ? 140 GLU   B HB3  1 c 1 
ATOM   1880 N N    . GLY   B 1 1   ? 4.656   -19.795 -39.142 1   49.821 ? 13  GLY   A N    1 ? 2 
ATOM   1881 C CA   . GLY   B 1 1   ? 3.67    -20.337 -38.212 1   49.008 ? 13  GLY   A CA   1 ? 2 
ATOM   1882 C C    . GLY   B 1 1   ? 2.319   -19.635 -38.391 1   45.091 ? 13  GLY   A C    1 ? 2 
ATOM   1883 O O    . GLY   B 1 1   ? 2.142   -18.642 -39.122 1   47.358 ? 13  GLY   A O    1 ? 2 
ATOM   1884 H H1   . GLY   B 1 1   ? 5.449   -20.217 -39.032 1   51.44  ? 13  GLY   A H1   1 c 2 
ATOM   1885 H H2   . GLY   B 1 1   ? 4.771   -18.91  -38.992 1   49.298 ? 13  GLY   A H2   1 c 2 
ATOM   1886 H H3   . GLY   B 1 1   ? 4.377   -19.915 -39.995 1   51.737 ? 13  GLY   A H3   1 c 2 
ATOM   1887 H HA2  . GLY   B 1 1   ? 3.562   -21.296 -38.377 1   49.444 ? 13  GLY   A HA2  1 c 2 
ATOM   1888 H HA3  . GLY   B 1 1   ? 3.989   -20.221 -37.289 1   46.984 ? 13  GLY   A HA3  1 c 2 
ATOM   1889 N N    . ALA   B 1 2   ? 1.334   -20.186 -37.711 1   45.717 ? 14  ALA   A N    1 ? 2 
ATOM   1890 C CA   . ALA   B 1 2   ? -0.001  -19.624 -37.744 1   42.079 ? 14  ALA   A CA   1 ? 2 
ATOM   1891 C C    . ALA   B 1 2   ? 0.043   -18.137 -37.375 1   40.279 ? 14  ALA   A C    1 ? 2 
ATOM   1892 O O    . ALA   B 1 2   ? -0.594  -17.329 -38.064 1   41.083 ? 14  ALA   A O    1 ? 2 
ATOM   1893 C CB   . ALA   B 1 2   ? -0.91   -20.411 -36.838 1   42.639 ? 14  ALA   A CB   1 ? 2 
ATOM   1894 H H    . ALA   B 1 2   ? 1.49    -20.935 -37.212 1   44.866 ? 14  ALA   A H    1 c 2 
ATOM   1895 H HA   . ALA   B 1 2   ? -0.34   -19.697 -38.678 1   44.245 ? 14  ALA   A HA   1 c 2 
ATOM   1896 H HB1  . ALA   B 1 2   ? -1.148  -21.251 -37.265 1   43.528 ? 14  ALA   A HB1  1 c 2 
ATOM   1897 H HB2  . ALA   B 1 2   ? -0.46   -20.596 -35.998 1   41.313 ? 14  ALA   A HB2  1 c 2 
ATOM   1898 H HB3  . ALA   B 1 2   ? -1.719  -19.9   -36.663 1   40.65  ? 14  ALA   A HB3  1 c 2 
ATOM   1899 N N    . PRO   B 1 3   ? 0.727   -17.697 -36.303 1   37.86  ? 15  PRO   A N    1 ? 2 
ATOM   1900 C CA   . PRO   B 1 3   ? 0.725   -16.281 -35.989 1   37.196 ? 15  PRO   A CA   1 ? 2 
ATOM   1901 C C    . PRO   B 1 3   ? 1.315   -15.402 -37.087 1   40.459 ? 15  PRO   A C    1 ? 2 
ATOM   1902 O O    . PRO   B 1 3   ? 0.723   -14.367 -37.396 1   37.962 ? 15  PRO   A O    1 ? 2 
ATOM   1903 C CB   . PRO   B 1 3   ? 1.442   -16.226 -34.665 1   36.996 ? 15  PRO   A CB   1 ? 2 
ATOM   1904 C CG   . PRO   B 1 3   ? 1.313   -17.64  -34.074 1   39.477 ? 15  PRO   A CG   1 ? 2 
ATOM   1905 C CD   . PRO   B 1 3   ? 1.403   -18.495 -35.26  1   40.275 ? 15  PRO   A CD   1 ? 2 
ATOM   1906 H HA   . PRO   B 1 3   ? -0.202  -16.001 -35.837 1   36.349 ? 15  PRO   A HA   1 c 2 
ATOM   1907 H HB2  . PRO   B 1 3   ? 2.382   -15.988 -34.789 1   38.164 ? 15  PRO   A HB2  1 c 2 
ATOM   1908 H HB3  . PRO   B 1 3   ? 1.03    -15.566 -34.075 1   35.717 ? 15  PRO   A HB3  1 c 2 
ATOM   1909 H HG2  . PRO   B 1 3   ? 2.039   -17.831 -33.448 1   38.561 ? 15  PRO   A HG2  1 c 2 
ATOM   1910 H HG3  . PRO   B 1 3   ? 0.456   -17.759 -33.621 1   37.281 ? 15  PRO   A HG3  1 c 2 
ATOM   1911 H HD2  . PRO   B 1 3   ? 2.332   -18.668 -35.503 1   41.401 ? 15  PRO   A HD2  1 c 2 
ATOM   1912 H HD3  . PRO   B 1 3   ? 0.946   -19.343 -35.116 1   40.14  ? 15  PRO   A HD3  1 c 2 
ATOM   1913 N N    . ALA   B 1 4   ? 2.443   -15.817 -37.696 1   41.057 ? 16  ALA   A N    1 ? 2 
ATOM   1914 C CA   . ALA   B 1 4   ? 3.018   -15.093 -38.827 1   41.731 ? 16  ALA   A CA   1 ? 2 
ATOM   1915 C C    . ALA   B 1 4   ? 2.013   -14.909 -39.951 1   45.535 ? 16  ALA   A C    1 ? 2 
ATOM   1916 O O    . ALA   B 1 4   ? 1.974   -13.858 -40.598 1   51.173 ? 16  ALA   A O    1 ? 2 
ATOM   1917 C CB   . ALA   B 1 4   ? 4.242   -15.819 -39.374 1   45.723 ? 16  ALA   A CB   1 ? 2 
ATOM   1918 H H    . ALA   B 1 4   ? 2.866   -16.569 -37.393 1   41.411 ? 16  ALA   A H    1 c 2 
ATOM   1919 H HA   . ALA   B 1 4   ? 3.292   -14.191 -38.509 1   42.26  ? 16  ALA   A HA   1 c 2 
ATOM   1920 H HB1  . ALA   B 1 4   ? 4.912   -15.903 -38.675 1   44.88  ? 16  ALA   A HB1  1 c 2 
ATOM   1921 H HB2  . ALA   B 1 4   ? 3.986   -16.705 -39.682 1   46.155 ? 16  ALA   A HB2  1 c 2 
ATOM   1922 H HB3  . ALA   B 1 4   ? 4.615   -15.316 -40.117 1   47.084 ? 16  ALA   A HB3  1 c 2 
ATOM   1923 N N    . THR   B 1 5   ? 1.224   -15.942 -40.238 1   45.161 ? 17  THR   A N    1 ? 2 
ATOM   1924 C CA   . THR   B 1 5   ? 0.301   -15.862 -41.349 1   46.662 ? 17  THR   A CA   1 ? 2 
ATOM   1925 C C    . THR   B 1 5   ? -0.738  -14.785 -41.035 1   42.168 ? 17  THR   A C    1 ? 2 
ATOM   1926 O O    . THR   B 1 5   ? -1.143  -14.01  -41.9   1   42.768 ? 17  THR   A O    1 ? 2 
ATOM   1927 C CB   . THR   B 1 5   ? -0.356  -17.213 -41.655 1   48.907 ? 17  THR   A CB   1 ? 2 
ATOM   1928 O OG1  . THR   B 1 5   ? 0.69    -18.069 -42.101 1   52.931 ? 17  THR   A OG1  1 ? 2 
ATOM   1929 C CG2  . THR   B 1 5   ? -1.415  -17.153 -42.75  1   50.853 ? 17  THR   A CG2  1 ? 2 
ATOM   1930 H H    . THR   B 1 5   ? 1.263   -16.707 -39.741 1   44.826 ? 17  THR   A H    1 c 2 
ATOM   1931 H HA   . THR   B 1 5   ? 0.805   -15.582 -42.145 1   48.511 ? 17  THR   A HA   1 c 2 
ATOM   1932 H HB   . THR   B 1 5   ? -0.755  -17.583 -40.832 1   47.217 ? 17  THR   A HB   1 c 2 
ATOM   1933 H HG1  . THR   B 1 5   ? 1.054   -17.733 -42.826 0   30     ? 17  THR   A HG1  1 c 2 
ATOM   1934 H HG21 . THR   B 1 5   ? -1.57   -18.046 -43.1   1   52.073 ? 17  THR   A HG21 1 c 2 
ATOM   1935 H HG22 . THR   B 1 5   ? -1.107  -16.574 -43.467 1   52.243 ? 17  THR   A HG22 1 c 2 
ATOM   1936 H HG23 . THR   B 1 5   ? -2.243  -16.801 -42.382 1   48.979 ? 17  THR   A HG23 1 c 2 
ATOM   1937 N N    . VAL   B 1 6   ? -1.174  -14.735 -39.8   1   36.92  ? 18  VAL   A N    1 ? 2 
ATOM   1938 C CA   . VAL   B 1 6   ? -2.199  -13.775 -39.437 1   35.384 ? 18  VAL   A CA   1 ? 2 
ATOM   1939 C C    . VAL   B 1 6   ? -1.613  -12.373 -39.541 1   38.51  ? 18  VAL   A C    1 ? 2 
ATOM   1940 O O    . VAL   B 1 6   ? -2.292  -11.482 -40.017 1   42.004 ? 18  VAL   A O    1 ? 2 
ATOM   1941 C CB   . VAL   B 1 6   ? -2.804  -14.009 -38.03  1   30.913 ? 18  VAL   A CB   1 ? 2 
ATOM   1942 C CG1  . VAL   B 1 6   ? -3.941  -13.027 -37.781 1   29.283 ? 18  VAL   A CG1  1 ? 2 
ATOM   1943 C CG2  . VAL   B 1 6   ? -3.31   -15.447 -37.894 1   33.02  ? 18  VAL   A CG2  1 ? 2 
ATOM   1944 H H    . VAL   B 1 6   ? -0.838  -15.299 -39.164 1   36.891 ? 18  VAL   A H    1 c 2 
ATOM   1945 H HA   . VAL   B 1 6   ? -2.922  -13.848 -40.088 1   36.294 ? 18  VAL   A HA   1 c 2 
ATOM   1946 H HB   . VAL   B 1 6   ? -2.092  -13.854 -37.365 1   30.839 ? 18  VAL   A HB   1 c 2 
ATOM   1947 H HG11 . VAL   B 1 6   ? -4.513  -12.985 -38.566 1   30.381 ? 18  VAL   A HG11 1 c 2 
ATOM   1948 H HG12 . VAL   B 1 6   ? -3.575  -12.145 -37.602 1   29.128 ? 18  VAL   A HG12 1 c 2 
ATOM   1949 H HG13 . VAL   B 1 6   ? -4.464  -13.32  -37.016 1   27.972 ? 18  VAL   A HG13 1 c 2 
ATOM   1950 H HG21 . VAL   B 1 6   ? -3.838  -15.531 -37.082 1   30.843 ? 18  VAL   A HG21 1 c 2 
ATOM   1951 H HG22 . VAL   B 1 6   ? -2.557  -16.055 -37.85  1   33.16  ? 18  VAL   A HG22 1 c 2 
ATOM   1952 H HG23 . VAL   B 1 6   ? -3.862  -15.671 -38.662 1   33.514 ? 18  VAL   A HG23 1 c 2 
ATOM   1953 N N    . THR   B 1 7   ? -0.391  -12.138 -39.092 1   40.335 ? 19  THR   A N    1 ? 2 
ATOM   1954 C CA   . THR   B 1 7   ? 0.232   -10.842 -39.341 1   45.098 ? 19  THR   A CA   1 ? 2 
ATOM   1955 C C    . THR   B 1 7   ? 0.113   -10.41  -40.809 1   50.958 ? 19  THR   A C    1 ? 2 
ATOM   1956 O O    . THR   B 1 7   ? -0.309  -9.285  -41.086 1   49.937 ? 19  THR   A O    1 ? 2 
ATOM   1957 C CB   . THR   B 1 7   ? 1.704   -10.837 -38.939 1   48.387 ? 19  THR   A CB   1 ? 2 
ATOM   1958 O OG1  . THR   B 1 7   ? 1.76    -11.006 -37.534 1   41.432 ? 19  THR   A OG1  1 ? 2 
ATOM   1959 C CG2  . THR   B 1 7   ? 2.412   -9.555  -39.34  1   49.172 ? 19  THR   A CG2  1 ? 2 
ATOM   1960 H H    . THR   B 1 7   ? 0.064   -12.776 -38.621 1   40.304 ? 19  THR   A H    1 c 2 
ATOM   1961 H HA   . THR   B 1 7   ? -0.233  -10.177 -38.789 1   43.901 ? 19  THR   A HA   1 c 2 
ATOM   1962 H HB   . THR   B 1 7   ? 2.162   -11.596 -39.373 1   48.081 ? 19  THR   A HB   1 c 2 
ATOM   1963 H HG1  . THR   B 1 7   ? 1.32    -10.387 -37.154 0   30     ? 19  THR   A HG1  1 c 2 
ATOM   1964 H HG21 . THR   B 1 7   ? 3.187   -9.422  -38.769 1   49.257 ? 19  THR   A HG21 1 c 2 
ATOM   1965 H HG22 . THR   B 1 7   ? 1.805   -8.803  -39.241 1   48.799 ? 19  THR   A HG22 1 c 2 
ATOM   1966 H HG23 . THR   B 1 7   ? 2.701   -9.618  -40.266 1   51.602 ? 19  THR   A HG23 1 c 2 
ATOM   1967 N N    . GLU   B 1 8   ? 0.517   -11.256 -41.754 1   48.198 ? 20  GLU   A N    1 ? 2 
ATOM   1968 C CA   . GLU   B 1 8   ? 0.693   -10.792 -43.133 1   52.254 ? 20  GLU   A CA   1 ? 2 
ATOM   1969 C C    . GLU   B 1 8   ? -0.647  -10.864 -43.898 1   51.824 ? 20  GLU   A C    1 ? 2 
ATOM   1970 O O    . GLU   B 1 8   ? -0.813  -10.154 -44.869 1   59.475 ? 20  GLU   A O    1 ? 2 
ATOM   1971 C CB   . GLU   B 1 8   ? 1.984   -11.359 -43.779 1   51.061 ? 20  GLU   A CB   1 ? 2 
ATOM   1972 H H    . GLU   B 1 8   ? 0.685   -12.13  -41.548 1   49.185 ? 20  GLU   A H    1 c 2 
ATOM   1973 H HA   . GLU   B 1 8   ? 0.901   -9.824  -43.073 1   51.356 ? 20  GLU   A HA   1 c 2 
ATOM   1974 H HB2  . GLU   B 1 8   ? 2.659   -11.229 -43.484 0   30     ? 20  GLU   A HB2  1 c 2 
ATOM   1975 H HB3  . GLU   B 1 8   ? 1.443   -12.245 -44.451 0   30     ? 20  GLU   A HB3  1 c 2 
ATOM   1976 N N    . GLN   B 1 9   ? -1.602  -11.72  -43.504 1   50.119 ? 21  GLN   A N    1 ? 2 
ATOM   1977 C CA   . GLN   B 1 9   ? -2.806  -11.991 -44.284 1   52.588 ? 21  GLN   A CA   1 ? 2 
ATOM   1978 C C    . GLN   B 1 9   ? -4.11   -11.708 -43.511 1   46.448 ? 21  GLN   A C    1 ? 2 
ATOM   1979 O O    . GLN   B 1 9   ? -5.193  -11.83  -44.084 1   47.331 ? 21  GLN   A O    1 ? 2 
ATOM   1980 C CB   . GLN   B 1 9   ? -2.893  -13.455 -44.695 1   51.769 ? 21  GLN   A CB   1 ? 2 
ATOM   1981 H H    . GLN   B 1 9   ? -1.486  -12.171 -42.718 1   48.696 ? 21  GLN   A H    1 c 2 
ATOM   1982 H HA   . GLN   B 1 9   ? -2.791  -11.429 -45.1   1   53.315 ? 21  GLN   A HA   1 c 2 
ATOM   1983 H HB2  . GLN   B 1 9   ? -1.97   -13.825 -44.781 0   30     ? 21  GLN   A HB2  1 c 2 
ATOM   1984 H HB3  . GLN   B 1 9   ? -3.826  -13.756 -44.761 0   30     ? 21  GLN   A HB3  1 c 2 
ATOM   1985 N N    . GLY   B 1 10  ? -4.008  -11.409 -42.216 1   43.781 ? 22  GLY   A N    1 ? 2 
ATOM   1986 C CA   . GLY   B 1 10  ? -5.149  -11.37  -41.314 1   39.996 ? 22  GLY   A CA   1 ? 2 
ATOM   1987 C C    . GLY   B 1 10  ? -5.96   -10.103 -41.575 1   39.432 ? 22  GLY   A C    1 ? 2 
ATOM   1988 O O    . GLY   B 1 10  ? -5.371  -9.07   -41.879 1   39.397 ? 22  GLY   A O    1 ? 2 
ATOM   1989 H H    . GLY   B 1 10  ? -3.186  -11.203 -41.875 1   43.315 ? 22  GLY   A H    1 c 2 
ATOM   1990 H HA2  . GLY   B 1 10  ? -5.71   -12.167 -41.461 1   40.203 ? 22  GLY   A HA2  1 c 2 
ATOM   1991 H HA3  . GLY   B 1 10  ? -4.833  -11.381 -40.381 1   38.434 ? 22  GLY   A HA3  1 c 2 
ATOM   1992 N N    . GLU   B 1 11  ? -7.291  -10.218 -41.517 1   37.206 ? 23  GLU   A N    1 ? 2 
ATOM   1993 C CA   . GLU   B 1 11  ? -8.177  -9.056  -41.598 1   38.245 ? 23  GLU   A CA   1 ? 2 
ATOM   1994 C C    . GLU   B 1 11  ? -8.176  -8.247  -40.297 1   30.299 ? 23  GLU   A C    1 ? 2 
ATOM   1995 O O    . GLU   B 1 11  ? -8.297  -8.847  -39.224 1   26.409 ? 23  GLU   A O    1 ? 2 
ATOM   1996 C CB   . GLU   B 1 11  ? -9.551  -9.607  -41.968 1   46.025 ? 23  GLU   A CB   1 ? 2 
ATOM   1997 C CG   . GLU   B 1 11  ? -10.607 -8.533  -42.197 1   58.677 ? 23  GLU   A CG   1 ? 2 
ATOM   1998 C CD   . GLU   B 1 11  ? -12.043 -9.055  -42.246 1   69.656 ? 23  GLU   A CD   1 ? 2 
ATOM   1999 O OE1  . GLU   B 1 11  ? -12.287 -10.283 -42.101 1   72.998 ? 23  GLU   A OE1  1 ? 2 
ATOM   2000 O OE2  . GLU   B 1 11  ? -12.931 -8.189  -42.377 1   74.797 ? 23  GLU   A OE2  1 ? 2 
ATOM   2001 H H    . GLU   B 1 11  ? -7.663  -11.048 -41.423 1   37.566 ? 23  GLU   A H    1 c 2 
ATOM   2002 H HA   . GLU   B 1 11  ? -7.862  -8.474  -42.335 1   39.675 ? 23  GLU   A HA   1 c 2 
ATOM   2003 H HB2  . GLU   B 1 11  ? -9.466  -10.144 -42.783 1   47.949 ? 23  GLU   A HB2  1 c 2 
ATOM   2004 H HB3  . GLU   B 1 11  ? -9.854  -10.201 -41.25  1   44.731 ? 23  GLU   A HB3  1 c 2 
ATOM   2005 H HG2  . GLU   B 1 11  ? -10.547 -7.867  -41.48  1   56.009 ? 23  GLU   A HG2  1 c 2 
ATOM   2006 H HG3  . GLU   B 1 11  ? -10.416 -8.074  -43.042 1   59.417 ? 23  GLU   A HG3  1 c 2 
ATOM   2007 N N    . ASP   B 1 12  ? -8.059  -6.904  -40.39  1   29.1   ? 24  ASP   A N    1 ? 2 
ATOM   2008 C CA   . ASP   B 1 12  ? -8.145  -6.023  -39.232 1   27.996 ? 24  ASP   A CA   1 ? 2 
ATOM   2009 C C    . ASP   B 1 12  ? -9.616  -5.83   -38.855 1   26.429 ? 24  ASP   A C    1 ? 2 
ATOM   2010 O O    . ASP   B 1 12  ? -10.39  -5.207  -39.623 1   29.786 ? 24  ASP   A O    1 ? 2 
ATOM   2011 C CB   . ASP   B 1 12  ? -7.468  -4.687  -39.523 1   30.611 ? 24  ASP   A CB   1 ? 2 
ATOM   2012 C CG   . ASP   B 1 12  ? -7.365  -3.733  -38.342 1   30.061 ? 24  ASP   A CG   1 ? 2 
ATOM   2013 O OD1  . ASP   B 1 12  ? -8.051  -3.991  -37.293 1   27.234 ? 24  ASP   A OD1  1 ? 2 
ATOM   2014 O OD2  . ASP   B 1 12  ? -6.733  -2.664  -38.513 1   31.094 ? 24  ASP   A OD2  1 ? 2 
ATOM   2015 H H    . ASP   B 1 12  ? -7.922  -6.529  -41.212 1   31.582 ? 24  ASP   A H    1 c 2 
ATOM   2016 H HA   . ASP   B 1 12  ? -7.678  -6.448  -38.48  1   26.599 ? 24  ASP   A HA   1 c 2 
ATOM   2017 H HB2  . ASP   B 1 12  ? -6.561  -4.862  -39.851 1   31.389 ? 24  ASP   A HB2  1 c 2 
ATOM   2018 H HB3  . ASP   B 1 12  ? -7.962  -4.234  -40.238 1   32.011 ? 24  ASP   A HB3  1 c 2 
ATOM   2019 N N    . ILE   B 1 13  ? -10.045 -6.402  -37.725 1   26.833 ? 25  ILE   A N    1 ? 2 
ATOM   2020 C CA   . ILE   B 1 13  ? -11.455 -6.341  -37.385 1   27.606 ? 25  ILE   A CA   1 ? 2 
ATOM   2021 C C    . ILE   B 1 13  ? -11.682 -5.29   -36.286 1   29.485 ? 25  ILE   A C    1 ? 2 
ATOM   2022 O O    . ILE   B 1 13  ? -12.758 -5.252  -35.701 1   32.507 ? 25  ILE   A O    1 ? 2 
ATOM   2023 C CB   . ILE   B 1 13  ? -11.998 -7.737  -36.971 1   28.472 ? 25  ILE   A CB   1 ? 2 
ATOM   2024 C CG1  . ILE   B 1 13  ? -11.284 -8.337  -35.753 1   26.101 ? 25  ILE   A CG1  1 ? 2 
ATOM   2025 C CG2  . ILE   B 1 13  ? -11.988 -8.7    -38.152 1   31.519 ? 25  ILE   A CG2  1 ? 2 
ATOM   2026 C CD1  . ILE   B 1 13  ? -11.996 -9.533  -35.147 1   25.482 ? 25  ILE   A CD1  1 ? 2 
ATOM   2027 H H    . ILE   B 1 13  ? -9.46   -6.822  -37.162 1   25.481 ? 25  ILE   A H    1 c 2 
ATOM   2028 H HA   . ILE   B 1 13  ? -11.948 -6.056  -38.178 1   29.46  ? 25  ILE   A HA   1 c 2 
ATOM   2029 H HB   . ILE   B 1 13  ? -12.933 -7.613  -36.714 1   28.024 ? 25  ILE   A HB   1 c 2 
ATOM   2030 H HG12 . ILE   B 1 13  ? -10.383 -8.611  -36.021 1   26.576 ? 25  ILE   A HG12 1 c 2 
ATOM   2031 H HG13 . ILE   B 1 13  ? -11.194 -7.645  -35.067 1   25.652 ? 25  ILE   A HG13 1 c 2 
ATOM   2032 H HG21 . ILE   B 1 13  ? -12.512 -9.489  -37.935 1   30.604 ? 25  ILE   A HG21 1 c 2 
ATOM   2033 H HG22 . ILE   B 1 13  ? -11.074 -8.964  -38.35  1   31.309 ? 25  ILE   A HG22 1 c 2 
ATOM   2034 H HG23 . ILE   B 1 13  ? -12.372 -8.263  -38.931 1   32.39  ? 25  ILE   A HG23 1 c 2 
ATOM   2035 H HD11 . ILE   B 1 13  ? -12.941 -9.323  -35.022 1   25.366 ? 25  ILE   A HD11 1 c 2 
ATOM   2036 H HD12 . ILE   B 1 13  ? -11.597 -9.749  -34.283 1   24.343 ? 25  ILE   A HD12 1 c 2 
ATOM   2037 H HD13 . ILE   B 1 13  ? -11.912 -10.301 -35.743 1   26.072 ? 25  ILE   A HD13 1 c 2 
ATOM   2038 N N    . THR   B 1 14  ? -10.704 -4.434  -35.961 1   26.961 ? 26  THR   A N    1 ? 2 
ATOM   2039 C CA   . THR   B 1 14  ? -10.903 -3.361  -35.008 1   26.871 ? 26  THR   A CA   1 ? 2 
ATOM   2040 C C    . THR   B 1 14  ? -11.678 -2.197  -35.675 1   27.813 ? 26  THR   A C    1 ? 2 
ATOM   2041 O O    . THR   B 1 14  ? -11.524 -1.913  -36.879 1   30.151 ? 26  THR   A O    1 ? 2 
ATOM   2042 C CB   . THR   B 1 14  ? -9.567  -2.842  -34.439 1   24.965 ? 26  THR   A CB   1 ? 2 
ATOM   2043 O OG1  . THR   B 1 14  ? -8.835  -2.239  -35.506 1   26.409 ? 26  THR   A OG1  1 ? 2 
ATOM   2044 C CG2  . THR   B 1 14  ? -8.81   -3.895  -33.696 1   22.835 ? 26  THR   A CG2  1 ? 2 
ATOM   2045 H H    . THR   B 1 14  ? -9.881  -4.525  -36.348 1   28.108 ? 26  THR   A H    1 c 2 
ATOM   2046 H HA   . THR   B 1 14  ? -11.438 -3.709  -34.263 1   25.286 ? 26  THR   A HA   1 c 2 
ATOM   2047 H HB   . THR   B 1 14  ? -9.781  -2.138  -33.781 1   25.052 ? 26  THR   A HB   1 c 2 
ATOM   2048 H HG1  . THR   B 1 14  ? -8.683  -2.822  -36.122 0   30     ? 26  THR   A HG1  1 c 2 
ATOM   2049 H HG21 . THR   B 1 14  ? -7.952  -3.54   -33.412 1   23.206 ? 26  THR   A HG21 1 c 2 
ATOM   2050 H HG22 . THR   B 1 14  ? -8.667  -4.662  -34.275 1   23.099 ? 26  THR   A HG22 1 c 2 
ATOM   2051 H HG23 . THR   B 1 14  ? -9.319  -4.171  -32.915 1   21.898 ? 26  THR   A HG23 1 c 2 
ATOM   2052 N N    . SER   B 1 15  ? -12.495 -1.51   -34.843 1   31.661 ? 27  SER   A N    1 ? 2 
ATOM   2053 C CA   . SER   B 1 15  ? -13.157 -0.268  -35.269 1   36.878 ? 27  SER   A CA   1 ? 2 
ATOM   2054 C C    . SER   B 1 15  ? -12.159 0.824   -35.601 1   35.775 ? 27  SER   A C    1 ? 2 
ATOM   2055 O O    . SER   B 1 15  ? -12.372 1.622   -36.525 1   39.372 ? 27  SER   A O    1 ? 2 
ATOM   2056 C CB   . SER   B 1 15  ? -14.076 0.271   -34.17  1   37.022 ? 27  SER   A CB   1 ? 2 
ATOM   2057 O OG   . SER   B 1 15  ? -14.986 -0.698  -33.703 1   41.062 ? 27  SER   A OG   1 ? 2 
ATOM   2058 H H    . SER   B 1 15  ? -12.642 -1.821  -33.996 1   29.918 ? 27  SER   A H    1 c 2 
ATOM   2059 H HA   . SER   B 1 15  ? -13.699 -0.459  -36.076 1   36.588 ? 27  SER   A HA   1 c 2 
ATOM   2060 H HB2  . SER   B 1 15  ? -13.531 0.584   -33.423 1   37.62  ? 27  SER   A HB2  1 c 2 
ATOM   2061 H HB3  . SER   B 1 15  ? -14.571 1.035   -34.518 1   39.538 ? 27  SER   A HB3  1 c 2 
ATOM   2062 H HG   . SER   B 1 15  ? -15.52  -0.422  -33.174 0   30     ? 27  SER   A HG   1 c 2 
ATOM   2063 N N    . LYS   B 1 16  ? -11.119 0.947   -34.785 1   33.625 ? 28  LYS   A N    1 ? 2 
ATOM   2064 C CA   . LYS   B 1 16  ? -10.094 1.963   -35.003 1   39.377 ? 28  LYS   A CA   1 ? 2 
ATOM   2065 C C    . LYS   B 1 16  ? -9.166  1.65    -36.18  1   39.758 ? 28  LYS   A C    1 ? 2 
ATOM   2066 O O    . LYS   B 1 16  ? -8.44   2.526   -36.58  1   42.881 ? 28  LYS   A O    1 ? 2 
ATOM   2067 C CB   . LYS   B 1 16  ? -9.244  2.152   -33.75  1   39.279 ? 28  LYS   A CB   1 ? 2 
ATOM   2068 C CG   . LYS   B 1 16  ? -9.988  2.84    -32.606 1   44.643 ? 28  LYS   A CG   1 ? 2 
ATOM   2069 C CD   . LYS   B 1 16  ? -9.442  2.486   -31.238 1   50.843 ? 28  LYS   A CD   1 ? 2 
ATOM   2070 C CE   . LYS   B 1 16  ? -8.792  3.603   -30.521 1   61.292 ? 28  LYS   A CE   1 ? 2 
ATOM   2071 N NZ   . LYS   B 1 16  ? -9.8    4.188   -29.632 1   62.37  ? 28  LYS   A NZ   1 ? 2 
ATOM   2072 H H    . LYS   B 1 16  ? -11.041 0.389   -34.065 1   33.275 ? 28  LYS   A H    1 c 2 
ATOM   2073 H HA   . LYS   B 1 16  ? -10.551 2.822   -35.19  1   40.031 ? 28  LYS   A HA   1 c 2 
ATOM   2074 H HB2  . LYS   B 1 16  ? -8.935  1.273   -33.442 1   38.75  ? 28  LYS   A HB2  1 c 2 
ATOM   2075 H HB3  . LYS   B 1 16  ? -8.453  2.687   -33.975 1   41.509 ? 28  LYS   A HB3  1 c 2 
ATOM   2076 H HG2  . LYS   B 1 16  ? -9.932  3.812   -32.736 1   46.693 ? 28  LYS   A HG2  1 c 2 
ATOM   2077 H HG3  . LYS   B 1 16  ? -10.935 2.585   -32.649 1   44.24  ? 28  LYS   A HG3  1 c 2 
ATOM   2078 H HD2  . LYS   B 1 16  ? -10.179 2.142   -30.689 1   49.834 ? 28  LYS   A HD2  1 c 2 
ATOM   2079 H HD3  . LYS   B 1 16  ? -8.791  1.757   -31.336 1   49.6   ? 28  LYS   A HD3  1 c 2 
ATOM   2080 H HE2  . LYS   B 1 16  ? -8.042  3.274   -29.992 1   58.421 ? 28  LYS   A HE2  1 c 2 
ATOM   2081 H HE3  . LYS   B 1 16  ? -8.468  4.278   -31.143 1   60.688 ? 28  LYS   A HE3  1 c 2 
ATOM   2082 H HZ1  . LYS   B 1 16  ? -10.004 3.606   -28.968 1   60.565 ? 28  LYS   A HZ1  1 c 2 
ATOM   2083 H HZ2  . LYS   B 1 16  ? -10.551 4.386   -30.099 1   62.501 ? 28  LYS   A HZ2  1 c 2 
ATOM   2084 H HZ3  . LYS   B 1 16  ? -9.473  4.949   -29.265 1   63.291 ? 28  LYS   A HZ3  1 c 2 
ATOM   2085 N N    . LYS   B 1 17  ? -9.192  0.441   -36.747 1   38.095 ? 29  LYS   A N    1 ? 2 
ATOM   2086 C CA   . LYS   B 1 17  ? -8.257  0.037   -37.785 1   39.685 ? 29  LYS   A CA   1 ? 2 
ATOM   2087 C C    . LYS   B 1 17  ? -6.815  0.295   -37.356 1   40.591 ? 29  LYS   A C    1 ? 2 
ATOM   2088 O O    . LYS   B 1 17  ? -6.042  0.915   -38.074 1   41.193 ? 29  LYS   A O    1 ? 2 
ATOM   2089 C CB   . LYS   B 1 17  ? -8.564  0.686   -39.136 1   47.017 ? 29  LYS   A CB   1 ? 2 
ATOM   2090 C CG   . LYS   B 1 17  ? -9.915  0.246   -39.67  1   51.187 ? 29  LYS   A CG   1 ? 2 
ATOM   2091 C CD   . LYS   B 1 17  ? -9.94   -1.201  -40.154 1   54.022 ? 29  LYS   A CD   1 ? 2 
ATOM   2092 C CE   . LYS   B 1 17  ? -10.962 -1.472  -41.233 1   62.38  ? 29  LYS   A CE   1 ? 2 
ATOM   2093 N NZ   . LYS   B 1 17  ? -11.933 -2.415  -40.658 1   65.034 ? 29  LYS   A NZ   1 ? 2 
ATOM   2094 H H    . LYS   B 1 17  ? -9.815  -0.166  -36.468 1   36.953 ? 29  LYS   A H    1 c 2 
ATOM   2095 H HA   . LYS   B 1 17  ? -8.36   -0.939  -37.906 1   39.42  ? 29  LYS   A HA   1 c 2 
ATOM   2096 H HB2  . LYS   B 1 17  ? -8.561  1.662   -39.04  1   48.031 ? 29  LYS   A HB2  1 c 2 
ATOM   2097 H HB3  . LYS   B 1 17  ? -7.871  0.439   -39.784 1   47.919 ? 29  LYS   A HB3  1 c 2 
ATOM   2098 H HG2  . LYS   B 1 17  ? -10.586 0.358   -38.961 1   49.666 ? 29  LYS   A HG2  1 c 2 
ATOM   2099 H HG3  . LYS   B 1 17  ? -10.163 0.838   -40.414 1   53.128 ? 29  LYS   A HG3  1 c 2 
ATOM   2100 H HD2  . LYS   B 1 17  ? -9.05   -1.432  -40.499 1   55.078 ? 29  LYS   A HD2  1 c 2 
ATOM   2101 H HD3  . LYS   B 1 17  ? -10.117 -1.786  -39.385 1   52.626 ? 29  LYS   A HD3  1 c 2 
ATOM   2102 H HE2  . LYS   B 1 17  ? -11.419 -0.655  -41.499 1   63.009 ? 29  LYS   A HE2  1 c 2 
ATOM   2103 H HE3  . LYS   B 1 17  ? -10.539 -1.872  -42.013 1   62.958 ? 29  LYS   A HE3  1 c 2 
ATOM   2104 H HZ1  . LYS   B 1 17  ? -12.29  -2.072  -39.899 1   62.225 ? 29  LYS   A HZ1  1 c 2 
ATOM   2105 H HZ2  . LYS   B 1 17  ? -11.526 -3.202  -40.469 1   62.249 ? 29  LYS   A HZ2  1 c 2 
ATOM   2106 H HZ3  . LYS   B 1 17  ? -12.599 -2.564  -41.254 1   64.361 ? 29  LYS   A HZ3  1 c 2 
ATOM   2107 N N    . ASP   B 1 18  ? -6.469  -0.231  -36.189 1   36.384 ? 30  ASP   A N    1 ? 2 
ATOM   2108 C CA   . ASP   B 1 18  ? -5.134  -0.09   -35.634 1   35.28  ? 30  ASP   A CA   1 ? 2 
ATOM   2109 C C    . ASP   B 1 18  ? -4.422  -1.447  -35.58  1   31.219 ? 30  ASP   A C    1 ? 2 
ATOM   2110 O O    . ASP   B 1 18  ? -3.417  -1.587  -34.897 1   30.881 ? 30  ASP   A O    1 ? 2 
ATOM   2111 C CB   . ASP   B 1 18  ? -5.219  0.466   -34.219 1   32.89  ? 30  ASP   A CB   1 ? 2 
ATOM   2112 C CG   . ASP   B 1 18  ? -6.022  -0.336  -33.209 1   29.432 ? 30  ASP   A CG   1 ? 2 
ATOM   2113 O OD1  . ASP   B 1 18  ? -6.305  -1.509  -33.517 1   26.496 ? 30  ASP   A OD1  1 ? 2 
ATOM   2114 O OD2  . ASP   B 1 18  ? -6.337  0.25    -32.157 1   30.829 ? 30  ASP   A OD2  1 ? 2 
ATOM   2115 H H    . ASP   B 1 18  ? -7.09   -0.706  -35.716 1   34.991 ? 30  ASP   A H    1 c 2 
ATOM   2116 H HA   . ASP   B 1 18  ? -4.613  0.527   -36.196 1   36.685 ? 30  ASP   A HA   1 c 2 
ATOM   2117 H HB2  . ASP   B 1 18  ? -4.311  0.571   -33.867 1   33.184 ? 30  ASP   A HB2  1 c 2 
ATOM   2118 H HB3  . ASP   B 1 18  ? -5.618  1.36    -34.269 1   34.09  ? 30  ASP   A HB3  1 c 2 
ATOM   2119 N N    . ARG   B 1 19  ? -4.939  -2.423  -36.322 1   30.806 ? 31  ARG   A N    1 ? 2 
ATOM   2120 C CA   . ARG   B 1 19  ? -4.389  -3.768  -36.448 1   31.6   ? 31  ARG   A CA   1 ? 2 
ATOM   2121 C C    . ARG   B 1 19  ? -4.287  -4.474  -35.092 1   29.897 ? 31  ARG   A C    1 ? 2 
ATOM   2122 O O    . ARG   B 1 19  ? -3.517  -5.426  -34.926 1   28.209 ? 31  ARG   A O    1 ? 2 
ATOM   2123 C CB   . ARG   B 1 19  ? -3.048  -3.786  -37.235 1   34.258 ? 31  ARG   A CB   1 ? 2 
ATOM   2124 C CG   . ARG   B 1 19  ? -3.18   -3.281  -38.642 1   37.848 ? 31  ARG   A CG   1 ? 2 
ATOM   2125 C CD   . ARG   B 1 19  ? -1.844  -3.292  -39.38  1   38.685 ? 31  ARG   A CD   1 ? 2 
ATOM   2126 N NE   . ARG   B 1 19  ? -1.091  -4.531  -39.154 1   38.224 ? 31  ARG   A NE   1 ? 2 
ATOM   2127 C CZ   . ARG   B 1 19  ? -1.288  -5.678  -39.79  1   38.28  ? 31  ARG   A CZ   1 ? 2 
ATOM   2128 N NH1  . ARG   B 1 19  ? -2.228  -5.785  -40.692 1   38.323 ? 31  ARG   A NH1  1 ? 2 
ATOM   2129 N NH2  . ARG   B 1 19  ? -0.503  -6.722  -39.572 1   42.133 ? 31  ARG   A NH2  1 ? 2 
ATOM   2130 H H    . ARG   B 1 19  ? -5.696  -2.236  -36.797 1   31.751 ? 31  ARG   A H    1 c 2 
ATOM   2131 H HA   . ARG   B 1 19  ? -5.027  -4.291  -36.994 1   31.519 ? 31  ARG   A HA   1 c 2 
ATOM   2132 H HB2  . ARG   B 1 19  ? -2.391  -3.235  -36.759 1   34.542 ? 31  ARG   A HB2  1 c 2 
ATOM   2133 H HB3  . ARG   B 1 19  ? -2.708  -4.706  -37.258 1   33.821 ? 31  ARG   A HB3  1 c 2 
ATOM   2134 H HG2  . ARG   B 1 19  ? -3.821  -3.842  -39.13  1   37.191 ? 31  ARG   A HG2  1 c 2 
ATOM   2135 H HG3  . ARG   B 1 19  ? -3.529  -2.363  -38.625 1   37.915 ? 31  ARG   A HG3  1 c 2 
ATOM   2136 H HD2  . ARG   B 1 19  ? -2.006  -3.182  -40.339 1   40.936 ? 31  ARG   A HD2  1 c 2 
ATOM   2137 H HD3  . ARG   B 1 19  ? -1.307  -2.53   -39.078 1   39.785 ? 31  ARG   A HD3  1 c 2 
ATOM   2138 H HE   . ARG   B 1 19  ? -0.462  -4.513  -38.55  1   37.629 ? 31  ARG   A HE   1 c 2 
ATOM   2139 H HH11 . ARG   B 1 19  ? -3.073  -5.651  -40.465 1   37.585 ? 31  ARG   A HH11 1 c 2 
ATOM   2140 H HH12 . ARG   B 1 19  ? -2.013  -5.992  -41.525 1   40.372 ? 31  ARG   A HH12 1 c 2 
ATOM   2141 H HH21 . ARG   B 1 19  ? 0.193   -6.646  -39.033 1   40.341 ? 31  ARG   A HH21 1 c 2 
ATOM   2142 H HH22 . ARG   B 1 19  ? -0.678  -7.493  -39.968 1   40.889 ? 31  ARG   A HH22 1 c 2 
ATOM   2143 N N    . GLY   B 1 20  ? -5.072  -4.05   -34.085 1   25.437 ? 32  GLY   A N    1 ? 2 
ATOM   2144 C CA   . GLY   B 1 20  ? -4.897  -4.598  -32.741 1   26.608 ? 32  GLY   A CA   1 ? 2 
ATOM   2145 C C    . GLY   B 1 20  ? -5.515  -5.987  -32.598 1   23.498 ? 32  GLY   A C    1 ? 2 
ATOM   2146 O O    . GLY   B 1 20  ? -5.169  -6.732  -31.686 1   23.718 ? 32  GLY   A O    1 ? 2 
ATOM   2147 H H    . GLY   B 1 20  ? -5.73   -3.433  -34.235 1   27.146 ? 32  GLY   A H    1 c 2 
ATOM   2148 H HA2  . GLY   B 1 20  ? -3.934  -4.644  -32.535 1   25.692 ? 32  GLY   A HA2  1 c 2 
ATOM   2149 H HA3  . GLY   B 1 20  ? -5.314  -3.987  -32.092 1   25.085 ? 32  GLY   A HA3  1 c 2 
ATOM   2150 N N    . VAL   B 1 21  ? -6.437  -6.327  -33.511 1   24.506 ? 33  VAL   A N    1 ? 2 
ATOM   2151 C CA   . VAL   B 1 21  ? -7.095  -7.631  -33.556 1   22.607 ? 33  VAL   A CA   1 ? 2 
ATOM   2152 C C    . VAL   B 1 21  ? -7.181  -8.062  -35.025 1   24.671 ? 33  VAL   A C    1 ? 2 
ATOM   2153 O O    . VAL   B 1 21  ? -7.907  -7.446  -35.803 1   25.391 ? 33  VAL   A O    1 ? 2 
ATOM   2154 C CB   . VAL   B 1 21  ? -8.472  -7.697  -32.885 1   23.216 ? 33  VAL   A CB   1 ? 2 
ATOM   2155 C CG1  . VAL   B 1 21  ? -9.01   -9.115  -32.88  1   23.965 ? 33  VAL   A CG1  1 ? 2 
ATOM   2156 C CG2  . VAL   B 1 21  ? -8.506  -7.095  -31.469 1   20.485 ? 33  VAL   A CG2  1 ? 2 
ATOM   2157 H H    . VAL   B 1 21  ? -6.673  -5.709  -34.141 1   25.045 ? 33  VAL   A H    1 c 2 
ATOM   2158 H HA   . VAL   B 1 21  ? -6.515  -8.267  -33.095 1   22.691 ? 33  VAL   A HA   1 c 2 
ATOM   2159 H HB   . VAL   B 1 21  ? -9.084  -7.159  -33.44  1   23.44  ? 33  VAL   A HB   1 c 2 
ATOM   2160 H HG11 . VAL   B 1 21  ? -8.308  -9.728  -32.605 1   23.321 ? 33  VAL   A HG11 1 c 2 
ATOM   2161 H HG12 . VAL   B 1 21  ? -9.316  -9.351  -33.771 1   24.4   ? 33  VAL   A HG12 1 c 2 
ATOM   2162 H HG13 . VAL   B 1 21  ? -9.755  -9.178  -32.258 1   22.914 ? 33  VAL   A HG13 1 c 2 
ATOM   2163 H HG21 . VAL   B 1 21  ? -9.405  -7.166  -31.107 1   20.563 ? 33  VAL   A HG21 1 c 2 
ATOM   2164 H HG22 . VAL   B 1 21  ? -8.247  -6.159  -31.508 1   21.498 ? 33  VAL   A HG22 1 c 2 
ATOM   2165 H HG23 . VAL   B 1 21  ? -7.887  -7.578  -30.896 1   20.439 ? 33  VAL   A HG23 1 c 2 
ATOM   2166 N N    . LEU   B 1 22  ? -6.413  -9.13   -35.392 1   23.977 ? 34  LEU   A N    1 ? 2 
ATOM   2167 C CA   . LEU   B 1 22  ? -6.37   -9.672  -36.747 1   24.411 ? 34  LEU   A CA   1 ? 2 
ATOM   2168 C C    . LEU   B 1 22  ? -6.954  -11.061 -36.789 1   24.75  ? 34  LEU   A C    1 ? 2 
ATOM   2169 O O    . LEU   B 1 22  ? -6.68   -11.879 -35.896 1   23.163 ? 34  LEU   A O    1 ? 2 
ATOM   2170 C CB   . LEU   B 1 22  ? -4.938  -9.652  -37.251 1   27.011 ? 34  LEU   A CB   1 ? 2 
ATOM   2171 C CG   . LEU   B 1 22  ? -4.202  -8.315  -37.248 1   27.057 ? 34  LEU   A CG   1 ? 2 
ATOM   2172 C CD1  . LEU   B 1 22  ? -2.722  -8.555  -37.447 1   29.543 ? 34  LEU   A CD1  1 ? 2 
ATOM   2173 C CD2  . LEU   B 1 22  ? -4.787  -7.391  -38.276 1   28.293 ? 34  LEU   A CD2  1 ? 2 
ATOM   2174 H H    . LEU   B 1 22  ? -5.895  -9.531  -34.754 1   23.232 ? 34  LEU   A H    1 c 2 
ATOM   2175 H HA   . LEU   B 1 22  ? -6.918  -9.089  -37.326 1   25.745 ? 34  LEU   A HA   1 c 2 
ATOM   2176 H HB2  . LEU   B 1 22  ? -4.419  -10.286 -36.704 1   25.94  ? 34  LEU   A HB2  1 c 2 
ATOM   2177 H HB3  . LEU   B 1 22  ? -4.935  -10.002 -38.171 1   28.01  ? 34  LEU   A HB3  1 c 2 
ATOM   2178 H HG   . LEU   B 1 22  ? -4.325  -7.896  -36.357 1   26.053 ? 34  LEU   A HG   1 c 2 
ATOM   2179 H HD11 . LEU   B 1 22  ? -2.356  -8.998  -36.663 1   28.031 ? 34  LEU   A HD11 1 c 2 
ATOM   2180 H HD12 . LEU   B 1 22  ? -2.269  -7.705  -37.579 1   29.98  ? 34  LEU   A HD12 1 c 2 
ATOM   2181 H HD13 . LEU   B 1 22  ? -2.586  -9.117  -38.228 1   30.378 ? 34  LEU   A HD13 1 c 2 
ATOM   2182 H HD21 . LEU   B 1 22  ? -5.685  -7.137  -38.009 1   27.625 ? 34  LEU   A HD21 1 c 2 
ATOM   2183 H HD22 . LEU   B 1 22  ? -4.821  -7.841  -39.137 1   29.729 ? 34  LEU   A HD22 1 c 2 
ATOM   2184 H HD23 . LEU   B 1 22  ? -4.235  -6.594  -38.35  1   29.267 ? 34  LEU   A HD23 1 c 2 
ATOM   2185 N N    . LYS   B 1 23  ? -7.711  -11.369 -37.826 1   24.528 ? 35  LYS   A N    1 ? 2 
ATOM   2186 C CA   . LYS   B 1 23  ? -8.51   -12.593 -37.874 1   26.126 ? 35  LYS   A CA   1 ? 2 
ATOM   2187 C C    . LYS   B 1 23  ? -8.379  -13.311 -39.19  1   29.606 ? 35  LYS   A C    1 ? 2 
ATOM   2188 O O    . LYS   B 1 23  ? -8.442  -12.687 -40.252 1   32.119 ? 35  LYS   A O    1 ? 2 
ATOM   2189 C CB   . LYS   B 1 23  ? -10.011 -12.256 -37.833 1   27.827 ? 35  LYS   A CB   1 ? 2 
ATOM   2190 C CG   . LYS   B 1 23  ? -10.949 -13.501 -37.782 1   30.414 ? 35  LYS   A CG   1 ? 2 
ATOM   2191 C CD   . LYS   B 1 23  ? -12.437 -13.199 -37.854 1   31.513 ? 35  LYS   A CD   1 ? 2 
ATOM   2192 C CE   . LYS   B 1 23  ? -13.322 -14.394 -37.728 1   31.648 ? 35  LYS   A CE   1 ? 2 
ATOM   2193 N NZ   . LYS   B 1 23  ? -14.727 -14.104 -38.018 1   29.887 ? 35  LYS   A NZ   1 ? 2 
ATOM   2194 H H    . LYS   B 1 23  ? -7.737  -10.803 -38.543 1   26.369 ? 35  LYS   A H    1 c 2 
ATOM   2195 H HA   . LYS   B 1 23  ? -8.256  -13.188 -37.129 1   25.446 ? 35  LYS   A HA   1 c 2 
ATOM   2196 H HB2  . LYS   B 1 23  ? -10.187 -11.703 -37.043 1   26.515 ? 35  LYS   A HB2  1 c 2 
ATOM   2197 H HB3  . LYS   B 1 23  ? -10.241 -11.725 -38.625 1   28.951 ? 35  LYS   A HB3  1 c 2 
ATOM   2198 H HG2  . LYS   B 1 23  ? -10.717 -14.097 -38.526 1   31.449 ? 35  LYS   A HG2  1 c 2 
ATOM   2199 H HG3  . LYS   B 1 23  ? -10.767 -13.988 -36.949 1   29.032 ? 35  LYS   A HG3  1 c 2 
ATOM   2200 H HD2  . LYS   B 1 23  ? -12.66  -12.565 -37.139 1   30.023 ? 35  LYS   A HD2  1 c 2 
ATOM   2201 H HD3  . LYS   B 1 23  ? -12.625 -12.753 -38.707 1   32.573 ? 35  LYS   A HD3  1 c 2 
ATOM   2202 H HE2  . LYS   B 1 23  ? -13.012 -15.087 -38.338 1   32.329 ? 35  LYS   A HE2  1 c 2 
ATOM   2203 H HE3  . LYS   B 1 23  ? -13.257 -14.745 -36.822 1   29.988 ? 35  LYS   A HE3  1 c 2 
ATOM   2204 H HZ1  . LYS   B 1 23  ? -14.796 -13.671 -38.811 1   31.655 ? 35  LYS   A HZ1  1 c 2 
ATOM   2205 H HZ2  . LYS   B 1 23  ? -15.072 -13.583 -37.363 1   29.521 ? 35  LYS   A HZ2  1 c 2 
ATOM   2206 H HZ3  . LYS   B 1 23  ? -15.197 -14.877 -38.06  1   31.204 ? 35  LYS   A HZ3  1 c 2 
ATOM   2207 N N    . ILE   B 1 24  ? -8.25   -14.648 -39.149 1   30.571 ? 36  ILE   A N    1 ? 2 
ATOM   2208 C CA   . ILE   B 1 24  ? -8.402  -15.502 -40.321 1   34.2   ? 36  ILE   A CA   1 ? 2 
ATOM   2209 C C    . ILE   B 1 24  ? -9.467  -16.545 -39.994 1   35.705 ? 36  ILE   A C    1 ? 2 
ATOM   2210 O O    . ILE   B 1 24  ? -9.404  -17.237 -38.969 1   33.446 ? 36  ILE   A O    1 ? 2 
ATOM   2211 C CB   . ILE   B 1 24  ? -7.108  -16.208 -40.789 1   36.101 ? 36  ILE   A CB   1 ? 2 
ATOM   2212 C CG1  . ILE   B 1 24  ? -6.051  -15.175 -41.077 1   36.892 ? 36  ILE   A CG1  1 ? 2 
ATOM   2213 C CG2  . ILE   B 1 24  ? -7.361  -17.175 -41.979 1   39.743 ? 36  ILE   A CG2  1 ? 2 
ATOM   2214 C CD1  . ILE   B 1 24  ? -4.755  -15.688 -41.633 1   40.859 ? 36  ILE   A CD1  1 ? 2 
ATOM   2215 H H    . ILE   B 1 24  ? -8.055  -15.045 -38.349 1   29.579 ? 36  ILE   A H    1 c 2 
ATOM   2216 H HA   . ILE   B 1 24  ? -8.728  -14.952 -41.058 1   35.386 ? 36  ILE   A HA   1 c 2 
ATOM   2217 H HB   . ILE   B 1 24  ? -6.786  -16.747 -40.04  1   35.303 ? 36  ILE   A HB   1 c 2 
ATOM   2218 H HG12 . ILE   B 1 24  ? -6.421  -14.527 -41.711 1   38.043 ? 36  ILE   A HG12 1 c 2 
ATOM   2219 H HG13 . ILE   B 1 24  ? -5.857  -14.694 -40.247 1   35.435 ? 36  ILE   A HG13 1 c 2 
ATOM   2220 H HG21 . ILE   B 1 24  ? -6.533  -17.624 -42.219 1   40.723 ? 36  ILE   A HG21 1 c 2 
ATOM   2221 H HG22 . ILE   B 1 24  ? -7.688  -16.672 -42.744 1   40.717 ? 36  ILE   A HG22 1 c 2 
ATOM   2222 H HG23 . ILE   B 1 24  ? -8.022  -17.841 -41.726 1   39.387 ? 36  ILE   A HG23 1 c 2 
ATOM   2223 H HD11 . ILE   B 1 24  ? -4.427  -16.419 -41.075 1   39.722 ? 36  ILE   A HD11 1 c 2 
ATOM   2224 H HD12 . ILE   B 1 24  ? -4.098  -14.968 -41.643 1   40.259 ? 36  ILE   A HD12 1 c 2 
ATOM   2225 H HD13 . ILE   B 1 24  ? -4.891  -16.012 -42.544 1   42.307 ? 36  ILE   A HD13 1 c 2 
ATOM   2226 N N    . VAL   B 1 25  ? -10.426 -16.712 -40.91  1   33.91  ? 37  VAL   A N    1 ? 2 
ATOM   2227 C CA   . VAL   B 1 25  ? -11.384 -17.793 -40.773 1   34.178 ? 37  VAL   A CA   1 ? 2 
ATOM   2228 C C    . VAL   B 1 25  ? -10.708 -19.09  -41.255 1   37.175 ? 37  VAL   A C    1 ? 2 
ATOM   2229 O O    . VAL   B 1 25  ? -10.341 -19.199 -42.448 1   40.158 ? 37  VAL   A O    1 ? 2 
ATOM   2230 C CB   . VAL   B 1 25  ? -12.653 -17.506 -41.595 1   36.909 ? 37  VAL   A CB   1 ? 2 
ATOM   2231 C CG1  . VAL   B 1 25  ? -13.603 -18.708 -41.629 1   38.007 ? 37  VAL   A CG1  1 ? 2 
ATOM   2232 C CG2  . VAL   B 1 25  ? -13.34  -16.203 -41.162 1   34.674 ? 37  VAL   A CG2  1 ? 2 
ATOM   2233 H H    . VAL   B 1 25  ? -10.484 -16.15  -41.629 1   35.619 ? 37  VAL   A H    1 c 2 
ATOM   2234 H HA   . VAL   B 1 25  ? -11.629 -17.887 -39.832 1   33.031 ? 37  VAL   A HA   1 c 2 
ATOM   2235 H HB   . VAL   B 1 25  ? -12.355 -17.365 -42.524 1   38.247 ? 37  VAL   A HB   1 c 2 
ATOM   2236 H HG11 . VAL   B 1 25  ? -13.583 -19.163 -40.77  1   36.911 ? 37  VAL   A HG11 1 c 2 
ATOM   2237 H HG12 . VAL   B 1 25  ? -13.325 -19.324 -42.328 1   40.054 ? 37  VAL   A HG12 1 c 2 
ATOM   2238 H HG13 . VAL   B 1 25  ? -14.508 -18.402 -41.81  1   38.322 ? 37  VAL   A HG13 1 c 2 
ATOM   2239 H HG21 . VAL   B 1 25  ? -14.122 -16.049 -41.718 1   35.94  ? 37  VAL   A HG21 1 c 2 
ATOM   2240 H HG22 . VAL   B 1 25  ? -12.722 -15.46  -41.261 1   34.524 ? 37  VAL   A HG22 1 c 2 
ATOM   2241 H HG23 . VAL   B 1 25  ? -13.614 -16.274 -40.233 1   33.246 ? 37  VAL   A HG23 1 c 2 
ATOM   2242 N N    . LYS   B 1 26  ? -10.635 -20.123 -40.403 1   34.261 ? 38  LYS   A N    1 ? 2 
ATOM   2243 C CA   . LYS   B 1 26  ? -9.993  -21.374 -40.805 1   38.295 ? 38  LYS   A CA   1 ? 2 
ATOM   2244 C C    . LYS   B 1 26  ? -10.996 -22.441 -41.215 1   41.044 ? 38  LYS   A C    1 ? 2 
ATOM   2245 O O    . LYS   B 1 26  ? -10.651 -23.374 -41.959 1   43.944 ? 38  LYS   A O    1 ? 2 
ATOM   2246 C CB   . LYS   B 1 26  ? -9.125  -21.917 -39.672 1   37.022 ? 38  LYS   A CB   1 ? 2 
ATOM   2247 C CG   . LYS   B 1 26  ? -8.077  -20.922 -39.203 1   35.648 ? 38  LYS   A CG   1 ? 2 
ATOM   2248 C CD   . LYS   B 1 26  ? -7.11   -20.398 -40.289 1   39.015 ? 38  LYS   A CD   1 ? 2 
ATOM   2249 C CE   . LYS   B 1 26  ? -6.083  -21.278 -40.756 1   41.349 ? 38  LYS   A CE   1 ? 2 
ATOM   2250 N NZ   . LYS   B 1 26  ? -5.221  -21.014 -41.893 1   48.273 ? 38  LYS   A NZ   1 ? 2 
ATOM   2251 H H    . LYS   B 1 26  ? -10.982 -20.048 -39.56  1   33.626 ? 38  LYS   A H    1 c 2 
ATOM   2252 H HA   . LYS   B 1 26  ? -9.409  -21.19  -41.582 1   39.401 ? 38  LYS   A HA   1 c 2 
ATOM   2253 H HB2  . LYS   B 1 26  ? -9.698  -22.155 -38.913 1   36.133 ? 38  LYS   A HB2  1 c 2 
ATOM   2254 H HB3  . LYS   B 1 26  ? -8.672  -22.732 -39.977 1   38.897 ? 38  LYS   A HB3  1 c 2 
ATOM   2255 H HG2  . LYS   B 1 26  ? -8.541  -20.156 -38.8   1   34.203 ? 38  LYS   A HG2  1 c 2 
ATOM   2256 H HG3  . LYS   B 1 26  ? -7.549  -21.348 -38.493 1   35.323 ? 38  LYS   A HG3  1 c 2 
ATOM   2257 H HD2  . LYS   B 1 26  ? -7.642  -20.108 -41.061 1   39.59  ? 38  LYS   A HD2  1 c 2 
ATOM   2258 H HD3  . LYS   B 1 26  ? -6.68   -19.589 -39.935 1   37.169 ? 38  LYS   A HD3  1 c 2 
ATOM   2259 H HE2  . LYS   B 1 26  ? -5.497  -21.437 -39.995 1   41.241 ? 38  LYS   A HE2  1 c 2 
ATOM   2260 H HE3  . LYS   B 1 26  ? -6.521  -22.13  -40.933 1   43.615 ? 38  LYS   A HE3  1 c 2 
ATOM   2261 H HZ1  . LYS   B 1 26  ? -4.749  -20.254 -41.749 1   45.755 ? 38  LYS   A HZ1  1 c 2 
ATOM   2262 H HZ2  . LYS   B 1 26  ? -5.723  -20.915 -42.641 1   47.989 ? 38  LYS   A HZ2  1 c 2 
ATOM   2263 H HZ3  . LYS   B 1 26  ? -4.646  -21.704 -42.009 1   48.096 ? 38  LYS   A HZ3  1 c 2 
ATOM   2264 N N    . ARG   B 1 27  ? -12.167 -22.426 -40.58  1   39.958 ? 39  ARG   A N    1 ? 2 
ATOM   2265 C CA   . ARG   B 1 27  ? -13.272 -23.254 -41.029 1   43.617 ? 39  ARG   A CA   1 ? 2 
ATOM   2266 C C    . ARG   B 1 27  ? -14.553 -22.421 -41.029 1   43.168 ? 39  ARG   A C    1 ? 2 
ATOM   2267 O O    . ARG   B 1 27  ? -14.885 -21.785 -40.038 1   40.308 ? 39  ARG   A O    1 ? 2 
ATOM   2268 C CB   . ARG   B 1 27  ? -13.448 -24.504 -40.162 1   45.227 ? 39  ARG   A CB   1 ? 2 
ATOM   2269 C CG   . ARG   B 1 27  ? -14.495 -25.475 -40.692 1   49.204 ? 39  ARG   A CG   1 ? 2 
ATOM   2270 C CD   . ARG   B 1 27  ? -14.74  -26.632 -39.743 1   51.28  ? 39  ARG   A CD   1 ? 2 
ATOM   2271 N NE   . ARG   B 1 27  ? -15.466 -26.235 -38.523 1   49.918 ? 39  ARG   A NE   1 ? 2 
ATOM   2272 C CZ   . ARG   B 1 27  ? -15.506 -26.942 -37.398 1   51.235 ? 39  ARG   A CZ   1 ? 2 
ATOM   2273 N NH1  . ARG   B 1 27  ? -14.861 -28.123 -37.287 1   54.456 ? 39  ARG   A NH1  1 ? 2 
ATOM   2274 N NH2  . ARG   B 1 27  ? -16.115 -26.404 -36.361 1   53.025 ? 39  ARG   A NH2  1 ? 2 
ATOM   2275 H H    . ARG   B 1 27  ? -12.279 -21.9   -39.841 1   38.17  ? 39  ARG   A H    1 c 2 
ATOM   2276 H HA   . ARG   B 1 27  ? -13.087 -23.543 -41.958 1   45.924 ? 39  ARG   A HA   1 c 2 
ATOM   2277 H HB2  . ARG   B 1 27  ? -12.587 -24.97  -40.101 1   45.694 ? 39  ARG   A HB2  1 c 2 
ATOM   2278 H HB3  . ARG   B 1 27  ? -13.703 -24.227 -39.256 1   43.248 ? 39  ARG   A HB3  1 c 2 
ATOM   2279 H HG2  . ARG   B 1 27  ? -15.34  -24.997 -40.835 1   48.983 ? 39  ARG   A HG2  1 c 2 
ATOM   2280 H HG3  . ARG   B 1 27  ? -14.197 -25.83  -41.558 1   51.457 ? 39  ARG   A HG3  1 c 2 
ATOM   2281 H HD2  . ARG   B 1 27  ? -15.254 -27.322 -40.211 1   53.593 ? 39  ARG   A HD2  1 c 2 
ATOM   2282 H HD3  . ARG   B 1 27  ? -13.878 -27.021 -39.492 1   51.252 ? 39  ARG   A HD3  1 c 2 
ATOM   2283 H HE   . ARG   B 1 27  ? -15.903 -25.482 -38.539 1   48.86  ? 39  ARG   A HE   1 c 2 
ATOM   2284 H HH11 . ARG   B 1 27  ? -14.986 -28.751 -37.896 1   56.352 ? 39  ARG   A HH11 1 c 2 
ATOM   2285 H HH12 . ARG   B 1 27  ? -14.319 -28.265 -36.603 1   53.187 ? 39  ARG   A HH12 1 c 2 
ATOM   2286 H HH21 . ARG   B 1 27  ? -16     -25.547 -36.178 1   49.693 ? 39  ARG   A HH21 1 c 2 
ATOM   2287 H HH22 . ARG   B 1 27  ? -16.637 -26.904 -35.852 1   52.4   ? 39  ARG   A HH22 1 c 2 
ATOM   2288 N N    . VAL   B 1 28  ? -15.288 -22.46  -42.153 1   47.119 ? 40  VAL   A N    1 ? 2 
ATOM   2289 C CA   . VAL   B 1 28  ? -16.473 -21.623 -42.274 1   47.835 ? 40  VAL   A CA   1 ? 2 
ATOM   2290 C C    . VAL   B 1 28  ? -17.59  -22.236 -41.432 1   47.997 ? 40  VAL   A C    1 ? 2 
ATOM   2291 O O    . VAL   B 1 28  ? -17.715 -23.448 -41.343 1   49.475 ? 40  VAL   A O    1 ? 2 
ATOM   2292 C CB   . VAL   B 1 28  ? -16.867 -21.463 -43.747 1   53.281 ? 40  VAL   A CB   1 ? 2 
ATOM   2293 C CG1  . VAL   B 1 28  ? -18.265 -20.868 -43.887 1   56.844 ? 40  VAL   A CG1  1 ? 2 
ATOM   2294 C CG2  . VAL   B 1 28  ? -15.829 -20.661 -44.522 1   52.711 ? 40  VAL   A CG2  1 ? 2 
ATOM   2295 H H    . VAL   B 1 28  ? -15.052 -23.01  -42.844 1   49.171 ? 40  VAL   A H    1 c 2 
ATOM   2296 H HA   . VAL   B 1 28  ? -16.263 -20.739 -41.915 1   46.058 ? 40  VAL   A HA   1 c 2 
ATOM   2297 H HB   . VAL   B 1 28  ? -16.892 -22.368 -44.137 1   55.341 ? 40  VAL   A HB   1 c 2 
ATOM   2298 H HG11 . VAL   B 1 28  ? -18.405 -20.196 -43.199 1   53.406 ? 40  VAL   A HG11 1 c 2 
ATOM   2299 H HG12 . VAL   B 1 28  ? -18.929 -21.572 -43.794 1   56.863 ? 40  VAL   A HG12 1 c 2 
ATOM   2300 H HG13 . VAL   B 1 28  ? -18.355 -20.456 -44.763 1   57.152 ? 40  VAL   A HG13 1 c 2 
ATOM   2301 H HG21 . VAL   B 1 28  ? -16.089 -20.61  -45.457 1   55.175 ? 40  VAL   A HG21 1 c 2 
ATOM   2302 H HG22 . VAL   B 1 28  ? -14.962 -21.096 -44.452 1   53.174 ? 40  VAL   A HG22 1 c 2 
ATOM   2303 H HG23 . VAL   B 1 28  ? -15.771 -19.764 -44.154 1   51.043 ? 40  VAL   A HG23 1 c 2 
ATOM   2304 N N    . GLY   B 1 29  ? -18.409 -21.399 -40.798 1   43.524 ? 41  GLY   A N    1 ? 2 
ATOM   2305 C CA   . GLY   B 1 29  ? -19.523 -21.885 -39.999 1   44.226 ? 41  GLY   A CA   1 ? 2 
ATOM   2306 C C    . GLY   B 1 29  ? -20.819 -21.929 -40.814 1   50.649 ? 41  GLY   A C    1 ? 2 
ATOM   2307 O O    . GLY   B 1 29  ? -20.795 -21.81  -42.033 1   55.266 ? 41  GLY   A O    1 ? 2 
ATOM   2308 H H    . GLY   B 1 29  ? -18.273 -20.497 -40.862 1   43.153 ? 41  GLY   A H    1 c 2 
ATOM   2309 H HA2  . GLY   B 1 29  ? -19.315 -22.787 -39.66  1   45.554 ? 41  GLY   A HA2  1 c 2 
ATOM   2310 H HA3  . GLY   B 1 29  ? -19.643 -21.29  -39.223 1   42.894 ? 41  GLY   A HA3  1 c 2 
ATOM   2311 N N    . ASN   B 1 30  ? -21.939 -22.136 -40.108 1   49.872 ? 42  ASN   A N    1 ? 2 
ATOM   2312 C CA   . ASN   B 1 30  ? -23.232 -22.417 -40.7   1   52.479 ? 42  ASN   A CA   1 ? 2 
ATOM   2313 C C    . ASN   B 1 30  ? -24.141 -21.191 -40.511 1   53.502 ? 42  ASN   A C    1 ? 2 
ATOM   2314 O O    . ASN   B 1 30  ? -24.068 -20.517 -39.472 1   53.121 ? 42  ASN   A O    1 ? 2 
ATOM   2315 C CB   . ASN   B 1 30  ? -23.738 -23.739 -40.139 1   58.28  ? 42  ASN   A CB   1 ? 2 
ATOM   2316 H H    . ASN   B 1 30  ? -21.885 -22.093 -39.197 1   48.502 ? 42  ASN   A H    1 c 2 
ATOM   2317 H HA   . ASN   B 1 30  ? -23.1   -22.548 -41.666 1   55.366 ? 42  ASN   A HA   1 c 2 
ATOM   2318 H HB2  . ASN   B 1 30  ? -23.061 -24.256 -39.941 0   30     ? 42  ASN   A HB2  1 c 2 
ATOM   2319 H HB3  . ASN   B 1 30  ? -24.773 -23.613 -40.209 0   30     ? 42  ASN   A HB3  1 c 2 
ATOM   2320 N N    . GLY   B 1 31  ? -24.954 -20.889 -41.532 1   56.987 ? 43  GLY   A N    1 ? 2 
ATOM   2321 C CA   . GLY   B 1 31  ? -25.897 -19.77  -41.537 1   57.03  ? 43  GLY   A CA   1 ? 2 
ATOM   2322 C C    . GLY   B 1 31  ? -25.22  -18.392 -41.614 1   55.708 ? 43  GLY   A C    1 ? 2 
ATOM   2323 O O    . GLY   B 1 31  ? -24.001 -18.319 -41.784 1   58.843 ? 43  GLY   A O    1 ? 2 
ATOM   2324 H H    . GLY   B 1 31  ? -24.92  -21.417 -42.277 1   58.767 ? 43  GLY   A H    1 c 2 
ATOM   2325 H HA2  . GLY   B 1 31  ? -26.504 -19.874 -42.307 1   59.346 ? 43  GLY   A HA2  1 c 2 
ATOM   2326 H HA3  . GLY   B 1 31  ? -26.445 -19.815 -40.719 1   56.464 ? 43  GLY   A HA3  1 c 2 
ATOM   2327 N N    . GLU   B 1 32  ? -26.014 -17.31  -41.44  1   51.358 ? 44  GLU   A N    1 ? 2 
ATOM   2328 C CA   . GLU   B 1 32  ? -25.468 -15.947 -41.429 1   48.843 ? 44  GLU   A CA   1 ? 2 
ATOM   2329 C C    . GLU   B 1 32  ? -25.422 -15.348 -40.009 1   43.681 ? 44  GLU   A C    1 ? 2 
ATOM   2330 O O    . GLU   B 1 32  ? -24.652 -14.41  -39.824 1   43.066 ? 44  GLU   A O    1 ? 2 
ATOM   2331 C CB   . GLU   B 1 32  ? -26.115 -14.974 -42.422 1   47.78  ? 44  GLU   A CB   1 ? 2 
ATOM   2332 H H    . GLU   B 1 32  ? -26.914 -17.427 -41.331 1   53.001 ? 44  GLU   A H    1 c 2 
ATOM   2333 H HA   . GLU   B 1 32  ? -24.527 -16.014 -41.73  1   47.617 ? 44  GLU   A HA   1 c 2 
ATOM   2334 H HB2  . GLU   B 1 32  ? -25.573 -14.523 -42.907 0   30     ? 44  GLU   A HB2  1 c 2 
ATOM   2335 H HB3  . GLU   B 1 32  ? -27.187 -15.158 -42.243 0   30     ? 44  GLU   A HB3  1 c 2 
ATOM   2336 N N    . GLU   B 1 33  ? -26.126 -15.906 -38.997 1   42.001 ? 45  GLU   A N    1 ? 2 
ATOM   2337 C CA   . GLU   B 1 33  ? -26.202 -15.293 -37.664 1   40.169 ? 45  GLU   A CA   1 ? 2 
ATOM   2338 C C    . GLU   B 1 33  ? -24.795 -15.194 -37.05  1   37.442 ? 45  GLU   A C    1 ? 2 
ATOM   2339 O O    . GLU   B 1 33  ? -24.013 -16.156 -37.084 1   36.791 ? 45  GLU   A O    1 ? 2 
ATOM   2340 C CB   . GLU   B 1 33  ? -27.164 -16.046 -36.706 1   43.641 ? 45  GLU   A CB   1 ? 2 
ATOM   2341 C CG   . GLU   B 1 33  ? -28.683 -15.999 -36.956 1   50.812 ? 45  GLU   A CG   1 ? 2 
ATOM   2342 C CD   . GLU   B 1 33  ? -29.642 -15.042 -36.195 1   57.221 ? 45  GLU   A CD   1 ? 2 
ATOM   2343 O OE1  . GLU   B 1 33  ? -29.354 -14.311 -35.232 1   51.189 ? 45  GLU   A OE1  1 ? 2 
ATOM   2344 O OE2  . GLU   B 1 33  ? -30.815 -14.989 -36.619 1   62.893 ? 45  GLU   A OE2  1 ? 2 
ATOM   2345 H H    . GLU   B 1 33  ? -26.572 -16.69  -39.142 1   43.884 ? 45  GLU   A H    1 c 2 
ATOM   2346 H HA   . GLU   B 1 33  ? -26.553 -14.373 -37.777 1   40.47  ? 45  GLU   A HA   1 c 2 
ATOM   2347 H HB2  . GLU   B 1 33  ? -26.907 -16.992 -36.704 1   44.443 ? 45  GLU   A HB2  1 c 2 
ATOM   2348 H HB3  . GLU   B 1 33  ? -27.017 -15.704 -35.8   1   42.491 ? 45  GLU   A HB3  1 c 2 
ATOM   2349 H HG2  . GLU   B 1 33  ? -28.812 -15.823 -37.912 1   52.066 ? 45  GLU   A HG2  1 c 2 
ATOM   2350 H HG3  . GLU   B 1 33  ? -29.026 -16.908 -36.816 1   52.033 ? 45  GLU   A HG3  1 c 2 
ATOM   2351 N N    . THR   B 1 34  ? -24.503 -14.073 -36.373 1   33.133 ? 46  THR   A N    1 ? 2 
ATOM   2352 C CA   . THR   B 1 34  ? -23.347 -13.961 -35.492 1   31.975 ? 46  THR   A CA   1 ? 2 
ATOM   2353 C C    . THR   B 1 34  ? -23.852 -13.4   -34.178 1   32.771 ? 46  THR   A C    1 ? 2 
ATOM   2354 O O    . THR   B 1 34  ? -24.879 -12.742 -34.166 1   33.747 ? 46  THR   A O    1 ? 2 
ATOM   2355 C CB   . THR   B 1 34  ? -22.232 -13.069 -36.037 1   31.005 ? 46  THR   A CB   1 ? 2 
ATOM   2356 O OG1  . THR   B 1 34  ? -22.923 -11.812 -36.152 1   30.433 ? 46  THR   A OG1  1 ? 2 
ATOM   2357 C CG2  . THR   B 1 34  ? -21.68  -13.55  -37.367 1   32.842 ? 46  THR   A CG2  1 ? 2 
ATOM   2358 H H    . THR   B 1 34  ? -25.052 -13.347 -36.463 1   34.308 ? 46  THR   A H    1 c 2 
ATOM   2359 H HA   . THR   B 1 34  ? -22.983 -14.859 -35.336 1   32.081 ? 46  THR   A HA   1 c 2 
ATOM   2360 H HB   . THR   B 1 34  ? -21.502 -12.991 -35.379 1   29.532 ? 46  THR   A HB   1 c 2 
ATOM   2361 H HG1  . THR   B 1 34  ? -23.586 -11.882 -36.712 0   30     ? 46  THR   A HG1  1 c 2 
ATOM   2362 H HG21 . THR   B 1 34  ? -20.914 -13.006 -37.617 1   32.167 ? 46  THR   A HG21 1 c 2 
ATOM   2363 H HG22 . THR   B 1 34  ? -22.367 -13.474 -38.051 1   34.167 ? 46  THR   A HG22 1 c 2 
ATOM   2364 H HG23 . THR   B 1 34  ? -21.404 -14.479 -37.288 1   32.844 ? 46  THR   A HG23 1 c 2 
ATOM   2365 N N    . PRO   B 1 35  ? -23.182 -13.677 -33.044 1   29.622 ? 47  PRO   A N    1 ? 2 
ATOM   2366 C CA   . PRO   B 1 35  ? -23.809 -13.401 -31.757 1   29.839 ? 47  PRO   A CA   1 ? 2 
ATOM   2367 C C    . PRO   B 1 35  ? -23.897 -11.915 -31.454 1   26.681 ? 47  PRO   A C    1 ? 2 
ATOM   2368 O O    . PRO   B 1 35  ? -22.964 -11.153 -31.78  1   28.594 ? 47  PRO   A O    1 ? 2 
ATOM   2369 C CB   . PRO   B 1 35  ? -22.941 -14.172 -30.769 1   28.143 ? 47  PRO   A CB   1 ? 2 
ATOM   2370 C CG   . PRO   B 1 35  ? -21.653 -14.326 -31.527 1   27.819 ? 47  PRO   A CG   1 ? 2 
ATOM   2371 C CD   . PRO   B 1 35  ? -21.931 -14.433 -32.929 1   29.039 ? 47  PRO   A CD   1 ? 2 
ATOM   2372 H HA   . PRO   B 1 35  ? -24.711 -13.785 -31.753 1   30.329 ? 47  PRO   A HA   1 c 2 
ATOM   2373 H HB2  . PRO   B 1 35  ? -22.809 -13.667 -29.944 1   27.649 ? 47  PRO   A HB2  1 c 2 
ATOM   2374 H HB3  . PRO   B 1 35  ? -23.333 -15.042 -30.559 1   29.277 ? 47  PRO   A HB3  1 c 2 
ATOM   2375 H HG2  . PRO   B 1 35  ? -21.076 -13.554 -31.363 1   26.658 ? 47  PRO   A HG2  1 c 2 
ATOM   2376 H HG3  . PRO   B 1 35  ? -21.18  -15.126 -31.223 1   27.578 ? 47  PRO   A HG3  1 c 2 
ATOM   2377 H HD2  . PRO   B 1 35  ? -21.225 -14.027 -33.466 1   28.518 ? 47  PRO   A HD2  1 c 2 
ATOM   2378 H HD3  . PRO   B 1 35  ? -22.057 -15.362 -33.201 1   29.889 ? 47  PRO   A HD3  1 c 2 
ATOM   2379 N N    . MET   B 1 36  ? -24.891 -11.608 -30.649 1   26.701 ? 48  MET   A N    1 ? 2 
ATOM   2380 C CA   . MET   B 1 36  ? -25.234 -10.251 -30.206 1   26.603 ? 48  MET   A CA   1 ? 2 
ATOM   2381 C C    . MET   B 1 36  ? -24.672 -10.089 -28.798 1   27.267 ? 48  MET   A C    1 ? 2 
ATOM   2382 O O    . MET   B 1 36  ? -24.554 -11.066 -28.018 1   26.588 ? 48  MET   A O    1 ? 2 
ATOM   2383 C CB   . MET   B 1 36  ? -26.767 -10.051 -30.145 1   29.978 ? 48  MET   A CB   1 ? 2 
ATOM   2384 C CG   . MET   B 1 36  ? -27.528 -10.138 -31.508 1   33.811 ? 48  MET   A CG   1 ? 2 
ATOM   2385 S SD   . MET   B 1 36  ? -26.937 -8.8    -32.576 1   34.918 ? 48  MET   A SD   1 ? 2 
ATOM   2386 C CE   . MET   B 1 36  ? -27.8   -9.306  -34.072 1   40.515 ? 48  MET   A CE   1 ? 2 
ATOM   2387 H H    . MET   B 1 36  ? -25.41  -12.293 -30.34  1   27.597 ? 48  MET   A H    1 c 2 
ATOM   2388 H HA   . MET   B 1 36  ? -24.819 -9.589  -30.815 1   26.924 ? 48  MET   A HA   1 c 2 
ATOM   2389 H HB2  . MET   B 1 36  ? -27.138 -10.726 -29.538 1   30.501 ? 48  MET   A HB2  1 c 2 
ATOM   2390 H HB3  . MET   B 1 36  ? -26.944 -9.172  -29.747 1   30.147 ? 48  MET   A HB3  1 c 2 
ATOM   2391 H HG2  . MET   B 1 36  ? -27.356 -11.001 -31.935 1   33.638 ? 48  MET   A HG2  1 c 2 
ATOM   2392 H HG3  . MET   B 1 36  ? -28.49  -10.043 -31.364 1   34.771 ? 48  MET   A HG3  1 c 2 
ATOM   2393 H HE1  . MET   B 1 36  ? -27.619 -8.664  -34.784 1   39.989 ? 48  MET   A HE1  1 c 2 
ATOM   2394 H HE2  . MET   B 1 36  ? -27.489 -10.189 -34.344 1   39.482 ? 48  MET   A HE2  1 c 2 
ATOM   2395 H HE3  . MET   B 1 36  ? -28.759 -9.338  -33.899 1   40.794 ? 48  MET   A HE3  1 c 2 
ATOM   2396 N N    . ILE   B 1 37  ? -24.395 -8.828  -28.392 1   25.752 ? 49  ILE   A N    1 ? 2 
ATOM   2397 C CA   . ILE   B 1 37  ? -24.016 -8.538  -27.029 1   24.319 ? 49  ILE   A CA   1 ? 2 
ATOM   2398 C C    . ILE   B 1 37  ? -25.088 -9.114  -26.103 1   23.942 ? 49  ILE   A C    1 ? 2 
ATOM   2399 O O    . ILE   B 1 37  ? -26.266 -8.812  -26.245 1   24.076 ? 49  ILE   A O    1 ? 2 
ATOM   2400 C CB   . ILE   B 1 37  ? -23.802 -7.026  -26.782 1   25.376 ? 49  ILE   A CB   1 ? 2 
ATOM   2401 C CG1  . ILE   B 1 37  ? -22.599 -6.58   -27.482 1   26.244 ? 49  ILE   A CG1  1 ? 2 
ATOM   2402 C CG2  . ILE   B 1 37  ? -23.65  -6.753  -25.282 1   26.963 ? 49  ILE   A CG2  1 ? 2 
ATOM   2403 C CD1  . ILE   B 1 37  ? -22.288 -5.124  -27.4   1   30.362 ? 49  ILE   A CD1  1 ? 2 
ATOM   2404 H H    . ILE   B 1 37  ? -24.455 -8.14   -28.99  1   26.075 ? 49  ILE   A H    1 c 2 
ATOM   2405 H HA   . ILE   B 1 37  ? -23.173 -8.997  -26.847 1   23.363 ? 49  ILE   A HA   1 c 2 
ATOM   2406 H HB   . ILE   B 1 37  ? -24.574 -6.532  -27.124 1   26.848 ? 49  ILE   A HB   1 c 2 
ATOM   2407 H HG12 . ILE   B 1 37  ? -21.835 -7.077  -27.125 1   25.558 ? 49  ILE   A HG12 1 c 2 
ATOM   2408 H HG13 . ILE   B 1 37  ? -22.686 -6.82   -28.427 1   26.613 ? 49  ILE   A HG13 1 c 2 
ATOM   2409 H HG21 . ILE   B 1 37  ? -23.353 -5.839  -25.142 1   26.585 ? 49  ILE   A HG21 1 c 2 
ATOM   2410 H HG22 . ILE   B 1 37  ? -22.996 -7.365  -24.905 1   25.691 ? 49  ILE   A HG22 1 c 2 
ATOM   2411 H HG23 . ILE   B 1 37  ? -24.504 -6.882  -24.837 1   27.549 ? 49  ILE   A HG23 1 c 2 
ATOM   2412 H HD11 . ILE   B 1 37  ? -23.118 -4.611  -27.388 1   30.207 ? 49  ILE   A HD11 1 c 2 
ATOM   2413 H HD12 . ILE   B 1 37  ? -21.756 -4.861  -28.175 1   28.86  ? 49  ILE   A HD12 1 c 2 
ATOM   2414 H HD13 . ILE   B 1 37  ? -21.783 -4.941  -26.585 1   28.675 ? 49  ILE   A HD13 1 c 2 
ATOM   2415 N N    . GLY   B 1 38  ? -24.646 -9.781  -25.036 1   23.784 ? 50  GLY   A N    1 ? 2 
ATOM   2416 C CA   . GLY   B 1 38  ? -25.533 -10.383 -24.04  1   26.004 ? 50  GLY   A CA   1 ? 2 
ATOM   2417 C C    . GLY   B 1 38  ? -25.676 -11.912 -24.207 1   28.709 ? 50  GLY   A C    1 ? 2 
ATOM   2418 O O    . GLY   B 1 38  ? -26.212 -12.584 -23.287 1   26.902 ? 50  GLY   A O    1 ? 2 
ATOM   2419 H H    . GLY   B 1 38  ? -23.744 -9.867  -24.916 1   22.863 ? 50  GLY   A H    1 c 2 
ATOM   2420 H HA2  . GLY   B 1 38  ? -25.177 -10.188 -23.142 1   26.172 ? 50  GLY   A HA2  1 c 2 
ATOM   2421 H HA3  . GLY   B 1 38  ? -26.423 -9.965  -24.106 1   27.392 ? 50  GLY   A HA3  1 c 2 
ATOM   2422 N N    . ASP   B 1 39  ? -25.47  -12.39  -25.443 1   26.472 ? 51  ASP   A N    1 ? 2 
ATOM   2423 C CA   . ASP   B 1 39  ? -25.707 -13.792 -25.794 1   28.215 ? 51  ASP   A CA   1 ? 2 
ATOM   2424 C C    . ASP   B 1 39  ? -24.73  -14.661 -25     1   26.934 ? 51  ASP   A C    1 ? 2 
ATOM   2425 O O    . ASP   B 1 39  ? -23.575 -14.268 -24.738 1   24.484 ? 51  ASP   A O    1 ? 2 
ATOM   2426 C CB   . ASP   B 1 39  ? -25.533 -14.067 -27.284 1   26.781 ? 51  ASP   A CB   1 ? 2 
ATOM   2427 C CG   . ASP   B 1 39  ? -26.643 -13.586 -28.217 1   29.643 ? 51  ASP   A CG   1 ? 2 
ATOM   2428 O OD1  . ASP   B 1 39  ? -27.72  -13.168 -27.717 1   30.822 ? 51  ASP   A OD1  1 ? 2 
ATOM   2429 O OD2  . ASP   B 1 39  ? -26.446 -13.713 -29.458 1   31.501 ? 51  ASP   A OD2  1 ? 2 
ATOM   2430 H H    . ASP   B 1 39  ? -25.172 -11.825 -26.096 1   26.323 ? 51  ASP   A H    1 c 2 
ATOM   2431 H HA   . ASP   B 1 39  ? -26.626 -14.027 -25.533 1   29.154 ? 51  ASP   A HA   1 c 2 
ATOM   2432 H HB2  . ASP   B 1 39  ? -24.695 -13.653 -27.577 1   26.121 ? 51  ASP   A HB2  1 c 2 
ATOM   2433 H HB3  . ASP   B 1 39  ? -25.443 -15.034 -27.41  1   27.908 ? 51  ASP   A HB3  1 c 2 
ATOM   2434 N N    . LYS   B 1 40  ? -25.218 -15.85  -24.627 1   29.253 ? 52  LYS   A N    1 ? 2 
ATOM   2435 C CA   . LYS   B 1 40  ? -24.358 -16.82  -23.969 1   30.196 ? 52  LYS   A CA   1 ? 2 
ATOM   2436 C C    . LYS   B 1 40  ? -23.678 -17.585 -25.076 1   27.504 ? 52  LYS   A C    1 ? 2 
ATOM   2437 O O    . LYS   B 1 40  ? -24.344 -18.087 -25.987 1   33.427 ? 52  LYS   A O    1 ? 2 
ATOM   2438 C CB   . LYS   B 1 40  ? -25.233 -17.808 -23.192 1   35.502 ? 52  LYS   A CB   1 ? 2 
ATOM   2439 C CG   . LYS   B 1 40  ? -24.531 -18.569 -22.088 1   39.234 ? 52  LYS   A CG   1 ? 2 
ATOM   2440 C CD   . LYS   B 1 40  ? -25.53  -19.437 -21.33  1   48.316 ? 52  LYS   A CD   1 ? 2 
ATOM   2441 C CE   . LYS   B 1 40  ? -24.925 -19.853 -20.014 1   53.896 ? 52  LYS   A CE   1 ? 2 
ATOM   2442 N NZ   . LYS   B 1 40  ? -25.361 -21.192 -19.619 1   58.969 ? 52  LYS   A NZ   1 ? 2 
ATOM   2443 H H    . LYS   B 1 40  ? -26.093 -16.061 -24.787 1   30.673 ? 52  LYS   A H    1 c 2 
ATOM   2444 H HA   . LYS   B 1 40  ? -23.697 -16.358 -23.392 1   28.968 ? 52  LYS   A HA   1 c 2 
ATOM   2445 H HB2  . LYS   B 1 40  ? -25.98  -17.312 -22.794 1   36.234 ? 52  LYS   A HB2  1 c 2 
ATOM   2446 H HB3  . LYS   B 1 40  ? -25.613 -18.458 -23.821 1   36.387 ? 52  LYS   A HB3  1 c 2 
ATOM   2447 H HG2  . LYS   B 1 40  ? -23.832 -19.136 -22.481 1   39.134 ? 52  LYS   A HG2  1 c 2 
ATOM   2448 H HG3  . LYS   B 1 40  ? -24.112 -17.93  -21.471 1   38.87  ? 52  LYS   A HG3  1 c 2 
ATOM   2449 H HD2  . LYS   B 1 40  ? -26.354 -18.93  -21.165 1   48.366 ? 52  LYS   A HD2  1 c 2 
ATOM   2450 H HD3  . LYS   B 1 40  ? -25.746 -20.234 -21.859 1   48.778 ? 52  LYS   A HD3  1 c 2 
ATOM   2451 H HE2  . LYS   B 1 40  ? -23.953 -19.846 -20.08  1   51.625 ? 52  LYS   A HE2  1 c 2 
ATOM   2452 H HE3  . LYS   B 1 40  ? -25.185 -19.218 -19.322 1   53.402 ? 52  LYS   A HE3  1 c 2 
ATOM   2453 H HZ1  . LYS   B 1 40  ? -25.046 -21.803 -20.209 1   58.114 ? 52  LYS   A HZ1  1 c 2 
ATOM   2454 H HZ2  . LYS   B 1 40  ? -26.266 -21.228 -19.607 1   59.655 ? 52  LYS   A HZ2  1 c 2 
ATOM   2455 H HZ3  . LYS   B 1 40  ? -25.044 -21.386 -18.793 1   58.867 ? 52  LYS   A HZ3  1 c 2 
ATOM   2456 N N    . VAL   B 1 41  ? -22.342 -17.616 -25.031 1   28.456 ? 53  VAL   A N    1 ? 2 
ATOM   2457 C CA   . VAL   B 1 41  ? -21.513 -18.128 -26.092 1   28.274 ? 53  VAL   A CA   1 ? 2 
ATOM   2458 C C    . VAL   B 1 41  ? -20.722 -19.31  -25.518 1   27.541 ? 53  VAL   A C    1 ? 2 
ATOM   2459 O O    . VAL   B 1 41  ? -20.205 -19.206 -24.43  1   25.703 ? 53  VAL   A O    1 ? 2 
ATOM   2460 C CB   . VAL   B 1 41  ? -20.596 -16.988 -26.579 1   29.181 ? 53  VAL   A CB   1 ? 2 
ATOM   2461 C CG1  . VAL   B 1 41  ? -19.61  -17.429 -27.599 1   30.86  ? 53  VAL   A CG1  1 ? 2 
ATOM   2462 C CG2  . VAL   B 1 41  ? -21.456 -15.855 -27.196 1   29.325 ? 53  VAL   A CG2  1 ? 2 
ATOM   2463 H H    . VAL   B 1 41  ? -21.927 -17.297 -24.282 1   27.322 ? 53  VAL   A H    1 c 2 
ATOM   2464 H HA   . VAL   B 1 41  ? -22.077 -18.433 -26.829 1   29.311 ? 53  VAL   A HA   1 c 2 
ATOM   2465 H HB   . VAL   B 1 41  ? -20.113 -16.635 -25.796 1   28.27  ? 53  VAL   A HB   1 c 2 
ATOM   2466 H HG11 . VAL   B 1 41  ? -20.046 -18.02  -28.234 1   31.221 ? 53  VAL   A HG11 1 c 2 
ATOM   2467 H HG12 . VAL   B 1 41  ? -18.882 -17.903 -27.164 1   29.887 ? 53  VAL   A HG12 1 c 2 
ATOM   2468 H HG13 . VAL   B 1 41  ? -19.257 -16.655 -28.068 1   29.237 ? 53  VAL   A HG13 1 c 2 
ATOM   2469 H HG21 . VAL   B 1 41  ? -20.875 -15.172 -27.57  1   28.22  ? 53  VAL   A HG21 1 c 2 
ATOM   2470 H HG22 . VAL   B 1 41  ? -22.015 -15.459 -26.507 1   29.476 ? 53  VAL   A HG22 1 c 2 
ATOM   2471 H HG23 . VAL   B 1 41  ? -22.019 -16.22  -27.899 1   30.182 ? 53  VAL   A HG23 1 c 2 
ATOM   2472 N N    . TYR   B 1 42  ? -20.637 -20.353 -26.342 1   28.614 ? 54  TYR   A N    1 ? 2 
ATOM   2473 C CA   . TYR   B 1 42  ? -19.97  -21.616 -26.012 1   31.512 ? 54  TYR   A CA   1 ? 2 
ATOM   2474 C C    . TYR   B 1 42  ? -18.853 -21.822 -27.037 1   27.362 ? 54  TYR   A C    1 ? 2 
ATOM   2475 O O    . TYR   B 1 42  ? -19.126 -21.899 -28.214 1   29.486 ? 54  TYR   A O    1 ? 2 
ATOM   2476 C CB   . TYR   B 1 42  ? -20.986 -22.755 -26.153 1   35.5   ? 54  TYR   A CB   1 ? 2 
ATOM   2477 C CG   . TYR   B 1 42  ? -22.193 -22.718 -25.221 1   41.394 ? 54  TYR   A CG   1 ? 2 
ATOM   2478 C CD1  . TYR   B 1 42  ? -23.31  -21.966 -25.563 1   43.097 ? 54  TYR   A CD1  1 ? 2 
ATOM   2479 C CD2  . TYR   B 1 42  ? -22.257 -23.483 -24.054 1   44.444 ? 54  TYR   A CD2  1 ? 2 
ATOM   2480 C CE1  . TYR   B 1 42  ? -24.413 -21.913 -24.732 1   47.969 ? 54  TYR   A CE1  1 ? 2 
ATOM   2481 C CE2  . TYR   B 1 42  ? -23.343 -23.424 -23.203 1   46.073 ? 54  TYR   A CE2  1 ? 2 
ATOM   2482 C CZ   . TYR   B 1 42  ? -24.437 -22.647 -23.555 1   50.639 ? 54  TYR   A CZ   1 ? 2 
ATOM   2483 O OH   . TYR   B 1 42  ? -25.581 -22.568 -22.81  1   51.304 ? 54  TYR   A OH   1 ? 2 
ATOM   2484 H H    . TYR   B 1 42  ? -21.016 -20.278 -27.171 1   29.324 ? 54  TYR   A H    1 c 2 
ATOM   2485 H HA   . TYR   B 1 42  ? -19.601 -21.588 -25.09  1   30.363 ? 54  TYR   A HA   1 c 2 
ATOM   2486 H HB2  . TYR   B 1 42  ? -21.312 -22.759 -27.08  1   36.394 ? 54  TYR   A HB2  1 c 2 
ATOM   2487 H HB3  . TYR   B 1 42  ? -20.512 -23.604 -26.012 1   36.983 ? 54  TYR   A HB3  1 c 2 
ATOM   2488 H HD1  . TYR   B 1 42  ? -23.299 -21.449 -26.352 1   42.513 ? 54  TYR   A HD1  1 c 2 
ATOM   2489 H HD2  . TYR   B 1 42  ? -21.507 -23.998 -23.802 1   44.219 ? 54  TYR   A HD2  1 c 2 
ATOM   2490 H HE1  . TYR   B 1 42  ? -25.157 -21.387 -24.971 1   47.446 ? 54  TYR   A HE1  1 c 2 
ATOM   2491 H HE2  . TYR   B 1 42  ? -23.361 -23.94  -22.415 1   48.356 ? 54  TYR   A HE2  1 c 2 
ATOM   2492 H HH   . TYR   B 1 42  ? -26.146 -22.088 -23.201 0   30     ? 54  TYR   A HH   1 c 2 
ATOM   2493 N N    . VAL   B 1 43  ? -17.596 -21.921 -26.583 1   28.925 ? 55  VAL   A N    1 ? 2 
ATOM   2494 C CA   . VAL   B 1 43  ? -16.458 -22.112 -27.483 1   26.869 ? 55  VAL   A CA   1 ? 2 
ATOM   2495 C C    . VAL   B 1 43  ? -15.534 -23.231 -26.98  1   29.848 ? 55  VAL   A C    1 ? 2 
ATOM   2496 O O    . VAL   B 1 43  ? -15.525 -23.55  -25.804 1   29.912 ? 55  VAL   A O    1 ? 2 
ATOM   2497 C CB   . VAL   B 1 43  ? -15.645 -20.818 -27.638 1   25.081 ? 55  VAL   A CB   1 ? 2 
ATOM   2498 C CG1  . VAL   B 1 43  ? -16.511 -19.691 -28.176 1   25.25  ? 55  VAL   A CG1  1 ? 2 
ATOM   2499 C CG2  . VAL   B 1 43  ? -14.91  -20.445 -26.36  1   24.592 ? 55  VAL   A CG2  1 ? 2 
ATOM   2500 H H    . VAL   B 1 43  ? -17.441 -21.869 -25.684 1   27.768 ? 55  VAL   A H    1 c 2 
ATOM   2501 H HA   . VAL   B 1 43  ? -16.8   -22.367 -28.359 1   28.408 ? 55  VAL   A HA   1 c 2 
ATOM   2502 H HB   . VAL   B 1 43  ? -14.956 -20.999 -28.32  1   25.274 ? 55  VAL   A HB   1 c 2 
ATOM   2503 H HG11 . VAL   B 1 43  ? -17.116 -19.387 -27.479 1   24.925 ? 55  VAL   A HG11 1 c 2 
ATOM   2504 H HG12 . VAL   B 1 43  ? -17.027 -20.011 -28.934 1   25.953 ? 55  VAL   A HG12 1 c 2 
ATOM   2505 H HG13 . VAL   B 1 43  ? -15.945 -18.953 -28.458 1   23.884 ? 55  VAL   A HG13 1 c 2 
ATOM   2506 H HG21 . VAL   B 1 43  ? -14.597 -19.529 -26.425 1   23.17  ? 55  VAL   A HG21 1 c 2 
ATOM   2507 H HG22 . VAL   B 1 43  ? -14.149 -21.037 -26.235 1   24.781 ? 55  VAL   A HG22 1 c 2 
ATOM   2508 H HG23 . VAL   B 1 43  ? -15.511 -20.527 -25.602 1   24.882 ? 55  VAL   A HG23 1 c 2 
ATOM   2509 N N    . HIS   B 1 44  ? -14.756 -23.775 -27.922 1   29.053 ? 56  HIS   A N    1 ? 2 
ATOM   2510 C CA   . HIS   B 1 44  ? -13.512 -24.475 -27.611 1   31.322 ? 56  HIS   A CA   1 ? 2 
ATOM   2511 C C    . HIS   B 1 44  ? -12.401 -23.603 -28.157 1   29.231 ? 56  HIS   A C    1 ? 2 
ATOM   2512 O O    . HIS   B 1 44  ? -12.594 -22.89  -29.129 1   30.18  ? 56  HIS   A O    1 ? 2 
ATOM   2513 C CB   . HIS   B 1 44  ? -13.428 -25.902 -28.193 1   35.174 ? 56  HIS   A CB   1 ? 2 
ATOM   2514 C CG   . HIS   B 1 44  ? -14.008 -26.927 -27.291 1   38.638 ? 56  HIS   A CG   1 ? 2 
ATOM   2515 N ND1  . HIS   B 1 44  ? -13.504 -27.095 -26.024 1   39.728 ? 56  HIS   A ND1  1 ? 2 
ATOM   2516 C CD2  . HIS   B 1 44  ? -15.077 -27.714 -27.374 1   42.241 ? 56  HIS   A CD2  1 ? 2 
ATOM   2517 C CE1  . HIS   B 1 44  ? -14.235 -28.016 -25.394 1   43.479 ? 56  HIS   A CE1  1 ? 2 
ATOM   2518 N NE2  . HIS   B 1 44  ? -15.215 -28.377 -26.181 1   43.238 ? 56  HIS   A NE2  1 ? 2 
ATOM   2519 H H    . HIS   B 1 44  ? -15.01  -23.709 -28.797 1   30.039 ? 56  HIS   A H    1 c 2 
ATOM   2520 H HA   . HIS   B 1 44  ? -13.415 -24.52  -26.629 1   30.988 ? 56  HIS   A HA   1 c 2 
ATOM   2521 H HB2  . HIS   B 1 44  ? -13.906 -25.922 -29.051 1   35.772 ? 56  HIS   A HB2  1 c 2 
ATOM   2522 H HB3  . HIS   B 1 44  ? -12.486 -26.121 -28.363 1   35.278 ? 56  HIS   A HB3  1 c 2 
ATOM   2523 H HD1  . HIS   B 1 44  ? -12.856 -26.681 -25.697 0   30     ? 56  HIS   A HD1  1 c 2 
ATOM   2524 H HD2  . HIS   B 1 44  ? -15.651 -27.796 -28.11  1   42.516 ? 56  HIS   A HD2  1 c 2 
ATOM   2525 H HE1  . HIS   B 1 44  ? -14.084 -28.331 -24.52  1   43.442 ? 56  HIS   A HE1  1 c 2 
ATOM   2526 H HE2  . HIS   B 1 44  ? -15.868 -28.967 -26.095 0   30     ? 56  HIS   A HE2  1 c 2 
ATOM   2527 N N    . TYR   B 1 45  ? -11.26  -23.59  -27.477 1   27.794 ? 57  TYR   A N    1 ? 2 
ATOM   2528 C CA   . TYR   B 1 45  ? -10.17  -22.703 -27.888 1   24.998 ? 57  TYR   A CA   1 ? 2 
ATOM   2529 C C    . TYR   B 1 45  ? -8.841  -23.271 -27.368 1   26.619 ? 57  TYR   A C    1 ? 2 
ATOM   2530 O O    . TYR   B 1 45  ? -8.797  -24.062 -26.429 1   27.382 ? 57  TYR   A O    1 ? 2 
ATOM   2531 C CB   . TYR   B 1 45  ? -10.266 -21.222 -27.427 1   23.538 ? 57  TYR   A CB   1 ? 2 
ATOM   2532 C CG   . TYR   B 1 45  ? -9.993  -21.016 -25.945 1   22.182 ? 57  TYR   A CG   1 ? 2 
ATOM   2533 C CD1  . TYR   B 1 45  ? -10.946 -21.295 -24.969 1   24.606 ? 57  TYR   A CD1  1 ? 2 
ATOM   2534 C CD2  . TYR   B 1 45  ? -8.707  -20.813 -25.481 1   22.368 ? 57  TYR   A CD2  1 ? 2 
ATOM   2535 C CE1  . TYR   B 1 45  ? -10.65  -21.276 -23.611 1   23.842 ? 57  TYR   A CE1  1 ? 2 
ATOM   2536 C CE2  . TYR   B 1 45  ? -8.391  -20.808 -24.126 1   22.585 ? 57  TYR   A CE2  1 ? 2 
ATOM   2537 C CZ   . TYR   B 1 45  ? -9.368  -21.021 -23.165 1   25.603 ? 57  TYR   A CZ   1 ? 2 
ATOM   2538 O OH   . TYR   B 1 45  ? -9.07   -20.952 -21.792 1   23.062 ? 57  TYR   A OH   1 ? 2 
ATOM   2539 H H    . TYR   B 1 45  ? -11.148 -24.133 -26.75  1   28.414 ? 57  TYR   A H    1 c 2 
ATOM   2540 H HA   . TYR   B 1 45  ? -10.136 -22.71  -28.879 1   26.006 ? 57  TYR   A HA   1 c 2 
ATOM   2541 H HB2  . TYR   B 1 45  ? -9.622  -20.691 -27.946 1   22.6   ? 57  TYR   A HB2  1 c 2 
ATOM   2542 H HB3  . TYR   B 1 45  ? -11.168 -20.889 -27.634 1   23.015 ? 57  TYR   A HB3  1 c 2 
ATOM   2543 H HD1  . TYR   B 1 45  ? -11.829 -21.495 -25.239 1   24.484 ? 57  TYR   A HD1  1 c 2 
ATOM   2544 H HD2  . TYR   B 1 45  ? -8.012  -20.689 -26.108 1   22.154 ? 57  TYR   A HD2  1 c 2 
ATOM   2545 H HE1  . TYR   B 1 45  ? -11.339 -21.413 -22.984 1   25.06  ? 57  TYR   A HE1  1 c 2 
ATOM   2546 H HE2  . TYR   B 1 45  ? -7.512  -20.606 -23.856 1   22.809 ? 57  TYR   A HE2  1 c 2 
ATOM   2547 H HH   . TYR   B 1 45  ? -9.792  -21.117 -21.349 0   30     ? 57  TYR   A HH   1 c 2 
ATOM   2548 N N    . LYS   B 1 46  ? -7.788  -22.785 -28.014 1   26.072 ? 58  LYS   A N    1 ? 2 
ATOM   2549 C CA   . LYS   B 1 46  ? -6.429  -22.937 -27.577 1   27.971 ? 58  LYS   A CA   1 ? 2 
ATOM   2550 C C    . LYS   B 1 46  ? -5.751  -21.615 -27.824 1   28.913 ? 58  LYS   A C    1 ? 2 
ATOM   2551 O O    . LYS   B 1 46  ? -6.055  -20.846 -28.741 1   26.764 ? 58  LYS   A O    1 ? 2 
ATOM   2552 C CB   . LYS   B 1 46  ? -5.485  -23.929 -28.271 1   33.241 ? 58  LYS   A CB   1 ? 2 
ATOM   2553 C CG   . LYS   B 1 46  ? -5.986  -24.752 -29.318 1   34.401 ? 58  LYS   A CG   1 ? 2 
ATOM   2554 C CD   . LYS   B 1 46  ? -5.174  -26.014 -29.485 1   38.157 ? 58  LYS   A CD   1 ? 2 
ATOM   2555 C CE   . LYS   B 1 46  ? -5.224  -26.458 -30.876 1   40.513 ? 58  LYS   A CE   1 ? 2 
ATOM   2556 N NZ   . LYS   B 1 46  ? -4.505  -27.709 -31.037 1   40.14  ? 58  LYS   A NZ   1 ? 2 
ATOM   2557 H H    . LYS   B 1 46  ? -7.936  -22.325 -28.791 1   26.113 ? 58  LYS   A H    1 c 2 
ATOM   2558 H HA   . LYS   B 1 46  ? -6.433  -23.121 -26.605 1   28.638 ? 58  LYS   A HA   1 c 2 
ATOM   2559 H HB2  . LYS   B 1 46  ? -4.728  -23.421 -28.635 1   31.818 ? 58  LYS   A HB2  1 c 2 
ATOM   2560 H HB3  . LYS   B 1 46  ? -5.122  -24.52  -27.577 1   33.045 ? 58  LYS   A HB3  1 c 2 
ATOM   2561 H HG2  . LYS   B 1 46  ? -6.917  -24.991 -29.117 1   34.996 ? 58  LYS   A HG2  1 c 2 
ATOM   2562 H HG3  . LYS   B 1 46  ? -5.974  -24.241 -30.156 1   34.5   ? 58  LYS   A HG3  1 c 2 
ATOM   2563 H HD2  . LYS   B 1 46  ? -4.242  -25.846 -29.232 1   37.847 ? 58  LYS   A HD2  1 c 2 
ATOM   2564 H HD3  . LYS   B 1 46  ? -5.537  -26.719 -28.905 1   38.95  ? 58  LYS   A HD3  1 c 2 
ATOM   2565 H HE2  . LYS   B 1 46  ? -6.15   -26.583 -31.151 1   39.923 ? 58  LYS   A HE2  1 c 2 
ATOM   2566 H HE3  . LYS   B 1 46  ? -4.82   -25.784 -31.451 1   38.907 ? 58  LYS   A HE3  1 c 2 
ATOM   2567 H HZ1  . LYS   B 1 46  ? -4.928  -28.367 -30.579 1   41.96  ? 58  LYS   A HZ1  1 c 2 
ATOM   2568 H HZ2  . LYS   B 1 46  ? -3.66   -27.623 -30.72  1   40.894 ? 58  LYS   A HZ2  1 c 2 
ATOM   2569 H HZ3  . LYS   B 1 46  ? -4.471  -27.932 -31.914 1   42.242 ? 58  LYS   A HZ3  1 c 2 
ATOM   2570 N N    . GLY   B 1 47  ? -4.842  -21.305 -26.908 1   25.832 ? 59  GLY   A N    1 ? 2 
ATOM   2571 C CA   . GLY   B 1 47  ? -4.228  -19.999 -26.961 1   25.1   ? 59  GLY   A CA   1 ? 2 
ATOM   2572 C C    . GLY   B 1 47  ? -2.808  -20.07  -26.454 1   25.065 ? 59  GLY   A C    1 ? 2 
ATOM   2573 O O    . GLY   B 1 47  ? -2.456  -21.018 -25.747 1   26.001 ? 59  GLY   A O    1 ? 2 
ATOM   2574 H H    . GLY   B 1 47  ? -4.601  -21.898 -26.255 1   27.211 ? 59  GLY   A H    1 c 2 
ATOM   2575 H HA2  . GLY   B 1 47  ? -4.231  -19.672 -27.888 1   24.816 ? 59  GLY   A HA2  1 c 2 
ATOM   2576 H HA3  . GLY   B 1 47  ? -4.75   -19.37  -26.409 1   23.886 ? 59  GLY   A HA3  1 c 2 
ATOM   2577 N N    . LYS   B 1 48  ? -2.012  -19.038 -26.772 1   21.609 ? 60  LYS   A N    1 ? 2 
ATOM   2578 C CA   . LYS   B 1 48  ? -0.632  -19.01  -26.419 1   21.69  ? 60  LYS   A CA   1 ? 2 
ATOM   2579 C C    . LYS   B 1 48  ? -0.121  -17.576 -26.474 1   21.605 ? 60  LYS   A C    1 ? 2 
ATOM   2580 O O    . LYS   B 1 48  ? -0.711  -16.698 -27.133 1   22.644 ? 60  LYS   A O    1 ? 2 
ATOM   2581 C CB   . LYS   B 1 48  ? 0.302   -19.911 -27.216 1   24.8   ? 60  LYS   A CB   1 ? 2 
ATOM   2582 C CG   . LYS   B 1 48  ? 0.371   -19.543 -28.676 1   26.977 ? 60  LYS   A CG   1 ? 2 
ATOM   2583 C CD   . LYS   B 1 48  ? 1.349   -20.453 -29.391 1   31.847 ? 60  LYS   A CD   1 ? 2 
ATOM   2584 C CE   . LYS   B 1 48  ? 1.505   -20.126 -30.826 1   36.218 ? 60  LYS   A CE   1 ? 2 
ATOM   2585 N NZ   . LYS   B 1 48  ? 2.618   -20.839 -31.449 1   40.534 ? 60  LYS   A NZ   1 ? 2 
ATOM   2586 H H    . LYS   B 1 48  ? -2.364  -18.33  -27.232 1   21.473 ? 60  LYS   A H    1 c 2 
ATOM   2587 H HA   . LYS   B 1 48  ? -0.569  -19.306 -25.477 1   22.349 ? 60  LYS   A HA   1 c 2 
ATOM   2588 H HB2  . LYS   B 1 48  ? 1.204   -19.858 -26.834 1   25.306 ? 60  LYS   A HB2  1 c 2 
ATOM   2589 H HB3  . LYS   B 1 48  ? -0.006  -20.838 -27.139 1   25.797 ? 60  LYS   A HB3  1 c 2 
ATOM   2590 H HG2  . LYS   B 1 48  ? -0.521  -19.636 -29.077 1   26.86  ? 60  LYS   A HG2  1 c 2 
ATOM   2591 H HG3  . LYS   B 1 48  ? 0.663   -18.611 -28.766 1   26.5   ? 60  LYS   A HG3  1 c 2 
ATOM   2592 H HD2  . LYS   B 1 48  ? 2.225   -20.386 -28.952 1   32.245 ? 60  LYS   A HD2  1 c 2 
ATOM   2593 H HD3  . LYS   B 1 48  ? 1.04    -21.381 -29.308 1   32.692 ? 60  LYS   A HD3  1 c 2 
ATOM   2594 H HE2  . LYS   B 1 48  ? 0.683   -20.352 -31.298 1   35.812 ? 60  LYS   A HE2  1 c 2 
ATOM   2595 H HE3  . LYS   B 1 48  ? 1.652   -19.168 -30.923 1   35.04  ? 60  LYS   A HE3  1 c 2 
ATOM   2596 H HZ1  . LYS   B 1 48  ? 2.505   -21.732 -31.348 1   40.752 ? 60  LYS   A HZ1  1 c 2 
ATOM   2597 H HZ2  . LYS   B 1 48  ? 3.397   -20.592 -31.058 1   39.971 ? 60  LYS   A HZ2  1 c 2 
ATOM   2598 H HZ3  . LYS   B 1 48  ? 2.653   -20.641 -32.332 1   40.593 ? 60  LYS   A HZ3  1 c 2 
ATOM   2599 N N    . LEU   B 1 49  ? 0.932   -17.321 -25.699 1   21.945 ? 61  LEU   A N    1 ? 2 
ATOM   2600 C CA   . LEU   B 1 49  ? 1.707   -16.093 -25.883 1   24.905 ? 61  LEU   A CA   1 ? 2 
ATOM   2601 C C    . LEU   B 1 49  ? 2.388   -16.26  -27.228 1   32.34  ? 61  LEU   A C    1 ? 2 
ATOM   2602 O O    . LEU   B 1 49  ? 2.767   -17.38  -27.609 1   31.12  ? 61  LEU   A O    1 ? 2 
ATOM   2603 C CB   . LEU   B 1 49  ? 2.717   -15.844 -24.753 1   27.937 ? 61  LEU   A CB   1 ? 2 
ATOM   2604 C CG   . LEU   B 1 49  ? 2.067   -15.784 -23.369 1   28.116 ? 61  LEU   A CG   1 ? 2 
ATOM   2605 C CD1  . LEU   B 1 49  ? 3.054   -15.655 -22.207 1   35.467 ? 61  LEU   A CD1  1 ? 2 
ATOM   2606 C CD2  . LEU   B 1 49  ? 0.974   -14.708 -23.362 1   27.37  ? 61  LEU   A CD2  1 ? 2 
ATOM   2607 H H    . LEU   B 1 49  ? 1.182   -17.917 -25.053 1   23.165 ? 61  LEU   A H    1 c 2 
ATOM   2608 H HA   . LEU   B 1 49  ? 1.079   -15.328 -25.936 1   24.815 ? 61  LEU   A HA   1 c 2 
ATOM   2609 H HB2  . LEU   B 1 49  ? 3.379   -16.572 -24.759 1   28.627 ? 61  LEU   A HB2  1 c 2 
ATOM   2610 H HB3  . LEU   B 1 49  ? 3.175   -14.989 -24.925 1   27.534 ? 61  LEU   A HB3  1 c 2 
ATOM   2611 H HG   . LEU   B 1 49  ? 1.601   -16.648 -23.232 1   29.208 ? 61  LEU   A HG   1 c 2 
ATOM   2612 H HD11 . LEU   B 1 49  ? 3.661   -16.414 -22.211 1   34.27  ? 61  LEU   A HD11 1 c 2 
ATOM   2613 H HD12 . LEU   B 1 49  ? 2.566   -15.637 -21.366 1   33.087 ? 61  LEU   A HD12 1 c 2 
ATOM   2614 H HD13 . LEU   B 1 49  ? 3.563   -14.833 -22.302 1   33.377 ? 61  LEU   A HD13 1 c 2 
ATOM   2615 H HD21 . LEU   B 1 49  ? 0.155   -15.073 -23.735 1   26.773 ? 61  LEU   A HD21 1 c 2 
ATOM   2616 H HD22 . LEU   B 1 49  ? 1.262   -13.948 -23.896 1   27.117 ? 61  LEU   A HD22 1 c 2 
ATOM   2617 H HD23 . LEU   B 1 49  ? 0.811   -14.416 -22.449 1   27.116 ? 61  LEU   A HD23 1 c 2 
ATOM   2618 N N    . SER   B 1 50  ? 2.518   -15.169 -27.996 1   34.576 ? 62  SER   A N    1 ? 2 
ATOM   2619 C CA   . SER   B 1 50  ? 3.232   -15.315 -29.268 1   40.778 ? 62  SER   A CA   1 ? 2 
ATOM   2620 C C    . SER   B 1 50  ? 4.698   -15.749 -28.993 1   45.018 ? 62  SER   A C    1 ? 2 
ATOM   2621 O O    . SER   B 1 50  ? 5.295   -16.431 -29.806 1   52.162 ? 62  SER   A O    1 ? 2 
ATOM   2622 C CB   . SER   B 1 50  ? 3.147   -14.019 -30.062 1   40.176 ? 62  SER   A CB   1 ? 2 
ATOM   2623 O OG   . SER   B 1 50  ? 3.892   -13.075 -29.31  1   41.42  ? 62  SER   A OG   1 ? 2 
ATOM   2624 H H    . SER   B 1 50  ? 2.178   -14.358 -27.745 1   34.053 ? 62  SER   A H    1 c 2 
ATOM   2625 H HA   . SER   B 1 50  ? 2.789   -16.031 -29.791 1   40.371 ? 62  SER   A HA   1 c 2 
ATOM   2626 H HB2  . SER   B 1 50  ? 3.541   -14.137 -30.947 1   41.813 ? 62  SER   A HB2  1 c 2 
ATOM   2627 H HB3  . SER   B 1 50  ? 2.218   -13.732 -30.146 1   39.725 ? 62  SER   A HB3  1 c 2 
ATOM   2628 H HG   . SER   B 1 50  ? 3.94    -12.261 -29.662 0   30     ? 62  SER   A HG   1 c 2 
ATOM   2629 N N    . ASN   B 1 51  ? 5.284   -15.299 -27.859 1   54.069 ? 63  ASN   A N    1 ? 2 
ATOM   2630 C CA   . ASN   B 1 51  ? 6.495   -15.865 -27.24  1   58.131 ? 63  ASN   A CA   1 ? 2 
ATOM   2631 C C    . ASN   B 1 51  ? 6.427   -17.392 -27.297 1   60.946 ? 63  ASN   A C    1 ? 2 
ATOM   2632 O O    . ASN   B 1 51  ? 7.214   -18.023 -27.992 1   77.654 ? 63  ASN   A O    1 ? 2 
ATOM   2633 C CB   . ASN   B 1 51  ? 6.695   -15.377 -25.806 1   46.676 ? 63  ASN   A CB   1 ? 2 
ATOM   2634 H H    . ASN   B 1 51  ? 4.9     -14.577 -27.45  1   50.989 ? 63  ASN   A H    1 c 2 
ATOM   2635 H HA   . ASN   B 1 51  ? 7.273   -15.568 -27.764 1   56.862 ? 63  ASN   A HA   1 c 2 
ATOM   2636 H HB2  . ASN   B 1 51  ? 7.687   -15.316 -25.728 0   30     ? 63  ASN   A HB2  1 c 2 
ATOM   2637 H HB3  . ASN   B 1 51  ? 5.862   -15.221 -25.459 0   30     ? 63  ASN   A HB3  1 c 2 
ATOM   2638 N N    . GLY   B 1 52  ? 5.393   -17.966 -26.68  1   63.726 ? 64  GLY   A N    1 ? 2 
ATOM   2639 C CA   . GLY   B 1 52  ? 5.19    -19.405 -26.561 1   57.426 ? 64  GLY   A CA   1 ? 2 
ATOM   2640 C C    . GLY   B 1 52  ? 5.704   -19.915 -25.215 1   51.573 ? 64  GLY   A C    1 ? 2 
ATOM   2641 O O    . GLY   B 1 52  ? 5.924   -21.095 -25.026 1   49.968 ? 64  GLY   A O    1 ? 2 
ATOM   2642 H H    . GLY   B 1 52  ? 4.759   -17.419 -26.313 1   58.949 ? 64  GLY   A H    1 c 2 
ATOM   2643 H HA2  . GLY   B 1 52  ? 4.228   -19.604 -26.645 1   56.743 ? 64  GLY   A HA2  1 c 2 
ATOM   2644 H HA3  . GLY   B 1 52  ? 5.662   -19.865 -27.294 1   58.834 ? 64  GLY   A HA3  1 c 2 
ATOM   2645 N N    . LYS   B 1 53  ? 5.884   -19.028 -24.241 1   47.345 ? 65  LYS   A N    1 ? 2 
ATOM   2646 C CA   . LYS   B 1 53  ? 6.201   -19.455 -22.898 1   46.39  ? 65  LYS   A CA   1 ? 2 
ATOM   2647 C C    . LYS   B 1 53  ? 4.973   -20.073 -22.173 1   41.247 ? 65  LYS   A C    1 ? 2 
ATOM   2648 O O    . LYS   B 1 53  ? 5.136   -20.769 -21.171 1   38.765 ? 65  LYS   A O    1 ? 2 
ATOM   2649 C CB   . LYS   B 1 53  ? 6.917   -18.275 -22.22  1   47.584 ? 65  LYS   A CB   1 ? 2 
ATOM   2650 H H    . LYS   B 1 53  ? 5.801   -18.135 -24.415 1   47.184 ? 65  LYS   A H    1 c 2 
ATOM   2651 H HA   . LYS   B 1 53  ? 6.882   -20.172 -22.97  1   47.524 ? 65  LYS   A HA   1 c 2 
ATOM   2652 H HB2  . LYS   B 1 53  ? 7.829   -18.36  -22.268 0   30     ? 65  LYS   A HB2  1 c 2 
ATOM   2653 H HB3  . LYS   B 1 53  ? 6.153   -17.668 -21.859 0   30     ? 65  LYS   A HB3  1 c 2 
ATOM   2654 N N    . LYS   B 1 54  ? 3.734   -19.908 -22.665 1   32.691 ? 66  LYS   A N    1 ? 2 
ATOM   2655 C CA   . LYS   B 1 54  ? 2.533   -20.275 -21.945 1   29.847 ? 66  LYS   A CA   1 ? 2 
ATOM   2656 C C    . LYS   B 1 54  ? 1.488   -20.601 -23.016 1   32.432 ? 66  LYS   A C    1 ? 2 
ATOM   2657 O O    . LYS   B 1 54  ? 1.336   -19.811 -23.974 1   30.171 ? 66  LYS   A O    1 ? 2 
ATOM   2658 C CB   . LYS   B 1 54  ? 1.989   -19.106 -21.107 1   26.921 ? 66  LYS   A CB   1 ? 2 
ATOM   2659 H H    . LYS   B 1 54  ? 3.64    -19.536 -23.494 1   33.241 ? 66  LYS   A H    1 c 2 
ATOM   2660 H HA   . LYS   B 1 54  ? 2.71    -21.073 -21.386 1   31.754 ? 66  LYS   A HA   1 c 2 
ATOM   2661 H HB2  . LYS   B 1 54  ? 2.767   -18.622 -20.702 0   30     ? 66  LYS   A HB2  1 c 2 
ATOM   2662 H HB3  . LYS   B 1 54  ? 1.026   -19.136 -21.101 0   30     ? 66  LYS   A HB3  1 c 2 
ATOM   2663 N N    . PHE   B 1 55  ? 0.745   -21.677 -22.762 1   30.786 ? 67  PHE   A N    1 ? 2 
ATOM   2664 C CA   . PHE   B 1 55  ? -0.234  -22.28  -23.654 1   33.021 ? 67  PHE   A CA   1 ? 2 
ATOM   2665 C C    . PHE   B 1 55  ? -1.438  -22.633 -22.799 1   33.051 ? 67  PHE   A C    1 ? 2 
ATOM   2666 O O    . PHE   B 1 55  ? -1.277  -23.128 -21.686 1   35.071 ? 67  PHE   A O    1 ? 2 
ATOM   2667 C CB   . PHE   B 1 55  ? 0.417   -23.488 -24.345 1   35.648 ? 67  PHE   A CB   1 ? 2 
ATOM   2668 C CG   . PHE   B 1 55  ? -0.393  -24.076 -25.507 1   40.088 ? 67  PHE   A CG   1 ? 2 
ATOM   2669 C CD1  . PHE   B 1 55  ? -1.361  -25.074 -25.286 1   50.086 ? 67  PHE   A CD1  1 ? 2 
ATOM   2670 C CD2  . PHE   B 1 55  ? -0.135  -23.692 -26.828 1   47.979 ? 67  PHE   A CD2  1 ? 2 
ATOM   2671 C CE1  . PHE   B 1 55  ? -2.117  -25.608 -26.341 1   51.239 ? 67  PHE   A CE1  1 ? 2 
ATOM   2672 C CE2  . PHE   B 1 55  ? -0.847  -24.267 -27.902 1   51.306 ? 67  PHE   A CE2  1 ? 2 
ATOM   2673 C CZ   . PHE   B 1 55  ? -1.824  -25.237 -27.648 1   55.093 ? 67  PHE   A CZ   1 ? 2 
ATOM   2674 H H    . PHE   B 1 55  ? 0.862   -22.075 -21.947 1   32.534 ? 67  PHE   A H    1 c 2 
ATOM   2675 H HA   . PHE   B 1 55  ? -0.5    -21.615 -24.34  1   31.644 ? 67  PHE   A HA   1 c 2 
ATOM   2676 H HB2  . PHE   B 1 55  ? 1.298   -23.214 -24.68  1   36.647 ? 67  PHE   A HB2  1 c 2 
ATOM   2677 H HB3  . PHE   B 1 55  ? 0.56    -24.19  -23.672 1   37.506 ? 67  PHE   A HB3  1 c 2 
ATOM   2678 H HD1  . PHE   B 1 55  ? -1.556  -25.335 -24.4   1   48.13  ? 67  PHE   A HD1  1 c 2 
ATOM   2679 H HD2  . PHE   B 1 55  ? 0.537   -23.053 -27.003 1   45.72  ? 67  PHE   A HD2  1 c 2 
ATOM   2680 H HE1  . PHE   B 1 55  ? -2.763  -26.275 -26.17  1   52.835 ? 67  PHE   A HE1  1 c 2 
ATOM   2681 H HE2  . PHE   B 1 55  ? -0.672  -23.991 -28.788 1   51.338 ? 67  PHE   A HE2  1 c 2 
ATOM   2682 H HZ   . PHE   B 1 55  ? -2.319  -25.603 -28.362 1   53.862 ? 67  PHE   A HZ   1 c 2 
ATOM   2683 N N    . ASP   B 1 56  ? -2.626  -22.523 -23.367 1   27.756 ? 68  ASP   A N    1 ? 2 
ATOM   2684 C CA   . ASP   B 1 56  ? -3.833  -22.766 -22.613 1   31.858 ? 68  ASP   A CA   1 ? 2 
ATOM   2685 C C    . ASP   B 1 56  ? -4.87   -23.32  -23.57  1   34.62  ? 68  ASP   A C    1 ? 2 
ATOM   2686 O O    . ASP   B 1 56  ? -4.976  -22.846 -24.681 1   29.752 ? 68  ASP   A O    1 ? 2 
ATOM   2687 C CB   . ASP   B 1 56  ? -4.401  -21.489 -22.006 1   28.943 ? 68  ASP   A CB   1 ? 2 
ATOM   2688 C CG   . ASP   B 1 56  ? -5.793  -21.603 -21.354 1   28.855 ? 68  ASP   A CG   1 ? 2 
ATOM   2689 O OD1  . ASP   B 1 56  ? -6.05   -22.626 -20.728 1   31.7   ? 68  ASP   A OD1  1 ? 2 
ATOM   2690 O OD2  . ASP   B 1 56  ? -6.593  -20.697 -21.459 1   26.543 ? 68  ASP   A OD2  1 ? 2 
ATOM   2691 H H    . ASP   B 1 56  ? -2.69   -22.29  -24.249 1   29.271 ? 68  ASP   A H    1 c 2 
ATOM   2692 H HA   . ASP   B 1 56  ? -3.649  -23.428 -21.909 1   32.447 ? 68  ASP   A HA   1 c 2 
ATOM   2693 H HB2  . ASP   B 1 56  ? -3.774  -21.174 -21.321 1   29.082 ? 68  ASP   A HB2  1 c 2 
ATOM   2694 H HB3  . ASP   B 1 56  ? -4.448  -20.805 -22.706 1   28.09  ? 68  ASP   A HB3  1 c 2 
ATOM   2695 N N    . SER   B 1 57  ? -5.704  -24.229 -23.06  1   37.526 ? 69  SER   A N    1 ? 2 
ATOM   2696 C CA   . SER   B 1 57  ? -6.755  -24.778 -23.881 1   42.565 ? 69  SER   A CA   1 ? 2 
ATOM   2697 C C    . SER   B 1 57  ? -7.934  -25.166 -23     1   43.917 ? 69  SER   A C    1 ? 2 
ATOM   2698 O O    . SER   B 1 57  ? -7.74   -25.741 -21.917 1   42.514 ? 69  SER   A O    1 ? 2 
ATOM   2699 C CB   . SER   B 1 57  ? -6.24   -26.001 -24.642 1   51.137 ? 69  SER   A CB   1 ? 2 
ATOM   2700 O OG   . SER   B 1 57  ? -7.193  -26.391 -25.625 1   57.315 ? 69  SER   A OG   1 ? 2 
ATOM   2701 H H    . SER   B 1 57  ? -5.615  -24.507 -22.194 1   38.689 ? 69  SER   A H    1 c 2 
ATOM   2702 H HA   . SER   B 1 57  ? -7.05   -24.091 -24.529 1   41.19  ? 69  SER   A HA   1 c 2 
ATOM   2703 H HB2  . SER   B 1 57  ? -5.393  -25.783 -25.075 1   50.346 ? 69  SER   A HB2  1 c 2 
ATOM   2704 H HB3  . SER   B 1 57  ? -6.092  -26.736 -24.018 1   52.144 ? 69  SER   A HB3  1 c 2 
ATOM   2705 H HG   . SER   B 1 57  ? -6.926  -27.038 -26.089 0   30     ? 69  SER   A HG   1 c 2 
ATOM   2706 N N    . SER   B 1 58  ? -9.126  -24.925 -23.536 1   38.749 ? 70  SER   A N    1 ? 2 
ATOM   2707 C CA   . SER   B 1 58  ? -10.33  -25.515 -22.99  1   38.92  ? 70  SER   A CA   1 ? 2 
ATOM   2708 C C    . SER   B 1 58  ? -10.323 -27.02  -23.204 1   43.543 ? 70  SER   A C    1 ? 2 
ATOM   2709 O O    . SER   B 1 58  ? -10.979 -27.718 -22.462 1   45.808 ? 70  SER   A O    1 ? 2 
ATOM   2710 C CB   . SER   B 1 58  ? -11.542 -24.966 -23.669 1   35.903 ? 70  SER   A CB   1 ? 2 
ATOM   2711 O OG   . SER   B 1 58  ? -11.49  -25.334 -25.049 1   35.074 ? 70  SER   A OG   1 ? 2 
ATOM   2712 H H    . SER   B 1 58  ? -9.194  -24.375 -24.263 1   38.465 ? 70  SER   A H    1 c 2 
ATOM   2713 H HA   . SER   B 1 58  ? -10.378 -25.322 -22.019 1   39.081 ? 70  SER   A HA   1 c 2 
ATOM   2714 H HB2  . SER   B 1 58  ? -12.347 -25.333 -23.257 1   37.188 ? 70  SER   A HB2  1 c 2 
ATOM   2715 H HB3  . SER   B 1 58  ? -11.557 -23.994 -23.584 1   34.404 ? 70  SER   A HB3  1 c 2 
ATOM   2716 H HG   . SER   B 1 58  ? -12.155 -25.029 -25.457 0   30     ? 70  SER   A HG   1 c 2 
ATOM   2717 N N    . HIS   B 1 59  ? -9.627  -27.529 -24.233 1   46.116 ? 71  HIS   A N    1 ? 2 
ATOM   2718 C CA   . HIS   B 1 59  ? -9.482  -28.99  -24.371 1   56.972 ? 71  HIS   A CA   1 ? 2 
ATOM   2719 C C    . HIS   B 1 59  ? -8.833  -29.592 -23.123 1   55.068 ? 71  HIS   A C    1 ? 2 
ATOM   2720 O O    . HIS   B 1 59  ? -9.162  -30.714 -22.741 1   69.062 ? 71  HIS   A O    1 ? 2 
ATOM   2721 C CB   . HIS   B 1 59  ? -8.693  -29.373 -25.624 1   61.187 ? 71  HIS   A CB   1 ? 2 
ATOM   2722 C CG   . HIS   B 1 59  ? -9.387  -28.917 -26.856 1   68.914 ? 71  HIS   A CG   1 ? 2 
ATOM   2723 N ND1  . HIS   B 1 59  ? -10.73  -29.183 -27.061 1   69.029 ? 71  HIS   A ND1  1 ? 2 
ATOM   2724 C CD2  . HIS   B 1 59  ? -8.961  -28.222 -27.928 1   66.406 ? 71  HIS   A CD2  1 ? 2 
ATOM   2725 C CE1  . HIS   B 1 59  ? -11.102 -28.674 -28.229 1   66.105 ? 71  HIS   A CE1  1 ? 2 
ATOM   2726 N NE2  . HIS   B 1 59  ? -10.051 -28.072 -28.77  1   70.882 ? 71  HIS   A NE2  1 ? 2 
ATOM   2727 H H    . HIS   B 1 59  ? -9.246  -26.978 -24.854 1   46.015 ? 71  HIS   A H    1 c 2 
ATOM   2728 H HA   . HIS   B 1 59  ? -10.391 -29.369 -24.452 1   56.365 ? 71  HIS   A HA   1 c 2 
ATOM   2729 H HB2  . HIS   B 1 59  ? -7.803  -28.962 -25.581 1   61.104 ? 71  HIS   A HB2  1 c 2 
ATOM   2730 H HB3  . HIS   B 1 59  ? -8.591  -30.349 -25.652 1   64.401 ? 71  HIS   A HB3  1 c 2 
ATOM   2731 H HD1  . HIS   B 1 59  ? -11.311 -29.599 -26.61  0   30     ? 71  HIS   A HD1  1 c 2 
ATOM   2732 H HD2  . HIS   B 1 59  ? -8.098  -27.891 -28.08  1   66.795 ? 71  HIS   A HD2  1 c 2 
ATOM   2733 H HE1  . HIS   B 1 59  ? -11.968 -28.717 -28.599 1   68.477 ? 71  HIS   A HE1  1 c 2 
ATOM   2734 H HE2  . HIS   B 1 59  ? -10.017 -27.589 -29.576 0   30     ? 71  HIS   A HE2  1 c 2 
ATOM   2735 N N    . ASP   B 1 60  ? -7.95   -28.824 -22.462 1   61.403 ? 72  ASP   A N    1 ? 2 
ATOM   2736 C CA   . ASP   B 1 60  ? -7.308  -29.24  -21.218 1   65.258 ? 72  ASP   A CA   1 ? 2 
ATOM   2737 C C    . ASP   B 1 60  ? -8.394  -29.563 -20.176 1   66.165 ? 72  ASP   A C    1 ? 2 
ATOM   2738 O O    . ASP   B 1 60  ? -8.118  -30.319 -19.267 1   62.899 ? 72  ASP   A O    1 ? 2 
ATOM   2739 C CB   . ASP   B 1 60  ? -6.189  -28.266 -20.823 1   59.858 ? 72  ASP   A CB   1 ? 2 
ATOM   2740 H H    . ASP   B 1 60  ? -7.725  -28.01  -22.814 1   57.658 ? 72  ASP   A H    1 c 2 
ATOM   2741 H HA   . ASP   B 1 60  ? -6.836  -30.082 -21.406 1   65.801 ? 72  ASP   A HA   1 c 2 
ATOM   2742 H HB2  . ASP   B 1 60  ? -5.415  -28.612 -20.929 0   30     ? 72  ASP   A HB2  1 c 2 
ATOM   2743 H HB3  . ASP   B 1 60  ? -6.787  -27.479 -20.402 0   30     ? 72  ASP   A HB3  1 c 2 
ATOM   2744 N N    . ARG   B 1 61  ? -9.624  -29.02  -20.295 1   66.297 ? 73  ARG   A N    1 ? 2 
ATOM   2745 C CA   . ARG   B 1 61  ? -10.728 -29.261 -19.352 1   63.597 ? 73  ARG   A CA   1 ? 2 
ATOM   2746 C C    . ARG   B 1 61  ? -11.774 -30.246 -19.936 1   59.423 ? 73  ARG   A C    1 ? 2 
ATOM   2747 O O    . ARG   B 1 61  ? -12.739 -30.623 -19.268 1   57.285 ? 73  ARG   A O    1 ? 2 
ATOM   2748 C CB   . ARG   B 1 61  ? -11.272 -27.881 -18.901 1   62.793 ? 73  ARG   A CB   1 ? 2 
ATOM   2749 H H    . ARG   B 1 61  ? -9.777  -28.448 -20.99  1   63.063 ? 73  ARG   A H    1 c 2 
ATOM   2750 H HA   . ARG   B 1 61  ? -10.345 -29.687 -18.544 1   64.829 ? 73  ARG   A HA   1 c 2 
ATOM   2751 H HB2  . ARG   B 1 61  ? -10.528 -27.327 -18.685 0   30     ? 73  ARG   A HB2  1 c 2 
ATOM   2752 H HB3  . ARG   B 1 61  ? -12.255 -27.98  -18.9   0   30     ? 73  ARG   A HB3  1 c 2 
ATOM   2753 N N    . ASN   B 1 62  ? -11.636 -30.632 -21.221 1   54.983 ? 74  ASN   A N    1 ? 2 
ATOM   2754 C CA   . ASN   B 1 62  ? -12.59  -31.486 -21.926 1   56.736 ? 74  ASN   A CA   1 ? 2 
ATOM   2755 C C    . ASN   B 1 62  ? -13.983 -30.848 -22.052 1   57.644 ? 74  ASN   A C    1 ? 2 
ATOM   2756 O O    . ASN   B 1 62  ? -14.921 -31.531 -22.402 1   63.663 ? 74  ASN   A O    1 ? 2 
ATOM   2757 C CB   . ASN   B 1 62  ? -12.574 -32.885 -21.268 1   59.162 ? 74  ASN   A CB   1 ? 2 
ATOM   2758 H H    . ASN   B 1 62  ? -10.902 -30.345 -21.682 1   54.868 ? 74  ASN   A H    1 c 2 
ATOM   2759 H HA   . ASN   B 1 62  ? -12.247 -31.605 -22.841 1   56.596 ? 74  ASN   A HA   1 c 2 
ATOM   2760 H HB2  . ASN   B 1 62  ? -11.655 -33.14  -21.114 0   30     ? 74  ASN   A HB2  1 c 2 
ATOM   2761 H HB3  . ASN   B 1 62  ? -13.502 -33.162 -21.104 0   30     ? 74  ASN   A HB3  1 c 2 
ATOM   2762 N N    . GLU   B 1 63  ? -14.167 -29.535 -21.765 1   54.203 ? 75  GLU   A N    1 ? 2 
ATOM   2763 C CA   . GLU   B 1 63  ? -15.515 -28.995 -21.566 1   53.862 ? 75  GLU   A CA   1 ? 2 
ATOM   2764 C C    . GLU   B 1 63  ? -15.509 -27.562 -22.132 1   44.375 ? 75  GLU   A C    1 ? 2 
ATOM   2765 O O    . GLU   B 1 63  ? -14.481 -26.889 -22.084 1   41.811 ? 75  GLU   A O    1 ? 2 
ATOM   2766 C CB   . GLU   B 1 63  ? -16.035 -29.019 -20.116 1   58.353 ? 75  GLU   A CB   1 ? 2 
ATOM   2767 C CG   . GLU   B 1 63  ? -15.726 -27.75  -19.31  1   61.462 ? 75  GLU   A CG   1 ? 2 
ATOM   2768 C CD   . GLU   B 1 63  ? -15.879 -27.596 -17.79  1   68.001 ? 75  GLU   A CD   1 ? 2 
ATOM   2769 O OE1  . GLU   B 1 63  ? -15.763 -26.433 -17.306 1   65.921 ? 75  GLU   A OE1  1 ? 2 
ATOM   2770 O OE2  . GLU   B 1 63  ? -16.059 -28.588 -17.067 1   72.188 ? 75  GLU   A OE2  1 ? 2 
ATOM   2771 H H    . GLU   B 1 63  ? -13.449 -28.973 -21.709 1   52.535 ? 75  GLU   A H    1 c 2 
ATOM   2772 H HA   . GLU   B 1 63  ? -16.139 -29.535 -22.111 1   54.586 ? 75  GLU   A HA   1 c 2 
ATOM   2773 H HB2  . GLU   B 1 63  ? -17.006 -29.151 -20.134 1   59.903 ? 75  GLU   A HB2  1 c 2 
ATOM   2774 H HB3  . GLU   B 1 63  ? -15.639 -29.787 -19.654 1   60.611 ? 75  GLU   A HB3  1 c 2 
ATOM   2775 H HG2  . GLU   B 1 63  ? -14.796 -27.51  -19.511 1   59.605 ? 75  GLU   A HG2  1 c 2 
ATOM   2776 H HG3  . GLU   B 1 63  ? -16.26  -27.03  -19.707 1   59.658 ? 75  GLU   A HG3  1 c 2 
ATOM   2777 N N    . PRO   B 1 64  ? -16.623 -27.084 -22.721 1   42.711 ? 76  PRO   A N    1 ? 2 
ATOM   2778 C CA   . PRO   B 1 64  ? -16.58  -25.794 -23.406 1   38.559 ? 76  PRO   A CA   1 ? 2 
ATOM   2779 C C    . PRO   B 1 64  ? -16.329 -24.673 -22.411 1   34.614 ? 76  PRO   A C    1 ? 2 
ATOM   2780 O O    . PRO   B 1 64  ? -16.707 -24.778 -21.24  1   38.407 ? 76  PRO   A O    1 ? 2 
ATOM   2781 C CB   . PRO   B 1 64  ? -17.931 -25.696 -24.13  1   39.706 ? 76  PRO   A CB   1 ? 2 
ATOM   2782 C CG   . PRO   B 1 64  ? -18.524 -27.07  -24.034 1   46.587 ? 76  PRO   A CG   1 ? 2 
ATOM   2783 C CD   . PRO   B 1 64  ? -17.945 -27.712 -22.811 1   45.749 ? 76  PRO   A CD   1 ? 2 
ATOM   2784 H HA   . PRO   B 1 64  ? -15.86  -25.807 -24.07  1   37.734 ? 76  PRO   A HA   1 c 2 
ATOM   2785 H HB2  . PRO   B 1 64  ? -18.51  -25.038 -23.699 1   39.763 ? 76  PRO   A HB2  1 c 2 
ATOM   2786 H HB3  . PRO   B 1 64  ? -17.805 -25.438 -25.064 1   39.598 ? 76  PRO   A HB3  1 c 2 
ATOM   2787 H HG2  . PRO   B 1 64  ? -19.498 -27.018 -23.959 1   46.095 ? 76  PRO   A HG2  1 c 2 
ATOM   2788 H HG3  . PRO   B 1 64  ? -18.302 -27.596 -24.828 1   45.944 ? 76  PRO   A HG3  1 c 2 
ATOM   2789 H HD2  . PRO   B 1 64  ? -18.479 -27.515 -22.016 1   46.543 ? 76  PRO   A HD2  1 c 2 
ATOM   2790 H HD3  . PRO   B 1 64  ? -17.87  -28.678 -22.92  1   48.164 ? 76  PRO   A HD3  1 c 2 
ATOM   2791 N N    . PHE   B 1 65  ? -15.719 -23.606 -22.928 1   30.597 ? 77  PHE   A N    1 ? 2 
ATOM   2792 C CA   . PHE   B 1 65  ? -15.624 -22.303 -22.258 1   30.045 ? 77  PHE   A CA   1 ? 2 
ATOM   2793 C C    . PHE   B 1 65  ? -16.887 -21.501 -22.609 1   28.046 ? 77  PHE   A C    1 ? 2 
ATOM   2794 O O    . PHE   B 1 65  ? -17.174 -21.318 -23.778 1   28.227 ? 77  PHE   A O    1 ? 2 
ATOM   2795 C CB   . PHE   B 1 65  ? -14.341 -21.569 -22.643 1   29.331 ? 77  PHE   A CB   1 ? 2 
ATOM   2796 C CG   . PHE   B 1 65  ? -14.213 -20.191 -22.01  1   25.911 ? 77  PHE   A CG   1 ? 2 
ATOM   2797 C CD1  . PHE   B 1 65  ? -14.269 -20.064 -20.624 1   30.391 ? 77  PHE   A CD1  1 ? 2 
ATOM   2798 C CD2  . PHE   B 1 65  ? -14.184 -19.04  -22.763 1   25.586 ? 77  PHE   A CD2  1 ? 2 
ATOM   2799 C CE1  . PHE   B 1 65  ? -14.151 -18.829 -20.005 1   30.766 ? 77  PHE   A CE1  1 ? 2 
ATOM   2800 C CE2  . PHE   B 1 65  ? -14.108 -17.8   -22.143 1   24.733 ? 77  PHE   A CE2  1 ? 2 
ATOM   2801 C CZ   . PHE   B 1 65  ? -14.139 -17.687 -20.779 1   28.311 ? 77  PHE   A CZ   1 ? 2 
ATOM   2802 H H    . PHE   B 1 65  ? -15.332 -23.689 -23.752 1   30.885 ? 77  PHE   A H    1 c 2 
ATOM   2803 H HA   . PHE   B 1 65  ? -15.611 -22.458 -21.277 1   30.503 ? 77  PHE   A HA   1 c 2 
ATOM   2804 H HB2  . PHE   B 1 65  ? -13.573 -22.118 -22.372 1   29.056 ? 77  PHE   A HB2  1 c 2 
ATOM   2805 H HB3  . PHE   B 1 65  ? -14.316 -21.474 -23.622 1   28.125 ? 77  PHE   A HB3  1 c 2 
ATOM   2806 H HD1  . PHE   B 1 65  ? -14.293 -20.845 -20.093 1   31.031 ? 77  PHE   A HD1  1 c 2 
ATOM   2807 H HD2  . PHE   B 1 65  ? -14.181 -19.097 -23.705 1   25.118 ? 77  PHE   A HD2  1 c 2 
ATOM   2808 H HE1  . PHE   B 1 65  ? -14.179 -18.766 -19.064 1   30.818 ? 77  PHE   A HE1  1 c 2 
ATOM   2809 H HE2  . PHE   B 1 65  ? -14.067 -17.02  -22.673 1   24.417 ? 77  PHE   A HE2  1 c 2 
ATOM   2810 H HZ   . PHE   B 1 65  ? -14.065 -16.839 -20.371 1   27.182 ? 77  PHE   A HZ   1 c 2 
ATOM   2811 N N    . VAL   B 1 66  ? -17.606 -21.04  -21.576 1   30.562 ? 78  VAL   A N    1 ? 2 
ATOM   2812 C CA   . VAL   B 1 66  ? -18.911 -20.405 -21.738 1   31.203 ? 78  VAL   A CA   1 ? 2 
ATOM   2813 C C    . VAL   B 1 66  ? -18.786 -19.002 -21.154 1   29.879 ? 78  VAL   A C    1 ? 2 
ATOM   2814 O O    . VAL   B 1 66  ? -18.199 -18.807 -20.082 1   29.599 ? 78  VAL   A O    1 ? 2 
ATOM   2815 C CB   . VAL   B 1 66  ? -20.081 -21.146 -21.072 1   36.363 ? 78  VAL   A CB   1 ? 2 
ATOM   2816 C CG1  . VAL   B 1 66  ? -21.407 -20.468 -21.35  1   35.818 ? 78  VAL   A CG1  1 ? 2 
ATOM   2817 C CG2  . VAL   B 1 66  ? -20.153 -22.616 -21.473 1   39.926 ? 78  VAL   A CG2  1 ? 2 
ATOM   2818 H H    . VAL   B 1 66  ? -17.267 -21.123 -20.732 1   30.489 ? 78  VAL   A H    1 c 2 
ATOM   2819 H HA   . VAL   B 1 66  ? -19.099 -20.328 -22.689 1   31.087 ? 78  VAL   A HA   1 c 2 
ATOM   2820 H HB   . VAL   B 1 66  ? -19.929 -21.111 -20.098 1   36.451 ? 78  VAL   A HB   1 c 2 
ATOM   2821 H HG11 . VAL   B 1 66  ? -21.465 -20.245 -22.294 1   35.244 ? 78  VAL   A HG11 1 c 2 
ATOM   2822 H HG12 . VAL   B 1 66  ? -21.474 -19.655 -20.822 1   35.471 ? 78  VAL   A HG12 1 c 2 
ATOM   2823 H HG13 . VAL   B 1 66  ? -22.136 -21.066 -21.114 1   37.93  ? 78  VAL   A HG13 1 c 2 
ATOM   2824 H HG21 . VAL   B 1 66  ? -20.995 -22.997 -21.174 1   41.165 ? 78  VAL   A HG21 1 c 2 
ATOM   2825 H HG22 . VAL   B 1 66  ? -19.416 -23.1   -21.063 1   39.723 ? 78  VAL   A HG22 1 c 2 
ATOM   2826 H HG23 . VAL   B 1 66  ? -20.089 -22.691 -22.44  1   38.97  ? 78  VAL   A HG23 1 c 2 
ATOM   2827 N N    . PHE   B 1 67  ? -19.23  -17.964 -21.922 1   27.334 ? 79  PHE   A N    1 ? 2 
ATOM   2828 C CA   . PHE   B 1 67  ? -19.138 -16.601 -21.402 1   24.57  ? 79  PHE   A CA   1 ? 2 
ATOM   2829 C C    . PHE   B 1 67  ? -20.258 -15.763 -22.083 1   23.973 ? 79  PHE   A C    1 ? 2 
ATOM   2830 O O    . PHE   B 1 67  ? -20.879 -16.204 -23.076 1   25.013 ? 79  PHE   A O    1 ? 2 
ATOM   2831 C CB   . PHE   B 1 67  ? -17.765 -15.944 -21.577 1   24.712 ? 79  PHE   A CB   1 ? 2 
ATOM   2832 C CG   . PHE   B 1 67  ? -17.415 -15.573 -23.007 1   21.901 ? 79  PHE   A CG   1 ? 2 
ATOM   2833 C CD1  . PHE   B 1 67  ? -17.056 -16.554 -23.92  1   25.369 ? 79  PHE   A CD1  1 ? 2 
ATOM   2834 C CD2  . PHE   B 1 67  ? -17.508 -14.263 -23.46  1   19.83  ? 79  PHE   A CD2  1 ? 2 
ATOM   2835 C CE1  . PHE   B 1 67  ? -16.71  -16.221 -25.211 1   21.983 ? 79  PHE   A CE1  1 ? 2 
ATOM   2836 C CE2  . PHE   B 1 67  ? -17.241 -13.927 -24.779 1   21.31  ? 79  PHE   A CE2  1 ? 2 
ATOM   2837 C CZ   . PHE   B 1 67  ? -16.854 -14.91  -25.653 1   20.727 ? 79  PHE   A CZ   1 ? 2 
ATOM   2838 H H    . PHE   B 1 67  ? -19.581 -18.112 -22.753 1   27.309 ? 79  PHE   A H    1 c 2 
ATOM   2839 H HA   . PHE   B 1 67  ? -19.335 -16.633 -20.428 1   26.013 ? 79  PHE   A HA   1 c 2 
ATOM   2840 H HB2  . PHE   B 1 67  ? -17.737 -15.132 -21.025 1   23.62  ? 79  PHE   A HB2  1 c 2 
ATOM   2841 H HB3  . PHE   B 1 67  ? -17.08  -16.561 -21.235 1   24.012 ? 79  PHE   A HB3  1 c 2 
ATOM   2842 H HD1  . PHE   B 1 67  ? -16.964 -17.447 -23.628 1   24.651 ? 79  PHE   A HD1  1 c 2 
ATOM   2843 H HD2  . PHE   B 1 67  ? -17.794 -13.591 -22.862 1   20.735 ? 79  PHE   A HD2  1 c 2 
ATOM   2844 H HE1  . PHE   B 1 67  ? -16.468 -16.899 -25.821 1   22.778 ? 79  PHE   A HE1  1 c 2 
ATOM   2845 H HE2  . PHE   B 1 67  ? -17.299 -13.029 -25.063 1   20.218 ? 79  PHE   A HE2  1 c 2 
ATOM   2846 H HZ   . PHE   B 1 67  ? -16.635 -14.687 -26.544 1   20.731 ? 79  PHE   A HZ   1 c 2 
ATOM   2847 N N    . SER   B 1 68  ? -20.575 -14.631 -21.472 1   24.722 ? 80  SER   A N    1 ? 2 
ATOM   2848 C CA   . SER   B 1 68  ? -21.619 -13.757 -22.063 1   27.286 ? 80  SER   A CA   1 ? 2 
ATOM   2849 C C    . SER   B 1 68  ? -20.89  -12.703 -22.906 1   23.466 ? 80  SER   A C    1 ? 2 
ATOM   2850 O O    . SER   B 1 68  ? -20.059 -11.941 -22.404 1   22.804 ? 80  SER   A O    1 ? 2 
ATOM   2851 C CB   . SER   B 1 68  ? -22.5   -13.061 -21.046 1   31.394 ? 80  SER   A CB   1 ? 2 
ATOM   2852 O OG   . SER   B 1 68  ? -23.164 -14.049 -20.28  1   34.309 ? 80  SER   A OG   1 ? 2 
ATOM   2853 H H    . SER   B 1 68  ? -20.161 -14.385 -20.696 1   24.956 ? 80  SER   A H    1 c 2 
ATOM   2854 H HA   . SER   B 1 68  ? -22.191 -14.302 -22.657 1   27.388 ? 80  SER   A HA   1 c 2 
ATOM   2855 H HB2  . SER   B 1 68  ? -21.954 -12.5   -20.464 1   30.529 ? 80  SER   A HB2  1 c 2 
ATOM   2856 H HB3  . SER   B 1 68  ? -23.155 -12.5   -21.504 1   31.186 ? 80  SER   A HB3  1 c 2 
ATOM   2857 H HG   . SER   B 1 68  ? -23.632 -13.657 -19.671 0   30     ? 80  SER   A HG   1 c 2 
ATOM   2858 N N    . LEU   B 1 69  ? -21.273 -12.599 -24.169 1   22.339 ? 81  LEU   A N    1 ? 2 
ATOM   2859 C CA   . LEU   B 1 69  ? -20.558 -11.736 -25.1   1   22.282 ? 81  LEU   A CA   1 ? 2 
ATOM   2860 C C    . LEU   B 1 69  ? -20.752 -10.262 -24.746 1   21.545 ? 81  LEU   A C    1 ? 2 
ATOM   2861 O O    . LEU   B 1 69  ? -21.862 -9.777  -24.437 1   24.353 ? 81  LEU   A O    1 ? 2 
ATOM   2862 C CB   . LEU   B 1 69  ? -21.045 -12.002 -26.51  1   23.765 ? 81  LEU   A CB   1 ? 2 
ATOM   2863 C CG   . LEU   B 1 69  ? -20.268 -11.286 -27.637 1   26.397 ? 81  LEU   A CG   1 ? 2 
ATOM   2864 C CD1  . LEU   B 1 69  ? -18.823 -11.792 -27.776 1   23.765 ? 81  LEU   A CD1  1 ? 2 
ATOM   2865 C CD2  . LEU   B 1 69  ? -21.074 -11.489 -28.897 1   29.549 ? 81  LEU   A CD2  1 ? 2 
ATOM   2866 H H    . LEU   B 1 69  ? -21.998 -13.069 -24.466 1   23.723 ? 81  LEU   A H    1 c 2 
ATOM   2867 H HA   . LEU   B 1 69  ? -19.594 -11.955 -25.044 1   21.361 ? 81  LEU   A HA   1 c 2 
ATOM   2868 H HB2  . LEU   B 1 69  ? -21.002 -12.973 -26.671 1   24.523 ? 81  LEU   A HB2  1 c 2 
ATOM   2869 H HB3  . LEU   B 1 69  ? -21.991 -11.733 -26.563 1   25.104 ? 81  LEU   A HB3  1 c 2 
ATOM   2870 H HG   . LEU   B 1 69  ? -20.243 -10.316 -27.435 1   25.64  ? 81  LEU   A HG   1 c 2 
ATOM   2871 H HD11 . LEU   B 1 69  ? -18.314 -11.544 -26.986 1   23.623 ? 81  LEU   A HD11 1 c 2 
ATOM   2872 H HD12 . LEU   B 1 69  ? -18.414 -11.393 -28.562 1   23.994 ? 81  LEU   A HD12 1 c 2 
ATOM   2873 H HD13 . LEU   B 1 69  ? -18.825 -12.759 -27.869 1   24.511 ? 81  LEU   A HD13 1 c 2 
ATOM   2874 H HD21 . LEU   B 1 69  ? -21.968 -11.129 -28.774 1   29.488 ? 81  LEU   A HD21 1 c 2 
ATOM   2875 H HD22 . LEU   B 1 69  ? -21.133 -12.438 -29.095 1   29.202 ? 81  LEU   A HD22 1 c 2 
ATOM   2876 H HD23 . LEU   B 1 69  ? -20.641 -11.031 -29.637 1   28.616 ? 81  LEU   A HD23 1 c 2 
ATOM   2877 N N    . GLY   B 1 70  ? -19.654 -9.537  -24.81  1   23.455 ? 82  GLY   A N    1 ? 2 
ATOM   2878 C CA   . GLY   B 1 70  ? -19.732 -8.081  -24.764 1   24.641 ? 82  GLY   A CA   1 ? 2 
ATOM   2879 C C    . GLY   B 1 70  ? -19.858 -7.51   -23.394 1   27.638 ? 82  GLY   A C    1 ? 2 
ATOM   2880 O O    . GLY   B 1 70  ? -20.32  -6.352  -23.29  1   33.397 ? 82  GLY   A O    1 ? 2 
ATOM   2881 H H    . GLY   B 1 70  ? -18.838 -9.94   -24.882 1   22.174 ? 82  GLY   A H    1 c 2 
ATOM   2882 H HA2  . GLY   B 1 70  ? -18.924 -7.712  -25.19  1   24.249 ? 82  GLY   A HA2  1 c 2 
ATOM   2883 H HA3  . GLY   B 1 70  ? -20.505 -7.79   -25.304 1   25.499 ? 82  GLY   A HA3  1 c 2 
ATOM   2884 N N    . LYS   B 1 71  ? -19.589 -8.338  -22.36  1   24.926 ? 83  LYS   A N    1 ? 2 
ATOM   2885 C CA   . LYS   B 1 71  ? -19.706 -7.91   -20.975 1   25.539 ? 83  LYS   A CA   1 ? 2 
ATOM   2886 C C    . LYS   B 1 71  ? -18.287 -7.746  -20.398 1   26.56  ? 83  LYS   A C    1 ? 2 
ATOM   2887 O O    . LYS   B 1 71  ? -18.098 -7.411  -19.25  1   31.943 ? 83  LYS   A O    1 ? 2 
ATOM   2888 C CB   . LYS   B 1 71  ? -20.685 -8.821  -20.235 1   25.761 ? 83  LYS   A CB   1 ? 2 
ATOM   2889 H H    . LYS   B 1 71  ? -19.317 -9.194  -22.531 1   25.022 ? 83  LYS   A H    1 c 2 
ATOM   2890 H HA   . LYS   B 1 71  ? -20.123 -7.012  -20.974 1   26.374 ? 83  LYS   A HA   1 c 2 
ATOM   2891 H HB2  . LYS   B 1 71  ? -20.127 -9.459  -19.721 0   30     ? 83  LYS   A HB2  1 c 2 
ATOM   2892 H HB3  . LYS   B 1 71  ? -21.574 -8.55   -20.453 0   30     ? 83  LYS   A HB3  1 c 2 
ATOM   2893 N N    . GLY   B 1 72  ? -17.256 -7.85   -21.226 1   28.352 ? 84  GLY   A N    1 ? 2 
ATOM   2894 C CA   . GLY   B 1 72  ? -15.854 -7.785  -20.784 1   29.277 ? 84  GLY   A CA   1 ? 2 
ATOM   2895 C C    . GLY   B 1 72  ? -15.488 -8.869  -19.755 1   29.098 ? 84  GLY   A C    1 ? 2 
ATOM   2896 O O    . GLY   B 1 72  ? -14.586 -8.646  -18.932 1   31.179 ? 84  GLY   A O    1 ? 2 
ATOM   2897 H H    . GLY   B 1 72  ? -17.417 -7.962  -22.118 1   27.372 ? 84  GLY   A H    1 c 2 
ATOM   2898 H HA2  . GLY   B 1 72  ? -15.269 -7.877  -21.571 1   27.939 ? 84  GLY   A HA2  1 c 2 
ATOM   2899 H HA3  . GLY   B 1 72  ? -15.687 -6.896  -20.39  1   29.226 ? 84  GLY   A HA3  1 c 2 
ATOM   2900 N N    . GLN   B 1 73  ? -16.22  -10.016 -19.778 1   24.831 ? 85  GLN   A N    1 ? 2 
ATOM   2901 C CA   . GLN   B 1 73  ? -15.845 -11.24  -19.076 1   25.812 ? 85  GLN   A CA   1 ? 2 
ATOM   2902 C C    . GLN   B 1 73  ? -14.569 -11.887 -19.636 1   23.549 ? 85  GLN   A C    1 ? 2 
ATOM   2903 O O    . GLN   B 1 73  ? -13.982 -12.781 -19.008 1   22.915 ? 85  GLN   A O    1 ? 2 
ATOM   2904 C CB   . GLN   B 1 73  ? -16.968 -12.279 -19.146 1   27.919 ? 85  GLN   A CB   1 ? 2 
ATOM   2905 C CG   . GLN   B 1 73  ? -18.21  -11.92  -18.322 1   30.343 ? 85  GLN   A CG   1 ? 2 
ATOM   2906 C CD   . GLN   B 1 73  ? -19.346 -12.896 -18.511 1   30.315 ? 85  GLN   A CD   1 ? 2 
ATOM   2907 O OE1  . GLN   B 1 73  ? -19.201 -13.95  -19.117 1   29.963 ? 85  GLN   A OE1  1 ? 2 
ATOM   2908 N NE2  . GLN   B 1 73  ? -20.506 -12.58  -17.952 1   35.071 ? 85  GLN   A NE2  1 ? 2 
ATOM   2909 H H    . GLN   B 1 73  ? -16.989 -10.028 -20.271 1   26.183 ? 85  GLN   A H    1 c 2 
ATOM   2910 H HA   . GLN   B 1 73  ? -15.688 -11.013 -18.124 1   26.396 ? 85  GLN   A HA   1 c 2 
ATOM   2911 H HB2  . GLN   B 1 73  ? -17.231 -12.391 -20.084 1   27.301 ? 85  GLN   A HB2  1 c 2 
ATOM   2912 H HB3  . GLN   B 1 73  ? -16.62  -13.14  -18.832 1   28.1   ? 85  GLN   A HB3  1 c 2 
ATOM   2913 H HG2  . GLN   B 1 73  ? -17.971 -11.894 -17.371 1   30.647 ? 85  GLN   A HG2  1 c 2 
ATOM   2914 H HG3  . GLN   B 1 73  ? -18.519 -11.024 -18.577 1   29.719 ? 85  GLN   A HG3  1 c 2 
ATOM   2915 H HE21 . GLN   B 1 73  ? -21.198 -13.131 -18.027 1   34.919 ? 85  GLN   A HE21 1 c 2 
ATOM   2916 H HE22 . GLN   B 1 73  ? -20.591 -11.819 -17.504 1   34.363 ? 85  GLN   A HE22 1 c 2 
ATOM   2917 N N    . VAL   B 1 74  ? -14.141 -11.416 -20.797 1   18.242 ? 86  VAL   A N    1 ? 2 
ATOM   2918 C CA   . VAL   B 1 74  ? -12.951 -11.847 -21.474 1   18.91  ? 86  VAL   A CA   1 ? 2 
ATOM   2919 C C    . VAL   B 1 74  ? -12.227 -10.582 -21.953 1   17.311 ? 86  VAL   A C    1 ? 2 
ATOM   2920 O O    . VAL   B 1 74  ? -12.801 -9.489  -21.895 1   18.923 ? 86  VAL   A O    1 ? 2 
ATOM   2921 C CB   . VAL   B 1 74  ? -13.29  -12.751 -22.647 1   19.111 ? 86  VAL   A CB   1 ? 2 
ATOM   2922 C CG1  . VAL   B 1 74  ? -13.776 -14.093 -22.137 1   21.905 ? 86  VAL   A CG1  1 ? 2 
ATOM   2923 C CG2  . VAL   B 1 74  ? -14.296 -12.105 -23.606 1   19.797 ? 86  VAL   A CG2  1 ? 2 
ATOM   2924 H H    . VAL   B 1 74  ? -14.648 -10.777 -21.208 1   19.522 ? 86  VAL   A H    1 c 2 
ATOM   2925 H HA   . VAL   B 1 74  ? -12.379 -12.328 -20.848 1   18.762 ? 86  VAL   A HA   1 c 2 
ATOM   2926 H HB   . VAL   B 1 74  ? -12.455 -12.906 -23.147 1   19.046 ? 86  VAL   A HB   1 c 2 
ATOM   2927 H HG11 . VAL   B 1 74  ? -14.612 -13.974 -21.655 1   21.916 ? 86  VAL   A HG11 1 c 2 
ATOM   2928 H HG12 . VAL   B 1 74  ? -13.111 -14.475 -21.541 1   21.486 ? 86  VAL   A HG12 1 c 2 
ATOM   2929 H HG13 . VAL   B 1 74  ? -13.92  -14.692 -22.889 1   21.421 ? 86  VAL   A HG13 1 c 2 
ATOM   2930 H HG21 . VAL   B 1 74  ? -14.459 -12.704 -24.354 1   19.653 ? 86  VAL   A HG21 1 c 2 
ATOM   2931 H HG22 . VAL   B 1 74  ? -13.939 -11.265 -23.938 1   19.165 ? 86  VAL   A HG22 1 c 2 
ATOM   2932 H HG23 . VAL   B 1 74  ? -15.132 -11.94  -23.14  1   20.08  ? 86  VAL   A HG23 1 c 2 
ATOM   2933 N N    . ILE   B 1 75  ? -11.02  -10.745 -22.43  1   16.679 ? 87  ILE   A N    1 ? 2 
ATOM   2934 C CA   . ILE   B 1 75  ? -10.25  -9.623  -22.993 1   16.483 ? 87  ILE   A CA   1 ? 2 
ATOM   2935 C C    . ILE   B 1 75  ? -11.038 -9.016  -24.168 1   16.569 ? 87  ILE   A C    1 ? 2 
ATOM   2936 O O    . ILE   B 1 75  ? -11.871 -9.681  -24.801 1   17.769 ? 87  ILE   A O    1 ? 2 
ATOM   2937 C CB   . ILE   B 1 75  ? -8.833  -10.03  -23.409 1   16.923 ? 87  ILE   A CB   1 ? 2 
ATOM   2938 C CG1  . ILE   B 1 75  ? -8.846  -11.22  -24.38  1   17.144 ? 87  ILE   A CG1  1 ? 2 
ATOM   2939 C CG2  . ILE   B 1 75  ? -8.006  -10.257 -22.155 1   18.063 ? 87  ILE   A CG2  1 ? 2 
ATOM   2940 C CD1  . ILE   B 1 75  ? -7.476  -11.524 -24.972 1   18.598 ? 87  ILE   A CD1  1 ? 2 
ATOM   2941 H H    . ILE   B 1 75  ? -10.637 -11.575 -22.4   1   16.783 ? 87  ILE   A H    1 c 2 
ATOM   2942 H HA   . ILE   B 1 75  ? -10.172 -8.939  -22.3   1   16.931 ? 87  ILE   A HA   1 c 2 
ATOM   2943 H HB   . ILE   B 1 75  ? -8.442  -9.272  -23.885 1   17.01  ? 87  ILE   A HB   1 c 2 
ATOM   2944 H HG12 . ILE   B 1 75  ? -9.168  -12.015 -23.908 1   17.528 ? 87  ILE   A HG12 1 c 2 
ATOM   2945 H HG13 . ILE   B 1 75  ? -9.47   -11.03  -25.11  1   17.352 ? 87  ILE   A HG13 1 c 2 
ATOM   2946 H HG21 . ILE   B 1 75  ? -7.08   -10.421 -22.4   1   17.79  ? 87  ILE   A HG21 1 c 2 
ATOM   2947 H HG22 . ILE   B 1 75  ? -8.352  -11.026 -21.671 1   18.004 ? 87  ILE   A HG22 1 c 2 
ATOM   2948 H HG23 . ILE   B 1 75  ? -8.053  -9.47   -21.586 1   18.084 ? 87  ILE   A HG23 1 c 2 
ATOM   2949 H HD11 . ILE   B 1 75  ? -7.091  -10.707 -25.342 1   18.183 ? 87  ILE   A HD11 1 c 2 
ATOM   2950 H HD12 . ILE   B 1 75  ? -7.566  -12.188 -25.681 1   18.301 ? 87  ILE   A HD12 1 c 2 
ATOM   2951 H HD13 . ILE   B 1 75  ? -6.888  -11.872 -24.275 1   18.287 ? 87  ILE   A HD13 1 c 2 
ATOM   2952 N N    . LYS   B 1 76  ? -10.786 -7.726  -24.443 1   18.12  ? 88  LYS   A N    1 ? 2 
ATOM   2953 C CA   . LYS   B 1 76  ? -11.535 -6.964  -25.427 1   17.286 ? 88  LYS   A CA   1 ? 2 
ATOM   2954 C C    . LYS   B 1 76  ? -11.495 -7.659  -26.779 1   17.729 ? 88  LYS   A C    1 ? 2 
ATOM   2955 O O    . LYS   B 1 76  ? -12.49  -7.677  -27.534 1   17.235 ? 88  LYS   A O    1 ? 2 
ATOM   2956 C CB   . LYS   B 1 76  ? -11.031 -5.499  -25.406 1   19.764 ? 88  LYS   A CB   1 ? 2 
ATOM   2957 H H    . LYS   B 1 76  ? -10.109 -7.308  -23.992 1   17.639 ? 88  LYS   A H    1 c 2 
ATOM   2958 H HA   . LYS   B 1 76  ? -12.48  -6.946  -25.13  1   18.155 ? 88  LYS   A HA   1 c 2 
ATOM   2959 H HB2  . LYS   B 1 76  ? -10.049 -5.527  -25.435 0   30     ? 88  LYS   A HB2  1 c 2 
ATOM   2960 H HB3  . LYS   B 1 76  ? -11.801 -4.906  -25.438 0   30     ? 88  LYS   A HB3  1 c 2 
ATOM   2961 N N    . ALA   B 1 77  ? -10.325 -8.182  -27.148 1   19.9   ? 89  ALA   A N    1 ? 2 
ATOM   2962 C CA   . ALA   B 1 77  ? -10.181 -8.879  -28.409 1   19.561 ? 89  ALA   A CA   1 ? 2 
ATOM   2963 C C    . ALA   B 1 77  ? -11.166 -10.026 -28.624 1   20.431 ? 89  ALA   A C    1 ? 2 
ATOM   2964 O O    . ALA   B 1 77  ? -11.601 -10.25  -29.758 1   18.646 ? 89  ALA   A O    1 ? 2 
ATOM   2965 C CB   . ALA   B 1 77  ? -8.785  -9.401  -28.628 1   20.201 ? 89  ALA   A CB   1 ? 2 
ATOM   2966 H H    . ALA   B 1 77  ? -9.596  -8.096  -26.603 1   19.027 ? 89  ALA   A H    1 c 2 
ATOM   2967 H HA   . ALA   B 1 77  ? -10.363 -8.21   -29.125 1   20.386 ? 89  ALA   A HA   1 c 2 
ATOM   2968 H HB1  . ALA   B 1 77  ? -8.167  -8.656  -28.717 1   20.233 ? 89  ALA   A HB1  1 c 2 
ATOM   2969 H HB2  . ALA   B 1 77  ? -8.519  -9.95   -27.871 1   19.662 ? 89  ALA   A HB2  1 c 2 
ATOM   2970 H HB3  . ALA   B 1 77  ? -8.758  -9.938  -29.438 1   20.346 ? 89  ALA   A HB3  1 c 2 
ATOM   2971 N N    . TRP   B 1 78  ? -11.528 -10.732 -27.553 1   18.012 ? 90  TRP   A N    1 ? 2 
ATOM   2972 C CA   . TRP   B 1 78  ? -12.503 -11.787 -27.69  1   19.388 ? 90  TRP   A CA   1 ? 2 
ATOM   2973 C C    . TRP   B 1 78  ? -13.918 -11.249 -27.859 1   18.98  ? 90  TRP   A C    1 ? 2 
ATOM   2974 O O    . TRP   B 1 78  ? -14.654 -11.832 -28.652 1   21.481 ? 90  TRP   A O    1 ? 2 
ATOM   2975 C CB   . TRP   B 1 78  ? -12.452 -12.767 -26.507 1   17.154 ? 90  TRP   A CB   1 ? 2 
ATOM   2976 C CG   . TRP   B 1 78  ? -11.514 -13.925 -26.649 1   19.808 ? 90  TRP   A CG   1 ? 2 
ATOM   2977 C CD1  . TRP   B 1 78  ? -10.183 -13.934 -26.971 1   19.517 ? 90  TRP   A CD1  1 ? 2 
ATOM   2978 C CD2  . TRP   B 1 78  ? -11.878 -15.289 -26.381 1   17.781 ? 90  TRP   A CD2  1 ? 2 
ATOM   2979 N NE1  . TRP   B 1 78  ? -9.709  -15.237 -26.999 1   19.622 ? 90  TRP   A NE1  1 ? 2 
ATOM   2980 C CE2  . TRP   B 1 78  ? -10.739 -16.087 -26.632 1   19.036 ? 90  TRP   A CE2  1 ? 2 
ATOM   2981 C CE3  . TRP   B 1 78  ? -13.059 -15.91  -25.984 1   18.371 ? 90  TRP   A CE3  1 ? 2 
ATOM   2982 C CZ2  . TRP   B 1 78  ? -10.748 -17.478 -26.477 1   21.108 ? 90  TRP   A CZ2  1 ? 2 
ATOM   2983 C CZ3  . TRP   B 1 78  ? -13.045 -17.271 -25.785 1   21.1   ? 90  TRP   A CZ3  1 ? 2 
ATOM   2984 C CH2  . TRP   B 1 78  ? -11.917 -18.062 -26.042 1   21.541 ? 90  TRP   A CH2  1 ? 2 
ATOM   2985 H H    . TRP   B 1 78  ? -11.161 -10.558 -26.734 1   18.445 ? 90  TRP   A H    1 c 2 
ATOM   2986 H HA   . TRP   B 1 78  ? -12.274 -12.302 -28.511 1   18.946 ? 90  TRP   A HA   1 c 2 
ATOM   2987 H HB2  . TRP   B 1 78  ? -12.21  -12.265 -25.7   1   17.915 ? 90  TRP   A HB2  1 c 2 
ATOM   2988 H HB3  . TRP   B 1 78  ? -13.357 -13.117 -26.36  1   18.563 ? 90  TRP   A HB3  1 c 2 
ATOM   2989 H HD1  . TRP   B 1 78  ? -9.676  -13.177 -27.219 1   19.117 ? 90  TRP   A HD1  1 c 2 
ATOM   2990 H HE1  . TRP   B 1 78  ? -8.899  -15.475 -27.191 1   19.532 ? 90  TRP   A HE1  1 c 2 
ATOM   2991 H HE3  . TRP   B 1 78  ? -13.83  -15.402 -25.799 1   18.793 ? 90  TRP   A HE3  1 c 2 
ATOM   2992 H HZ2  . TRP   B 1 78  ? -9.97   -17.989 -26.623 1   21.12  ? 90  TRP   A HZ2  1 c 2 
ATOM   2993 H HZ3  . TRP   B 1 78  ? -13.845 -17.696 -25.526 1   21.429 ? 90  TRP   A HZ3  1 c 2 
ATOM   2994 H HH2  . TRP   B 1 78  ? -11.962 -18.993 -25.926 1   22.491 ? 90  TRP   A HH2  1 c 2 
ATOM   2995 N N    . ASP   B 1 79  ? -14.297 -10.217 -27.113 1   17.581 ? 91  ASP   A N    1 ? 2 
ATOM   2996 C CA   . ASP   B 1 79  ? -15.605 -9.608  -27.314 1   17.754 ? 91  ASP   A CA   1 ? 2 
ATOM   2997 C C    . ASP   B 1 79  ? -15.741 -9.089  -28.742 1   20.59  ? 91  ASP   A C    1 ? 2 
ATOM   2998 O O    . ASP   B 1 79  ? -16.813 -9.243  -29.351 1   22.776 ? 91  ASP   A O    1 ? 2 
ATOM   2999 C CB   . ASP   B 1 79  ? -15.885 -8.523  -26.316 1   20.416 ? 91  ASP   A CB   1 ? 2 
ATOM   3000 C CG   . ASP   B 1 79  ? -16.399 -8.97   -24.938 1   19.416 ? 91  ASP   A CG   1 ? 2 
ATOM   3001 O OD1  . ASP   B 1 79  ? -16.919 -10.094 -24.827 1   19.455 ? 91  ASP   A OD1  1 ? 2 
ATOM   3002 O OD2  . ASP   B 1 79  ? -16.297 -8.137  -23.991 1   19.908 ? 91  ASP   A OD2  1 ? 2 
ATOM   3003 H H    . ASP   B 1 79  ? -13.742 -9.887  -26.466 1   17.516 ? 91  ASP   A H    1 c 2 
ATOM   3004 H HA   . ASP   B 1 79  ? -16.285 -10.306 -27.182 1   19.066 ? 91  ASP   A HA   1 c 2 
ATOM   3005 H HB2  . ASP   B 1 79  ? -15.063 -8.007  -26.177 1   19.201 ? 91  ASP   A HB2  1 c 2 
ATOM   3006 H HB3  . ASP   B 1 79  ? -16.554 -7.915  -26.696 1   20.022 ? 91  ASP   A HB3  1 c 2 
ATOM   3007 N N    . ILE   B 1 80  ? -14.633 -8.566  -29.302 1   20.286 ? 92  ILE   A N    1 ? 2 
ATOM   3008 C CA   . ILE   B 1 80  ? -14.627 -8.101  -30.695 1   22.562 ? 92  ILE   A CA   1 ? 2 
ATOM   3009 C C    . ILE   B 1 80  ? -14.679 -9.273  -31.681 1   21.143 ? 92  ILE   A C    1 ? 2 
ATOM   3010 O O    . ILE   B 1 80  ? -15.495 -9.291  -32.615 1   21.765 ? 92  ILE   A O    1 ? 2 
ATOM   3011 C CB   . ILE   B 1 80  ? -13.419 -7.173  -30.947 1   23.427 ? 92  ILE   A CB   1 ? 2 
ATOM   3012 C CG1  . ILE   B 1 80  ? -13.546 -5.85   -30.193 1   23.434 ? 92  ILE   A CG1  1 ? 2 
ATOM   3013 C CG2  . ILE   B 1 80  ? -13.19  -6.888  -32.42  1   25.273 ? 92  ILE   A CG2  1 ? 2 
ATOM   3014 C CD1  . ILE   B 1 80  ? -12.194 -5.156  -30.117 1   28.338 ? 92  ILE   A CD1  1 ? 2 
ATOM   3015 H H    . ILE   B 1 80  ? -13.869 -8.487  -28.807 1   20.163 ? 92  ILE   A H    1 c 2 
ATOM   3016 H HA   . ILE   B 1 80  ? -15.435 -7.568  -30.828 1   22.571 ? 92  ILE   A HA   1 c 2 
ATOM   3017 H HB   . ILE   B 1 80  ? -12.624 -7.63   -30.608 1   22.861 ? 92  ILE   A HB   1 c 2 
ATOM   3018 H HG12 . ILE   B 1 80  ? -14.185 -5.27   -30.656 1   25.226 ? 92  ILE   A HG12 1 c 2 
ATOM   3019 H HG13 . ILE   B 1 80  ? -13.877 -6.019  -29.288 1   23.989 ? 92  ILE   A HG13 1 c 2 
ATOM   3020 H HG21 . ILE   B 1 80  ? -12.557 -6.16   -32.522 1   25.412 ? 92  ILE   A HG21 1 c 2 
ATOM   3021 H HG22 . ILE   B 1 80  ? -14.033 -6.642  -32.839 1   25.718 ? 92  ILE   A HG22 1 c 2 
ATOM   3022 H HG23 . ILE   B 1 80  ? -12.835 -7.682  -32.855 1   25.082 ? 92  ILE   A HG23 1 c 2 
ATOM   3023 H HD11 . ILE   B 1 80  ? -11.491 -5.812  -29.95  1   26.171 ? 92  ILE   A HD11 1 c 2 
ATOM   3024 H HD12 . ILE   B 1 80  ? -12.208 -4.506  -29.39  1   26.808 ? 92  ILE   A HD12 1 c 2 
ATOM   3025 H HD13 . ILE   B 1 80  ? -12.012 -4.694  -30.957 1   27.551 ? 92  ILE   A HD13 1 c 2 
ATOM   3026 N N    . GLY   B 1 81  ? -13.798 -10.238 -31.485 1   20.427 ? 93  GLY   A N    1 ? 2 
ATOM   3027 C CA   . GLY   B 1 81  ? -13.552 -11.32  -32.427 1   20.827 ? 93  GLY   A CA   1 ? 2 
ATOM   3028 C C    . GLY   B 1 81  ? -14.65  -12.384 -32.471 1   21.323 ? 93  GLY   A C    1 ? 2 
ATOM   3029 O O    . GLY   B 1 81  ? -15.079 -12.802 -33.537 1   20.638 ? 93  GLY   A O    1 ? 2 
ATOM   3030 H H    . GLY   B 1 81  ? -13.309 -10.226 -30.712 1   19.776 ? 93  GLY   A H    1 c 2 
ATOM   3031 H HA2  . GLY   B 1 81  ? -13.448 -10.933 -33.326 1   21.649 ? 93  GLY   A HA2  1 c 2 
ATOM   3032 H HA3  . GLY   B 1 81  ? -12.697 -11.752 -32.191 1   20.561 ? 93  GLY   A HA3  1 c 2 
ATOM   3033 N N    . VAL   B 1 82  ? -15.08  -12.862 -31.263 1   22.342 ? 94  VAL   A N    1 ? 2 
ATOM   3034 C CA   . VAL   B 1 82  ? -16.104 -13.874 -31.22  1   22.839 ? 94  VAL   A CA   1 ? 2 
ATOM   3035 C C    . VAL   B 1 82  ? -17.426 -13.323 -31.772 1   24.407 ? 94  VAL   A C    1 ? 2 
ATOM   3036 O O    . VAL   B 1 82  ? -18.201 -14.099 -32.377 1   25.396 ? 94  VAL   A O    1 ? 2 
ATOM   3037 C CB   . VAL   B 1 82  ? -16.242 -14.497 -29.828 1   23.035 ? 94  VAL   A CB   1 ? 2 
ATOM   3038 C CG1  . VAL   B 1 82  ? -17.401 -15.477 -29.76  1   27.429 ? 94  VAL   A CG1  1 ? 2 
ATOM   3039 C CG2  . VAL   B 1 82  ? -14.96  -15.224 -29.511 1   23.004 ? 94  VAL   A CG2  1 ? 2 
ATOM   3040 H H    . VAL   B 1 82  ? -14.726 -12.542 -30.484 1   21.146 ? 94  VAL   A H    1 c 2 
ATOM   3041 H HA   . VAL   B 1 82  ? -15.821 -14.589 -31.823 1   23.752 ? 94  VAL   A HA   1 c 2 
ATOM   3042 H HB   . VAL   B 1 82  ? -16.383 -13.77  -29.178 1   22.96  ? 94  VAL   A HB   1 c 2 
ATOM   3043 H HG11 . VAL   B 1 82  ? -17.461 -15.969 -30.596 1   27.182 ? 94  VAL   A HG11 1 c 2 
ATOM   3044 H HG12 . VAL   B 1 82  ? -18.23  -14.992 -29.61  1   26.6   ? 94  VAL   A HG12 1 c 2 
ATOM   3045 H HG13 . VAL   B 1 82  ? -17.256 -16.101 -29.029 1   26.469 ? 94  VAL   A HG13 1 c 2 
ATOM   3046 H HG21 . VAL   B 1 82  ? -15.033 -15.647 -28.639 1   22.879 ? 94  VAL   A HG21 1 c 2 
ATOM   3047 H HG22 . VAL   B 1 82  ? -14.221 -14.594 -29.502 1   22.211 ? 94  VAL   A HG22 1 c 2 
ATOM   3048 H HG23 . VAL   B 1 82  ? -14.796 -15.904 -30.186 1   23.604 ? 94  VAL   A HG23 1 c 2 
ATOM   3049 N N    . ALA   B 1 83  ? -17.64  -11.994 -31.664 1   21.237 ? 95  ALA   A N    1 ? 2 
ATOM   3050 C CA   . ALA   B 1 83  ? -18.842 -11.357 -32.198 1   22.19  ? 95  ALA   A CA   1 ? 2 
ATOM   3051 C C    . ALA   B 1 83  ? -18.927 -11.479 -33.708 1   25.544 ? 95  ALA   A C    1 ? 2 
ATOM   3052 O O    . ALA   B 1 83  ? -20.076 -11.5   -34.199 1   26.794 ? 95  ALA   A O    1 ? 2 
ATOM   3053 C CB   . ALA   B 1 83  ? -18.959 -9.841  -31.859 1   23.408 ? 95  ALA   A CB   1 ? 2 
ATOM   3054 H H    . ALA   B 1 83  ? -17.026 -11.473 -31.232 1   21.111 ? 95  ALA   A H    1 c 2 
ATOM   3055 H HA   . ALA   B 1 83  ? -19.629 -11.829 -31.811 1   23.247 ? 95  ALA   A HA   1 c 2 
ATOM   3056 H HB1  . ALA   B 1 83  ? -18.981 -9.722  -30.895 1   22.387 ? 95  ALA   A HB1  1 c 2 
ATOM   3057 H HB2  . ALA   B 1 83  ? -18.194 -9.365  -32.223 1   22.73  ? 95  ALA   A HB2  1 c 2 
ATOM   3058 H HB3  . ALA   B 1 83  ? -19.775 -9.481  -32.246 1   23.815 ? 95  ALA   A HB3  1 c 2 
ATOM   3059 N N    . THR   B 1 84  ? -17.789 -11.661 -34.38  1   25.671 ? 96  THR   A N    1 ? 2 
ATOM   3060 C CA   . THR   B 1 84  ? -17.787 -11.842 -35.849 1   28.126 ? 96  THR   A CA   1 ? 2 
ATOM   3061 C C    . THR   B 1 84  ? -17.976 -13.286 -36.317 1   27.902 ? 96  THR   A C    1 ? 2 
ATOM   3062 O O    . THR   B 1 84  ? -18.136 -13.499 -37.51  1   32.892 ? 96  THR   A O    1 ? 2 
ATOM   3063 C CB   . THR   B 1 84  ? -16.48  -11.354 -36.434 1   28.5   ? 96  THR   A CB   1 ? 2 
ATOM   3064 O OG1  . THR   B 1 84  ? -15.418 -12.265 -36.146 1   27.153 ? 96  THR   A OG1  1 ? 2 
ATOM   3065 C CG2  . THR   B 1 84  ? -16.15  -9.955  -35.986 1   29.326 ? 96  THR   A CG2  1 ? 2 
ATOM   3066 H H    . THR   B 1 84  ? -16.992 -11.663 -33.935 1   24.936 ? 96  THR   A H    1 c 2 
ATOM   3067 H HA   . THR   B 1 84  ? -18.513 -11.297 -36.224 1   28.53  ? 96  THR   A HA   1 c 2 
ATOM   3068 H HB   . THR   B 1 84  ? -16.591 -11.315 -37.414 1   29.913 ? 96  THR   A HB   1 c 2 
ATOM   3069 H HG1  . THR   B 1 84  ? -15.343 -12.337 -35.272 0   30     ? 96  THR   A HG1  1 c 2 
ATOM   3070 H HG21 . THR   B 1 84  ? -15.51  -9.56   -36.601 1   29.371 ? 96  THR   A HG21 1 c 2 
ATOM   3071 H HG22 . THR   B 1 84  ? -15.767 -9.982  -35.094 1   27.575 ? 96  THR   A HG22 1 c 2 
ATOM   3072 H HG23 . THR   B 1 84  ? -16.96  -9.418  -35.974 1   29.16  ? 96  THR   A HG23 1 c 2 
ATOM   3073 N N    . MET   B 1 85  ? -18.028 -14.264 -35.43  1   26.669 ? 97  MET   A N    1 ? 2 
ATOM   3074 C CA   . MET   B 1 85  ? -18.025 -15.653 -35.807 1   29.223 ? 97  MET   A CA   1 ? 2 
ATOM   3075 C C    . MET   B 1 85  ? -19.428 -16.245 -35.938 1   33.737 ? 97  MET   A C    1 ? 2 
ATOM   3076 O O    . MET   B 1 85  ? -20.346 -15.817 -35.262 1   29.551 ? 97  MET   A O    1 ? 2 
ATOM   3077 C CB   . MET   B 1 85  ? -17.22  -16.437 -34.776 1   28.408 ? 97  MET   A CB   1 ? 2 
ATOM   3078 C CG   . MET   B 1 85  ? -15.762 -15.988 -34.717 1   27.667 ? 97  MET   A CG   1 ? 2 
ATOM   3079 S SD   . MET   B 1 85  ? -14.873 -16.982 -33.471 1   27.171 ? 97  MET   A SD   1 ? 2 
ATOM   3080 C CE   . MET   B 1 85  ? -14.91  -18.623 -34.2   1   27.873 ? 97  MET   A CE   1 ? 2 
ATOM   3081 H H    . MET   B 1 85  ? -18.069 -14.056 -34.541 1   26.12  ? 97  MET   A H    1 c 2 
ATOM   3082 H HA   . MET   B 1 85  ? -17.576 -15.728 -36.685 1   30.402 ? 97  MET   A HA   1 c 2 
ATOM   3083 H HB2  . MET   B 1 85  ? -17.631 -16.318 -33.893 1   27.711 ? 97  MET   A HB2  1 c 2 
ATOM   3084 H HB3  . MET   B 1 85  ? -17.258 -17.39  -35.003 1   29.512 ? 97  MET   A HB3  1 c 2 
ATOM   3085 H HG2  . MET   B 1 85  ? -15.339 -16.108 -35.589 1   28.521 ? 97  MET   A HG2  1 c 2 
ATOM   3086 H HG3  . MET   B 1 85  ? -15.712 -15.045 -34.475 1   26.705 ? 97  MET   A HG3  1 c 2 
ATOM   3087 H HE1  . MET   B 1 85  ? -14.392 -19.234 -33.646 1   28.142 ? 97  MET   A HE1  1 c 2 
ATOM   3088 H HE2  . MET   B 1 85  ? -15.831 -18.936 -34.25  1   29.04  ? 97  MET   A HE2  1 c 2 
ATOM   3089 H HE3  . MET   B 1 85  ? -14.527 -18.589 -35.096 1   29.021 ? 97  MET   A HE3  1 c 2 
ATOM   3090 N N    . LYS   B 1 86  ? -19.589 -17.172 -36.917 1   35.099 ? 98  LYS   A N    1 ? 2 
ATOM   3091 C CA   . LYS   B 1 86  ? -20.763 -18.019 -37.081 1   38.524 ? 98  LYS   A CA   1 ? 2 
ATOM   3092 C C    . LYS   B 1 86  ? -20.67  -19.318 -36.297 1   35.673 ? 98  LYS   A C    1 ? 2 
ATOM   3093 O O    . LYS   B 1 86  ? -19.569 -19.779 -35.962 1   35.383 ? 98  LYS   A O    1 ? 2 
ATOM   3094 C CB   . LYS   B 1 86  ? -20.954 -18.324 -38.565 1   46.134 ? 98  LYS   A CB   1 ? 2 
ATOM   3095 C CG   . LYS   B 1 86  ? -21.341 -17.08  -39.349 1   49.344 ? 98  LYS   A CG   1 ? 2 
ATOM   3096 C CD   . LYS   B 1 86  ? -21.022 -17.112 -40.846 1   61.701 ? 98  LYS   A CD   1 ? 2 
ATOM   3097 C CE   . LYS   B 1 86  ? -21.253 -15.746 -41.452 1   67.981 ? 98  LYS   A CE   1 ? 2 
ATOM   3098 N NZ   . LYS   B 1 86  ? -20.085 -15.189 -42.145 1   70.746 ? 98  LYS   A NZ   1 ? 2 
ATOM   3099 H H    . LYS   B 1 86  ? -18.908 -17.273 -37.518 1   36.029 ? 98  LYS   A H    1 c 2 
ATOM   3100 H HA   . LYS   B 1 86  ? -21.555 -17.516 -36.762 1   38.12  ? 98  LYS   A HA   1 c 2 
ATOM   3101 H HB2  . LYS   B 1 86  ? -20.122 -18.688 -38.934 1   45.688 ? 98  LYS   A HB2  1 c 2 
ATOM   3102 H HB3  . LYS   B 1 86  ? -21.658 -18.999 -38.672 1   46.878 ? 98  LYS   A HB3  1 c 2 
ATOM   3103 H HG2  . LYS   B 1 86  ? -22.306 -16.937 -39.238 1   51.151 ? 98  LYS   A HG2  1 c 2 
ATOM   3104 H HG3  . LYS   B 1 86  ? -20.884 -16.31  -38.948 1   48.997 ? 98  LYS   A HG3  1 c 2 
ATOM   3105 H HD2  . LYS   B 1 86  ? -20.085 -17.372 -40.977 1   60.207 ? 98  LYS   A HD2  1 c 2 
ATOM   3106 H HD3  . LYS   B 1 86  ? -21.596 -17.769 -41.294 1   62.161 ? 98  LYS   A HD3  1 c 2 
ATOM   3107 H HE2  . LYS   B 1 86  ? -21.991 -15.803 -42.085 1   68.843 ? 98  LYS   A HE2  1 c 2 
ATOM   3108 H HE3  . LYS   B 1 86  ? -21.516 -15.124 -40.75  1   65.401 ? 98  LYS   A HE3  1 c 2 
ATOM   3109 H HZ1  . LYS   B 1 86  ? -19.924 -15.662 -42.901 1   71.574 ? 98  LYS   A HZ1  1 c 2 
ATOM   3110 H HZ2  . LYS   B 1 86  ? -19.356 -15.232 -41.607 1   68.378 ? 98  LYS   A HZ2  1 c 2 
ATOM   3111 H HZ3  . LYS   B 1 86  ? -20.242 -14.324 -42.363 1   69.891 ? 98  LYS   A HZ3  1 c 2 
ATOM   3112 N N    . LYS   B 1 87  ? -21.851 -19.909 -36.032 1   35.806 ? 99  LYS   A N    1 ? 2 
ATOM   3113 C CA   . LYS   B 1 87  ? -21.959 -21.227 -35.416 1   36.754 ? 99  LYS   A CA   1 ? 2 
ATOM   3114 C C    . LYS   B 1 87  ? -21.124 -22.195 -36.252 1   39.518 ? 99  LYS   A C    1 ? 2 
ATOM   3115 O O    . LYS   B 1 87  ? -21.377 -22.313 -37.438 1   42.275 ? 99  LYS   A O    1 ? 2 
ATOM   3116 C CB   . LYS   B 1 87  ? -23.426 -21.673 -35.278 1   38.026 ? 99  LYS   A CB   1 ? 2 
ATOM   3117 H H    . LYS   B 1 87  ? -22.621 -19.465 -36.248 1   36.552 ? 99  LYS   A H    1 c 2 
ATOM   3118 H HA   . LYS   B 1 87  ? -21.566 -21.173 -34.508 1   35.536 ? 99  LYS   A HA   1 c 2 
ATOM   3119 H HB2  . LYS   B 1 87  ? -23.421 -22.598 -34.981 0   30     ? 99  LYS   A HB2  1 c 2 
ATOM   3120 H HB3  . LYS   B 1 87  ? -23.984 -20.908 -35.509 0   30     ? 99  LYS   A HB3  1 c 2 
ATOM   3121 N N    . GLY   B 1 88  ? -20.194 -22.902 -35.609 1   39.358 ? 100 GLY   A N    1 ? 2 
ATOM   3122 C CA   . GLY   B 1 88  ? -19.37  -23.915 -36.268 1   44.126 ? 100 GLY   A CA   1 ? 2 
ATOM   3123 C C    . GLY   B 1 88  ? -18.088 -23.365 -36.893 1   40.566 ? 100 GLY   A C    1 ? 2 
ATOM   3124 O O    . GLY   B 1 88  ? -17.245 -24.133 -37.364 1   43.422 ? 100 GLY   A O    1 ? 2 
ATOM   3125 H H    . GLY   B 1 88  ? -20.062 -22.749 -34.717 1   38.603 ? 100 GLY   A H    1 c 2 
ATOM   3126 H HA2  . GLY   B 1 88  ? -19.132 -24.605 -35.604 1   43.043 ? 100 GLY   A HA2  1 c 2 
ATOM   3127 H HA3  . GLY   B 1 88  ? -19.907 -24.353 -36.969 1   44.823 ? 100 GLY   A HA3  1 c 2 
ATOM   3128 N N    . GLU   B 1 89  ? -17.935 -22.057 -36.922 1   37.31  ? 101 GLU   A N    1 ? 2 
ATOM   3129 C CA   . GLU   B 1 89  ? -16.709 -21.417 -37.391 1   36.851 ? 101 GLU   A CA   1 ? 2 
ATOM   3130 C C    . GLU   B 1 89  ? -15.505 -21.724 -36.473 1   35.441 ? 101 GLU   A C    1 ? 2 
ATOM   3131 O O    . GLU   B 1 89  ? -15.589 -21.782 -35.236 1   32.646 ? 101 GLU   A O    1 ? 2 
ATOM   3132 C CB   . GLU   B 1 89  ? -16.893 -19.902 -37.489 1   36.415 ? 101 GLU   A CB   1 ? 2 
ATOM   3133 C CG   . GLU   B 1 89  ? -15.741 -19.055 -38.052 1   33.626 ? 101 GLU   A CG   1 ? 2 
ATOM   3134 C CD   . GLU   B 1 89  ? -16.074 -17.599 -38.254 1   33.843 ? 101 GLU   A CD   1 ? 2 
ATOM   3135 O OE1  . GLU   B 1 89  ? -17.223 -17.308 -38.728 1   33.34  ? 101 GLU   A OE1  1 ? 2 
ATOM   3136 O OE2  . GLU   B 1 89  ? -15.186 -16.735 -37.977 1   32.671 ? 101 GLU   A OE2  1 ? 2 
ATOM   3137 H H    . GLU   B 1 89  ? -18.619 -21.523 -36.639 1   37.064 ? 101 GLU   A H    1 c 2 
ATOM   3138 H HA   . GLU   B 1 89  ? -16.513 -21.764 -38.295 1   38.636 ? 101 GLU   A HA   1 c 2 
ATOM   3139 H HB2  . GLU   B 1 89  ? -17.685 -19.728 -38.04  1   36.621 ? 101 GLU   A HB2  1 c 2 
ATOM   3140 H HB3  . GLU   B 1 89  ? -17.083 -19.56  -36.591 1   34.128 ? 101 GLU   A HB3  1 c 2 
ATOM   3141 H HG2  . GLU   B 1 89  ? -14.975 -19.115 -37.442 1   33.24  ? 101 GLU   A HG2  1 c 2 
ATOM   3142 H HG3  . GLU   B 1 89  ? -15.462 -19.431 -38.913 1   35.967 ? 101 GLU   A HG3  1 c 2 
ATOM   3143 N N    . ILE   B 1 90  ? -14.335 -21.846 -37.11  1   35.009 ? 102 ILE   A N    1 ? 2 
ATOM   3144 C CA   . ILE   B 1 90  ? -13.052 -21.859 -36.416 1   35.469 ? 102 ILE   A CA   1 ? 2 
ATOM   3145 C C    . ILE   B 1 90  ? -12.23  -20.728 -36.995 1   32.127 ? 102 ILE   A C    1 ? 2 
ATOM   3146 O O    . ILE   B 1 90  ? -12.103 -20.621 -38.179 1   32.201 ? 102 ILE   A O    1 ? 2 
ATOM   3147 C CB   . ILE   B 1 90  ? -12.274 -23.184 -36.528 1   35.276 ? 102 ILE   A CB   1 ? 2 
ATOM   3148 C CG1  . ILE   B 1 90  ? -13.084 -24.38  -36.003 1   38.807 ? 102 ILE   A CG1  1 ? 2 
ATOM   3149 C CG2  . ILE   B 1 90  ? -10.942 -23.039 -35.785 1   34.614 ? 102 ILE   A CG2  1 ? 2 
ATOM   3150 C CD1  . ILE   B 1 90  ? -12.501 -25.754 -36.276 1   42.829 ? 102 ILE   A CD1  1 ? 2 
ATOM   3151 H H    . ILE   B 1 90  ? -14.335 -21.927 -38.02  1   37.038 ? 102 ILE   A H    1 c 2 
ATOM   3152 H HA   . ILE   B 1 90  ? -13.211 -21.678 -35.474 1   32.837 ? 102 ILE   A HA   1 c 2 
ATOM   3153 H HB   . ILE   B 1 90  ? -12.08  -23.342 -37.474 1   37.682 ? 102 ILE   A HB   1 c 2 
ATOM   3154 H HG12 . ILE   B 1 90  ? -13.188 -24.278 -35.036 1   37.308 ? 102 ILE   A HG12 1 c 2 
ATOM   3155 H HG13 . ILE   B 1 90  ? -13.978 -24.343 -36.399 1   39.376 ? 102 ILE   A HG13 1 c 2 
ATOM   3156 H HG21 . ILE   B 1 90  ? -10.555 -23.917 -35.633 1   35.571 ? 102 ILE   A HG21 1 c 2 
ATOM   3157 H HG22 . ILE   B 1 90  ? -11.091 -22.601 -34.931 1   32.743 ? 102 ILE   A HG22 1 c 2 
ATOM   3158 H HG23 . ILE   B 1 90  ? -10.327 -22.507 -36.317 1   34.249 ? 102 ILE   A HG23 1 c 2 
ATOM   3159 H HD11 . ILE   B 1 90  ? -12.424 -25.891 -37.24  1   43.952 ? 102 ILE   A HD11 1 c 2 
ATOM   3160 H HD12 . ILE   B 1 90  ? -13.09  -26.435 -35.899 1   43.431 ? 102 ILE   A HD12 1 c 2 
ATOM   3161 H HD13 . ILE   B 1 90  ? -11.619 -25.83  -35.867 1   41.802 ? 102 ILE   A HD13 1 c 2 
ATOM   3162 N N    . ALA   B 1 91  ? -11.703 -19.869 -36.136 1   29.448 ? 103 ALA   A N    1 ? 2 
ATOM   3163 C CA   . ALA   B 1 91  ? -10.933 -18.701 -36.555 1   29.642 ? 103 ALA   A CA   1 ? 2 
ATOM   3164 C C    . ALA   B 1 91  ? -9.616  -18.614 -35.792 1   30.378 ? 103 ALA   A C    1 ? 2 
ATOM   3165 O O    . ALA   B 1 91  ? -9.516  -19.121 -34.638 1   27.278 ? 103 ALA   A O    1 ? 2 
ATOM   3166 C CB   . ALA   B 1 91  ? -11.78  -17.473 -36.243 1   29.131 ? 103 ALA   A CB   1 ? 2 
ATOM   3167 H H    . ALA   B 1 91  ? -11.823 -20.01  -35.241 1   28.85  ? 103 ALA   A H    1 c 2 
ATOM   3168 H HA   . ALA   B 1 91  ? -10.748 -18.757 -37.531 1   31.354 ? 103 ALA   A HA   1 c 2 
ATOM   3169 H HB1  . ALA   B 1 91  ? -12.612 -17.514 -36.743 1   29.674 ? 103 ALA   A HB1  1 c 2 
ATOM   3170 H HB2  . ALA   B 1 91  ? -11.978 -17.445 -35.292 1   27.651 ? 103 ALA   A HB2  1 c 2 
ATOM   3171 H HB3  . ALA   B 1 91  ? -11.295 -16.669 -36.494 1   28.484 ? 103 ALA   A HB3  1 c 2 
ATOM   3172 N N    . HIS   B 1 92  ? -8.652  -17.936 -36.415 1   26.524 ? 104 HIS   A N    1 ? 2 
ATOM   3173 C CA   . HIS   B 1 92  ? -7.436  -17.586 -35.706 1   27.376 ? 104 HIS   A CA   1 ? 2 
ATOM   3174 C C    . HIS   B 1 92  ? -7.468  -16.091 -35.405 1   26.484 ? 104 HIS   A C    1 ? 2 
ATOM   3175 O O    . HIS   B 1 92  ? -7.817  -15.282 -36.275 1   29.76  ? 104 HIS   A O    1 ? 2 
ATOM   3176 C CB   . HIS   B 1 92  ? -6.195  -17.912 -36.533 1   26.908 ? 104 HIS   A CB   1 ? 2 
ATOM   3177 C CG   . HIS   B 1 92  ? -5.864  -19.371 -36.624 1   28.519 ? 104 HIS   A CG   1 ? 2 
ATOM   3178 N ND1  . HIS   B 1 92  ? -4.904  -19.88  -37.447 1   29.539 ? 104 HIS   A ND1  1 ? 2 
ATOM   3179 C CD2  . HIS   B 1 92  ? -6.372  -20.397 -35.949 1   27.902 ? 104 HIS   A CD2  1 ? 2 
ATOM   3180 C CE1  . HIS   B 1 92  ? -4.784  -21.199 -37.238 1   30.189 ? 104 HIS   A CE1  1 ? 2 
ATOM   3181 N NE2  . HIS   B 1 92  ? -5.664  -21.525 -36.301 1   27.59  ? 104 HIS   A NE2  1 ? 2 
ATOM   3182 H H    . HIS   B 1 92  ? -8.75   -17.688 -37.289 1   28.882 ? 104 HIS   A H    1 c 2 
ATOM   3183 H HA   . HIS   B 1 92  ? -7.402  -18.079 -34.853 1   25.999 ? 104 HIS   A HA   1 c 2 
ATOM   3184 H HB2  . HIS   B 1 92  ? -6.324  -17.56  -37.441 1   28.401 ? 104 HIS   A HB2  1 c 2 
ATOM   3185 H HB3  . HIS   B 1 92  ? -5.428  -17.438 -36.144 1   26.709 ? 104 HIS   A HB3  1 c 2 
ATOM   3186 H HD1  . HIS   B 1 92  ? -4.422  -19.407 -38.004 0   30     ? 104 HIS   A HD1  1 c 2 
ATOM   3187 H HD2  . HIS   B 1 92  ? -7.028  -20.355 -35.282 1   26.438 ? 104 HIS   A HD2  1 c 2 
ATOM   3188 H HE1  . HIS   B 1 92  ? -4.206  -21.788 -37.688 1   31.719 ? 104 HIS   A HE1  1 c 2 
ATOM   3189 H HE2  . HIS   B 1 92  ? -5.802  -22.327 -35.984 0   30     ? 104 HIS   A HE2  1 c 2 
ATOM   3190 N N    . LEU   B 1 93  ? -7.096  -15.735 -34.198 1   22.987 ? 105 LEU   A N    1 ? 2 
ATOM   3191 C CA   . LEU   B 1 93  ? -6.95   -14.332 -33.837 1   23.43  ? 105 LEU   A CA   1 ? 2 
ATOM   3192 C C    . LEU   B 1 93  ? -5.506  -14.088 -33.389 1   24.897 ? 105 LEU   A C    1 ? 2 
ATOM   3193 O O    . LEU   B 1 93  ? -4.941  -14.818 -32.528 1   25.414 ? 105 LEU   A O    1 ? 2 
ATOM   3194 C CB   . LEU   B 1 93  ? -7.85   -13.886 -32.684 1   23.241 ? 105 LEU   A CB   1 ? 2 
ATOM   3195 C CG   . LEU   B 1 93  ? -9.365  -14.001 -32.862 1   23.76  ? 105 LEU   A CG   1 ? 2 
ATOM   3196 C CD1  . LEU   B 1 93  ? -10.131 -13.616 -31.635 1   21.831 ? 105 LEU   A CD1  1 ? 2 
ATOM   3197 C CD2  . LEU   B 1 93  ? -9.844  -13.169 -34.081 1   22.724 ? 105 LEU   A CD2  1 ? 2 
ATOM   3198 H H    . LEU   B 1 93  ? -6.925  -16.374 -33.567 1   23.505 ? 105 LEU   A H    1 c 2 
ATOM   3199 H HA   . LEU   B 1 93  ? -7.139  -13.778 -34.632 1   24.262 ? 105 LEU   A HA   1 c 2 
ATOM   3200 H HB2  . LEU   B 1 93  ? -7.597  -14.405 -31.886 1   22.561 ? 105 LEU   A HB2  1 c 2 
ATOM   3201 H HB3  . LEU   B 1 93  ? -7.638  -12.945 -32.483 1   22.561 ? 105 LEU   A HB3  1 c 2 
ATOM   3202 H HG   . LEU   B 1 93  ? -9.573  -14.952 -33.054 1   23.791 ? 105 LEU   A HG   1 c 2 
ATOM   3203 H HD11 . LEU   B 1 93  ? -9.866  -14.187 -30.894 1   21.716 ? 105 LEU   A HD11 1 c 2 
ATOM   3204 H HD12 . LEU   B 1 93  ? -11.083 -13.721 -31.799 1   22.269 ? 105 LEU   A HD12 1 c 2 
ATOM   3205 H HD13 . LEU   B 1 93  ? -9.943  -12.689 -31.411 1   21.565 ? 105 LEU   A HD13 1 c 2 
ATOM   3206 H HD21 . LEU   B 1 93  ? -9.515  -13.574 -34.901 1   24.351 ? 105 LEU   A HD21 1 c 2 
ATOM   3207 H HD22 . LEU   B 1 93  ? -9.503  -12.262 -34.009 1   22.967 ? 105 LEU   A HD22 1 c 2 
ATOM   3208 H HD23 . LEU   B 1 93  ? -10.815 -13.149 -34.099 1   23.284 ? 105 LEU   A HD23 1 c 2 
ATOM   3209 N N    . LEU   B 1 94  ? -4.962  -12.959 -33.846 1   22.602 ? 106 LEU   A N    1 ? 2 
ATOM   3210 C CA   . LEU   B 1 94  ? -3.718  -12.432 -33.301 1   22.347 ? 106 LEU   A CA   1 ? 2 
ATOM   3211 C C    . LEU   B 1 94  ? -4      -11.064 -32.697 1   23.53  ? 106 LEU   A C    1 ? 2 
ATOM   3212 O O    . LEU   B 1 94  ? -4.629  -10.225 -33.37  1   23.621 ? 106 LEU   A O    1 ? 2 
ATOM   3213 C CB   . LEU   B 1 94  ? -2.685  -12.319 -34.418 1   25.271 ? 106 LEU   A CB   1 ? 2 
ATOM   3214 C CG   . LEU   B 1 94  ? -1.248  -11.961 -34.044 1   27.629 ? 106 LEU   A CG   1 ? 2 
ATOM   3215 C CD1  . LEU   B 1 94  ? -0.536  -13.02  -33.205 1   25.654 ? 106 LEU   A CD1  1 ? 2 
ATOM   3216 C CD2  . LEU   B 1 94  ? -0.469  -11.743 -35.293 1   31.7   ? 106 LEU   A CD2  1 ? 2 
ATOM   3217 H H    . LEU   B 1 94  ? -5.375  -12.501 -34.52  1   23.697 ? 106 LEU   A H    1 c 2 
ATOM   3218 H HA   . LEU   B 1 94  ? -3.383  -13.043 -32.598 1   22.51  ? 106 LEU   A HA   1 c 2 
ATOM   3219 H HB2  . LEU   B 1 94  ? -2.669  -13.178 -34.9   1   26.227 ? 106 LEU   A HB2  1 c 2 
ATOM   3220 H HB3  . LEU   B 1 94  ? -3.01   -11.647 -35.061 1   26.023 ? 106 LEU   A HB3  1 c 2 
ATOM   3221 H HG   . LEU   B 1 94  ? -1.261  -11.113 -33.531 1   26.712 ? 106 LEU   A HG   1 c 2 
ATOM   3222 H HD11 . LEU   B 1 94  ? -0.994  -13.123 -32.354 1   24.911 ? 106 LEU   A HD11 1 c 2 
ATOM   3223 H HD12 . LEU   B 1 94  ? 0.383   -12.745 -33.045 1   26.641 ? 106 LEU   A HD12 1 c 2 
ATOM   3224 H HD13 . LEU   B 1 94  ? -0.541  -13.868 -33.679 1   26.935 ? 106 LEU   A HD13 1 c 2 
ATOM   3225 H HD21 . LEU   B 1 94  ? -0.852  -11     -35.79  1   31.478 ? 106 LEU   A HD21 1 c 2 
ATOM   3226 H HD22 . LEU   B 1 94  ? -0.5    -12.547 -35.839 1   31.946 ? 106 LEU   A HD22 1 c 2 
ATOM   3227 H HD23 . LEU   B 1 94  ? 0.455   -11.54  -35.07  1   31.533 ? 106 LEU   A HD23 1 c 2 
ATOM   3228 N N    . ILE   B 1 95  ? -3.501  -10.859 -31.479 1   20.622 ? 107 ILE   A N    1 ? 2 
ATOM   3229 C CA   . ILE   B 1 95  ? -3.957  -9.793  -30.606 1   22.135 ? 107 ILE   A CA   1 ? 2 
ATOM   3230 C C    . ILE   B 1 95  ? -2.83   -8.978  -30.005 1   22.896 ? 107 ILE   A C    1 ? 2 
ATOM   3231 O O    . ILE   B 1 95  ? -1.939  -9.509  -29.335 1   22.527 ? 107 ILE   A O    1 ? 2 
ATOM   3232 C CB   . ILE   B 1 95  ? -4.815  -10.364 -29.471 1   19.331 ? 107 ILE   A CB   1 ? 2 
ATOM   3233 C CG1  . ILE   B 1 95  ? -5.982  -11.164 -30.002 1   19.592 ? 107 ILE   A CG1  1 ? 2 
ATOM   3234 C CG2  . ILE   B 1 95  ? -5.215  -9.201  -28.598 1   19.54  ? 107 ILE   A CG2  1 ? 2 
ATOM   3235 C CD1  . ILE   B 1 95  ? -6.618  -12.098 -29.009 1   20.885 ? 107 ILE   A CD1  1 ? 2 
ATOM   3236 H H    . ILE   B 1 95  ? -2.837  -11.41  -31.178 1   21.681 ? 107 ILE   A H    1 c 2 
ATOM   3237 H HA   . ILE   B 1 95  ? -4.519  -9.194  -31.132 1   21.691 ? 107 ILE   A HA   1 c 2 
ATOM   3238 H HB   . ILE   B 1 95  ? -4.254  -10.964 -28.941 1   19.701 ? 107 ILE   A HB   1 c 2 
ATOM   3239 H HG12 . ILE   B 1 95  ? -6.664  -10.541 -30.325 1   19.974 ? 107 ILE   A HG12 1 c 2 
ATOM   3240 H HG13 . ILE   B 1 95  ? -5.679  -11.692 -30.767 1   20.611 ? 107 ILE   A HG13 1 c 2 
ATOM   3241 H HG21 . ILE   B 1 95  ? -6.016  -9.431  -28.099 1   18.849 ? 107 ILE   A HG21 1 c 2 
ATOM   3242 H HG22 . ILE   B 1 95  ? -5.395  -8.42   -29.148 1   19.782 ? 107 ILE   A HG22 1 c 2 
ATOM   3243 H HG23 . ILE   B 1 95  ? -4.499  -8.999  -27.974 1   19.373 ? 107 ILE   A HG23 1 c 2 
ATOM   3244 H HD11 . ILE   B 1 95  ? -5.95   -12.733 -28.689 1   20.37  ? 107 ILE   A HD11 1 c 2 
ATOM   3245 H HD12 . ILE   B 1 95  ? -7.349  -12.585 -29.436 1   20.46  ? 107 ILE   A HD12 1 c 2 
ATOM   3246 H HD13 . ILE   B 1 95  ? -6.967  -11.589 -28.253 1   19.773 ? 107 ILE   A HD13 1 c 2 
ATOM   3247 N N    . LYS   B 1 96  ? -2.785  -7.66   -30.343 1   22.465 ? 108 LYS   A N    1 ? 2 
ATOM   3248 C CA   . LYS   B 1 96  ? -1.874  -6.733  -29.718 1   20.695 ? 108 LYS   A CA   1 ? 2 
ATOM   3249 C C    . LYS   B 1 96  ? -2.267  -6.488  -28.263 1   21.337 ? 108 LYS   A C    1 ? 2 
ATOM   3250 O O    . LYS   B 1 96  ? -3.421  -6.67   -27.828 1   20.857 ? 108 LYS   A O    1 ? 2 
ATOM   3251 C CB   . LYS   B 1 96  ? -1.835  -5.373  -30.463 1   21.311 ? 108 LYS   A CB   1 ? 2 
ATOM   3252 H H    . LYS   B 1 96  ? -3.35   -7.349  -30.991 1   22.462 ? 108 LYS   A H    1 c 2 
ATOM   3253 H HA   . LYS   B 1 96  ? -0.969  -7.131  -29.743 1   21.753 ? 108 LYS   A HA   1 c 2 
ATOM   3254 H HB2  . LYS   B 1 96  ? -0.908  -5.126  -30.614 0   30     ? 108 LYS   A HB2  1 c 2 
ATOM   3255 H HB3  . LYS   B 1 96  ? -2.767  -5.092  -30.633 0   30     ? 108 LYS   A HB3  1 c 2 
ATOM   3256 N N    . PRO   B 1 97  ? -1.271  -6.088  -27.42  1   21.866 ? 109 PRO   A N    1 ? 2 
ATOM   3257 C CA   . PRO   B 1 97  ? -1.475  -5.986  -26.011 1   22.234 ? 109 PRO   A CA   1 ? 2 
ATOM   3258 C C    . PRO   B 1 97  ? -2.585  -5.029  -25.588 1   21.059 ? 109 PRO   A C    1 ? 2 
ATOM   3259 O O    . PRO   B 1 97  ? -3.315  -5.283  -24.634 1   18.697 ? 109 PRO   A O    1 ? 2 
ATOM   3260 C CB   . PRO   B 1 97  ? -0.123  -5.579  -25.401 1   26.62  ? 109 PRO   A CB   1 ? 2 
ATOM   3261 C CG   . PRO   B 1 97  ? 0.809   -5.378  -26.573 1   26.728 ? 109 PRO   A CG   1 ? 2 
ATOM   3262 C CD   . PRO   B 1 97  ? 0.13    -5.834  -27.837 1   26.22  ? 109 PRO   A CD   1 ? 2 
ATOM   3263 H HA   . PRO   B 1 97  ? -1.697  -6.878  -25.671 1   21.684 ? 109 PRO   A HA   1 c 2 
ATOM   3264 H HB2  . PRO   B 1 97  ? -0.21   -4.755  -24.884 1   26.121 ? 109 PRO   A HB2  1 c 2 
ATOM   3265 H HB3  . PRO   B 1 97  ? 0.213   -6.28   -24.809 1   25.296 ? 109 PRO   A HB3  1 c 2 
ATOM   3266 H HG2  . PRO   B 1 97  ? 1.051   -4.434  -26.65  1   27.876 ? 109 PRO   A HG2  1 c 2 
ATOM   3267 H HG3  . PRO   B 1 97  ? 1.631   -5.889  -26.438 1   27.181 ? 109 PRO   A HG3  1 c 2 
ATOM   3268 H HD2  . PRO   B 1 97  ? 0.168   -5.141  -28.523 1   26.34  ? 109 PRO   A HD2  1 c 2 
ATOM   3269 H HD3  . PRO   B 1 97  ? 0.542   -6.651  -28.182 1   25.468 ? 109 PRO   A HD3  1 c 2 
ATOM   3270 N N    . GLU   B 1 98  ? -2.812  -3.998  -26.381 1   23.674 ? 110 GLU   A N    1 ? 2 
ATOM   3271 C CA   . GLU   B 1 98  ? -3.865  -3.036  -26.076 1   24.576 ? 110 GLU   A CA   1 ? 2 
ATOM   3272 C C    . GLU   B 1 98  ? -5.236  -3.698  -26.041 1   22.565 ? 110 GLU   A C    1 ? 2 
ATOM   3273 O O    . GLU   B 1 98  ? -6.083  -3.145  -25.37  1   21.262 ? 110 GLU   A O    1 ? 2 
ATOM   3274 C CB   . GLU   B 1 98  ? -3.878  -1.88   -27.082 1   29.281 ? 110 GLU   A CB   1 ? 2 
ATOM   3275 C CG   . GLU   B 1 98  ? -2.586  -1.066  -26.994 1   35.156 ? 110 GLU   A CG   1 ? 2 
ATOM   3276 C CD   . GLU   B 1 98  ? -1.291  -1.638  -27.615 1   36.58  ? 110 GLU   A CD   1 ? 2 
ATOM   3277 O OE1  . GLU   B 1 98  ? -1.227  -2.577  -28.442 1   28.341 ? 110 GLU   A OE1  1 ? 2 
ATOM   3278 O OE2  . GLU   B 1 98  ? -0.25   -1.041  -27.23  1   43.824 ? 110 GLU   A OE2  1 ? 2 
ATOM   3279 H H    . GLU   B 1 98  ? -2.313  -3.886  -27.138 1   24.093 ? 110 GLU   A H    1 c 2 
ATOM   3280 H HA   . GLU   B 1 98  ? -3.682  -2.659  -25.177 1   25.115 ? 110 GLU   A HA   1 c 2 
ATOM   3281 H HB2  . GLU   B 1 98  ? -3.983  -2.243  -27.987 1   29.275 ? 110 GLU   A HB2  1 c 2 
ATOM   3282 H HB3  . GLU   B 1 98  ? -4.648  -1.303  -26.897 1   29.653 ? 110 GLU   A HB3  1 c 2 
ATOM   3283 H HG2  . GLU   B 1 98  ? -2.75   -0.192  -27.408 1   35.567 ? 110 GLU   A HG2  1 c 2 
ATOM   3284 H HG3  . GLU   B 1 98  ? -2.405  -0.888  -26.047 1   34.322 ? 110 GLU   A HG3  1 c 2 
ATOM   3285 N N    . TYR   B 1 99  ? -5.447  -4.848  -26.747 1   21.439 ? 111 TYR   A N    1 ? 2 
ATOM   3286 C CA   . TYR   B 1 99  ? -6.73   -5.527  -26.758 1   20.292 ? 111 TYR   A CA   1 ? 2 
ATOM   3287 C C    . TYR   B 1 99  ? -6.68   -6.832  -25.931 1   19.485 ? 111 TYR   A C    1 ? 2 
ATOM   3288 O O    . TYR   B 1 99  ? -7.604  -7.63   -25.98  1   20.377 ? 111 TYR   A O    1 ? 2 
ATOM   3289 C CB   . TYR   B 1 99  ? -7.142  -5.841  -28.178 1   20.095 ? 111 TYR   A CB   1 ? 2 
ATOM   3290 C CG   . TYR   B 1 99  ? -7.459  -4.563  -28.97  1   20.873 ? 111 TYR   A CG   1 ? 2 
ATOM   3291 C CD1  . TYR   B 1 99  ? -6.466  -3.81   -29.54  1   20.498 ? 111 TYR   A CD1  1 ? 2 
ATOM   3292 C CD2  . TYR   B 1 99  ? -8.755  -4.095  -29.076 1   24.615 ? 111 TYR   A CD2  1 ? 2 
ATOM   3293 C CE1  . TYR   B 1 99  ? -6.739  -2.604  -30.169 1   21.784 ? 111 TYR   A CE1  1 ? 2 
ATOM   3294 C CE2  . TYR   B 1 99  ? -9.062  -2.941  -29.78  1   25.069 ? 111 TYR   A CE2  1 ? 2 
ATOM   3295 C CZ   . TYR   B 1 99  ? -8.045  -2.21   -30.373 1   24.01  ? 111 TYR   A CZ   1 ? 2 
ATOM   3296 O OH   . TYR   B 1 99  ? -8.318  -0.993  -30.958 1   26.039 ? 111 TYR   A OH   1 ? 2 
ATOM   3297 H H    . TYR   B 1 99  ? -4.765  -5.199  -27.243 1   21.592 ? 111 TYR   A H    1 c 2 
ATOM   3298 H HA   . TYR   B 1 99  ? -7.412  -4.926  -26.359 1   20.506 ? 111 TYR   A HA   1 c 2 
ATOM   3299 H HB2  . TYR   B 1 99  ? -6.412  -6.326  -28.622 1   20.215 ? 111 TYR   A HB2  1 c 2 
ATOM   3300 H HB3  . TYR   B 1 99  ? -7.939  -6.415  -28.161 1   19.649 ? 111 TYR   A HB3  1 c 2 
ATOM   3301 H HD1  . TYR   B 1 99  ? -5.567  -4.079  -29.436 1   20.905 ? 111 TYR   A HD1  1 c 2 
ATOM   3302 H HD2  . TYR   B 1 99  ? -9.459  -4.61   -28.714 1   22.805 ? 111 TYR   A HD2  1 c 2 
ATOM   3303 H HE1  . TYR   B 1 99  ? -6.038  -2.117  -30.569 1   23.345 ? 111 TYR   A HE1  1 c 2 
ATOM   3304 H HE2  . TYR   B 1 99  ? -9.954  -2.648  -29.845 1   24.846 ? 111 TYR   A HE2  1 c 2 
ATOM   3305 H HH   . TYR   B 1 99  ? -7.592  -0.615  -31.197 0   30     ? 111 TYR   A HH   1 c 2 
ATOM   3306 N N    . ALA   B 1 100 ? -5.641  -6.987  -25.122 1   20.27  ? 112 ALA   A N    1 ? 2 
ATOM   3307 C CA   . ALA   B 1 100 ? -5.45   -8.176  -24.286 1   19.099 ? 112 ALA   A CA   1 ? 2 
ATOM   3308 C C    . ALA   B 1 100 ? -5.14   -7.669  -22.873 1   19.138 ? 112 ALA   A C    1 ? 2 
ATOM   3309 O O    . ALA   B 1 100 ? -6.039  -7.178  -22.184 1   21.366 ? 112 ALA   A O    1 ? 2 
ATOM   3310 C CB   . ALA   B 1 100 ? -4.323  -9.043  -24.904 1   18.528 ? 112 ALA   A CB   1 ? 2 
ATOM   3311 H H    . ALA   B 1 100 ? -5.015  -6.324  -25.075 1   20.438 ? 112 ALA   A H    1 c 2 
ATOM   3312 H HA   . ALA   B 1 100 ? -6.299  -8.696  -24.261 1   18.697 ? 112 ALA   A HA   1 c 2 
ATOM   3313 H HB1  . ALA   B 1 100 ? -4.665  -9.518  -25.679 1   18.592 ? 112 ALA   A HB1  1 c 2 
ATOM   3314 H HB2  . ALA   B 1 100 ? -3.584  -8.473  -25.177 1   19.178 ? 112 ALA   A HB2  1 c 2 
ATOM   3315 H HB3  . ALA   B 1 100 ? -4.007  -9.687  -24.248 1   18.692 ? 112 ALA   A HB3  1 c 2 
ATOM   3316 N N    . TYR   B 1 101 ? -3.87   -7.71   -22.451 1   18.264 ? 113 TYR   A N    1 ? 2 
ATOM   3317 C CA   . TYR   B 1 101 ? -3.513  -7.392  -21.092 1   18.527 ? 113 TYR   A CA   1 ? 2 
ATOM   3318 C C    . TYR   B 1 101 ? -2.702  -6.086  -20.924 1   21.526 ? 113 TYR   A C    1 ? 2 
ATOM   3319 O O    . TYR   B 1 101 ? -2.319  -5.717  -19.813 1   20.65  ? 113 TYR   A O    1 ? 2 
ATOM   3320 C CB   . TYR   B 1 101 ? -2.828  -8.565  -20.393 1   20.026 ? 113 TYR   A CB   1 ? 2 
ATOM   3321 C CG   . TYR   B 1 101 ? -3.772  -9.759  -20.335 1   19.74  ? 113 TYR   A CG   1 ? 2 
ATOM   3322 C CD1  . TYR   B 1 101 ? -4.799  -9.758  -19.439 1   19.493 ? 113 TYR   A CD1  1 ? 2 
ATOM   3323 C CD2  . TYR   B 1 101 ? -3.754  -10.775 -21.321 1   20.056 ? 113 TYR   A CD2  1 ? 2 
ATOM   3324 C CE1  . TYR   B 1 101 ? -5.705  -10.805 -19.369 1   18.663 ? 113 TYR   A CE1  1 ? 2 
ATOM   3325 C CE2  . TYR   B 1 101 ? -4.67   -11.833 -21.254 1   19.39  ? 113 TYR   A CE2  1 ? 2 
ATOM   3326 C CZ   . TYR   B 1 101 ? -5.663  -11.836 -20.286 1   18.886 ? 113 TYR   A CZ   1 ? 2 
ATOM   3327 O OH   . TYR   B 1 101 ? -6.578  -12.865 -20.228 1   17.416 ? 113 TYR   A OH   1 ? 2 
ATOM   3328 H H    . TYR   B 1 101 ? -3.206  -7.939  -23.035 1   18.58  ? 113 TYR   A H    1 c 2 
ATOM   3329 H HA   . TYR   B 1 101 ? -4.366  -7.246  -20.608 1   19.254 ? 113 TYR   A HA   1 c 2 
ATOM   3330 H HB2  . TYR   B 1 101 ? -2.018  -8.811  -20.889 1   19.904 ? 113 TYR   A HB2  1 c 2 
ATOM   3331 H HB3  . TYR   B 1 101 ? -2.581  -8.298  -19.48  1   20.438 ? 113 TYR   A HB3  1 c 2 
ATOM   3332 H HD1  . TYR   B 1 101 ? -4.841  -9.072  -18.793 1   19.903 ? 113 TYR   A HD1  1 c 2 
ATOM   3333 H HD2  . TYR   B 1 101 ? -3.071  -10.787 -21.973 1   19.76  ? 113 TYR   A HD2  1 c 2 
ATOM   3334 H HE1  . TYR   B 1 101 ? -6.375  -10.799 -18.709 1   19.321 ? 113 TYR   A HE1  1 c 2 
ATOM   3335 H HE2  . TYR   B 1 101 ? -4.628  -12.532 -21.883 1   19.233 ? 113 TYR   A HE2  1 c 2 
ATOM   3336 H HH   . TYR   B 1 101 ? -7.111  -12.743 -19.567 0   30     ? 113 TYR   A HH   1 c 2 
ATOM   3337 N N    . GLY   B 1 102 ? -2.312  -5.451  -22.011 1   20.666 ? 114 GLY   A N    1 ? 2 
ATOM   3338 C CA   . GLY   B 1 102 ? -1.776  -4.102  -21.976 1   23.606 ? 114 GLY   A CA   1 ? 2 
ATOM   3339 C C    . GLY   B 1 102 ? -0.402  -4.047  -21.314 1   24.575 ? 114 GLY   A C    1 ? 2 
ATOM   3340 O O    . GLY   B 1 102 ? 0.332   -5.041  -21.208 1   22.737 ? 114 GLY   A O    1 ? 2 
ATOM   3341 H H    . GLY   B 1 102 ? -2.371  -5.873  -22.819 1   20.781 ? 114 GLY   A H    1 c 2 
ATOM   3342 H HA2  . GLY   B 1 102 ? -1.71   -3.759  -22.898 1   23.334 ? 114 GLY   A HA2  1 c 2 
ATOM   3343 H HA3  . GLY   B 1 102 ? -2.402  -3.521  -21.482 1   23.489 ? 114 GLY   A HA3  1 c 2 
ATOM   3344 N N    . SER   B 1 103 ? -0.044  -2.837  -20.885 1   25.283 ? 115 SER   A N    1 ? 2 
ATOM   3345 C CA   . SER   B 1 103 ? 1.295   -2.655  -20.344 1   27.354 ? 115 SER   A CA   1 ? 2 
ATOM   3346 C C    . SER   B 1 103 ? 1.393   -3.322  -18.983 1   26.876 ? 115 SER   A C    1 ? 2 
ATOM   3347 O O    . SER   B 1 103 ? 2.489   -3.725  -18.628 1   25.928 ? 115 SER   A O    1 ? 2 
ATOM   3348 C CB   . SER   B 1 103 ? 1.754   -1.183  -20.318 1   33.187 ? 115 SER   A CB   1 ? 2 
ATOM   3349 O OG   . SER   B 1 103 ? 0.8     -0.547  -19.513 1   35.999 ? 115 SER   A OG   1 ? 2 
ATOM   3350 H H    . SER   B 1 103 ? -0.621  -2.129  -20.926 1   25.969 ? 115 SER   A H    1 c 2 
ATOM   3351 H HA   . SER   B 1 103 ? 1.916   -3.139  -20.942 1   27.483 ? 115 SER   A HA   1 c 2 
ATOM   3352 H HB2  . SER   B 1 103 ? 2.643   -1.108  -19.923 1   33.821 ? 115 SER   A HB2  1 c 2 
ATOM   3353 H HB3  . SER   B 1 103 ? 1.75    -0.807  -21.219 1   32.926 ? 115 SER   A HB3  1 c 2 
ATOM   3354 H HG   . SER   B 1 103 ? 0.973   0.299   -19.472 0   30     ? 115 SER   A HG   1 c 2 
ATOM   3355 N N    . ALA   B 1 104 ? 0.278   -3.365  -18.232 1   26.025 ? 116 ALA   A N    1 ? 2 
ATOM   3356 C CA   . ALA   B 1 104 ? 0.287   -3.954  -16.886 1   27.405 ? 116 ALA   A CA   1 ? 2 
ATOM   3357 C C    . ALA   B 1 104 ? 0.569   -5.444  -16.916 1   24.859 ? 116 ALA   A C    1 ? 2 
ATOM   3358 O O    . ALA   B 1 104 ? 1.201   -5.981  -16.009 1   23.181 ? 116 ALA   A O    1 ? 2 
ATOM   3359 C CB   . ALA   B 1 104 ? -1.059  -3.734  -16.253 1   25.933 ? 116 ALA   A CB   1 ? 2 
ATOM   3360 H H    . ALA   B 1 104 ? -0.501  -3.016  -18.556 1   25.955 ? 116 ALA   A H    1 c 2 
ATOM   3361 H HA   . ALA   B 1 104 ? 0.992   -3.504  -16.343 1   28.015 ? 116 ALA   A HA   1 c 2 
ATOM   3362 H HB1  . ALA   B 1 104 ? -1.248  -2.782  -16.21  1   27.324 ? 116 ALA   A HB1  1 c 2 
ATOM   3363 H HB2  . ALA   B 1 104 ? -1.745  -4.175  -16.782 1   25.282 ? 116 ALA   A HB2  1 c 2 
ATOM   3364 H HB3  . ALA   B 1 104 ? -1.061  -4.103  -15.354 1   26.971 ? 116 ALA   A HB3  1 c 2 
ATOM   3365 N N    . GLY   B 1 105 ? 0.082   -6.073  -17.953 1   20.53  ? 117 GLY   A N    1 ? 2 
ATOM   3366 C CA   . GLY   B 1 105 ? 0.162   -7.515  -18.05  1   21.194 ? 117 GLY   A CA   1 ? 2 
ATOM   3367 C C    . GLY   B 1 105 ? -0.791  -8.159  -17.05  1   20.939 ? 117 GLY   A C    1 ? 2 
ATOM   3368 O O    . GLY   B 1 105 ? -1.762  -7.531  -16.548 1   20.025 ? 117 GLY   A O    1 ? 2 
ATOM   3369 H H    . GLY   B 1 105 ? -0.325  -5.606  -18.625 1   21.112 ? 117 GLY   A H    1 c 2 
ATOM   3370 H HA2  . GLY   B 1 105 ? -0.076  -7.794  -18.965 1   19.955 ? 117 GLY   A HA2  1 c 2 
ATOM   3371 H HA3  . GLY   B 1 105 ? 1.087   -7.806  -17.87  1   21.394 ? 117 GLY   A HA3  1 c 2 
ATOM   3372 N N    . SER   B 1 106 ? -0.483  -9.429  -16.756 1   20.477 ? 118 SER   A N    1 ? 2 
ATOM   3373 C CA   . SER   B 1 106 ? -1.249  -10.232 -15.796 1   20.077 ? 118 SER   A CA   1 ? 2 
ATOM   3374 C C    . SER   B 1 106 ? -0.28   -11.212 -15.145 1   21.281 ? 118 SER   A C    1 ? 2 
ATOM   3375 O O    . SER   B 1 106 ? -0.414  -12.437 -15.295 1   22.018 ? 118 SER   A O    1 ? 2 
ATOM   3376 C CB   . SER   B 1 106 ? -2.528  -10.873 -16.376 1   17.843 ? 118 SER   A CB   1 ? 2 
ATOM   3377 O OG   . SER   B 1 106 ? -3.297  -11.438 -15.289 1   22.02  ? 118 SER   A OG   1 ? 2 
ATOM   3378 H H    . SER   B 1 106 ? 0.232   -9.816  -17.174 1   20.395 ? 118 SER   A H    1 c 2 
ATOM   3379 H HA   . SER   B 1 106 ? -1.543  -9.613  -15.081 1   20.743 ? 118 SER   A HA   1 c 2 
ATOM   3380 H HB2  . SER   B 1 106 ? -3.056  -10.195 -16.838 1   18.223 ? 118 SER   A HB2  1 c 2 
ATOM   3381 H HB3  . SER   B 1 106 ? -2.288  -11.574 -17.011 1   18.351 ? 118 SER   A HB3  1 c 2 
ATOM   3382 H HG   . SER   B 1 106 ? -3.995  -11.779 -15.627 0   30     ? 118 SER   A HG   1 c 2 
ATOM   3383 N N    . LEU   B 1 107 ? 0.675   -10.652 -14.397 1   22.61  ? 119 LEU   A N    1 ? 2 
ATOM   3384 C CA   . LEU   B 1 107 ? 1.81    -11.427 -13.927 1   23.244 ? 119 LEU   A CA   1 ? 2 
ATOM   3385 C C    . LEU   B 1 107 ? 1.333   -12.294 -12.793 1   23.631 ? 119 LEU   A C    1 ? 2 
ATOM   3386 O O    . LEU   B 1 107 ? 0.56    -11.806 -11.936 1   23.771 ? 119 LEU   A O    1 ? 2 
ATOM   3387 C CB   . LEU   B 1 107 ? 2.985   -10.552 -13.535 1   26.948 ? 119 LEU   A CB   1 ? 2 
ATOM   3388 C CG   . LEU   B 1 107 ? 3.725   -9.935  -14.734 1   27.445 ? 119 LEU   A CG   1 ? 2 
ATOM   3389 C CD1  . LEU   B 1 107 ? 4.728   -8.917  -14.229 1   33.461 ? 119 LEU   A CD1  1 ? 2 
ATOM   3390 C CD2  . LEU   B 1 107 ? 4.497   -11.036 -15.417 1   29.11  ? 119 LEU   A CD2  1 ? 2 
ATOM   3391 H H    . LEU   B 1 107 ? 0.618   -9.767  -14.174 1   22.829 ? 119 LEU   A H    1 c 2 
ATOM   3392 H HA   . LEU   B 1 107 ? 2.089   -12.018 -14.668 1   23.025 ? 119 LEU   A HA   1 c 2 
ATOM   3393 H HB2  . LEU   B 1 107 ? 2.652   -9.823  -12.962 1   27.182 ? 119 LEU   A HB2  1 c 2 
ATOM   3394 H HB3  . LEU   B 1 107 ? 3.62    -11.093 -13.012 1   27.694 ? 119 LEU   A HB3  1 c 2 
ATOM   3395 H HG   . LEU   B 1 107 ? 3.077   -9.517  -15.358 1   27.173 ? 119 LEU   A HG   1 c 2 
ATOM   3396 H HD11 . LEU   B 1 107 ? 4.258   -8.185  -13.796 1   32.355 ? 119 LEU   A HD11 1 c 2 
ATOM   3397 H HD12 . LEU   B 1 107 ? 5.245   -8.57   -14.976 1   31.827 ? 119 LEU   A HD12 1 c 2 
ATOM   3398 H HD13 . LEU   B 1 107 ? 5.327   -9.339  -13.59  1   33.178 ? 119 LEU   A HD13 1 c 2 
ATOM   3399 H HD21 . LEU   B 1 107 ? 3.885   -11.604 -15.914 1   27.468 ? 119 LEU   A HD21 1 c 2 
ATOM   3400 H HD22 . LEU   B 1 107 ? 4.965   -11.569 -14.752 1   29.559 ? 119 LEU   A HD22 1 c 2 
ATOM   3401 H HD23 . LEU   B 1 107 ? 5.144   -10.648 -16.03  1   28.592 ? 119 LEU   A HD23 1 c 2 
ATOM   3402 N N    . PRO   B 1 108 ? 1.891   -13.508 -12.589 1   24.949 ? 120 PRO   A N    1 ? 2 
ATOM   3403 C CA   . PRO   B 1 108 ? 3.035   -14.005 -13.32  1   25.683 ? 120 PRO   A CA   1 ? 2 
ATOM   3404 C C    . PRO   B 1 108 ? 2.675   -14.721 -14.619 1   25.19  ? 120 PRO   A C    1 ? 2 
ATOM   3405 O O    . PRO   B 1 108 ? 3.575   -15.038 -15.397 1   24.778 ? 120 PRO   A O    1 ? 2 
ATOM   3406 C CB   . PRO   B 1 108 ? 3.735   -14.932 -12.352 1   28.481 ? 120 PRO   A CB   1 ? 2 
ATOM   3407 C CG   . PRO   B 1 108 ? 2.562   -15.441 -11.52  1   29.512 ? 120 PRO   A CG   1 ? 2 
ATOM   3408 C CD   . PRO   B 1 108 ? 1.649   -14.285 -11.365 1   27.942 ? 120 PRO   A CD   1 ? 2 
ATOM   3409 H HA   . PRO   B 1 108 ? 3.636   -13.261 -13.524 1   25.816 ? 120 PRO   A HA   1 c 2 
ATOM   3410 H HB2  . PRO   B 1 108 ? 4.183   -15.664 -12.82  1   28.479 ? 120 PRO   A HB2  1 c 2 
ATOM   3411 H HB3  . PRO   B 1 108 ? 4.378   -14.448 -11.8   1   29.47  ? 120 PRO   A HB3  1 c 2 
ATOM   3412 H HG2  . PRO   B 1 108 ? 2.107   -16.177 -11.976 1   28.708 ? 120 PRO   A HG2  1 c 2 
ATOM   3413 H HG3  . PRO   B 1 108 ? 2.868   -15.755 -10.646 1   30.929 ? 120 PRO   A HG3  1 c 2 
ATOM   3414 H HD2  . PRO   B 1 108 ? 0.718   -14.571 -11.313 1   27.612 ? 120 PRO   A HD2  1 c 2 
ATOM   3415 H HD3  . PRO   B 1 108 ? 1.871   -13.76  -10.572 1   29.013 ? 120 PRO   A HD3  1 c 2 
ATOM   3416 N N    . LYS   B 1 109 ? 1.381   -14.888 -14.911 1   25.35  ? 121 LYS   A N    1 ? 2 
ATOM   3417 C CA   . LYS   B 1 109 ? 0.966   -15.652 -16.077 1   24.948 ? 121 LYS   A CA   1 ? 2 
ATOM   3418 C C    . LYS   B 1 109 ? 1.297   -14.937 -17.398 1   24.156 ? 121 LYS   A C    1 ? 2 
ATOM   3419 O O    . LYS   B 1 109 ? 1.849   -15.54  -18.34  1   24.006 ? 121 LYS   A O    1 ? 2 
ATOM   3420 C CB   . LYS   B 1 109 ? -0.515  -15.94  -15.916 1   25.615 ? 121 LYS   A CB   1 ? 2 
ATOM   3421 C CG   . LYS   B 1 109 ? -1.091  -16.785 -17.07  1   26.876 ? 121 LYS   A CG   1 ? 2 
ATOM   3422 C CD   . LYS   B 1 109 ? -2.562  -17.176 -16.904 1   28.235 ? 121 LYS   A CD   1 ? 2 
ATOM   3423 C CE   . LYS   B 1 109 ? -2.953  -17.842 -15.641 1   33.987 ? 121 LYS   A CE   1 ? 2 
ATOM   3424 N NZ   . LYS   B 1 109 ? -2.365  -19.186 -15.513 1   36.218 ? 121 LYS   A NZ   1 ? 2 
ATOM   3425 H H    . LYS   B 1 109 ? 0.741   -14.519 -14.374 1   25.227 ? 121 LYS   A H    1 c 2 
ATOM   3426 H HA   . LYS   B 1 109 ? 1.45    -16.517 -16.064 1   25.885 ? 121 LYS   A HA   1 c 2 
ATOM   3427 H HB2  . LYS   B 1 109 ? -0.655  -16.418 -15.072 1   26.956 ? 121 LYS   A HB2  1 c 2 
ATOM   3428 H HB3  . LYS   B 1 109 ? -1.005  -15.092 -15.871 1   25.152 ? 121 LYS   A HB3  1 c 2 
ATOM   3429 H HG2  . LYS   B 1 109 ? -0.992  -16.28  -17.905 1   25.75  ? 121 LYS   A HG2  1 c 2 
ATOM   3430 H HG3  . LYS   B 1 109 ? -0.553  -17.602 -17.153 1   27.47  ? 121 LYS   A HG3  1 c 2 
ATOM   3431 H HD2  . LYS   B 1 109 ? -3.102  -16.362 -17.003 1   27.954 ? 121 LYS   A HD2  1 c 2 
ATOM   3432 H HD3  . LYS   B 1 109 ? -2.802  -17.766 -17.651 1   28.546 ? 121 LYS   A HD3  1 c 2 
ATOM   3433 H HE2  . LYS   B 1 109 ? -2.679  -17.301 -14.88  1   33.478 ? 121 LYS   A HE2  1 c 2 
ATOM   3434 H HE3  . LYS   B 1 109 ? -3.923  -17.923 -15.613 1   32.933 ? 121 LYS   A HE3  1 c 2 
ATOM   3435 H HZ1  . LYS   B 1 109 ? -1.465  -19.121 -15.436 1   36.24  ? 121 LYS   A HZ1  1 c 2 
ATOM   3436 H HZ2  . LYS   B 1 109 ? -2.567  -19.681 -16.244 1   35.635 ? 121 LYS   A HZ2  1 c 2 
ATOM   3437 H HZ3  . LYS   B 1 109 ? -2.697  -19.595 -14.776 1   37.136 ? 121 LYS   A HZ3  1 c 2 
ATOM   3438 N N    . ILE   B 1 110 ? 0.974   -13.649 -17.515 1   20.636 ? 122 ILE   A N    1 ? 2 
ATOM   3439 C CA   . ILE   B 1 110 ? 1.087   -12.915 -18.75  1   20.4   ? 122 ILE   A CA   1 ? 2 
ATOM   3440 C C    . ILE   B 1 110 ? 1.997   -11.696 -18.535 1   21.367 ? 122 ILE   A C    1 ? 2 
ATOM   3441 O O    . ILE   B 1 110 ? 1.765   -10.861 -17.671 1   20.922 ? 122 ILE   A O    1 ? 2 
ATOM   3442 C CB   . ILE   B 1 110 ? -0.275  -12.407 -19.248 1   22.065 ? 122 ILE   A CB   1 ? 2 
ATOM   3443 C CG1  . ILE   B 1 110 ? -1.422  -13.397 -19.226 1   25.51  ? 122 ILE   A CG1  1 ? 2 
ATOM   3444 C CG2  . ILE   B 1 110 ? -0.159  -11.682 -20.574 1   21.181 ? 122 ILE   A CG2  1 ? 2 
ATOM   3445 C CD1  . ILE   B 1 110 ? -1.249  -14.564 -20.122 1   26.06  ? 122 ILE   A CD1  1 ? 2 
ATOM   3446 H H    . ILE   B 1 110 ? 0.664   -13.209 -16.778 1   21.703 ? 122 ILE   A H    1 c 2 
ATOM   3447 H HA   . ILE   B 1 110 ? 1.475   -13.493 -19.431 1   20.879 ? 122 ILE   A HA   1 c 2 
ATOM   3448 H HB   . ILE   B 1 110 ? -0.534  -11.717 -18.605 1   22.168 ? 122 ILE   A HB   1 c 2 
ATOM   3449 H HG12 . ILE   B 1 110 ? -1.537  -13.722 -18.309 1   25.272 ? 122 ILE   A HG12 1 c 2 
ATOM   3450 H HG13 . ILE   B 1 110 ? -2.244  -12.929 -19.479 1   24.025 ? 122 ILE   A HG13 1 c 2 
ATOM   3451 H HG21 . ILE   B 1 110 ? -1.026  -11.667 -21.015 1   20.623 ? 122 ILE   A HG21 1 c 2 
ATOM   3452 H HG22 . ILE   B 1 110 ? 0.482   -12.142 -21.142 1   21.455 ? 122 ILE   A HG22 1 c 2 
ATOM   3453 H HG23 . ILE   B 1 110 ? 0.14    -10.77  -20.423 1   21.475 ? 122 ILE   A HG23 1 c 2 
ATOM   3454 H HD11 . ILE   B 1 110 ? -1.172  -14.264 -21.047 1   25.371 ? 122 ILE   A HD11 1 c 2 
ATOM   3455 H HD12 . ILE   B 1 110 ? -2.026  -15.147 -20.034 1   25.809 ? 122 ILE   A HD12 1 c 2 
ATOM   3456 H HD13 . ILE   B 1 110 ? -0.444  -15.056 -19.873 1   26.565 ? 122 ILE   A HD13 1 c 2 
ATOM   3457 N N    . PRO   B 1 111 ? 3.078   -11.529 -19.314 1   22.541 ? 123 PRO   A N    1 ? 2 
ATOM   3458 C CA   . PRO   B 1 111 ? 3.997   -10.412 -19.128 1   23.743 ? 123 PRO   A CA   1 ? 2 
ATOM   3459 C C    . PRO   B 1 111 ? 3.379   -9.141  -19.679 1   21.785 ? 123 PRO   A C    1 ? 2 
ATOM   3460 O O    . PRO   B 1 111 ? 2.396   -9.158  -20.378 1   23.596 ? 123 PRO   A O    1 ? 2 
ATOM   3461 C CB   . PRO   B 1 111 ? 5.283   -10.904 -19.8   1   26.73  ? 123 PRO   A CB   1 ? 2 
ATOM   3462 C CG   . PRO   B 1 111 ? 4.734   -11.721 -20.89  1   26.705 ? 123 PRO   A CG   1 ? 2 
ATOM   3463 C CD   . PRO   B 1 111 ? 3.522   -12.442 -20.363 1   24.694 ? 123 PRO   A CD   1 ? 2 
ATOM   3464 H HA   . PRO   B 1 111 ? 4.169   -10.295 -18.171 1   24.498 ? 123 PRO   A HA   1 c 2 
ATOM   3465 H HB2  . PRO   B 1 111 ? 5.812   -10.159 -20.145 1   26.951 ? 123 PRO   A HB2  1 c 2 
ATOM   3466 H HB3  . PRO   B 1 111 ? 5.821   -11.442 -19.187 1   27.236 ? 123 PRO   A HB3  1 c 2 
ATOM   3467 H HG2  . PRO   B 1 111 ? 4.484   -11.154 -21.646 1   25.792 ? 123 PRO   A HG2  1 c 2 
ATOM   3468 H HG3  . PRO   B 1 111 ? 5.4     -12.367 -21.198 1   26.85  ? 123 PRO   A HG3  1 c 2 
ATOM   3469 H HD2  . PRO   B 1 111 ? 2.837   -12.546 -21.052 1   23.56  ? 123 PRO   A HD2  1 c 2 
ATOM   3470 H HD3  . PRO   B 1 111 ? 3.754   -13.316 -19.994 1   24.86  ? 123 PRO   A HD3  1 c 2 
ATOM   3471 N N    . SER   B 1 112 ? 4.035   -8.05   -19.35  1   24.49  ? 124 SER   A N    1 ? 2 
ATOM   3472 C CA   . SER   B 1 112 ? 3.721   -6.747  -19.868 1   25.413 ? 124 SER   A CA   1 ? 2 
ATOM   3473 C C    . SER   B 1 112 ? 3.901   -6.768  -21.394 1   24.037 ? 124 SER   A C    1 ? 2 
ATOM   3474 O O    . SER   B 1 112 ? 4.824   -7.373  -21.924 1   23.638 ? 124 SER   A O    1 ? 2 
ATOM   3475 C CB   . SER   B 1 112 ? 4.675   -5.795  -19.131 1   32.549 ? 124 SER   A CB   1 ? 2 
ATOM   3476 O OG   . SER   B 1 112 ? 4.8     -4.604  -19.844 1   40.266 ? 124 SER   A OG   1 ? 2 
ATOM   3477 H H    . SER   B 1 112 ? 4.727   -8.126  -18.757 1   25.297 ? 124 SER   A H    1 c 2 
ATOM   3478 H HA   . SER   B 1 112 ? 2.783   -6.522  -19.643 1   25.225 ? 124 SER   A HA   1 c 2 
ATOM   3479 H HB2  . SER   B 1 112 ? 4.328   -5.61   -18.238 1   32.821 ? 124 SER   A HB2  1 c 2 
ATOM   3480 H HB3  . SER   B 1 112 ? 5.553   -6.212  -19.042 1   33.197 ? 124 SER   A HB3  1 c 2 
ATOM   3481 H HG   . SER   B 1 112 ? 5.195   -3.993  -19.473 0   30     ? 124 SER   A HG   1 c 2 
ATOM   3482 N N    . ASN   B 1 113 ? 2.973   -6.107  -22.079 1   21.932 ? 125 ASN   A N    1 ? 2 
ATOM   3483 C CA   . ASN   B 1 113 ? 3.054   -5.831  -23.499 1   23.426 ? 125 ASN   A CA   1 ? 2 
ATOM   3484 C C    . ASN   B 1 113 ? 3.065   -7.123  -24.313 1   23.02  ? 125 ASN   A C    1 ? 2 
ATOM   3485 O O    . ASN   B 1 113 ? 3.706   -7.164  -25.354 1   24.432 ? 125 ASN   A O    1 ? 2 
ATOM   3486 C CB   . ASN   B 1 113 ? 4.175   -4.865  -23.764 1   25.62  ? 125 ASN   A CB   1 ? 2 
ATOM   3487 C CG   . ASN   B 1 113 ? 4.002   -3.551  -23.055 1   27.749 ? 125 ASN   A CG   1 ? 2 
ATOM   3488 O OD1  . ASN   B 1 113 ? 4.961   -3.079  -22.421 1   31.098 ? 125 ASN   A OD1  1 ? 2 
ATOM   3489 N ND2  . ASN   B 1 113 ? 2.86    -2.948  -23.263 1   26.13  ? 125 ASN   A ND2  1 ? 2 
ATOM   3490 H H    . ASN   B 1 113 ? 2.236   -5.808  -21.629 1   22.237 ? 125 ASN   A H    1 c 2 
ATOM   3491 H HA   . ASN   B 1 113 ? 2.224   -5.365  -23.743 1   22.883 ? 125 ASN   A HA   1 c 2 
ATOM   3492 H HB2  . ASN   B 1 113 ? 5.02    -5.27   -23.483 1   26.38  ? 125 ASN   A HB2  1 c 2 
ATOM   3493 H HB3  . ASN   B 1 113 ? 4.229   -4.699  -24.726 1   26.111 ? 125 ASN   A HB3  1 c 2 
ATOM   3494 H HD21 . ASN   B 1 113 ? 2.668   -2.211  -22.811 1   27.153 ? 125 ASN   A HD21 1 c 2 
ATOM   3495 H HD22 . ASN   B 1 113 ? 2.288   -3.252  -23.868 1   25.623 ? 125 ASN   A HD22 1 c 2 
ATOM   3496 N N    . ALA   B 1 114 ? 2.273   -8.126  -23.869 1   21.148 ? 126 ALA   A N    1 ? 2 
ATOM   3497 C CA   . ALA   B 1 114 ? 2.226   -9.418  -24.537 1   21.683 ? 126 ALA   A CA   1 ? 2 
ATOM   3498 C C    . ALA   B 1 114 ? 1.259   -9.414  -25.739 1   20.08  ? 126 ALA   A C    1 ? 2 
ATOM   3499 O O    . ALA   B 1 114 ? 0.137   -8.949  -25.653 1   20.262 ? 126 ALA   A O    1 ? 2 
ATOM   3500 C CB   . ALA   B 1 114 ? 1.897   -10.499 -23.596 1   21.897 ? 126 ALA   A CB   1 ? 2 
ATOM   3501 H H    . ALA   B 1 114 ? 1.745   -7.991  -23.135 1   21.121 ? 126 ALA   A H    1 c 2 
ATOM   3502 H HA   . ALA   B 1 114 ? 3.14    -9.595  -24.894 1   22.267 ? 126 ALA   A HA   1 c 2 
ATOM   3503 H HB1  . ALA   B 1 114 ? 2.546   -10.512 -22.873 1   22.248 ? 126 ALA   A HB1  1 c 2 
ATOM   3504 H HB2  . ALA   B 1 114 ? 1.009   -10.354 -23.228 1   21.01  ? 126 ALA   A HB2  1 c 2 
ATOM   3505 H HB3  . ALA   B 1 114 ? 1.916   -11.353 -24.06  1   21.649 ? 126 ALA   A HB3  1 c 2 
ATOM   3506 N N    . THR   B 1 115 ? 1.755   -10.041 -26.845 1   20.264 ? 127 THR   A N    1 ? 2 
ATOM   3507 C CA   . THR   B 1 115 ? 0.926   -10.362 -27.993 1   20.966 ? 127 THR   A CA   1 ? 2 
ATOM   3508 C C    . THR   B 1 115 ? 0.421   -11.81  -27.823 1   20.438 ? 127 THR   A C    1 ? 2 
ATOM   3509 O O    . THR   B 1 115 ? 1.191   -12.686 -27.454 1   20.988 ? 127 THR   A O    1 ? 2 
ATOM   3510 C CB   . THR   B 1 115 ? 1.72    -10.255 -29.282 1   22.724 ? 127 THR   A CB   1 ? 2 
ATOM   3511 O OG1  . THR   B 1 115 ? 2.032   -8.865  -29.379 1   22.759 ? 127 THR   A OG1  1 ? 2 
ATOM   3512 C CG2  . THR   B 1 115 ? 0.896   -10.652 -30.496 1   24.452 ? 127 THR   A CG2  1 ? 2 
ATOM   3513 H H    . THR   B 1 115 ? 2.64    -10.269 -26.87  1   21.361 ? 127 THR   A H    1 c 2 
ATOM   3514 H HA   . THR   B 1 115 ? 0.166   -9.745  -28.027 1   20.369 ? 127 THR   A HA   1 c 2 
ATOM   3515 H HB   . THR   B 1 115 ? 2.551   -10.786 -29.231 1   23.543 ? 127 THR   A HB   1 c 2 
ATOM   3516 H HG1  . THR   B 1 115 ? 1.289   -8.4    -29.417 0   30     ? 127 THR   A HG1  1 c 2 
ATOM   3517 H HG21 . THR   B 1 115 ? 1.415   -10.498 -31.303 1   25.146 ? 127 THR   A HG21 1 c 2 
ATOM   3518 H HG22 . THR   B 1 115 ? 0.087   -10.118 -30.529 1   23.403 ? 127 THR   A HG22 1 c 2 
ATOM   3519 H HG23 . THR   B 1 115 ? 0.661   -11.593 -30.44  1   23.698 ? 127 THR   A HG23 1 c 2 
ATOM   3520 N N    . LEU   B 1 116 ? -0.881  -11.986 -28.029 1   20.025 ? 128 LEU   A N    1 ? 2 
ATOM   3521 C CA   . LEU   B 1 116 ? -1.531  -13.284 -27.858 1   20.78  ? 128 LEU   A CA   1 ? 2 
ATOM   3522 C C    . LEU   B 1 116 ? -2.043  -13.815 -29.181 1   21.041 ? 128 LEU   A C    1 ? 2 
ATOM   3523 O O    . LEU   B 1 116 ? -2.443  -13.053 -30.081 1   21.597 ? 128 LEU   A O    1 ? 2 
ATOM   3524 C CB   . LEU   B 1 116 ? -2.676  -13.139 -26.875 1   21.2   ? 128 LEU   A CB   1 ? 2 
ATOM   3525 C CG   . LEU   B 1 116 ? -2.308  -13.274 -25.398 1   25.703 ? 128 LEU   A CG   1 ? 2 
ATOM   3526 C CD1  . LEU   B 1 116 ? -1.415  -12.282 -24.888 1   24.106 ? 128 LEU   A CD1  1 ? 2 
ATOM   3527 C CD2  . LEU   B 1 116 ? -3.625  -13.375 -24.552 1   26.856 ? 128 LEU   A CD2  1 ? 2 
ATOM   3528 H H    . LEU   B 1 116 ? -1.391  -11.274 -28.29  1   19.928 ? 128 LEU   A H    1 c 2 
ATOM   3529 H HA   . LEU   B 1 116 ? -0.868  -13.923 -27.492 1   21.178 ? 128 LEU   A HA   1 c 2 
ATOM   3530 H HB2  . LEU   B 1 116 ? -3.091  -12.257 -27.013 1   21.418 ? 128 LEU   A HB2  1 c 2 
ATOM   3531 H HB3  . LEU   B 1 116 ? -3.354  -13.822 -27.089 1   21.783 ? 128 LEU   A HB3  1 c 2 
ATOM   3532 H HG   . LEU   B 1 116 ? -1.843  -14.144 -25.295 1   25.177 ? 128 LEU   A HG   1 c 2 
ATOM   3533 H HD11 . LEU   B 1 116 ? -0.513  -12.467 -25.198 1   25.214 ? 128 LEU   A HD11 1 c 2 
ATOM   3534 H HD12 . LEU   B 1 116 ? -1.431  -12.297 -23.917 1   24.617 ? 128 LEU   A HD12 1 c 2 
ATOM   3535 H HD13 . LEU   B 1 116 ? -1.69   -11.404 -25.203 1   24.445 ? 128 LEU   A HD13 1 c 2 
ATOM   3536 H HD21 . LEU   B 1 116 ? -4.179  -14.095 -24.897 1   26.281 ? 128 LEU   A HD21 1 c 2 
ATOM   3537 H HD22 . LEU   B 1 116 ? -4.113  -12.536 -24.609 1   25.914 ? 128 LEU   A HD22 1 c 2 
ATOM   3538 H HD23 . LEU   B 1 116 ? -3.402  -13.557 -23.624 1   26.4   ? 128 LEU   A HD23 1 c 2 
ATOM   3539 N N    . PHE   B 1 117 ? -2.097  -15.153 -29.236 1   21.311 ? 129 PHE   A N    1 ? 2 
ATOM   3540 C CA   . PHE   B 1 117 ? -2.626  -15.878 -30.383 1   22.177 ? 129 PHE   A CA   1 ? 2 
ATOM   3541 C C    . PHE   B 1 117 ? -3.707  -16.858 -29.906 1   23.061 ? 129 PHE   A C    1 ? 2 
ATOM   3542 O O    . PHE   B 1 117 ? -3.479  -17.576 -28.934 1   24.806 ? 129 PHE   A O    1 ? 2 
ATOM   3543 C CB   . PHE   B 1 117 ? -1.51   -16.594 -31.121 1   22.826 ? 129 PHE   A CB   1 ? 2 
ATOM   3544 C CG   . PHE   B 1 117 ? -2.062  -17.428 -32.271 1   24.589 ? 129 PHE   A CG   1 ? 2 
ATOM   3545 C CD1  . PHE   B 1 117 ? -2.226  -16.834 -33.519 1   27.317 ? 129 PHE   A CD1  1 ? 2 
ATOM   3546 C CD2  . PHE   B 1 117 ? -2.415  -18.769 -32.081 1   27.25  ? 129 PHE   A CD2  1 ? 2 
ATOM   3547 C CE1  . PHE   B 1 117 ? -2.729  -17.586 -34.577 1   29.102 ? 129 PHE   A CE1  1 ? 2 
ATOM   3548 C CE2  . PHE   B 1 117 ? -3.032  -19.455 -33.121 1   29.156 ? 129 PHE   A CE2  1 ? 2 
ATOM   3549 C CZ   . PHE   B 1 117 ? -3.128  -18.883 -34.362 1   29.687 ? 129 PHE   A CZ   1 ? 2 
ATOM   3550 H H    . PHE   B 1 117 ? -1.792  -15.637 -28.523 1   21.388 ? 129 PHE   A H    1 c 2 
ATOM   3551 H HA   . PHE   B 1 117 ? -3.043  -15.226 -31.003 1   22.124 ? 129 PHE   A HA   1 c 2 
ATOM   3552 H HB2  . PHE   B 1 117 ? -0.881  -15.926 -31.474 1   23.456 ? 129 PHE   A HB2  1 c 2 
ATOM   3553 H HB3  . PHE   B 1 117 ? -1.034  -17.179 -30.491 1   23.333 ? 129 PHE   A HB3  1 c 2 
ATOM   3554 H HD1  . PHE   B 1 117 ? -1.95   -15.942 -33.658 1   26.664 ? 129 PHE   A HD1  1 c 2 
ATOM   3555 H HD2  . PHE   B 1 117 ? -2.37   -19.152 -31.219 1   26.507 ? 129 PHE   A HD2  1 c 2 
ATOM   3556 H HE1  . PHE   B 1 117 ? -2.845  -17.189 -35.426 1   29.754 ? 129 PHE   A HE1  1 c 2 
ATOM   3557 H HE2  . PHE   B 1 117 ? -3.258  -20.363 -33.009 1   29.69  ? 129 PHE   A HE2  1 c 2 
ATOM   3558 H HZ   . PHE   B 1 117 ? -3.485  -19.384 -35.078 1   30.938 ? 129 PHE   A HZ   1 c 2 
ATOM   3559 N N    . PHE   B 1 118 ? -4.862  -16.929 -30.562 1   22.854 ? 130 PHE   A N    1 ? 2 
ATOM   3560 C CA   . PHE   B 1 118 ? -5.829  -17.969 -30.239 1   22.894 ? 130 PHE   A CA   1 ? 2 
ATOM   3561 C C    . PHE   B 1 118 ? -6.372  -18.687 -31.49  1   25.166 ? 130 PHE   A C    1 ? 2 
ATOM   3562 O O    . PHE   B 1 118 ? -6.557  -18.044 -32.517 1   23.268 ? 130 PHE   A O    1 ? 2 
ATOM   3563 C CB   . PHE   B 1 118 ? -7.064  -17.424 -29.552 1   20.787 ? 130 PHE   A CB   1 ? 2 
ATOM   3564 C CG   . PHE   B 1 118 ? -6.831  -16.828 -28.166 1   18.755 ? 130 PHE   A CG   1 ? 2 
ATOM   3565 C CD1  . PHE   B 1 118 ? -6.383  -15.519 -28.017 1   19.111 ? 130 PHE   A CD1  1 ? 2 
ATOM   3566 C CD2  . PHE   B 1 118 ? -7.072  -17.593 -27.033 1   18.937 ? 130 PHE   A CD2  1 ? 2 
ATOM   3567 C CE1  . PHE   B 1 118 ? -6.205  -14.969 -26.749 1   17.161 ? 130 PHE   A CE1  1 ? 2 
ATOM   3568 C CE2  . PHE   B 1 118 ? -6.892  -17.045 -25.766 1   18.86  ? 130 PHE   A CE2  1 ? 2 
ATOM   3569 C CZ   . PHE   B 1 118 ? -6.458  -15.736 -25.628 1   18.299 ? 130 PHE   A CZ   1 ? 2 
ATOM   3570 H H    . PHE   B 1 118 ? -5.055  -16.325 -31.22  1   22.876 ? 130 PHE   A H    1 c 2 
ATOM   3571 H HA   . PHE   B 1 118 ? -5.4    -18.637 -29.646 1   23.269 ? 130 PHE   A HA   1 c 2 
ATOM   3572 H HB2  . PHE   B 1 118 ? -7.458  -16.732 -30.129 1   20.56  ? 130 PHE   A HB2  1 c 2 
ATOM   3573 H HB3  . PHE   B 1 118 ? -7.721  -18.151 -29.473 1   21.296 ? 130 PHE   A HB3  1 c 2 
ATOM   3574 H HD1  . PHE   B 1 118 ? -6.225  -14.992 -28.784 1   18.627 ? 130 PHE   A HD1  1 c 2 
ATOM   3575 H HD2  . PHE   B 1 118 ? -7.383  -18.48  -27.123 1   19.881 ? 130 PHE   A HD2  1 c 2 
ATOM   3576 H HE1  . PHE   B 1 118 ? -5.901  -14.08  -26.657 1   17.297 ? 130 PHE   A HE1  1 c 2 
ATOM   3577 H HE2  . PHE   B 1 118 ? -7.059  -17.569 -24.999 1   19.143 ? 130 PHE   A HE2  1 c 2 
ATOM   3578 H HZ   . PHE   B 1 118 ? -6.319  -15.373 -24.767 1   17.758 ? 130 PHE   A HZ   1 c 2 
ATOM   3579 N N    . GLU   B 1 119 ? -6.706  -19.962 -31.335 1   26.062 ? 131 GLU   A N    1 ? 2 
ATOM   3580 C CA   . GLU   B 1 119 ? -7.587  -20.653 -32.249 1   28.713 ? 131 GLU   A CA   1 ? 2 
ATOM   3581 C C    . GLU   B 1 119 ? -8.892  -20.884 -31.501 1   30.349 ? 131 GLU   A C    1 ? 2 
ATOM   3582 O O    . GLU   B 1 119 ? -8.849  -21.473 -30.404 1   30.495 ? 131 GLU   A O    1 ? 2 
ATOM   3583 C CB   . GLU   B 1 119 ? -6.935  -21.948 -32.752 1   28.113 ? 131 GLU   A CB   1 ? 2 
ATOM   3584 C CG   . GLU   B 1 119 ? -7.759  -22.798 -33.699 1   30.289 ? 131 GLU   A CG   1 ? 2 
ATOM   3585 C CD   . GLU   B 1 119 ? -6.946  -23.967 -34.207 1   31.171 ? 131 GLU   A CD   1 ? 2 
ATOM   3586 O OE1  . GLU   B 1 119 ? -6.005  -23.937 -35.079 1   33.699 ? 131 GLU   A OE1  1 ? 2 
ATOM   3587 O OE2  . GLU   B 1 119 ? -7.223  -25.07  -33.638 1   35.152 ? 131 GLU   A OE2  1 ? 2 
ATOM   3588 H H    . GLU   B 1 119 ? -6.365  -20.426 -30.624 1   26.424 ? 131 GLU   A H    1 c 2 
ATOM   3589 H HA   . GLU   B 1 119 ? -7.762  -20.065 -33.025 1   28.198 ? 131 GLU   A HA   1 c 2 
ATOM   3590 H HB2  . GLU   B 1 119 ? -6.097  -21.716 -33.206 1   29.025 ? 131 GLU   A HB2  1 c 2 
ATOM   3591 H HB3  . GLU   B 1 119 ? -6.704  -22.5   -31.976 1   28.82  ? 131 GLU   A HB3  1 c 2 
ATOM   3592 H HG2  . GLU   B 1 119 ? -8.553  -23.136 -33.233 1   29.881 ? 131 GLU   A HG2  1 c 2 
ATOM   3593 H HG3  . GLU   B 1 119 ? -8.052  -22.254 -34.461 1   29.908 ? 131 GLU   A HG3  1 c 2 
ATOM   3594 N N    . ILE   B 1 120 ? -10.023 -20.435 -32.125 1   26.001 ? 132 ILE   A N    1 ? 2 
ATOM   3595 C CA   . ILE   B 1 120 ? -11.322 -20.469 -31.483 1   25.812 ? 132 ILE   A CA   1 ? 2 
ATOM   3596 C C    . ILE   B 1 120 ? -12.336 -21.159 -32.382 1   28.631 ? 132 ILE   A C    1 ? 2 
ATOM   3597 O O    . ILE   B 1 120 ? -12.434 -20.806 -33.533 1   29.886 ? 132 ILE   A O    1 ? 2 
ATOM   3598 C CB   . ILE   B 1 120 ? -11.81  -19.058 -31.169 1   23.638 ? 132 ILE   A CB   1 ? 2 
ATOM   3599 C CG1  . ILE   B 1 120 ? -10.739 -18.239 -30.446 1   23.01  ? 132 ILE   A CG1  1 ? 2 
ATOM   3600 C CG2  . ILE   B 1 120 ? -13.152 -19.18  -30.405 1   26.847 ? 132 ILE   A CG2  1 ? 2 
ATOM   3601 C CD1  . ILE   B 1 120 ? -11.102 -16.796 -30.153 1   23.172 ? 132 ILE   A CD1  1 ? 2 
ATOM   3602 H H    . ILE   B 1 120 ? -9.963  -20.104 -32.975 1   27.332 ? 132 ILE   A H    1 c 2 
ATOM   3603 H HA   . ILE   B 1 120 ? -11.247 -20.967 -30.647 1   25.984 ? 132 ILE   A HA   1 c 2 
ATOM   3604 H HB   . ILE   B 1 120 ? -11.993 -18.614 -32.021 1   24.652 ? 132 ILE   A HB   1 c 2 
ATOM   3605 H HG12 . ILE   B 1 120 ? -10.53  -18.684 -29.6   1   23.059 ? 132 ILE   A HG12 1 c 2 
ATOM   3606 H HG13 . ILE   B 1 120 ? -9.926  -18.245 -30.99  1   23.432 ? 132 ILE   A HG13 1 c 2 
ATOM   3607 H HG21 . ILE   B 1 120 ? -13.373 -18.329 -29.993 1   24.811 ? 132 ILE   A HG21 1 c 2 
ATOM   3608 H HG22 . ILE   B 1 120 ? -13.075 -19.861 -29.715 1   26.187 ? 132 ILE   A HG22 1 c 2 
ATOM   3609 H HG23 . ILE   B 1 120 ? -13.86  -19.428 -31.024 1   26.744 ? 132 ILE   A HG23 1 c 2 
ATOM   3610 H HD11 . ILE   B 1 120 ? -11.467 -16.381 -30.957 1   22.963 ? 132 ILE   A HD11 1 c 2 
ATOM   3611 H HD12 . ILE   B 1 120 ? -10.304 -16.31  -29.871 1   22.082 ? 132 ILE   A HD12 1 c 2 
ATOM   3612 H HD13 . ILE   B 1 120 ? -11.768 -16.762 -29.44  1   22.43  ? 132 ILE   A HD13 1 c 2 
ATOM   3613 N N    . GLU   B 1 121 ? -13.083 -22.1   -31.795 1   29.901 ? 133 GLU   A N    1 ? 2 
ATOM   3614 C CA   . GLU   B 1 121 ? -14.237 -22.705 -32.425 1   31.203 ? 133 GLU   A CA   1 ? 2 
ATOM   3615 C C    . GLU   B 1 121 ? -15.486 -22.23  -31.717 1   30.893 ? 133 GLU   A C    1 ? 2 
ATOM   3616 O O    . GLU   B 1 121 ? -15.661 -22.489 -30.541 1   31.359 ? 133 GLU   A O    1 ? 2 
ATOM   3617 C CB   . GLU   B 1 121 ? -14.131 -24.237 -32.36  1   34.161 ? 133 GLU   A CB   1 ? 2 
ATOM   3618 C CG   . GLU   B 1 121 ? -15.335 -24.951 -32.942 1   36.625 ? 133 GLU   A CG   1 ? 2 
ATOM   3619 C CD   . GLU   B 1 121 ? -15.326 -26.473 -32.857 1   40.765 ? 133 GLU   A CD   1 ? 2 
ATOM   3620 O OE1  . GLU   B 1 121 ? -14.409 -27.032 -32.311 1   40.491 ? 133 GLU   A OE1  1 ? 2 
ATOM   3621 O OE2  . GLU   B 1 121 ? -16.249 -27.148 -33.322 1   44.276 ? 133 GLU   A OE2  1 ? 2 
ATOM   3622 H H    . GLU   B 1 121 ? -12.856 -22.379 -30.955 1   29.456 ? 133 GLU   A H    1 c 2 
ATOM   3623 H HA   . GLU   B 1 121 ? -14.268 -22.421 -33.371 1   31.904 ? 133 GLU   A HA   1 c 2 
ATOM   3624 H HB2  . GLU   B 1 121 ? -13.324 -24.52  -32.838 1   34.626 ? 133 GLU   A HB2  1 c 2 
ATOM   3625 H HB3  . GLU   B 1 121 ? -14.03  -24.504 -31.422 1   33.79  ? 133 GLU   A HB3  1 c 2 
ATOM   3626 H HG2  . GLU   B 1 121 ? -16.141 -24.628 -32.49  1   36.434 ? 133 GLU   A HG2  1 c 2 
ATOM   3627 H HG3  . GLU   B 1 121 ? -15.418 -24.701 -33.887 1   37.344 ? 133 GLU   A HG3  1 c 2 
ATOM   3628 N N    . LEU   B 1 122 ? -16.404 -21.615 -32.485 1   34.173 ? 134 LEU   A N    1 ? 2 
ATOM   3629 C CA   . LEU   B 1 122 ? -17.662 -21.176 -31.911 1   33.635 ? 134 LEU   A CA   1 ? 2 
ATOM   3630 C C    . LEU   B 1 122 ? -18.607 -22.365 -32.012 1   34.815 ? 134 LEU   A C    1 ? 2 
ATOM   3631 O O    . LEU   B 1 122 ? -19.02  -22.694 -33.102 1   39.852 ? 134 LEU   A O    1 ? 2 
ATOM   3632 C CB   . LEU   B 1 122 ? -18.232 -19.954 -32.631 1   30.599 ? 134 LEU   A CB   1 ? 2 
ATOM   3633 C CG   . LEU   B 1 122 ? -19.585 -19.46  -32.101 1   31.832 ? 134 LEU   A CG   1 ? 2 
ATOM   3634 C CD1  . LEU   B 1 122 ? -19.52  -19.201 -30.61  1   31.975 ? 134 LEU   A CD1  1 ? 2 
ATOM   3635 C CD2  . LEU   B 1 122 ? -19.981 -18.22  -32.921 1   33.081 ? 134 LEU   A CD2  1 ? 2 
ATOM   3636 H H    . LEU   B 1 122 ? -16.242 -21.469 -33.372 1   33.714 ? 134 LEU   A H    1 c 2 
ATOM   3637 H HA   . LEU   B 1 122 ? -17.517 -20.956 -30.958 1   31.949 ? 134 LEU   A HA   1 c 2 
ATOM   3638 H HB2  . LEU   B 1 122 ? -17.58  -19.219 -32.554 1   30.019 ? 134 LEU   A HB2  1 c 2 
ATOM   3639 H HB3  . LEU   B 1 122 ? -18.331 -20.175 -33.585 1   32.534 ? 134 LEU   A HB3  1 c 2 
ATOM   3640 H HG   . LEU   B 1 122 ? -20.262 -20.167 -32.265 1   33.699 ? 134 LEU   A HG   1 c 2 
ATOM   3641 H HD11 . LEU   B 1 122 ? -19.557 -20.045 -30.13  1   32.337 ? 134 LEU   A HD11 1 c 2 
ATOM   3642 H HD12 . LEU   B 1 122 ? -20.273 -18.646 -30.346 1   31.463 ? 134 LEU   A HD12 1 c 2 
ATOM   3643 H HD13 . LEU   B 1 122 ? -18.69  -18.742 -30.395 1   30.254 ? 134 LEU   A HD13 1 c 2 
ATOM   3644 H HD21 . LEU   B 1 122 ? -19.851 -18.398 -33.866 1   33.392 ? 134 LEU   A HD21 1 c 2 
ATOM   3645 H HD22 . LEU   B 1 122 ? -19.428 -17.466 -32.656 1   31.175 ? 134 LEU   A HD22 1 c 2 
ATOM   3646 H HD23 . LEU   B 1 122 ? -20.916 -18.007 -32.758 1   33.027 ? 134 LEU   A HD23 1 c 2 
ATOM   3647 N N    . LEU   B 1 123 ? -19.004 -22.942 -30.879 1   35.176 ? 135 LEU   A N    1 ? 2 
ATOM   3648 C CA   . LEU   B 1 123 ? -19.835 -24.13  -30.894 1   39.079 ? 135 LEU   A CA   1 ? 2 
ATOM   3649 C C    . LEU   B 1 123 ? -21.297 -23.753 -30.997 1   38.424 ? 135 LEU   A C    1 ? 2 
ATOM   3650 O O    . LEU   B 1 123 ? -22.077 -24.415 -31.693 1   39.462 ? 135 LEU   A O    1 ? 2 
ATOM   3651 C CB   . LEU   B 1 123 ? -19.582 -24.887 -29.605 1   43.379 ? 135 LEU   A CB   1 ? 2 
ATOM   3652 C CG   . LEU   B 1 123 ? -18.122 -25.237 -29.353 1   43.551 ? 135 LEU   A CG   1 ? 2 
ATOM   3653 C CD1  . LEU   B 1 123 ? -17.907 -25.736 -27.961 1   49.03  ? 135 LEU   A CD1  1 ? 2 
ATOM   3654 C CD2  . LEU   B 1 123 ? -17.747 -26.233 -30.391 1   47.081 ? 135 LEU   A CD2  1 ? 2 
ATOM   3655 H H    . LEU   B 1 123 ? -18.759 -22.58  -30.076 1   34.417 ? 135 LEU   A H    1 c 2 
ATOM   3656 H HA   . LEU   B 1 123 ? -19.585 -24.693 -31.67  1   40.459 ? 135 LEU   A HA   1 c 2 
ATOM   3657 H HB2  . LEU   B 1 123 ? -19.907 -24.338 -28.855 1   41.694 ? 135 LEU   A HB2  1 c 2 
ATOM   3658 H HB3  . LEU   B 1 123 ? -20.109 -25.719 -29.624 1   44.731 ? 135 LEU   A HB3  1 c 2 
ATOM   3659 H HG   . LEU   B 1 123 ? -17.571 -24.423 -29.484 1   42.59  ? 135 LEU   A HG   1 c 2 
ATOM   3660 H HD11 . LEU   B 1 123 ? -18.39  -25.172 -27.334 1   46.486 ? 135 LEU   A HD11 1 c 2 
ATOM   3661 H HD12 . LEU   B 1 123 ? -16.958 -25.712 -27.75  1   46.482 ? 135 LEU   A HD12 1 c 2 
ATOM   3662 H HD13 . LEU   B 1 123 ? -18.231 -26.65  -27.889 1   49.393 ? 135 LEU   A HD13 1 c 2 
ATOM   3663 H HD21 . LEU   B 1 123 ? -17.614 -25.784 -31.241 1   45.934 ? 135 LEU   A HD21 1 c 2 
ATOM   3664 H HD22 . LEU   B 1 123 ? -18.455 -26.892 -30.482 1   48.496 ? 135 LEU   A HD22 1 c 2 
ATOM   3665 H HD23 . LEU   B 1 123 ? -16.924 -26.679 -30.13  1   46.756 ? 135 LEU   A HD23 1 c 2 
ATOM   3666 N N    . ASP   B 1 124 ? -21.675 -22.692 -30.282 1   36.004 ? 136 ASP   A N    1 ? 2 
ATOM   3667 C CA   . ASP   B 1 124 ? -23.056 -22.304 -30.174 1   37.955 ? 136 ASP   A CA   1 ? 2 
ATOM   3668 C C    . ASP   B 1 124 ? -23.21  -20.974 -29.418 1   36.173 ? 136 ASP   A C    1 ? 2 
ATOM   3669 O O    . ASP   B 1 124 ? -22.308 -20.532 -28.709 1   36.03  ? 136 ASP   A O    1 ? 2 
ATOM   3670 C CB   . ASP   B 1 124 ? -23.88  -23.359 -29.471 1   38.904 ? 136 ASP   A CB   1 ? 2 
ATOM   3671 C CG   . ASP   B 1 124 ? -25.341 -23.382 -29.884 1   42.999 ? 136 ASP   A CG   1 ? 2 
ATOM   3672 O OD1  . ASP   B 1 124 ? -25.728 -22.607 -30.816 1   43.038 ? 136 ASP   A OD1  1 ? 2 
ATOM   3673 O OD2  . ASP   B 1 124 ? -26.057 -24.19  -29.294 1   50.819 ? 136 ASP   A OD2  1 ? 2 
ATOM   3674 H H    . ASP   B 1 124 ? -21.045 -22.197 -29.841 1   34.859 ? 136 ASP   A H    1 c 2 
ATOM   3675 H HA   . ASP   B 1 124 ? -23.409 -22.187 -31.084 1   38.132 ? 136 ASP   A HA   1 c 2 
ATOM   3676 H HB2  . ASP   B 1 124 ? -23.506 -24.248 -29.64  1   40.823 ? 136 ASP   A HB2  1 c 2 
ATOM   3677 H HB3  . ASP   B 1 124 ? -23.841 -23.201 -28.505 1   39.161 ? 136 ASP   A HB3  1 c 2 
ATOM   3678 N N    . PHE   B 1 125 ? -24.38  -20.334 -29.6   1   36.041 ? 137 PHE   A N    1 ? 2 
ATOM   3679 C CA   . PHE   B 1 125 ? -24.744 -19.179 -28.817 1   34.661 ? 137 PHE   A CA   1 ? 2 
ATOM   3680 C C    . PHE   B 1 125 ? -26.255 -19.086 -28.637 1   35.008 ? 137 PHE   A C    1 ? 2 
ATOM   3681 O O    . PHE   B 1 125 ? -27.025 -19.528 -29.483 1   36.679 ? 137 PHE   A O    1 ? 2 
ATOM   3682 C CB   . PHE   B 1 125 ? -24.128 -17.925 -29.456 1   34.44  ? 137 PHE   A CB   1 ? 2 
ATOM   3683 C CG   . PHE   B 1 125 ? -24.5   -17.615 -30.901 1   36.739 ? 137 PHE   A CG   1 ? 2 
ATOM   3684 C CD1  . PHE   B 1 125 ? -23.732 -18.118 -31.937 1   39.286 ? 137 PHE   A CD1  1 ? 2 
ATOM   3685 C CD2  . PHE   B 1 125 ? -25.564 -16.785 -31.227 1   34.789 ? 137 PHE   A CD2  1 ? 2 
ATOM   3686 C CE1  . PHE   B 1 125 ? -24.045 -17.825 -33.262 1   42.378 ? 137 PHE   A CE1  1 ? 2 
ATOM   3687 C CE2  . PHE   B 1 125 ? -25.849 -16.455 -32.538 1   37.326 ? 137 PHE   A CE2  1 ? 2 
ATOM   3688 C CZ   . PHE   B 1 125 ? -25.074 -16.951 -33.564 1   41.656 ? 137 PHE   A CZ   1 ? 2 
ATOM   3689 H H    . PHE   B 1 125 ? -24.958 -20.63  -30.242 1   37.504 ? 137 PHE   A H    1 c 2 
ATOM   3690 H HA   . PHE   B 1 125 ? -24.339 -19.29  -27.919 1   34.196 ? 137 PHE   A HA   1 c 2 
ATOM   3691 H HB2  . PHE   B 1 125 ? -24.376 -17.152 -28.902 1   33.764 ? 137 PHE   A HB2  1 c 2 
ATOM   3692 H HB3  . PHE   B 1 125 ? -23.15  -18.009 -29.401 1   33.295 ? 137 PHE   A HB3  1 c 2 
ATOM   3693 H HD1  . PHE   B 1 125 ? -23.004 -18.686 -31.742 1   38.792 ? 137 PHE   A HD1  1 c 2 
ATOM   3694 H HD2  . PHE   B 1 125 ? -26.077 -16.404 -30.533 1   35.88  ? 137 PHE   A HD2  1 c 2 
ATOM   3695 H HE1  . PHE   B 1 125 ? -23.507 -18.171 -33.956 1   41.755 ? 137 PHE   A HE1  1 c 2 
ATOM   3696 H HE2  . PHE   B 1 125 ? -26.58  -15.889 -32.731 1   38.426 ? 137 PHE   A HE2  1 c 2 
ATOM   3697 H HZ   . PHE   B 1 125 ? -25.298 -16.77  -34.463 1   41.683 ? 137 PHE   A HZ   1 c 2 
ATOM   3698 N N    . LYS   B 1 126 ? -26.662 -18.628 -27.456 1   34.615 ? 138 LYS   A N    1 ? 2 
ATOM   3699 C CA   . LYS   B 1 126 ? -28.069 -18.568 -27.096 1   40.256 ? 138 LYS   A CA   1 ? 2 
ATOM   3700 C C    . LYS   B 1 126 ? -28.355 -17.165 -26.561 1   41.039 ? 138 LYS   A C    1 ? 2 
ATOM   3701 O O    . LYS   B 1 126 ? -27.574 -16.593 -25.814 1   33.863 ? 138 LYS   A O    1 ? 2 
ATOM   3702 C CB   . LYS   B 1 126 ? -28.488 -19.657 -26.086 1   39.934 ? 138 LYS   A CB   1 ? 2 
ATOM   3703 H H    . LYS   B 1 126 ? -26.042 -18.34  -26.85  1   34.29  ? 138 LYS   A H    1 c 2 
ATOM   3704 H HA   . LYS   B 1 126 ? -28.605 -18.698 -27.92  1   40.344 ? 138 LYS   A HA   1 c 2 
ATOM   3705 H HB2  . LYS   B 1 126 ? -27.66  -20.054 -25.804 0   30     ? 138 LYS   A HB2  1 c 2 
ATOM   3706 H HB3  . LYS   B 1 126 ? -29.454 -19.69  -26.125 0   30     ? 138 LYS   A HB3  1 c 2 
ATOM   3707 N N    . GLY   B 1 127 ? -29.589 -16.711 -26.811 1   47.367 ? 139 GLY   A N    1 ? 2 
ATOM   3708 C CA   . GLY   B 1 127 ? -30.045 -15.457 -26.253 1   49.648 ? 139 GLY   A CA   1 ? 2 
ATOM   3709 C C    . GLY   B 1 127 ? -30.067 -15.514 -24.729 1   54.733 ? 139 GLY   A C    1 ? 2 
ATOM   3710 O O    . GLY   B 1 127 ? -30.232 -16.587 -24.146 1   60.87  ? 139 GLY   A O    1 ? 2 
ATOM   3711 H H    . GLY   B 1 127 ? -30.156 -17.195 -27.34  1   47.894 ? 139 GLY   A H    1 c 2 
ATOM   3712 H HA2  . GLY   B 1 127 ? -29.449 -14.732 -26.552 1   48.36  ? 139 GLY   A HA2  1 c 2 
ATOM   3713 H HA3  . GLY   B 1 127 ? -30.948 -15.27  -26.588 1   51.306 ? 139 GLY   A HA3  1 c 2 
ATOM   3714 N N    . GLU   B 1 128 ? -29.83  -14.347 -24.121 1   60.477 ? 140 GLU   A N    1 ? 2 
ATOM   3715 C CA   . GLU   B 1 128 ? -29.923 -14.134 -22.689 1   60.266 ? 140 GLU   A CA   1 ? 2 
ATOM   3716 C C    . GLU   B 1 128 ? -31.312 -14.637 -22.249 1   64.101 ? 140 GLU   A C    1 ? 2 
ATOM   3717 O O    . GLU   B 1 128 ? -32.238 -14.673 -23.133 1   61.016 ? 140 GLU   A O    1 ? 2 
ATOM   3718 C CB   . GLU   B 1 128 ? -29.56  -12.659 -22.45  1   61.647 ? 140 GLU   A CB   1 ? 2 
ATOM   3719 O OXT  . GLU   B 1 128 ? -31.42  -15.009 -21.06  1   65.69  ? 140 GLU   A OXT  1 ? 2 
ATOM   3720 H H    . GLU   B 1 128 ? -29.595 -13.635 -24.644 1   57.326 ? 140 GLU   A H    1 c 2 
ATOM   3721 H HA   . GLU   B 1 128 ? -29.236 -14.697 -22.25  1   60.549 ? 140 GLU   A HA   1 c 2 
ATOM   3722 H HB2  . GLU   B 1 128 ? -28.419 -12.852 -22.256 0   30     ? 140 GLU   A HB2  1 c 2 
ATOM   3723 H HB3  . GLU   B 1 128 ? -30.178 -12.278 -22.106 0   30     ? 140 GLU   A HB3  1 c 2 
HETATM 3724 C C4   A A1IOC C 2 .   ? -15.368 3.205   -13.929 0.5 29.475 ? 201 A1IOC B C4   1 ? 1 
HETATM 3725 C C4   B A1IOC C 2 .   ? -15.375 3.159   -13.907 0.5 28.966 ? 201 A1IOC B C4   1 ? 1 
HETATM 3726 C C14  A A1IOC C 2 .   ? -20.049 1.234   -14.843 0.5 32.525 ? 201 A1IOC B C14  1 ? 1 
HETATM 3727 C C14  B A1IOC C 2 .   ? -20.145 1.254   -14.852 0.5 32.774 ? 201 A1IOC B C14  1 ? 1 
HETATM 3728 C C5   A A1IOC C 2 .   ? -15.815 4.417   -14.456 0.5 32.835 ? 201 A1IOC B C5   1 ? 1 
HETATM 3729 C C5   B A1IOC C 2 .   ? -15.903 4.347   -14.401 0.5 31.875 ? 201 A1IOC B C5   1 ? 1 
HETATM 3730 C C6   A A1IOC C 2 .   ? -16.087 4.538   -15.811 0.5 37.348 ? 201 A1IOC B C6   1 ? 1 
HETATM 3731 C C6   B A1IOC C 2 .   ? -16.19  4.472   -15.748 0.5 35.982 ? 201 A1IOC B C6   1 ? 1 
HETATM 3732 C C11  A A1IOC C 2 .   ? -20.101 5.104   -15.148 0.5 40.76  ? 201 A1IOC B C11  1 ? 1 
HETATM 3733 C C11  B A1IOC C 2 .   ? -20.596 5.112   -14.566 0.5 42.012 ? 201 A1IOC B C11  1 ? 1 
HETATM 3734 C C7   A A1IOC C 2 .   ? -15.919 3.443   -16.651 0.5 35.23  ? 201 A1IOC B C7   1 ? 1 
HETATM 3735 C C7   B A1IOC C 2 .   ? -15.97  3.416   -16.621 0.5 34.38  ? 201 A1IOC B C7   1 ? 1 
HETATM 3736 C C8   A A1IOC C 2 .   ? -17.408 3.077   -18.485 0.5 39.183 ? 201 A1IOC B C8   1 ? 1 
HETATM 3737 C C8   B A1IOC C 2 .   ? -17.463 3.033   -18.458 0.5 38.306 ? 201 A1IOC B C8   1 ? 1 
HETATM 3738 C C9   A A1IOC C 2 .   ? -17.128 6.717   -15.718 0.5 45.51  ? 201 A1IOC B C9   1 ? 1 
HETATM 3739 C C9   B A1IOC C 2 .   ? -17.364 6.463   -15.405 0.5 41.783 ? 201 A1IOC B C9   1 ? 1 
HETATM 3740 C C10  A A1IOC C 2 .   ? -18.572 6.63    -16.105 0.5 46.749 ? 201 A1IOC B C10  1 ? 1 
HETATM 3741 C C10  B A1IOC C 2 .   ? -18.75  5.914   -15.488 0.5 42.339 ? 201 A1IOC B C10  1 ? 1 
HETATM 3742 C C12  A A1IOC C 2 .   ? -20.119 3.731   -14.557 0.5 37.727 ? 201 A1IOC B C12  1 ? 1 
HETATM 3743 C C12  B A1IOC C 2 .   ? -20.787 3.639   -14.419 0.5 38.392 ? 201 A1IOC B C12  1 ? 1 
HETATM 3744 C C13  A A1IOC C 2 .   ? -19.729 2.644   -15.203 0.5 36.624 ? 201 A1IOC B C13  1 ? 1 
HETATM 3745 C C13  B A1IOC C 2 .   ? -19.916 2.727   -14.818 0.5 36.265 ? 201 A1IOC B C13  1 ? 1 
HETATM 3746 N N1   A A1IOC C 2 .   ? -17.088 2.137   -11.437 0.5 24.897 ? 201 A1IOC B N1   1 ? 1 
HETATM 3747 N N1   B A1IOC C 2 .   ? -17.097 2.12    -11.442 0.5 25.031 ? 201 A1IOC B N1   1 ? 1 
HETATM 3748 C C3   A A1IOC C 2 .   ? -15.193 2.111   -14.773 0.5 29.854 ? 201 A1IOC B C3   1 ? 1 
HETATM 3749 C C3   B A1IOC C 2 .   ? -15.146 2.094   -14.775 0.5 29.434 ? 201 A1IOC B C3   1 ? 1 
HETATM 3750 C C1   A A1IOC C 2 .   ? -14.734 0.041   -16.571 0.5 30.898 ? 201 A1IOC B C1   1 ? 1 
HETATM 3751 C C1   B A1IOC C 2 .   ? -14.733 0.032   -16.585 0.5 30.545 ? 201 A1IOC B C1   1 ? 1 
HETATM 3752 O O1   A A1IOC C 2 .   ? -15.309 1.239   -17.049 0.5 33.127 ? 201 A1IOC B O1   1 ? 1 
HETATM 3753 O O1   B A1IOC C 2 .   ? -15.232 1.261   -17.068 0.5 32.748 ? 201 A1IOC B O1   1 ? 1 
HETATM 3754 C C2   A A1IOC C 2 .   ? -15.447 2.239   -16.13  0.5 32.698 ? 201 A1IOC B C2   1 ? 1 
HETATM 3755 C C2   B A1IOC C 2 .   ? -15.419 2.233   -16.128 0.5 32.148 ? 201 A1IOC B C2   1 ? 1 
HETATM 3756 O O2   A A1IOC C 2 .   ? -16.166 3.586   -18     0.5 38.841 ? 201 A1IOC B O2   1 ? 1 
HETATM 3757 O O2   B A1IOC C 2 .   ? -16.238 3.576   -17.964 0.5 37.978 ? 201 A1IOC B O2   1 ? 1 
HETATM 3758 O O3   A A1IOC C 2 .   ? -16.506 5.668   -16.478 0.5 43.265 ? 201 A1IOC B O3   1 ? 1 
HETATM 3759 O O3   B A1IOC C 2 .   ? -16.699 5.604   -16.33  0.5 41.375 ? 201 A1IOC B O3   1 ? 1 
HETATM 3760 O O4   A A1IOC C 2 .   ? -18.957 5.266   -15.991 0.5 42.537 ? 201 A1IOC B O4   1 ? 1 
HETATM 3761 O O4   B A1IOC C 2 .   ? -19.254 5.535   -14.22  0.5 42.047 ? 201 A1IOC B O4   1 ? 1 
HETATM 3762 C C15  A A1IOC C 2 .   ? -18.84  0.399   -14.586 0.5 30.07  ? 201 A1IOC B C15  1 ? 1 
HETATM 3763 C C15  B A1IOC C 2 .   ? -18.893 0.471   -14.631 0.5 30.405 ? 201 A1IOC B C15  1 ? 1 
HETATM 3764 O O5   A A1IOC C 2 .   ? -18.283 0.918   -13.371 0.5 26.565 ? 201 A1IOC B O5   1 ? 1 
HETATM 3765 O O5   B A1IOC C 2 .   ? -18.337 0.966   -13.403 0.5 26.838 ? 201 A1IOC B O5   1 ? 1 
HETATM 3766 C C16  A A1IOC C 2 .   ? -18.591 0.308   -12.219 0.5 24.567 ? 201 A1IOC B C16  1 ? 1 
HETATM 3767 C C16  B A1IOC C 2 .   ? -18.622 0.316   -12.266 0.5 24.985 ? 201 A1IOC B C16  1 ? 1 
HETATM 3768 O O6   A A1IOC C 2 .   ? -19.341 -0.618  -12.112 0.5 24.313 ? 201 A1IOC B O6   1 ? 1 
HETATM 3769 O O6   B A1IOC C 2 .   ? -19.352 -0.628  -12.178 0.5 24.81  ? 201 A1IOC B O6   1 ? 1 
HETATM 3770 C C17  A A1IOC C 2 .   ? -17.864 0.949   -11.049 0.5 24.055 ? 201 A1IOC B C17  1 ? 1 
HETATM 3771 C C17  B A1IOC C 2 .   ? -17.899 0.94    -11.083 0.5 24.24  ? 201 A1IOC B C17  1 ? 1 
HETATM 3772 C C18  A A1IOC C 2 .   ? -18.908 1.287   -9.986  0.5 24.053 ? 201 A1IOC B C18  1 ? 1 
HETATM 3773 C C18  B A1IOC C 2 .   ? -18.955 1.279   -10.032 0.5 24.16  ? 201 A1IOC B C18  1 ? 1 
HETATM 3774 C C19  A A1IOC C 2 .   ? -19.735 2.516   -10.274 0.5 25.45  ? 201 A1IOC B C19  1 ? 1 
HETATM 3775 C C19  B A1IOC C 2 .   ? -19.753 2.534   -10.293 0.5 25.674 ? 201 A1IOC B C19  1 ? 1 
HETATM 3776 C C20  A A1IOC C 2 .   ? -18.829 3.703   -10.482 0.5 25.343 ? 201 A1IOC B C20  1 ? 1 
HETATM 3777 C C20  B A1IOC C 2 .   ? -18.823 3.703   -10.486 0.5 25.489 ? 201 A1IOC B C20  1 ? 1 
HETATM 3778 C C21  A A1IOC C 2 .   ? -17.79  3.418   -11.589 0.5 26.635 ? 201 A1IOC B C21  1 ? 1 
HETATM 3779 C C21  B A1IOC C 2 .   ? -17.789 3.407   -11.596 0.5 26.771 ? 201 A1IOC B C21  1 ? 1 
HETATM 3780 C C22  A A1IOC C 2 .   ? -15.812 1.939   -11.84  0.5 24.962 ? 201 A1IOC B C22  1 ? 1 
HETATM 3781 C C22  B A1IOC C 2 .   ? -15.814 1.916   -11.823 0.5 24.985 ? 201 A1IOC B C22  1 ? 1 
HETATM 3782 O O7   A A1IOC C 2 .   ? -15.292 0.821   -11.75  0.5 23.927 ? 201 A1IOC B O7   1 ? 1 
HETATM 3783 O O7   B A1IOC C 2 .   ? -15.296 0.8     -11.731 0.5 24.024 ? 201 A1IOC B O7   1 ? 1 
HETATM 3784 C C23  A A1IOC C 2 .   ? -15.035 3.091   -12.463 0.5 26.926 ? 201 A1IOC B C23  1 ? 1 
HETATM 3785 C C23  B A1IOC C 2 .   ? -15.032 3.062   -12.444 0.5 26.756 ? 201 A1IOC B C23  1 ? 1 
HETATM 3786 C C24  A A1IOC C 2 .   ? -13.508 2.945   -12.188 0.5 26.345 ? 201 A1IOC B C24  1 ? 1 
HETATM 3787 C C24  B A1IOC C 2 .   ? -13.503 2.926   -12.177 0.5 26.305 ? 201 A1IOC B C24  1 ? 1 
HETATM 3788 C C25  A A1IOC C 2 .   ? -13.174 3.09    -10.705 0.5 24.208 ? 201 A1IOC B C25  1 ? 1 
HETATM 3789 C C25  B A1IOC C 2 .   ? -13.161 3.097   -10.698 0.5 24.22  ? 201 A1IOC B C25  1 ? 1 
HETATM 3790 C C26  A A1IOC C 2 .   ? -11.693 2.844   -10.457 0.5 24.997 ? 201 A1IOC B C26  1 ? 1 
HETATM 3791 C C26  B A1IOC C 2 .   ? -11.673 2.885   -10.455 0.5 25.051 ? 201 A1IOC B C26  1 ? 1 
HETATM 3792 C C27  A A1IOC C 2 .   ? -10.862 3.91    -11.099 0.5 28.235 ? 201 A1IOC B C27  1 ? 1 
HETATM 3793 C C27  B A1IOC C 2 .   ? -10.861 3.945   -11.134 0.5 28.395 ? 201 A1IOC B C27  1 ? 1 
HETATM 3794 C C28  A A1IOC C 2 .   ? -11.162 3.957   -12.576 0.5 29.462 ? 201 A1IOC B C28  1 ? 1 
HETATM 3795 C C28  B A1IOC C 2 .   ? -11.168 3.935   -12.607 0.5 29.572 ? 201 A1IOC B C28  1 ? 1 
HETATM 3796 C C29  A A1IOC C 2 .   ? -12.662 3.95    -12.972 0.5 29.157 ? 201 A1IOC B C29  1 ? 1 
HETATM 3797 C C29  B A1IOC C 2 .   ? -12.671 3.926   -12.981 0.5 29.166 ? 201 A1IOC B C29  1 ? 1 
HETATM 3798 H H18  A A1IOC C 2 .   ? -20.608 1.224   -14.04  0.5 31.88  ? 201 A1IOC B H18  1 c 1 
HETATM 3799 H H18  B A1IOC C 2 .   ? -20.791 1.01    -14.159 0.5 32.191 ? 201 A1IOC B H18  1 c 1 
HETATM 3800 H H17  A A1IOC C 2 .   ? -20.559 0.824   -15.57  0.5 33.974 ? 201 A1IOC B H17  1 c 1 
HETATM 3801 H H17  B A1IOC C 2 .   ? -20.521 1.002   -15.719 0.5 34.481 ? 201 A1IOC B H17  1 c 1 
HETATM 3802 H H5   A A1IOC C 2 .   ? -15.924 5.161   -13.887 0.5 32.971 ? 201 A1IOC B H5   1 c 1 
HETATM 3803 H H5   B A1IOC C 2 .   ? -16.054 5.071   -13.816 0.5 31.94  ? 201 A1IOC B H5   1 c 1 
HETATM 3804 H H14  A A1IOC C 2 .   ? -20.047 5.771   -14.42  0.5 40.226 ? 201 A1IOC B H14  1 c 1 
HETATM 3805 H H14  B A1IOC C 2 .   ? -21.224 5.588   -13.976 0.5 41.502 ? 201 A1IOC B H14  1 c 1 
HETATM 3806 H H13  A A1IOC C 2 .   ? -20.934 5.262   -15.652 0.5 42.138 ? 201 A1IOC B H13  1 c 1 
HETATM 3807 H H13  B A1IOC C 2 .   ? -20.783 5.378   -15.496 0.5 43.589 ? 201 A1IOC B H13  1 c 1 
HETATM 3808 H H7   A A1IOC C 2 .   ? -17.461 3.213   -19.445 0.5 41.36  ? 201 A1IOC B H7   1 c 1 
HETATM 3809 H H7   B A1IOC C 2 .   ? -17.513 3.17    -19.418 0.5 40.483 ? 201 A1IOC B H7   1 c 1 
HETATM 3810 H H8   A A1IOC C 2 .   ? -18.14  3.544   -18.051 0.5 39.019 ? 201 A1IOC B H8   1 c 1 
HETATM 3811 H H8   B A1IOC C 2 .   ? -18.21  3.478   -18.028 0.5 38.142 ? 201 A1IOC B H8   1 c 1 
HETATM 3812 H H6   A A1IOC C 2 .   ? -17.467 2.128   -18.288 0.5 38.086 ? 201 A1IOC B H6   1 c 1 
HETATM 3813 H H6   B A1IOC C 2 .   ? -17.496 2.082   -18.264 0.5 37.218 ? 201 A1IOC B H6   1 c 1 
HETATM 3814 H H10  A A1IOC C 2 .   ? -17.019 6.554   -14.754 0.5 43.257 ? 201 A1IOC B H10  1 c 1 
HETATM 3815 H H10  B A1IOC C 2 .   ? -16.997 6.355   -14.501 0.5 40.148 ? 201 A1IOC B H10  1 c 1 
HETATM 3816 H H9   A A1IOC C 2 .   ? -16.755 7.591   -15.968 0.5 46.572 ? 201 A1IOC B H9   1 c 1 
HETATM 3817 H H9   B A1IOC C 2 .   ? -17.337 7.397   -15.713 0.5 43.392 ? 201 A1IOC B H9   1 c 1 
HETATM 3818 H H12  A A1IOC C 2 .   ? -19.117 7.187   -15.507 0.5 45.732 ? 201 A1IOC B H12  1 c 1 
HETATM 3819 H H12  B A1IOC C 2 .   ? -19.343 6.59    -15.883 0.5 44.186 ? 201 A1IOC B H12  1 c 1 
HETATM 3820 H H11  A A1IOC C 2 .   ? -18.693 6.938   -17.03  0.5 48.047 ? 201 A1IOC B H11  1 c 1 
HETATM 3821 H H11  B A1IOC C 2 .   ? -18.75  5.133   -16.081 0.5 42.875 ? 201 A1IOC B H11  1 c 1 
HETATM 3822 H H15  A A1IOC C 2 .   ? -20.429 3.63    -13.664 0.5 36.345 ? 201 A1IOC B H15  1 c 1 
HETATM 3823 H H15  B A1IOC C 2 .   ? -21.585 3.334   -14.015 0.5 37.927 ? 201 A1IOC B H15  1 c 1 
HETATM 3824 H H16  A A1IOC C 2 .   ? -19.187 2.771   -15.973 0.5 37.434 ? 201 A1IOC B H16  1 c 1 
HETATM 3825 H H16  B A1IOC C 2 .   ? -19.067 3.035   -15.115 0.5 36.456 ? 201 A1IOC B H16  1 c 1 
HETATM 3826 H H4   A A1IOC C 2 .   ? -14.876 1.293   -14.423 0.5 28.873 ? 201 A1IOC B H4   1 c 1 
HETATM 3827 H H4   B A1IOC C 2 .   ? -14.771 1.292   -14.446 0.5 28.465 ? 201 A1IOC B H4   1 c 1 
HETATM 3828 H H2   A A1IOC C 2 .   ? -14.542 -0.547  -17.319 0.5 32.061 ? 201 A1IOC B H2   1 c 1 
HETATM 3829 H H2   B A1IOC C 2 .   ? -14.581 -0.571  -17.331 0.5 31.675 ? 201 A1IOC B H2   1 c 1 
HETATM 3830 H H3   A A1IOC C 2 .   ? -15.355 -0.395  -15.967 0.5 29.716 ? 201 A1IOC B H3   1 c 1 
HETATM 3831 H H3   B A1IOC C 2 .   ? -15.379 -0.362  -15.977 0.5 29.368 ? 201 A1IOC B H3   1 c 1 
HETATM 3832 H H1   A A1IOC C 2 .   ? -13.91  0.244   -16.099 0.5 30.511 ? 201 A1IOC B H1   1 c 1 
HETATM 3833 H H1   B A1IOC C 2 .   ? -13.897 0.184   -16.115 0.5 30.113 ? 201 A1IOC B H1   1 c 1 
HETATM 3834 H H20  A A1IOC C 2 .   ? -19.085 -0.544  -14.475 0.5 29.251 ? 201 A1IOC B H20  1 c 1 
HETATM 3835 H H20  B A1IOC C 2 .   ? -19.093 -0.485  -14.555 0.5 29.599 ? 201 A1IOC B H20  1 c 1 
HETATM 3836 H H19  A A1IOC C 2 .   ? -18.196 0.482   -15.321 0.5 30.834 ? 201 A1IOC B H19  1 c 1 
HETATM 3837 H H19  B A1IOC C 2 .   ? -18.265 0.611   -15.371 0.5 31.208 ? 201 A1IOC B H19  1 c 1 
HETATM 3838 H H21  A A1IOC C 2 .   ? -17.229 0.282   -10.676 0.5 23.074 ? 201 A1IOC B H21  1 c 1 
HETATM 3839 H H21  B A1IOC C 2 .   ? -17.28  0.259   -10.707 0.5 23.269 ? 201 A1IOC B H21  1 c 1 
HETATM 3840 H H23  A A1IOC C 2 .   ? -19.516 0.515   -9.883  0.5 23.586 ? 201 A1IOC B H23  1 c 1 
HETATM 3841 H H23  B A1IOC C 2 .   ? -19.583 0.519   -9.961  0.5 23.794 ? 201 A1IOC B H23  1 c 1 
HETATM 3842 H H22  A A1IOC C 2 .   ? -18.445 1.414   -9.124  0.5 23.031 ? 201 A1IOC B H22  1 c 1 
HETATM 3843 H H22  B A1IOC C 2 .   ? -18.506 1.37    -9.159  0.5 23.154 ? 201 A1IOC B H22  1 c 1 
HETATM 3844 H H24  A A1IOC C 2 .   ? -20.346 2.691   -9.523  0.5 24.852 ? 201 A1IOC B H24  1 c 1 
HETATM 3845 H H24  B A1IOC C 2 .   ? -20.354 2.71    -9.534  0.5 25.022 ? 201 A1IOC B H24  1 c 1 
HETATM 3846 H H25  A A1IOC C 2 .   ? -20.278 2.369   -11.083 0.5 26.216 ? 201 A1IOC B H25  1 c 1 
HETATM 3847 H H25  B A1IOC C 2 .   ? -20.306 2.415   -11.099 0.5 26.423 ? 201 A1IOC B H25  1 c 1 
HETATM 3848 H H26  A A1IOC C 2 .   ? -18.364 3.911   -9.644  0.5 24.877 ? 201 A1IOC B H26  1 c 1 
HETATM 3849 H H26  B A1IOC C 2 .   ? -18.354 3.892   -9.645  0.5 25.011 ? 201 A1IOC B H26  1 c 1 
HETATM 3850 H H27  A A1IOC C 2 .   ? -19.368 4.483   -10.734 0.5 26.784 ? 201 A1IOC B H27  1 c 1 
HETATM 3851 H H27  B A1IOC C 2 .   ? -19.344 4.497   -10.73  0.5 26.936 ? 201 A1IOC B H27  1 c 1 
HETATM 3852 H H28  A A1IOC C 2 .   ? -17.125 4.143   -11.595 0.5 26.986 ? 201 A1IOC B H28  1 c 1 
HETATM 3853 H H28  B A1IOC C 2 .   ? -17.118 4.127   -11.604 0.5 27.121 ? 201 A1IOC B H28  1 c 1 
HETATM 3854 H H29  A A1IOC C 2 .   ? -18.245 3.426   -12.462 0.5 27.595 ? 201 A1IOC B H29  1 c 1 
HETATM 3855 H H29  B A1IOC C 2 .   ? -18.246 3.418   -12.467 0.5 27.734 ? 201 A1IOC B H29  1 c 1 
HETATM 3856 H H30  A A1IOC C 2 .   ? -15.355 3.925   -12.031 0.5 27.117 ? 201 A1IOC B H30  1 c 1 
HETATM 3857 H H30  B A1IOC C 2 .   ? -15.354 3.898   -12.019 0.5 26.951 ? 201 A1IOC B H30  1 c 1 
HETATM 3858 H H31  A A1IOC C 2 .   ? -13.233 2.033   -12.471 0.5 26.066 ? 201 A1IOC B H31  1 c 1 
HETATM 3859 H H31  B A1IOC C 2 .   ? -13.225 2.012   -12.449 0.5 26.002 ? 201 A1IOC B H31  1 c 1 
HETATM 3860 H H33  A A1IOC C 2 .   ? -13.41  3.991   -10.404 0.5 24.942 ? 201 A1IOC B H33  1 c 1 
HETATM 3861 H H33  B A1IOC C 2 .   ? -13.414 3.996   -10.407 0.5 24.954 ? 201 A1IOC B H33  1 c 1 
HETATM 3862 H H32  A A1IOC C 2 .   ? -13.701 2.449   -10.187 0.5 23.248 ? 201 A1IOC B H32  1 c 1 
HETATM 3863 H H32  B A1IOC C 2 .   ? -13.672 2.451   -10.169 0.5 23.25  ? 201 A1IOC B H32  1 c 1 
HETATM 3864 H H34  A A1IOC C 2 .   ? -11.441 1.968   -10.823 0.5 24.833 ? 201 A1IOC B H34  1 c 1 
HETATM 3865 H H34  B A1IOC C 2 .   ? -11.408 2.002   -10.797 0.5 24.873 ? 201 A1IOC B H34  1 c 1 
HETATM 3866 H H35  A A1IOC C 2 .   ? -11.521 2.833   -9.489  0.5 24.164 ? 201 A1IOC B H35  1 c 1 
HETATM 3867 H H35  B A1IOC C 2 .   ? -11.494 2.905   -9.489  0.5 24.266 ? 201 A1IOC B H35  1 c 1 
HETATM 3868 H H36  A A1IOC C 2 .   ? -9.909  3.716   -10.959 0.5 28.095 ? 201 A1IOC B H36  1 c 1 
HETATM 3869 H H36  B A1IOC C 2 .   ? -9.905  3.773   -10.992 0.5 28.263 ? 201 A1IOC B H36  1 c 1 
HETATM 3870 H H37  A A1IOC C 2 .   ? -11.065 4.78    -10.691 0.5 28.202 ? 201 A1IOC B H37  1 c 1 
HETATM 3871 H H37  B A1IOC C 2 .   ? -11.079 4.824   -10.755 0.5 28.39  ? 201 A1IOC B H37  1 c 1 
HETATM 3872 H H38  A A1IOC C 2 .   ? -10.726 3.186   -13.004 0.5 29.585 ? 201 A1IOC B H38  1 c 1 
HETATM 3873 H H38  B A1IOC C 2 .   ? -10.744 3.143   -13.007 0.5 29.613 ? 201 A1IOC B H38  1 c 1 
HETATM 3874 H H39  A A1IOC C 2 .   ? -10.748 4.767   -12.95  0.5 31.15  ? 201 A1IOC B H39  1 c 1 
HETATM 3875 H H39  B A1IOC C 2 .   ? -10.751 4.725   -13.017 0.5 31.27  ? 201 A1IOC B H39  1 c 1 
HETATM 3876 H H41  A A1IOC C 2 .   ? -13.03  4.844   -12.835 0.5 29.748 ? 201 A1IOC B H41  1 c 1 
HETATM 3877 H H41  B A1IOC C 2 .   ? -13.036 4.822   -12.846 0.5 29.765 ? 201 A1IOC B H41  1 c 1 
HETATM 3878 H H40  A A1IOC C 2 .   ? -12.734 3.746   -13.926 0.5 30.201 ? 201 A1IOC B H40  1 c 1 
HETATM 3879 H H40  B A1IOC C 2 .   ? -12.757 3.714   -13.933 0.5 30.203 ? 201 A1IOC B H40  1 c 1 
HETATM 3880 C C4   . A1IOC D 2 .   ? -5.987  -17.145 -19.763 1   19.802 ? 201 A1IOC A C4   1 ? 2 
HETATM 3881 C C14  . A1IOC D 2 .   ? -10.584 -14.88  -18.499 1   20.539 ? 201 A1IOC A C14  1 ? 2 
HETATM 3882 C C5   . A1IOC D 2 .   ? -6.504  -18.306 -19.187 1   22.325 ? 201 A1IOC A C5   1 ? 2 
HETATM 3883 C C6   . A1IOC D 2 .   ? -6.741  -18.357 -17.82  1   25.071 ? 201 A1IOC A C6   1 ? 2 
HETATM 3884 C C11  . A1IOC D 2 .   ? -10.728 -18.71  -18.951 1   35.675 ? 201 A1IOC A C11  1 ? 2 
HETATM 3885 C C7   . A1IOC D 2 .   ? -6.385  -17.257 -17.033 1   23.165 ? 201 A1IOC A C7   1 ? 2 
HETATM 3886 C C8   . A1IOC D 2 .   ? -7.899  -16.97  -15.28  1   26.701 ? 201 A1IOC A C8   1 ? 2 
HETATM 3887 C C9   . A1IOC D 2 .   ? -8.13   -20.248 -17.737 1   30.03  ? 201 A1IOC A C9   1 ? 2 
HETATM 3888 C C10  . A1IOC D 2 .   ? -9.124  -19.246 -17.206 1   35.587 ? 201 A1IOC A C10  1 ? 2 
HETATM 3889 C C12  . A1IOC D 2 .   ? -11.066 -17.263 -18.9   1   28.728 ? 201 A1IOC A C12  1 ? 2 
HETATM 3890 C C13  . A1IOC D 2 .   ? -10.451 -16.344 -18.192 1   25.055 ? 201 A1IOC A C13  1 ? 2 
HETATM 3891 N N1   . A1IOC D 2 .   ? -7.87   -16.054 -22.17  1   17.82  ? 201 A1IOC A N1   1 ? 2 
HETATM 3892 C C3   . A1IOC D 2 .   ? -5.706  -16.023 -18.991 1   18.574 ? 201 A1IOC A C3   1 ? 2 
HETATM 3893 C C1   . A1IOC D 2 .   ? -5.127  -13.881 -17.3   1   22.001 ? 201 A1IOC A C1   1 ? 2 
HETATM 3894 O O1   . A1IOC D 2 .   ? -5.613  -15.102 -16.731 1   22.069 ? 201 A1IOC A O1   1 ? 2 
HETATM 3895 C C2   . A1IOC D 2 .   ? -5.968  -16.069 -17.608 1   20.782 ? 201 A1IOC A C2   1 ? 2 
HETATM 3896 O O2   . A1IOC D 2 .   ? -6.569  -17.346 -15.66  1   27.888 ? 201 A1IOC A O2   1 ? 2 
HETATM 3897 O O3   . A1IOC D 2 .   ? -7.142  -19.487 -17.109 1   28.02  ? 201 A1IOC A O3   1 ? 2 
HETATM 3898 O O4   . A1IOC D 2 .   ? -10.372 -19.266 -17.795 1   31.615 ? 201 A1IOC A O4   1 ? 2 
HETATM 3899 C C15  . A1IOC D 2 .   ? -9.28   -14.202 -18.88  1   19.585 ? 201 A1IOC A C15  1 ? 2 
HETATM 3900 O O5   . A1IOC D 2 .   ? -8.825  -14.762 -20.158 1   16.946 ? 201 A1IOC A O5   1 ? 2 
HETATM 3901 C C16  . A1IOC D 2 .   ? -9.221  -14.133 -21.262 1   17.365 ? 201 A1IOC A C16  1 ? 2 
HETATM 3902 O O6   . A1IOC D 2 .   ? -10.021 -13.247 -21.25  1   18.064 ? 201 A1IOC A O6   1 ? 2 
HETATM 3903 C C17  . A1IOC D 2 .   ? -8.662  -14.837 -22.508 1   18.252 ? 201 A1IOC A C17  1 ? 2 
HETATM 3904 C C18  . A1IOC D 2 .   ? -9.804  -15.207 -23.467 1   20.304 ? 201 A1IOC A C18  1 ? 2 
HETATM 3905 C C19  . A1IOC D 2 .   ? -10.717 -16.346 -23.025 1   18.634 ? 201 A1IOC A C19  1 ? 2 
HETATM 3906 C C20  . A1IOC D 2 .   ? -9.851  -17.547 -22.781 1   18.911 ? 201 A1IOC A C20  1 ? 2 
HETATM 3907 C C21  . A1IOC D 2 .   ? -8.678  -17.273 -21.808 1   18.114 ? 201 A1IOC A C21  1 ? 2 
HETATM 3908 C C22  . A1IOC D 2 .   ? -6.579  -15.911 -21.846 1   17.566 ? 201 A1IOC A C22  1 ? 2 
HETATM 3909 O O7   . A1IOC D 2 .   ? -6.084  -14.777 -21.94  1   19.289 ? 201 A1IOC A O7   1 ? 2 
HETATM 3910 C C23  . A1IOC D 2 .   ? -5.772  -17.102 -21.269 1   19.9   ? 201 A1IOC A C23  1 ? 2 
HETATM 3911 C C24  . A1IOC D 2 .   ? -4.282  -16.99  -21.6   1   18.866 ? 201 A1IOC A C24  1 ? 2 
HETATM 3912 C C25  . A1IOC D 2 .   ? -4.037  -17.045 -23.109 1   19.376 ? 201 A1IOC A C25  1 ? 2 
HETATM 3913 C C26  . A1IOC D 2 .   ? -2.563  -17.153 -23.484 1   20.335 ? 201 A1IOC A C26  1 ? 2 
HETATM 3914 C C27  . A1IOC D 2 .   ? -1.761  -18.166 -22.75  1   23.198 ? 201 A1IOC A C27  1 ? 2 
HETATM 3915 C C28  . A1IOC D 2 .   ? -1.94   -17.89  -21.276 1   23.916 ? 201 A1IOC A C28  1 ? 2 
HETATM 3916 C C29  . A1IOC D 2 .   ? -3.405  -18.015 -20.923 1   21.054 ? 201 A1IOC A C29  1 ? 2 
HETATM 3917 H H18  . A1IOC D 2 .   ? -11.217 -14.762 -19.235 1   20.849 ? 201 A1IOC A H18  1 c 2 
HETATM 3918 H H17  . A1IOC D 2 .   ? -10.949 -14.422 -17.715 1   21.815 ? 201 A1IOC A H17  1 c 2 
HETATM 3919 H H5   . A1IOC D 2 .   ? -6.69   -19.053 -19.73  1   22.839 ? 201 A1IOC A H5   1 c 2 
HETATM 3920 H H14  . A1IOC D 2 .   ? -9.982  -18.842 -19.585 1   32.21  ? 201 A1IOC A H14  1 c 2 
HETATM 3921 H H13  . A1IOC D 2 .   ? -11.51  -19.21  -19.29  1   33.377 ? 201 A1IOC A H13  1 c 2 
HETATM 3922 H H7   . A1IOC D 2 .   ? -7.857  -16.379 -14.509 1   27.658 ? 201 A1IOC A H7   1 c 2 
HETATM 3923 H H8   . A1IOC D 2 .   ? -8.407  -17.763 -15.048 1   28.267 ? 201 A1IOC A H8   1 c 2 
HETATM 3924 H H6   . A1IOC D 2 .   ? -8.332  -16.508 -16.015 1   26.043 ? 201 A1IOC A H6   1 c 2 
HETATM 3925 H H10  . A1IOC D 2 .   ? -8.064  -20.216 -18.715 1   29.816 ? 201 A1IOC A H10  1 c 2 
HETATM 3926 H H9   . A1IOC D 2 .   ? -8.237  -21.128 -17.312 1   32.255 ? 201 A1IOC A H9   1 c 2 
HETATM 3927 H H12  . A1IOC D 2 .   ? -9.236  -19.399 -16.242 1   34.189 ? 201 A1IOC A H12  1 c 2 
HETATM 3928 H H11  . A1IOC D 2 .   ? -8.759  -18.35  -17.31  1   31.722 ? 201 A1IOC A H11  1 c 2 
HETATM 3929 H H15  . A1IOC D 2 .   ? -11.799 -16.984 -19.433 1   28.52  ? 201 A1IOC A H15  1 c 2 
HETATM 3930 H H16  . A1IOC D 2 .   ? -9.923  -16.615 -17.457 1   25.785 ? 201 A1IOC A H16  1 c 2 
HETATM 3931 H H4   . A1IOC D 2 .   ? -5.369  -15.239 -19.397 1   18.459 ? 201 A1IOC A H4   1 c 2 
HETATM 3932 H H2   . A1IOC D 2 .   ? -4.944  -13.246 -16.588 1   22.14  ? 201 A1IOC A H2   1 c 2 
HETATM 3933 H H3   . A1IOC D 2 .   ? -5.797  -13.511 -17.896 1   20.913 ? 201 A1IOC A H3   1 c 2 
HETATM 3934 H H1   . A1IOC D 2 .   ? -4.309  -14.054 -17.794 1   21.419 ? 201 A1IOC A H1   1 c 2 
HETATM 3935 H H20  . A1IOC D 2 .   ? -9.412  -13.234 -18.956 1   18.675 ? 201 A1IOC A H20  1 c 2 
HETATM 3936 H H19  . A1IOC D 2 .   ? -8.612  -14.371 -18.183 1   19.625 ? 201 A1IOC A H19  1 c 2 
HETATM 3937 H H21  . A1IOC D 2 .   ? -8.057  -14.2   -22.973 1   17.67  ? 201 A1IOC A H21  1 c 2 
HETATM 3938 H H23  . A1IOC D 2 .   ? -10.359 -14.404 -23.616 1   18.808 ? 201 A1IOC A H23  1 c 2 
HETATM 3939 H H22  . A1IOC D 2 .   ? -9.407  -15.45  -24.337 1   19.14  ? 201 A1IOC A H22  1 c 2 
HETATM 3940 H H24  . A1IOC D 2 .   ? -11.381 -16.541 -23.725 1   19.21  ? 201 A1IOC A H24  1 c 2 
HETATM 3941 H H25  . A1IOC D 2 .   ? -11.194 -16.098 -22.199 1   19.281 ? 201 A1IOC A H25  1 c 2 
HETATM 3942 H H26  . A1IOC D 2 .   ? -9.488  -17.858 -23.637 1   18.872 ? 201 A1IOC A H26  1 c 2 
HETATM 3943 H H27  . A1IOC D 2 .   ? -10.405 -18.27  -22.416 1   19.764 ? 201 A1IOC A H27  1 c 2 
HETATM 3944 H H28  . A1IOC D 2 .   ? -8.089  -18.06  -21.798 1   19.115 ? 201 A1IOC A H28  1 c 2 
HETATM 3945 H H29  . A1IOC D 2 .   ? -9.036  -17.16  -20.899 1   18.906 ? 201 A1IOC A H29  1 c 2 
HETATM 3946 H H30  . A1IOC D 2 .   ? -6.124  -17.944 -21.656 1   19.81  ? 201 A1IOC A H30  1 c 2 
HETATM 3947 H H31  . A1IOC D 2 .   ? -3.977  -16.098 -21.288 1   18.951 ? 201 A1IOC A H31  1 c 2 
HETATM 3948 H H33  . A1IOC D 2 .   ? -4.515  -17.815 -23.48  1   19.717 ? 201 A1IOC A H33  1 c 2 
HETATM 3949 H H32  . A1IOC D 2 .   ? -4.408  -16.239 -23.521 1   18.559 ? 201 A1IOC A H32  1 c 2 
HETATM 3950 H H34  . A1IOC D 2 .   ? -2.146  -16.273 -23.348 1   20.177 ? 201 A1IOC A H34  1 c 2 
HETATM 3951 H H35  . A1IOC D 2 .   ? -2.505  -17.353 -24.445 1   20.734 ? 201 A1IOC A H35  1 c 2 
HETATM 3952 H H36  . A1IOC D 2 .   ? -0.814  -18.092 -22.996 1   23.299 ? 201 A1IOC A H36  1 c 2 
HETATM 3953 H H37  . A1IOC D 2 .   ? -2.077  -19.071 -22.966 1   23.603 ? 201 A1IOC A H37  1 c 2 
HETATM 3954 H H38  . A1IOC D 2 .   ? -1.622  -16.986 -21.067 1   22.687 ? 201 A1IOC A H38  1 c 2 
HETATM 3955 H H39  . A1IOC D 2 .   ? -1.415  -18.534 -20.75  1   24.125 ? 201 A1IOC A H39  1 c 2 
HETATM 3956 H H41  . A1IOC D 2 .   ? -3.715  -18.909 -21.171 1   22.069 ? 201 A1IOC A H41  1 c 2 
HETATM 3957 H H40  . A1IOC D 2 .   ? -3.502  -17.927 -19.953 1   21.763 ? 201 A1IOC A H40  1 c 2 
HETATM 3958 O O    . HOH   E 3 .   ? -5.062  -0.207  11.524  1   32.701 ? 301 HOH   B O    1 ? ? 
HETATM 3959 O O    . HOH   E 3 .   ? -20.461 4.933   -17.762 1   42.724 ? 302 HOH   B O    1 ? ? 
HETATM 3960 O O    . HOH   E 3 .   ? -13.669 -17.009 5.459   1   39.175 ? 303 HOH   B O    1 ? ? 
HETATM 3961 O O    . HOH   E 3 .   ? -25.142 0.755   6.988   1   29.087 ? 304 HOH   B O    1 ? ? 
HETATM 3962 O O    . HOH   E 3 .   ? -12.453 1.556   11.528  1   36.312 ? 305 HOH   B O    1 ? ? 
HETATM 3963 O O    . HOH   E 3 .   ? -18.292 12.762  -3.116  1   41.887 ? 306 HOH   B O    1 ? ? 
HETATM 3964 O O    . HOH   E 3 .   ? -14.158 12.941  0.688   1   44.484 ? 307 HOH   B O    1 ? ? 
HETATM 3965 O O    . HOH   E 3 .   ? -13.688 -0.777  11.282  1   34.152 ? 308 HOH   B O    1 ? ? 
HETATM 3966 O O    . HOH   E 3 .   ? -19.289 -2.005  7.824   1   33.787 ? 309 HOH   B O    1 ? ? 
HETATM 3967 O O    . HOH   E 3 .   ? -6.875  -12.734 -1.546  1   37.255 ? 310 HOH   B O    1 ? ? 
HETATM 3968 O O    . HOH   E 3 .   ? -32.758 -2.418  5.586   1   38.772 ? 311 HOH   B O    1 ? ? 
HETATM 3969 O O    . HOH   E 3 .   ? -2.71   -6.029  -14.271 1   31.487 ? 312 HOH   B O    1 ? ? 
HETATM 3970 O O    . HOH   E 3 .   ? -5.373  -7.167  -6.997  1   29.963 ? 313 HOH   B O    1 ? ? 
HETATM 3971 O O    . HOH   E 3 .   ? -31.998 4.634   5.058   1   28.265 ? 314 HOH   B O    1 ? ? 
HETATM 3972 O O    . HOH   E 3 .   ? -25.2   4.348   8.289   1   32.003 ? 315 HOH   B O    1 ? ? 
HETATM 3973 O O    . HOH   E 3 .   ? -10.381 -15.426 -13.845 1   30.992 ? 316 HOH   B O    1 ? ? 
HETATM 3974 O O    . HOH   E 3 .   ? -13.416 -12.399 6.651   1   22.699 ? 317 HOH   B O    1 ? ? 
HETATM 3975 O O    . HOH   E 3 .   ? -9.403  -6.425  -13.063 1   19.953 ? 318 HOH   B O    1 ? ? 
HETATM 3976 O O    . HOH   E 3 .   ? -18.276 -7.498  -11.084 1   20.275 ? 319 HOH   B O    1 ? ? 
HETATM 3977 O O    . HOH   E 3 .   ? -23.657 0.644   -16.506 1   43.976 ? 320 HOH   B O    1 ? ? 
HETATM 3978 O O    . HOH   E 3 .   ? -10.612 4.254   5.024   1   30.944 ? 321 HOH   B O    1 ? ? 
HETATM 3979 O O    . HOH   E 3 .   ? -7.032  -7.178  -2.929  1   25.299 ? 322 HOH   B O    1 ? ? 
HETATM 3980 O O    . HOH   E 3 .   ? -19.636 12.852  -0.428  1   45.148 ? 323 HOH   B O    1 ? ? 
HETATM 3981 O O    . HOH   E 3 .   ? -7.985  -11.835 -5.282  1   25.986 ? 324 HOH   B O    1 ? ? 
HETATM 3982 O O    . HOH   E 3 .   ? -34.707 0.708   -10.901 1   39.853 ? 325 HOH   B O    1 ? ? 
HETATM 3983 O O    . HOH   E 3 .   ? -25.12  -6.971  0.724   1   23.904 ? 326 HOH   B O    1 ? ? 
HETATM 3984 O O    . HOH   E 3 .   ? -22.126 -6.923  -12.098 1   47.348 ? 327 HOH   B O    1 ? ? 
HETATM 3985 O O    . HOH   E 3 .   ? -21.463 -18.472 2.101   1   52.091 ? 328 HOH   B O    1 ? ? 
HETATM 3986 O O    . HOH   E 3 .   ? -10.173 -5.93   7.893   1   19.684 ? 329 HOH   B O    1 ? ? 
HETATM 3987 O O    . HOH   E 3 .   ? -19.346 -14.02  -1.564  1   22.087 ? 330 HOH   B O    1 ? ? 
HETATM 3988 O O    . HOH   E 3 .   ? -14.472 -17.255 -2.47   1   38.812 ? 331 HOH   B O    1 ? ? 
HETATM 3989 O O    . HOH   E 3 .   ? -22.119 -1.641  7.32    1   26.181 ? 332 HOH   B O    1 ? ? 
HETATM 3990 O O    . HOH   E 3 .   ? -11.161 -6.453  -0.522  1   20.701 ? 333 HOH   B O    1 ? ? 
HETATM 3991 O O    . HOH   E 3 .   ? -4.047  -2.272  1.374   1   39.167 ? 334 HOH   B O    1 ? ? 
HETATM 3992 O O    . HOH   E 3 .   ? -18.032 0.225   9.437   1   31.225 ? 335 HOH   B O    1 ? ? 
HETATM 3993 O O    . HOH   E 3 .   ? -6.642  -5.727  1.015   1   25.448 ? 336 HOH   B O    1 ? ? 
HETATM 3994 O O    . HOH   E 3 .   ? -21.721 15.096  1.567   1   35.405 ? 337 HOH   B O    1 ? ? 
HETATM 3995 O O    . HOH   E 3 .   ? -12.118 0.861   -19.729 1   38.943 ? 338 HOH   B O    1 ? ? 
HETATM 3996 O O    . HOH   E 3 .   ? -20.454 -8.962  7.729   1   37.459 ? 339 HOH   B O    1 ? ? 
HETATM 3997 O O    . HOH   E 3 .   ? -21.167 9.534   11.441  1   31.069 ? 340 HOH   B O    1 ? ? 
HETATM 3998 O O    . HOH   E 3 .   ? -12.822 -8.052  8.749   1   21.195 ? 341 HOH   B O    1 ? ? 
HETATM 3999 O O    . HOH   E 3 .   ? -11.058 -5.494  -10.984 1   18.925 ? 342 HOH   B O    1 ? ? 
HETATM 4000 O O    . HOH   E 3 .   ? -6.795  7.365   -0.694  1   46.104 ? 343 HOH   B O    1 ? ? 
HETATM 4001 O O    . HOH   E 3 .   ? -2.752  -7.476  -9.999  1   28.177 ? 344 HOH   B O    1 ? ? 
HETATM 4002 O O    . HOH   E 3 .   ? -21.511 -11.535 -1.097  1   29.16  ? 345 HOH   B O    1 ? ? 
HETATM 4003 O O    . HOH   E 3 .   ? -9.896  -5.787  -20.528 1   20.829 ? 346 HOH   B O    1 ? ? 
HETATM 4004 O O    . HOH   E 3 .   ? -4.429  -1.18   -7.96   1   39.745 ? 347 HOH   B O    1 ? ? 
HETATM 4005 O O    . HOH   E 3 .   ? -11.828 -10.285 7.547   1   22.928 ? 348 HOH   B O    1 ? ? 
HETATM 4006 O O    . HOH   E 3 .   ? -15.894 -4.347  -18.561 1   40.519 ? 349 HOH   B O    1 ? ? 
HETATM 4007 O O    . HOH   E 3 .   ? -9.195  -14.467 0.71    1   51.571 ? 350 HOH   B O    1 ? ? 
HETATM 4008 O O    . HOH   E 3 .   ? -12.015 -12.633 -3.931  1   31.942 ? 351 HOH   B O    1 ? ? 
HETATM 4009 O O    . HOH   E 3 .   ? -4.596  -3.865  -8.106  1   30.485 ? 352 HOH   B O    1 ? ? 
HETATM 4010 O O    . HOH   E 3 .   ? -23.567 -8.088  2.699   1   29.717 ? 353 HOH   B O    1 ? ? 
HETATM 4011 O O    . HOH   E 3 .   ? -7.281  -10.142 2.322   1   26.027 ? 354 HOH   B O    1 ? ? 
HETATM 4012 O O    . HOH   E 3 .   ? -11.922 -13.442 -13.606 1   37.461 ? 355 HOH   B O    1 ? ? 
HETATM 4013 O O    . HOH   E 3 .   ? -26.24  8.301   -13.779 1   36.833 ? 356 HOH   B O    1 ? ? 
HETATM 4014 O O    . HOH   E 3 .   ? -12.432 -11.794 -15.886 1   24.438 ? 357 HOH   B O    1 ? ? 
HETATM 4015 O O    . HOH   E 3 .   ? -7.531  9.075   -13.695 1   46.896 ? 358 HOH   B O    1 ? ? 
HETATM 4016 O O    . HOH   E 3 .   ? -15.555 -8.741  9.179   1   22     ? 359 HOH   B O    1 ? ? 
HETATM 4017 O O    . HOH   E 3 .   ? -6.768  -8.05   2.471   1   33.833 ? 360 HOH   B O    1 ? ? 
HETATM 4018 O O    . HOH   E 3 .   ? -13.596 -14.605 -4.648  1   38.017 ? 361 HOH   B O    1 ? ? 
HETATM 4019 O O    . HOH   E 3 .   ? -37.102 7.74    -1.434  1   61.26  ? 362 HOH   B O    1 ? ? 
HETATM 4020 O O    . HOH   E 3 .   ? -7.43   -7.081  8.714   1   24.8   ? 363 HOH   B O    1 ? ? 
HETATM 4021 O O    . HOH   E 3 .   ? -21.068 17.055  -8.753  1   37.211 ? 364 HOH   B O    1 ? ? 
HETATM 4022 O O    . HOH   E 3 .   ? -15.166 8.117   10.218  1   42.17  ? 365 HOH   B O    1 ? ? 
HETATM 4023 O O    . HOH   E 3 .   ? -4.606  -1.393  -0.447  1   58.292 ? 366 HOH   B O    1 ? ? 
HETATM 4024 O O    . HOH   E 3 .   ? -3.29   2.967   1.328   1   27.758 ? 367 HOH   B O    1 ? ? 
HETATM 4025 O O    . HOH   E 3 .   ? -13.67  -17.997 1.991   1   38.836 ? 368 HOH   B O    1 ? ? 
HETATM 4026 O O    . HOH   E 3 .   ? -0.805  7.3     4.451   1   54.223 ? 369 HOH   B O    1 ? ? 
HETATM 4027 O O    . HOH   E 3 .   ? -17.693 9.801   -14.256 1   44.178 ? 370 HOH   B O    1 ? ? 
HETATM 4028 O O    . HOH   E 3 .   ? -26.738 -3.077  6.86    1   44.84  ? 371 HOH   B O    1 ? ? 
HETATM 4029 O O    . HOH   E 3 .   ? -3.255  3.609   6.6     1   43.932 ? 372 HOH   B O    1 ? ? 
HETATM 4030 O O    . HOH   E 3 .   ? -10.816 -16.422 -7.238  1   50.522 ? 373 HOH   B O    1 ? ? 
HETATM 4031 O O    . HOH   E 3 .   ? -10.537 -14.241 -2.401  1   41.569 ? 374 HOH   B O    1 ? ? 
HETATM 4032 O O    . HOH   E 3 .   ? -27.425 11.01   -16.63  1   56.849 ? 375 HOH   B O    1 ? ? 
HETATM 4033 O O    . HOH   E 3 .   ? -33.417 11.865  -5.659  1   64.195 ? 376 HOH   B O    1 ? ? 
HETATM 4034 O O    . HOH   E 3 .   ? -18.277 10.767  -1.641  1   37.856 ? 377 HOH   B O    1 ? ? 
HETATM 4035 O O    . HOH   E 3 .   ? -9.295  6.186   5.918   1   36.244 ? 378 HOH   B O    1 ? ? 
HETATM 4036 O O    . HOH   E 3 .   ? -10.575 -14.567 3.525   1   37.871 ? 379 HOH   B O    1 ? ? 
HETATM 4037 O O    . HOH   E 3 .   ? -5.599  -9.314  6.737   1   40.338 ? 380 HOH   B O    1 ? ? 
HETATM 4038 O O    . HOH   E 3 .   ? -16.227 14.597  -1.784  1   36.959 ? 381 HOH   B O    1 ? ? 
HETATM 4039 O O    . HOH   E 3 .   ? -17.028 -14.227 -6.366  1   59.161 ? 382 HOH   B O    1 ? ? 
HETATM 4040 O O    . HOH   E 3 .   ? -11.343 -14.035 6.051   1   38.94  ? 383 HOH   B O    1 ? ? 
HETATM 4041 O O    . HOH   E 3 .   ? -34.165 8.316   5.816   1   43.308 ? 384 HOH   B O    1 ? ? 
HETATM 4042 O O    . HOH   E 3 .   ? -4.304  -14.210 -9.624  1   33.638 ? 385 HOH   B O    1 ? ? 
HETATM 4043 O O    . HOH   E 3 .   ? -28.675 -11.041 -11.003 1   49.474 ? 386 HOH   B O    1 ? ? 
HETATM 4044 O O    . HOH   E 3 .   ? -20.184 -3.423  -15.177 1   45.743 ? 387 HOH   B O    1 ? ? 
HETATM 4045 O O    . HOH   E 3 .   ? -6.972  -10.159 -3.504  1   35.462 ? 388 HOH   B O    1 ? ? 
HETATM 4046 O O    . HOH   E 3 .   ? -34.367 6.089   4.17    1   33.347 ? 389 HOH   B O    1 ? ? 
HETATM 4047 O O    . HOH   E 3 .   ? -24.072 2.801   10.177  1   42.953 ? 390 HOH   B O    1 ? ? 
HETATM 4048 O O    . HOH   E 3 .   ? -18.873 15.197  1.082   1   30.427 ? 391 HOH   B O    1 ? ? 
HETATM 4049 O O    . HOH   E 3 .   ? -31.213 12.663  -4.468  1   52.407 ? 392 HOH   B O    1 ? ? 
HETATM 4050 O O    . HOH   E 3 .   ? -24.156 0.058   9.124   1   44.311 ? 393 HOH   B O    1 ? ? 
HETATM 4051 O O    . HOH   E 3 .   ? -19.99  -8.199  -13.096 1   38.5   ? 394 HOH   B O    1 ? ? 
HETATM 4052 O O    . HOH   E 3 .   ? -27.963 9.771   -14.846 1   46.377 ? 395 HOH   B O    1 ? ? 
HETATM 4053 O O    . HOH   E 3 .   ? -8.367  -6.512  -0.899  1   25.574 ? 396 HOH   B O    1 ? ? 
HETATM 4054 O O    . HOH   E 3 .   ? -8.737  -15.595 -11.58  1   44.748 ? 397 HOH   B O    1 ? ? 
HETATM 4055 O O    . HOH   E 3 .   ? -20.184 0.317   11.013  1   40.673 ? 398 HOH   B O    1 ? ? 
HETATM 4056 O O    . HOH   F 3 .   ? -23.271 -13.282 -41.105 1   54.612 ? 301 HOH   A O    1 ? ? 
HETATM 4057 O O    . HOH   F 3 .   ? 3.665   -7.776  -28.073 1   36.83  ? 302 HOH   A O    1 ? ? 
HETATM 4058 O O    . HOH   F 3 .   ? -0.969  -11.128 -10.188 1   18.319 ? 303 HOH   A O    1 ? ? 
HETATM 4059 O O    . HOH   F 3 .   ? -6.032  -2.02   -40.74  1   36.37  ? 304 HOH   A O    1 ? ? 
HETATM 4060 O O    . HOH   F 3 .   ? 0.736   -2.372  -24.349 1   48.245 ? 305 HOH   A O    1 ? ? 
HETATM 4061 O O    . HOH   F 3 .   ? -4.056  -22.68  -43.282 1   52.383 ? 306 HOH   A O    1 ? ? 
HETATM 4062 O O    . HOH   F 3 .   ? -14.481 -6.853  -17.216 1   38.585 ? 307 HOH   A O    1 ? ? 
HETATM 4063 O O    . HOH   F 3 .   ? -17.925 -15.057 -39.697 1   35.367 ? 308 HOH   A O    1 ? ? 
HETATM 4064 O O    . HOH   F 3 .   ? -30.008 -12.844 -28.822 1   34.012 ? 309 HOH   A O    1 ? ? 
HETATM 4065 O O    . HOH   F 3 .   ? -2.611  -8.294  -41.767 1   39.949 ? 310 HOH   A O    1 ? ? 
HETATM 4066 O O    . HOH   F 3 .   ? -24.413 -18.984 -37.387 1   30.787 ? 311 HOH   A O    1 ? ? 
HETATM 4067 O O    . HOH   F 3 .   ? -12.661 -5.692  -41.645 1   43.208 ? 312 HOH   A O    1 ? ? 
HETATM 4068 O O    . HOH   F 3 .   ? -28.575 -13.882 -30.979 1   41.354 ? 313 HOH   A O    1 ? ? 
HETATM 4069 O O    . HOH   F 3 .   ? -12.969 -2.564  -32.482 1   38.749 ? 314 HOH   A O    1 ? ? 
HETATM 4070 O O    . HOH   F 3 .   ? -15.192 -5.737  -24.089 1   38.881 ? 315 HOH   A O    1 ? ? 
HETATM 4071 O O    . HOH   F 3 .   ? -6.14   -19.668 -43.982 1   40.623 ? 316 HOH   A O    1 ? ? 
HETATM 4072 O O    . HOH   F 3 .   ? -12.327 -7.083  -20.856 1   22.845 ? 317 HOH   A O    1 ? ? 
HETATM 4073 O O    . HOH   F 3 .   ? -18.775 -25.595 -19.77  1   49.651 ? 318 HOH   A O    1 ? ? 
HETATM 4074 O O    . HOH   F 3 .   ? -3.002  -13.813 -14.104 1   30.571 ? 319 HOH   A O    1 ? ? 
HETATM 4075 O O    . HOH   F 3 .   ? -17.939 -18.734 -40.902 1   35.402 ? 320 HOH   A O    1 ? ? 
HETATM 4076 O O    . HOH   F 3 .   ? 0.334   -7.869  -21.552 1   18.38  ? 321 HOH   A O    1 ? ? 
HETATM 4077 O O    . HOH   F 3 .   ? 1.209   -21.906 -33.511 1   45.852 ? 322 HOH   A O    1 ? ? 
HETATM 4078 O O    . HOH   F 3 .   ? -16.736 -7.199  -33.825 1   29.247 ? 323 HOH   A O    1 ? ? 
HETATM 4079 O O    . HOH   F 3 .   ? -4.246  -5.849  -17.899 1   28.551 ? 324 HOH   A O    1 ? ? 
HETATM 4080 O O    . HOH   F 3 .   ? -6.703  -6.791  -19.562 1   26.145 ? 325 HOH   A O    1 ? ? 
HETATM 4081 O O    . HOH   F 3 .   ? -14.716 -12.698 -40.365 1   36.594 ? 326 HOH   A O    1 ? ? 
HETATM 4082 O O    . HOH   F 3 .   ? -17.581 -10.669 -22.233 1   21.867 ? 327 HOH   A O    1 ? ? 
HETATM 4083 O O    . HOH   F 3 .   ? -8.799  -25.073 -43.053 1   43.428 ? 328 HOH   A O    1 ? ? 
HETATM 4084 O O    . HOH   F 3 .   ? -1.383  -8.735  -23.363 1   19.759 ? 329 HOH   A O    1 ? ? 
HETATM 4085 O O    . HOH   F 3 .   ? -5.907  -27.388 -34.397 1   31.131 ? 330 HOH   A O    1 ? ? 
HETATM 4086 O O    . HOH   F 3 .   ? -11.976 -12.85  -41.102 1   39.364 ? 331 HOH   A O    1 ? ? 
HETATM 4087 O O    . HOH   F 3 .   ? 0.896   -2.86   -30.203 1   32.339 ? 332 HOH   A O    1 ? ? 
HETATM 4088 O O    . HOH   F 3 .   ? -2.265  -2.317  -18.629 1   46.628 ? 333 HOH   A O    1 ? ? 
HETATM 4089 O O    . HOH   F 3 .   ? -10.616 -14.703 -42.837 1   38.532 ? 334 HOH   A O    1 ? ? 
HETATM 4090 O O    . HOH   F 3 .   ? -8.607  -3.78   -24.345 1   27.729 ? 335 HOH   A O    1 ? ? 
HETATM 4091 O O    . HOH   F 3 .   ? 0.678   -7.857  -13.995 1   27.862 ? 336 HOH   A O    1 ? ? 
HETATM 4092 O O    . HOH   F 3 .   ? -14.65  -15.289 -17.947 1   36.898 ? 337 HOH   A O    1 ? ? 
HETATM 4093 O O    . HOH   F 3 .   ? -6.359  -20.211 -14.503 1   35.442 ? 338 HOH   A O    1 ? ? 
HETATM 4094 O O    . HOH   F 3 .   ? -5.144  -15.48  -13.969 1   33.542 ? 339 HOH   A O    1 ? ? 
HETATM 4095 O O    . HOH   F 3 .   ? -6.023  -0.74   -23.858 1   30.503 ? 340 HOH   A O    1 ? ? 
HETATM 4096 O O    . HOH   F 3 .   ? 3.632   -12.876 -36.484 1   47.265 ? 341 HOH   A O    1 ? ? 
HETATM 4097 O O    . HOH   F 3 .   ? 3.494   -22.454 -25.639 1   53.735 ? 342 HOH   A O    1 ? ? 
HETATM 4098 O O    . HOH   F 3 .   ? -8.698  -6.414  -22.971 1   18.254 ? 343 HOH   A O    1 ? ? 
HETATM 4099 O O    . HOH   F 3 .   ? -2.805  -8.045  -33.858 1   28.408 ? 344 HOH   A O    1 ? ? 
HETATM 4100 O O    . HOH   F 3 .   ? -0.906  -4.463  -34.149 1   45.646 ? 345 HOH   A O    1 ? ? 
HETATM 4101 O O    . HOH   F 3 .   ? 1.695   -7.908  -32.091 1   32.38  ? 346 HOH   A O    1 ? ? 
HETATM 4102 O O    . HOH   F 3 .   ? -13.323 -24.752 -20.501 1   41.835 ? 347 HOH   A O    1 ? ? 
HETATM 4103 O O    . HOH   F 3 .   ? 6.411   -8.274  -17.67  1   29.656 ? 348 HOH   A O    1 ? ? 
HETATM 4104 O O    . HOH   F 3 .   ? -1.908  -10.256 -12.105 1   25.066 ? 349 HOH   A O    1 ? ? 
HETATM 4105 O O    . HOH   F 3 .   ? -10.984 -0.408  -32.2   1   31.533 ? 350 HOH   A O    1 ? ? 
HETATM 4106 O O    . HOH   F 3 .   ? -19.393 -8.104  -28.554 1   34.895 ? 351 HOH   A O    1 ? ? 
HETATM 4107 O O    . HOH   F 3 .   ? 4.709   -15.904 -18.871 1   44.964 ? 352 HOH   A O    1 ? ? 
HETATM 4108 O O    . HOH   F 3 .   ? 4.505   -11.286 -26.998 1   35.645 ? 353 HOH   A O    1 ? ? 
HETATM 4109 O O    . HOH   F 3 .   ? -16.963 -22.012 -18.823 1   33.478 ? 354 HOH   A O    1 ? ? 
HETATM 4110 O O    . HOH   F 3 .   ? 0.315   -0.182  -16.579 1   48.494 ? 355 HOH   A O    1 ? ? 
HETATM 4111 O O    . HOH   F 3 .   ? -8.658  -23.608 -19.578 1   48.629 ? 356 HOH   A O    1 ? ? 
HETATM 4112 O O    . HOH   F 3 .   ? -13.786 -23.464 -44.567 1   46.826 ? 357 HOH   A O    1 ? ? 
HETATM 4113 O O    . HOH   F 3 .   ? -3.159  -1.971  -30.709 1   36.361 ? 358 HOH   A O    1 ? ? 
HETATM 4114 O O    . HOH   F 3 .   ? 4.42    -18.017 -36.651 1   42.366 ? 359 HOH   A O    1 ? ? 
HETATM 4115 O O    . HOH   F 3 .   ? -4.609  -4.348  -42.031 1   33.373 ? 360 HOH   A O    1 ? ? 
HETATM 4116 O O    . HOH   F 3 .   ? -3.128  -18.468 -39.547 1   39.266 ? 361 HOH   A O    1 ? ? 
HETATM 4117 O O    . HOH   F 3 .   ? -19.114 -4.35   -25.346 1   39.024 ? 362 HOH   A O    1 ? ? 
HETATM 4118 O O    . HOH   F 3 .   ? -1.081  -14.549 -13.034 1   30.583 ? 363 HOH   A O    1 ? ? 
HETATM 4119 O O    . HOH   F 3 .   ? -7.334  -28.907 -30.483 1   41.225 ? 364 HOH   A O    1 ? ? 
HETATM 4120 O O    . HOH   F 3 .   ? -28.554 -18.422 -32.034 1   58.581 ? 365 HOH   A O    1 ? ? 
HETATM 4121 O O    . HOH   F 3 .   ? -27.166 -20.585 -32.845 1   66.884 ? 366 HOH   A O    1 ? ? 
HETATM 4122 O O    . HOH   F 3 .   ? -1.824  -13.477 -10.585 1   24.503 ? 367 HOH   A O    1 ? ? 
HETATM 4123 O O    . HOH   F 3 .   ? -11.406 -17.762 -15.005 1   43.006 ? 368 HOH   A O    1 ? ? 
HETATM 4124 O O    . HOH   F 3 .   ? -14.993 -23.333 -18.287 1   44.427 ? 369 HOH   A O    1 ? ? 
HETATM 4125 O O    . HOH   F 3 .   ? -9.389  -25.102 -31.033 1   48.928 ? 370 HOH   A O    1 ? ? 
HETATM 4126 O O    . HOH   F 3 .   ? -11.245 -23.14  -20.319 1   43.652 ? 371 HOH   A O    1 ? ? 
HETATM 4127 O O    . HOH   F 3 .   ? 1.446   -5.279  -36.932 1   39.62  ? 372 HOH   A O    1 ? ? 
HETATM 4128 O O    . HOH   F 3 .   ? -4.775  0.461   -28.825 1   48.416 ? 373 HOH   A O    1 ? ? 
HETATM 4129 O O    . HOH   F 3 .   ? -15.386 -10.057 -39.877 1   42.743 ? 374 HOH   A O    1 ? ? 
HETATM 4130 O O    . HOH   F 3 .   ? -2.612  -3.25   -43.542 1   36.23  ? 375 HOH   A O    1 ? ? 
HETATM 4131 O O    . HOH   F 3 .   ? 4.636   -19.998 -34.724 1   44.917 ? 376 HOH   A O    1 ? ? 
HETATM 4132 O O    . HOH   F 3 .   ? 1.954   1.681   -22.610 1   44.812 ? 377 HOH   A O    1 ? ? 
HETATM 4133 O O    . HOH   F 3 .   ? -17.611 -5.555  -27.701 1   43.499 ? 378 HOH   A O    1 ? ? 
HETATM 4134 O O    . HOH   F 3 .   ? -13.347 -5.101  -22.361 1   38.125 ? 379 HOH   A O    1 ? ? 
HETATM 4135 O O    . HOH   F 3 .   ? -12.424 0.766   -30.476 1   45.541 ? 380 HOH   A O    1 ? ? 
HETATM 4136 O O    . HOH   F 3 .   ? -22.46  -13.435 -45.379 1   54.369 ? 381 HOH   A O    1 ? ? 
HETATM 4137 O O    . HOH   F 3 .   ? -0.108  -8.868  -33.985 1   42.194 ? 382 HOH   A O    1 ? ? 
HETATM 4138 O O    . HOH   F 3 .   ? -13.586 -16.67  -15.875 1   44.341 ? 383 HOH   A O    1 ? ? 
HETATM 4139 O O    . HOH   F 3 .   ? -3.603  -0.303  -22.286 1   33.224 ? 384 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   ? 0.292022 0.446681 0.572758  -0.0802792  -0.0614128  -0.109629   13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.294728 0.414534 0.566961  -0.0865723  -0.0498742  -0.0996954  13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.311595 0.411019 0.53058   -0.0718452  -0.047198   -0.0950683  13  GLY   B C    
4    O O    . GLY   A 1   ? 0.282975 0.391418 0.469513  -0.0578803  -0.0528783  -0.0984667  13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.29479  0.464037 0.612376  -0.0899817  -0.0626805  -0.113072   13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.282756 0.443824 0.547343  -0.0727797  -0.0552598  -0.0985577  13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.300157 0.455736 0.566002  -0.0734828  -0.0738104  -0.123774   13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.311509 0.423017 0.602408  -0.0941548  -0.0564808  -0.112238   13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.294815 0.412713 0.580007  -0.0929322  -0.0371338  -0.0836895  13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.302049 0.373547 0.514512  -0.0749518  -0.0377676  -0.0857204  14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.315505 0.369714 0.487667  -0.0633842  -0.0337996  -0.0814231  14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.272812 0.336484 0.415425  -0.0527346  -0.0280265  -0.0676081  14  ALA   B C    
13   O O    . ALA   A 2   ? 0.276918 0.335782 0.386647  -0.0419917  -0.0293322  -0.070652   14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.371208 0.398587 0.54975   -0.0681304  -0.0251531  -0.0707987  14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.314201 0.377718 0.549995  -0.0844861  -0.0338437  -0.0818352  14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.323663 0.376433 0.484025  -0.0586022  -0.0412313  -0.0958674  14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.365739 0.383808 0.558721  -0.0724217  -0.029628   -0.0817592  14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.352    0.379274 0.542868  -0.0734876  -0.0185978  -0.0574413  14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.349136 0.368617 0.505172  -0.0607694  -0.0220152  -0.0667084  14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.240853 0.313812 0.389963  -0.0542166  -0.0193329  -0.0511238  15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.261451 0.339356 0.380359  -0.0423011  -0.0156338  -0.0420025  15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.260689 0.354531 0.364598  -0.031828   -0.0257456  -0.0527706  15  PRO   B C    
23   O O    . PRO   A 3   ? 0.271302 0.356194 0.341893  -0.0212159  -0.0253806  -0.0504628  15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.270844 0.357622 0.401637  -0.0451292  -0.00486336 -0.0262959  15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.28281  0.355669 0.438591  -0.0583033  0.00091688  -0.0202037  15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.290194 0.363916 0.469446  -0.0657778  -0.00987963 -0.0384396  15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.25589  0.318536 0.35589   -0.0387632  -0.0127942  -0.0382114  15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.267877 0.374177 0.412667  -0.0450186  -0.00629279 -0.0289541  15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.26584  0.345859 0.375363  -0.0386869  -0.00024971 -0.0179985  15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.284714 0.365779 0.45556   -0.0629518  0.00849753  -0.0113923  15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.282746 0.337751 0.423768  -0.0562716  0.00345446  -0.0141812  15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.28069  0.371437 0.484129  -0.071176   -0.0120378  -0.0430994  15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.28567  0.342868 0.47335   -0.0714171  -0.00856733 -0.0375218  15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.244103 0.361149 0.373882  -0.0345094  -0.0348784  -0.0634052  16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.268645 0.401102 0.383833  -0.0223798  -0.0483522  -0.0746467  16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.274455 0.389905 0.357161  -0.0158886  -0.0557657  -0.0861788  16  ALA   B C    
37   O O    . ALA   A 4   ? 0.266197 0.379406 0.313972  -0.00194739 -0.0599563  -0.086115   16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.30334  0.467692 0.459554  -0.0267913  -0.0596646  -0.0865026  16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.25222  0.375807 0.410302  -0.043864   -0.033242   -0.0635817  16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.266755 0.399779 0.364296  -0.0137504  -0.0444878  -0.0658997  16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.285267 0.461544 0.460247  -0.0297231  -0.0520049  -0.0777801  16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.298445 0.46146  0.475285  -0.0364427  -0.0637242  -0.095718   16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.301992 0.476297 0.446095  -0.0166695  -0.0706234  -0.0940055  16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.244212 0.345844 0.335389  -0.0243827  -0.0560296  -0.0953962  17  THR   B N    
45   C CA   . THR   A 5   ? 0.262301 0.349272 0.321317  -0.0168808  -0.0597469  -0.106806   17  THR   B CA   
46   C C    . THR   A 5   ? 0.274733 0.343483 0.298011  -0.00936725 -0.0460002  -0.0915855  17  THR   B C    
47   O O    . THR   A 5   ? 0.291133 0.353282 0.278639  0.00144369  -0.0463448  -0.0940482  17  THR   B O    
48   C CB   . THR   A 5   ? 0.313018 0.386978 0.39023   -0.0262143  -0.0608287  -0.120361   17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.313782 0.404074 0.427481  -0.0344522  -0.0748806  -0.135907   17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.321648 0.381566 0.364484  -0.0169817  -0.0614876  -0.133296   17  THR   B CG2  
51   H H    . THR   A 5   ? 0.24757  0.348155 0.364365  -0.0343731  -0.0530319  -0.0944179  17  THR   B H    
52   H HA   . THR   A 5   ? 0.286105 0.383011 0.333826  -0.00949881 -0.0703432  -0.115918   17  THR   B HA   
53   H HB   . THR   A 5   ? 0.289361 0.353322 0.378939  -0.0327139  -0.0515683  -0.110644   17  THR   B HB   
55   H HG21 . THR   A 5   ? 0.334939 0.390227 0.39208   -0.021559   -0.0659321  -0.14645    17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.338907 0.405981 0.359444  -0.00794167 -0.0684859  -0.138402   17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.319429 0.367672 0.348331  -0.0149769  -0.0502002  -0.123571   17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.232651 0.292776 0.265747  -0.015175   -0.0343745  -0.0766408  18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.244238 0.288596 0.250495  -0.00971457 -0.0234554  -0.0648418  18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.249985 0.298791 0.232281  0.00100823  -0.0244162  -0.0567265  18  VAL   B C    
61   O O    . VAL   A 6   ? 0.246409 0.283041 0.198576  0.00863877  -0.0197407  -0.0527382  18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.245874 0.280079 0.265792  -0.0163548  -0.0143487  -0.0524556  18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.24814  0.269059 0.245527  -0.0114162  -0.00624535 -0.0445642  18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.281616 0.307703 0.324788  -0.0246963  -0.0139506  -0.0584397  18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.233384 0.296851 0.28978   -0.0225504  -0.0332046  -0.0736347  18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.255155 0.291621 0.248293  -0.00734967 -0.0217362  -0.0707326  18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.241858 0.283384 0.270753  -0.0177079  -0.0145144  -0.046008   18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.257729 0.274751 0.241679  -0.00818489 -0.00480271 -0.0498891  18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.24621  0.268936 0.233866  -0.0074083  -0.0059318  -0.0381047  18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.241098 0.255201 0.24785   -0.0151819  -0.00270342 -0.0408439  18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.262953 0.282267 0.312204  -0.0271193  -0.009657   -0.0498457  18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.271606 0.304544 0.331986  -0.0292894  -0.0188648  -0.0634287  18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.278137 0.298362 0.313187  -0.0223985  -0.0131317  -0.0660893  18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.22812  0.29311  0.224405  0.00224795  -0.0289293  -0.0532682  19  THR   B N    
75   C CA   . THR   A 7   ? 0.238537 0.308502 0.21487   0.0150893   -0.0321947  -0.0478907  19  THR   B CA   
76   C C    . THR   A 7   ? 0.258081 0.32575  0.204651  0.0262945   -0.0409211  -0.055643   19  THR   B C    
77   O O    . THR   A 7   ? 0.29136  0.34397  0.204961  0.0364761   -0.0372183  -0.0474605  19  THR   B O    
78   C CB   . THR   A 7   ? 0.240369 0.335516 0.241843  0.0168957   -0.0376309  -0.0477564  19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.23316  0.326832 0.252902  0.00820846  -0.0266253  -0.038325   19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.264469 0.365499 0.246825  0.0334346   -0.0437988  -0.0448626  19  THR   B CG2  
81   H H    . THR   A 7   ? 0.22368  0.296781 0.243606  -0.00458678 -0.029316   -0.0538366  19  THR   B H    
82   H HA   . THR   A 7   ? 0.236434 0.293683 0.20005   0.0169821   -0.0248883  -0.0389882  19  THR   B HA   
83   H HB   . THR   A 7   ? 0.244041 0.352783 0.263906  0.0129496   -0.0451014  -0.0573548  19  THR   B HB   
85   H HG21 . THR   A 7   ? 0.253381 0.367962 0.252449  0.0345514   -0.0426064  -0.0421399  19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.26723  0.349942 0.225231  0.038303    -0.0386276  -0.0378666  19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.273355 0.382484 0.251411  0.0387316   -0.0542298  -0.0529022  19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.257531 0.337216 0.21223   0.0252935   -0.0524745  -0.0710407  20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.294221 0.374383 0.216228  0.038996    -0.0640492  -0.0796185  20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.319728 0.37524  0.204747  0.0414973   -0.0529164  -0.0781141  20  GLU   B C    
91   O O    . GLU   A 8   ? 0.339866 0.386603 0.183522  0.0553934   -0.0551739  -0.076133   20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.337252 0.439349 0.282506  0.0366065   -0.0825179  -0.100709   20  GLU   B CB   
93   C CG   . GLU   A 8   ? 0.381494 0.513298 0.36531   0.035938    -0.0934068  -0.102571   20  GLU   B CG   
94   C CD   . GLU   A 8   ? 0.473694 0.631931 0.491375  0.0318772   -0.113728   -0.124706   20  GLU   B CD   
95   O OE1  . GLU   A 8   ? 0.544605 0.698915 0.542332  0.0365723   -0.126864   -0.142366   20  GLU   B OE1  
96   O OE2  . GLU   A 8   ? 0.448012 0.633014 0.513953  0.0245675   -0.116585   -0.125166   20  GLU   B OE2  
97   H H    . GLU   A 8   ? 0.252222 0.339083 0.23253   0.0162435   -0.0539403  -0.0768856  20  GLU   B H    
98   H HA   . GLU   A 8   ? 0.307281 0.389439 0.216229  0.0489398   -0.0671547  -0.0729944  20  GLU   B HA   
99   H HB2  . GLU   A 8   ? 0.331634 0.430525 0.294451  0.0260016   -0.0791675  -0.106791   20  GLU   B HB2  
100  H HB3  . GLU   A 8   ? 0.36467  0.464718 0.283108  0.0464375   -0.0907592  -0.107905   20  GLU   B HB3  
101  H HG2  . GLU   A 8   ? 0.390952 0.524924 0.357499  0.0478793   -0.0965286  -0.0962963  20  GLU   B HG2  
102  H HG3  . GLU   A 8   ? 0.360523 0.493202 0.36707   0.0267607   -0.0833389  -0.0945236  20  GLU   B HG3  
103  N N    . GLN   A 9   ? 0.287759 0.33468  0.187946  0.029624    -0.0427905  -0.0817916  21  GLN   B N    
104  C CA   . GLN   A 9   ? 0.324946 0.356821 0.199562  0.0318761   -0.0338441  -0.0872491  21  GLN   B CA   
105  C C    . GLN   A 9   ? 0.300057 0.315259 0.176855  0.0251722   -0.0136218  -0.0750024  21  GLN   B C    
106  O O    . GLN   A 9   ? 0.352422 0.35666  0.208633  0.0278564   -0.00198835 -0.0770246  21  GLN   B O    
107  C CB   . GLN   A 9   ? 0.328218 0.365939 0.219743  0.0268262   -0.0419405  -0.108794   21  GLN   B CB   
108  C CG   . GLN   A 9   ? 0.368764 0.424915 0.267007  0.030858    -0.0647551  -0.126723   21  GLN   B CG   
109  C CD   . GLN   A 9   ? 0.377521 0.434607 0.29636   0.0240081   -0.072357   -0.149612   21  GLN   B CD   
110  O OE1  . GLN   A 9   ? 0.405096 0.447715 0.324105  0.0202761   -0.0604953  -0.153401   21  GLN   B OE1  
111  N NE2  . GLN   A 9   ? 0.39565  0.469785 0.331446  0.0239529   -0.0934472  -0.16728    21  GLN   B NE2  
112  H H    . GLN   A 9   ? 0.275668 0.326764 0.203564  0.0206001   -0.0411376  -0.0808117  21  GLN   B H    
113  H HA   . GLN   A 9   ? 0.343962 0.371882 0.186233  0.042579    -0.0356004  -0.0862409  21  GLN   B HA   
114  H HB2  . GLN   A 9   ? 0.313389 0.351053 0.234535  0.0166916   -0.0385583  -0.108048   21  GLN   B HB2  
115  H HB3  . GLN   A 9   ? 0.352505 0.380715 0.222996  0.0307184   -0.034984   -0.112916   21  GLN   B HB3  
116  H HG2  . GLN   A 9   ? 0.387222 0.443087 0.253092  0.0427192   -0.0699846  -0.128081   21  GLN   B HG2  
117  H HG3  . GLN   A 9   ? 0.345161 0.413225 0.267338  0.0268639   -0.0702293  -0.12255    21  GLN   B HG3  
118  H HE21 . GLN   A 9   ? 0.397557 0.471955 0.351994  0.0180889   -0.0990919  -0.181252   21  GLN   B HE21 
119  H HE22 . GLN   A 9   ? 0.397632 0.483229 0.328233  0.029828    -0.10269    -0.16594    21  GLN   B HE22 
120  N N    . GLY   A 10  ? 0.284079 0.299209 0.186182  0.0172244   -0.00974161 -0.0641418  22  GLY   B N    
121  C CA   . GLY   A 10  ? 0.286021 0.288491 0.196088  0.0107698   0.00514765  -0.0556045  22  GLY   B CA   
122  C C    . GLY   A 10  ? 0.278679 0.266312 0.160715  0.0159035   0.0174761   -0.0431358  22  GLY   B C    
123  O O    . GLY   A 10  ? 0.290088 0.274007 0.150623  0.023817    0.0141004   -0.0351772  22  GLY   B O    
124  H H    . GLY   A 10  ? 0.272804 0.296676 0.187882  0.0161912   -0.0165034  -0.0624254  22  GLY   B H    
125  H HA2  . GLY   A 10  ? 0.27899  0.280224 0.196145  0.00797705  0.00851297  -0.0632507  22  GLY   B HA2  
126  H HA3  . GLY   A 10  ? 0.257972 0.262688 0.187772  0.0055066   0.0038041   -0.050831   22  GLY   B HA3  
127  N N    . GLU   A 11  ? 0.274523 0.254105 0.164576  0.0103057   0.0314736   -0.041124   23  GLU   B N    
128  C CA   . GLU   A 11  ? 0.291605 0.256476 0.167732  0.0102814   0.046504    -0.0288319  23  GLU   B CA   
129  C C    . GLU   A 11  ? 0.267531 0.227794 0.162786  0.00464522  0.0442741   -0.0198167  23  GLU   B C    
130  O O    . GLU   A 11  ? 0.264579 0.231964 0.188555  -0.00172066 0.0387043   -0.0232532  23  GLU   B O    
131  C CB   . GLU   A 11  ? 0.318812 0.283456 0.205883  0.00566719  0.0622927   -0.0340419  23  GLU   B CB   
132  C CG   . GLU   A 11  ? 0.368124 0.320373 0.250663  0.0023266   0.0816526   -0.022355   23  GLU   B CG   
133  C CD   . GLU   A 11  ? 0.501494 0.459419 0.403617  -0.00240178 0.0988597   -0.0283267  23  GLU   B CD   
134  O OE1  . GLU   A 11  ? 0.506242 0.475277 0.420434  -0.00078989 0.0960333   -0.0424762  23  GLU   B OE1  
135  O OE2  . GLU   A 11  ? 0.482464 0.433296 0.391967  -0.00814993 0.115799    -0.0188201  23  GLU   B OE2  
136  H H    . GLU   A 11  ? 0.267462 0.251007 0.175389  0.00597295  0.0319182   -0.0478621  23  GLU   B H    
137  H HA   . GLU   A 11  ? 0.315824 0.274477 0.164136  0.0175574   0.0475345   -0.0244234  23  GLU   B HA   
138  H HB2  . GLU   A 11  ? 0.337249 0.304518 0.209237  0.0106444   0.0631706   -0.0415249  23  GLU   B HB2  
139  H HB3  . GLU   A 11  ? 0.30091  0.271693 0.215408  0.00016674  0.0590229   -0.0387092  23  GLU   B HB3  
140  H HG2  . GLU   A 11  ? 0.369647 0.318295 0.266854  -0.00243093 0.0790484   -0.0165923  23  GLU   B HG2  
141  H HG3  . GLU   A 11  ? 0.408129 0.351473 0.260742  0.0083372   0.0862529   -0.0160895  23  GLU   B HG3  
142  N N    . ASP   A 12  ? 0.286928 0.232007 0.163255  0.00799346  0.0491915   -0.0081611  24  ASP   B N    
143  C CA   . ASP   A 12  ? 0.258283 0.195067 0.149343  0.00364017  0.0473178   -0.00184519 24  ASP   B CA   
144  C C    . ASP   A 12  ? 0.284068 0.214713 0.197165  -0.00681455 0.0599878   -0.00083099 24  ASP   B C    
145  O O    . ASP   A 12  ? 0.316929 0.235917 0.219262  -0.00826005 0.0753664   0.00549437  24  ASP   B O    
146  C CB   . ASP   A 12  ? 0.307231 0.227294 0.171166  0.0122987   0.0467177   0.00848952  24  ASP   B CB   
147  C CG   . ASP   A 12  ? 0.28911  0.198351 0.164422  0.0102445   0.0428144   0.012097    24  ASP   B CG   
148  O OD1  . ASP   A 12  ? 0.292001 0.207228 0.195319  0.00127209  0.0406781   0.00665507  24  ASP   B OD1  
149  O OD2  . ASP   A 12  ? 0.309698 0.203957 0.165926  0.0184946   0.0409962   0.0191156   24  ASP   B OD2  
150  H H    . ASP   A 12  ? 0.304767 0.242945 0.157211  0.0137438   0.0533843   -0.00442912 24  ASP   B H    
151  H HA   . ASP   A 12  ? 0.252466 0.198452 0.157598  0.00248825  0.038256    -0.00567521 24  ASP   B HA   
152  H HB2  . ASP   A 12  ? 0.30024  0.227284 0.152188  0.0199433   0.0384527   0.00687135  24  ASP   B HB2  
153  H HB3  . ASP   A 12  ? 0.320564 0.228767 0.169499  0.0130449   0.0570056   0.0142901   24  ASP   B HB3  
154  N N    . ILE   A 13  ? 0.275538 0.215849 0.22041   -0.0135173  0.0537557   -0.00711003 25  ILE   B N    
155  C CA   . ILE   A 13  ? 0.286925 0.227719 0.260337  -0.0225303  0.0621063   -0.00916735 25  ILE   B CA   
156  C C    . ILE   A 13  ? 0.292996 0.223224 0.279675  -0.0271522  0.0565897   -0.00665795 25  ILE   B C    
157  O O    . ILE   A 13  ? 0.292957 0.227177 0.3113    -0.0350033  0.0574466   -0.0111181  25  ILE   B O    
158  C CB   . ILE   A 13  ? 0.286034 0.243519 0.285891  -0.0246625  0.0581447   -0.0189685  25  ILE   B CB   
159  C CG1  . ILE   A 13  ? 0.247391 0.210522 0.255786  -0.0228125  0.0399852   -0.0213106  25  ILE   B CG1  
160  C CG2  . ILE   A 13  ? 0.298327 0.263225 0.287217  -0.020464   0.0651547   -0.0249201  25  ILE   B CG2  
161  C CD1  . ILE   A 13  ? 0.274907 0.24844  0.313263  -0.024992   0.0363435   -0.0284411  25  ILE   B CD1  
162  H H    . ILE   A 13  ? 0.260772 0.207893 0.209891  -0.011936   0.0439804   -0.00983562 25  ILE   B H    
163  H HA   . ILE   A 13  ? 0.304695 0.240746 0.271409  -0.0236414  0.0749034   -0.00607744 25  ILE   B HA   
164  H HB   . ILE   A 13  ? 0.279128 0.238686 0.300677  -0.0297887  0.0629398   -0.0206583  25  ILE   B HB   
165  H HG12 . ILE   A 13  ? 0.258859 0.223776 0.252708  -0.0188369  0.0361055   -0.0208958  25  ILE   B HG12 
166  H HG13 . ILE   A 13  ? 0.259168 0.216774 0.268042  -0.0235271  0.0351729   -0.0185492  25  ILE   B HG13 
167  H HG21 . ILE   A 13  ? 0.289846 0.262489 0.299581  -0.0223571  0.0661557   -0.0310914  25  ILE   B HG21 
168  H HG22 . ILE   A 13  ? 0.294159 0.260839 0.270348  -0.0163302  0.0569022   -0.0262903  25  ILE   B HG22 
169  H HG23 . ILE   A 13  ? 0.315221 0.274878 0.289115  -0.0194863  0.0766535   -0.0216631  25  ILE   B HG23 
170  H HD11 . ILE   A 13  ? 0.263785 0.238834 0.319456  -0.0285171  0.0411454   -0.0301751  25  ILE   B HD11 
171  H HD12 . ILE   A 13  ? 0.253819 0.227976 0.29616   -0.0238987  0.0260535   -0.0276502  25  ILE   B HD12 
172  H HD13 . ILE   A 13  ? 0.263122 0.240857 0.299933  -0.0232853  0.0392371   -0.0323201  25  ILE   B HD13 
173  N N    . THR   A 14  ? 0.277518 0.195287 0.243358  -0.0217425  0.0499985   -0.00171045 26  THR   B N    
174  C CA   . THR   A 14  ? 0.296832 0.200909 0.271529  -0.024739   0.0442242   -0.00190265 26  THR   B CA   
175  C C    . THR   A 14  ? 0.365421 0.249448 0.342296  -0.0314327  0.0587203   0.00477776  26  THR   B C    
176  O O    . THR   A 14  ? 0.354596 0.228917 0.308175  -0.0284208  0.0722038   0.0143297   26  THR   B O    
177  C CB   . THR   A 14  ? 0.291408 0.188694 0.243973  -0.0147318  0.0326474   -0.00068139 26  THR   B CB   
178  O OG1  . THR   A 14  ? 0.303191 0.189136 0.227056  -0.00664324 0.0381963   0.00766534  26  THR   B OG1  
179  C CG2  . THR   A 14  ? 0.261804 0.178135 0.215138  -0.00991841 0.0214657   -0.00515552 26  THR   B CG2  
180  H H    . THR   A 14  ? 0.289089 0.206924 0.235244  -0.0152897  0.0482292   0.00071296  26  THR   B H    
181  H HA   . THR   A 14  ? 0.288984 0.200863 0.285013  -0.0289044  0.0384514   -0.0079328  26  THR   B HA   
182  H HB   . THR   A 14  ? 0.296853 0.184051 0.25566   -0.0165675  0.0285858   -0.00297202 26  THR   B HB   
184  H HG21 . THR   A 14  ? 0.267112 0.181057 0.207476  -0.00335896 0.0166674   -0.00412146 26  THR   B HG21 
185  H HG22 . THR   A 14  ? 0.257981 0.184028 0.209418  -0.00933982 0.0242639   -0.00466399 26  THR   B HG22 
186  H HG23 . THR   A 14  ? 0.25611  0.176857 0.225208  -0.0136362  0.01653     -0.0095721  26  THR   B HG23 
187  N N    . SER   A 15  ? 0.331427 0.207734 0.335234  -0.040222   0.0554437   -3.602e-05  27  SER   B N    
188  C CA   . SER   A 15  ? 0.367052 0.22104  0.379683  -0.0491481  0.068711    0.00619692  27  SER   B CA   
189  C C    . SER   A 15  ? 0.380361 0.205628 0.357742  -0.040422   0.0692765   0.0160176   27  SER   B C    
190  O O    . SER   A 15  ? 0.396662 0.200665 0.363515  -0.0430099  0.0849665   0.0279663   27  SER   B O    
191  C CB   . SER   A 15  ? 0.380516 0.233658 0.435014  -0.0608573  0.060473    -0.00487073 27  SER   B CB   
192  O OG   . SER   A 15  ? 0.397305 0.278461 0.485427  -0.0664906  0.0597908   -0.0130658  27  SER   B OG   
193  H H    . SER   A 15  ? 0.328292 0.212841 0.345654  -0.0407464  0.0442657   -0.00750988 27  SER   B H    
194  H HA   . SER   A 15  ? 0.372312 0.229659 0.387924  -0.0531312  0.083539    0.0112935   27  SER   B HA   
195  H HB2  . SER   A 15  ? 0.382522 0.232012 0.431119  -0.055952   0.045606    -0.0109548  27  SER   B HB2  
196  H HB3  . SER   A 15  ? 0.406436 0.244037 0.47058   -0.068469   0.0703048   -0.00065962 27  SER   B HB3  
198  N N    . LYS   A 16  ? 0.367274 0.190865 0.327974  -0.0294005  0.0524291   0.0110812   28  LYS   B N    
199  C CA   . LYS   A 16  ? 0.412906 0.211792 0.343758  -0.0180859  0.0503946   0.0179467   28  LYS   B CA   
200  C C    . LYS   A 16  ? 0.391331 0.194444 0.287469  -0.0052131  0.0549204   0.0284257   28  LYS   B C    
201  O O    . LYS   A 16  ? 0.411688 0.194358 0.282636  0.00584677  0.0543979   0.0362236   28  LYS   B O    
202  C CB   . LYS   A 16  ? 0.438813 0.2391   0.365745  -0.0090918  0.0321446   0.00699806  28  LYS   B CB   
203  C CG   . LYS   A 16  ? 0.563485 0.345026 0.510179  -0.0156843  0.0239586   -0.00377586 28  LYS   B CG   
204  C CD   . LYS   A 16  ? 0.677296 0.457167 0.605015  -0.00087238 0.00909034  -0.0125411  28  LYS   B CD   
205  C CE   . LYS   A 16  ? 0.790622 0.547508 0.7266    -0.00193238 -0.00141802 -0.0254467  28  LYS   B CE   
206  N NZ   . LYS   A 16  ? 0.852588 0.630602 0.803722  -0.00543954 -0.0150044  -0.0395434  28  LYS   B NZ   
207  H H    . LYS   A 16  ? 0.354671 0.193282 0.323135  -0.0281253  0.0422868   0.00327963  28  LYS   B H    
208  H HA   . LYS   A 16  ? 0.43257  0.209601 0.36802   -0.0235914  0.0577419   0.0225819   28  LYS   B HA   
209  H HB2  . LYS   A 16  ? 0.427471 0.24946  0.358746  -0.00797643 0.0261078   0.00177655  28  LYS   B HB2  
210  H HB3  . LYS   A 16  ? 0.462082 0.254888 0.3672    0.00184564  0.0307496   0.0113685   28  LYS   B HB3  
211  H HG2  . LYS   A 16  ? 0.579209 0.337783 0.527405  -0.0197035  0.0312289   0.00145757  28  LYS   B HG2  
212  H HG3  . LYS   A 16  ? 0.542211 0.336114 0.511861  -0.0244725  0.0209936   -0.0106555  28  LYS   B HG3  
213  H HD2  . LYS   A 16  ? 0.647909 0.449706 0.575671  0.00161327  0.00346672  -0.0165756  28  LYS   B HD2  
214  H HD3  . LYS   A 16  ? 0.672805 0.446357 0.580211  0.00898797  0.0120821   -0.00565303 28  LYS   B HD3  
215  H HE2  . LYS   A 16  ? 0.797755 0.544297 0.715099  0.00973629  -0.00523084 -0.026952   28  LYS   B HE2  
216  H HE3  . LYS   A 16  ? 0.801092 0.539861 0.751503  -0.0114323  0.0039444   -0.0237243  28  LYS   B HE3  
217  H HZ1  . LYS   A 16  ? 0.813462 0.604397 0.749352  0.00373482  -0.0192631  -0.040555   28  LYS   B HZ1  
218  H HZ2  . LYS   A 16  ? 0.809958 0.600664 0.778425  -0.0143132  -0.0117852  -0.037856   28  LYS   B HZ2  
219  H HZ3  . LYS   A 16  ? 0.841111 0.606211 0.799651  -0.00733705 -0.0228263  -0.0493472  28  LYS   B HZ3  
220  N N    . LYS   A 17  ? 0.374295 0.202129 0.269218  -0.00535258 0.0576516   0.0275018   29  LYS   B N    
221  C CA   . LYS   A 17  ? 0.37319  0.209562 0.237982  0.00724074  0.0568537   0.0326356   29  LYS   B CA   
222  C C    . LYS   A 17  ? 0.380872 0.220801 0.230874  0.0218804   0.0421362   0.0305028   29  LYS   B C    
223  O O    . LYS   A 17  ? 0.401001 0.22921  0.224338  0.0348584   0.0409506   0.0383198   29  LYS   B O    
224  C CB   . LYS   A 17  ? 0.437279 0.251109 0.275777  0.00971227  0.0726231   0.047252    29  LYS   B CB   
225  C CG   . LYS   A 17  ? 0.507752 0.325214 0.359485  -0.00300878 0.0908652   0.0492879   29  LYS   B CG   
226  C CD   . LYS   A 17  ? 0.54022  0.386943 0.392779  -0.00205254 0.0903316   0.0407161   29  LYS   B CD   
227  C CE   . LYS   A 17  ? 0.655602 0.500025 0.505679  -0.00833622 0.112648    0.04622     29  LYS   B CE   
228  N NZ   . LYS   A 17  ? 0.630224 0.502175 0.51294   -0.0157799  0.111169    0.0320884   29  LYS   B NZ   
229  H H    . LYS   A 17  ? 0.357659 0.198086 0.272653  -0.0132608  0.0589265   0.0221963   29  LYS   B H    
230  H HA   . LYS   A 17  ? 0.362488 0.218438 0.234724  0.00474331  0.0562661   0.0275409   29  LYS   B HA   
231  H HB2  . LYS   A 17  ? 0.465467 0.256455 0.299535  0.0105156   0.0747379   0.0533275   29  LYS   B HB2  
232  H HB3  . LYS   A 17  ? 0.452201 0.270634 0.267522  0.0202586   0.0690987   0.0498333   29  LYS   B HB3  
233  H HG2  . LYS   A 17  ? 0.490921 0.308139 0.370772  -0.0136045  0.0924554   0.044992    29  LYS   B HG2  
234  H HG3  . LYS   A 17  ? 0.533533 0.332626 0.36666   -0.0015096  0.102827    0.0605988   29  LYS   B HG3  
235  H HD2  . LYS   A 17  ? 0.548365 0.399759 0.378632  0.00844665  0.0828001   0.0406918   29  LYS   B HD2  
236  H HD3  . LYS   A 17  ? 0.519555 0.381685 0.39681   -0.00713896 0.0828589   0.0311412   29  LYS   B HD3  
237  H HE2  . LYS   A 17  ? 0.647414 0.476667 0.506884  -0.0157483  0.123885    0.0531485   29  LYS   B HE2  
238  H HE3  . LYS   A 17  ? 0.654178 0.495281 0.473448  0.00037505  0.116373    0.0511827   29  LYS   B HE3  
239  H HZ1  . LYS   A 17  ? 0.609822 0.484563 0.51975   -0.0230362  0.107292    0.0279496   29  LYS   B HZ1  
240  H HZ2  . LYS   A 17  ? 0.612114 0.49618  0.48863   -0.0100278  0.100581    0.0257269   29  LYS   B HZ2  
241  H HZ3  . LYS   A 17  ? 0.638799 0.512859 0.521544  -0.0185237  0.124941    0.0335106   29  LYS   B HZ3  
242  N N    . ASP   A 18  ? 0.344625 0.201561 0.212465  0.0205619   0.0316975   0.0203266   30  ASP   B N    
243  C CA   . ASP   A 18  ? 0.362293 0.227488 0.222348  0.0332528   0.0207546   0.0170673   30  ASP   B CA   
244  C C    . ASP   A 18  ? 0.312249 0.210211 0.179508  0.0346417   0.0151473   0.0120439   30  ASP   B C    
245  O O    . ASP   A 18  ? 0.294927 0.207239 0.165253  0.0417098   0.00833525  0.00823598  30  ASP   B O    
246  C CB   . ASP   A 18  ? 0.353373 0.210217 0.223932  0.0321227   0.0150011   0.00987963  30  ASP   B CB   
247  C CG   . ASP   A 18  ? 0.356683 0.22609  0.249648  0.0205945   0.0119809   0.00192456  30  ASP   B CG   
248  O OD1  . ASP   A 18  ? 0.306797 0.196171 0.210172  0.0146478   0.0135576   0.00151162  30  ASP   B OD1  
249  O OD2  . ASP   A 18  ? 0.333793 0.191276 0.233333  0.0186511   0.00655083  -0.00484911 30  ASP   B OD2  
250  H H    . ASP   A 18  ? 0.337425 0.201707 0.222865  0.0120346   0.0320306   0.0155545   30  ASP   B H    
251  H HA   . ASP   A 18  ? 0.371056 0.225504 0.214377  0.0425377   0.020735    0.0224318   30  ASP   B HA   
252  H HB2  . ASP   A 18  ? 0.35933  0.222702 0.223587  0.041595    0.00983084  0.00779299  30  ASP   B HB2  
253  H HB3  . ASP   A 18  ? 0.380585 0.214964 0.248242  0.0311691   0.0176681   0.0120777   30  ASP   B HB3  
254  N N    . ARG   A 19  ? 0.301352 0.210407 0.173311  0.0277413   0.0191299   0.0114254   31  ARG   B N    
255  C CA   . ARG   A 19  ? 0.302622 0.238798 0.185031  0.0266389   0.0140939   0.00562259  31  ARG   B CA   
256  C C    . ARG   A 19  ? 0.280127 0.228826 0.18337   0.0211676   0.0100154   0.00099527  31  ARG   B C    
257  O O    . ARG   A 19  ? 0.287592 0.256228 0.201127  0.0211185   0.00604131  -0.0018436  31  ARG   B O    
258  C CB   . ARG   A 19  ? 0.296061 0.246566 0.166931  0.038418    0.00684739  0.00508781  31  ARG   B CB   
259  C CG   . ARG   A 19  ? 0.340915 0.279974 0.186317  0.0442253   0.00979798  0.00946145  31  ARG   B CG   
260  C CD   . ARG   A 19  ? 0.352689 0.303743 0.182879  0.0593383   -0.00125447 0.0085215   31  ARG   B CD   
261  N NE   . ARG   A 19  ? 0.332411 0.31482  0.188476  0.055728    -0.00992041 -0.00202778 31  ARG   B NE   
262  C CZ   . ARG   A 19  ? 0.346109 0.341922 0.206872  0.0510401   -0.0133458  -0.0104875  31  ARG   B CZ   
263  N NH1  . ARG   A 19  ? 0.346849 0.329996 0.186721  0.0504333   -0.0078266  -0.0102383  31  ARG   B NH1  
264  N NH2  . ARG   A 19  ? 0.358353 0.380721 0.246416  0.0471901   -0.0217974  -0.0198871  31  ARG   B NH2  
265  H H    . ARG   A 19  ? 0.316564 0.215208 0.186043  0.0232323   0.0260371   0.0143611   31  ARG   B H    
266  H HA   . ARG   A 19  ? 0.294806 0.23218  0.179633  0.0211683   0.0184034   0.00447517  31  ARG   B HA   
267  H HB2  . ARG   A 19  ? 0.307106 0.256572 0.174735  0.0458151   0.0035663   0.00656468  31  ARG   B HB2  
268  H HB3  . ARG   A 19  ? 0.288701 0.256851 0.172313  0.0354104   0.0033837   0.00010442  31  ARG   B HB3  
269  H HG2  . ARG   A 19  ? 0.332593 0.275168 0.180866  0.0379469   0.0135151   0.00652775  31  ARG   B HG2  
270  H HG3  . ARG   A 19  ? 0.351825 0.270756 0.186475  0.0450551   0.0155448   0.0159217   31  ARG   B HG3  
271  H HD2  . ARG   A 19  ? 0.374347 0.319234 0.185313  0.0631951   -0.00024479 0.0104654   31  ARG   B HD2  
272  H HD3  . ARG   A 19  ? 0.363544 0.308065 0.187854  0.067702    -0.00381989 0.0124597   31  ARG   B HD3  
273  H HE   . ARG   A 19  ? 0.324404 0.316    0.193547  0.0565404   -0.0123077  -0.00298016 31  ARG   B HE   
274  H HH11 . ARG   A 19  ? 0.349561 0.322382 0.190702  0.0436565   0.00108753  -0.00785542 31  ARG   B HH11 
275  H HH12 . ARG   A 19  ? 0.368766 0.354437 0.19313   0.057314    -0.0128569  -0.0127499  31  ARG   B HH12 
276  H HH21 . ARG   A 19  ? 0.338206 0.370447 0.239797  0.0482454   -0.0237693  -0.019257   31  ARG   B HH21 
277  H HH22 . ARG   A 19  ? 0.347324 0.376586 0.240305  0.0434284   -0.0246145  -0.0267411  31  ARG   B HH22 
278  N N    . GLY   A 20  ? 0.288976 0.225562 0.1995    0.0159665   0.0107228   0.00020053  32  GLY   B N    
279  C CA   . GLY   A 20  ? 0.261318 0.206117 0.182616  0.014252    0.00560003  -0.00280859 32  GLY   B CA   
280  C C    . GLY   A 20  ? 0.249436 0.2065   0.189138  0.00580987  0.00519067  -0.00475582 32  GLY   B C    
281  O O    . GLY   A 20  ? 0.228009 0.193416 0.1736    0.00571461  0.00156856  -0.00427242 32  GLY   B O    
282  H H    . GLY   A 20  ? 0.29287  0.215671 0.201304  0.0135646   0.0142498   0.00156547  32  GLY   B H    
283  H HA2  . GLY   A 20  ? 0.266926 0.219671 0.183423  0.0203255   0.00373327  -0.00214179 32  GLY   B HA2  
284  H HA3  . GLY   A 20  ? 0.272756 0.206187 0.193701  0.0135575   0.00401724  -0.0043442  32  GLY   B HA3  
285  N N    . VAL   A 21  ? 0.24704  0.20274  0.194294  -0.00017975 0.00998895  -0.00632494 33  VAL   B N    
286  C CA   . VAL   A 21  ? 0.227112 0.19143  0.19287   -0.00659951 0.0103921   -0.00982604 33  VAL   B CA   
287  C C    . VAL   A 21  ? 0.24923  0.217423 0.21022   -0.00683181 0.0162615   -0.0124145  33  VAL   B C    
288  O O    . VAL   A 21  ? 0.230489 0.189496 0.182976  -0.00723107 0.0243463   -0.0112665  33  VAL   B O    
289  C CB   . VAL   A 21  ? 0.238396 0.197996 0.222877  -0.0123649  0.00984236  -0.0127328  33  VAL   B CB   
290  C CG1  . VAL   A 21  ? 0.247245 0.215894 0.251155  -0.0156705  0.00896711  -0.0163549  33  VAL   B CG1  
291  C CG2  . VAL   A 21  ? 0.249282 0.20299  0.233376  -0.0103518  0.00095424  -0.0126618  33  VAL   B CG2  
292  H H    . VAL   A 21  ? 0.255051 0.202806 0.19458   0.00053861  0.014137    -0.00498889 33  VAL   B H    
293  H HA   . VAL   A 21  ? 0.227887 0.199553 0.197497  -0.00598601 0.00662875  -0.00928138 33  VAL   B HA   
294  H HB   . VAL   A 21  ? 0.247091 0.201082 0.232068  -0.014648   0.0158652   -0.0131607  33  VAL   B HB   
295  H HG11 . VAL   A 21  ? 0.237508 0.210493 0.239534  -0.0141651  0.00553906  -0.0147223  33  VAL   B HG11 
296  H HG12 . VAL   A 21  ? 0.243194 0.213572 0.248681  -0.0170822  0.0150871   -0.0189882  33  VAL   B HG12 
297  H HG13 . VAL   A 21  ? 0.239988 0.207786 0.256997  -0.0172911  0.00565012  -0.0179636  33  VAL   B HG13 
298  H HG21 . VAL   A 21  ? 0.246614 0.199453 0.245204  -0.0136952  -0.00138844 -0.0158354  33  VAL   B HG21 
299  H HG22 . VAL   A 21  ? 0.255403 0.201285 0.228423  -0.00800512 0.00159261  -0.0118634  33  VAL   B HG22 
300  H HG23 . VAL   A 21  ? 0.24406  0.202436 0.224322  -0.0074515  -0.00312569 -0.0106984  33  VAL   B HG23 
301  N N    . LEU   A 22  ? 0.229202 0.209634 0.193352  -0.00611218 0.0125649   -0.0157888  34  LEU   B N    
302  C CA   . LEU   A 22  ? 0.233999 0.219054 0.191339  -0.00477906 0.0144828   -0.0219717  34  LEU   B CA   
303  C C    . LEU   A 22  ? 0.239468 0.229073 0.217318  -0.010227   0.0141804   -0.0297103  34  LEU   B C    
304  O O    . LEU   A 22  ? 0.208286 0.201371 0.20462   -0.0139519  0.00918612  -0.0290223  34  LEU   B O    
305  C CB   . LEU   A 22  ? 0.221791 0.217584 0.170395  0.00099118  0.00715148  -0.0228002  34  LEU   B CB   
306  C CG   . LEU   A 22  ? 0.240356 0.231402 0.167856  0.00995013  0.0062706   -0.0161961  34  LEU   B CG   
307  C CD1  . LEU   A 22  ? 0.259859 0.269065 0.191616  0.0152045   -0.00276222 -0.0190652  34  LEU   B CD1  
308  C CD2  . LEU   A 22  ? 0.287215 0.264363 0.188308  0.0155318   0.0120416   -0.013228   34  LEU   B CD2  
309  H H    . LEU   A 22  ? 0.224678 0.21047  0.195484  -0.00648446 0.00854321  -0.0146873  34  LEU   B H    
310  H HA   . LEU   A 22  ? 0.245248 0.222943 0.190587  -0.00320256 0.0204895   -0.0207562  34  LEU   B HA   
311  H HB2  . LEU   A 22  ? 0.216884 0.220119 0.179682  -0.0016789  0.00352485  -0.0226652  34  LEU   B HB2  
312  H HB3  . LEU   A 22  ? 0.234123 0.234097 0.17909   0.00206426  0.00565946  -0.0289802  34  LEU   B HB3  
313  H HG   . LEU   A 22  ? 0.242439 0.227739 0.172603  0.00920135  0.00762858  -0.0117199  34  LEU   B HG   
314  H HD11 . LEU   A 22  ? 0.240967 0.257412 0.188644  0.0114697   -0.00356192 -0.0183087  34  LEU   B HD11 
315  H HD12 . LEU   A 22  ? 0.262242 0.269191 0.180909  0.022889    -0.00425273 -0.015558   34  LEU   B HD12 
316  H HD13 . LEU   A 22  ? 0.25728  0.273399 0.189914  0.0150601   -0.00632922 -0.0255282  34  LEU   B HD13 
317  H HD21 . LEU   A 22  ? 0.280568 0.248009 0.183912  0.0109412   0.0193481   -0.0111821  34  LEU   B HD21 
318  H HD22 . LEU   A 22  ? 0.288017 0.270194 0.182116  0.0176699   0.0103778   -0.0181968  34  LEU   B HD22 
319  H HD23 . LEU   A 22  ? 0.288792 0.26107  0.177385  0.0221123   0.0103607   -0.00835264 34  LEU   B HD23 
320  N N    . LYS   A 23  ? 0.227251 0.214948 0.200177  -0.00960077 0.0206406   -0.0366416  35  LYS   B N    
321  C CA   . LYS   A 23  ? 0.221573 0.21073  0.214932  -0.0129209  0.0221362   -0.0456966  35  LYS   B CA   
322  C C    . LYS   A 23  ? 0.249786 0.242182 0.232156  -0.0093685  0.0219486   -0.0582979  35  LYS   B C    
323  O O    . LYS   A 23  ? 0.24515  0.235852 0.200511  -0.00370963 0.0272992   -0.059218   35  LYS   B O    
324  C CB   . LYS   A 23  ? 0.219459 0.20452  0.222225  -0.0144907  0.033163    -0.045347   35  LYS   B CB   
325  C CG   . LYS   A 23  ? 0.2208   0.208311 0.248636  -0.0154622  0.0350034   -0.0549867  35  LYS   B CG   
326  C CD   . LYS   A 23  ? 0.221215 0.210585 0.266858  -0.0167403  0.0463916   -0.0556033  35  LYS   B CD   
327  C CE   . LYS   A 23  ? 0.213796 0.207168 0.285867  -0.0147765  0.0475791   -0.0664131  35  LYS   B CE   
328  N NZ   . LYS   A 23  ? 0.210751 0.211543 0.302893  -0.0145369  0.0614857   -0.0704459  35  LYS   B NZ   
329  H H    . LYS   A 23  ? 0.244396 0.229003 0.199607  -0.00604135 0.0247818   -0.0356532  35  LYS   B H    
330  H HA   . LYS   A 23  ? 0.21373  0.204251 0.222774  -0.0157419  0.0163717   -0.0448295  35  LYS   B HA   
331  H HB2  . LYS   A 23  ? 0.213306 0.196108 0.222493  -0.01652    0.0317848   -0.0389959  35  LYS   B HB2  
332  H HB3  . LYS   A 23  ? 0.234188 0.217044 0.220821  -0.012263   0.0411037   -0.0449903  35  LYS   B HB3  
333  H HG2  . LYS   A 23  ? 0.230237 0.218808 0.250723  -0.0130062  0.0362854   -0.0630213  35  LYS   B HG2  
334  H HG3  . LYS   A 23  ? 0.210491 0.197576 0.252386  -0.0170914  0.0270187   -0.053795   35  LYS   B HG3  
335  H HD2  . LYS   A 23  ? 0.210639 0.199182 0.26541   -0.0192751  0.04287     -0.0495009  35  LYS   B HD2  
336  H HD3  . LYS   A 23  ? 0.231633 0.220387 0.262998  -0.0158512  0.0567192   -0.0550318  35  LYS   B HD3  
337  H HE2  . LYS   A 23  ? 0.222808 0.215166 0.285694  -0.0121323  0.0477272   -0.0737343  35  LYS   B HE2  
338  H HE3  . LYS   A 23  ? 0.203947 0.195826 0.290916  -0.0154837  0.0379638   -0.0644549  35  LYS   B HE3  
339  H HZ1  . LYS   A 23  ? 0.225227 0.226403 0.302024  -0.0140256  0.0724528   -0.070623   35  LYS   B HZ1  
340  H HZ2  . LYS   A 23  ? 0.205227 0.207891 0.310782  -0.0174361  0.059479    -0.065442   35  LYS   B HZ2  
341  H HZ3  . LYS   A 23  ? 0.215003 0.218356 0.322536  -0.0116651  0.0614394   -0.078043   35  LYS   B HZ3  
342  N N    . ILE   A 24  ? 0.231035 0.225401 0.233299  -0.012104   0.0157235   -0.0681999  36  ILE   B N    
343  C CA   . ILE   A 24  ? 0.237293 0.231751 0.233455  -0.00846938 0.016174    -0.0848192  36  ILE   B CA   
344  C C    . ILE   A 24  ? 0.246248 0.235566 0.268906  -0.0101923  0.0200481   -0.0919743  36  ILE   B C    
345  O O    . ILE   A 24  ? 0.256431 0.24193  0.305954  -0.0150517  0.0138619   -0.0886704  36  ILE   B O    
346  C CB   . ILE   A 24  ? 0.269244 0.269686 0.266142  -0.00904846 0.00219369  -0.0951995  36  ILE   B CB   
347  C CG1  . ILE   A 24  ? 0.274343 0.283494 0.25022   -0.00523712 -0.00425836 -0.0888104  36  ILE   B CG1  
348  C CG2  . ILE   A 24  ? 0.323223 0.321672 0.312369  -0.0043127  0.00015031  -0.116548   36  ILE   B CG2  
349  C CD1  . ILE   A 24  ? 0.273129 0.293744 0.26052   -0.0070703  -0.0195973  -0.0994727  36  ILE   B CD1  
350  H H    . ILE   A 24  ? 0.220884 0.215021 0.239685  -0.0158869  0.0112127   -0.0648392  36  ILE   B H    
351  H HA   . ILE   A 24  ? 0.259889 0.253663 0.234622  -0.00367866 0.023136    -0.0853714  36  ILE   B HA   
352  H HB   . ILE   A 24  ? 0.258143 0.258112 0.277907  -0.0148796  -0.00238072 -0.09322    36  ILE   B HB   
353  H HG12 . ILE   A 24  ? 0.287648 0.294868 0.237906  0.00137203  -0.00012549 -0.0893739  36  ILE   B HG12 
354  H HG13 . ILE   A 24  ? 0.258079 0.267247 0.238398  -0.00735008 -0.00220527 -0.0768009  36  ILE   B HG13 
355  H HG21 . ILE   A 24  ? 0.319575 0.322373 0.312733  -0.0055515  -0.010663   -0.124635   36  ILE   B HG21 
356  H HG22 . ILE   A 24  ? 0.329804 0.327942 0.293061  0.00232517  0.00627389  -0.117928   36  ILE   B HG22 
357  H HG23 . ILE   A 24  ? 0.312979 0.305766 0.319056  -0.00609365 0.00346796  -0.121104   36  ILE   B HG23 
358  H HD11 . ILE   A 24  ? 0.263465 0.284247 0.277173  -0.0145224  -0.0217344  -0.0987994  36  ILE   B HD11 
359  H HD12 . ILE   A 24  ? 0.273556 0.30154  0.252175  -0.00401728 -0.0235224  -0.0940411  36  ILE   B HD12 
360  H HD13 . ILE   A 24  ? 0.292982 0.313626 0.271321  -0.00354273 -0.0236898  -0.112909   36  ILE   B HD13 
361  N N    . VAL   A 25  ? 0.26936  0.257909 0.283045  -0.00455351 0.0308364   -0.102257   37  VAL   B N    
362  C CA   . VAL   A 25  ? 0.283935 0.269032 0.322532  -0.00295701 0.0344374   -0.11332    37  VAL   B CA   
363  C C    . VAL   A 25  ? 0.307418 0.287167 0.350759  -0.0024707  0.0226902   -0.130524   37  VAL   B C    
364  O O    . VAL   A 25  ? 0.314667 0.296248 0.331665  0.0027533   0.0211829   -0.143766   37  VAL   B O    
365  C CB   . VAL   A 25  ? 0.304714 0.29354  0.335159  0.00373488  0.0532089   -0.119814   37  VAL   B CB   
366  C CG1  . VAL   A 25  ? 0.322411 0.308981 0.379852  0.00825153  0.055755    -0.13529    37  VAL   B CG1  
367  C CG2  . VAL   A 25  ? 0.287705 0.281459 0.322343  0.00034567  0.0646021   -0.103643   37  VAL   B CG2  
368  H H    . VAL   A 25  ? 0.282665 0.272581 0.273355  -0.00071558 0.0368489   -0.102053   37  VAL   B H    
369  H HA   . VAL   A 25  ? 0.268872 0.252322 0.328943  -0.00625878 0.0318516   -0.106146   37  VAL   B HA   
370  H HB   . VAL   A 25  ? 0.323836 0.312971 0.326871  0.00800918  0.0562322   -0.125226   37  VAL   B HB   
371  H HG11 . VAL   A 25  ? 0.305662 0.288391 0.387063  0.00506422  0.0472338   -0.131812   37  VAL   B HG11 
372  H HG12 . VAL   A 25  ? 0.337265 0.320275 0.383581  0.0120798   0.0528931   -0.148613   37  VAL   B HG12 
373  H HG13 . VAL   A 25  ? 0.323522 0.315678 0.385885  0.0111688   0.068742    -0.135706   37  VAL   B HG13 
374  H HG21 . VAL   A 25  ? 0.301395 0.298756 0.333546  0.00342222  0.0784052   -0.106943   37  VAL   B HG21 
375  H HG22 . VAL   A 25  ? 0.287631 0.28019  0.303296  -0.00130893 0.0628752   -0.0949864  37  VAL   B HG22 
376  H HG23 . VAL   A 25  ? 0.272214 0.266367 0.331703  -0.00291944 0.0597069   -0.0990649  37  VAL   B HG23 
377  N N    . LYS   A 26  ? 0.28374  0.254912 0.359819  -0.00720829 0.01408     -0.131016   38  LYS   B N    
378  C CA   . LYS   A 26  ? 0.311196 0.273597 0.399045  -0.00892526 0.00320467  -0.147828   38  LYS   B CA   
379  C C    . LYS   A 26  ? 0.330581 0.282668 0.433015  -0.00193956 0.00702301  -0.165874   38  LYS   B C    
380  O O    . LYS   A 26  ? 0.328844 0.272614 0.433167  -0.0003676  -0.00036205 -0.18695    38  LYS   B O    
381  C CB   . LYS   A 26  ? 0.333887 0.289562 0.447674  -0.0190301  -0.00648807 -0.135113   38  LYS   B CB   
382  C CG   . LYS   A 26  ? 0.345828 0.313505 0.447846  -0.0249103  -0.0103628  -0.121047   38  LYS   B CG   
383  C CD   . LYS   A 26  ? 0.459584 0.43964  0.539359  -0.0234077  -0.0166242  -0.131819   38  LYS   B CD   
384  C CE   . LYS   A 26  ? 0.461187 0.440539 0.562489  -0.0308311  -0.0294516  -0.144287   38  LYS   B CE   
385  N NZ   . LYS   A 26  ? 0.499017 0.494127 0.58193   -0.0282418  -0.0393361  -0.154897   38  LYS   B NZ   
386  H H    . LYS   A 26  ? 0.276984 0.246483 0.367767  -0.00926258 0.0146769   -0.120718   38  LYS   B H    
387  H HA   . LYS   A 26  ? 0.327309 0.294685 0.396555  -0.00778226 -0.00053737 -0.155785   38  LYS   B HA   
388  H HB2  . LYS   A 26  ? 0.32164  0.272216 0.448495  -0.018703   -0.00366517 -0.125497   38  LYS   B HB2  
389  H HB3  . LYS   A 26  ? 0.342764 0.290343 0.470128  -0.0217041  -0.0129984  -0.145665   38  LYS   B HB3  
390  H HG2  . LYS   A 26  ? 0.346732 0.318521 0.439493  -0.0229675  -0.00460822 -0.109395   38  LYS   B HG2  
391  H HG3  . LYS   A 26  ? 0.355459 0.318715 0.47541   -0.0313654  -0.0146368  -0.114132   38  LYS   B HG3  
392  H HD2  . LYS   A 26  ? 0.441636 0.422264 0.503054  -0.016472   -0.0131889  -0.141931   38  LYS   B HD2  
393  H HD3  . LYS   A 26  ? 0.418796 0.407149 0.487552  -0.0236439  -0.0156992  -0.120501   38  LYS   B HD3  
394  H HE2  . LYS   A 26  ? 0.456526 0.434489 0.577306  -0.0382101  -0.0303661  -0.133165   38  LYS   B HE2  
395  H HE3  . LYS   A 26  ? 0.483685 0.452937 0.594246  -0.0299529  -0.0310326  -0.157335   38  LYS   B HE3  
396  H HZ1  . LYS   A 26  ? 0.477834 0.481865 0.554255  -0.0284894  -0.0382664  -0.14305    38  LYS   B HZ1  
397  H HZ2  . LYS   A 26  ? 0.503926 0.499111 0.564229  -0.0204229  -0.0380734  -0.164006   38  LYS   B HZ2  
398  H HZ3  . LYS   A 26  ? 0.497975 0.493842 0.598703  -0.0335798  -0.0481563  -0.164536   38  LYS   B HZ3  
399  N N    . ARG   A 27  ? 0.308619 0.25981  0.428669  0.00236176  0.0159603   -0.159522   39  ARG   B N    
400  C CA   . ARG   A 27  ? 0.33869  0.283696 0.473537  0.0119567   0.0219931   -0.177155   39  ARG   B CA   
401  C C    . ARG   A 27  ? 0.346688 0.306093 0.483685  0.0186823   0.0389277   -0.172454   39  ARG   B C    
402  O O    . ARG   A 27  ? 0.319643 0.28563  0.470254  0.0150148   0.0396663   -0.154036   39  ARG   B O    
403  C CB   . ARG   A 27  ? 0.396963 0.322561 0.56903   0.011855    0.0124043   -0.178388   39  ARG   B CB   
404  C CG   . ARG   A 27  ? 0.446306 0.363707 0.635327  0.0243698   0.0176283   -0.199975   39  ARG   B CG   
405  C CD   . ARG   A 27  ? 0.507221 0.425855 0.72831   0.0309494   0.0205959   -0.188851   39  ARG   B CD   
406  N NE   . ARG   A 27  ? 0.491072 0.385666 0.735007  0.0268203   0.00559631  -0.178776   39  ARG   B NE   
407  C CZ   . ARG   A 27  ? 0.458188 0.339399 0.726574  0.028968    -0.00261411 -0.163306   39  ARG   B CZ   
408  N NH1  . ARG   A 27  ? 0.419387 0.310243 0.699404  0.0337345   -0.00343548 -0.147695   39  ARG   B NH1  
409  N NH2  . ARG   A 27  ? 0.450224 0.302753 0.732528  0.0262365   -0.0124974  -0.164452   39  ARG   B NH2  
410  H H    . ARG   A 27  ? 0.297274 0.252546 0.421477  -9.998e-05  0.0175784   -0.144913   39  ARG   B H    
411  H HA   . ARG   A 27  ? 0.367772 0.311655 0.487118  0.0155521   0.0222139   -0.193222   39  ARG   B HA   
412  H HB2  . ARG   A 27  ? 0.393227 0.309281 0.567468  0.00555498  0.00292189  -0.179929   39  ARG   B HB2  
413  H HB3  . ARG   A 27  ? 0.372803 0.299292 0.557019  0.0101241   0.0115179   -0.162735   39  ARG   B HB3  
414  H HG2  . ARG   A 27  ? 0.464446 0.391812 0.635555  0.0300645   0.0272567   -0.211162   39  ARG   B HG2  
415  H HG3  . ARG   A 27  ? 0.471457 0.372909 0.669493  0.0234093   0.00926348  -0.210308   39  ARG   B HG3  
416  H HD2  . ARG   A 27  ? 0.464429 0.39661  0.681407  0.0284384   0.0246158   -0.175354   39  ARG   B HD2  
417  H HD3  . ARG   A 27  ? 0.49839  0.418972 0.729239  0.0405779   0.0275754   -0.202174   39  ARG   B HD3  
418  H HE   . ARG   A 27  ? 0.494386 0.378927 0.733466  0.0214011   0.00020928  -0.1834     39  ARG   B HE   
419  H HH11 . ARG   A 27  ? 0.409363 0.315807 0.678738  0.030493    3.74e-05    -0.140088   39  ARG   B HH11 
420  H HH12 . ARG   A 27  ? 0.434642 0.315917 0.733382  0.0405735   -0.00840307 -0.145421   39  ARG   B HH12 
421  H HH21 . ARG   A 27  ? 0.47831  0.320477 0.767411  0.0298782   -0.0127928  -0.180552   39  ARG   B HH21 
422  H HH22 . ARG   A 27  ? 0.455929 0.298572 0.740888  0.0207627   -0.0183124  -0.1491     39  ARG   B HH22 
423  N N    . VAL   A 28  ? 0.344938 0.310719 0.467392  0.0283011   0.0532918   -0.189512   40  VAL   B N    
424  C CA   . VAL   A 28  ? 0.377228 0.359921 0.504068  0.0326406   0.0732512   -0.184328   40  VAL   B CA   
425  C C    . VAL   A 28  ? 0.369113 0.353831 0.543632  0.0380229   0.0737762   -0.185999   40  VAL   B C    
426  O O    . VAL   A 28  ? 0.365809 0.337105 0.559538  0.0443995   0.0657187   -0.199521   40  VAL   B O    
427  C CB   . VAL   A 28  ? 0.446675 0.43634  0.538691  0.0415978   0.092106    -0.198945   40  VAL   B CB   
428  C CG1  . VAL   A 28  ? 0.505057 0.512297 0.612128  0.0471111   0.117282    -0.198102   40  VAL   B CG1  
429  C CG2  . VAL   A 28  ? 0.453557 0.443373 0.49809   0.0371433   0.0907028   -0.189821   40  VAL   B CG2  
430  H H    . VAL   A 28  ? 0.379513 0.339504 0.49016   0.0320005   0.0511806   -0.204506   40  VAL   B H    
431  H HA   . VAL   A 28  ? 0.359121 0.347438 0.480157  0.0262754   0.0737414   -0.168953   40  VAL   B HA   
432  H HB   . VAL   A 28  ? 0.468014 0.449489 0.557732  0.0476595   0.0879907   -0.216172   40  VAL   B HB   
433  H HG11 . VAL   A 28  ? 0.464731 0.478928 0.588389  0.0405891   0.118006    -0.183234   40  VAL   B HG11 
434  H HG12 . VAL   A 28  ? 0.49386  0.501458 0.624604  0.0540034   0.119186    -0.210026   40  VAL   B HG12 
435  H HG13 . VAL   A 28  ? 0.507662 0.518986 0.585032  0.0506369   0.131053    -0.200778   40  VAL   B HG13 
436  H HG21 . VAL   A 28  ? 0.479095 0.471286 0.496534  0.0440709   0.101985    -0.198103   40  VAL   B HG21 
437  H HG22 . VAL   A 28  ? 0.450553 0.432257 0.49024   0.033951    0.0748296   -0.19243    40  VAL   B HG22 
438  H HG23 . VAL   A 28  ? 0.435018 0.430373 0.481644  0.0312737   0.0942327   -0.173359   40  VAL   B HG23 
439  N N    . GLY   A 29  ? 0.359181 0.359574 0.553892  0.0352638   0.0807976   -0.171848   41  GLY   B N    
440  C CA   . GLY   A 29  ? 0.347531 0.35587  0.589857  0.0416349   0.0799197   -0.172889   41  GLY   B CA   
441  C C    . GLY   A 29  ? 0.402842 0.43159  0.660568  0.0505891   0.104016    -0.186241   41  GLY   B C    
442  O O    . GLY   A 29  ? 0.399742 0.43025  0.626345  0.0538524   0.120415    -0.19667    41  GLY   B O    
443  H H    . GLY   A 29  ? 0.347489 0.353964 0.526928  0.0295059   0.0852765   -0.161769   41  GLY   B H    
444  H HA2  . GLY   A 29  ? 0.36237  0.357446 0.617318  0.0459653   0.068722    -0.178231   41  GLY   B HA2  
445  H HA3  . GLY   A 29  ? 0.338195 0.351763 0.591194  0.0363141   0.0743554   -0.159463   41  GLY   B HA3  
446  N N    . ASN   A 30  ? 0.413375 0.458798 0.719942  0.0557397   0.105896    -0.186295   42  ASN   B N    
447  C CA   . ASN   A 30  ? 0.433724 0.501604 0.768442  0.0660784   0.128732    -0.201035   42  ASN   B CA   
448  C C    . ASN   A 30  ? 0.424483 0.521363 0.79152   0.0585877   0.140874    -0.189887   42  ASN   B C    
449  O O    . ASN   A 30  ? 0.376324 0.473862 0.759112  0.050782    0.123085    -0.175665   42  ASN   B O    
450  C CB   . ASN   A 30  ? 0.457416 0.523104 0.836701  0.0814593   0.118549    -0.21481    42  ASN   B CB   
451  C CG   . ASN   A 30  ? 0.557214 0.588285 0.9218    0.0846133   0.0952589   -0.217914   42  ASN   B CG   
452  O OD1  . ASN   A 30  ? 0.573931 0.590955 0.950314  0.0815924   0.072224    -0.203951   42  ASN   B OD1  
453  N ND2  . ASN   A 30  ? 0.576594 0.592293 0.911435  0.0893783   0.101141    -0.23514    42  ASN   B ND2  
454  H H    . ASN   A 30  ? 0.394066 0.437799 0.717376  0.0531942   0.0920642   -0.176939   42  ASN   B H    
455  H HA   . ASN   A 30  ? 0.45667  0.52356  0.764937  0.0688938   0.143292    -0.209911   42  ASN   B HA   
456  H HB2  . ASN   A 30  ? 0.456971 0.533961 0.869185  0.0813319   0.111261    -0.2079     42  ASN   B HB2  
457  H HB3  . ASN   A 30  ? 0.490495 0.566469 0.878139  0.0903673   0.135003    -0.229034   42  ASN   B HB3  
458  H HD21 . ASN   A 30  ? 0.587347 0.582678 0.918402  0.090952    0.0885162   -0.239184   42  ASN   B HD21 
459  H HD22 . ASN   A 30  ? 0.589875 0.615082 0.908201  0.0910588   0.117477    -0.242854   42  ASN   B HD22 
460  N N    . GLY   A 31  ? 0.44423  0.565436 0.826241  0.0620414   0.17081     -0.198231   43  GLY   B N    
461  C CA   . GLY   A 31  ? 0.444209 0.595528 0.869754  0.0540467   0.184241    -0.190429   43  GLY   B CA   
462  C C    . GLY   A 31  ? 0.438268 0.585554 0.831321  0.0363379   0.191838    -0.171271   43  GLY   B C    
463  O O    . GLY   A 31  ? 0.584358 0.706838 0.923591  0.0315714   0.182429    -0.162934   43  GLY   B O    
464  H H    . GLY   A 31  ? 0.467561 0.586788 0.833152  0.0693147   0.18368     -0.209455   43  GLY   B H    
465  H HA2  . GLY   A 31  ? 0.456303 0.625421 0.900107  0.0598283   0.205857    -0.199891   43  GLY   B HA2  
466  H HA3  . GLY   A 31  ? 0.424426 0.581319 0.885365  0.0551134   0.166839    -0.188906   43  GLY   B HA3  
467  N N    . GLU   A 32  ? 0.450051 0.622238 0.881484  0.0263909   0.207984    -0.164618   44  GLU   B N    
468  C CA   . GLU   A 32  ? 0.459982 0.627417 0.869027  0.00929508  0.218098    -0.14653    44  GLU   B CA   
469  C C    . GLU   A 32  ? 0.355588 0.522769 0.792539  -0.0016549  0.190368    -0.136563   44  GLU   B C    
470  O O    . GLU   A 32  ? 0.394054 0.547842 0.805387  -0.0139918  0.188462    -0.122427   44  GLU   B O    
471  C CB   . GLU   A 32  ? 0.488413 0.67949  0.916002  0.00613703  0.260084    -0.147403   44  GLU   B CB   
472  H H    . GLU   A 32  ? 0.445715 0.638432 0.921821  0.0304747   0.212723    -0.172129   44  GLU   B H    
473  H HA   . GLU   A 32  ? 0.452137 0.598971 0.810732  0.00909698  0.216629    -0.141529   44  GLU   B HA   
476  N N    . GLU   A 33  ? 0.300725 0.48201  0.789168  0.00439218  0.167875    -0.144514   45  GLU   B N    
477  C CA   . GLU   A 33  ? 0.295951 0.477836 0.808121  -0.00230337 0.139116    -0.13822    45  GLU   B CA   
478  C C    . GLU   A 33  ? 0.301471 0.44916  0.754675  -0.00343738 0.11595     -0.127023   45  GLU   B C    
479  O O    . GLU   A 33  ? 0.289297 0.418125 0.707977  0.00561378  0.109498    -0.128983   45  GLU   B O    
480  C CB   . GLU   A 33  ? 0.293928 0.496994 0.866621  0.00986871  0.119117    -0.150342   45  GLU   B CB   
481  H H    . GLU   A 33  ? 0.319659 0.510255 0.828076  0.0147081   0.170162    -0.155119   45  GLU   B H    
482  H HA   . GLU   A 33  ? 0.295849 0.486771 0.822791  -0.0136724  0.148864    -0.13348    45  GLU   B HA   
485  N N    . THR   A 34  ? 0.265969 0.406503 0.711541  -0.0148501  0.103615    -0.116445   46  THR   B N    
486  C CA   . THR   A 34  ? 0.24794  0.362613 0.650954  -0.0150337  0.0789445   -0.1067     46  THR   B CA   
487  C C    . THR   A 34  ? 0.236335 0.358092 0.669552  -0.0176775  0.0539279   -0.106077   46  THR   B C    
488  O O    . THR   A 34  ? 0.281747 0.426856 0.765157  -0.0231773  0.057775    -0.112412   46  THR   B O    
489  C CB   . THR   A 34  ? 0.240192 0.334994 0.590515  -0.0242628  0.0899631   -0.0950107  46  THR   B CB   
490  O OG1  . THR   A 34  ? 0.245348 0.350407 0.618353  -0.0367303  0.104804    -0.0918333  46  THR   B OG1  
491  C CG2  . THR   A 34  ? 0.256694 0.343254 0.569155  -0.0203812  0.111059    -0.0960681  46  THR   B CG2  
492  H H    . THR   A 34  ? 0.270142 0.42276  0.739517  -0.0230006  0.111996    -0.115747   46  THR   B H    
493  H HA   . THR   A 34  ? 0.24811  0.354025 0.638874  -0.0063583  0.0702205   -0.108782   46  THR   B HA   
494  H HB   . THR   A 34  ? 0.236818 0.317724 0.564509  -0.024369   0.0737508   -0.0891467  46  THR   B HB   
496  H HG21 . THR   A 34  ? 0.259992 0.33299  0.537709  -0.024407   0.113014    -0.0881221  46  THR   B HG21 
497  H HG22 . THR   A 34  ? 0.266444 0.36561  0.595402  -0.0212773  0.130412    -0.099984   46  THR   B HG22 
498  H HG23 . THR   A 34  ? 0.255627 0.337608 0.561987  -0.0123576  0.103047    -0.101224   46  THR   B HG23 
499  N N    . PRO   A 35  ? 0.255414 0.360675 0.665585  -0.0118698  0.0269379   -0.10079    47  PRO   B N    
500  C CA   . PRO   A 35  ? 0.308227 0.420392 0.742822  -0.0107047  0.00091909  -0.10249    47  PRO   B CA   
501  C C    . PRO   A 35  ? 0.29749  0.413325 0.740352  -0.0256735  0.00391578  -0.101649   47  PRO   B C    
502  O O    . PRO   A 35  ? 0.224829 0.323242 0.628894  -0.034458   0.0163437   -0.0929091  47  PRO   B O    
503  C CB   . PRO   A 35  ? 0.279251 0.36724  0.670938  -0.00191795 -0.021699   -0.0933431  47  PRO   B CB   
504  C CG   . PRO   A 35  ? 0.330909 0.401618 0.685878  0.00049624  -0.00803958 -0.088249   47  PRO   B CG   
505  C CD   . PRO   A 35  ? 0.279649 0.359827 0.640112  -0.00625309 0.0209243   -0.0933396  47  PRO   B CD   
506  H HA   . PRO   A 35  ? 0.289737 0.418793 0.763043  -0.00478132 -0.0039628  -0.11045    47  PRO   B HA   
507  H HB2  . PRO   A 35  ? 0.299043 0.378324 0.67      -0.00668443 -0.0283897  -0.0884252  47  PRO   B HB2  
508  H HB3  . PRO   A 35  ? 0.301331 0.393448 0.710262  0.00729402  -0.0380656  -0.0959884  47  PRO   B HB3  
509  H HG2  . PRO   A 35  ? 0.305712 0.361139 0.625891  -0.00201996 -0.0115098  -0.0802089  47  PRO   B HG2  
510  H HG3  . PRO   A 35  ? 0.310355 0.378501 0.672591  0.00960644  -0.0150035  -0.0899648  47  PRO   B HG3  
511  H HD2  . PRO   A 35  ? 0.28409  0.354066 0.614045  -0.0125188  0.0289536   -0.0874573  47  PRO   B HD2  
512  H HD3  . PRO   A 35  ? 0.287411 0.36781  0.650966  -0.00019456 0.0272432   -0.0979955  47  PRO   B HD3  
513  N N    . MET   A 36  ? 0.321392 0.460366 0.819108  -0.0275064  -0.00774815 -0.112008   48  MET   B N    
514  C CA   . MET   A 36  ? 0.35645  0.499709 0.874854  -0.040835   -0.0137791  -0.11547    48  MET   B CA   
515  C C    . MET   A 36  ? 0.413131 0.541401 0.904188  -0.0331273  -0.0496279  -0.115189   48  MET   B C    
516  O O    . MET   A 36  ? 0.324758 0.449884 0.803484  -0.0172325  -0.0718978  -0.114586   48  MET   B O    
517  C CB   . MET   A 36  ? 0.360993 0.540764 0.959534  -0.0459139  -0.0113585  -0.129799   48  MET   B CB   
518  C CG   . MET   A 36  ? 0.281689 0.484777 0.924687  -0.0569502  0.0281049   -0.13229    48  MET   B CG   
519  S SD   . MET   A 36  ? 0.293212 0.471726 0.895017  -0.0755921  0.0640736   -0.11713    48  MET   B SD   
520  C CE   . MET   A 36  ? 0.362022 0.564406 0.990737  -0.0744422  0.105589    -0.118586   48  MET   B CE   
521  H H    . MET   A 36  ? 0.32156  0.474991 0.848636  -0.0197233  -0.0132759  -0.118488   48  MET   B H    
522  H HA   . MET   A 36  ? 0.359937 0.49146  0.857247  -0.0503798  0.00312091  -0.109014   48  MET   B HA   
523  H HB2  . MET   A 36  ? 0.338894 0.529661 0.955054  -0.0339703  -0.0272046  -0.135499   48  MET   B HB2  
524  H HB3  . MET   A 36  ? 0.344725 0.525931 0.957946  -0.0529556  -0.0236488  -0.134077   48  MET   B HB3  
525  H HG2  . MET   A 36  ? 0.296012 0.504266 0.93689   -0.0477027  0.036888    -0.132904   48  MET   B HG2  
526  H HG3  . MET   A 36  ? 0.298881 0.525481 0.996096  -0.0617638  0.0247279   -0.141789   48  MET   B HG3  
527  H HE1  . MET   A 36  ? 0.356436 0.550973 0.972394  -0.0842762  0.129188    -0.110633   48  MET   B HE1  
528  H HE2  . MET   A 36  ? 0.342283 0.538224 0.942564  -0.0627337  0.105134    -0.117866   48  MET   B HE2  
529  H HE3  . MET   A 36  ? 0.34302  0.572418 1.02732   -0.0749774  0.105155    -0.128462   48  MET   B HE3  
530  N N    . ILE   A 37  ? 0.33199  0.450533 0.815702  -0.0433347  -0.0570244  -0.116642   49  ILE   B N    
531  C CA   . ILE   A 37  ? 0.262402 0.36927  0.722159  -0.035393   -0.0902513  -0.119804   49  ILE   B CA   
532  C C    . ILE   A 37  ? 0.241999 0.374634 0.751608  -0.0253283  -0.118017   -0.133906   49  ILE   B C    
533  O O    . ILE   A 37  ? 0.264623 0.42522  0.840507  -0.0336099  -0.114846   -0.146501   49  ILE   B O    
534  C CB   . ILE   A 37  ? 0.298515 0.393159 0.754561  -0.0487512  -0.0934758  -0.124468   49  ILE   B CB   
535  C CG1  . ILE   A 37  ? 0.354423 0.422529 0.760231  -0.0553988  -0.0702218  -0.110458   49  ILE   B CG1  
536  C CG2  . ILE   A 37  ? 0.290667 0.379081 0.732009  -0.0392077  -0.131101   -0.134236   49  ILE   B CG2  
537  C CD1  . ILE   A 37  ? 0.349868 0.423147 0.761315  -0.0613099  -0.0360819  -0.101511   49  ILE   B CD1  
538  H H    . ILE   A 37  ? 0.329889 0.449669 0.826723  -0.0550688  -0.0412133  -0.116716   49  ILE   B H    
539  H HA   . ILE   A 37  ? 0.275387 0.366205 0.691767  -0.0269915  -0.0937737  -0.110999   49  ILE   B HA   
540  H HB   . ILE   A 37  ? 0.298308 0.40806  0.799979  -0.0592107  -0.0859821  -0.131752   49  ILE   B HB   
541  H HG12 . ILE   A 37  ? 0.350133 0.410073 0.75959   -0.0642492  -0.0700821  -0.113681   49  ILE   B HG12 
542  H HG13 . ILE   A 37  ? 0.342081 0.396353 0.705515  -0.0462059  -0.0778444  -0.104077   49  ILE   B HG13 
543  H HG21 . ILE   A 37  ? 0.306571 0.382768 0.738421  -0.0466407  -0.131799   -0.137022   49  ILE   B HG21 
544  H HG22 . ILE   A 37  ? 0.300404 0.377452 0.701436  -0.0273538  -0.138889   -0.126809   49  ILE   B HG22 
545  H HG23 . ILE   A 37  ? 0.301457 0.409065 0.782708  -0.0369153  -0.14649    -0.14537    49  ILE   B HG23 
546  H HD11 . ILE   A 37  ? 0.340079 0.414694 0.736536  -0.0521869  -0.035384   -0.097434   49  ILE   B HD11 
547  H HD12 . ILE   A 37  ? 0.351108 0.408184 0.735874  -0.0668295  -0.0227229  -0.0939879  49  ILE   B HD12 
548  H HD13 . ILE   A 37  ? 0.346969 0.437637 0.802955  -0.0683874  -0.0278838  -0.107598   49  ILE   B HD13 
549  N N    . GLY   A 38  ? 0.251355 0.373459 0.727287  -0.00771601 -0.146426   -0.131517   50  GLY   B N    
550  C CA   . GLY   A 38  ? 0.294724 0.435489 0.802634  0.00802353  -0.177923   -0.141711   50  GLY   B CA   
551  C C    . GLY   A 38  ? 0.277558 0.422452 0.790399  0.0239468   -0.176387   -0.134857   50  GLY   B C    
552  O O    . GLY   A 38  ? 0.313198 0.466853 0.840563  0.0417763   -0.205026   -0.139384   50  GLY   B O    
553  H H    . GLY   A 38  ? 0.262425 0.364031 0.691197  -0.00458943 -0.145985   -0.122219   50  GLY   B H    
554  H HA2  . GLY   A 38  ? 0.30014  0.428905 0.777275  0.0158392   -0.199294   -0.141642   50  GLY   B HA2  
555  H HA3  . GLY   A 38  ? 0.282511 0.445316 0.841563  0.00137039  -0.181482   -0.154547   50  GLY   B HA3  
556  N N    . ASP   A 39  ? 0.271173 0.41481  0.785501  0.0174662   -0.143918   -0.127999   51  ASP   B N    
557  C CA   . ASP   A 39  ? 0.292861 0.437838 0.814814  0.0309992   -0.138464   -0.123912   51  ASP   B CA   
558  C C    . ASP   A 39  ? 0.276436 0.390848 0.740297  0.0470354   -0.155912   -0.109028   51  ASP   B C    
559  O O    . ASP   A 39  ? 0.29752  0.38793  0.706255  0.0436453   -0.1564     -0.0982087  51  ASP   B O    
560  C CB   . ASP   A 39  ? 0.273372 0.414546 0.788982  0.0213547   -0.100752   -0.1192     51  ASP   B CB   
561  C CG   . ASP   A 39  ? 0.297093 0.469305 0.872735  0.0104343   -0.0769732  -0.1312     51  ASP   B CG   
562  O OD1  . ASP   A 39  ? 0.270229 0.469525 0.900931  0.00868924  -0.0901713  -0.143809   51  ASP   B OD1  
563  O OD2  . ASP   A 39  ? 0.273387 0.443577 0.84105   0.00384806  -0.045746   -0.12837    51  ASP   B OD2  
564  H H    . ASP   A 39  ? 0.264457 0.405006 0.773828  0.00486491  -0.12475    -0.126296   51  ASP   B H    
565  H HA   . ASP   A 39  ? 0.283191 0.449858 0.850712  0.0372321   -0.148187   -0.133745   51  ASP   B HA   
566  H HB2  . ASP   A 39  ? 0.278623 0.403044 0.756573  0.013308    -0.09157    -0.111635   51  ASP   B HB2  
567  H HB3  . ASP   A 39  ? 0.284349 0.417635 0.790743  0.0311464   -0.0999687  -0.115265   51  ASP   B HB3  
568  N N    . LYS   A 40  ? 0.28103  0.395976 0.759447  0.0652554   -0.169119   -0.107821   52  LYS   B N    
569  C CA   . LYS   A 40  ? 0.275312 0.358614 0.703351  0.079718    -0.180623   -0.0910191  52  LYS   B CA   
570  C C    . LYS   A 40  ? 0.272354 0.339186 0.684228  0.074299    -0.152282   -0.0831357  52  LYS   B C    
571  O O    . LYS   A 40  ? 0.279826 0.361474 0.731476  0.0744502   -0.137667   -0.0925979  52  LYS   B O    
572  C CB   . LYS   A 40  ? 0.291769 0.379473 0.744628  0.103312    -0.208721   -0.0926001  52  LYS   B CB   
573  H H    . LYS   A 40  ? 0.273869 0.409306 0.796883  0.0687732   -0.170027   -0.117447   52  LYS   B H    
574  H HA   . LYS   A 40  ? 0.288978 0.358252 0.678188  0.0780354   -0.18766    -0.084036   52  LYS   B HA   
577  N N    . VAL   A 41  ? 0.303435 0.342384 0.658473  0.0683195   -0.143344   -0.0680282  53  VAL   B N    
578  C CA   . VAL   A 41  ? 0.275463 0.299908 0.61374   0.0607065   -0.118574   -0.0628054  53  VAL   B CA   
579  C C    . VAL   A 41  ? 0.294708 0.287817 0.601114  0.0711173   -0.125671   -0.0465299  53  VAL   B C    
580  O O    . VAL   A 41  ? 0.323185 0.300184 0.593773  0.0770718   -0.140685   -0.0330815  53  VAL   B O    
581  C CB   . VAL   A 41  ? 0.274985 0.296867 0.581094  0.0436048   -0.10259    -0.0599019  53  VAL   B CB   
582  C CG1  . VAL   A 41  ? 0.301883 0.314106 0.594698  0.0358433   -0.0789768  -0.058076   53  VAL   B CG1  
583  C CG2  . VAL   A 41  ? 0.274092 0.321331 0.611569  0.0332365   -0.0964369  -0.0731753  53  VAL   B CG2  
584  H H    . VAL   A 41  ? 0.301378 0.331351 0.628378  0.0695184   -0.153914   -0.0618136  53  VAL   B H    
585  H HA   . VAL   A 41  ? 0.272807 0.309367 0.641589  0.0601912   -0.108208   -0.0720568  53  VAL   B HA   
586  H HB   . VAL   A 41  ? 0.290268 0.299809 0.565312  0.0452103   -0.111705   -0.0510162  53  VAL   B HB   
587  H HG11 . VAL   A 41  ? 0.284436 0.306705 0.604682  0.0370822   -0.0710974  -0.0668477  53  VAL   B HG11 
588  H HG12 . VAL   A 41  ? 0.299051 0.29382  0.571989  0.0396964   -0.0818845  -0.0492176  53  VAL   B HG12 
589  H HG13 . VAL   A 41  ? 0.279504 0.292706 0.556396  0.026248    -0.0689036  -0.0574658  53  VAL   B HG13 
590  H HG21 . VAL   A 41  ? 0.261353 0.304712 0.579984  0.0232021   -0.083475   -0.0710163  53  VAL   B HG21 
591  H HG22 . VAL   A 41  ? 0.276849 0.329451 0.619905  0.0363883   -0.11289    -0.0755549  53  VAL   B HG22 
592  H HG23 . VAL   A 41  ? 0.264561 0.326176 0.636097  0.033731    -0.0888304  -0.08161    53  VAL   B HG23 
593  N N    . TYR   A 42  ? 0.300797 0.284313 0.619253  0.0725347   -0.11296    -0.0482043  54  TYR   B N    
594  C CA   . TYR   A 42  ? 0.31508  0.266317 0.613195  0.079744    -0.115668   -0.0342583  54  TYR   B CA   
595  C C    . TYR   A 42  ? 0.298113 0.237176 0.576237  0.0650256   -0.0935913  -0.0329505  54  TYR   B C    
596  O O    . TYR   A 42  ? 0.268243 0.218606 0.566004  0.0594303   -0.0779655  -0.0476049  54  TYR   B O    
597  C CB   . TYR   A 42  ? 0.33134  0.279591 0.668025  0.0956556   -0.12266    -0.0412278  54  TYR   B CB   
598  C CG   . TYR   A 42  ? 0.35067  0.31449  0.716276  0.113384    -0.147274   -0.0450995  54  TYR   B CG   
599  C CD1  . TYR   A 42  ? 0.335239 0.337547 0.741633  0.111699    -0.148885   -0.0629043  54  TYR   B CD1  
600  C CD2  . TYR   A 42  ? 0.409403 0.349349 0.762922  0.131845    -0.169034   -0.0306162  54  TYR   B CD2  
601  C CE1  . TYR   A 42  ? 0.347421 0.367771 0.786283  0.12781     -0.174165   -0.0687613  54  TYR   B CE1  
602  C CE2  . TYR   A 42  ? 0.443613 0.398479 0.822634  0.150591    -0.195224   -0.0349575  54  TYR   B CE2  
603  C CZ   . TYR   A 42  ? 0.420428 0.417532 0.843482  0.148239    -0.199195   -0.0552346  54  TYR   B CZ   
604  O OH   . TYR   A 42  ? 0.460525 0.473754 0.914118  0.168165    -0.228224   -0.0608862  54  TYR   B OH   
605  H H    . TYR   A 42  ? 0.284372 0.281468 0.625718  0.0685161   -0.101169   -0.0592028  54  TYR   B H    
606  H HA   . TYR   A 42  ? 0.332061 0.270658 0.604724  0.0842397   -0.127219   -0.0214678  54  TYR   B HA   
607  H HB2  . TYR   A 42  ? 0.318695 0.278853 0.677384  0.0915307   -0.10928    -0.0541789  54  TYR   B HB2  
608  H HB3  . TYR   A 42  ? 0.351502 0.274515 0.674002  0.0992942   -0.123689   -0.0311041  54  TYR   B HB3  
609  H HD1  . TYR   A 42  ? 0.312981 0.329484 0.72582   0.0992816   -0.132854   -0.0708665  54  TYR   B HD1  
610  H HD2  . TYR   A 42  ? 0.424435 0.337129 0.752463  0.132118    -0.166382   -0.0172305  54  TYR   B HD2  
611  H HE1  . TYR   A 42  ? 0.342112 0.390072 0.813599  0.125065    -0.174591   -0.0814591  54  TYR   B HE1  
612  H HE2  . TYR   A 42  ? 0.468573 0.404997 0.835276  0.164789    -0.210774   -0.0237712  54  TYR   B HE2  
614  N N    . VAL   A 43  ? 0.303786 0.220808 0.543399  0.0599368   -0.0926888  -0.0158482  55  VAL   B N    
615  C CA   . VAL   A 43  ? 0.309036 0.218197 0.532805  0.0455857   -0.0747997  -0.0154338  55  VAL   B CA   
616  C C    . VAL   A 43  ? 0.33743  0.214145 0.546448  0.0464608   -0.0758816  0.00135188  55  VAL   B C    
617  O O    . VAL   A 43  ? 0.359056 0.218481 0.553564  0.0563379   -0.0880949  0.0184619   55  VAL   B O    
618  C CB   . VAL   A 43  ? 0.284492 0.206079 0.480947  0.0330188   -0.0662844  -0.0134631  55  VAL   B CB   
619  C CG1  . VAL   A 43  ? 0.260823 0.209647 0.473954  0.0306463   -0.0634447  -0.028254   55  VAL   B CG1  
620  C CG2  . VAL   A 43  ? 0.323609 0.233976 0.485062  0.0352268   -0.074688   0.00537989  55  VAL   B CG2  
621  H H    . VAL   A 43  ? 0.324438 0.232182 0.547827  0.0658361   -0.103354   -0.00451821 55  VAL   B H    
622  H HA   . VAL   A 43  ? 0.297252 0.212765 0.539956  0.0439739   -0.0670229  -0.0280595  55  VAL   B HA   
623  H HB   . VAL   A 43  ? 0.283428 0.201798 0.47497   0.0251605   -0.0558403  -0.0154251  55  VAL   B HB   
624  H HG11 . VAL   A 43  ? 0.266623 0.220724 0.487135  0.037276    -0.0749548  -0.0277945  55  VAL   B HG11 
625  H HG12 . VAL   A 43  ? 0.25615  0.211543 0.489743  0.0305103   -0.056359   -0.0389637  55  VAL   B HG12 
626  H HG13 . VAL   A 43  ? 0.250535 0.204321 0.446964  0.0229308   -0.0570181  -0.0274387  55  VAL   B HG13 
627  H HG21 . VAL   A 43  ? 0.304212 0.22494  0.452545  0.0299766   -0.0715012  0.00388069  55  VAL   B HG21 
628  H HG22 . VAL   A 43  ? 0.327448 0.222734 0.477652  0.0325103   -0.0703203  0.01508     55  VAL   B HG22 
629  H HG23 . VAL   A 43  ? 0.330242 0.238036 0.493798  0.0451962   -0.0873731  0.0087982   55  VAL   B HG23 
630  N N    . HIS   A 44  ? 0.329137 0.197952 0.539889  0.0353524   -0.0627027  -0.00332339 56  HIS   B N    
631  C CA   . HIS   A 44  ? 0.36312  0.207948 0.55813   0.0273763   -0.0577567  0.0123427   56  HIS   B CA   
632  C C    . HIS   A 44  ? 0.35455  0.215957 0.531579  0.0126044   -0.0461318  0.0102065   56  HIS   B C    
633  O O    . HIS   A 44  ? 0.322412 0.204698 0.503751  0.00846229  -0.0405601  -0.00607992 56  HIS   B O    
634  C CB   . HIS   A 44  ? 0.38727  0.208712 0.605658  0.0254373   -0.0543748  0.00609804  56  HIS   B CB   
635  C CG   . HIS   A 44  ? 0.432653 0.225259 0.662155  0.0393063   -0.0650765  0.0171061   56  HIS   B CG   
636  N ND1  . HIS   A 44  ? 0.467308 0.238604 0.673776  0.0439901   -0.070565   0.0438918   56  HIS   B ND1  
637  C CD2  . HIS   A 44  ? 0.466336 0.248579 0.723708  0.0519118   -0.0716688  0.00631317  56  HIS   B CD2  
638  C CE1  . HIS   A 44  ? 0.49516  0.241153 0.714163  0.0591824   -0.0814637  0.0504384   56  HIS   B CE1  
639  N NE2  . HIS   A 44  ? 0.501967 0.255132 0.754595  0.0646575   -0.0829922  0.0269288   56  HIS   B NE2  
640  H H    . HIS   A 44  ? 0.320458 0.19999  0.543948  0.0324042   -0.0563181  -0.0175086  56  HIS   B H    
641  H HA   . HIS   A 44  ? 0.381293 0.214951 0.561501  0.0326051   -0.0638033  0.0282538   56  HIS   B HA   
642  H HB2  . HIS   A 44  ? 0.37578  0.208295 0.609029  0.0252272   -0.0511684  -0.0116377  56  HIS   B HB2  
643  H HB3  . HIS   A 44  ? 0.39156  0.205568 0.603488  0.0150694   -0.0478593  0.0112709   56  HIS   B HB3  
645  H HD2  . HIS   A 44  ? 0.450426 0.243062 0.72607   0.0532655   -0.0688429  -0.0118294  56  HIS   B HD2  
646  H HE1  . HIS   A 44  ? 0.528949 0.254823 0.733871  0.0660761   -0.0868433  0.0689658   56  HIS   B HE1  
648  N N    . TYR   A 45  ? 0.338323 0.191452 0.493332  0.0063099   -0.0420622  0.0281829   57  TYR   B N    
649  C CA   . TYR   A 45  ? 0.301656 0.171981 0.441549  -0.0050905  -0.0323879  0.0271343   57  TYR   B CA   
650  C C    . TYR   A 45  ? 0.32917  0.185554 0.463692  -0.0144724  -0.0240223  0.0438964   57  TYR   B C    
651  O O    . TYR   A 45  ? 0.357277 0.189777 0.488415  -0.0108092  -0.0251885  0.0619097   57  TYR   B O    
652  C CB   . TYR   A 45  ? 0.297309 0.186294 0.413053  -0.00108263 -0.034936   0.0289606   57  TYR   B CB   
653  C CG   . TYR   A 45  ? 0.31642  0.194612 0.404505  0.00530442  -0.0385548  0.0499608   57  TYR   B CG   
654  C CD1  . TYR   A 45  ? 0.35118  0.217853 0.433748  0.0193061   -0.0523442  0.0570328   57  TYR   B CD1  
655  C CD2  . TYR   A 45  ? 0.328372 0.206827 0.396588  -0.00098747 -0.0282656  0.0630188   57  TYR   B CD2  
656  C CE1  . TYR   A 45  ? 0.395776 0.24917  0.44666   0.0275981   -0.0563687  0.0768094   57  TYR   B CE1  
657  C CE2  . TYR   A 45  ? 0.390508 0.257205 0.429138  0.00629008  -0.0287342  0.0831116   57  TYR   B CE2  
658  C CZ   . TYR   A 45  ? 0.43037  0.283133 0.45656   0.0210828   -0.0431944  0.0902773   57  TYR   B CZ   
659  O OH   . TYR   A 45  ? 0.475991 0.314187 0.466605  0.0313794   -0.0455961  0.110303    57  TYR   B OH   
660  H H    . TYR   A 45  ? 0.362323 0.198579 0.511748  0.0100865   -0.0449224  0.0419842   57  TYR   B H    
661  H HA   . TYR   A 45  ? 0.295288 0.174516 0.446638  -0.00980423 -0.0288399  0.0126798   57  TYR   B HA   
662  H HB2  . TYR   A 45  ? 0.27876  0.180011 0.389294  -0.0076932  -0.0285888  0.0241009   57  TYR   B HB2  
663  H HB3  . TYR   A 45  ? 0.286626 0.182389 0.410151  0.00450289  -0.0405577  0.020254    57  TYR   B HB3  
664  H HD1  . TYR   A 45  ? 0.347839 0.216219 0.448291  0.024169    -0.0592158  0.0478969   57  TYR   B HD1  
665  H HD2  . TYR   A 45  ? 0.321115 0.208795 0.395574  -0.00958271 -0.0205013  0.057974    57  TYR   B HD2  
666  H HE1  . TYR   A 45  ? 0.415556 0.26142  0.460974  0.0385336   -0.0678617  0.0808462   57  TYR   B HE1  
667  H HE2  . TYR   A 45  ? 0.39115  0.26002  0.417325  0.00221608  -0.0194538  0.0916782   57  TYR   B HE2  
669  N N    . LYS   A 46  ? 0.323293 0.194819 0.46017   -0.0261595  -0.0154822  0.0373381   58  LYS   B N    
670  C CA   . LYS   A 46  ? 0.387821 0.258622 0.520213  -0.0358942  -0.00521941 0.0523808   58  LYS   B CA   
671  C C    . LYS   A 46  ? 0.354994 0.253376 0.47089   -0.0381099  -0.000515   0.0483374   58  LYS   B C    
672  O O    . LYS   A 46  ? 0.340551 0.25631  0.458502  -0.038544   -0.00302246 0.0305781   58  LYS   B O    
673  C CB   . LYS   A 46  ? 0.441729 0.305803 0.604973  -0.050102   0.00019066  0.0468295   58  LYS   B CB   
674  C CG   . LYS   A 46  ? 0.473423 0.33265  0.662057  -0.0521353  -0.00619854 0.0237639   58  LYS   B CG   
675  C CD   . LYS   A 46  ? 0.439652 0.280177 0.659538  -0.0651765  -0.00308376 0.0233978   58  LYS   B CD   
676  C CE   . LYS   A 46  ? 0.461559 0.312239 0.704829  -0.0737232  -0.00726341 -0.00417325 58  LYS   B CE   
677  N NZ   . LYS   A 46  ? 0.43027  0.255198 0.708217  -0.0835718  -0.00910257 -0.0111907  58  LYS   B NZ   
678  H H    . LYS   A 46  ? 0.314408 0.198384 0.456696  -0.0278185  -0.0156975  0.022874    58  LYS   B H    
679  H HA   . LYS   A 46  ? 0.400932 0.258762 0.52081   -0.031592   -0.00434923 0.0690513   58  LYS   B HA   
680  H HB2  . LYS   A 46  ? 0.426732 0.307369 0.590325  -0.0568072  0.00542801  0.0450133   58  LYS   B HB2  
681  H HB3  . LYS   A 46  ? 0.461646 0.307487 0.628435  -0.0522271  0.0039247   0.0617246   58  LYS   B HB3  
682  H HG2  . LYS   A 46  ? 0.454917 0.304221 0.642446  -0.0431972  -0.0117324  0.0218299   58  LYS   B HG2  
683  H HG3  . LYS   A 46  ? 0.431478 0.30934  0.617843  -0.0532098  -0.00710608 0.00979589  58  LYS   B HG3  
684  H HD2  . LYS   A 46  ? 0.465788 0.30761  0.685557  -0.0721522  0.00438274  0.0374618   58  LYS   B HD2  
685  H HD3  . LYS   A 46  ? 0.478586 0.295991 0.704817  -0.0610505  -0.00564744 0.028653    58  LYS   B HD3  
686  H HE2  . LYS   A 46  ? 0.428996 0.28597  0.664572  -0.0659203  -0.0121215  -0.0178757  58  LYS   B HE2  
687  H HE3  . LYS   A 46  ? 0.427193 0.297356 0.669285  -0.0797759  -0.00450748 -0.00584147 58  LYS   B HE3  
688  H HZ1  . LYS   A 46  ? 0.458406 0.265891 0.738467  -0.0765679  -0.0128151  -0.0135637  58  LYS   B HZ1  
689  H HZ2  . LYS   A 46  ? 0.460969 0.277112 0.747555  -0.0911302  -0.00316466 0.00376944  58  LYS   B HZ2  
690  H HZ3  . LYS   A 46  ? 0.442484 0.277158 0.731627  -0.0887779  -0.0125509  -0.0284631  58  LYS   B HZ3  
691  N N    . GLY   A 47  ? 0.330044 0.231057 0.426323  -0.0377073  0.00717872  0.0658557   59  GLY   B N    
692  C CA   . GLY   A 47  ? 0.295253 0.219302 0.372414  -0.0358874  0.0110858   0.0635764   59  GLY   B CA   
693  C C    . GLY   A 47  ? 0.284681 0.216627 0.362754  -0.042997   0.0255301   0.0773019   59  GLY   B C    
694  O O    . GLY   A 47  ? 0.320968 0.236906 0.407776  -0.0485236  0.0337732   0.0936403   59  GLY   B O    
695  H H    . GLY   A 47  ? 0.355652 0.242502 0.449507  -0.0378144  0.0107916   0.0800024   59  GLY   B H    
696  H HA2  . GLY   A 47  ? 0.275039 0.21138  0.360042  -0.0380998  0.00863193  0.04939     59  GLY   B HA2  
697  H HA3  . GLY   A 47  ? 0.296429 0.218762 0.352657  -0.0270449  0.00676881  0.0666906   59  GLY   B HA3  
698  N N    . LYS   A 48  ? 0.285931 0.242305 0.358461  -0.043007   0.0296478   0.070755    60  LYS   B N    
699  C CA   . LYS   A 48  ? 0.291747 0.262072 0.366332  -0.0473874  0.0446573   0.0822478   60  LYS   B CA   
700  C C    . LYS   A 48  ? 0.284126 0.277772 0.341928  -0.0398068  0.0452741   0.0741508   60  LYS   B C    
701  O O    . LYS   A 48  ? 0.266125 0.264972 0.317078  -0.0347196  0.0345536   0.0589695   60  LYS   B O    
702  C CB   . LYS   A 48  ? 0.295355 0.2759   0.413126  -0.0632662  0.0502454   0.0775114   60  LYS   B CB   
703  C CG   . LYS   A 48  ? 0.279343 0.275144 0.41387   -0.0655346  0.0381325   0.0532302   60  LYS   B CG   
704  C CD   . LYS   A 48  ? 0.302977 0.310479 0.480693  -0.0805474  0.0405249   0.0461437   60  LYS   B CD   
705  C CE   . LYS   A 48  ? 0.320187 0.343394 0.514281  -0.082661   0.0277317   0.0219883   60  LYS   B CE   
706  N NZ   . LYS   A 48  ? 0.330208 0.369475 0.570013  -0.0978327  0.0305544   0.0168863   60  LYS   B NZ   
707  H H    . LYS   A 48  ? 0.263674 0.228157 0.331961  -0.0397318  0.0235817   0.0591404   60  LYS   B H    
708  H HA   . LYS   A 48  ? 0.318247 0.27691  0.377921  -0.0443378  0.0508567   0.0976953   60  LYS   B HA   
709  H HB2  . LYS   A 48  ? 0.301848 0.29608  0.425259  -0.0663946  0.0610962   0.0843122   60  LYS   B HB2  
710  H HB3  . LYS   A 48  ? 0.311505 0.274643 0.441562  -0.0687499  0.0510396   0.0834297   60  LYS   B HB3  
711  H HG2  . LYS   A 48  ? 0.278417 0.261423 0.408884  -0.0628045  0.0296023   0.0465182   60  LYS   B HG2  
712  H HG3  . LYS   A 48  ? 0.269301 0.279778 0.390637  -0.05938    0.0370964   0.0485362   60  LYS   B HG3  
713  H HD2  . LYS   A 48  ? 0.309123 0.330787 0.494044  -0.0834761  0.0504538   0.0539546   60  LYS   B HD2  
714  H HD3  . LYS   A 48  ? 0.320709 0.310355 0.511473  -0.0868432  0.0420597   0.0514559   60  LYS   B HD3  
715  H HE2  . LYS   A 48  ? 0.312447 0.321672 0.504575  -0.0816131  0.0200608   0.0137953   60  LYS   B HE2  
716  H HE3  . LYS   A 48  ? 0.299656 0.336862 0.478099  -0.0750875  0.0251594   0.0172809   60  LYS   B HE3  
717  H HZ1  . LYS   A 48  ? 0.343157 0.367453 0.598132  -0.105639   0.0346893   0.0233019   60  LYS   B HZ1  
718  H HZ2  . LYS   A 48  ? 0.327044 0.383324 0.57111   -0.0981551  0.0379082   0.0228799   60  LYS   B HZ2  
719  H HZ3  . LYS   A 48  ? 0.322416 0.369598 0.571875  -0.0987832  0.020607    0.00083652  60  LYS   B HZ3  
720  N N    . LEU   A 49  ? 0.284691 0.29168  0.337578  -0.0390216  0.0597241   0.0850172   61  LEU   B N    
721  C CA   . LEU   A 49  ? 0.304827 0.335822 0.350088  -0.0320392  0.0618829   0.0765753   61  LEU   B CA   
722  C C    . LEU   A 49  ? 0.303296 0.354015 0.384408  -0.0405961  0.0561527   0.0606217   61  LEU   B C    
723  O O    . LEU   A 49  ? 0.302131 0.354864 0.416761  -0.0535194  0.0583566   0.0606015   61  LEU   B O    
724  C CB   . LEU   A 49  ? 0.302967 0.346762 0.340837  -0.0292597  0.0816182   0.0913984   61  LEU   B CB   
725  C CG   . LEU   A 49  ? 0.355204 0.378844 0.349715  -0.0184715  0.0876801   0.107791    61  LEU   B CG   
726  C CD1  . LEU   A 49  ? 0.39477  0.435715 0.37992   -0.0139943  0.110334    0.119987    61  LEU   B CD1  
727  C CD2  . LEU   A 49  ? 0.365208 0.3767   0.32201   -0.00391428 0.0719946   0.0981926   61  LEU   B CD2  
728  H H    . LEU   A 49  ? 0.313943 0.314717 0.368404  -0.0422881  0.0693136   0.0983148   61  LEU   B H    
729  H HA   . LEU   A 49  ? 0.292381 0.317484 0.314857  -0.0231525  0.0538633   0.0710875   61  LEU   B HA   
730  H HB2  . LEU   A 49  ? 0.317882 0.368253 0.382867  -0.0397179  0.0904933   0.097018    61  LEU   B HB2  
731  H HB3  . LEU   A 49  ? 0.303208 0.363963 0.339374  -0.0237239  0.0825652   0.0841947   61  LEU   B HB3  
732  H HG   . LEU   A 49  ? 0.370052 0.377038 0.367383  -0.0234608  0.0881996   0.11749     61  LEU   B HG   
733  H HD11 . LEU   A 49  ? 0.392154 0.443008 0.406533  -0.0247663  0.121653    0.12625     61  LEU   B HD11 
734  H HD12 . LEU   A 49  ? 0.416048 0.442894 0.370002  -0.00653265 0.114709    0.131117    61  LEU   B HD12 
735  H HD13 . LEU   A 49  ? 0.378559 0.434671 0.360096  -0.00728884 0.109298    0.110072    61  LEU   B HD13 
736  H HD21 . LEU   A 49  ? 0.351811 0.351468 0.313398  -0.00627859 0.0600551   0.0931271   61  LEU   B HD21 
737  H HD22 . LEU   A 49  ? 0.347253 0.371618 0.304163  5.82e-05    0.0699417   0.0877156   61  LEU   B HD22 
738  H HD23 . LEU   A 49  ? 0.385501 0.387805 0.313637  0.004264    0.0756787   0.107103    61  LEU   B HD23 
739  N N    . SER   A 50  ? 0.272294 0.336522 0.34536   -0.0326308  0.0485591   0.0473965   62  SER   B N    
740  C CA   . SER   A 50  ? 0.338975 0.422813 0.437487  -0.0363628  0.0410075   0.0323943   62  SER   B CA   
741  C C    . SER   A 50  ? 0.310286 0.418937 0.449412  -0.0467509  0.0506109   0.0347671   62  SER   B C    
742  O O    . SER   A 50  ? 0.333143 0.45208  0.503864  -0.0557986  0.042426    0.0227931   62  SER   B O    
743  C CB   . SER   A 50  ? 0.328754 0.422723 0.406504  -0.0225658  0.0353446   0.0239565   62  SER   B CB   
744  O OG   . SER   A 50  ? 0.537652 0.643943 0.632073  -0.0242558  0.0241713   0.00964222  62  SER   B OG   
745  H H    . SER   A 50  ? 0.294294 0.35388  0.343165  -0.0236048  0.0473017   0.0478397   62  SER   B H    
746  H HA   . SER   A 50  ? 0.310565 0.384825 0.414501  -0.0405926  0.0328286   0.025457    62  SER   B HA   
747  H HB2  . SER   A 50  ? 0.368015 0.446186 0.421858  -0.0169274  0.0316045   0.02404     62  SER   B HB2  
748  H HB3  . SER   A 50  ? 0.375647 0.482631 0.453583  -0.018091   0.042959    0.0280777   62  SER   B HB3  
750  N N    . ASN   A 51  ? 0.302828 0.422413 0.441544  -0.0449237  0.0677761   0.0485268   63  ASN   B N    
751  C CA   . ASN   A 51  ? 0.350026 0.497857 0.530074  -0.0543503  0.0821421   0.0531737   63  ASN   B CA   
752  C C    . ASN   A 51  ? 0.372031 0.506885 0.579855  -0.0724179  0.0926198   0.0656811   63  ASN   B C    
753  O O    . ASN   A 51  ? 0.397736 0.554753 0.647936  -0.0841735  0.105328    0.0695275   63  ASN   B O    
754  C CB   . ASN   A 51  ? 0.318008 0.481091 0.482419  -0.0437417  0.101152    0.0648404   63  ASN   B CB   
755  H H    . ASN   A 51  ? 0.323181 0.432492 0.433578  -0.0368033  0.0714376   0.0552102   63  ASN   B H    
756  H HA   . ASN   A 51  ? 0.321741 0.488653 0.52484   -0.055787   0.0739843   0.0406447   63  ASN   B HA   
759  N N    . GLY   A 52  ? 0.444819 0.543841 0.633506  -0.07493    0.0872459   0.0717648   64  GLY   B N    
760  C CA   . GLY   A 52  ? 0.415655 0.494406 0.628509  -0.0904871  0.094709    0.0836316   64  GLY   B CA   
761  C C    . GLY   A 52  ? 0.456896 0.52341  0.651882  -0.0900587  0.117879    0.111482    64  GLY   B C    
762  O O    . GLY   A 52  ? 0.528929 0.58037  0.747032  -0.103749   0.129309    0.125793    64  GLY   B O    
763  H H    . GLY   A 52  ? 0.409238 0.495413 0.569629  -0.0660292  0.0784321   0.0683723   64  GLY   B H    
764  H HA2  . GLY   A 52  ? 0.427281 0.484455 0.630052  -0.0896971  0.0838235   0.0797089   64  GLY   B HA2  
765  H HA3  . GLY   A 52  ? 0.42581  0.519157 0.6778    -0.101949   0.0950214   0.0768205   64  GLY   B HA3  
766  N N    . LYS   A 53  ? 0.451024 0.524444 0.606272  -0.0746337  0.126743    0.119542    65  LYS   B N    
767  C CA   . LYS   A 53  ? 0.482938 0.553245 0.62453   -0.0743755  0.153094    0.145181    65  LYS   B CA   
768  C C    . LYS   A 53  ? 0.499864 0.52771  0.596264  -0.0672591  0.151824    0.163708    65  LYS   B C    
769  O O    . LYS   A 53  ? 0.539201 0.55343  0.623102  -0.0691121  0.172532    0.188796    65  LYS   B O    
770  C CB   . LYS   A 53  ? 0.492777 0.595031 0.620916  -0.0619901  0.166709    0.143951    65  LYS   B CB   
771  H H    . LYS   A 53  ? 0.437211 0.515652 0.572549  -0.0640883  0.117306    0.109561    65  LYS   B H    
772  H HA   . LYS   A 53  ? 0.491814 0.568545 0.670684  -0.0887021  0.163894    0.150904    65  LYS   B HA   
775  N N    . LYS   A 54  ? 0.449009 0.454585 0.524343  -0.059768   0.127808    0.152724    66  LYS   B N    
776  C CA   . LYS   A 54  ? 0.466091 0.434046 0.506482  -0.0521269  0.121924    0.167383    66  LYS   B CA   
777  C C    . LYS   A 54  ? 0.48262  0.435833 0.539353  -0.0547574  0.0981912   0.150191    66  LYS   B C    
778  O O    . LYS   A 54  ? 0.41541  0.38598  0.483992  -0.0542439  0.084791    0.127255    66  LYS   B O    
779  C CB   . LYS   A 54  ? 0.529351 0.491379 0.50948   -0.0308389  0.118933    0.171973    66  LYS   B CB   
780  H H    . LYS   A 54  ? 0.42825  0.443549 0.51195   -0.0587268  0.114855    0.135601    66  LYS   B H    
781  H HA   . LYS   A 54  ? 0.51136  0.467183 0.559301  -0.0591358  0.135117    0.184701    66  LYS   B HA   
784  N N    . PHE   A 55  ? 0.493958 0.414519 0.548766  -0.0559107  0.0947136   0.16261     67  PHE   B N    
785  C CA   . PHE   A 55  ? 0.57202  0.475312 0.643519  -0.0570993  0.0753774   0.148804    67  PHE   B CA   
786  C C    . PHE   A 55  ? 0.567477 0.43951  0.606456  -0.0429488  0.0649354   0.160696    67  PHE   B C    
787  O O    . PHE   A 55  ? 0.61474  0.469345 0.624771  -0.0368403  0.0754739   0.185557    67  PHE   B O    
788  C CB   . PHE   A 55  ? 0.550406 0.437762 0.665797  -0.074067   0.0806529   0.152565    67  PHE   B CB   
789  C CG   . PHE   A 55  ? 0.576784 0.493723 0.736655  -0.0900652  0.0849642   0.135751    67  PHE   B CG   
790  C CD1  . PHE   A 55  ? 0.604361 0.54493  0.777888  -0.0985153  0.104958    0.145753    67  PHE   B CD1  
791  C CD2  . PHE   A 55  ? 0.606365 0.529544 0.793844  -0.0950512  0.0686264   0.108945    67  PHE   B CD2  
792  C CE1  . PHE   A 55  ? 0.60264  0.573896 0.822503  -0.11241    0.106094    0.12887     67  PHE   B CE1  
793  C CE2  . PHE   A 55  ? 0.63543  0.58659  0.861504  -0.10786    0.0690535   0.0921459   67  PHE   B CE2  
794  C CZ   . PHE   A 55  ? 0.604605 0.580331 0.849454  -0.11673    0.0863141   0.101752    67  PHE   B CZ   
795  H H    . PHE   A 55  ? 0.546461 0.453984 0.587854  -0.0549046  0.105761    0.1814      67  PHE   B H    
796  H HA   . PHE   A 55  ? 0.507953 0.425973 0.585312  -0.05575    0.0651453   0.130014    67  PHE   B HA   
797  H HB2  . PHE   A 55  ? 0.601453 0.474067 0.711262  -0.0762531  0.0931731   0.17311     67  PHE   B HB2  
798  H HB3  . PHE   A 55  ? 0.567319 0.439037 0.688368  -0.0719233  0.0683471   0.145069    67  PHE   B HB3  
799  H HD1  . PHE   A 55  ? 0.625705 0.561891 0.778059  -0.094382   0.117792    0.163936    67  PHE   B HD1  
800  H HD2  . PHE   A 55  ? 0.597646 0.506979 0.777462  -0.0890204  0.0572257   0.10188     67  PHE   B HD2  
801  H HE1  . PHE   A 55  ? 0.608077 0.597725 0.841588  -0.117881   0.119799    0.135218    67  PHE   B HE1  
802  H HE2  . PHE   A 55  ? 0.600002 0.554338 0.840147  -0.10989    0.0575119   0.0738718   67  PHE   B HE2  
803  H HZ   . PHE   A 55  ? 0.59257  0.58942  0.866146  -0.124532   0.0845746   0.0892526   67  PHE   B HZ   
804  N N    . ASP   A 56  ? 0.494912 0.359527 0.542677  -0.0384032  0.0456829   0.143894    68  ASP   B N    
805  C CA   . ASP   A 56  ? 0.523401 0.36487  0.545553  -0.0225944  0.031249    0.150239    68  ASP   B CA   
806  C C    . ASP   A 56  ? 0.530544 0.365021 0.582413  -0.0232084  0.0160717   0.131551    68  ASP   B C    
807  O O    . ASP   A 56  ? 0.499889 0.354417 0.572093  -0.0289094  0.012138    0.10902     68  ASP   B O    
808  C CB   . ASP   A 56  ? 0.522342 0.376633 0.5072    -0.00700684 0.0201917   0.143515    68  ASP   B CB   
809  C CG   . ASP   A 56  ? 0.632822 0.467919 0.595429  0.0100424   0.00173717  0.147429    68  ASP   B CG   
810  O OD1  . ASP   A 56  ? 0.656499 0.463152 0.607881  0.0156719   0.00241363  0.168596    68  ASP   B OD1  
811  O OD2  . ASP   A 56  ? 0.585884 0.434036 0.544459  0.0178136   -0.013688   0.129686    68  ASP   B OD2  
812  H H    . ASP   A 56  ? 0.485645 0.360945 0.556157  -0.0445393  0.0413753   0.127809    68  ASP   B H    
813  H HA   . ASP   A 56  ? 0.563111 0.384451 0.574922  -0.0208057  0.0371612   0.169418    68  ASP   B HA   
814  H HB2  . ASP   A 56  ? 0.549871 0.409218 0.513399  -0.00514187 0.0300281   0.153474    68  ASP   B HB2  
815  H HB3  . ASP   A 56  ? 0.50708  0.378715 0.503267  -0.00951586 0.0155693   0.126021    68  ASP   B HB3  
816  N N    . SER   A 57  ? 0.56272  0.368109 0.614235  -0.0151109  0.00772157  0.141286    69  SER   B N    
817  C CA   . SER   A 57  ? 0.551867 0.350435 0.631792  -0.0127624  -0.00572215 0.123233    69  SER   B CA   
818  C C    . SER   A 57  ? 0.595108 0.371794 0.659102  0.00590352  -0.02087    0.132819    69  SER   B C    
819  O O    . SER   A 57  ? 0.622259 0.373948 0.661794  0.0130368   -0.0185116  0.158529    69  SER   B O    
820  C CB   . SER   A 57  ? 0.642477 0.424246 0.759991  -0.0268891  0.00140127  0.121204    69  SER   B CB   
821  O OG   . SER   A 57  ? 0.658558 0.435546 0.802524  -0.0233683  -0.0103963  0.0998913   69  SER   B OG   
822  H H    . SER   A 57  ? 0.593301 0.382462 0.62573   -0.00984881 0.0107617   0.159684    69  SER   B H    
823  H HA   . SER   A 57  ? 0.535217 0.354221 0.620631  -0.013159   -0.0100917  0.105414    69  SER   B HA   
824  H HB2  . SER   A 57  ? 0.613176 0.410065 0.741465  -0.0384634  0.00980916  0.115669    69  SER   B HB2  
825  H HB3  . SER   A 57  ? 0.661132 0.419687 0.774689  -0.0266845  0.0060746   0.139835    69  SER   B HB3  
827  N N    . SER   A 58  ? 0.545002 0.331471 0.624591  0.0139915   -0.0355683  0.112449    70  SER   B N    
828  C CA   . SER   A 58  ? 0.563581 0.332259 0.643319  0.0316581   -0.0523141  0.116207    70  SER   B CA   
829  C C    . SER   A 58  ? 0.658735 0.388021 0.748021  0.0325235   -0.0494156  0.134316    70  SER   B C    
830  O O    . SER   A 58  ? 0.662658 0.367089 0.732055  0.0488899   -0.0596447  0.153319    70  SER   B O    
831  C CB   . SER   A 58  ? 0.503845 0.290572 0.6127    0.0367638   -0.0634506  0.089997    70  SER   B CB   
832  O OG   . SER   A 58  ? 0.473486 0.265714 0.614074  0.0241385   -0.0544241  0.0717362   70  SER   B OG   
833  H H    . SER   A 58  ? 0.520483 0.326006 0.611733  0.00888004  -0.034837   0.0959548   70  SER   B H    
834  H HA   . SER   A 58  ? 0.58091  0.350434 0.633211  0.0411763   -0.0584322  0.125641    70  SER   B HA   
835  H HB2  . SER   A 58  ? 0.52752  0.301913 0.64228   0.0486294   -0.0742196  0.0925383   70  SER   B HB2  
836  H HB3  . SER   A 58  ? 0.488956 0.296413 0.588714  0.0383272   -0.066834   0.0823793   70  SER   B HB3  
838  N N    . HIS   A 59  ? 0.649716 0.372005 0.769876  0.0159561   -0.0374595  0.127195    71  HIS   B N    
839  C CA   . HIS   A 59  ? 0.689111 0.370572 0.827108  0.014014    -0.0342879  0.140793    71  HIS   B CA   
840  C C    . HIS   A 59  ? 0.750594 0.402365 0.857436  0.0155251   -0.0249378  0.177736    71  HIS   B C    
841  O O    . HIS   A 59  ? 0.794954 0.407221 0.901878  0.0240563   -0.0284237  0.195735    71  HIS   B O    
842  C CB   . HIS   A 59  ? 0.667055 0.348981 0.843971  -0.00629495 -0.0238962  0.123555    71  HIS   B CB   
843  C CG   . HIS   A 59  ? 0.642025 0.349064 0.842049  -0.00527642 -0.0315489  0.0890928   71  HIS   B CG   
844  N ND1  . HIS   A 59  ? 0.639357 0.338851 0.852801  0.0112247   -0.0449182  0.0770378   71  HIS   B ND1  
845  C CD2  . HIS   A 59  ? 0.624634 0.365748 0.831516  -0.0151377  -0.0277693  0.0659255   71  HIS   B CD2  
846  C CE1  . HIS   A 59  ? 0.590109 0.316374 0.820181  0.00937428  -0.045893   0.0476683   71  HIS   B CE1  
847  N NE2  . HIS   A 59  ? 0.572486 0.321966 0.796127  -0.00599476 -0.036305   0.0414911   71  HIS   B NE2  
848  H H    . HIS   A 59  ? 0.620092 0.362055 0.750664  0.00604815  -0.0321223  0.113177    71  HIS   B H    
849  H HA   . HIS   A 59  ? 0.699272 0.370438 0.845986  0.026466    -0.0461553  0.135847    71  HIS   B HA   
850  H HB2  . HIS   A 59  ? 0.66294  0.357194 0.835258  -0.0183999  -0.0130147  0.127704    71  HIS   B HB2  
851  H HB3  . HIS   A 59  ? 0.702534 0.35489  0.8938    -0.00774848 -0.0226615  0.131291    71  HIS   B HB3  
853  H HD2  . HIS   A 59  ? 0.597487 0.352458 0.800524  -0.0257749  -0.0202459  0.0662346   71  HIS   B HD2  
854  H HE1  . HIS   A 59  ? 0.592127 0.320967 0.835515  0.0185888   -0.0519903  0.0341769   71  HIS   B HE1  
856  N N    . ASP   A 60  ? 0.796393 0.466554 0.874577  0.00880223  -0.0121263  0.189472    72  ASP   B N    
857  C CA   . ASP   A 60  ? 0.941538 0.590181 0.980315  0.0125058   -0.00024221 0.224594    72  ASP   B CA   
858  C C    . ASP   A 60  ? 1.01413  0.635799 1.01767   0.0387383   -0.0180005  0.242074    72  ASP   B C    
859  O O    . ASP   A 60  ? 1.02716  0.612295 1.00417   0.0448111   -0.0107185  0.274437    72  ASP   B O    
860  C CB   . ASP   A 60  ? 0.924128 0.605677 0.933911  0.00766663  0.0121251   0.226578    72  ASP   B CB   
861  C CG   . ASP   A 60  ? 0.870382 0.57881  0.911552  -0.0160118  0.0301042   0.214243    72  ASP   B CG   
862  O OD1  . ASP   A 60  ? 0.863512 0.558195 0.946502  -0.0319546  0.0372389   0.21147     72  ASP   B OD1  
863  O OD2  . ASP   A 60  ? 0.695944 0.437976 0.720978  -0.0175722  0.0354625   0.206543    72  ASP   B OD2  
864  H H    . ASP   A 60  ? 0.767126 0.464684 0.849606  0.00224965  -0.00982497 0.17473     72  ASP   B H    
865  H HA   . ASP   A 60  ? 0.948071 0.576693 1.00288   0.00129135  0.0121293   0.23622     72  ASP   B HA   
866  H HB2  . ASP   A 60  ? 0.896136 0.596533 0.892627  0.0173089   -0.00014358 0.213589    72  ASP   B HB2  
867  H HB3  . ASP   A 60  ? 0.957227 0.62389  0.936913  0.0125868   0.0202457   0.249925    72  ASP   B HB3  
868  N N    . ARG   A 61  ? 0.996564 0.63687  1.00065   0.0547634   -0.0415158  0.220973    73  ARG   B N    
869  C CA   . ARG   A 61  ? 0.964966 0.589079 0.939703  0.0815572   -0.0637961  0.231675    73  ARG   B CA   
870  C C    . ARG   A 61  ? 0.960579 0.563589 0.972121  0.0925024   -0.080151   0.223106    73  ARG   B C    
871  O O    . ARG   A 61  ? 1.00087  0.586954 0.994493  0.116355    -0.10036    0.233073    73  ARG   B O    
872  C CB   . ARG   A 61  ? 0.886574 0.54734  0.835511  0.0921665   -0.0784294  0.216273    73  ARG   B CB   
873  H H    . ARG   A 61  ? 0.931286 0.596516 0.955507  0.0487972   -0.0438206  0.199024    73  ARG   B H    
874  H HA   . ARG   A 61  ? 1.01005  0.610322 0.953988  0.0863634   -0.057505   0.257309    73  ARG   B HA   
877  N N    . ASN   A 62  ? 0.843405 0.445409 0.904644  0.0773575   -0.0724888  0.204861    74  ASN   B N    
878  C CA   . ASN   A 62  ? 0.809337 0.385998 0.905827  0.0877066   -0.084287   0.197381    74  ASN   B CA   
879  C C    . ASN   A 62  ? 0.784117 0.387871 0.898082  0.10677     -0.107672   0.172348    74  ASN   B C    
880  O O    . ASN   A 62  ? 0.824149 0.408245 0.959558  0.12363     -0.121826   0.169772    74  ASN   B O    
881  C CB   . ASN   A 62  ? 0.865651 0.385738 0.944304  0.0969451   -0.0826822  0.232865    74  ASN   B CB   
882  H H    . ASN   A 62  ? 0.823692 0.441468 0.896596  0.0612043   -0.0602737  0.195685    74  ASN   B H    
883  H HA   . ASN   A 62  ? 0.79531  0.374007 0.921697  0.0733949   -0.0751108  0.183549    74  ASN   B HA   
886  N N    . GLU   A 63  ? 0.783296 0.433685 0.897566  0.102947    -0.110529   0.150528    75  GLU   B N    
887  C CA   . GLU   A 63  ? 0.73047  0.409182 0.866992  0.118583    -0.130244   0.127656    75  GLU   B CA   
888  C C    . GLU   A 63  ? 0.603304 0.328118 0.749691  0.103936    -0.122756   0.102705    75  GLU   B C    
889  O O    . GLU   A 63  ? 0.572244 0.307535 0.692615  0.0894986   -0.109961   0.108266    75  GLU   B O    
890  C CB   . GLU   A 63  ? 0.792496 0.467526 0.898333  0.14321     -0.15406    0.142128    75  GLU   B CB   
891  C CG   . GLU   A 63  ? 0.890899 0.578905 0.946183  0.139391    -0.151644   0.153846    75  GLU   B CG   
892  C CD   . GLU   A 63  ? 0.991091 0.667923 0.995463  0.161627    -0.171376   0.17382     75  GLU   B CD   
893  O OE1  . GLU   A 63  ? 0.948508 0.643273 0.916535  0.157194    -0.168496   0.174554    75  GLU   B OE1  
894  O OE2  . GLU   A 63  ? 1.03161  0.682136 1.02922   0.184168    -0.189869   0.187645    75  GLU   B OE2  
895  H H    . GLU   A 63  ? 0.743628 0.408218 0.846262  0.0901799   -0.0994872  0.150108    75  GLU   B H    
896  H HA   . GLU   A 63  ? 0.728486 0.398572 0.895527  0.122889    -0.132804   0.118071    75  GLU   B HA   
897  H HB2  . GLU   A 63  ? 0.790112 0.485756 0.918715  0.152561    -0.167353   0.125356    75  GLU   B HB2  
898  H HB3  . GLU   A 63  ? 0.848422 0.491388 0.945175  0.153564    -0.158483   0.159866    75  GLU   B HB3  
899  H HG2  . GLU   A 63  ? 0.877791 0.554504 0.92028   0.12587     -0.133924   0.164874    75  GLU   B HG2  
900  H HG3  . GLU   A 63  ? 0.835629 0.554625 0.902352  0.132509    -0.151325   0.135131    75  GLU   B HG3  
901  N N    . PRO   A 64  ? 0.54988  0.304142 0.732904  0.108035    -0.129491   0.075711    76  PRO   B N    
902  C CA   . PRO   A 64  ? 0.50885  0.303391 0.696444  0.0956248   -0.122511   0.0561146   76  PRO   B CA   
903  C C    . PRO   A 64  ? 0.487917 0.296609 0.639686  0.0986452   -0.131603   0.0644032   76  PRO   B C    
904  O O    . PRO   A 64  ? 0.49384  0.28994  0.624214  0.115746    -0.149548   0.0785868   76  PRO   B O    
905  C CB   . PRO   A 64  ? 0.492258 0.311665 0.725069  0.103747    -0.129145   0.0310433   76  PRO   B CB   
906  C CG   . PRO   A 64  ? 0.526835 0.319737 0.783757  0.11889     -0.13684    0.0331591   76  PRO   B CG   
907  C CD   . PRO   A 64  ? 0.588818 0.340629 0.809646  0.126105    -0.143563   0.0641105   76  PRO   B CD   
908  H HA   . PRO   A 64  ? 0.487753 0.283104 0.674722  0.0812677   -0.107779   0.0529369   76  PRO   B HA   
909  H HB2  . PRO   A 64  ? 0.486895 0.323937 0.720658  0.110704    -0.140568   0.0275682   76  PRO   B HB2  
910  H HB3  . PRO   A 64  ? 0.464834 0.29913  0.710452  0.0927179   -0.1167     0.0170589   76  PRO   B HB3  
911  H HG2  . PRO   A 64  ? 0.529946 0.336153 0.808695  0.13167     -0.14871    0.0244246   76  PRO   B HG2  
912  H HG3  . PRO   A 64  ? 0.522418 0.310005 0.795743  0.111978    -0.125498   0.0238224   76  PRO   B HG3  
913  H HD2  . PRO   A 64  ? 0.599349 0.350163 0.812177  0.141233    -0.159944   0.0712248   76  PRO   B HD2  
914  H HD3  . PRO   A 64  ? 0.600315 0.326596 0.830933  0.127034    -0.139697   0.0683623   76  PRO   B HD3  
915  N N    . PHE   A 65  ? 0.433008 0.264129 0.575517  0.0831692   -0.119446   0.0557859   77  PHE   B N    
916  C CA   . PHE   A 65  ? 0.439534 0.287947 0.553959  0.0840243   -0.126453   0.0561456   77  PHE   B CA   
917  C C    . PHE   A 65  ? 0.418212 0.298138 0.565528  0.087333    -0.137585   0.0330593   77  PHE   B C    
918  O O    . PHE   A 65  ? 0.342897 0.240902 0.522498  0.0772235   -0.125551   0.0156607   77  PHE   B O    
919  C CB   . PHE   A 65  ? 0.424747 0.279652 0.514977  0.0671353   -0.107966   0.0586418   77  PHE   B CB   
920  C CG   . PHE   A 65  ? 0.420547 0.290705 0.482347  0.0690894   -0.115034   0.0564651   77  PHE   B CG   
921  C CD1  . PHE   A 65  ? 0.526506 0.385265 0.552264  0.0840272   -0.130527   0.0695184   77  PHE   B CD1  
922  C CD2  . PHE   A 65  ? 0.410569 0.304269 0.480924  0.0575691   -0.107423   0.0402337   77  PHE   B CD2  
923  C CE1  . PHE   A 65  ? 0.537081 0.408133 0.535692  0.0866441   -0.138225   0.064066    77  PHE   B CE1  
924  C CE2  . PHE   A 65  ? 0.421753 0.325522 0.468087  0.059633    -0.114775   0.0365304   77  PHE   B CE2  
925  C CZ   . PHE   A 65  ? 0.466307 0.359634 0.478685  0.0740761   -0.130914   0.0464353   77  PHE   B CZ   
926  H H    . PHE   A 65  ? 0.422252 0.25725  0.576049  0.07199     -0.106609   0.0485345   77  PHE   B H    
927  H HA   . PHE   A 65  ? 0.469691 0.304505 0.560255  0.0951109   -0.137255   0.0696996   77  PHE   B HA   
928  H HB2  . PHE   A 65  ? 0.441338 0.278322 0.514953  0.0647405   -0.100421   0.0735109   77  PHE   B HB2  
929  H HB3  . PHE   A 65  ? 0.397267 0.263555 0.507832  0.0573102   -0.0981024  0.0464269   77  PHE   B HB3  
930  H HD1  . PHE   A 65  ? 0.538992 0.379437 0.55561   0.0929461   -0.135559   0.0825473   77  PHE   B HD1  
931  H HD2  . PHE   A 65  ? 0.385027 0.285989 0.475649  0.0488277   -0.0972259  0.0318073   77  PHE   B HD2  
932  H HE1  . PHE   A 65  ? 0.555425 0.418206 0.526036  0.0980986   -0.149585   0.0717893   77  PHE   B HE1  
933  H HE2  . PHE   A 65  ? 0.399609 0.316241 0.452209  0.0518441   -0.109206   0.0264987   77  PHE   B HE2  
934  H HZ   . PHE   A 65  ? 0.474679 0.37394  0.470048  0.0759189   -0.136544   0.0418374   77  PHE   B HZ   
935  N N    . VAL   A 66  ? 0.422347 0.30911  0.560047  0.101349    -0.160281   0.0329814   78  VAL   B N    
936  C CA   . VAL   A 66  ? 0.437247 0.354067 0.61559   0.10512     -0.173414   0.0114582   78  VAL   B CA   
937  C C    . VAL   A 66  ? 0.416829 0.348767 0.574081  0.101399    -0.181698   0.00525781  78  VAL   B C    
938  O O    . VAL   A 66  ? 0.433438 0.350985 0.545367  0.110257    -0.193333   0.0177321   78  VAL   B O    
939  C CB   . VAL   A 66  ? 0.481896 0.398614 0.68684   0.126663    -0.197859   0.00962703  78  VAL   B CB   
940  C CG1  . VAL   A 66  ? 0.478994 0.433767 0.737927  0.12812     -0.209028   -0.0150776  78  VAL   B CG1  
941  C CG2  . VAL   A 66  ? 0.510228 0.406389 0.734627  0.131935    -0.189858   0.0155787   78  VAL   B CG2  
942  H H    . VAL   A 66  ? 0.458663 0.331808 0.564939  0.108425    -0.167379   0.0460156   78  VAL   B H    
943  H HA   . VAL   A 66  ? 0.403742 0.332498 0.608391  0.0954993   -0.160058   0.00058044  78  VAL   B HA   
944  H HB   . VAL   A 66  ? 0.514501 0.419043 0.689413  0.137624    -0.21272    0.0206377   78  VAL   B HB   
945  H HG11 . VAL   A 66  ? 0.445452 0.412858 0.727825  0.116154    -0.191862   -0.025018   78  VAL   B HG11 
946  H HG12 . VAL   A 66  ? 0.474024 0.438759 0.722283  0.127401    -0.219287   -0.0190479  78  VAL   B HG12 
947  H HG13 . VAL   A 66  ? 0.488419 0.444702 0.769731  0.142013    -0.222829   -0.0170497  78  VAL   B HG13 
948  H HG21 . VAL   A 66  ? 0.51905  0.418438 0.766097  0.146096    -0.204929   0.0118607   78  VAL   B HG21 
949  H HG22 . VAL   A 66  ? 0.526262 0.396663 0.719866  0.132784    -0.186136   0.0326407   78  VAL   B HG22 
950  H HG23 . VAL   A 66  ? 0.479063 0.384007 0.724371  0.120768    -0.173452   0.00564314  78  VAL   B HG23 
951  N N    . PHE   A 67  ? 0.374646 0.332935 0.562003  0.0885714   -0.174394   -0.0135599  79  PHE   B N    
952  C CA   . PHE   A 67  ? 0.334616 0.303852 0.5057    0.0840203   -0.182485   -0.0214153  79  PHE   B CA   
953  C C    . PHE   A 67  ? 0.339786 0.339624 0.565275  0.0759579   -0.184044   -0.0437085  79  PHE   B C    
954  O O    . PHE   A 67  ? 0.326252 0.33926  0.59316   0.0699052   -0.16962    -0.0513289  79  PHE   B O    
955  C CB   . PHE   A 67  ? 0.333952 0.29176  0.46221   0.0719992   -0.163874   -0.0129785  79  PHE   B CB   
956  C CG   . PHE   A 67  ? 0.297394 0.264323 0.444659  0.0538032   -0.137492   -0.0194233  79  PHE   B CG   
957  C CD1  . PHE   A 67  ? 0.318443 0.278698 0.476047  0.0494352   -0.120429   -0.0144213  79  PHE   B CD1  
958  C CD2  . PHE   A 67  ? 0.270059 0.251611 0.429148  0.0425434   -0.131754   -0.0321109  79  PHE   B CD2  
959  C CE1  . PHE   A 67  ? 0.268902 0.237076 0.437569  0.0355737   -0.099039   -0.0210836  79  PHE   B CE1  
960  C CE2  . PHE   A 67  ? 0.2657   0.252756 0.435122  0.0285273   -0.108499   -0.0356659  79  PHE   B CE2  
961  C CZ   . PHE   A 67  ? 0.256548 0.23856  0.430037  0.0259069   -0.0930092  -0.0308728  79  PHE   B CZ   
962  H H    . PHE   A 67  ? 0.348798 0.31687  0.565992  0.0828064   -0.163898   -0.0215357  79  PHE   B H    
963  H HA   . PHE   A 67  ? 0.375168 0.338923 0.528502  0.0963896   -0.201774   -0.0179718  79  PHE   B HA   
964  H HB2  . PHE   A 67  ? 0.339644 0.300312 0.452605  0.0730127   -0.172864   -0.0173454  79  PHE   B HB2  
965  H HB3  . PHE   A 67  ? 0.348462 0.288919 0.448797  0.0763622   -0.160749   0.00154223  79  PHE   B HB3  
966  H HD1  . PHE   A 67  ? 0.320008 0.26776  0.472373  0.0563631   -0.12385    -0.00574425 79  PHE   B HD1  
967  H HD2  . PHE   A 67  ? 0.285981 0.270928 0.440679  0.0448251   -0.143974   -0.037395   79  PHE   B HD2  
968  H HE1  . PHE   A 67  ? 0.270695 0.233904 0.443908  0.0332687   -0.0892627  -0.0194113  79  PHE   B HE1  
969  H HE2  . PHE   A 67  ? 0.252665 0.246391 0.427324  0.0213301   -0.104177   -0.0422009  79  PHE   B HE2  
970  H HZ   . PHE   A 67  ? 0.241548 0.227563 0.419477  0.0178242   -0.0786138  -0.0341411  79  PHE   B HZ   
971  N N    . SER   A 68  ? 0.360704 0.371065 0.584996  0.0752651   -0.200293   -0.0546599  80  SER   B N    
972  C CA   . SER   A 68  ? 0.356096 0.394138 0.634079  0.0641433   -0.199714   -0.0748193  80  SER   B CA   
973  C C    . SER   A 68  ? 0.303174 0.336918 0.56513   0.0453548   -0.176113   -0.0751982  80  SER   B C    
974  O O    . SER   A 68  ? 0.324776 0.342281 0.539914  0.0451518   -0.178467   -0.0696875  80  SER   B O    
975  C CB   . SER   A 68  ? 0.403051 0.455509 0.698876  0.0729419   -0.23298    -0.0896652  80  SER   B CB   
976  O OG   . SER   A 68  ? 0.443185 0.497072 0.746261  0.0944046   -0.258496   -0.0873054  80  SER   B OG   
977  H H    . SER   A 68  ? 0.3804   0.379924 0.570489  0.0815639   -0.211207   -0.0497058  80  SER   B H    
978  H HA   . SER   A 68  ? 0.337949 0.387593 0.651789  0.063111    -0.191742   -0.0785132  80  SER   B HA   
979  H HB2  . SER   A 68  ? 0.41389  0.455044 0.674016  0.0736277   -0.239977   -0.0883296  80  SER   B HB2  
980  H HB3  . SER   A 68  ? 0.386249 0.458228 0.724753  0.0636014   -0.230486   -0.102956   80  SER   B HB3  
982  N N    . LEU   A 69  ? 0.29362  0.341208 0.59221   0.0314142   -0.153202   -0.0813922  81  LEU   B N    
983  C CA   . LEU   A 69  ? 0.284127 0.323914 0.563214  0.0159443   -0.129607   -0.0784917  81  LEU   B CA   
984  C C    . LEU   A 69  ? 0.352668 0.394867 0.63631   0.00811424  -0.139028   -0.0892038  81  LEU   B C    
985  O O    . LEU   A 69  ? 0.319863 0.380894 0.649667  0.00600104  -0.152441   -0.103826   81  LEU   B O    
986  C CB   . LEU   A 69  ? 0.328951 0.381505 0.641997  0.00618469  -0.103276   -0.0813259  81  LEU   B CB   
987  C CG   . LEU   A 69  ? 0.433918 0.476712 0.723013  -0.00694742 -0.0766111  -0.0755924  81  LEU   B CG   
988  C CD1  . LEU   A 69  ? 0.356261 0.381996 0.603079  -0.00503522 -0.0645529  -0.0633606  81  LEU   B CD1  
989  C CD2  . LEU   A 69  ? 0.504213 0.56523  0.835746  -0.0155034  -0.0540411  -0.0825295  81  LEU   B CD2  
990  H H    . LEU   A 69  ? 0.286208 0.348092 0.621307  0.0325011   -0.151916   -0.0872308  81  LEU   B H    
991  H HA   . LEU   A 69  ? 0.307379 0.331069 0.547626  0.0183223   -0.125235   -0.0678392  81  LEU   B HA   
992  H HB2  . LEU   A 69  ? 0.332304 0.383584 0.646708  0.0130233   -0.101605   -0.0776785  81  LEU   B HB2  
993  H HB3  . LEU   A 69  ? 0.332896 0.402787 0.686084  0.00283927  -0.10529    -0.0914442  81  LEU   B HB3  
994  H HG   . LEU   A 69  ? 0.410309 0.448457 0.689917  -0.0121073  -0.0794547  -0.077002   81  LEU   B HG   
995  H HD11 . LEU   A 69  ? 0.383844 0.398903 0.604821  0.00091163  -0.0756995  -0.0574013  81  LEU   B HD11 
996  H HD12 . LEU   A 69  ? 0.372396 0.393951 0.606129  -0.012408   -0.0511641  -0.0613333  81  LEU   B HD12 
997  H HD13 . LEU   A 69  ? 0.374766 0.404037 0.633358  -0.00196801 -0.05902    -0.0636616  81  LEU   B HD13 
998  H HD21 . LEU   A 69  ? 0.476506 0.546964 0.833143  -0.0224666  -0.0539784  -0.0889776  81  LEU   B HD21 
999  H HD22 . LEU   A 69  ? 0.470251 0.540598 0.823335  -0.00893845 -0.056532   -0.0858145  81  LEU   B HD22 
1000 H HD23 . LEU   A 69  ? 0.465913 0.519578 0.777833  -0.019963   -0.0371073  -0.0774112  81  LEU   B HD23 
1001 N N    . GLY   A 70  ? 0.403431 0.426308 0.640238  0.00597628  -0.136008   -0.0832368  82  GLY   B N    
1002 C CA   . GLY   A 70  ? 0.413699 0.43281  0.65087   -0.00132077 -0.143424   -0.0940417  82  GLY   B CA   
1003 C C    . GLY   A 70  ? 0.527803 0.545428 0.754037  0.0103874   -0.17653    -0.104419   82  GLY   B C    
1004 O O    . GLY   A 70  ? 0.593161 0.611312 0.834506  0.00392173  -0.187288   -0.119151   82  GLY   B O    
1005 H H    . GLY   A 70  ? 0.389102 0.40056  0.594305  0.00936814  -0.129329   -0.072816   82  GLY   B H    
1006 H HA2  . GLY   A 70  ? 0.427731 0.43323  0.634751  -0.00437656 -0.132371   -0.0878294  82  GLY   B HA2  
1007 H HA3  . GLY   A 70  ? 0.421884 0.452218 0.697307  -0.0114351  -0.136513   -0.101486   82  GLY   B HA3  
1008 N N    . LYS   A 71  ? 0.562052 0.575521 0.760582  0.0277465   -0.193346   -0.097371   83  LYS   B N    
1009 C CA   . LYS   A 71  ? 0.564817 0.5776   0.749007  0.0423258   -0.227415   -0.1074     83  LYS   B CA   
1010 C C    . LYS   A 71  ? 0.595159 0.583213 0.705305  0.0531138   -0.229216   -0.0973382  83  LYS   B C    
1011 O O    . LYS   A 71  ? 0.652175 0.633389 0.727643  0.0704557   -0.254369   -0.0992682  83  LYS   B O    
1012 C CB   . LYS   A 71  ? 0.545828 0.574087 0.759014  0.0559762   -0.248215   -0.108916   83  LYS   B CB   
1013 H H    . LYS   A 71  ? 0.542454 0.55202  0.728802  0.0311699   -0.183725   -0.085745   83  LYS   B H    
1014 H HA   . LYS   A 71  ? 0.569559 0.58904  0.777996  0.0354716   -0.235705   -0.122258   83  LYS   B HA   
1017 N N    . GLY   A 72  ? 0.625797 0.601848 0.71167   0.0440371   -0.201787   -0.0865371  84  GLY   B N    
1018 C CA   . GLY   A 72  ? 0.636879 0.593789 0.659947  0.0524053   -0.195525   -0.0754366  84  GLY   B CA   
1019 C C    . GLY   A 72  ? 0.623276 0.572351 0.610816  0.0669688   -0.196601   -0.0561582  84  GLY   B C    
1020 O O    . GLY   A 72  ? 0.63968  0.575435 0.57422   0.0807159   -0.203282   -0.0496189  84  GLY   B O    
1021 H H    . GLY   A 72  ? 0.588768 0.569996 0.699385  0.0325949   -0.185991   -0.0863512  84  GLY   B H    
1022 H HA2  . GLY   A 72  ? 0.613884 0.567278 0.633935  0.0437994   -0.175998   -0.0705107  84  GLY   B HA2  
1023 H HA3  . GLY   A 72  ? 0.653387 0.605195 0.659837  0.0573492   -0.209389   -0.0856971  84  GLY   B HA3  
1024 N N    . GLN   A 73  ? 0.521011 0.476861 0.53764   0.0653138   -0.190719   -0.0472314  85  GLN   B N    
1025 C CA   . GLN   A 73  ? 0.518151 0.462083 0.505336  0.0783447   -0.191794   -0.0277634  85  GLN   B CA   
1026 C C    . GLN   A 73  ? 0.47435  0.408766 0.441469  0.0704795   -0.162435   -0.0101728  85  GLN   B C    
1027 O O    . GLN   A 73  ? 0.488728 0.408927 0.42063   0.0788008   -0.157567   0.0082633   85  GLN   B O    
1028 C CB   . GLN   A 73  ? 0.514892 0.466906 0.54164   0.0838836   -0.203499   -0.027543   85  GLN   B CB   
1029 C CG   . GLN   A 73  ? 0.54588  0.512487 0.599239  0.0924492   -0.235348   -0.046798   85  GLN   B CG   
1030 C CD   . GLN   A 73  ? 0.553843 0.532206 0.652491  0.0994616   -0.246752   -0.0481418  85  GLN   B CD   
1031 O OE1  . GLN   A 73  ? 0.500642 0.473334 0.609271  0.0982025   -0.230743   -0.0353662  85  GLN   B OE1  
1032 N NE2  . GLN   A 73  ? 0.628736 0.62393  0.757119  0.107685    -0.275904   -0.0654546  85  GLN   B NE2  
1033 H H    . GLN   A 73  ? 0.512021 0.478518 0.566235  0.0564515   -0.1854     -0.0530284  85  GLN   B H    
1034 H HA   . GLN   A 73  ? 0.549244 0.484995 0.501882  0.0900682   -0.204833   -0.0262365  85  GLN   B HA   
1035 H HB2  . GLN   A 73  ? 0.490302 0.450213 0.548991  0.073439    -0.18972    -0.0294834  85  GLN   B HB2  
1036 H HB3  . GLN   A 73  ? 0.536968 0.476895 0.541549  0.0929477   -0.20412    -0.0132247  85  GLN   B HB3  
1037 H HG2  . GLN   A 73  ? 0.576769 0.53472  0.594793  0.104456    -0.250878   -0.0456345  85  GLN   B HG2  
1038 H HG3  . GLN   A 73  ? 0.528804 0.506097 0.605738  0.0820701   -0.233827   -0.0606695  85  GLN   B HG3  
1039 H HE21 . GLN   A 73  ? 0.606414 0.611514 0.766143  0.112545    -0.283652   -0.0681236  85  GLN   B HE21 
1040 H HE22 . GLN   A 73  ? 0.620563 0.617721 0.739203  0.108643    -0.288385   -0.0753616  85  GLN   B HE22 
1041 N N    . VAL   A 74  ? 0.388026 0.330586 0.379148  0.0545901   -0.143534   -0.0159507  86  VAL   B N    
1042 C CA   . VAL   A 74  ? 0.368761 0.306802 0.348312  0.0465693   -0.118641   -0.00331698 86  VAL   B CA   
1043 C C    . VAL   A 74  ? 0.365211 0.305568 0.335398  0.0388418   -0.108119   -0.0108994  86  VAL   B C    
1044 O O    . VAL   A 74  ? 0.348332 0.29253  0.331137  0.0364583   -0.117484   -0.0258188  86  VAL   B O    
1045 C CB   . VAL   A 74  ? 0.342799 0.287395 0.361394  0.0372868   -0.106674   -0.00259833 86  VAL   B CB   
1046 C CG1  . VAL   A 74  ? 0.353005 0.290175 0.378495  0.0457873   -0.113961   0.00713717  86  VAL   B CG1  
1047 C CG2  . VAL   A 74  ? 0.330476 0.290201 0.390608  0.0283834   -0.107025   -0.0197922  86  VAL   B CG2  
1048 H H    . VAL   A 74  ? 0.388099 0.339328 0.403678  0.0487838   -0.146544   -0.0280202  86  VAL   B H    
1049 H HA   . VAL   A 74  ? 0.389635 0.318558 0.342176  0.0529246   -0.116847   0.00869559  86  VAL   B HA   
1050 H HB   . VAL   A 74  ? 0.332592 0.275661 0.34402   0.0312648   -0.0918803  0.0027265   86  VAL   B HB   
1051 H HG11 . VAL   A 74  ? 0.36745  0.306648 0.398929  0.0535903   -0.130246   0.00239372  86  VAL   B HG11 
1052 H HG12 . VAL   A 74  ? 0.370373 0.296477 0.369947  0.0495107   -0.110196   0.0198565   86  VAL   B HG12 
1053 H HG13 . VAL   A 74  ? 0.338591 0.279373 0.388745  0.0403434   -0.106215   0.00530666  86  VAL   B HG13 
1054 H HG21 . VAL   A 74  ? 0.312187 0.275951 0.391805  0.0230637   -0.0967919  -0.0197115  86  VAL   B HG21 
1055 H HG22 . VAL   A 74  ? 0.322299 0.28271  0.375425  0.0234485   -0.10243    -0.0242463  86  VAL   B HG22 
1056 H HG23 . VAL   A 74  ? 0.336103 0.30043  0.410546  0.0333519   -0.121708   -0.026312   86  VAL   B HG23 
1057 N N    . ILE   A 75  ? 0.307913 0.246407 0.262943  0.0340696   -0.0886791  -0.0013868  87  ILE   B N    
1058 C CA   . ILE   A 75  ? 0.2957   0.235967 0.244272  0.0282898   -0.0777189  -0.00697097 87  ILE   B CA   
1059 C C    . ILE   A 75  ? 0.288377 0.235041 0.272448  0.0173247   -0.0750012  -0.018733   87  ILE   B C    
1060 O O    . ILE   A 75  ? 0.242157 0.195554 0.256173  0.012255    -0.0731225  -0.0196052  87  ILE   B O    
1061 C CB   . ILE   A 75  ? 0.278754 0.220627 0.21357   0.0257396   -0.0590888  0.00467261  87  ILE   B CB   
1062 C CG1  . ILE   A 75  ? 0.277159 0.223931 0.236892  0.0175443   -0.0493394  0.0106961   87  ILE   B CG1  
1063 C CG2  . ILE   A 75  ? 0.300864 0.237084 0.197703  0.0362613   -0.0573983  0.0158793   87  ILE   B CG2  
1064 C CD1  . ILE   A 75  ? 0.264296 0.21631  0.21869   0.0131248   -0.0333305  0.0179728   87  ILE   B CD1  
1065 H H    . ILE   A 75  ? 0.320461 0.256249 0.27024   0.0349072   -0.0826837  0.00902131  87  ILE   B H    
1066 H HA   . ILE   A 75  ? 0.313098 0.248846 0.242541  0.0342528   -0.0849932  -0.0113785  87  ILE   B HA   
1067 H HB   . ILE   A 75  ? 0.274618 0.218217 0.20867   0.0228856   -0.0536239  -9.202e-05  87  ILE   B HB   
1068 H HG12 . ILE   A 75  ? 0.281822 0.224599 0.242687  0.0206802   -0.0539789  0.0164542   87  ILE   B HG12 
1069 H HG13 . ILE   A 75  ? 0.258111 0.208591 0.238476  0.0123443   -0.0494871  0.00326086  87  ILE   B HG13 
1070 H HG21 . ILE   A 75  ? 0.297422 0.237648 0.189075  0.0341741   -0.0451081  0.0207272   87  ILE   B HG21 
1071 H HG22 . ILE   A 75  ? 0.312826 0.245355 0.208231  0.0388192   -0.0600285  0.0240097   87  ILE   B HG22 
1072 H HG23 . ILE   A 75  ? 0.318993 0.251088 0.198334  0.0429985   -0.0656649  0.00991982  87  ILE   B HG23 
1073 H HD11 . ILE   A 75  ? 0.261283 0.216058 0.208827  0.0131247   -0.0300909  0.0136908   87  ILE   B HD11 
1074 H HD12 . ILE   A 75  ? 0.252615 0.207837 0.225293  0.00713843  -0.0290274  0.0174009   87  ILE   B HD12 
1075 H HD13 . ILE   A 75  ? 0.27902  0.228583 0.219386  0.0166938   -0.0306736  0.0271336   87  ILE   B HD13 
1076 N N    . LYS   A 76  ? 0.258079 0.200751 0.235812  0.014729    -0.0725013  -0.0262564  88  LYS   B N    
1077 C CA   . LYS   A 76  ? 0.257292 0.201673 0.262833  0.00394972  -0.0659673  -0.0341369  88  LYS   B CA   
1078 C C    . LYS   A 76  ? 0.240592 0.19238  0.261986  -0.00331276 -0.0497256  -0.028167   88  LYS   B C    
1079 O O    . LYS   A 76  ? 0.23487  0.191953 0.285243  -0.0110009  -0.0446396  -0.0331855  88  LYS   B O    
1080 C CB   . LYS   A 76  ? 0.302012 0.234793 0.291537  0.00364654  -0.0628981  -0.038998   88  LYS   B CB   
1081 C CG   . LYS   A 76  ? 0.400594 0.323791 0.376398  0.0103637   -0.0796561  -0.0498448  88  LYS   B CG   
1082 C CD   . LYS   A 76  ? 0.483839 0.391565 0.44311   0.0114728   -0.0753853  -0.0549698  88  LYS   B CD   
1083 H H    . LYS   A 76  ? 0.282093 0.219479 0.236578  0.020247    -0.073878   -0.0258431  88  LYS   B H    
1084 H HA   . LYS   A 76  ? 0.264022 0.21144  0.290071  0.0021788   -0.0751692  -0.0413664  88  LYS   B HA   
1085 H HB2  . LYS   A 76  ? 0.306838 0.23854  0.277604  0.00677314  -0.0548142  -0.0325291  88  LYS   B HB2  
1086 H HB3  . LYS   A 76  ? 0.302439 0.234257 0.309578  -0.00391845 -0.0566356  -0.0415538  88  LYS   B HB3  
1087 H HG2  . LYS   A 76  ? 0.396111 0.321708 0.394453  0.00654134  -0.0889562  -0.0577669  88  LYS   B HG2  
1088 H HG3  . LYS   A 76  ? 0.402556 0.326409 0.357629  0.0189052   -0.0853157  -0.0466628  88  LYS   B HG3  
1091 N N    . ALA   A 77  ? 0.237869 0.19054  0.240806  -0.00136476 -0.0400704  -0.0189965  89  ALA   B N    
1092 C CA   . ALA   A 77  ? 0.228128 0.186818 0.241721  -0.00717911 -0.026943   -0.0163839  89  ALA   B CA   
1093 C C    . ALA   A 77  ? 0.214025 0.179007 0.253778  -0.00945771 -0.0282285  -0.0183157  89  ALA   B C    
1094 O O    . ALA   A 77  ? 0.209264 0.178927 0.263364  -0.0143549  -0.0184937  -0.0214946  89  ALA   B O    
1095 C CB   . ALA   A 77  ? 0.240711 0.202061 0.236439  -0.00492921 -0.020131   -0.00874763 89  ALA   B CB   
1096 H H    . ALA   A 77  ? 0.246178 0.196413 0.230037  0.00386171  -0.0418165  -0.0151101  89  ALA   B H    
1097 H HA   . ALA   A 77  ? 0.226876 0.183822 0.244047  -0.0108696  -0.0213662  -0.0194267  89  ALA   B HA   
1098 H HB1  . ALA   A 77  ? 0.239494 0.198495 0.221299  -0.00269322 -0.0181144  -0.00835378 89  ALA   B HB1  
1099 H HB2  . ALA   A 77  ? 0.240721 0.202133 0.231727  -0.0018873  -0.023713   -0.0042031  89  ALA   B HB2  
1100 H HB3  . ALA   A 77  ? 0.228013 0.193495 0.231734  -0.00838438 -0.0141716  -0.00906989 89  ALA   B HB3  
1101 N N    . TRP   A 78  ? 0.215172 0.17925  0.259136  -0.00409346 -0.0401895  -0.0166116  90  TRP   B N    
1102 C CA   . TRP   A 78  ? 0.212427 0.180849 0.282975  -0.0035261  -0.0432771  -0.0187996  90  TRP   B CA   
1103 C C    . TRP   A 78  ? 0.196342 0.173291 0.297869  -0.00655134 -0.0462415  -0.029819   90  TRP   B C    
1104 O O    . TRP   A 78  ? 0.234133 0.219051 0.362243  -0.00912476 -0.0393365  -0.0348161  90  TRP   B O    
1105 C CB   . TRP   A 78  ? 0.229441 0.191229 0.292495  0.00537466  -0.0560208  -0.0111279  90  TRP   B CB   
1106 C CG   . TRP   A 78  ? 0.238697 0.19375  0.291307  0.00505378  -0.0483459  -0.00021688 90  TRP   B CG   
1107 C CD1  . TRP   A 78  ? 0.255333 0.209833 0.291661  0.00069332  -0.0370096  0.00580968  90  TRP   B CD1  
1108 C CD2  . TRP   A 78  ? 0.236433 0.184357 0.302693  0.00886735  -0.0523803  0.00470967  90  TRP   B CD2  
1109 N NE1  . TRP   A 78  ? 0.269675 0.217675 0.310138  -0.00033404 -0.0336204  0.0140031   90  TRP   B NE1  
1110 C CE2  . TRP   A 78  ? 0.254527 0.195534 0.311729  0.00465341  -0.0424116  0.0141449   90  TRP   B CE2  
1111 C CE3  . TRP   A 78  ? 0.271173 0.21738  0.357556  0.0163721   -0.0646723  0.00222338  90  TRP   B CE3  
1112 C CZ2  . TRP   A 78  ? 0.290718 0.219006 0.358172  0.00633176  -0.0433539  0.0215539   90  TRP   B CZ2  
1113 C CZ3  . TRP   A 78  ? 0.327186 0.260815 0.421244  0.0205338   -0.0662101  0.00987292  90  TRP   B CZ3  
1114 C CH2  . TRP   A 78  ? 0.277312 0.199961 0.361407  0.014645    -0.0547944  0.0197488   90  TRP   B CH2  
1115 H H    . TRP   A 78  ? 0.227198 0.187058 0.255365  0.00062696  -0.0467504  -0.0138565  90  TRP   B H    
1116 H HA   . TRP   A 78  ? 0.203191 0.17318  0.278032  -0.00660652 -0.0342838  -0.018229   90  TRP   B HA   
1117 H HB2  . TRP   A 78  ? 0.24166  0.199817 0.286998  0.00955366  -0.0631311  -0.00939159 90  TRP   B HB2  
1118 H HB3  . TRP   A 78  ? 0.23232  0.197207 0.315677  0.00779203  -0.0627015  -0.0151953  90  TRP   B HB3  
1119 H HD1  . TRP   A 78  ? 0.24706  0.204921 0.272531  -0.00109726 -0.032677   0.0044184   90  TRP   B HD1  
1120 H HE1  . TRP   A 78  ? 0.259683 0.208111 0.295997  -0.00376231 -0.0271096  0.0177807   90  TRP   B HE1  
1121 H HE3  . TRP   A 78  ? 0.27172  0.225186 0.369122  0.0185228   -0.0718664  -0.00508429 90  TRP   B HE3  
1122 H HZ2  . TRP   A 78  ? 0.282754 0.206421 0.348473  0.00186157  -0.0365107  0.0270529   90  TRP   B HZ2  
1123 H HZ3  . TRP   A 78  ? 0.310457 0.242648 0.419321  0.0270771   -0.0749952  0.00801794  90  TRP   B HZ3  
1124 H HH2  . TRP   A 78  ? 0.305976 0.217297 0.396963  0.0167636   -0.0557916  0.0250851   90  TRP   B HH2  
1125 N N    . ASP   A 79  ? 0.183432 0.15964  0.284783  -0.00640294 -0.0559879  -0.0350524  91  ASP   B N    
1126 C CA   . ASP   A 79  ? 0.198819 0.185212 0.337334  -0.0118696  -0.058194   -0.0462916  91  ASP   B CA   
1127 C C    . ASP   A 79  ? 0.208583 0.197701 0.357243  -0.0220898  -0.0361448  -0.0471034  91  ASP   B C    
1128 O O    . ASP   A 79  ? 0.226934 0.228346 0.410971  -0.0268631  -0.0285831  -0.0533117  91  ASP   B O    
1129 C CB   . ASP   A 79  ? 0.23115  0.214226 0.368953  -0.011287   -0.0739627  -0.0539192  91  ASP   B CB   
1130 C CG   . ASP   A 79  ? 0.265398 0.249955 0.401278  0.00027969  -0.0989395  -0.05705    91  ASP   B CG   
1131 O OD1  . ASP   A 79  ? 0.270033 0.262041 0.422949  0.00603011  -0.104201   -0.0553504  91  ASP   B OD1  
1132 O OD2  . ASP   A 79  ? 0.286025 0.263936 0.406143  0.00363435  -0.113148   -0.0629834  91  ASP   B OD2  
1133 H H    . ASP   A 79  ? 0.200956 0.17059  0.280403  -0.00301896 -0.0612319  -0.0323839  91  ASP   B H    
1134 H HA   . ASP   A 79  ? 0.20151  0.195555 0.361096  -0.00877232 -0.0634713  -0.0488608  91  ASP   B HA   
1135 H HB2  . ASP   A 79  ? 0.23495  0.207989 0.346548  -0.0111258  -0.0713073  -0.0507804  91  ASP   B HB2  
1136 H HB3  . ASP   A 79  ? 0.228473 0.21761  0.39296   -0.0183603  -0.0709165  -0.0609194  91  ASP   B HB3  
1137 N N    . ILE   A 80  ? 0.186097 0.16428  0.30315   -0.0239746  -0.0260089  -0.0406616  92  ILE   B N    
1138 C CA   . ILE   A 80  ? 0.19473  0.171375 0.310715  -0.030981   -0.00610076 -0.0389483  92  ILE   B CA   
1139 C C    . ILE   A 80  ? 0.202517 0.186922 0.321579  -0.0295528  0.00489608  -0.0382764  92  ILE   B C    
1140 O O    . ILE   A 80  ? 0.198095 0.189852 0.33618   -0.0336101  0.0185219   -0.0419937  92  ILE   B O    
1141 C CB   . ILE   A 80  ? 0.216948 0.179137 0.29684   -0.029729   -0.00260246 -0.0324557  92  ILE   B CB   
1142 C CG1  . ILE   A 80  ? 0.248784 0.20034  0.328672  -0.0314288  -0.0112736  -0.0362031  92  ILE   B CG1  
1143 C CG2  . ILE   A 80  ? 0.260197 0.219082 0.327904  -0.0326465  0.0162375   -0.0277143  92  ILE   B CG2  
1144 C CD1  . ILE   A 80  ? 0.288766 0.226491 0.332103  -0.0251707  -0.0134077  -0.0315327  92  ILE   B CD1  
1145 H H    . ILE   A 80  ? 0.197341 0.168934 0.291992  -0.0198067  -0.0315457  -0.036929   92  ILE   B H    
1146 H HA   . ILE   A 80  ? 0.201583 0.18123  0.339123  -0.0365068  -0.00257999 -0.0431273  92  ILE   B HA   
1147 H HB   . ILE   A 80  ? 0.22127  0.182906 0.284366  -0.0244049  -0.00778662 -0.029202   92  ILE   B HB   
1148 H HG12 . ILE   A 80  ? 0.255838 0.205086 0.350534  -0.0381258  -0.00352835 -0.0377564  92  ILE   B HG12 
1149 H HG13 . ILE   A 80  ? 0.25085  0.206596 0.341857  -0.0295442  -0.0236555  -0.041171   92  ILE   B HG13 
1150 H HG21 . ILE   A 80  ? 0.255822 0.204478 0.306481  -0.0320125  0.0178972   -0.0242039  92  ILE   B HG21 
1151 H HG22 . ILE   A 80  ? 0.249923 0.212407 0.336061  -0.0376716  0.0246537   -0.0299353  92  ILE   B HG22 
1152 H HG23 . ILE   A 80  ? 0.242171 0.205203 0.300406  -0.0294071  0.017939    -0.0261946  92  ILE   B HG23 
1153 H HD11 . ILE   A 80  ? 0.274631 0.216122 0.304611  -0.0192693  -0.0183795  -0.0290569  92  ILE   B HD11 
1154 H HD12 . ILE   A 80  ? 0.289496 0.219283 0.333545  -0.0254333  -0.0203114  -0.0360065  92  ILE   B HD12 
1155 H HD13 . ILE   A 80  ? 0.280899 0.213871 0.313962  -0.0261472  -0.00289421 -0.0268898  92  ILE   B HD13 
1156 N N    . GLY   A 81  ? 0.198764 0.180919 0.299937  -0.0239001  -0.00050398 -0.0342865  93  GLY   B N    
1157 C CA   . GLY   A 81  ? 0.203491 0.189054 0.304111  -0.0226663  0.00765408  -0.0357569  93  GLY   B CA   
1158 C C    . GLY   A 81  ? 0.191563 0.185494 0.323684  -0.0206745  0.00748222  -0.0429998  93  GLY   B C    
1159 O O    . GLY   A 81  ? 0.200096 0.199325 0.340243  -0.0213188  0.0202549   -0.049025   93  GLY   B O    
1160 H H    . GLY   A 81  ? 0.201434 0.17936  0.290761  -0.0208865  -0.00923785 -0.0310206  93  GLY   B H    
1161 H HA2  . GLY   A 81  ? 0.202863 0.187961 0.294351  -0.0247905  0.0181396   -0.0360854  93  GLY   B HA2  
1162 H HA3  . GLY   A 81  ? 0.19825  0.180228 0.285042  -0.0203011  0.0031148   -0.031948   93  GLY   B HA3  
1163 N N    . VAL   A 82  ? 0.197503 0.192549 0.346497  -0.0162854  -0.00723633 -0.0430178  94  VAL   B N    
1164 C CA   . VAL   A 82  ? 0.19003  0.192367 0.370856  -0.011561   -0.00987389 -0.0497143  94  VAL   B CA   
1165 C C    . VAL   A 82  ? 0.185801 0.204041 0.399843  -0.015365   0.00045997  -0.058929   94  VAL   B C    
1166 O O    . VAL   A 82  ? 0.175297 0.201967 0.411736  -0.012324   0.00860799  -0.0664474  94  VAL   B O    
1167 C CB   . VAL   A 82  ? 0.215099 0.21296  0.402265  -0.00339325 -0.0302406  -0.0456294  94  VAL   B CB   
1168 C CG1  . VAL   A 82  ? 0.258211 0.263266 0.481734  0.0040252   -0.034365   -0.0529266  94  VAL   B CG1  
1169 C CG2  . VAL   A 82  ? 0.226676 0.208746 0.382008  -0.00130072 -0.034471   -0.0342378  94  VAL   B CG2  
1170 H H    . VAL   A 82  ? 0.196435 0.187238 0.335611  -0.0149819  -0.0162322  -0.0389468  94  VAL   B H    
1171 H HA   . VAL   A 82  ? 0.195406 0.194973 0.37247   -0.0104599  -0.00422093 -0.0511278  94  VAL   B HA   
1172 H HB   . VAL   A 82  ? 0.220535 0.221133 0.409052  -0.00383127 -0.0376745  -0.0458088  94  VAL   B HB   
1173 H HG11 . VAL   A 82  ? 0.243347 0.24905  0.471115  0.00311807  -0.0234906  -0.0571053  94  VAL   B HG11 
1174 H HG12 . VAL   A 82  ? 0.243628 0.26081  0.490601  0.00389268  -0.0365031  -0.0589345  94  VAL   B HG12 
1175 H HG13 . VAL   A 82  ? 0.253704 0.250357 0.473267  0.0104775   -0.0458026  -0.0477242  94  VAL   B HG13 
1176 H HG21 . VAL   A 82  ? 0.234024 0.210953 0.39063   0.00474557  -0.0455211  -0.0299729  94  VAL   B HG21 
1177 H HG22 . VAL   A 82  ? 0.223282 0.203006 0.358454  -0.0042309  -0.0333369  -0.0302556  94  VAL   B HG22 
1178 H HG23 . VAL   A 82  ? 0.223642 0.202948 0.378107  -0.0027287  -0.0270623  -0.0353064  94  VAL   B HG23 
1179 N N    . ALA   A 83  ? 0.173589 0.194699 0.390823  -0.0221964  0.00217385  -0.0585409  95  ALA   B N    
1180 C CA   . ALA   A 83  ? 0.157488 0.194044 0.411052  -0.028727   0.0153861   -0.0657322  95  ALA   B CA   
1181 C C    . ALA   A 83  ? 0.173675 0.211114 0.416173  -0.0316976  0.0415032   -0.0657849  95  ALA   B C    
1182 O O    . ALA   A 83  ? 0.202143 0.254085 0.475098  -0.0351497  0.0572795   -0.0713458  95  ALA   B O    
1183 C CB   . ALA   A 83  ? 0.175721 0.209107 0.432094  -0.0374998  0.0127195   -0.0643544  95  ALA   B CB   
1184 H H    . ALA   A 83  ? 0.173461 0.186536 0.371747  -0.0231526  -0.00423222 -0.0538923  95  ALA   B H    
1185 H HA   . ALA   A 83  ? 0.163903 0.21211  0.448075  -0.0249589  0.00957348  -0.0719202  95  ALA   B HA   
1186 H HB1  . ALA   A 83  ? 0.172612 0.207914 0.439358  -0.0349653  -0.00418474 -0.067155   95  ALA   B HB1  
1187 H HB2  . ALA   A 83  ? 0.174045 0.194387 0.399239  -0.0389418  0.0153553   -0.0580542  95  ALA   B HB2  
1188 H HB3  . ALA   A 83  ? 0.174852 0.216734 0.454249  -0.0438024  0.0251837   -0.0673674  95  ALA   B HB3  
1189 N N    . THR   A 84  ? 0.213667 0.2373   0.413529  -0.0298316  0.0460437   -0.0601637  96  THR   B N    
1190 C CA   . THR   A 84  ? 0.234636 0.25822  0.416986  -0.0295198  0.067525    -0.0617515  96  THR   B CA   
1191 C C    . THR   A 84  ? 0.244839 0.273602 0.434624  -0.0214198  0.0695897   -0.0717835  96  THR   B C    
1192 O O    . THR   A 84  ? 0.243676 0.273529 0.41838   -0.0191021  0.086841    -0.0764166  96  THR   B O    
1193 C CB   . THR   A 84  ? 0.218448 0.226752 0.353218  -0.029456   0.0687407   -0.0537389  96  THR   B CB   
1194 O OG1  . THR   A 84  ? 0.200299 0.202767 0.318917  -0.0241697  0.0537464   -0.0543166  96  THR   B OG1  
1195 C CG2  . THR   A 84  ? 0.247852 0.246765 0.372834  -0.0354725  0.0662031   -0.0444603  96  THR   B CG2  
1196 H H    . THR   A 84  ? 0.202296 0.217162 0.383077  -0.0282058  0.0355423   -0.0557033  96  THR   B H    
1197 H HA   . THR   A 84  ? 0.236138 0.265949 0.432264  -0.0339287  0.0808028   -0.0621041  96  THR   B HA   
1198 H HB   . THR   A 84  ? 0.237881 0.246119 0.359566  -0.0286484  0.0827434   -0.0546657  96  THR   B HB   
1200 H HG21 . THR   A 84  ? 0.247555 0.237835 0.344311  -0.0346183  0.0710678   -0.0394145  96  THR   B HG21 
1201 H HG22 . THR   A 84  ? 0.229684 0.22638  0.356701  -0.0345708  0.0516491   -0.0435043  96  THR   B HG22 
1202 H HG23 . THR   A 84  ? 0.243368 0.246597 0.388607  -0.0405218  0.0742097   -0.0449587  96  THR   B HG23 
1203 N N    . MET   A 85  ? 0.222043 0.2511   0.43078   -0.015763   0.0525986   -0.0753822  97  MET   B N    
1204 C CA   . MET   A 85  ? 0.211659 0.238032 0.423255  -0.00786248 0.0519529   -0.0844446  97  MET   B CA   
1205 C C    . MET   A 85  ? 0.213749 0.255718 0.467472  -0.00177017 0.0594088   -0.0962022  97  MET   B C    
1206 O O    . MET   A 85  ? 0.207251 0.262664 0.495569  -0.00264217 0.0556208   -0.096279   97  MET   B O    
1207 C CB   . MET   A 85  ? 0.1922   0.205596 0.401248  -0.00449123 0.0303685   -0.079198   97  MET   B CB   
1208 C CG   . MET   A 85  ? 0.205222 0.206655 0.377368  -0.00937233 0.0248761   -0.0691053  97  MET   B CG   
1209 S SD   . MET   A 85  ? 0.231152 0.217383 0.399013  -0.00684446 0.00563124  -0.0599814  97  MET   B SD   
1210 C CE   . MET   A 85  ? 0.242154 0.219274 0.421476  -0.00237934 0.0071414   -0.0712604  97  MET   B CE   
1211 H H    . MET   A 85  ? 0.213919 0.243127 0.433103  -0.0162864  0.0407444   -0.072173   97  MET   B H    
1212 H HA   . MET   A 85  ? 0.220148 0.242001 0.408232  -0.00786819 0.0601671   -0.0864949  97  MET   B HA   
1213 H HB2  . MET   A 85  ? 0.194592 0.211536 0.4215    -0.00319923 0.0211669   -0.0765197  97  MET   B HB2  
1214 H HB3  . MET   A 85  ? 0.20572  0.2151   0.420992  0.00032393  0.0294651   -0.0853532  97  MET   B HB3  
1215 H HG2  . MET   A 85  ? 0.211198 0.210625 0.366768  -0.0100459  0.0321703   -0.072574   97  MET   B HG2  
1216 H HG3  . MET   A 85  ? 0.201277 0.204965 0.367148  -0.0130785  0.0253931   -0.0636886  97  MET   B HG3  
1217 H HE1  . MET   A 85  ? 0.246253 0.212614 0.425223  -0.00205654 -0.0011636  -0.065494   97  MET   B HE1  
1218 H HE2  . MET   A 85  ? 0.245915 0.227552 0.445923  0.0024739   0.00923908  -0.0782153  97  MET   B HE2  
1219 H HE3  . MET   A 85  ? 0.245632 0.223404 0.411265  -0.00465249 0.0139738   -0.076714   97  MET   B HE3  
1220 N N    . LYS   A 86  ? 0.228049 0.269777 0.481171  0.00535515  0.0696485   -0.1083     98  LYS   B N    
1221 C CA   . LYS   A 86  ? 0.246618 0.301334 0.539925  0.0147305   0.075182    -0.121549   98  LYS   B CA   
1222 C C    . LYS   A 86  ? 0.233754 0.276066 0.5437    0.0239276   0.054291    -0.12423    98  LYS   B C    
1223 O O    . LYS   A 86  ? 0.23205  0.253708 0.516166  0.0225355   0.0421296   -0.118763   98  LYS   B O    
1224 C CB   . LYS   A 86  ? 0.282296 0.33908  0.559498  0.0199755   0.0972563   -0.134904   98  LYS   B CB   
1225 C CG   . LYS   A 86  ? 0.357735 0.425642 0.619737  0.0119294   0.120422    -0.128728   98  LYS   B CG   
1226 C CD   . LYS   A 86  ? 0.510387 0.580562 0.743901  0.0166997   0.146466    -0.137447   98  LYS   B CD   
1227 C CE   . LYS   A 86  ? 0.614957 0.687283 0.826749  0.00646131  0.163796    -0.122828   98  LYS   B CE   
1228 N NZ   . LYS   A 86  ? 0.661111 0.744444 0.865213  0.0115849   0.195431    -0.129633   98  LYS   B NZ   
1229 H H    . LYS   A 86  ? 0.238909 0.271904 0.464795  0.00509853  0.0726406   -0.109314   98  LYS   B H    
1230 H HA   . LYS   A 86  ? 0.239373 0.309362 0.559739  0.0127807   0.0789419   -0.120858   98  LYS   B HA   
1231 H HB2  . LYS   A 86  ? 0.299192 0.341538 0.548993  0.0210016   0.0923793   -0.136788   98  LYS   B HB2  
1232 H HB3  . LYS   A 86  ? 0.299338 0.364447 0.603039  0.0276811   0.101742    -0.145227   98  LYS   B HB3  
1233 H HG2  . LYS   A 86  ? 0.355187 0.437949 0.649804  0.00952515  0.124837    -0.127524   98  LYS   B HG2  
1234 H HG3  . LYS   A 86  ? 0.354889 0.413606 0.593617  0.00531536  0.1139      -0.118306   98  LYS   B HG3  
1235 H HD2  . LYS   A 86  ? 0.505764 0.562669 0.709762  0.0203576   0.140427    -0.141903   98  LYS   B HD2  
1236 H HD3  . LYS   A 86  ? 0.507175 0.589949 0.765532  0.0227279   0.157837    -0.147267   98  LYS   B HD3  
1237 H HE2  . LYS   A 86  ? 0.574943 0.654951 0.813732  -0.00033871 0.161619    -0.116049   98  LYS   B HE2  
1238 H HE3  . LYS   A 86  ? 0.595028 0.653469 0.771086  0.00429495  0.157158    -0.116439   98  LYS   B HE3  
1239 H HZ1  . LYS   A 86  ? 0.65176  0.750781 0.893013  0.0125249   0.203538    -0.134429   98  LYS   B HZ1  
1240 H HZ2  . LYS   A 86  ? 0.669319 0.74649  0.851139  0.0195061   0.195913    -0.138903   98  LYS   B HZ2  
1241 H HZ3  . LYS   A 86  ? 0.665689 0.746271 0.849751  0.006406    0.20729     -0.119906   98  LYS   B HZ3  
1242 N N    . LYS   A 87  ? 0.243416 0.2989   0.598635  0.0338661   0.0525164   -0.133057   99  LYS   B N    
1243 C CA   . LYS   A 87  ? 0.262556 0.303159 0.634128  0.0456392   0.0352827   -0.136269   99  LYS   B CA   
1244 C C    . LYS   A 87  ? 0.276572 0.295505 0.622279  0.0483854   0.0397689   -0.145416   99  LYS   B C    
1245 O O    . LYS   A 87  ? 0.28635  0.312154 0.628445  0.0520477   0.0582691   -0.160702   99  LYS   B O    
1246 C CB   . LYS   A 87  ? 0.301465 0.363309 0.727762  0.0584378   0.0361199   -0.147721   99  LYS   B CB   
1247 C CG   . LYS   A 87  ? 0.34743  0.390449 0.79117   0.0733529   0.0173561   -0.149994   99  LYS   B CG   
1248 C CD   . LYS   A 87  ? 0.395343 0.461281 0.896435  0.087892    0.0110056   -0.158248   99  LYS   B CD   
1249 C CE   . LYS   A 87  ? 0.418717 0.461293 0.933959  0.104963    -0.00805364 -0.158904   99  LYS   B CE   
1250 N NZ   . LYS   A 87  ? 0.458158 0.527878 1.03227   0.121279    -0.0115033  -0.170617   99  LYS   B NZ   
1251 H H    . LYS   A 87  ? 0.242643 0.316487 0.620196  0.0334709   0.0624815   -0.13676    99  LYS   B H    
1252 H HA   . LYS   A 87  ? 0.259742 0.290174 0.624088  0.0437827   0.0194254   -0.125002   99  LYS   B HA   
1253 H HB2  . LYS   A 87  ? 0.289118 0.365887 0.73368   0.0556428   0.0313329   -0.143025   99  LYS   B HB2  
1254 H HB3  . LYS   A 87  ? 0.306468 0.380107 0.740212  0.0604207   0.0541272   -0.158736   99  LYS   B HB3  
1255 H HG2  . LYS   A 87  ? 0.361694 0.392447 0.795946  0.0768854   0.0239539   -0.158567   99  LYS   B HG2  
1256 H HG3  . LYS   A 87  ? 0.347041 0.373619 0.773958  0.0708236   0.00209515  -0.137548   99  LYS   B HG3  
1257 H HD2  . LYS   A 87  ? 0.374076 0.452471 0.88568   0.0843062   0.00219925  -0.151188   99  LYS   B HD2  
1258 H HD3  . LYS   A 87  ? 0.387955 0.472391 0.907843  0.0901742   0.0284401   -0.170554   99  LYS   B HD3  
1259 H HE2  . LYS   A 87  ? 0.438539 0.464478 0.941311  0.107241    -0.00135657 -0.165705   99  LYS   B HE2  
1260 H HE3  . LYS   A 87  ? 0.425644 0.452184 0.925682  0.103855    -0.0249045  -0.145204   99  LYS   B HE3  
1261 H HZ1  . LYS   A 87  ? 0.448999 0.532922 1.03765   0.123393    0.00575816  -0.183562   99  LYS   B HZ1  
1262 H HZ2  . LYS   A 87  ? 0.434931 0.522624 1.02326   0.118158    -0.0175463  -0.166359   99  LYS   B HZ2  
1263 H HZ3  . LYS   A 87  ? 0.461548 0.516172 1.04467   0.133087    -0.0250649  -0.1696     99  LYS   B HZ3  
1264 N N    . GLY   A 88  ? 0.272187 0.264681 0.602654  0.0474278   0.0224308   -0.136923   100 GLY   B N    
1265 C CA   . GLY   A 88  ? 0.302308 0.271876 0.61684   0.0487438   0.0222738   -0.146807   100 GLY   B CA   
1266 C C    . GLY   A 88  ? 0.307597 0.271444 0.580151  0.035834    0.0252042   -0.142447   100 GLY   B C    
1267 O O    . GLY   A 88  ? 0.334517 0.280082 0.593379  0.033513    0.0209797   -0.14899    100 GLY   B O    
1268 H H    . GLY   A 88  ? 0.269688 0.258001 0.600175  0.0456361   0.0106468   -0.124982   100 GLY   B H    
1269 H HA2  . GLY   A 88  ? 0.309405 0.261729 0.632658  0.0520581   0.00984007  -0.142046   100 GLY   B HA2  
1270 H HA3  . GLY   A 88  ? 0.313937 0.288538 0.637979  0.0556241   0.0321184   -0.16193    100 GLY   B HA3  
1271 N N    . GLU   A 89  ? 0.274171 0.25289  0.528947  0.0274837   0.0305761   -0.131715   101 GLU   B N    
1272 C CA   . GLU   A 89  ? 0.27267  0.247888 0.48867   0.0176807   0.0324476   -0.127369   101 GLU   B CA   
1273 C C    . GLU   A 89  ? 0.268678 0.227327 0.476675  0.0109868   0.0163762   -0.113269   101 GLU   B C    
1274 O O    . GLU   A 89  ? 0.264705 0.218437 0.484963  0.011516    0.00591931  -0.099386   101 GLU   B O    
1275 C CB   . GLU   A 89  ? 0.256666 0.249252 0.459083  0.0121636   0.0428953   -0.118524   101 GLU   B CB   
1276 C CG   . GLU   A 89  ? 0.26993  0.26071  0.432192  0.00485314  0.0453385   -0.112858   101 GLU   B CG   
1277 C CD   . GLU   A 89  ? 0.261874 0.264565 0.412225  0.00059019  0.0571961   -0.104046   101 GLU   B CD   
1278 O OE1  . GLU   A 89  ? 0.258979 0.274136 0.423494  0.00316253  0.0734454   -0.109378   101 GLU   B OE1  
1279 O OE2  . GLU   A 89  ? 0.23844  0.237368 0.366791  -0.00536489 0.0513682   -0.0918647  101 GLU   B OE2  
1280 H H    . GLU   A 89  ? 0.26888  0.259929 0.536788  0.0280634   0.0323429   -0.127372   101 GLU   B H    
1281 H HA   . GLU   A 89  ? 0.286355 0.258713 0.491815  0.0197572   0.0377824   -0.139674   101 GLU   B HA   
1282 H HB2  . GLU   A 89  ? 0.266385 0.269672 0.477027  0.0157713   0.0552112   -0.126082   101 GLU   B HB2  
1283 H HB3  . GLU   A 89  ? 0.248566 0.243487 0.462388  0.0104672   0.0360976   -0.108697   101 GLU   B HB3  
1284 H HG2  . GLU   A 89  ? 0.258951 0.242189 0.416017  0.00099915  0.0345117   -0.104924   101 GLU   B HG2  
1285 H HG3  . GLU   A 89  ? 0.280274 0.268451 0.428902  0.0072529   0.0494854   -0.12316    101 GLU   B HG3  
1286 N N    . ILE   A 90  ? 0.259005 0.210261 0.445177  0.00503621  0.0146573   -0.116987   102 ILE   B N    
1287 C CA   . ILE   A 90  ? 0.253662 0.196911 0.429778  -0.0036213  0.00502278  -0.103002   102 ILE   B CA   
1288 C C    . ILE   A 90  ? 0.269937 0.226036 0.416076  -0.00902263 0.00943006  -0.0997562  102 ILE   B C    
1289 O O    . ILE   A 90  ? 0.269752 0.231215 0.399056  -0.00732589 0.0151875   -0.112892   102 ILE   B O    
1290 C CB   . ILE   A 90  ? 0.286222 0.210897 0.472462  -0.00691774 -0.00260669 -0.110036   102 ILE   B CB   
1291 C CG1  . ILE   A 90  ? 0.321854 0.227749 0.537446  0.00013751  -0.00745589 -0.112106   102 ILE   B CG1  
1292 C CG2  . ILE   A 90  ? 0.287398 0.208143 0.466891  -0.0175946  -0.00882893 -0.0959211  102 ILE   B CG2  
1293 C CD1  . ILE   A 90  ? 0.357941 0.24069  0.587357  -0.00367826 -0.013864   -0.121186   102 ILE   B CD1  
1294 H H    . ILE   A 90  ? 0.274003 0.226644 0.452293  0.00698782  0.019868    -0.129511   102 ILE   B H    
1295 H HA   . ILE   A 90  ? 0.2536   0.194966 0.436515  -0.00344477 0.00070952  -0.0908113  102 ILE   B HA   
1296 H HB   . ILE   A 90  ? 0.297284 0.224309 0.476338  -0.00604465 0.00010307  -0.124617   102 ILE   B HB   
1297 H HG12 . ILE   A 90  ? 0.31387  0.21644  0.534041  0.00063776  -0.0114493  -0.0972945  102 ILE   B HG12 
1298 H HG13 . ILE   A 90  ? 0.32279  0.234538 0.545038  0.0077138   -0.00247039 -0.122217   102 ILE   B HG13 
1299 H HG21 . ILE   A 90  ? 0.298444 0.20837  0.48797   -0.0212153  -0.0126842  -0.101857   102 ILE   B HG21 
1300 H HG22 . ILE   A 90  ? 0.280329 0.197299 0.463174  -0.0177093  -0.0110215  -0.0813423  102 ILE   B HG22 
1301 H HG23 . ILE   A 90  ? 0.276875 0.209737 0.439268  -0.0202934  -0.00657978 -0.0956792  102 ILE   B HG23 
1302 H HD11 . ILE   A 90  ? 0.360814 0.247479 0.582828  -0.00473779 -0.0120431  -0.136642   102 ILE   B HD11 
1303 H HD12 . ILE   A 90  ? 0.367834 0.237715 0.614873  0.00293128  -0.0159875  -0.124293   102 ILE   B HD12 
1304 H HD13 . ILE   A 90  ? 0.352664 0.228801 0.58164   -0.0113797  -0.0177989  -0.108904   102 ILE   B HD13 
1305 N N    . ALA   A 91  ? 0.230717 0.190266 0.368092  -0.0134476  0.00614413  -0.0825838  103 ALA   B N    
1306 C CA   . ALA   A 91  ? 0.242614 0.212173 0.353138  -0.0168336  0.00910743  -0.0780576  103 ALA   B CA   
1307 C C    . ALA   A 91  ? 0.240998 0.208625 0.347335  -0.0227542  0.0016319   -0.0655112  103 ALA   B C    
1308 O O    . ALA   A 91  ? 0.240838 0.199617 0.36013   -0.024197   -0.00338456 -0.0547059  103 ALA   B O    
1309 C CB   . ALA   A 91  ? 0.228026 0.205924 0.331441  -0.0150069  0.0164085   -0.0718052  103 ALA   B CB   
1310 H H    . ALA   A 91  ? 0.236972 0.191766 0.383838  -0.0131922  0.00161856  -0.0737296  103 ALA   B H    
1311 H HA   . ALA   A 91  ? 0.247399 0.219198 0.347928  -0.0159562  0.0114573   -0.0882656  103 ALA   B HA   
1312 H HB1  . ALA   A 91  ? 0.235504 0.216527 0.343777  -0.0119404  0.0235037   -0.0794732  103 ALA   B HB1  
1313 H HB2  . ALA   A 91  ? 0.222949 0.199214 0.335991  -0.0151654  0.012229    -0.0639561  103 ALA   B HB2  
1314 H HB3  . ALA   A 91  ? 0.227812 0.209296 0.312857  -0.0164448  0.0182481   -0.0682109  103 ALA   B HB3  
1315 N N    . HIS   A 92  ? 0.195844 0.172169 0.283108  -0.0246488  0.00179896  -0.0658951  104 HIS   B N    
1316 C CA   . HIS   A 92  ? 0.201296 0.182059 0.283519  -0.028574   -0.00184377 -0.0540708  104 HIS   B CA   
1317 C C    . HIS   A 92  ? 0.234479 0.221357 0.295501  -0.0253031  0.00151674  -0.0450051  104 HIS   B C    
1318 O O    . HIS   A 92  ? 0.228475 0.218513 0.272692  -0.0216778  0.00625504  -0.0493165  104 HIS   B O    
1319 C CB   . HIS   A 92  ? 0.205934 0.194976 0.287204  -0.0317815  -0.0064148  -0.0628557  104 HIS   B CB   
1320 C CG   . HIS   A 92  ? 0.211089 0.192727 0.317949  -0.0379366  -0.0114763  -0.0714104  104 HIS   B CG   
1321 N ND1  . HIS   A 92  ? 0.20717  0.196514 0.322964  -0.0427635  -0.0183004  -0.0825771  104 HIS   B ND1  
1322 C CD2  . HIS   A 92  ? 0.216783 0.182373 0.344471  -0.0400645  -0.0116028  -0.0692953  104 HIS   B CD2  
1323 C CE1  . HIS   A 92  ? 0.216431 0.193285 0.360051  -0.0497911  -0.021359   -0.0871751  104 HIS   B CE1  
1324 N NE2  . HIS   A 92  ? 0.207513 0.167966 0.356887  -0.0475303  -0.0168491  -0.0780602  104 HIS   B NE2  
1325 H H    . HIS   A 92  ? 0.21435  0.194532 0.290701  -0.0223292  0.00457307  -0.0740687  104 HIS   B H    
1326 H HA   . HIS   A 92  ? 0.205092 0.179748 0.298751  -0.0307744  -0.00379612 -0.0465248  104 HIS   B HA   
1327 H HB2  . HIS   A 92  ? 0.210336 0.203343 0.277634  -0.0279391  -0.00554457 -0.0711044  104 HIS   B HB2  
1328 H HB3  . HIS   A 92  ? 0.199361 0.195154 0.276888  -0.0331221  -0.00725005 -0.0552081  104 HIS   B HB3  
1330 H HD2  . HIS   A 92  ? 0.209386 0.168224 0.338176  -0.0369678  -0.00946626 -0.0627988  104 HIS   B HD2  
1331 H HE1  . HIS   A 92  ? 0.223807 0.202409 0.381715  -0.055031   -0.0267847  -0.0964941  104 HIS   B HE1  
1333 N N    . LEU   A 93  ? 0.197954 0.183538 0.258188  -0.0258767  -0.00014628 -0.0319439  105 LEU   B N    
1334 C CA   . LEU   A 93  ? 0.22921  0.217895 0.270238  -0.0224271  0.00149592  -0.0248461  105 LEU   B CA   
1335 C C    . LEU   A 93  ? 0.237723 0.234006 0.272711  -0.0226699  0.00028247  -0.0176871  105 LEU   B C    
1336 O O    . LEU   A 93  ? 0.213893 0.209457 0.260042  -0.0259612  -0.00028109 -0.011056   105 LEU   B O    
1337 C CB   . LEU   A 93  ? 0.221273 0.203123 0.262545  -0.0201479  -0.00014568 -0.018311   105 LEU   B CB   
1338 C CG   . LEU   A 93  ? 0.230299 0.208766 0.286655  -0.0195925  0.0005711   -0.0243954  105 LEU   B CG   
1339 C CD1  . LEU   A 93  ? 0.25006  0.224884 0.311062  -0.0169717  -0.00564407 -0.0197779  105 LEU   B CD1  
1340 C CD2  . LEU   A 93  ? 0.231701 0.213692 0.280607  -0.0197481  0.0093477   -0.0315339  105 LEU   B CD2  
1341 H H    . LEU   A 93  ? 0.21388  0.195061 0.284269  -0.0278616  -0.00216969 -0.0273757  105 LEU   B H    
1342 H HA   . LEU   A 93  ? 0.223664 0.214335 0.254988  -0.0206528  0.00430302  -0.0294268  105 LEU   B HA   
1343 H HB2  . LEU   A 93  ? 0.226861 0.206056 0.271072  -0.0202151  -0.00312933 -0.0120825  105 LEU   B HB2  
1344 H HB3  . LEU   A 93  ? 0.224154 0.206756 0.25279   -0.0181914  0.00067344  -0.0158834  105 LEU   B HB3  
1345 H HG   . LEU   A 93  ? 0.234368 0.210902 0.303226  -0.0202606  -0.00037514 -0.0276084  105 LEU   B HG   
1346 H HD11 . LEU   A 93  ? 0.247972 0.218988 0.309171  -0.0154769  -0.0106746  -0.0141756  105 LEU   B HD11 
1347 H HD12 . LEU   A 93  ? 0.243919 0.21989  0.319417  -0.0166917  -0.0052093  -0.0247622  105 LEU   B HD12 
1348 H HD13 . LEU   A 93  ? 0.243907 0.218898 0.293468  -0.0165006  -0.00538544 -0.0178965  105 LEU   B HD13 
1349 H HD21 . LEU   A 93  ? 0.235191 0.21913  0.282097  -0.0199101  0.011515    -0.0367778  105 LEU   B HD21 
1350 H HD22 . LEU   A 93  ? 0.232177 0.213858 0.267023  -0.019107   0.0104544   -0.0278481  105 LEU   B HD22 
1351 H HD23 . LEU   A 93  ? 0.232183 0.21427  0.292301  -0.0197968  0.0118245   -0.0344612  105 LEU   B HD23 
1352 N N    . LEU   A 94  ? 0.207505 0.209687 0.225136  -0.0182541  0.00127606  -0.0173252  106 LEU   B N    
1353 C CA   . LEU   A 94  ? 0.210854 0.221979 0.222449  -0.0153573  0.00139828  -0.0108036  106 LEU   B CA   
1354 C C    . LEU   A 94  ? 0.215837 0.21929  0.208055  -0.00899561 0.00243388  -0.00625797 106 LEU   B C    
1355 O O    . LEU   A 94  ? 0.219998 0.216503 0.201175  -0.00656552 0.00335229  -0.00942529 106 LEU   B O    
1356 C CB   . LEU   A 94  ? 0.222876 0.248957 0.235341  -0.0135119  -0.00111696 -0.0166401  106 LEU   B CB   
1357 C CG   . LEU   A 94  ? 0.251658 0.293218 0.268823  -0.0108178  -0.00010823 -0.0115448  106 LEU   B CG   
1358 C CD1  . LEU   A 94  ? 0.21656  0.264318 0.257715  -0.0193247  0.00386314  -0.00588277 106 LEU   B CD1  
1359 C CD2  . LEU   A 94  ? 0.276439 0.333488 0.2941    -0.00602817 -0.00575344 -0.0189789  106 LEU   B CD2  
1360 H H    . LEU   A 94  ? 0.217557 0.217722 0.226673  -0.0162053  0.00264721  -0.0210828  106 LEU   B H    
1361 H HA   . LEU   A 94  ? 0.212782 0.224712 0.23351   -0.0181748  0.00220427  -0.00578134 106 LEU   B HA   
1362 H HB2  . LEU   A 94  ? 0.227564 0.256579 0.25271   -0.0180204  -0.003289   -0.0225147  106 LEU   B HB2  
1363 H HB3  . LEU   A 94  ? 0.231117 0.254321 0.229181  -0.00887686 -0.00168742 -0.0192966  106 LEU   B HB3  
1364 H HG   . LEU   A 94  ? 0.244408 0.281298 0.248273  -0.00569367 0.00218137  -0.00649166 106 LEU   B HG   
1365 H HD11 . LEU   A 94  ? 0.227327 0.263917 0.263839  -0.0201515  0.00651146  0.00024907  106 LEU   B HD11 
1366 H HD12 . LEU   A 94  ? 0.226709 0.286879 0.272583  -0.0176316  0.006633    -0.00273306 106 LEU   B HD12 
1367 H HD13 . LEU   A 94  ? 0.226156 0.276051 0.282629  -0.0251676  0.00116013  -0.0115771  106 LEU   B HD13 
1368 H HD21 . LEU   A 94  ? 0.274026 0.324507 0.273119  0.00040936  -0.00699528 -0.0196978  106 LEU   B HD21 
1369 H HD22 . LEU   A 94  ? 0.270538 0.331529 0.299351  -0.0104751  -0.00961127 -0.0260614  106 LEU   B HD22 
1370 H HD23 . LEU   A 94  ? 0.267979 0.337833 0.293598  -0.00417075 -0.00470515 -0.0164366  106 LEU   B HD23 
1371 N N    . ILE   A 95  ? 0.221857 0.225312 0.208952  -0.00614273 0.00314369  0.00102757  107 ILE   B N    
1372 C CA   . ILE   A 95  ? 0.219395 0.211775 0.190296  -0.0007273  0.00155315  0.00263079  107 ILE   B CA   
1373 C C    . ILE   A 95  ? 0.240121 0.237492 0.196506  0.00742796  0.00379061  0.00610974  107 ILE   B C    
1374 O O    . ILE   A 95  ? 0.221991 0.228924 0.180934  0.00808034  0.00790074  0.0118819   107 ILE   B O    
1375 C CB   . ILE   A 95  ? 0.209111 0.193082 0.184187  -0.00259818 -0.00224816 0.00579902  107 ILE   B CB   
1376 C CG1  . ILE   A 95  ? 0.217294 0.197501 0.210963  -0.00860378 -0.00427715 0.00120528  107 ILE   B CG1  
1377 C CG2  . ILE   A 95  ? 0.222651 0.196493 0.180925  0.00368098  -0.00719878 0.0046399   107 ILE   B CG2  
1378 C CD1  . ILE   A 95  ? 0.247414 0.221809 0.24908   -0.00875858 -0.00896671 0.00597043  107 ILE   B CD1  
1379 H H    . ILE   A 95  ? 0.219451 0.229769 0.213219  -0.0076021  0.00489348  0.0045168   107 ILE   B H    
1380 H HA   . ILE   A 95  ? 0.22099  0.207468 0.188349  -0.00047173 0.00108907  -0.00104255 107 ILE   B HA   
1381 H HB   . ILE   A 95  ? 0.218352 0.206079 0.194755  -0.00280226 -0.00036091 0.0113598   107 ILE   B HB   
1382 H HG12 . ILE   A 95  ? 0.218649 0.194744 0.211959  -0.00856112 -0.0051076  -0.00304405 107 ILE   B HG12 
1383 H HG13 . ILE   A 95  ? 0.214638 0.200079 0.215792  -0.0116573  -0.00157273 -0.00117994 107 ILE   B HG13 
1384 H HG21 . ILE   A 95  ? 0.225463 0.194102 0.187849  0.00294812  -0.0122297  0.00419818  107 ILE   B HG21 
1385 H HG22 . ILE   A 95  ? 0.221616 0.191853 0.177419  0.00403349  -0.00701382 0.00035298  107 ILE   B HG22 
1386 H HG23 . ILE   A 95  ? 0.229963 0.205775 0.17628   0.00851596  -0.00576359 0.00809384  107 ILE   B HG23 
1387 H HD11 . ILE   A 95  ? 0.243479 0.219723 0.244055  -0.00914388 -0.00659409 0.0121581   107 ILE   B HD11 
1388 H HD12 . ILE   A 95  ? 0.2359   0.209066 0.251718  -0.0115961  -0.00972715 0.0022014   107 ILE   B HD12 
1389 H HD13 . ILE   A 95  ? 0.245904 0.215384 0.239808  -0.00497459 -0.0137862  0.00659017  107 ILE   B HD13 
1390 N N    . LYS   A 96  ? 0.22621  0.216274 0.168247  0.0140211   0.00272201  0.00288992  108 LYS   B N    
1391 C CA   . LYS   A 96  ? 0.253166 0.244595 0.180316  0.0244222   0.00433569  0.00341945  108 LYS   B CA   
1392 C C    . LYS   A 96  ? 0.241298 0.222294 0.154617  0.0280476   0.00181052  0.00369914  108 LYS   B C    
1393 O O    . LYS   A 96  ? 0.245322 0.214741 0.160165  0.0234774   -0.00441118 0.00172959  108 LYS   B O    
1394 C CB   . LYS   A 96  ? 0.313368 0.293636 0.228944  0.0312901   0.00277487  -0.00028805 108 LYS   B CB   
1395 C CG   . LYS   A 96  ? 0.329956 0.320447 0.25037   0.0328825   0.00327488  -0.00021521 108 LYS   B CG   
1396 C CD   . LYS   A 96  ? 0.367904 0.342084 0.27203   0.0417017   0.00190035  -0.00061932 108 LYS   B CD   
1397 C CE   . LYS   A 96  ? 0.399443 0.382173 0.301745  0.0465566   -0.0001231  6.717e-05   108 LYS   B CE   
1398 N NZ   . LYS   A 96  ? 0.504629 0.46558  0.387322  0.0571135   -0.00085416 0.00255625  108 LYS   B NZ   
1399 H H    . LYS   A 96  ? 0.234327 0.216885 0.176155  0.0121879   0.0015731   0.00014907  108 LYS   B H    
1400 H HA   . LYS   A 96  ? 0.250692 0.256657 0.18384   0.0257463   0.0080404   0.00584029  108 LYS   B HA   
1401 H HB2  . LYS   A 96  ? 0.307203 0.273657 0.22109   0.0277898   0.00062679  -0.00214281 108 LYS   B HB2  
1402 H HB3  . LYS   A 96  ? 0.314013 0.292354 0.219587  0.0391772   0.00318435  -0.00114738 108 LYS   B HB3  
1403 H HG2  . LYS   A 96  ? 0.327693 0.334318 0.254623  0.0357729   0.00456682  0.00047941  108 LYS   B HG2  
1404 H HG3  . LYS   A 96  ? 0.322599 0.314215 0.250622  0.0258195   0.00298922  -0.00070026 108 LYS   B HG3  
1405 H HD2  . LYS   A 96  ? 0.373239 0.331386 0.273755  0.0373493   0.00218912  -0.00075132 108 LYS   B HD2  
1406 H HD3  . LYS   A 96  ? 0.378641 0.350647 0.276012  0.0495529   0.00182047  -0.00133858 108 LYS   B HD3  
1407 H HE2  . LYS   A 96  ? 0.404849 0.405976 0.315499  0.0502202   -0.00144387 -0.00101072 108 LYS   B HE2  
1408 H HE3  . LYS   A 96  ? 0.405124 0.387505 0.309966  0.0401336   0.00015378  -0.00026015 108 LYS   B HE3  
1409 H HZ1  . LYS   A 96  ? 0.48061  0.442045 0.361252  0.0643285   -0.00146447 0.00158121  108 LYS   B HZ1  
1410 H HZ2  . LYS   A 96  ? 0.481181 0.425018 0.359239  0.0524213   0.00134697  0.00366691  108 LYS   B HZ2  
1411 H HZ3  . LYS   A 96  ? 0.483198 0.446473 0.360439  0.0617341   -0.00291909 0.0039297   108 LYS   B HZ3  
1412 N N    . PRO   A 97  ? 0.265725 0.251787 0.164674  0.0379239   0.00583779  0.00491898  109 PRO   B N    
1413 C CA   . PRO   A 97  ? 0.271782 0.249449 0.15043   0.0440205   0.00362481  0.00502066  109 PRO   B CA   
1414 C C    . PRO   A 97  ? 0.265875 0.221869 0.133779  0.0458505   -0.00811385 -0.00472261 109 PRO   B C    
1415 O O    . PRO   A 97  ? 0.291551 0.240519 0.149253  0.047102    -0.0154661  -0.00571992 109 PRO   B O    
1416 C CB   . PRO   A 97  ? 0.316929 0.305202 0.180793  0.0564055   0.0128947   0.00601827  109 PRO   B CB   
1417 C CG   . PRO   A 97  ? 0.302704 0.306359 0.18458   0.0569134   0.0179144   0.00561662  109 PRO   B CG   
1418 C CD   . PRO   A 97  ? 0.299081 0.303413 0.201954  0.0447053   0.0134618   0.00633026  109 PRO   B CD   
1419 H HA   . PRO   A 97  ? 0.2744   0.254777 0.15674   0.0396475   0.00426405  0.0106322   109 PRO   B HA   
1420 H HB2  . PRO   A 97  ? 0.325597 0.302872 0.172338  0.0643593   0.00920857  -0.00029222 109 PRO   B HB2  
1421 H HB3  . PRO   A 97  ? 0.315751 0.311946 0.176679  0.0564705   0.0190607   0.0128266   109 PRO   B HB3  
1422 H HG2  . PRO   A 97  ? 0.314654 0.311241 0.188066  0.0646505   0.0157321   -5.11e-06   109 PRO   B HG2  
1423 H HG3  . PRO   A 97  ? 0.306632 0.327088 0.194744  0.0586126   0.0262146   0.00999753  109 PRO   B HG3  
1424 H HD2  . PRO   A 97  ? 0.28517  0.287075 0.189062  0.0473122   0.0111977   0.00293052  109 PRO   B HD2  
1425 H HD3  . PRO   A 97  ? 0.277647 0.296087 0.195167  0.039419    0.0175812   0.0105898   109 PRO   B HD3  
1426 N N    . GLU   A 98  ? 0.2844   0.229716 0.156182  0.0456923   -0.0102659  -0.0110601  110 GLU   B N    
1427 C CA   . GLU   A 98  ? 0.323291 0.24703  0.191376  0.0451236   -0.0204076  -0.0210423  110 GLU   B CA   
1428 C C    . GLU   A 98  ? 0.280696 0.202953 0.168111  0.0333466   -0.0272315  -0.0218084  110 GLU   B C    
1429 O O    . GLU   A 98  ? 0.312682 0.222672 0.201498  0.0323712   -0.0381342  -0.0309758  110 GLU   B O    
1430 C CB   . GLU   A 98  ? 0.397336 0.306385 0.268284  0.0454476   -0.0186714  -0.0242424  110 GLU   B CB   
1431 C CG   . GLU   A 98  ? 0.468195 0.375368 0.321521  0.06026     -0.0146852  -0.0260731  110 GLU   B CG   
1432 C CD   . GLU   A 98  ? 0.539713 0.470997 0.396736  0.0651512   -0.00518805 -0.0177513  110 GLU   B CD   
1433 O OE1  . GLU   A 98  ? 0.331817 0.279059 0.20492   0.0565804   -0.00162379 -0.0106575  110 GLU   B OE1  
1434 O OE2  . GLU   A 98  ? 0.548312 0.484001 0.392778  0.0791618   -0.00175329 -0.0205967  110 GLU   B OE2  
1435 H H    . GLU   A 98  ? 0.278511 0.229268 0.156008  0.0457687   -0.00573655 -0.00901234 110 GLU   B H    
1436 H HA   . GLU   A 98  ? 0.339975 0.258936 0.191906  0.0526985   -0.024303   -0.0256691  110 GLU   B HA   
1437 H HB2  . GLU   A 98  ? 0.376032 0.290275 0.258042  0.039705    -0.0142021  -0.0191003  110 GLU   B HB2  
1438 H HB3  . GLU   A 98  ? 0.398579 0.293129 0.27273   0.0421182   -0.0246143  -0.0303915  110 GLU   B HB3  
1439 H HG2  . GLU   A 98  ? 0.483128 0.37435  0.335949  0.0613657   -0.0159403  -0.0289082  110 GLU   B HG2  
1440 H HG3  . GLU   A 98  ? 0.486502 0.391504 0.32654   0.0670153   -0.0175658  -0.0311671  110 GLU   B HG3  
1441 N N    . TYR   A 99  ? 0.272575 0.208109 0.176422  0.025629    -0.0224618  -0.014241   111 TYR   B N    
1442 C CA   . TYR   A 99  ? 0.253947 0.190319 0.178654  0.0168129   -0.0279266  -0.0154802  111 TYR   B CA   
1443 C C    . TYR   A 99  ? 0.271733 0.215803 0.194091  0.0188625   -0.0312247  -0.00921466 111 TYR   B C    
1444 O O    . TYR   A 99  ? 0.253995 0.200932 0.194754  0.0137312   -0.0350699  -0.00823034 111 TYR   B O    
1445 C CB   . TYR   A 99  ? 0.252122 0.193165 0.197253  0.00754825  -0.019734   -0.0134399  111 TYR   B CB   
1446 C CG   . TYR   A 99  ? 0.244611 0.173207 0.190597  0.00512227  -0.0158254  -0.0168445  111 TYR   B CG   
1447 C CD1  . TYR   A 99  ? 0.249327 0.173624 0.179243  0.0110787   -0.0101505  -0.0138797  111 TYR   B CD1  
1448 C CD2  . TYR   A 99  ? 0.29365  0.214106 0.258469  -0.00273106 -0.0176034  -0.0223198  111 TYR   B CD2  
1449 C CE1  . TYR   A 99  ? 0.274949 0.182614 0.20183   0.0104178   -0.00643278 -0.0143298  111 TYR   B CE1  
1450 C CE2  . TYR   A 99  ? 0.306189 0.211534 0.272016  -0.00616858 -0.01147    -0.0227546  111 TYR   B CE2  
1451 C CZ   . TYR   A 99  ? 0.306198 0.202674 0.25025   0.00081193  -0.00561464 -0.0175957  111 TYR   B CZ   
1452 O OH   . TYR   A 99  ? 0.342146 0.217502 0.283438  -0.00091433 -5.687e-05  -0.0159969  111 TYR   B OH   
1453 H H    . TYR   A 99  ? 0.259625 0.204368 0.163506  0.0262779   -0.0158546  -0.00913441 111 TYR   B H    
1454 H HA   . TYR   A 99  ? 0.270728 0.198456 0.198209  0.0162231   -0.0352748  -0.0223951  111 TYR   B HA   
1455 H HB2  . TYR   A 99  ? 0.238027 0.187155 0.180597  0.00833234  -0.0141601  -0.00869495 111 TYR   B HB2  
1456 H HB3  . TYR   A 99  ? 0.239561 0.183218 0.199667  0.00295135  -0.0223375  -0.0146018  111 TYR   B HB3  
1457 H HD1  . TYR   A 99  ? 0.250817 0.183473 0.172232  0.0163116   -0.00877812 -0.010998   111 TYR   B HD1  
1458 H HD2  . TYR   A 99  ? 0.277779 0.203108 0.256774  -0.00589428 -0.0225772  -0.025261   111 TYR   B HD2  
1459 H HE1  . TYR   A 99  ? 0.284605 0.188596 0.199356  0.0164325   -0.0037688  -0.0117419  111 TYR   B HE1  
1460 H HE2  . TYR   A 99  ? 0.306927 0.207591 0.289331  -0.01295    -0.0111594  -0.0260879  111 TYR   B HE2  
1462 N N    . ALA   A 100 ? 0.283015 0.229405 0.181394  0.0277824   -0.0286075  -0.00380009 112 ALA   B N    
1463 C CA   . ALA   A 100 ? 0.27311  0.222526 0.164167  0.0304021   -0.0291095  0.00582572  112 ALA   B CA   
1464 C C    . ALA   A 100 ? 0.299528 0.242223 0.155779  0.0433798   -0.0339073  0.00541111  112 ALA   B C    
1465 O O    . ALA   A 100 ? 0.32365  0.256584 0.171854  0.047831    -0.0487453  -0.00404576 112 ALA   B O    
1466 C CB   . ALA   A 100 ? 0.284406 0.246135 0.184539  0.0258551   -0.0150308  0.0166644   112 ALA   B CB   
1467 H H    . ALA   A 100 ? 0.285473 0.230739 0.171692  0.0327327   -0.0255396  -0.00558539 112 ALA   B H    
1468 H HA   . ALA   A 100 ? 0.276822 0.223767 0.180193  0.0271652   -0.0361246  0.00486807  112 ALA   B HA   
1469 H HB1  . ALA   A 100 ? 0.26162  0.225846 0.181379  0.0186315   -0.0145391  0.0159389   112 ALA   B HB1  
1470 H HB2  . ALA   A 100 ? 0.275604 0.242884 0.171253  0.0280383   -0.00867177 0.0158152   112 ALA   B HB2  
1471 H HB3  . ALA   A 100 ? 0.288694 0.250238 0.180534  0.0282216   -0.0129158  0.024818    112 ALA   B HB3  
1472 N N    . TYR   A 101 ? 0.315718 0.264932 0.152138  0.0499814   -0.0211397  0.0134471   113 TYR   B N    
1473 C CA   . TYR   A 101 ? 0.346847 0.290073 0.144119  0.064183    -0.0224948  0.0146161   113 TYR   B CA   
1474 C C    . TYR   A 101 ? 0.346019 0.290387 0.124327  0.0742348   -0.0162509  0.00578906  113 TYR   B C    
1475 O O    . TYR   A 101 ? 0.385192 0.32512  0.128165  0.0877492   -0.0155452  0.00430695  113 TYR   B O    
1476 C CB   . TYR   A 101 ? 0.360932 0.308299 0.144611  0.0664022   -0.0106256  0.0334134   113 TYR   B CB   
1477 C CG   . TYR   A 101 ? 0.340677 0.281735 0.138686  0.0598921   -0.0177782  0.042835    113 TYR   B CG   
1478 C CD1  . TYR   A 101 ? 0.37168  0.2993   0.150516  0.0683026   -0.0356606  0.0411607   113 TYR   B CD1  
1479 C CD2  . TYR   A 101 ? 0.313518 0.261376 0.147698  0.0462772   -0.0107374  0.0491185   113 TYR   B CD2  
1480 C CE1  . TYR   A 101 ? 0.394286 0.315396 0.187263  0.0652223   -0.0439229  0.0491963   113 TYR   B CE1  
1481 C CE2  . TYR   A 101 ? 0.310372 0.249906 0.158792  0.0420841   -0.0178312  0.0559767   113 TYR   B CE2  
1482 C CZ   . TYR   A 101 ? 0.342295 0.268738 0.172328  0.0516451   -0.0343899  0.0561013   113 TYR   B CZ   
1483 O OH   . TYR   A 101 ? 0.39915  0.317336 0.244967  0.049869    -0.0421755  0.062642    113 TYR   B OH   
1484 H H    . TYR   A 101 ? 0.300821 0.259336 0.148231  0.0460799   -0.0111047  0.0177725   113 TYR   B H    
1485 H HA   . TYR   A 101 ? 0.356804 0.290407 0.14669   0.0672753   -0.0365828  0.0080111   113 TYR   B HA   
1486 H HB2  . TYR   A 101 ? 0.346313 0.305015 0.141416  0.0623685   0.00321004  0.0391573   113 TYR   B HB2  
1487 H HB3  . TYR   A 101 ? 0.386594 0.329163 0.139493  0.0772383   -0.0107882  0.0341678   113 TYR   B HB3  
1488 H HD1  . TYR   A 101 ? 0.397332 0.319868 0.150691  0.0780182   -0.0426518  0.0346592   113 TYR   B HD1  
1489 H HD2  . TYR   A 101 ? 0.296844 0.254871 0.14518   0.0409159   -0.00104965 0.0488184   113 TYR   B HD2  
1490 H HE1  . TYR   A 101 ? 0.40315  0.316202 0.182637  0.0727729   -0.0575648  0.0479977   113 TYR   B HE1  
1491 H HE2  . TYR   A 101 ? 0.297697 0.24061  0.169734  0.0334331   -0.012864   0.0589061   113 TYR   B HE2  
1493 N N    . GLY   A 102 ? 0.333984 0.282452 0.132664  0.0697508   -0.0123701  -0.00051495 114 GLY   B N    
1494 C CA   . GLY   A 102 ? 0.364099 0.306934 0.148064  0.0804392   -0.011683   -0.0122229  114 GLY   B CA   
1495 C C    . GLY   A 102 ? 0.394602 0.351142 0.159292  0.0929544   0.00498022  -0.0073505  114 GLY   B C    
1496 O O    . GLY   A 102 ? 0.371807 0.345041 0.140909  0.0902489   0.0189182   0.00699957  114 GLY   B O    
1497 H H    . GLY   A 102 ? 0.312651 0.266382 0.133922  0.0607298   -0.0102971  0.00253927  114 GLY   B H    
1498 H HA2  . GLY   A 102 ? 0.345948 0.28848  0.147632  0.0755569   -0.0113753  -0.0150513  114 GLY   B HA2  
1499 H HA3  . GLY   A 102 ? 0.380645 0.309944 0.150538  0.0850191   -0.0229116  -0.0217264  114 GLY   B HA3  
1500 N N    . SER   A 103 ? 0.417781 0.364946 0.158723  0.107442    0.00317691  -0.020092   115 SER   B N    
1501 C CA   . SER   A 103 ? 0.412016 0.373292 0.134552  0.122132    0.0203512   -0.0182612  115 SER   B CA   
1502 C C    . SER   A 103 ? 0.424282 0.387001 0.112     0.12979     0.0266082   -0.0101302  115 SER   B C    
1503 O O    . SER   A 103 ? 0.442124 0.422258 0.120131  0.136842    0.0468278   -0.00059072 115 SER   B O    
1504 C CB   . SER   A 103 ? 0.431445 0.380042 0.141316  0.136549    0.0164241   -0.0358375  115 SER   B CB   
1505 O OG   . SER   A 103 ? 0.497011 0.420482 0.178325  0.142981    -0.00048985 -0.0504538  115 SER   B OG   
1506 H H    . SER   A 103 ? 0.418459 0.350286 0.15599   0.108416    -0.00834855 -0.0308014  115 SER   B H    
1507 H HA   . SER   A 103 ? 0.393465 0.37236  0.137663  0.117232    0.0313089   -0.00988143 115 SER   B HA   
1508 H HB2  . SER   A 103 ? 0.452001 0.412519 0.153021  0.147083    0.0290077   -0.0351248  115 SER   B HB2  
1509 H HB3  . SER   A 103 ? 0.420187 0.365748 0.151265  0.131319    0.0128288   -0.0381151  115 SER   B HB3  
1511 N N    . ALA   A 104 ? 0.427801 0.37152  0.0922285 0.131006    0.00925779  -0.0144488  116 ALA   B N    
1512 C CA   . ALA   A 104 ? 0.46202  0.404078 0.0867138 0.140714    0.0137865   -0.00492291 116 ALA   B CA   
1513 C C    . ALA   A 104 ? 0.441369 0.396392 0.0792303 0.130016    0.0288083   0.0202656   116 ALA   B C    
1514 O O    . ALA   A 104 ? 0.473097 0.430808 0.0789044 0.138669    0.0435105   0.0342935   116 ALA   B O    
1515 C CB   . ALA   A 104 ? 0.496361 0.416156 0.0951308 0.145829    -0.0125104  -0.0164272  116 ALA   B CB   
1516 H H    . ALA   A 104 ? 0.422436 0.354422 0.0960908 0.126196    -0.00555991 -0.0232004  116 ALA   B H    
1517 H HA   . ALA   A 104 ? 0.487443 0.433482 0.0891082 0.153342    0.0246713   -0.00770785 116 ALA   B HA   
1518 H HB1  . ALA   A 104 ? 0.507554 0.417576 0.0957942 0.153106    -0.0217937  -0.0332239  116 ALA   B HB1  
1519 H HB2  . ALA   A 104 ? 0.469876 0.38719  0.0938783 0.13419     -0.0229123  -0.0151018  116 ALA   B HB2  
1520 H HB3  . ALA   A 104 ? 0.52423  0.441845 0.0921465 0.154019    -0.0102312  -0.00888392 116 ALA   B HB3  
1521 N N    . GLY   A 105 ? 0.434703 0.393194 0.115525  0.112257    0.0235381   0.0247639   117 GLY   B N    
1522 C CA   . GLY   A 105 ? 0.421242 0.384813 0.118301  0.100713    0.0316917   0.0451283   117 GLY   B CA   
1523 C C    . GLY   A 105 ? 0.447491 0.392531 0.116494  0.105407    0.0178865   0.0518904   117 GLY   B C    
1524 O O    . GLY   A 105 ? 0.467604 0.397417 0.1109    0.11541     -0.00329512 0.0381245   117 GLY   B O    
1525 H H    . GLY   A 105 ? 0.402345 0.358581 0.10244   0.107362    0.0149854   0.014925    117 GLY   B H    
1526 H HA2  . GLY   A 105 ? 0.389371 0.357182 0.119904  0.0887634   0.0285978   0.0443236   117 GLY   B HA2  
1527 H HA3  . GLY   A 105 ? 0.429568 0.404985 0.125156  0.101697    0.0500785   0.0557025   117 GLY   B HA3  
1528 N N    . SER   A 106 ? 0.471203 0.417408 0.141053  0.100376    0.031773    0.0747804   118 SER   B N    
1529 C CA   . SER   A 106 ? 0.481819 0.409309 0.121716  0.107111    0.0218741   0.0869654   118 SER   B CA   
1530 C C    . SER   A 106 ? 0.51955  0.447983 0.150124  0.104979    0.0476584   0.11507     118 SER   B C    
1531 O O    . SER   A 106 ? 0.519421 0.441964 0.17516   0.0931093   0.0508363   0.131023    118 SER   B O    
1532 C CB   . SER   A 106 ? 0.459775 0.378247 0.131815  0.0972352   -0.00060661 0.0823789   118 SER   B CB   
1533 O OG   . SER   A 106 ? 0.495136 0.3949   0.129763  0.110298    -0.0158026  0.08985     118 SER   B OG   
1534 H H    . SER   A 106 ? 0.448112 0.406439 0.139034  0.092682    0.0472236   0.08284     118 SER   B H    
1535 H HA   . SER   A 106 ? 0.520437 0.43987  0.123731  0.120858    0.013128    0.0797564   118 SER   B HA   
1536 H HB2  . SER   A 106 ? 0.43569  0.35626  0.121606  0.0953617   -0.0126547  0.0657253   118 SER   B HB2  
1537 H HB3  . SER   A 106 ? 0.435318 0.358249 0.136882  0.0855638   0.00776872  0.0911562   118 SER   B HB3  
1539 N N    . LEU   A 107 ? 0.541828 0.474904 0.132548  0.117819    0.0673648   0.122164    119 LEU   B N    
1540 C CA   . LEU   A 107 ? 0.578961 0.515975 0.165487  0.113928    0.097885    0.149842    119 LEU   B CA   
1541 C C    . LEU   A 107 ? 0.646792 0.555892 0.199294  0.119963    0.090287    0.17054     119 LEU   B C    
1542 O O    . LEU   A 107 ? 0.698305 0.589434 0.200419  0.138438    0.0689934   0.164345    119 LEU   B O    
1543 C CB   . LEU   A 107 ? 0.619504 0.570564 0.171637  0.127696    0.123055    0.151413    119 LEU   B CB   
1544 C CG   . LEU   A 107 ? 0.579889 0.561065 0.1731    0.121844    0.135208    0.135852    119 LEU   B CG   
1545 C CD1  . LEU   A 107 ? 0.631363 0.6258   0.187175  0.138824    0.161353    0.138087    119 LEU   B CD1  
1546 C CD2  . LEU   A 107 ? 0.546905 0.548747 0.210228  0.0984017   0.146883    0.142178    119 LEU   B CD2  
1547 H H    . LEU   A 107 ? 0.56128  0.494781 0.128243  0.12891     0.0626959   0.109538    119 LEU   B H    
1548 H HA   . LEU   A 107 ? 0.549644 0.497866 0.180609  0.0984555   0.106101    0.153334    119 LEU   B HA   
1549 H HB2  . LEU   A 107 ? 0.648619 0.589172 0.158235  0.14352     0.111549    0.142194    119 LEU   B HB2  
1550 H HB3  . LEU   A 107 ? 0.648982 0.599054 0.190489  0.126804    0.143531    0.172267    119 LEU   B HB3  
1551 H HG   . LEU   A 107 ? 0.563942 0.542268 0.159878  0.124992    0.115746    0.116285    119 LEU   B HG   
1552 H HD11 . LEU   A 107 ? 0.660322 0.640992 0.170844  0.154577    0.150792    0.129981    119 LEU   B HD11 
1553 H HD12 . LEU   A 107 ? 0.605191 0.618891 0.186977  0.137417    0.167396    0.12701     119 LEU   B HD12 
1554 H HD13 . LEU   A 107 ? 0.65299  0.650344 0.204325  0.136       0.182852    0.158365    119 LEU   B HD13 
1555 H HD21 . LEU   A 107 ? 0.512027 0.506885 0.197602  0.0899079   0.128889    0.135365    119 LEU   B HD21 
1556 H HD22 . LEU   A 107 ? 0.559205 0.560882 0.2265    0.0921818   0.163583    0.161396    119 LEU   B HD22 
1557 H HD23 . LEU   A 107 ? 0.525442 0.547466 0.207665  0.098638    0.155403    0.133322    119 LEU   B HD23 
1558 N N    . PRO   A 108 ? 0.682214 0.58625  0.247087  0.109534    0.11293     0.198882    120 PRO   B N    
1559 C CA   . PRO   A 108 ? 0.659387 0.58687  0.271195  0.0918691   0.143563    0.20815     120 PRO   B CA   
1560 C C    . PRO   A 108 ? 0.602964 0.539444 0.285985  0.0692346   0.134949    0.199464    120 PRO   B C    
1561 O O    . PRO   A 108 ? 0.604808 0.5646   0.33319   0.0545612   0.153556    0.200041    120 PRO   B O    
1562 C CB   . PRO   A 108 ? 0.727819 0.639992 0.31182   0.0929021   0.171359    0.243639    120 PRO   B CB   
1563 C CG   . PRO   A 108 ? 0.766822 0.642676 0.320588  0.10124     0.14567     0.252878    120 PRO   B CG   
1564 C CD   . PRO   A 108 ? 0.75295  0.6266   0.276934  0.118235    0.111876    0.225018    120 PRO   B CD   
1565 H HA   . PRO   A 108 ? 0.655398 0.600901 0.264179  0.0964439   0.152695    0.198332    120 PRO   B HA   
1566 H HB2  . PRO   A 108 ? 0.714974 0.6354   0.339299  0.0768125   0.187931    0.253832    120 PRO   B HB2  
1567 H HB3  . PRO   A 108 ? 0.764985 0.680919 0.310756  0.105284    0.185689    0.248343    120 PRO   B HB3  
1568 H HG2  . PRO   A 108 ? 0.736685 0.607459 0.32975   0.0879096   0.13903     0.254371    120 PRO   B HG2  
1569 H HG3  . PRO   A 108 ? 0.81505  0.674733 0.330531  0.10952     0.157555    0.274288    120 PRO   B HG3  
1570 H HD2  . PRO   A 108 ? 0.739343 0.600438 0.27316   0.117322    0.0899939   0.220733    120 PRO   B HD2  
1571 H HD3  . PRO   A 108 ? 0.795005 0.661177 0.266865  0.135237    0.112391    0.22789     120 PRO   B HD3  
1572 N N    . LYS   A 109 ? 0.615395 0.536679 0.309393  0.067593    0.105938    0.188286    121 LYS   B N    
1573 C CA   . LYS   A 109 ? 0.576713 0.50366  0.332604  0.0476549   0.0995746   0.181227    121 LYS   B CA   
1574 C C    . LYS   A 109 ? 0.521254 0.475358 0.312039  0.0410482   0.0956568   0.156741    121 LYS   B C    
1575 O O    . LYS   A 109 ? 0.513059 0.480963 0.353493  0.0245386   0.10115     0.153528    121 LYS   B O    
1576 C CB   . LYS   A 109 ? 0.624725 0.529437 0.385217  0.048592    0.0726821   0.176606    121 LYS   B CB   
1577 C CG   . LYS   A 109 ? 0.746433 0.621333 0.48406   0.0529202   0.0758674   0.203588    121 LYS   B CG   
1578 C CD   . LYS   A 109 ? 0.736397 0.591505 0.49118   0.0529598   0.0506926   0.19927     121 LYS   B CD   
1579 C CE   . LYS   A 109 ? 0.818028 0.6408   0.549894  0.0587047   0.0551178   0.22853     121 LYS   B CE   
1580 N NZ   . LYS   A 109 ? 0.842519 0.646833 0.549289  0.0762109   0.0253811   0.224416    121 LYS   B NZ   
1581 H H    . LYS   A 109 ? 0.624211 0.532503 0.288082  0.0792149   0.089952    0.184122    121 LYS   B H    
1582 H HA   . LYS   A 109 ? 0.590983 0.518403 0.366333  0.0373868   0.116301    0.195986    121 LYS   B HA   
1583 H HB2  . LYS   A 109 ? 0.623415 0.526426 0.363491  0.0589737   0.0565136   0.164002    121 LYS   B HB2  
1584 H HB3  . LYS   A 109 ? 0.589947 0.500712 0.389592  0.0367548   0.0685784   0.168125    121 LYS   B HB3  
1585 H HG2  . LYS   A 109 ? 0.734825 0.610377 0.490121  0.0425218   0.0948969   0.217659    121 LYS   B HG2  
1586 H HG3  . LYS   A 109 ? 0.765401 0.632585 0.458397  0.0670847   0.0763596   0.210691    121 LYS   B HG3  
1587 H HD2  . LYS   A 109 ? 0.738136 0.593704 0.477682  0.0629751   0.0321302   0.185937    121 LYS   B HD2  
1588 H HD3  . LYS   A 109 ? 0.707841 0.57031  0.504176  0.0399543   0.0503087   0.19075     121 LYS   B HD3  
1589 H HE2  . LYS   A 109 ? 0.80461  0.621478 0.570065  0.0461585   0.0618924   0.234713    121 LYS   B HE2  
1590 H HE3  . LYS   A 109 ? 0.84832  0.667719 0.548949  0.0639568   0.0708125   0.244088    121 LYS   B HE3  
1591 H HZ1  . LYS   A 109 ? 0.807531 0.61737  0.544192  0.0716382   0.0122031   0.209237    121 LYS   B HZ1  
1592 H HZ2  . LYS   A 109 ? 0.853945 0.662132 0.528129  0.0880397   0.0184171   0.218945    121 LYS   B HZ2  
1593 H HZ3  . LYS   A 109 ? 0.874814 0.658146 0.569149  0.0804653   0.0266113   0.24222     121 LYS   B HZ3  
1594 N N    . ILE   A 110 ? 0.484134 0.442161 0.250223  0.0540643   0.0817569   0.137673    122 ILE   B N    
1595 C CA   . ILE   A 110 ? 0.421936 0.398146 0.217354  0.0494297   0.0744757   0.115741    122 ILE   B CA   
1596 C C    . ILE   A 110 ? 0.44345  0.436231 0.218352  0.0613755   0.0863309   0.108387    122 ILE   B C    
1597 O O    . ILE   A 110 ? 0.429771 0.412072 0.159501  0.0777211   0.0806496   0.103735    122 ILE   B O    
1598 C CB   . ILE   A 110 ? 0.406329 0.370774 0.201065  0.0521553   0.0472195   0.0972499   122 ILE   B CB   
1599 C CG1  . ILE   A 110 ? 0.440367 0.385499 0.243037  0.047691    0.0331896   0.103854    122 ILE   B CG1  
1600 C CG2  . ILE   A 110 ? 0.396618 0.377303 0.226031  0.0442778   0.0440311   0.080081    122 ILE   B CG2  
1601 C CD1  . ILE   A 110 ? 0.410955 0.361577 0.262218  0.0300742   0.0382705   0.106455    122 ILE   B CD1  
1602 H H    . ILE   A 110 ? 0.513927 0.461384 0.243447  0.0663242   0.0763693   0.138677    122 ILE   B H    
1603 H HA   . ILE   A 110 ? 0.407407 0.393564 0.237969  0.0373089   0.0801415   0.11684     122 ILE   B HA   
1604 H HB   . ILE   A 110 ? 0.435477 0.394102 0.199619  0.0638716   0.0410648   0.0918492   122 ILE   B HB   
1605 H HG12 . ILE   A 110 ? 0.465049 0.399274 0.244027  0.053647    0.0367167   0.117309    122 ILE   B HG12 
1606 H HG13 . ILE   A 110 ? 0.425789 0.365317 0.22542   0.0513415   0.0168579   0.0922282   122 ILE   B HG13 
1607 H HG21 . ILE   A 110 ? 0.370162 0.343671 0.207965  0.0418341   0.0301649   0.0715526   122 ILE   B HG21 
1608 H HG22 . ILE   A 110 ? 0.371501 0.362985 0.227204  0.0348952   0.0533243   0.0845083   122 ILE   B HG22 
1609 H HG23 . ILE   A 110 ? 0.388938 0.375858 0.205577  0.0517321   0.0464528   0.0731204   122 ILE   B HG23 
1610 H HD11 . ILE   A 110 ? 0.382828 0.339642 0.252682  0.0259957   0.0303607   0.092836    122 ILE   B HD11 
1611 H HD12 . ILE   A 110 ? 0.42119  0.358153 0.274537  0.0287537   0.0337658   0.114325    122 ILE   B HD12 
1612 H HD13 . ILE   A 110 ? 0.410787 0.371951 0.27291   0.0246465   0.053655    0.113329    122 ILE   B HD13 
1613 N N    . PRO   A 111 ? 0.417672 0.436481 0.227164  0.0545729   0.100205    0.104659    123 PRO   B N    
1614 C CA   . PRO   A 111 ? 0.430988 0.467074 0.226803  0.0674417   0.111331    0.0964268   123 PRO   B CA   
1615 C C    . PRO   A 111 ? 0.371175 0.401375 0.16012   0.0756404   0.0909902   0.0736187   123 PRO   B C    
1616 O O    . PRO   A 111 ? 0.343868 0.362591 0.146436  0.0685787   0.0721421   0.0652516   123 PRO   B O    
1617 C CB   . PRO   A 111 ? 0.421493 0.488748 0.265063  0.0561593   0.131184    0.101749    123 PRO   B CB   
1618 C CG   . PRO   A 111 ? 0.412428 0.47725  0.298743  0.0374189   0.118607    0.100302    123 PRO   B CG   
1619 C CD   . PRO   A 111 ? 0.419397 0.452832 0.283267  0.03568     0.105051    0.107352    123 PRO   B CD   
1620 H HA   . PRO   A 111 ? 0.456603 0.487247 0.218832  0.07753     0.119841    0.103376    123 PRO   B HA   
1621 H HB2  . PRO   A 111 ? 0.41611  0.498226 0.266914  0.0621512   0.132454    0.0911826   123 PRO   B HB2  
1622 H HB3  . PRO   A 111 ? 0.448217 0.520749 0.28799   0.0552547   0.149299    0.115865    123 PRO   B HB3  
1623 H HG2  . PRO   A 111 ? 0.380341 0.449583 0.279123  0.0375017   0.10694     0.0867585   123 PRO   B HG2  
1624 H HG3  . PRO   A 111 ? 0.401503 0.480196 0.317119  0.0272982   0.130718    0.107932    123 PRO   B HG3  
1625 H HD2  . PRO   A 111 ? 0.388466 0.415916 0.266151  0.0306487   0.0900583   0.0982851   123 PRO   B HD2  
1626 H HD3  . PRO   A 111 ? 0.425679 0.454887 0.295664  0.0288671   0.114598    0.121802    123 PRO   B HD3  
1627 N N    . SER   A 112 ? 0.375058 0.413385 0.143948  0.0910444   0.0977854   0.0642183   124 SER   B N    
1628 C CA   . SER   A 112 ? 0.357348 0.389193 0.124136  0.0987139   0.0818684   0.0436282   124 SER   B CA   
1629 C C    . SER   A 112 ? 0.331986 0.37636  0.145438  0.0863342   0.0764537   0.0388623   124 SER   B C    
1630 O O    . SER   A 112 ? 0.328026 0.397398 0.174752  0.0790287   0.0897115   0.0457068   124 SER   B O    
1631 C CB   . SER   A 112 ? 0.383761 0.423579 0.124035  0.118602    0.0940184   0.0356478   124 SER   B CB   
1632 O OG   . SER   A 112 ? 0.365766 0.398276 0.111343  0.125277    0.0800012   0.0166674   124 SER   B OG   
1633 H H    . SER   A 112 ? 0.399605 0.446619 0.155952  0.09717     0.113568    0.0711085   124 SER   B H    
1634 H HA   . SER   A 112 ? 0.366308 0.378546 0.11599   0.0999964   0.0665873   0.0381709   124 SER   B HA   
1635 H HB2  . SER   A 112 ? 0.414715 0.442354 0.119302  0.127585    0.0937518   0.036191    124 SER   B HB2  
1636 H HB3  . SER   A 112 ? 0.382849 0.444067 0.139039  0.11812     0.111294    0.0425895   124 SER   B HB3  
1638 N N    . ASN   A 113 ? 0.310716 0.338165 0.126434  0.0846938   0.0569834   0.0262611   125 ASN   B N    
1639 C CA   . ASN   A 113 ? 0.313152 0.347736 0.159591  0.0788979   0.0508885   0.0196112   125 ASN   B CA   
1640 C C    . ASN   A 113 ? 0.283993 0.33186  0.165711  0.0617517   0.0529565   0.0283773   125 ASN   B C    
1641 O O    . ASN   A 113 ? 0.284643 0.352894 0.195451  0.0586664   0.0556757   0.0264574   125 ASN   B O    
1642 C CB   . ASN   A 113 ? 0.32777  0.378895 0.180502  0.0916171   0.0581089   0.0127651   125 ASN   B CB   
1643 C CG   . ASN   A 113 ? 0.38143  0.412303 0.200607  0.108537    0.0524964   0.0003288   125 ASN   B CG   
1644 O OD1  . ASN   A 113 ? 0.415716 0.419535 0.217464  0.106688    0.0379908   -0.00604716 125 ASN   B OD1  
1645 N ND2  . ASN   A 113 ? 0.401083 0.444532 0.215468  0.124406    0.0625164   -0.00490846 125 ASN   B ND2  
1646 H H    . ASN   A 113 ? 0.32958  0.339747 0.125638  0.0876418   0.047198    0.0219972   125 ASN   B H    
1647 H HA   . ASN   A 113 ? 0.305096 0.322548 0.145348  0.0782053   0.0386896   0.0127294   125 ASN   B HA   
1648 H HB2  . ASN   A 113 ? 0.335473 0.405841 0.195831  0.0931841   0.0714236   0.0186165   125 ASN   B HB2  
1649 H HB3  . ASN   A 113 ? 0.31276  0.368302 0.184694  0.0879685   0.0529066   0.0100193   125 ASN   B HB3  
1650 H HD21 . ASN   A 113 ? 0.420208 0.450995 0.213426  0.13511     0.0600314   -0.0129166  125 ASN   B HD21 
1651 H HD22 . ASN   A 113 ? 0.391816 0.456915 0.225588  0.124757    0.0714903   -0.00132337 125 ASN   B HD22 
1652 N N    . ALA   A 114 ? 0.269019 0.304748 0.147857  0.0524999   0.0498318   0.0362664   126 ALA   B N    
1653 C CA   . ALA   A 114 ? 0.280438 0.324933 0.191739  0.036976    0.0522094   0.043539    126 ALA   B CA   
1654 C C    . ALA   A 114 ? 0.272767 0.308349 0.19939   0.0290074   0.0376774   0.0347487   126 ALA   B C    
1655 O O    . ALA   A 114 ? 0.271535 0.28741  0.183941  0.0301306   0.0263957   0.0298872   126 ALA   B O    
1656 C CB   . ALA   A 114 ? 0.299212 0.333827 0.202617  0.0320155   0.0576433   0.0578609   126 ALA   B CB   
1657 H H    . ALA   A 114 ? 0.293385 0.314801 0.150734  0.0564915   0.0451186   0.0362271   126 ALA   B H    
1658 H HA   . ALA   A 114 ? 0.272622 0.336235 0.202717  0.0354222   0.0606029   0.0447151   126 ALA   B HA   
1659 H HB1  . ALA   A 114 ? 0.318184 0.358341 0.209269  0.0373884   0.0690791   0.0647876   126 ALA   B HB1  
1660 H HB2  . ALA   A 114 ? 0.304851 0.322634 0.191718  0.0344507   0.047822    0.0561542   126 ALA   B HB2  
1661 H HB3  . ALA   A 114 ? 0.288615 0.327503 0.215761  0.0216087   0.0594974   0.0619004   126 ALA   B HB3  
1662 N N    . THR   A 115 ? 0.245923 0.297212 0.203803  0.0200138   0.0385609   0.0329197   127 THR   B N    
1663 C CA   . THR   A 115 ? 0.23248  0.276617 0.204266  0.0115252   0.0281884   0.0264114   127 THR   B CA   
1664 C C    . THR   A 115 ? 0.24577  0.284288 0.233941  -0.00018235 0.0293252   0.0329851   127 THR   B C    
1665 O O    . THR   A 115 ? 0.246882 0.296252 0.251633  -0.00595442 0.0390338   0.0411403   127 THR   B O    
1666 C CB   . THR   A 115 ? 0.245131 0.308188 0.236483  0.0110505   0.0261682   0.0188755   127 THR   B CB   
1667 O OG1  . THR   A 115 ? 0.22093  0.280767 0.193341  0.0234875   0.0229903   0.01371     127 THR   B OG1  
1668 C CG2  . THR   A 115 ? 0.246403 0.301807 0.245621  0.00427754  0.0166204   0.0112341   127 THR   B CG2  
1669 H H    . THR   A 115 ? 0.248893 0.316751 0.219774  0.019722    0.0459213   0.0349753   127 THR   B H    
1670 H HA   . THR   A 115 ? 0.238522 0.269091 0.196468  0.0146704   0.021787    0.0223672   127 THR   B HA   
1671 H HB   . THR   A 115 ? 0.236377 0.316461 0.245165  0.00849974  0.031968    0.0211908   127 THR   B HB   
1673 H HG21 . THR   A 115 ? 0.239298 0.304946 0.244369  0.0064964   0.0135347   0.00598887  127 THR   B HG21 
1674 H HG22 . THR   A 115 ? 0.243391 0.28387  0.227881  0.00650508  0.0131647   0.00978917  127 THR   B HG22 
1675 H HG23 . THR   A 115 ? 0.240819 0.295899 0.253881  -0.0038391  0.0172776   0.0127481   127 THR   B HG23 
1676 N N    . LEU   A 116 ? 0.212964 0.234184 0.198932  -0.00336905 0.0204724   0.0296522   128 LEU   B N    
1677 C CA   . LEU   A 116 ? 0.216887 0.226898 0.214912  -0.0108926  0.0191246   0.0348194   128 LEU   B CA   
1678 C C    . LEU   A 116 ? 0.213678 0.223505 0.233003  -0.0183333  0.0132747   0.0241628   128 LEU   B C    
1679 O O    . LEU   A 116 ? 0.211414 0.222269 0.224979  -0.0155171  0.00862037  0.0143652   128 LEU   B O    
1680 C CB   . LEU   A 116 ? 0.247649 0.238576 0.227019  -0.00550543 0.0125653   0.0389346   128 LEU   B CB   
1681 C CG   . LEU   A 116 ? 0.355207 0.340929 0.303515  0.00515822  0.013669    0.0457701   128 LEU   B CG   
1682 C CD1  . LEU   A 116 ? 0.36105  0.3286   0.29862   0.00911675  0.00338129  0.049776    128 LEU   B CD1  
1683 C CD2  . LEU   A 116 ? 0.346284 0.341106 0.290758  0.00559249  0.0275658   0.0575666   128 LEU   B CD2  
1684 H H    . LEU   A 116 ? 0.215284 0.231242 0.192882  -0.00011649 0.0152561   0.0236112   128 LEU   B H    
1685 H HA   . LEU   A 116 ? 0.229917 0.244813 0.236658  -0.0145506  0.0262757   0.0424251   128 LEU   B HA   
1686 H HB2  . LEU   A 116 ? 0.2512   0.238223 0.230879  -0.00480729 0.0059651   0.0308404   128 LEU   B HB2  
1687 H HB3  . LEU   A 116 ? 0.265641 0.249615 0.254552  -0.00948077 0.01235     0.0439013   128 LEU   B HB3  
1688 H HG   . LEU   A 116 ? 0.326628 0.314103 0.264984  0.00995064  0.0108395   0.0385826   128 LEU   B HG   
1689 H HD11 . LEU   A 116 ? 0.350412 0.315094 0.297591  0.00749266  -0.00438463 0.0414868   128 LEU   B HD11 
1690 H HD12 . LEU   A 116 ? 0.376607 0.340058 0.291405  0.0171118   0.00120179  0.0514928   128 LEU   B HD12 
1691 H HD13 . LEU   A 116 ? 0.370484 0.333518 0.314907  0.00590454  0.00657597  0.0585499   128 LEU   B HD13 
1692 H HD21 . LEU   A 116 ? 0.344297 0.352386 0.29371   0.00605536  0.0322112   0.0534477   128 LEU   B HD21 
1693 H HD22 . LEU   A 116 ? 0.354141 0.348241 0.314676  -0.00157288 0.0316885   0.0639326   128 LEU   B HD22 
1694 H HD23 . LEU   A 116 ? 0.372318 0.360737 0.293704  0.0129997   0.0285343   0.0632099   128 LEU   B HD23 
1695 N N    . PHE   A 117 ? 0.210776 0.21667  0.251973  -0.0269652  0.0146208   0.0268487   129 PHE   B N    
1696 C CA   . PHE   A 117 ? 0.200951 0.203318 0.260831  -0.0327966  0.00897873  0.0152256   129 PHE   B CA   
1697 C C    . PHE   A 117 ? 0.219886 0.202237 0.285533  -0.033637   0.00589862  0.0191588   129 PHE   B C    
1698 O O    . PHE   A 117 ? 0.229279 0.201793 0.29723   -0.0352538  0.00958672  0.032559    129 PHE   B O    
1699 C CB   . PHE   A 117 ? 0.202117 0.217614 0.288056  -0.0417148  0.0108444   0.0104456   129 PHE   B CB   
1700 C CG   . PHE   A 117 ? 0.202722 0.211677 0.307729  -0.0475659  0.00435051  -0.00335993 129 PHE   B CG   
1701 C CD1  . PHE   A 117 ? 0.256579 0.247786 0.379157  -0.0535148  0.00470516  0.00022313  129 PHE   B CD1  
1702 C CD2  . PHE   A 117 ? 0.22681  0.242887 0.325312  -0.0441647  -0.00185694 -0.0190869  129 PHE   B CD2  
1703 C CE1  . PHE   A 117 ? 0.256877 0.239436 0.394681  -0.0564173  -0.00156102 -0.0151889  129 PHE   B CE1  
1704 C CE2  . PHE   A 117 ? 0.250466 0.259707 0.360642  -0.0471061  -0.00713845 -0.0336084  129 PHE   B CE2  
1705 C CZ   . PHE   A 117 ? 0.239364 0.232289 0.370706  -0.053298   -0.00710095 -0.0328899  129 PHE   B CZ   
1706 H H    . PHE   A 117 ? 0.222062 0.226086 0.265769  -0.0288975  0.0198206   0.036231    129 PHE   B H    
1707 H HA   . PHE   A 117 ? 0.19603  0.200486 0.247853  -0.0293719  0.00556306  0.00717593  129 PHE   B HA   
1708 H HB2  . PHE   A 117 ? 0.195771 0.225324 0.278626  -0.0392719  0.0104999   0.00619601  129 PHE   B HB2  
1709 H HB3  . PHE   A 117 ? 0.210512 0.225451 0.305096  -0.0457712  0.0166876   0.020078    129 PHE   B HB3  
1710 H HD1  . PHE   A 117 ? 0.253806 0.237337 0.376406  -0.0545406  0.00923102  0.0128753   129 PHE   B HD1  
1711 H HD2  . PHE   A 117 ? 0.217971 0.243139 0.303243  -0.0392613  -0.00226111 -0.020087   129 PHE   B HD2  
1712 H HE1  . PHE   A 117 ? 0.265446 0.234382 0.416947  -0.0600105  -0.00161791 -0.0132811  129 PHE   B HE1  
1713 H HE2  . PHE   A 117 ? 0.240651 0.254814 0.342541  -0.0438496  -0.0106155  -0.0439729  129 PHE   B HE2  
1714 H HZ   . PHE   A 117 ? 0.252632 0.239932 0.391628  -0.0542262  -0.010737   -0.0442998  129 PHE   B HZ   
1715 N N    . PHE   A 118 ? 0.200604 0.176843 0.270935  -0.0322549  0.00024888  0.00789594  130 PHE   B N    
1716 C CA   . PHE   A 118 ? 0.217578 0.176949 0.300456  -0.031791   -0.00348846 0.00910995  130 PHE   B CA   
1717 C C    . PHE   A 118 ? 0.245092 0.202626 0.34601   -0.0344022  -0.00564978 -0.00705718 130 PHE   B C    
1718 O O    . PHE   A 118 ? 0.21508  0.182871 0.309811  -0.033216   -0.00512251 -0.0190888  130 PHE   B O    
1719 C CB   . PHE   A 118 ? 0.24258  0.19549  0.313953  -0.023064   -0.00914203 0.0116934   130 PHE   B CB   
1720 C CG   . PHE   A 118 ? 0.209947 0.160017 0.258521  -0.0170211  -0.0105935  0.0251954   130 PHE   B CG   
1721 C CD1  . PHE   A 118 ? 0.230559 0.190981 0.25909   -0.0141837  -0.00881133 0.0241629   130 PHE   B CD1  
1722 C CD2  . PHE   A 118 ? 0.249953 0.184645 0.293705  -0.0125066  -0.0139564  0.0388588   130 PHE   B CD2  
1723 C CE1  . PHE   A 118 ? 0.241128 0.197889 0.246052  -0.00713215 -0.0104888  0.033607    130 PHE   B CE1  
1724 C CE2  . PHE   A 118 ? 0.270293 0.201807 0.286391  -0.00471603 -0.0159513  0.0498328   130 PHE   B CE2  
1725 C CZ   . PHE   A 118 ? 0.269737 0.212843 0.266669  -0.00213107 -0.01426    0.0458924   130 PHE   B CZ   
1726 H H    . PHE   A 118 ? 0.197293 0.179755 0.263014  -0.0308119  -0.00064838 -0.00024924 130 PHE   B H    
1727 H HA   . PHE   A 118 ? 0.237458 0.189669 0.325973  -0.0345845  -0.0013982  0.0184626   130 PHE   B HA   
1728 H HB2  . PHE   A 118 ? 0.216066 0.175718 0.284747  -0.021814   -0.00945981 0.00321308  130 PHE   B HB2  
1729 H HB3  . PHE   A 118 ? 0.233049 0.17656  0.316043  -0.0217155  -0.0124552  0.0110079   130 PHE   B HB3  
1730 H HD1  . PHE   A 118 ? 0.212324 0.180729 0.242024  -0.0161218  -0.00672376 0.0167548   130 PHE   B HD1  
1731 H HD2  . PHE   A 118 ? 0.254471 0.179602 0.311895  -0.0134792  -0.0155468  0.0400419   130 PHE   B HD2  
1732 H HE1  . PHE   A 118 ? 0.241109 0.203143 0.233101  -0.00446542 -0.00967345 0.0314413   130 PHE   B HE1  
1733 H HE2  . PHE   A 118 ? 0.290398 0.210389 0.298963  -0.00023805 -0.0186017  0.0599153   130 PHE   B HE2  
1734 H HZ   . PHE   A 118 ? 0.280697 0.221001 0.257006  0.00401666  -0.0156409  0.051873    130 PHE   B HZ   
1735 N N    . GLU   A 119 ? 0.231397 0.173302 0.351873  -0.0366074  -0.00758948 -0.0068412  131 GLU   B N    
1736 C CA   . GLU   A 119 ? 0.242148 0.177916 0.377346  -0.0344318  -0.0103315  -0.0225275  131 GLU   B CA   
1737 C C    . GLU   A 119 ? 0.279917 0.204416 0.418883  -0.0256137  -0.0145462  -0.0172144  131 GLU   B C    
1738 O O    . GLU   A 119 ? 0.300636 0.209643 0.441183  -0.0238388  -0.0174687  -0.00186618 131 GLU   B O    
1739 C CB   . GLU   A 119 ? 0.281723 0.20882  0.438392  -0.042306   -0.0111273  -0.0304862  131 GLU   B CB   
1740 C CG   . GLU   A 119 ? 0.298636 0.213766 0.472313  -0.039022   -0.0141895  -0.0479157  131 GLU   B CG   
1741 C CD   . GLU   A 119 ? 0.310156 0.215406 0.505324  -0.0475861  -0.0169186  -0.0592597  131 GLU   B CD   
1742 O OE1  . GLU   A 119 ? 0.349913 0.267062 0.54603   -0.0532423  -0.0189569  -0.0730202  131 GLU   B OE1  
1743 O OE2  . GLU   A 119 ? 0.332984 0.213895 0.547801  -0.0488284  -0.0185151  -0.0527236  131 GLU   B OE2  
1744 H H    . GLU   A 119 ? 0.249921 0.183844 0.374133  -0.0389898  -0.00638458 0.00359668  131 GLU   B H    
1745 H HA   . GLU   A 119 ? 0.241797 0.188216 0.369381  -0.0328608  -0.00901974 -0.0320797  131 GLU   B HA   
1746 H HB2  . GLU   A 119 ? 0.270736 0.209572 0.424947  -0.0465551  -0.0104359  -0.0363987  131 GLU   B HB2  
1747 H HB3  . GLU   A 119 ? 0.286373 0.203357 0.449891  -0.0457727  -0.0103335  -0.0186496  131 GLU   B HB3  
1748 H HG2  . GLU   A 119 ? 0.30311  0.206538 0.482574  -0.0340689  -0.0156994  -0.0420744  131 GLU   B HG2  
1749 H HG3  . GLU   A 119 ? 0.288868 0.213993 0.453954  -0.0349439  -0.0129994  -0.0587007  131 GLU   B HG3  
1750 N N    . ILE   A 120 ? 0.273617 0.205884 0.415563  -0.019844   -0.0143804  -0.0296746  132 ILE   B N    
1751 C CA   . ILE   A 120 ? 0.26871  0.197678 0.421057  -0.0108982  -0.019462   -0.0285404  132 ILE   B CA   
1752 C C    . ILE   A 120 ? 0.279525 0.208169 0.453853  -0.00635663 -0.0171762  -0.0459166  132 ILE   B C    
1753 O O    . ILE   A 120 ? 0.250259 0.189072 0.421044  -0.00847324 -0.00943782 -0.059801   132 ILE   B O    
1754 C CB   . ILE   A 120 ? 0.25649  0.200183 0.396888  -0.00834792 -0.0199135  -0.0265601  132 ILE   B CB   
1755 C CG1  . ILE   A 120 ? 0.25804  0.202223 0.373564  -0.0108493  -0.0213497  -0.0126506  132 ILE   B CG1  
1756 C CG2  . ILE   A 120 ? 0.257501 0.200951 0.416137  0.00082763  -0.0282812  -0.0272567  132 ILE   B CG2  
1757 C CD1  . ILE   A 120 ? 0.26477  0.220996 0.367341  -0.0101874  -0.0208808  -0.0143492  132 ILE   B CD1  
1758 H H    . ILE   A 120 ? 0.264668 0.205599 0.402862  -0.0213816  -0.0106743  -0.0392139  132 ILE   B H    
1759 H HA   . ILE   A 120 ? 0.282891 0.199965 0.437153  -0.00861306 -0.0244192  -0.0183054  132 ILE   B HA   
1760 H HB   . ILE   A 120 ? 0.247907 0.201063 0.386613  -0.0104345  -0.0137393  -0.0352358  132 ILE   B HB   
1761 H HG12 . ILE   A 120 ? 0.272476 0.207644 0.385991  -0.00733192 -0.0269103  -0.00316057 132 ILE   B HG12 
1762 H HG13 . ILE   A 120 ? 0.260258 0.204856 0.370052  -0.01597    -0.01698    -0.0118302  132 ILE   B HG13 
1763 H HG21 . ILE   A 120 ? 0.254399 0.204255 0.405989  0.00188124  -0.0315735  -0.0241361  132 ILE   B HG21 
1764 H HG22 . ILE   A 120 ? 0.271904 0.203037 0.434235  0.00463719  -0.0343805  -0.0204027  132 ILE   B HG22 
1765 H HG23 . ILE   A 120 ? 0.25632  0.205627 0.430745  0.00243835  -0.0245227  -0.0380646  132 ILE   B HG23 
1766 H HD11 . ILE   A 120 ? 0.251657 0.214815 0.356311  -0.0127347  -0.014777   -0.022499   132 ILE   B HD11 
1767 H HD12 . ILE   A 120 ? 0.259448 0.215689 0.345296  -0.0112978  -0.020588   -0.0074937  132 ILE   B HD12 
1768 H HD13 . ILE   A 120 ? 0.261636 0.218101 0.370961  -0.00573776 -0.0269895  -0.0144295  132 ILE   B HD13 
1769 N N    . GLU   A 121 ? 0.258354 0.173388 0.452694  0.00153863  -0.0240558  -0.0441895  133 GLU   B N    
1770 C CA   . GLU   A 121 ? 0.25682  0.17252  0.475758  0.00947472  -0.0223942  -0.0604187  133 GLU   B CA   
1771 C C    . GLU   A 121 ? 0.237117 0.164921 0.470907  0.0189694   -0.0277759  -0.0588454  133 GLU   B C    
1772 O O    . GLU   A 121 ? 0.308575 0.226155 0.545562  0.0258416   -0.0403072  -0.0459641  133 GLU   B O    
1773 C CB   . GLU   A 121 ? 0.265718 0.156352 0.502532  0.0130168   -0.0268389  -0.063419   133 GLU   B CB   
1774 C CG   . GLU   A 121 ? 0.298027 0.189515 0.561289  0.0241642   -0.0248653  -0.082156   133 GLU   B CG   
1775 C CD   . GLU   A 121 ? 0.328364 0.190746 0.611359  0.0294254   -0.0299201  -0.0876937  133 GLU   B CD   
1776 O OE1  . GLU   A 121 ? 0.339366 0.178923 0.616921  0.021364    -0.0336331  -0.0771295  133 GLU   B OE1  
1777 O OE2  . GLU   A 121 ? 0.322014 0.184017 0.626557  0.0402447   -0.0283296  -0.103745   133 GLU   B OE2  
1778 H H    . GLU   A 121 ? 0.273231 0.177867 0.464839  0.00304094  -0.0297247  -0.0320773  133 GLU   B H    
1779 H HA   . GLU   A 121 ? 0.247212 0.173051 0.462503  0.00692211  -0.0144442  -0.0719407  133 GLU   B HA   
1780 H HB2  . GLU   A 121 ? 0.277834 0.162429 0.508651  0.00560167  -0.0240978  -0.0662914  133 GLU   B HB2  
1781 H HB3  . GLU   A 121 ? 0.284033 0.162068 0.52142   0.0157673   -0.0339655  -0.0498146  133 GLU   B HB3  
1782 H HG2  . GLU   A 121 ? 0.2888   0.189034 0.562282  0.0313967   -0.0280776  -0.0797029  133 GLU   B HG2  
1783 H HG3  . GLU   A 121 ? 0.286187 0.190159 0.545205  0.0221099   -0.0163431  -0.0950131  133 GLU   B HG3  
1784 N N    . LEU   A 122 ? 0.260983 0.209808 0.506385  0.0204015   -0.0185996  -0.0725042  134 LEU   B N    
1785 C CA   . LEU   A 122 ? 0.25769  0.222683 0.5285    0.0282143   -0.0234598  -0.0743975  134 LEU   B CA   
1786 C C    . LEU   A 122 ? 0.273273 0.233856 0.578116  0.0413726   -0.0271129  -0.0844378  134 LEU   B C    
1787 O O    . LEU   A 122 ? 0.274113 0.239157 0.590046  0.0433703   -0.0144494  -0.10048    134 LEU   B O    
1788 C CB   . LEU   A 122 ? 0.236375 0.226516 0.511372  0.0226752   -0.00936837 -0.0828825  134 LEU   B CB   
1789 C CG   . LEU   A 122 ? 0.227919 0.23925  0.538596  0.0278919   -0.0136899  -0.0868834  134 LEU   B CG   
1790 C CD1  . LEU   A 122 ? 0.213512 0.219648 0.520856  0.0314876   -0.0360536  -0.0741853  134 LEU   B CD1  
1791 C CD2  . LEU   A 122 ? 0.213186 0.243583 0.523307  0.0181869   0.00369193  -0.0914124  134 LEU   B CD2  
1792 H H    . LEU   A 122 ? 0.248972 0.202862 0.487453  0.0165813   -0.00914363 -0.0806881  134 LEU   B H    
1793 H HA   . LEU   A 122 ? 0.256434 0.217868 0.520713  0.029281    -0.0341678  -0.0633713  134 LEU   B HA   
1794 H HB2  . LEU   A 122 ? 0.229156 0.219025 0.481703  0.015362    -0.00793604 -0.0761455  134 LEU   B HB2  
1795 H HB3  . LEU   A 122 ? 0.240194 0.23309  0.516708  0.0226133   0.00222776  -0.0929246  134 LEU   B HB3  
1796 H HG   . LEU   A 122 ? 0.232063 0.247282 0.567889  0.0358377   -0.0128425  -0.0953264  134 LEU   B HG   
1797 H HD11 . LEU   A 122 ? 0.230319 0.224942 0.542445  0.0397124   -0.0460363  -0.0710984  134 LEU   B HD11 
1798 H HD12 . LEU   A 122 ? 0.214119 0.236082 0.54216   0.0323113   -0.0392452  -0.0780978  134 LEU   B HD12 
1799 H HD13 . LEU   A 122 ? 0.214859 0.213132 0.494343  0.0253634   -0.0369725  -0.0657508  134 LEU   B HD13 
1800 H HD21 . LEU   A 122 ? 0.21761  0.247713 0.519176  0.0166949   0.0173052   -0.0972375  134 LEU   B HD21 
1801 H HD22 . LEU   A 122 ? 0.208388 0.234867 0.497492  0.0118118   0.00086313  -0.0833906  134 LEU   B HD22 
1802 H HD23 . LEU   A 122 ? 0.21225  0.258609 0.551784  0.0201906   0.00426869  -0.0965199  134 LEU   B HD23 
1803 N N    . LEU   A 123 ? 0.286606 0.236474 0.604597  0.0521575   -0.044577   -0.0753006  135 LEU   B N    
1804 C CA   . LEU   A 123 ? 0.324082 0.265232 0.674399  0.0671814   -0.0499193  -0.0837584  135 LEU   B CA   
1805 C C    . LEU   A 123 ? 0.318594 0.29031  0.709466  0.0767568   -0.0501569  -0.0963548  135 LEU   B C    
1806 O O    . LEU   A 123 ? 0.326672 0.305847 0.748736  0.086314    -0.0428846  -0.1124     135 LEU   B O    
1807 C CB   . LEU   A 123 ? 0.371316 0.28507  0.714521  0.0762202   -0.0693764  -0.0654041  135 LEU   B CB   
1808 C CG   . LEU   A 123 ? 0.379903 0.26487  0.687516  0.0655128   -0.0680432  -0.049188   135 LEU   B CG   
1809 C CD1  . LEU   A 123 ? 0.430977 0.291575 0.724918  0.0740646   -0.0842616  -0.0267911  135 LEU   B CD1  
1810 C CD2  . LEU   A 123 ? 0.434878 0.30136  0.75152   0.0629361   -0.0587477  -0.0608785  135 LEU   B CD2  
1811 H H    . LEU   A 123 ? 0.290739 0.237943 0.596262  0.0514801   -0.0535735  -0.0639238  135 LEU   B H    
1812 H HA   . LEU   A 123 ? 0.331346 0.264214 0.681892  0.0658843   -0.0410904  -0.0927773  135 LEU   B HA   
1813 H HB2  . LEU   A 123 ? 0.362173 0.285604 0.704608  0.0795532   -0.079359   -0.0588097  135 LEU   B HB2  
1814 H HB3  . LEU   A 123 ? 0.382113 0.287009 0.746519  0.0871951   -0.07358    -0.070377   135 LEU   B HB3  
1815 H HG   . LEU   A 123 ? 0.374468 0.269745 0.662954  0.0549237   -0.061889   -0.0469866  135 LEU   B HG   
1816 H HD11 . LEU   A 123 ? 0.418783 0.292229 0.709451  0.0786195   -0.0928267  -0.0228262  135 LEU   B HD11 
1817 H HD12 . LEU   A 123 ? 0.428089 0.274613 0.699678  0.0655795   -0.0806518  -0.0154995  135 LEU   B HD12 
1818 H HD13 . LEU   A 123 ? 0.443845 0.289186 0.754106  0.0842282   -0.089918   -0.0273534  135 LEU   B HD13 
1819 H HD21 . LEU   A 123 ? 0.405928 0.286955 0.721575  0.0566084   -0.0478854  -0.0735626  135 LEU   B HD21 
1820 H HD22 . LEU   A 123 ? 0.4357   0.295109 0.774337  0.0742065   -0.0631493  -0.0668284  135 LEU   B HD22 
1821 H HD23 . LEU   A 123 ? 0.431682 0.278228 0.733497  0.0567858   -0.0593695  -0.0503659  135 LEU   B HD23 
1822 N N    . ASP   A 124 ? 0.310066 0.3006   0.703853  0.0747325   -0.0594446  -0.0900984  136 ASP   B N    
1823 C CA   . ASP   A 124 ? 0.294333 0.316891 0.734751  0.082415    -0.0623992  -0.101974   136 ASP   B CA   
1824 C C    . ASP   A 124 ? 0.254898 0.294955 0.690713  0.0740801   -0.0711892  -0.0963255  136 ASP   B C    
1825 O O    . ASP   A 124 ? 0.245284 0.26872  0.640117  0.067636    -0.0790797  -0.0820765  136 ASP   B O    
1826 C CB   . ASP   A 124 ? 0.330272 0.3476   0.803243  0.103621    -0.0816351  -0.103519   136 ASP   B CB   
1827 C CG   . ASP   A 124 ? 0.352735 0.405589 0.886252  0.114082    -0.0788098  -0.122082   136 ASP   B CG   
1828 O OD1  . ASP   A 124 ? 0.310427 0.392114 0.8616    0.103245    -0.0583236  -0.133367   136 ASP   B OD1  
1829 O OD2  . ASP   A 124 ? 0.358068 0.409049 0.922443  0.134005    -0.0958123  -0.124737   136 ASP   B OD2  
1830 H H    . ASP   A 124 ? 0.302837 0.286764 0.671376  0.0685693   -0.0642329  -0.079361   136 ASP   B H    
1831 H HA   . ASP   A 124 ? 0.287036 0.323749 0.742001  0.0793765   -0.0454163  -0.113698   136 ASP   B HA   
1832 H HB2  . ASP   A 124 ? 0.346718 0.342161 0.811897  0.108248    -0.0799477  -0.102475   136 ASP   B HB2  
1833 H HB3  . ASP   A 124 ? 0.339836 0.350471 0.802395  0.107705    -0.0994394  -0.0927253  136 ASP   B HB3  
1834 N N    . PHE   A 125 ? 0.246122 0.320238 0.72614   0.0734503   -0.0679208  -0.108914   137 PHE   B N    
1835 C CA   . PHE   A 125 ? 0.248313 0.339352 0.736012  0.0674648   -0.0812379  -0.1075     137 PHE   B CA   
1836 C C    . PHE   A 125 ? 0.242508 0.370288 0.797667  0.0746342   -0.0873904  -0.122979   137 PHE   B C    
1837 O O    . PHE   A 125 ? 0.230252 0.3748   0.823185  0.0794401   -0.0710721  -0.134966   137 PHE   B O    
1838 C CB   . PHE   A 125 ? 0.220675 0.312101 0.680191  0.0474472   -0.0614867  -0.10465    137 PHE   B CB   
1839 C CG   . PHE   A 125 ? 0.235533 0.344015 0.712749  0.0378534   -0.0298091  -0.114618   137 PHE   B CG   
1840 C CD1  . PHE   A 125 ? 0.257656 0.351134 0.706774  0.0366133   -0.0104364  -0.114652   137 PHE   B CD1  
1841 C CD2  . PHE   A 125 ? 0.279938 0.417992 0.798417  0.029402    -0.0188591  -0.123392   137 PHE   B CD2  
1842 C CE1  . PHE   A 125 ? 0.263932 0.370878 0.719568  0.0301029   0.018416    -0.122857   137 PHE   B CE1  
1843 C CE2  . PHE   A 125 ? 0.314646 0.466051 0.843668  0.0214061   0.0135948   -0.129544   137 PHE   B CE2  
1844 C CZ   . PHE   A 125 ? 0.274551 0.409993 0.768581  0.0229021   0.0318858   -0.128945   137 PHE   B CZ   
1845 H H    . PHE   A 125 ? 0.247807 0.33514  0.755356  0.0765288   -0.0566764  -0.119444   137 PHE   B H    
1846 H HA   . PHE   A 125 ? 0.253697 0.329798 0.719561  0.0729289   -0.0999124  -0.098086   137 PHE   B HA   
1847 H HB2  . PHE   A 125 ? 0.225677 0.325439 0.690057  0.0432262   -0.0709576  -0.104461   137 PHE   B HB2  
1848 H HB3  . PHE   A 125 ? 0.230362 0.300154 0.650199  0.0449852   -0.0609841  -0.0951141  137 PHE   B HB3  
1849 H HD1  . PHE   A 125 ? 0.26089  0.334206 0.685304  0.0405474   -0.017253   -0.109124   137 PHE   B HD1  
1850 H HD2  . PHE   A 125 ? 0.272427 0.422158 0.813844  0.0295343   -0.0332585  -0.125591   137 PHE   B HD2  
1851 H HE1  . PHE   A 125 ? 0.271282 0.367642 0.705369  0.030851    0.0291528   -0.124403   137 PHE   B HE1  
1852 H HE2  . PHE   A 125 ? 0.290373 0.461796 0.850203  0.0147586   0.0229379   -0.134194   137 PHE   B HE2  
1853 H HZ   . PHE   A 125 ? 0.28343  0.427061 0.779408  0.0187895   0.0537392   -0.132806   137 PHE   B HZ   
1854 N N    . LYS   A 126 ? 0.240222 0.381117 0.811839  0.0772112   -0.112503   -0.124111   138 LYS   B N    
1855 C CA   . LYS   A 126 ? 0.256175 0.434571 0.897781  0.0853183   -0.124473   -0.139784   138 LYS   B CA   
1856 C C    . LYS   A 126 ? 0.243197 0.439886 0.899011  0.0729306   -0.137054   -0.144731   138 LYS   B C    
1857 O O    . LYS   A 126 ? 0.242216 0.417377 0.850297  0.0699636   -0.152786   -0.135136   138 LYS   B O    
1858 C CB   . LYS   A 126 ? 0.252993 0.427496 0.911587  0.11132     -0.153646   -0.139746   138 LYS   B CB   
1859 H H    . LYS   A 126 ? 0.248019 0.375063 0.787172  0.0742532   -0.123103   -0.115902   138 LYS   B H    
1860 H HA   . LYS   A 126 ? 0.238428 0.434287 0.910672  0.0815307   -0.103328   -0.148463   138 LYS   B HA   
1863 N N    . GLY   A 127 ? 0.257616 0.495329 0.984514  0.0676971   -0.133187   -0.161344   139 GLY   B N    
1864 C CA   . GLY   A 127 ? 0.291514 0.547053 1.04165   0.0538768   -0.144971   -0.169066   139 GLY   B CA   
1865 C C    . GLY   A 127 ? 0.345193 0.604514 1.10167   0.0702904   -0.191509   -0.173859   139 GLY   B C    
1866 O O    . GLY   A 127 ? 0.391038 0.658595 1.17071   0.0919512   -0.210375   -0.176976   139 GLY   B O    
1867 H H    . GLY   A 127 ? 0.25721  0.512159 1.02069   0.0726473   -0.122622   -0.168637   139 GLY   B H    
1868 H HA2  . GLY   A 127 ? 0.284414 0.521183 0.994731  0.0418146   -0.136084   -0.161374   139 GLY   B HA2  
1869 H HA3  . GLY   A 127 ? 0.280816 0.564634 1.0829    0.0458876   -0.131188   -0.179479   139 GLY   B HA3  
1870 N N    . GLU   A 128 ? 0.418541 0.666024 1.14415   0.0623428   -0.209777   -0.173072   140 GLU   B N    
1871 C CA   . GLU   A 128 ? 0.496697 0.746601 1.21957   0.0771573   -0.255049   -0.179553   140 GLU   B CA   
1872 C C    . GLU   A 128 ? 0.541385 0.837241 1.35245   0.0883338   -0.277266   -0.200022   140 GLU   B C    
1873 O O    . GLU   A 128 ? 0.591707 0.903131 1.42387   0.0914879   -0.311853   -0.213914   140 GLU   B O    
1874 C CB   . GLU   A 128 ? 0.503541 0.743929 1.20079   0.0616335   -0.264465   -0.183849   140 GLU   B CB   
1875 O OXT  . GLU   A 128 ? 0.599128 0.914763 1.45604   0.0957459   -0.261893   -0.203117   140 GLU   B OXT  
1876 H H    . GLU   A 128 ? 0.401995 0.638437 1.10501   0.0477881   -0.193253   -0.168779   140 GLU   B H    
1877 H HA   . GLU   A 128 ? 0.507467 0.733767 1.18542   0.0918879   -0.266487   -0.167845   140 GLU   B HA   
1880 N N    . GLY   B 1   ? 0.583397 0.851468 0.458107  0.31272     0.0709182   -0.166673   13  GLY   A N    
1881 C CA   . GLY   B 1   ? 0.587475 0.796271 0.47833   0.300909    0.0460576   -0.168851   13  GLY   A CA   
1882 C C    . GLY   B 1   ? 0.556204 0.739486 0.417577  0.285469    0.0412376   -0.157157   13  GLY   A C    
1883 O O    . GLY   B 1   ? 0.587881 0.794254 0.41726   0.281714    0.0558874   -0.143038   13  GLY   A O    
1884 H H1   . GLY   B 1   ? 0.591528 0.876846 0.486127  0.32254     0.0738107   -0.17447    13  GLY   A H1   
1885 H H2   . GLY   B 1   ? 0.575567 0.85327  0.444273  0.297289    0.0828817   -0.142891   13  GLY   A H2   
1886 H H3   . GLY   B 1   ? 0.611302 0.891567 0.462912  0.325949    0.0717436   -0.181029   13  GLY   A H3   
1887 H HA2  . GLY   B 1   ? 0.593744 0.790511 0.494387  0.316688    0.0325004   -0.19351    13  GLY   A HA2  
1888 H HA3  . GLY   B 1   ? 0.557821 0.756287 0.471057  0.287603    0.0452967   -0.15338    13  GLY   A HA3  
1889 N N    . ALA   B 2   ? 0.575496 0.711098 0.450438  0.276763    0.0197118   -0.161847   14  ALA   A N    
1890 C CA   . ALA   B 2   ? 0.544403 0.654724 0.399683  0.262332    0.0127573   -0.152374   14  ALA   A CA   
1891 C C    . ALA   B 2   ? 0.522462 0.642016 0.365951  0.239816    0.0304728   -0.116867   14  ALA   A C    
1892 O O    . ALA   B 2   ? 0.540221 0.666137 0.3546    0.237363    0.0356017   -0.108396   14  ALA   A O    
1893 C CB   . ALA   B 2   ? 0.55889  0.621374 0.439813  0.25243     -0.00993156 -0.157118   14  ALA   A CB   
1894 H H    . ALA   B 2   ? 0.562192 0.681558 0.460952  0.279917    0.0090259   -0.170283   14  ALA   A H    
1895 H HA   . ALA   B 2   ? 0.57558  0.69684  0.408678  0.275082    0.0111455   -0.166948   14  ALA   A HA   
1896 H HB1  . ALA   B 2   ? 0.571499 0.625606 0.456751  0.26623     -0.0227181  -0.180496   14  ALA   A HB1  
1897 H HB2  . ALA   B 2   ? 0.537307 0.592045 0.440354  0.245222    -0.0103376  -0.147758   14  ALA   A HB2  
1898 H HB3  . ALA   B 2   ? 0.541153 0.589811 0.413538  0.239495    -0.0118396  -0.145959   14  ALA   A HB3  
1899 N N    . PRO   B 3   ? 0.484498 0.603629 0.350368  0.222985    0.038267    -0.0956014  15  PRO   A N    
1900 C CA   . PRO   B 3   ? 0.477012 0.601462 0.334797  0.20207     0.052581    -0.0661053  15  PRO   A CA   
1901 C C    . PRO   B 3   ? 0.512579 0.67761  0.347075  0.207519    0.0731848   -0.055188   15  PRO   A C    
1902 O O    . PRO   B 3   ? 0.488583 0.65004  0.303762  0.197349    0.0788932   -0.0372853  15  PRO   A O    
1903 C CB   . PRO   B 3   ? 0.465989 0.585139 0.354543  0.18699     0.0531784   -0.0533493  15  PRO   A CB   
1904 C CG   . PRO   B 3   ? 0.497837 0.593552 0.408549  0.195679    0.0338753   -0.0714404  15  PRO   A CG   
1905 C CD   . PRO   B 3   ? 0.506714 0.615769 0.407794  0.221688    0.0304932   -0.0980514  15  PRO   A CD   
1906 H HA   . PRO   B 3   ? 0.476135 0.578619 0.326354  0.193849    0.0460085   -0.0620015  15  PRO   A HA   
1907 H HB2  . PRO   B 3   ? 0.469752 0.615575 0.36472   0.188723    0.0644904   -0.0482492  15  PRO   A HB2  
1908 H HB3  . PRO   B 3   ? 0.454528 0.559007 0.343559  0.170749    0.0533963   -0.0393152  15  PRO   A HB3  
1909 H HG2  . PRO   B 3   ? 0.477772 0.579484 0.407871  0.19332     0.0342773   -0.0671281  15  PRO   A HG2  
1910 H HG3  . PRO   B 3   ? 0.478766 0.547489 0.390268  0.187426    0.0236698   -0.0700119  15  PRO   A HG3  
1911 H HD2  . PRO   B 3   ? 0.510045 0.644722 0.418282  0.231838    0.0381165   -0.102531   15  PRO   A HD2  
1912 H HD3  . PRO   B 3   ? 0.509311 0.595996 0.41984   0.227355    0.0154698   -0.111793   15  PRO   A HD3  
1913 N N    . ALA   B 4   ? 0.505978 0.710748 0.343248  0.224245    0.0843198   -0.064892   16  ALA   A N    
1914 C CA   . ALA   B 4   ? 0.507073 0.757599 0.320927  0.230998    0.105699    -0.0537156  16  ALA   A CA   
1915 C C    . ALA   B 4   ? 0.568973 0.819518 0.341638  0.241499    0.102368    -0.0586287  16  ALA   A C    
1916 O O    . ALA   B 4   ? 0.641543 0.911489 0.391306  0.235716    0.116547    -0.0347673  16  ALA   A O    
1917 C CB   . ALA   B 4   ? 0.539396 0.83583  0.362025  0.252641    0.116389    -0.0710229  16  ALA   A CB   
1918 H H    . ALA   B 4   ? 0.504515 0.709334 0.359576  0.231826    0.0788119   -0.0778526  16  ALA   A H    
1919 H HA   . ALA   B 4   ? 0.510249 0.765013 0.330415  0.214381    0.115973    -0.0300948  16  ALA   A HA   
1920 H HB1  . ALA   B 4   ? 0.518653 0.817779 0.3688    0.246281    0.118111    -0.0666881  16  ALA   A HB1  
1921 H HB2  . ALA   B 4   ? 0.548257 0.838937 0.366491  0.269739    0.105393    -0.0962358  16  ALA   A HB2  
1922 H HB3  . ALA   B 4   ? 0.550709 0.881098 0.357164  0.25625     0.132224    -0.0615069  16  ALA   A HB3  
1923 N N    . THR   B 5   ? 0.573681 0.804345 0.337891  0.257593    0.0826128   -0.0891566  17  THR   A N    
1924 C CA   . THR   B 5   ? 0.604162 0.839371 0.329429  0.269983    0.0765272   -0.0981369  17  THR   A CA   
1925 C C    . THR   B 5   ? 0.559666 0.766013 0.276501  0.249091    0.0729546   -0.0713373  17  THR   A C    
1926 O O    . THR   B 5   ? 0.572869 0.79445  0.257677  0.251353    0.0786839   -0.0567686  17  THR   A O    
1927 C CB   . THR   B 5   ? 0.638806 0.855837 0.363589  0.289733    0.052779    -0.139297   17  THR   A CB   
1928 O OG1  . THR   B 5   ? 0.677084 0.926446 0.407595  0.312353    0.0585175   -0.164307   17  THR   A OG1  
1929 C CG2  . THR   B 5   ? 0.675216 0.895891 0.361067  0.301857    0.0419411   -0.151484   17  THR   A CG2  
1930 H H    . THR   B 5   ? 0.568281 0.782598 0.352301  0.260787    0.0718545   -0.104325   17  THR   A H    
1931 H HA   . THR   B 5   ? 0.621994 0.893854 0.327351  0.279514    0.0904414   -0.0941956  17  THR   A HA   
1932 H HB   . THR   B 5   ? 0.620848 0.803769 0.36942   0.280165    0.0399428   -0.142239   17  THR   A HB   
1934 H HG21 . THR   B 5   ? 0.691317 0.910439 0.376792  0.317726    0.0292834   -0.181298   17  THR   A HG21 
1935 H HG22 . THR   B 5   ? 0.690756 0.943596 0.350639  0.307073    0.0558251   -0.140048   17  THR   A HG22 
1936 H HG23 . THR   B 5   ? 0.659664 0.853342 0.347983  0.288841    0.0331928   -0.141003   17  THR   A HG23 
1937 N N    . VAL   B 6   ? 0.496914 0.663499 0.242367  0.230078    0.0632889   -0.0646202  18  VAL   A N    
1938 C CA   . VAL   B 6   ? 0.487834 0.627076 0.22953   0.212544    0.0590243   -0.0439564  18  VAL   A CA   
1939 C C    . VAL   B 6   ? 0.523259 0.680254 0.259678  0.199217    0.0796101   -0.00929132 18  VAL   A C    
1940 O O    . VAL   B 6   ? 0.575249 0.728122 0.292606  0.195605    0.0803581   0.00809926  18  VAL   A O    
1941 C CB   . VAL   B 6   ? 0.434637 0.532199 0.2077    0.195235    0.0459406   -0.0447883  18  VAL   A CB   
1942 C CG1  . VAL   B 6   ? 0.423352 0.497674 0.191606  0.18132     0.0418181   -0.0279612  18  VAL   A CG1  
1943 C CG2  . VAL   B 6   ? 0.463536 0.542453 0.248616  0.206103    0.0256524   -0.0751916  18  VAL   A CG2  
1944 H H    . VAL   B 6   ? 0.492191 0.649566 0.25994   0.228546    0.0592524   -0.0728153  18  VAL   A H    
1945 H HA   . VAL   B 6   ? 0.506296 0.644383 0.228327  0.22114     0.0509269   -0.0514731  18  VAL   A HA   
1946 H HB   . VAL   B 6   ? 0.427127 0.526989 0.217623  0.186234    0.0534568   -0.0360037  18  VAL   A HB   
1947 H HG11 . VAL   B 6   ? 0.442382 0.521078 0.190875  0.190545    0.0368573   -0.0321892  18  VAL   A HG11 
1948 H HG12 . VAL   B 6   ? 0.419373 0.498244 0.189124  0.171364    0.053099    -0.00845221 18  VAL   A HG12 
1949 H HG13 . VAL   B 6   ? 0.408784 0.460422 0.193596  0.173568    0.0324442   -0.0326583  18  VAL   A HG13 
1950 H HG21 . VAL   B 6   ? 0.438567 0.49305  0.240293  0.194514    0.0178486   -0.072478   18  VAL   A HG21 
1951 H HG22 . VAL   B 6   ? 0.458714 0.547771 0.253431  0.213619    0.0274685   -0.0850183  18  VAL   A HG22 
1952 H HG23 . VAL   B 6   ? 0.474469 0.556446 0.242473  0.217161    0.0181803   -0.0873488  18  VAL   A HG23 
1953 N N    . THR   B 7   ? 0.533493 0.708881 0.290183  0.191106    0.0948177   0.00217838  19  THR   A N    
1954 C CA   . THR   B 7   ? 0.587623 0.783281 0.342619  0.178408    0.114422    0.0351268   19  THR   A CA   
1955 C C    . THR   B 7   ? 0.664373 0.891377 0.380407  0.191784    0.12402     0.046641    19  THR   A C    
1956 O O    . THR   B 7   ? 0.657235 0.877278 0.362866  0.181701    0.128326    0.0743803   19  THR   A O    
1957 C CB   . THR   B 7   ? 0.610734 0.83515  0.39262   0.17235     0.130004    0.041603    19  THR   A CB   
1958 O OG1  . THR   B 7   ? 0.521385 0.7167   0.336144  0.157484    0.120367    0.0370147   19  THR   A OG1  
1959 C CG2  . THR   B 7   ? 0.611412 0.861743 0.395149  0.158888    0.151034    0.076359    19  THR   A CG2  
1960 H H    . THR   B 7   ? 0.527335 0.702699 0.301335  0.192939    0.0924003   -0.00960203 19  THR   A H    
1961 H HA   . THR   B 7   ? 0.577786 0.748655 0.341594  0.163907    0.111069    0.0477879   19  THR   A HA   
1962 H HB   . THR   B 7   ? 0.600593 0.848273 0.377976  0.187951    0.13216     0.0255869   19  THR   A HB   
1964 H HG21 . THR   B 7   ? 0.601224 0.859564 0.410751  0.148862    0.157138    0.0815041   19  THR   A HG21 
1965 H HG22 . THR   B 7   ? 0.615178 0.843571 0.395376  0.148465    0.148128    0.0911786   19  THR   A HG22 
1966 H HG23 . THR   B 7   ? 0.638186 0.920007 0.402449  0.170693    0.16095     0.0789685   19  THR   A HG23 
1967 N N    . GLU   B 8   ? 0.624497 0.887832 0.318979  0.215061    0.127601    0.0266097   20  GLU   A N    
1968 C CA   . GLU   B 8   ? 0.674469 0.980684 0.330245  0.227542    0.141781    0.041334    20  GLU   A CA   
1969 C C    . GLU   B 8   ? 0.686027 0.978543 0.3045    0.240336    0.124318    0.0323931   20  GLU   A C    
1970 O O    . GLU   B 8   ? 0.786085 1.10212  0.371568  0.244968    0.13221     0.054594    20  GLU   A O    
1971 C CB   . GLU   B 8   ? 0.64156  1.00529  0.293243  0.244066    0.160563    0.0310601   20  GLU   A CB   
1972 H H    . GLU   B 8   ? 0.634303 0.896814 0.337708  0.223959    0.121068    0.00355811  20  GLU   A H    
1973 H HA   . GLU   B 8   ? 0.660853 0.968857 0.3216    0.212948    0.152622    0.0711291   20  GLU   A HA   
1976 N N    . GLN   B 9   ? 0.674191 0.931667 0.298418  0.246039    0.100105    0.0017065   21  GLN   A N    
1977 C CA   . GLN   B 9   ? 0.718156 0.969108 0.310855  0.260716    0.081163    -0.0138604  21  GLN   A CA   
1978 C C    . GLN   B 9   ? 0.65144  0.851788 0.26159   0.246344    0.061517    -0.0110932  21  GLN   A C    
1979 O O    . GLN   B 9   ? 0.67165  0.865421 0.261287  0.256051    0.0442214   -0.0214662  21  GLN   A O    
1980 C CB   . GLN   B 9   ? 0.707327 0.966565 0.293082  0.284018    0.0662526   -0.060599   21  GLN   A CB   
1981 H H    . GLN   B 9   ? 0.653892 0.89228  0.304039  0.240343    0.0947613   -0.00968172 21  GLN   A H    
1982 H HA   . GLN   B 9   ? 0.728667 1.0039   0.293153  0.266141    0.0889448   0.00266861  21  GLN   A HA   
1985 N N    . GLY   B 10  ? 0.615449 0.784247 0.263777  0.224916    0.0632721   -0.00054623 22  GLY   A N    
1986 C CA   . GLY   B 10  ? 0.574696 0.700029 0.244949  0.212557    0.0461246   -0.00437728 22  GLY   A CA   
1987 C C    . GLY   B 10  ? 0.574842 0.689711 0.233698  0.205516    0.0453634   0.0232202   22  GLY   A C    
1988 O O    . GLY   B 10  ? 0.572311 0.701154 0.223455  0.199429    0.0617223   0.0535317   22  GLY   A O    
1989 H H    . GLY   B 10  ? 0.602364 0.779689 0.26371   0.217744    0.0760609   0.00946116  22  GLY   A H    
1990 H HA2  . GLY   B 10  ? 0.580147 0.698881 0.24849   0.221683    0.0315096   -0.0275126  22  GLY   A HA2  
1991 H HA3  . GLY   B 10  ? 0.551248 0.661722 0.247364  0.200055    0.0491611   -0.00196933 22  GLY   A HA3  
1992 N N    . GLU   B 11  ? 0.553696 0.646104 0.213856  0.207315    0.0258377   0.0129136   23  GLU   A N    
1993 C CA   . GLU   B 11  ? 0.572666 0.650185 0.230285  0.201362    0.0219939   0.0366487   23  GLU   A CA   
1994 C C    . GLU   B 11  ? 0.470135 0.517698 0.163408  0.179397    0.0283699   0.0525197   23  GLU   A C    
1995 O O    . GLU   B 11  ? 0.417931 0.447278 0.13822   0.170377    0.0237914   0.0358882   23  GLU   A O    
1996 C CB   . GLU   B 11  ? 0.675934 0.745432 0.327362  0.212358    -0.00200438 0.0153161   23  GLU   A CB   
1997 C CG   . GLU   B 11  ? 0.84106  0.898919 0.489495  0.211432    -0.0101231  0.0358366   23  GLU   A CG   
1998 C CD   . GLU   B 11  ? 0.980915 1.02823  0.637473  0.217823    -0.0347733  0.0139442   23  GLU   A CD   
1999 O OE1  . GLU   B 11  ? 1.02039  1.06673  0.686465  0.221414    -0.0468661  -0.0174793  23  GLU   A OE1  
2000 O OE2  . GLU   B 11  ? 1.04816  1.08683  0.70695   0.218199    -0.0423676  0.0296616   23  GLU   A OE2  
2001 H H    . GLU   B 11  ? 0.558533 0.644849 0.223945  0.21253     0.0140667   -0.00954879 23  GLU   A H    
2002 H HA   . GLU   B 11  ? 0.591901 0.687469 0.228095  0.206116    0.0301105   0.0550462   23  GLU   A HA   
2003 H HB2  . GLU   B 11  ? 0.701202 0.791031 0.329612  0.226656    -0.00645737 0.00243698  23  GLU   A HB2  
2004 H HB3  . GLU   B 11  ? 0.657445 0.710483 0.331658  0.20668     -0.00922446 -0.00104849 23  GLU   A HB3  
2005 H HG2  . GLU   B 11  ? 0.806276 0.846799 0.475024  0.198498    -0.00314701 0.0504354   23  GLU   A HG2  
2006 H HG3  . GLU   B 11  ? 0.853156 0.928841 0.475576  0.21957     -0.00623817 0.0510622   23  GLU   A HG3  
2007 N N    . ASP   B 12  ? 0.456454 0.499044 0.150183  0.171284    0.0378379   0.0841552   24  ASP   A N    
2008 C CA   . ASP   B 12  ? 0.441083 0.454577 0.168064  0.152486    0.0416168   0.0960056   24  ASP   A CA   
2009 C C    . ASP   B 12  ? 0.42528  0.414262 0.164634  0.153454    0.0248549   0.0878769   24  ASP   A C    
2010 O O    . ASP   B 12  ? 0.472577 0.460678 0.198468  0.162515    0.0168722   0.100865    24  ASP   A O    
2011 C CB   . ASP   B 12  ? 0.473356 0.48834  0.2014    0.1438      0.0560262   0.131264    24  ASP   A CB   
2012 C CG   . ASP   B 12  ? 0.46397  0.449555 0.228663  0.124334    0.0600027   0.140414    24  ASP   A CG   
2013 O OD1  . ASP   B 12  ? 0.428332 0.39254  0.2139    0.119262    0.0508772   0.120255    24  ASP   A OD1  
2014 O OD2  . ASP   B 12  ? 0.475015 0.458672 0.247756  0.114826    0.0708282   0.16828     24  ASP   A OD2  
2015 H H    . ASP   B 12  ? 0.489697 0.54776  0.162518  0.178103    0.0415676   0.0984422   24  ASP   A H    
2016 H HA   . ASP   B 12  ? 0.419133 0.429308 0.162196  0.14487     0.0452455   0.085487    24  ASP   A HA   
2017 H HB2  . ASP   B 12  ? 0.478897 0.51488  0.198865  0.144032    0.0671141   0.136508    24  ASP   A HB2  
2018 H HB3  . ASP   B 12  ? 0.49564  0.512301 0.208338  0.151256    0.0517369   0.144357    24  ASP   A HB3  
2019 N N    . ILE   B 13  ? 0.427329 0.400276 0.191912  0.145481    0.0189317   0.0673021   25  ILE   A N    
2020 C CA   . ILE   B 13  ? 0.437655 0.394887 0.21635   0.147068    0.00437663  0.0577224   25  ILE   A CA   
2021 C C    . ILE   B 13  ? 0.459491 0.393896 0.266918  0.133405    0.00941007  0.066344    25  ILE   A C    
2022 O O    . ILE   B 13  ? 0.495177 0.418715 0.321238  0.132493    0.00074974  0.0559598   25  ILE   A O    
2023 C CB   . ILE   B 13  ? 0.445005 0.403569 0.23322   0.148583    -0.00709005 0.0293476   25  ILE   A CB   
2024 C CG1  . ILE   B 13  ? 0.410303 0.36313  0.218287  0.135062    0.00083697  0.0205661   25  ILE   A CG1  
2025 C CG2  . ILE   B 13  ? 0.485763 0.463894 0.247925  0.164888    -0.0166754  0.0158173   25  ILE   A CG2  
2026 C CD1  . ILE   B 13  ? 0.398131 0.346455 0.223601  0.13291     -0.0107401  -0.00070671 25  ILE   A CD1  
2027 H H    . ILE   B 13  ? 0.406887 0.380706 0.180568  0.13911     0.0242099   0.0603533   25  ILE   A H    
2028 H HA   . ILE   B 13  ? 0.464237 0.42616  0.228963  0.156785    -0.0022106  0.0641549   25  ILE   A HA   
2029 H HB   . ILE   B 13  ? 0.437789 0.388413 0.238572  0.148203    -0.0152772  0.0251041   25  ILE   A HB   
2030 H HG12 . ILE   B 13  ? 0.416368 0.379139 0.214254  0.136789    0.00735118  0.0218303   25  ILE   A HG12 
2031 H HG13 . ILE   B 13  ? 0.403522 0.346769 0.224357  0.125607    0.00730789  0.0287204   25  ILE   A HG13 
2032 H HG21 . ILE   B 13  ? 0.471677 0.446982 0.244152  0.16559     -0.0267915  -0.00143555 25  ILE   A HG21 
2033 H HG22 . ILE   B 13  ? 0.483141 0.471465 0.234979  0.166211    -0.00843278 0.0164029   25  ILE   A HG22 
2034 H HG23 . ILE   B 13  ? 0.499922 0.484386 0.246349  0.173701    -0.0214489  0.023348    25  ILE   A HG23 
2035 H HD11 . ILE   B 13  ? 0.395179 0.338363 0.230237  0.132677    -0.0175753  -0.00263551 25  ILE   A HD11 
2036 H HD12 . ILE   B 13  ? 0.380935 0.32476  0.219231  0.123451    -0.00538041 -0.00185301 25  ILE   A HD12 
2037 H HD13 . ILE   B 13  ? 0.406264 0.362301 0.222034  0.141256    -0.0171243  -0.0110632  25  ILE   A HD13 
2038 N N    . THR   B 14  ? 0.427147 0.355702 0.241547  0.122693    0.0229378   0.0830751   26  THR   A N    
2039 C CA   . THR   B 14  ? 0.424445 0.330517 0.266007  0.111506    0.0257805   0.0881025   26  THR   A CA   
2040 C C    . THR   B 14  ? 0.440397 0.333053 0.283316  0.119287    0.0194632   0.106399    26  THR   A C    
2041 O O    . THR   B 14  ? 0.474387 0.376229 0.294997  0.128354    0.0189715   0.126585    26  THR   A O    
2042 C CB   . THR   B 14  ? 0.397245 0.300933 0.250391  0.0964358   0.0396584   0.0977229   26  THR   A CB   
2043 O OG1  . THR   B 14  ? 0.417388 0.329429 0.256622  0.0983424   0.0471116   0.123843    26  THR   A OG1  
2044 C CG2  . THR   B 14  ? 0.365365 0.281578 0.22067   0.0895946   0.0441473   0.0814405   26  THR   A CG2  
2045 H H    . THR   B 14  ? 0.441554 0.381468 0.244947  0.122493    0.0302975   0.0903521   26  THR   A H    
2046 H HA   . THR   B 14  ? 0.401684 0.303146 0.255931  0.108927    0.0217135   0.0726746   26  THR   A HA   
2047 H HB   . THR   B 14  ? 0.397405 0.284989 0.269486  0.0898093   0.0395233   0.0972821   26  THR   A HB   
2049 H HG21 . THR   B 14  ? 0.367085 0.28447  0.230164  0.0806931   0.0519451   0.0881177   26  THR   A HG21 
2050 H HG22 . THR   B 14  ? 0.369244 0.29971  0.208697  0.0972131   0.0430065   0.0780155   26  THR   A HG22 
2051 H HG23 . THR   B 14  ? 0.352051 0.261937 0.218031  0.0867565   0.039874    0.0677208   26  THR   A HG23 
2052 N N    . SER   B 15  ? 0.486871 0.359303 0.356787  0.116427    0.0148012   0.0994663   27  SER   A N    
2053 C CA   . SER   B 15  ? 0.555529 0.409549 0.436119  0.123236    0.00843532  0.116562    27  SER   A CA   
2054 C C    . SER   B 15  ? 0.544558 0.385809 0.428912  0.115268    0.0174091   0.144635    27  SER   A C    
2055 O O    . SER   B 15  ? 0.594392 0.428207 0.473357  0.122891    0.0131363   0.170551    27  SER   A O    
2056 C CB   . SER   B 15  ? 0.552247 0.388488 0.465928  0.121827    0.00381048  0.0994851   27  SER   A CB   
2057 O OG   . SER   B 15  ? 0.597691 0.447984 0.514508  0.125742    -0.00218986 0.0753148   27  SER   A OG   
2058 H H    . SER   B 15  ? 0.461177 0.332069 0.343495  0.110917    0.0155109   0.0839343   27  SER   A H    
2059 H HA   . SER   B 15  ? 0.554022 0.416276 0.41989   0.134751    0.0004153   0.121411    27  SER   A HA   
2060 H HB2  . SER   B 15  ? 0.558266 0.385963 0.485149  0.111284    0.0108215   0.0953431   27  SER   A HB2  
2061 H HB3  . SER   B 15  ? 0.585403 0.409554 0.507316  0.128733    -0.00205716 0.10986     27  SER   A HB3  
2063 N N    . LYS   B 16  ? 0.513976 0.351346 0.412258  0.0990619   0.0285577   0.140911    28  LYS   A N    
2064 C CA   . LYS   B 16  ? 0.586791 0.412979 0.496387  0.0877123   0.0372861   0.166777    28  LYS   A CA   
2065 C C    . LYS   B 16  ? 0.592561 0.444341 0.473732  0.0888194   0.0466351   0.191712    28  LYS   A C    
2066 O O    . LYS   B 16  ? 0.631129 0.477137 0.521034  0.0803287   0.0539046   0.219833    28  LYS   A O    
2067 C CB   . LYS   B 16  ? 0.579528 0.398008 0.514873  0.0696062   0.0445555   0.152333    28  LYS   A CB   
2068 C CG   . LYS   B 16  ? 0.645906 0.438165 0.612177  0.0674583   0.0373847   0.13146     28  LYS   A CG   
2069 C CD   . LYS   B 16  ? 0.718587 0.515756 0.697473  0.0545333   0.0416769   0.105266    28  LYS   A CD   
2070 C CE   . LYS   B 16  ? 0.847462 0.622816 0.858523  0.0402853   0.0427794   0.104042    28  LYS   A CE   
2071 N NZ   . LYS   B 16  ? 0.860593 0.616317 0.892882  0.0456118   0.0347776   0.0802873   28  LYS   A NZ   
2072 H H    . LYS   B 16  ? 0.506479 0.348946 0.408883  0.094374    0.0302591   0.122575    28  LYS   A H    
2073 H HA   . LYS   B 16  ? 0.597264 0.404361 0.51938   0.0908323   0.0319658   0.178491    28  LYS   A HA   
2074 H HB2  . LYS   B 16  ? 0.57047  0.406193 0.495665  0.067851    0.0477935   0.138607    28  LYS   A HB2  
2075 H HB3  . LYS   B 16  ? 0.606187 0.421945 0.549022  0.0608334   0.0507445   0.169801    28  LYS   A HB3  
2076 H HG2  . LYS   B 16  ? 0.672736 0.444836 0.656554  0.0647976   0.035781    0.144521    28  LYS   A HG2  
2077 H HG3  . LYS   B 16  ? 0.642125 0.435077 0.603718  0.0782593   0.030646    0.122133    28  LYS   A HG3  
2078 H HD2  . LYS   B 16  ? 0.705022 0.504032 0.684428  0.0596578   0.0376439   0.0864326   28  LYS   A HD2  
2079 H HD3  . LYS   B 16  ? 0.701217 0.517329 0.666014  0.0509245   0.0471348   0.106042    28  LYS   A HD3  
2080 H HE2  . LYS   B 16  ? 0.807057 0.593425 0.819251  0.0304667   0.0472898   0.096296    28  LYS   A HE2  
2081 H HE3  . LYS   B 16  ? 0.84102  0.60512  0.85973   0.037635    0.0436726   0.125609    28  LYS   A HE3  
2082 H HZ1  . LYS   B 16  ? 0.835479 0.603665 0.862057  0.0458932   0.0353671   0.0613449   28  LYS   A HZ1  
2083 H HZ2  . LYS   B 16  ? 0.864988 0.61345  0.89631   0.0561374   0.0300436   0.0858532   28  LYS   A HZ2  
2084 H HZ3  . LYS   B 16  ? 0.87064  0.609953 0.924174  0.0384292   0.0336787   0.0784686   28  LYS   A HZ3  
2085 N N    . LYS   B 17  ? 0.57238  0.453131 0.421909  0.0993189   0.046521    0.181646    29  LYS   A N    
2086 C CA   . LYS   B 17  ? 0.59164  0.50318  0.41302   0.102279    0.0570356   0.198954    29  LYS   A CA   
2087 C C    . LYS   B 17  ? 0.594911 0.513561 0.433798  0.0843784   0.0728755   0.208261    29  LYS   A C    
2088 O O    . LYS   B 17  ? 0.599756 0.529263 0.436113  0.0792499   0.08363     0.238837    29  LYS   A O    
2089 C CB   . LYS   B 17  ? 0.69008  0.607538 0.488808  0.113462    0.0548466   0.231576    29  LYS   A CB   
2090 C CG   . LYS   B 17  ? 0.749115 0.668422 0.527347  0.133001    0.0374448   0.219717    29  LYS   A CG   
2091 C CD   . LYS   B 17  ? 0.785013 0.736258 0.5313    0.145438    0.0346574   0.195632    29  LYS   A CD   
2092 C CE   . LYS   B 17  ? 0.896486 0.861065 0.612613  0.165897    0.018967    0.195664    29  LYS   A CE   
2093 N NZ   . LYS   B 17  ? 0.928483 0.888009 0.654504  0.170856    0.00437441  0.159238    29  LYS   A NZ   
2094 H H    . LYS   B 17  ? 0.558351 0.440713 0.404978  0.105053    0.0396698   0.16225     29  LYS   A H    
2095 H HA   . LYS   B 17  ? 0.588289 0.516526 0.392965  0.109808    0.0547972   0.18168     29  LYS   A HA   
2096 H HB2  . LYS   B 17  ? 0.703381 0.600822 0.520768  0.106804    0.0552026   0.250042    29  LYS   A HB2  
2097 H HB3  . LYS   B 17  ? 0.699754 0.641555 0.479394  0.114806    0.064024    0.243188    29  LYS   A HB3  
2098 H HG2  . LYS   B 17  ? 0.729568 0.629341 0.528181  0.131705    0.0296112   0.204868    29  LYS   A HG2  
2099 H HG3  . LYS   B 17  ? 0.777327 0.696134 0.545175  0.139367    0.0343724   0.242692    29  LYS   A HG3  
2100 H HD2  . LYS   B 17  ? 0.796062 0.767018 0.529647  0.143441    0.045866    0.202499    29  LYS   A HD2  
2101 H HD3  . LYS   B 17  ? 0.764876 0.710258 0.524406  0.141932    0.0317911   0.171489    29  LYS   A HD3  
2102 H HE2  . LYS   B 17  ? 0.907274 0.859644 0.627131  0.168512    0.0138011   0.21459     29  LYS   A HE2  
2103 H HE3  . LYS   B 17  ? 0.904654 0.894568 0.592885  0.173259    0.0228918   0.199764    29  LYS   A HE3  
2104 H HZ1  . LYS   B 17  ? 0.891106 0.830788 0.642379  0.164049    0.00246845  0.154715    29  LYS   A HZ1  
2105 H HZ2  . LYS   B 17  ? 0.891011 0.860972 0.613209  0.169298    0.00793008  0.143045    29  LYS   A HZ2  
2106 H HZ3  . LYS   B 17  ? 0.922206 0.889109 0.634116  0.182471    -0.00682676 0.157309    29  LYS   A HZ3  
2107 N N    . ASP   B 18  ? 0.536506 0.452516 0.393401  0.0749539   0.0738482   0.182608    30  ASP   A N    
2108 C CA   . ASP   B 18  ? 0.512794 0.437789 0.389911  0.0581701   0.0858291   0.185988    30  ASP   A CA   
2109 C C    . ASP   B 18  ? 0.455665 0.412382 0.318147  0.0624036   0.0911533   0.168125    30  ASP   A C    
2110 O O    . ASP   B 18  ? 0.442065 0.408214 0.323069  0.0503933   0.0978518   0.162979    30  ASP   A O    
2111 C CB   . ASP   B 18  ? 0.480109 0.377546 0.39202   0.0439519   0.0807903   0.169902    30  ASP   A CB   
2112 C CG   . ASP   B 18  ? 0.438639 0.329716 0.349928  0.0485017   0.0711565   0.136824    30  ASP   A CG   
2113 O OD1  . ASP   B 18  ? 0.403257 0.31194  0.29153   0.0599864   0.0687342   0.124942    30  ASP   A OD1  
2114 O OD2  . ASP   B 18  ? 0.455596 0.325218 0.390547  0.0403883   0.0663558   0.124085    30  ASP   A OD2  
2115 H H    . ASP   B 18  ? 0.520775 0.430855 0.377882  0.0790556   0.0663627   0.162862    30  ASP   A H    
2116 H HA   . ASP   B 18  ? 0.528113 0.457991 0.407744  0.0534784   0.0932378   0.209842    30  ASP   A HA   
2117 H HB2  . ASP   B 18  ? 0.476628 0.381472 0.402757  0.0325694   0.0873507   0.171887    30  ASP   A HB2  
2118 H HB3  . ASP   B 18  ? 0.498246 0.374478 0.422559  0.0419513   0.0772498   0.180328    30  ASP   A HB3  
2119 N N    . ARG   B 19  ? 0.455321 0.428157 0.287027  0.0801894   0.0865552   0.158178    31  ARG   A N    
2120 C CA   . ARG   B 19  ? 0.460999 0.461283 0.278384  0.0885915   0.0890683   0.139677    31  ARG   A CA   
2121 C C    . ARG   B 19  ? 0.435791 0.42662  0.273528  0.0809928   0.0837979   0.114561    31  ARG   A C    
2122 O O    . ARG   B 19  ? 0.407898 0.418307 0.245595  0.0833866   0.0869991   0.102606    31  ARG   A O    
2123 C CB   . ARG   B 19  ? 0.485009 0.521627 0.294994  0.0885663   0.105994    0.156657    31  ARG   A CB   
2124 C CG   . ARG   B 19  ? 0.534094 0.58761  0.316359  0.0984828   0.111766    0.182206    31  ARG   A CG   
2125 C CD   . ARG   B 19  ? 0.532529 0.628639 0.308689  0.0978571   0.131433    0.200072    31  ARG   A CD   
2126 N NE   . ARG   B 19  ? 0.517893 0.640256 0.294181  0.104984    0.135043    0.174088    31  ARG   A NE   
2127 C CZ   . ARG   B 19  ? 0.521149 0.664082 0.269227  0.125994    0.130751    0.151803    31  ARG   A CZ   
2128 N NH1  . ARG   B 19  ? 0.532649 0.675942 0.247491  0.141624    0.122109    0.150599    31  ARG   A NH1  
2129 N NH2  . ARG   B 19  ? 0.560515 0.725475 0.314861  0.132543    0.134178    0.130037    31  ARG   A NH2  
2130 H H    . ARG   B 19  ? 0.473471 0.439259 0.293648  0.0882945   0.0802949   0.162332    31  ARG   A H    
2131 H HA   . ARG   B 19  ? 0.465309 0.469532 0.262747  0.10164     0.0821774   0.131762    31  ARG   A HA   
2132 H HB2  . ARG   B 19  ? 0.481957 0.516514 0.313961  0.0748143   0.112633    0.166021    31  ARG   A HB2  
2133 H HB3  . ARG   B 19  ? 0.476103 0.529615 0.279333  0.0956918   0.106573    0.14116     31  ARG   A HB3  
2134 H HG2  . ARG   B 19  ? 0.531991 0.58946  0.291644  0.112704    0.103914    0.171027    31  ARG   A HG2  
2135 H HG3  . ARG   B 19  ? 0.538412 0.572943 0.329241  0.0918071   0.110156    0.199257    31  ARG   A HG3  
2136 H HD2  . ARG   B 19  ? 0.56403  0.676239 0.315113  0.107735    0.134496    0.213135    31  ARG   A HD2  
2137 H HD3  . ARG   B 19  ? 0.540361 0.632133 0.339143  0.0828922   0.138847    0.217535    31  ARG   A HD3  
2138 H HE   . ARG   B 19  ? 0.502534 0.626524 0.300668  0.0951255   0.139329    0.172352    31  ARG   A HE   
2139 H HH11 . ARG   B 19  ? 0.531353 0.650235 0.246477  0.141355    0.110572    0.146564    31  ARG   A HH11 
2140 H HH12 . ARG   B 19  ? 0.557269 0.727135 0.249546  0.152813    0.127614    0.153262    31  ARG   A HH12 
2141 H HH21 . ARG   B 19  ? 0.529113 0.698397 0.305274  0.122947    0.140132    0.132106    31  ARG   A HH21 
2142 H HH22 . ARG   B 19  ? 0.546849 0.721914 0.284837  0.146951    0.129618    0.1129      31  ARG   A HH22 
2143 N N    . GLY   B 20  ? 0.382808 0.345597 0.238089  0.0730332   0.0753649   0.106043    32  GLY   A N    
2144 C CA   . GLY   B 20  ? 0.393493 0.35141  0.266088  0.0642998   0.0719061   0.0867666   32  GLY   A CA   
2145 C C    . GLY   B 20  ? 0.356557 0.318016 0.218262  0.0748018   0.0625132   0.0661289   32  GLY   A C    
2146 O O    . GLY   B 20  ? 0.355097 0.319538 0.226548  0.0700991   0.0604194   0.0538131   32  GLY   A O    
2147 H H    . GLY   B 20  ? 0.409044 0.357505 0.264884  0.0739676   0.0716589   0.112181    32  GLY   A H    
2148 H HA2  . GLY   B 20  ? 0.375147 0.345167 0.255859  0.058028    0.0782984   0.0895834   32  GLY   A HA2  
2149 H HA3  . GLY   B 20  ? 0.37554  0.316423 0.261137  0.057249    0.0689372   0.0848811   32  GLY   A HA3  
2150 N N    . VAL   B 21  ? 0.375633 0.336647 0.218825  0.0887229   0.0554141   0.0634706   33  VAL   A N    
2151 C CA   . VAL   B 21  ? 0.353253 0.316131 0.189579  0.0985719   0.0444542   0.0440765   33  VAL   A CA   
2152 C C    . VAL   B 21  ? 0.382763 0.361766 0.192863  0.115897    0.0418531   0.0436268   33  VAL   A C    
2153 O O    . VAL   B 21  ? 0.397068 0.373541 0.194129  0.122643    0.0381413   0.0523209   33  VAL   A O    
2154 C CB   . VAL   B 21  ? 0.363274 0.308304 0.210506  0.0963582   0.0336385   0.0338186   33  VAL   A CB   
2155 C CG1  . VAL   B 21  ? 0.37207  0.319358 0.219138  0.103053    0.0224028   0.0158832   33  VAL   A CG1  
2156 C CG2  . VAL   B 21  ? 0.325554 0.258525 0.194268  0.081155    0.0370679   0.0333246   33  VAL   A CG2  
2157 H H    . VAL   B 21  ? 0.38548  0.344754 0.221347  0.0919622   0.0564761   0.074599    33  VAL   A H    
2158 H HA   . VAL   B 21  ? 0.350369 0.318918 0.192863  0.0960336   0.0456422   0.0373225   33  VAL   A HA   
2159 H HB   . VAL   B 21  ? 0.369472 0.310406 0.210729  0.101366    0.0308333   0.0392476   33  VAL   A HB   
2160 H HG11 . VAL   B 21  ? 0.361158 0.313998 0.210919  0.101629    0.0244088   0.0120147   33  VAL   A HG11 
2161 H HG12 . VAL   B 21  ? 0.38017  0.332505 0.214431  0.113502    0.0172828   0.013084    33  VAL   A HG12 
2162 H HG13 . VAL   B 21  ? 0.357709 0.296566 0.216352  0.0984253   0.0177604   0.011024    33  VAL   A HG13 
2163 H HG21 . VAL   B 21  ? 0.326756 0.252869 0.201683  0.0810686   0.0314954   0.0267371   33  VAL   A HG21 
2164 H HG22 . VAL   B 21  ? 0.338845 0.267271 0.210707  0.0770691   0.0422513   0.0430574   33  VAL   A HG22 
2165 H HG23 . VAL   B 21  ? 0.321592 0.259674 0.195323  0.0760686   0.0391953   0.0295192   33  VAL   A HG23 
2166 N N    . LEU   B 22  ? 0.37043  0.367704 0.172899  0.12451     0.0430011   0.0323012   34  LEU   A N    
2167 C CA   . LEU   B 22  ? 0.377981 0.395782 0.153728  0.143073    0.0406642   0.0257788   34  LEU   A CA   
2168 C C    . LEU   B 22  ? 0.383315 0.396664 0.160409  0.153278    0.0248496   -0.00134706 34  LEU   A C    
2169 O O    . LEU   B 22  ? 0.359167 0.36399  0.15694   0.147855    0.0215507   -0.0125012  34  LEU   A O    
2170 C CB   . LEU   B 22  ? 0.40387  0.450565 0.171861  0.146605    0.056437    0.0337825   34  LEU   A CB   
2171 C CG   . LEU   B 22  ? 0.400603 0.454133 0.173301  0.134057    0.072816    0.0628415   34  LEU   A CG   
2172 C CD1  . LEU   B 22  ? 0.420376 0.505463 0.196665  0.13495     0.0880107   0.0665457   34  LEU   A CD1  
2173 C CD2  . LEU   B 22  ? 0.42295  0.479038 0.173028  0.139387    0.0738445   0.0824826   34  LEU   A CD2  
2174 H H    . LEU   B 22  ? 0.356787 0.354468 0.171463  0.119391    0.0448354   0.0274917   34  LEU   A H    
2175 H HA   . LEU   B 22  ? 0.399336 0.416435 0.162441  0.146727    0.0388254   0.0345171   34  LEU   A HA   
2176 H HB2  . LEU   B 22  ? 0.38538  0.433362 0.166851  0.144776    0.0566223   0.0238924   34  LEU   A HB2  
2177 H HB3  . LEU   B 22  ? 0.417766 0.481085 0.165412  0.160312    0.0554466   0.0281007   34  LEU   A HB3  
2178 H HG   . LEU   B 22  ? 0.387572 0.422774 0.179542  0.121142    0.0718453   0.0662566   34  LEU   A HG   
2179 H HD11 . LEU   B 22  ? 0.396692 0.477187 0.191159  0.129698    0.0863803   0.0572131   34  LEU   A HD11 
2180 H HD12 . LEU   B 22  ? 0.422487 0.514447 0.202169  0.126842    0.0984944   0.0864961   34  LEU   A HD12 
2181 H HD13 . LEU   B 22  ? 0.430397 0.534976 0.188839  0.149175    0.0886147   0.0582376   34  LEU   A HD13 
2182 H HD21 . LEU   B 22  ? 0.42008  0.455406 0.174147  0.137279    0.0644397   0.0810487   34  LEU   A HD21 
2183 H HD22 . LEU   B 22  ? 0.442496 0.516675 0.170386  0.153217    0.0725842   0.0768368   34  LEU   A HD22 
2184 H HD23 . LEU   B 22  ? 0.431984 0.493426 0.186618  0.131413    0.0846719   0.102569    34  LEU   A HD23 
2185 N N    . LYS   B 23  ? 0.385242 0.404806 0.141886  0.168053    0.0137981   -0.0117618  35  LYS   A N    
2186 C CA   . LYS   B 23  ? 0.406188 0.416628 0.169857  0.175659    -0.0051509  -0.038456   35  LYS   A CA   
2187 C C    . LYS   B 23  ? 0.451773 0.483938 0.189167  0.197242    -0.0122299  -0.0577131  35  LYS   A C    
2188 O O    . LYS   B 23  ? 0.487255 0.539142 0.193975  0.20771     -0.00911751 -0.0490566  35  LYS   A O    
2189 C CB   . LYS   B 23  ? 0.430995 0.426129 0.200175  0.172666    -0.0189533  -0.0386049  35  LYS   A CB   
2190 C CG   . LYS   B 23  ? 0.461863 0.446426 0.247302  0.176314    -0.0399466  -0.0648281  35  LYS   A CG   
2191 C CD   . LYS   B 23  ? 0.475619 0.452269 0.269471  0.17449     -0.0540583  -0.0660912  35  LYS   A CD   
2192 C CE   . LYS   B 23  ? 0.472601 0.439843 0.29004   0.174265    -0.074111   -0.0895917  35  LYS   A CE   
2193 N NZ   . LYS   B 23  ? 0.447644 0.415122 0.272796  0.175095    -0.0887709  -0.0924121  35  LYS   A NZ   
2194 H H    . LYS   B 23  ? 0.411078 0.44134  0.149496  0.173428    0.0172752   -0.0017178  35  LYS   A H    
2195 H HA   . LYS   B 23  ? 0.394222 0.395496 0.177126  0.169705    -0.00632139 -0.0451706  35  LYS   A HA   
2196 H HB2  . LYS   B 23  ? 0.413365 0.396549 0.19754   0.160392    -0.0142205  -0.0272626  35  LYS   A HB2  
2197 H HB3  . LYS   B 23  ? 0.448574 0.453543 0.197899  0.180341    -0.0194475  -0.0320745  35  LYS   A HB3  
2198 H HG2  . LYS   B 23  ? 0.475829 0.471052 0.248049  0.188928    -0.0455545  -0.0793669  35  LYS   A HG2  
2199 H HG3  . LYS   B 23  ? 0.441061 0.414656 0.247358  0.167554    -0.0393658  -0.0675811  35  LYS   A HG3  
2200 H HD2  . LYS   B 23  ? 0.455454 0.423388 0.261907  0.163518    -0.0476401  -0.0528217  35  LYS   A HD2  
2201 H HD3  . LYS   B 23  ? 0.492415 0.480306 0.264898  0.184305    -0.0564242  -0.0631204  35  LYS   A HD3  
2202 H HE2  . LYS   B 23  ? 0.482303 0.455619 0.290445  0.184791    -0.0807945  -0.105388   35  LYS   A HE2  
2203 H HE3  . LYS   B 23  ? 0.447967 0.403609 0.287841  0.163022    -0.0716135  -0.0881452  35  LYS   A HE3  
2204 H HZ1  . LYS   B 23  ? 0.47368  0.452162 0.276908  0.185211    -0.0908262  -0.090469   35  LYS   A HZ1  
2205 H HZ2  . LYS   B 23  ? 0.440553 0.401822 0.27929   0.165429    -0.0833976  -0.0807842  35  LYS   A HZ2  
2206 H HZ3  . LYS   B 23  ? 0.460659 0.424641 0.300303  0.175407    -0.101712   -0.107815   35  LYS   A HZ3  
2207 N N    . ILE   B 24  ? 0.461243 0.489893 0.210419  0.205065    -0.0234526  -0.0848201  36  ILE   A N    
2208 C CA   . ILE   B 24  ? 0.508658 0.552859 0.237931  0.226686    -0.0365421  -0.112791   36  ILE   A CA   
2209 C C    . ILE   B 24  ? 0.527313 0.546213 0.283118  0.224799    -0.0607768  -0.136815   36  ILE   A C    
2210 O O    . ILE   B 24  ? 0.494773 0.491262 0.284764  0.21371     -0.0646612  -0.140277   36  ILE   A O    
2211 C CB   . ILE   B 24  ? 0.527873 0.595303 0.248511  0.242331    -0.0281445  -0.128401   36  ILE   A CB   
2212 C CG1  . ILE   B 24  ? 0.535092 0.631313 0.235312  0.241417    -0.00285501 -0.101889   36  ILE   A CG1  
2213 C CG2  . ILE   B 24  ? 0.575456 0.658131 0.276453  0.266901    -0.0446465  -0.164891   36  ILE   A CG2  
2214 C CD1  . ILE   B 24  ? 0.577568 0.706844 0.26804   0.257636    0.00937986  -0.113994   36  ILE   A CD1  
2215 H H    . ILE   B 24  ? 0.445678 0.461342 0.216831  0.196909    -0.0236967  -0.0863822  36  ILE   A H    
2216 H HA   . ILE   B 24  ? 0.527234 0.584656 0.232603  0.233114    -0.0366207  -0.107137   36  ILE   A HA   
2217 H HB   . ILE   B 24  ? 0.514085 0.567308 0.259951  0.236355    -0.0292122  -0.132681   36  ILE   A HB   
2218 H HG12 . ILE   B 24  ? 0.553761 0.660876 0.230837  0.244507    -0.00131302 -0.0915578  36  ILE   A HG12 
2219 H HG13 . ILE   B 24  ? 0.514949 0.598842 0.232591  0.225889    0.00489227  -0.0839073  36  ILE   A HG13 
2220 H HG21 . ILE   B 24  ? 0.583783 0.681626 0.281873  0.27762     -0.0386809  -0.176216   36  ILE   A HG21 
2221 H HG22 . ILE   B 24  ? 0.591496 0.690689 0.264894  0.273832    -0.0446402  -0.160862   36  ILE   A HG22 
2222 H HG23 . ILE   B 24  ? 0.571559 0.633294 0.291672  0.265103    -0.0615827  -0.1811     36  ILE   A HG23 
2223 H HD11 . ILE   B 24  ? 0.55911  0.67708  0.27306   0.257242    0.0052177   -0.12665    36  ILE   A HD11 
2224 H HD12 . ILE   B 24  ? 0.566351 0.71231  0.251006  0.252465    0.0264511   -0.0928635  36  ILE   A HD12 
2225 H HD13 . ILE   B 24  ? 0.597584 0.744585 0.265316  0.274161    0.00424879  -0.130485   36  ILE   A HD13 
2226 N N    . VAL   B 25  ? 0.507605 0.532273 0.24854   0.236011    -0.0783648  -0.153396   37  VAL   A N    
2227 C CA   . VAL   B 25  ? 0.508414 0.512844 0.277353  0.235189    -0.103269   -0.17967    37  VAL   A CA   
2228 C C    . VAL   B 25  ? 0.544505 0.551827 0.31616   0.252123    -0.112774   -0.213625   37  VAL   A C    
2229 O O    . VAL   B 25  ? 0.584683 0.619449 0.321688  0.274043    -0.11431    -0.232216   37  VAL   A O    
2230 C CB   . VAL   B 25  ? 0.544959 0.557002 0.300421  0.241429    -0.121277   -0.187599   37  VAL   A CB   
2231 C CG1  . VAL   B 25  ? 0.55398  0.549295 0.3408    0.241602    -0.14957    -0.219242   37  VAL   A CG1  
2232 C CG2  . VAL   B 25  ? 0.51751  0.526619 0.27333   0.227857    -0.113002   -0.1556     37  VAL   A CG2  
2233 H H    . VAL   B 25  ? 0.532348 0.574359 0.246645  0.243833    -0.0754919  -0.147641   37  VAL   A H    
2234 H HA   . VAL   B 25  ? 0.490986 0.476037 0.28802   0.22007     -0.10294    -0.170783   37  VAL   A HA   
2235 H HB   . VAL   B 25  ? 0.565258 0.599165 0.288779  0.256827    -0.120515   -0.194221   37  VAL   A HB   
2236 H HG11 . VAL   B 25  ? 0.536281 0.511679 0.354507  0.229245    -0.14941    -0.216895   37  VAL   A HG11 
2237 H HG12 . VAL   B 25  ? 0.58096  0.584962 0.355961  0.256442    -0.158273   -0.24312    37  VAL   A HG12 
2238 H HG13 . VAL   B 25  ? 0.556825 0.553635 0.345609  0.239258    -0.159536   -0.217826   37  VAL   A HG13 
2239 H HG21 . VAL   B 25  ? 0.533916 0.549562 0.282068  0.233448    -0.125521   -0.160931   37  VAL   A HG21 
2240 H HG22 . VAL   B 25  ? 0.518741 0.538047 0.254964  0.228731    -0.0970023  -0.137215   37  VAL   A HG22 
2241 H HG23 . VAL   B 25  ? 0.495707 0.487091 0.2804    0.213195    -0.111741   -0.148639   37  VAL   A HG23 
2242 N N    . LYS   B 26  ? 0.502977 0.482995 0.315789  0.24392     -0.121605   -0.224043   38  LYS   A N    
2243 C CA   . LYS   B 26  ? 0.551725 0.529479 0.373849  0.26104     -0.132478   -0.257389   38  LYS   A CA   
2244 C C    . LYS   B 26  ? 0.58492  0.544721 0.429855  0.265914    -0.163468   -0.291718   38  LYS   A C    
2245 O O    . LYS   B 26  ? 0.620972 0.584197 0.464517  0.28627     -0.177043   -0.3284     38  LYS   A O    
2246 C CB   . LYS   B 26  ? 0.530988 0.489141 0.386547  0.251737    -0.124636   -0.247258   38  LYS   A CB   
2247 C CG   . LYS   B 26  ? 0.513011 0.489275 0.352172  0.245675    -0.0963012  -0.216021   38  LYS   A CG   
2248 C CD   . LYS   B 26  ? 0.555929 0.573045 0.353422  0.265645    -0.0797616  -0.22002    38  LYS   A CD   
2249 C CE   . LYS   B 26  ? 0.580322 0.611587 0.379159  0.286853    -0.0796371  -0.246078   38  LYS   A CE   
2250 N NZ   . LYS   B 26  ? 0.665707 0.741683 0.426783  0.309239    -0.0653454  -0.256451   38  LYS   A NZ   
2251 H H    . LYS   B 26  ? 0.492955 0.455931 0.328762  0.228102    -0.120929   -0.209964   38  LYS   A H    
2252 H HA   . LYS   B 26  ? 0.567274 0.570001 0.359776  0.276973    -0.125213   -0.265335   38  LYS   A HA   
2253 H HB2  . LYS   B 26  ? 0.517998 0.453205 0.401691  0.236394    -0.131859   -0.238983   38  LYS   A HB2  
2254 H HB3  . LYS   B 26  ? 0.552791 0.509333 0.415791  0.26504     -0.132202   -0.269952   38  LYS   A HB3  
2255 H HG2  . LYS   B 26  ? 0.496499 0.469941 0.333136  0.231755    -0.0901903  -0.194713   38  LYS   A HG2  
2256 H HG3  . LYS   B 26  ? 0.50535  0.469989 0.366787  0.240887    -0.0941436  -0.211771   38  LYS   A HG3  
2257 H HD2  . LYS   B 26  ? 0.566975 0.596011 0.341246  0.27266     -0.0844359  -0.226424   38  LYS   A HD2  
2258 H HD3  . LYS   B 26  ? 0.531919 0.558013 0.322337  0.256621    -0.062803   -0.19532    38  LYS   A HD3  
2259 H HE2  . LYS   B 26  ? 0.574763 0.597324 0.394868  0.279905    -0.0734982  -0.235819   38  LYS   A HE2  
2260 H HE3  . LYS   B 26  ? 0.609439 0.625135 0.422585  0.293508    -0.0981638  -0.270519   38  LYS   A HE3  
2261 H HZ1  . LYS   B 26  ? 0.63222  0.723349 0.382896  0.302794    -0.047909   -0.233351   38  LYS   A HZ1  
2262 H HZ2  . LYS   B 26  ? 0.666041 0.752535 0.404776  0.317575    -0.0717341  -0.267169   38  LYS   A HZ2  
2263 H HZ3  . LYS   B 26  ? 0.658891 0.738908 0.429627  0.321707    -0.0674848  -0.275262   38  LYS   A HZ3  
2264 N N    . ARG   B 27  ? 0.568377 0.506585 0.443242  0.245983    -0.175022   -0.281219   39  ARG   A N    
2265 C CA   . ARG   B 27  ? 0.611135 0.536535 0.509566  0.247504    -0.205061   -0.310749   39  ARG   A CA   
2266 C C    . ARG   B 27  ? 0.603664 0.535924 0.500597  0.235012    -0.209441   -0.294942   39  ARG   A C    
2267 O O    . ARG   B 27  ? 0.564812 0.489404 0.477286  0.214716    -0.196426   -0.262791   39  ARG   A O    
2268 C CB   . ARG   B 27  ? 0.624739 0.512075 0.581603  0.234502    -0.220625   -0.318696   39  ARG   A CB   
2269 C CG   . ARG   B 27  ? 0.669645 0.542089 0.657799  0.235977    -0.254139   -0.353203   39  ARG   A CG   
2270 C CD   . ARG   B 27  ? 0.688091 0.520326 0.739988  0.218567    -0.268566   -0.352699   39  ARG   A CD   
2271 N NE   . ARG   B 27  ? 0.664392 0.48651  0.745759  0.188832    -0.259178   -0.313355   39  ARG   A NE   
2272 C CZ   . ARG   B 27  ? 0.67475  0.468123 0.803814  0.169348    -0.260861   -0.295028   39  ARG   A CZ   
2273 N NH1  . ARG   B 27  ? 0.71505  0.480439 0.873583  0.175538    -0.273584   -0.310676   39  ARG   A NH1  
2274 N NH2  . ARG   B 27  ? 0.691732 0.486758 0.836237  0.145189    -0.247899   -0.259065   39  ARG   A NH2  
2275 H H    . ARG   B 27  ? 0.544974 0.477668 0.427626  0.230975    -0.164151   -0.255966   39  ARG   A H    
2276 H HA   . ARG   B 27  ? 0.642596 0.581724 0.520576  0.266252    -0.213715   -0.336976   39  ARG   A HA   
2277 H HB2  . ARG   B 27  ? 0.631561 0.514114 0.59049   0.242981    -0.216908   -0.325948   39  ARG   A HB2  
2278 H HB3  . ARG   B 27  ? 0.596981 0.473984 0.572273  0.215949    -0.212439   -0.292607   39  ARG   A HB3  
2279 H HG2  . ARG   B 27  ? 0.664892 0.54616  0.650071  0.229375    -0.258492   -0.347614   39  ARG   A HG2  
2280 H HG3  . ARG   B 27  ? 0.700841 0.582667 0.671637  0.255443    -0.263494   -0.382477   39  ARG   A HG3  
2281 H HD2  . ARG   B 27  ? 0.71387  0.536437 0.785999  0.222304    -0.291262   -0.37965    39  ARG   A HD2  
2282 H HD3  . ARG   B 27  ? 0.689599 0.512619 0.745117  0.224308    -0.262692   -0.3531     39  ARG   A HD3  
2283 H HE   . ARG   B 27  ? 0.650947 0.488431 0.717062  0.184199    -0.25183    -0.300821   39  ARG   A HE   
2284 H HH11 . ARG   B 27  ? 0.738127 0.494996 0.908014  0.185245    -0.291883   -0.338966   39  ARG   A HH11 
2285 H HH12 . ARG   B 27  ? 0.699369 0.454825 0.866652  0.170368    -0.264448   -0.293111   39  ARG   A HH12 
2286 H HH21 . ARG   B 27  ? 0.652516 0.46384  0.771737  0.143763    -0.231149   -0.24232    39  ARG   A HH21 
2287 H HH22 . ARG   B 27  ? 0.67653  0.457087 0.857362  0.130626    -0.255924   -0.252107   39  ARG   A HH22 
2288 N N    . VAL   B 28  ? 0.654103 0.602833 0.53338   0.248795    -0.229443   -0.320257   40  VAL   A N    
2289 C CA   . VAL   B 28  ? 0.66039  0.620273 0.536845  0.240802    -0.234926   -0.306172   40  VAL   A CA   
2290 C C    . VAL   B 28  ? 0.650411 0.585796 0.587458  0.218351    -0.25121    -0.306064   40  VAL   A C    
2291 O O    . VAL   B 28  ? 0.663693 0.578119 0.638002  0.21572     -0.270326   -0.330462   40  VAL   A O    
2292 C CB   . VAL   B 28  ? 0.732942 0.722148 0.569356  0.263679    -0.252356   -0.331639   40  VAL   A CB   
2293 C CG1  . VAL   B 28  ? 0.771928 0.769901 0.617982  0.256248    -0.266689   -0.323671   40  VAL   A CG1  
2294 C CG2  . VAL   B 28  ? 0.736185 0.755982 0.510627  0.28304     -0.231475   -0.321554   40  VAL   A CG2  
2295 H H    . VAL   B 28  ? 0.681549 0.63572  0.550987  0.264044    -0.240393   -0.347223   40  VAL   A H    
2296 H HA   . VAL   B 28  ? 0.640623 0.60671  0.502661  0.23513     -0.216022   -0.278619   40  VAL   A HA   
2297 H HB   . VAL   B 28  ? 0.757178 0.74102  0.604509  0.271686    -0.270164   -0.362697   40  VAL   A HB   
2298 H HG11 . VAL   B 28  ? 0.727079 0.720605 0.581517  0.243279    -0.252082   -0.295286   40  VAL   A HG11 
2299 H HG12 . VAL   B 28  ? 0.764477 0.751077 0.644987  0.250052    -0.286175   -0.34163    40  VAL   A HG12 
2300 H HG13 . VAL   B 28  ? 0.780044 0.8008   0.590654  0.271106    -0.271453   -0.329147   40  VAL   A HG13 
2301 H HG21 . VAL   B 28  ? 0.769572 0.809927 0.516894  0.298063    -0.243193   -0.337521   40  VAL   A HG21 
2302 H HG22 . VAL   B 28  ? 0.743813 0.760759 0.515813  0.288566    -0.223397   -0.329183   40  VAL   A HG22 
2303 H HG23 . VAL   B 28  ? 0.71693  0.739923 0.482562  0.274941    -0.214717   -0.291199   40  VAL   A HG23 
2304 N N    . GLY   B 29  ? 0.588229 0.526922 0.538574  0.201903    -0.243393   -0.278039   41  GLY   A N    
2305 C CA   . GLY   B 29  ? 0.582821 0.506747 0.590823  0.179885    -0.255611   -0.27455    41  GLY   A CA   
2306 C C    . GLY   B 29  ? 0.655091 0.59442  0.674918  0.183885    -0.282807   -0.295198   41  GLY   A C    
2307 O O    . GLY   B 29  ? 0.719648 0.677584 0.702643  0.205275    -0.296194   -0.317567   41  GLY   A O    
2308 H H    . GLY   B 29  ? 0.587902 0.539395 0.51232   0.204544    -0.229765   -0.260468   41  GLY   A H    
2309 H HA2  . GLY   B 29  ? 0.596839 0.501892 0.632102  0.174178    -0.262154   -0.283688   41  GLY   A HA2  
2310 H HA3  . GLY   B 29  ? 0.563675 0.487531 0.578556  0.167463    -0.239671   -0.248721   41  GLY   A HA3  
2311 N N    . ASN   B 30  ? 0.629145 0.563724 0.702042  0.162916    -0.290933   -0.287275   42  ASN   A N    
2312 C CA   . ASN   B 30  ? 0.648311 0.595508 0.750142  0.161918    -0.319905   -0.308306   42  ASN   A CA   
2313 C C    . ASN   B 30  ? 0.653507 0.625198 0.754143  0.157837    -0.311497   -0.284295   42  ASN   A C    
2314 O O    . ASN   B 30  ? 0.647047 0.616978 0.754322  0.144748    -0.285887   -0.252214   42  ASN   A O    
2315 C CB   . ASN   B 30  ? 0.706906 0.630886 0.876588  0.141935    -0.337814   -0.320746   42  ASN   A CB   
2316 H H    . ASN   B 30  ? 0.608301 0.533629 0.700928  0.148303    -0.277312   -0.267255   42  ASN   A H    
2317 H HA   . ASN   B 30  ? 0.690697 0.646488 0.766469  0.179154    -0.334137   -0.331567   42  ASN   A HA   
2320 N N    . GLY   B 31  ? 0.693088 0.688569 0.783606  0.171154    -0.333805   -0.301295   43  GLY   A N    
2321 C CA   . GLY   B 31  ? 0.684838 0.70508  0.776956  0.171765    -0.331792   -0.282994   43  GLY   A CA   
2322 C C    . GLY   B 31  ? 0.68403  0.711904 0.720723  0.184608    -0.306157   -0.254998   43  GLY   A C    
2323 O O    . GLY   B 31  ? 0.741158 0.759405 0.7352    0.19357     -0.290867   -0.251322   43  GLY   A O    
2324 H H    . GLY   B 31  ? 0.717774 0.714747 0.800364  0.181461    -0.352406   -0.326718   43  GLY   A H    
2325 H HA2  . GLY   B 31  ? 0.708878 0.744144 0.801842  0.180575    -0.35429    -0.301275   43  GLY   A HA2  
2326 H HA3  . GLY   B 31  ? 0.6646   0.683027 0.79773   0.154697    -0.326343   -0.270936   43  GLY   A HA3  
2327 N N    . GLU   B 32  ? 0.621078 0.66588  0.664411  0.184639    -0.301486   -0.234879   44  GLU   A N    
2328 C CA   . GLU   B 32  ? 0.602478 0.650233 0.603107  0.194522    -0.278579   -0.206221   44  GLU   A CA   
2329 C C    . GLU   B 32  ? 0.532152 0.568997 0.558529  0.176699    -0.250327   -0.17884    44  GLU   A C    
2330 O O    . GLU   B 32  ? 0.537427 0.567842 0.531033  0.181292    -0.228649   -0.157389   44  GLU   A O    
2331 C CB   . GLU   B 32  ? 0.589378 0.661182 0.56488   0.213952    -0.292644   -0.201355   44  GLU   A CB   
2332 H H    . GLU   B 32  ? 0.627174 0.681641 0.704966  0.178479    -0.313388   -0.239413   44  GLU   A H    
2333 H HA   . GLU   B 32  ? 0.600989 0.641621 0.566638  0.201707    -0.270706   -0.206677   44  GLU   A HA   
2336 N N    . GLU   B 33  ? 0.492649 0.527996 0.575211  0.156122    -0.249194   -0.179286   45  GLU   A N    
2337 C CA   . GLU   B 33  ? 0.462937 0.495695 0.567597  0.141264    -0.223154   -0.155541   45  GLU   A CA   
2338 C C    . GLU   B 33  ? 0.445951 0.456864 0.519804  0.137133    -0.197937   -0.141638   45  GLU   A C    
2339 O O    . GLU   B 33  ? 0.445093 0.440633 0.512151  0.133817    -0.199723   -0.151102   45  GLU   A O    
2340 C CB   . GLU   B 33  ? 0.482869 0.52343  0.65187   0.119113    -0.225362   -0.157398   45  GLU   A CB   
2341 C CG   . GLU   B 33  ? 0.54913  0.617711 0.763787  0.118168    -0.244739   -0.166108   45  GLU   A CG   
2342 C CD   . GLU   B 33  ? 0.61163  0.704158 0.858346  0.114537    -0.231697   -0.150999   45  GLU   A CD   
2343 O OE1  . GLU   B 33  ? 0.537372 0.628021 0.779565  0.110133    -0.205192   -0.132839   45  GLU   A OE1  
2344 O OE2  . GLU   B 33  ? 0.663574 0.781588 0.944488  0.117954    -0.250783   -0.160425   45  GLU   A OE2  
2345 H H    . GLU   B 33  ? 0.507349 0.544767 0.615272  0.151183    -0.265086   -0.194953   45  GLU   A H    
2346 H HA   . GLU   B 33  ? 0.465559 0.508332 0.563796  0.148976    -0.220123   -0.146243   45  GLU   A HA   
2347 H HB2  . GLU   B 33  ? 0.493434 0.522968 0.672228  0.112087    -0.23238    -0.167077   45  GLU   A HB2  
2348 H HB3  . GLU   B 33  ? 0.466605 0.505433 0.642427  0.110095    -0.205757   -0.142168   45  GLU   A HB3  
2349 H HG2  . GLU   B 33  ? 0.569518 0.643898 0.76486   0.132961    -0.261207   -0.176518   45  GLU   A HG2  
2350 H HG3  . GLU   B 33  ? 0.553572 0.622184 0.801266  0.10624     -0.255022   -0.175613   45  GLU   A HG3  
2351 N N    . THR   B 34  ? 0.395714 0.40518  0.458003  0.136095    -0.175029   -0.120267   46  THR   A N    
2352 C CA   . THR   B 34  ? 0.391964 0.384756 0.438186  0.127438    -0.150919   -0.106448   46  THR   A CA   
2353 C C    . THR   B 34  ? 0.390106 0.389495 0.465558  0.11396     -0.13326    -0.0926049  46  THR   A C    
2354 O O    . THR   B 34  ? 0.390279 0.405839 0.4861    0.117396    -0.136543   -0.0915188  46  THR   A O    
2355 C CB   . THR   B 34  ? 0.399026 0.383696 0.395336  0.140818    -0.139765   -0.0959099  46  THR   A CB   
2356 O OG1  . THR   B 34  ? 0.388324 0.38219  0.385808  0.148477    -0.138205   -0.0851367  46  THR   A OG1  
2357 C CG2  . THR   B 34  ? 0.43364  0.418941 0.39525   0.156445    -0.154109   -0.109216   46  THR   A CG2  
2358 H H    . THR   B 34  ? 0.406023 0.425393 0.47213   0.141367    -0.175622   -0.115116   46  THR   A H    
2359 H HA   . THR   B 34  ? 0.394033 0.378474 0.44641   0.120872    -0.153428   -0.112948   46  THR   A HA   
2360 H HB   . THR   B 34  ? 0.385405 0.360735 0.375959  0.133737    -0.124382   -0.0873351  46  THR   A HB   
2362 H HG21 . THR   B 34  ? 0.43591  0.418197 0.368078  0.162751    -0.144021   -0.0996653  46  THR   A HG21 
2363 H HG22 . THR   B 34  ? 0.446601 0.442757 0.408823  0.164992    -0.16926    -0.116472   46  THR   A HG22 
2364 H HG23 . THR   B 34  ? 0.433201 0.412543 0.402174  0.15202     -0.158557   -0.120306   46  THR   A HG23 
2365 N N    . PRO   B 35  ? 0.351964 0.34237  0.431172  0.0995428   -0.115172   -0.0830966  47  PRO   A N    
2366 C CA   . PRO   B 35  ? 0.340018 0.343525 0.450219  0.0857707   -0.10041    -0.0737562  47  PRO   A CA   
2367 C C    . PRO   B 35  ? 0.301869 0.310535 0.401343  0.0936331   -0.0864574  -0.0657268  47  PRO   A C    
2368 O O    . PRO   B 35  ? 0.342762 0.33665  0.407026  0.102653    -0.0797685  -0.0599516  47  PRO   A O    
2369 C CB   . PRO   B 35  ? 0.32242  0.314953 0.431931  0.0705805   -0.0880388  -0.0656231  47  PRO   A CB   
2370 C CG   . PRO   B 35  ? 0.338169 0.310196 0.408634  0.0807007   -0.0909347  -0.0686995  47  PRO   A CG   
2371 C CD   . PRO   B 35  ? 0.357209 0.329446 0.416709  0.0958046   -0.110635   -0.0827193  47  PRO   A CD   
2372 H HA   . PRO   B 35  ? 0.331911 0.348361 0.472079  0.0813374   -0.109144   -0.0787201  47  PRO   A HA   
2373 H HB2  . PRO   B 35  ? 0.31501  0.312061 0.42348   0.0655188   -0.0729102  -0.0569687  47  PRO   A HB2  
2374 H HB3  . PRO   B 35  ? 0.32747  0.322819 0.462098  0.0609578   -0.0945254  -0.0674968  47  PRO   A HB3  
2375 H HG2  . PRO   B 35  ? 0.331661 0.300252 0.380964  0.0843744   -0.0793555  -0.0617345  47  PRO   A HG2  
2376 H HG3  . PRO   B 35  ? 0.336687 0.300276 0.41086   0.0736681   -0.0910802  -0.0681298  47  PRO   A HG3  
2377 H HD2  . PRO   B 35  ? 0.362752 0.32884  0.391962  0.105807    -0.108283   -0.0817738  47  PRO   A HD2  
2378 H HD3  . PRO   B 35  ? 0.364887 0.33383  0.436934  0.0934331   -0.123033   -0.0924349  47  PRO   A HD3  
2379 N N    . MET   B 36  ? 0.284049 0.313414 0.417055  0.087474    -0.0795399  -0.0645667  48  MET   A N    
2380 C CA   . MET   B 36  ? 0.279309 0.316773 0.414727  0.0951203   -0.0674659  -0.0613981  48  MET   A CA   
2381 C C    . MET   B 36  ? 0.288237 0.327076 0.420723  0.0827394   -0.044597   -0.054819   48  MET   A C    
2382 O O    . MET   B 36  ? 0.273731 0.319312 0.41719   0.0666156   -0.0386546  -0.0507539  48  MET   A O    
2383 C CB   . MET   B 36  ? 0.29773  0.364651 0.476645  0.0978816   -0.0737671  -0.067838   48  MET   A CB   
2384 C CG   . MET   B 36  ? 0.341784 0.414094 0.528789  0.111339    -0.0996258  -0.0758798  48  MET   A CG   
2385 S SD   . MET   B 36  ? 0.377219 0.427728 0.52177   0.134644    -0.105113   -0.0698951  48  MET   A SD   
2386 C CE   . MET   B 36  ? 0.441632 0.504992 0.592752  0.147164    -0.137363   -0.0799378  48  MET   A CE   
2387 H H    . MET   B 36  ? 0.283314 0.323479 0.441775  0.0780124   -0.0824395  -0.0663627  48  MET   A H    
2388 H HA   . MET   B 36  ? 0.295347 0.319903 0.407734  0.106393    -0.0700496  -0.0595301  48  MET   A HA   
2389 H HB2  . MET   B 36  ? 0.291808 0.372957 0.494122  0.0852682   -0.0699712  -0.0677228  48  MET   A HB2  
2390 H HB3  . MET   B 36  ? 0.297247 0.368991 0.479204  0.103364    -0.0644576  -0.067042   48  MET   A HB3  
2391 H HG2  . MET   B 36  ? 0.342274 0.409568 0.526267  0.106927    -0.110137   -0.0796771  48  MET   A HG2  
2392 H HG3  . MET   B 36  ? 0.336218 0.429894 0.555043  0.111863    -0.102911   -0.0798172  48  MET   A HG3  
2393 H HE1  . MET   B 36  ? 0.444883 0.500799 0.573714  0.160729    -0.143529   -0.0751382  48  MET   A HE1  
2394 H HE2  . MET   B 36  ? 0.43238  0.491491 0.576273  0.141321    -0.143988   -0.085348   48  MET   A HE2  
2395 H HE3  . MET   B 36  ? 0.427177 0.510555 0.612244  0.146528    -0.14269    -0.0851133  48  MET   A HE3  
2396 N N    . ILE   B 37  ? 0.274492 0.308718 0.395259  0.0900486   -0.0322945  -0.0537055  49  ILE   A N    
2397 C CA   . ILE   B 37  ? 0.254519 0.295641 0.373837  0.08053     -0.0122636  -0.0520268  49  ILE   A CA   
2398 C C    . ILE   B 37  ? 0.22617  0.301968 0.381549  0.0695466   -0.00514112 -0.0536901  49  ILE   A C    
2399 O O    . ILE   B 37  ? 0.210368 0.307969 0.396443  0.075869    -0.00879619 -0.06015    49  ILE   A O    
2400 C CB   . ILE   B 37  ? 0.273669 0.306058 0.38445   0.0917143   -0.00363128 -0.0559577  49  ILE   A CB   
2401 C CG1  . ILE   B 37  ? 0.30616  0.30734  0.383646  0.0967774   -0.00687021 -0.049355   49  ILE   A CG1  
2402 C CG2  . ILE   B 37  ? 0.287631 0.335578 0.40127   0.0829304   0.015699    -0.06017    49  ILE   A CG2  
2403 C CD1  . ILE   B 37  ? 0.365355 0.350816 0.437444  0.106279    -0.0016735  -0.0507137  49  ILE   A CD1  
2404 H H    . ILE   B 37  ? 0.283313 0.310015 0.397386  0.101459    -0.0375951  -0.0543645  49  ILE   A H    
2405 H HA   . ILE   B 37  ? 0.251988 0.282141 0.353549  0.073444    -0.00928208 -0.0470457  49  ILE   A HA   
2406 H HB   . ILE   B 37  ? 0.284559 0.323716 0.41184   0.101409    -0.00894649 -0.0603475  49  ILE   A HB   
2407 H HG12 . ILE   B 37  ? 0.303729 0.300197 0.367158  0.0877262   -0.00179727 -0.0457404  49  ILE   A HG12 
2408 H HG13 . ILE   B 37  ? 0.314529 0.309578 0.387049  0.102576    -0.0185836  -0.0467296  49  ILE   A HG13 
2409 H HG21 . ILE   B 37  ? 0.288527 0.326372 0.395225  0.0893647   0.0197558   -0.064381   49  ILE   A HG21 
2410 H HG22 . ILE   B 37  ? 0.27688  0.322147 0.377109  0.0727121   0.0197144   -0.0546544  49  ILE   A HG22 
2411 H HG23 . ILE   B 37  ? 0.27937  0.351511 0.415867  0.0814217   0.0195701   -0.0643694  49  ILE   A HG23 
2412 H HD11 . ILE   B 37  ? 0.354027 0.348041 0.445662  0.11424     -0.00355558 -0.0562953  49  ILE   A HD11 
2413 H HD12 . ILE   B 37  ? 0.357722 0.325403 0.413419  0.111328    -0.00742034 -0.0436541  49  ILE   A HD12 
2414 H HD13 . ILE   B 37  ? 0.345887 0.330864 0.41275   0.0996948   0.0088111   -0.0531162  49  ILE   A HD13 
2415 N N    . GLY   B 38  ? 0.222585 0.306916 0.374191  0.0538253   0.00745245  -0.0465234  50  GLY   A N    
2416 C CA   . GLY   B 38  ? 0.228281 0.348861 0.410892  0.0405558   0.0176766   -0.0425694  50  GLY   A CA   
2417 C C    . GLY   B 38  ? 0.25644  0.377491 0.456886  0.024871    0.00791518  -0.0316408  50  GLY   A C    
2418 O O    . GLY   B 38  ? 0.21618  0.365198 0.440784  0.00933514  0.0177126   -0.0215127  50  GLY   A O    
2419 H H    . GLY   B 38  ? 0.223726 0.292323 0.352655  0.0511111   0.00996431  -0.0424983  50  GLY   A H    
2420 H HA2  . GLY   B 38  ? 0.231278 0.360018 0.403128  0.0358397   0.0312327   -0.0403059  50  GLY   A HA2  
2421 H HA3  . GLY   B 38  ? 0.232205 0.371283 0.437294  0.046513    0.0177852   -0.049203   50  GLY   A HA3  
2422 N N    . ASP   B 39  ? 0.237805 0.33371  0.434288  0.0301996   -0.0124112  -0.0352883  51  ASP   A N    
2423 C CA   . ASP   B 39  ? 0.253482 0.345481 0.473069  0.0180797   -0.0266968  -0.0307467  51  ASP   A CA   
2424 C C    . ASP   B 39  ? 0.245916 0.3256   0.451854  0.00379616  -0.0194242  -0.0160256  51  ASP   A C    
2425 O O    . ASP   B 39  ? 0.232837 0.29563  0.401802  0.00799762  -0.0116121  -0.0135452  51  ASP   A O    
2426 C CB   . ASP   B 39  ? 0.246489 0.313885 0.457179  0.0298158   -0.0503326  -0.0423524  51  ASP   A CB   
2427 C CG   . ASP   B 39  ? 0.271234 0.352487 0.502593  0.0420867   -0.0649853  -0.0549911  51  ASP   A CG   
2428 O OD1  . ASP   B 39  ? 0.264989 0.37743  0.528672  0.0401771   -0.0580866  -0.0553021  51  ASP   A OD1  
2429 O OD2  . ASP   B 39  ? 0.305493 0.36952  0.521877  0.0539092   -0.084322   -0.0649085  51  ASP   A OD2  
2430 H H    . ASP   B 39  ? 0.246668 0.327546 0.425936  0.0419564   -0.0179921  -0.0412329  51  ASP   A H    
2431 H HA   . ASP   B 39  ? 0.246792 0.362175 0.498756  0.0113058   -0.0259909  -0.0294487  51  ASP   A HA   
2432 H HB2  . ASP   B 39  ? 0.254814 0.303959 0.43369   0.0382806   -0.0489979  -0.0435825  51  ASP   A HB2  
2433 H HB3  . ASP   B 39  ? 0.259731 0.319254 0.481388  0.0215547   -0.0590832  -0.0405843  51  ASP   A HB3  
2434 N N    . LYS   B 40  ? 0.260949 0.349712 0.500808  -0.0135391  -0.0233185  -0.00502139 52  LYS   A N    
2435 C CA   . LYS   B 40  ? 0.280176 0.354427 0.512709  -0.0267079  -0.0206992  0.0116868   52  LYS   A CA   
2436 C C    . LYS   B 40  ? 0.260866 0.297913 0.486259  -0.0204244  -0.0423973  0.00259903  52  LYS   A C    
2437 O O    . LYS   B 40  ? 0.328794 0.361097 0.580194  -0.0189873  -0.0611624  -0.00896785 52  LYS   A O    
2438 C CB   . LYS   B 40  ? 0.324502 0.422194 0.6022    -0.0485756  -0.0176337  0.0300477   52  LYS   A CB   
2439 C CG   . LYS   B 40  ? 0.374812 0.470136 0.645751  -0.0637876  -0.00803404 0.0551369   52  LYS   A CG   
2440 C CD   . LYS   B 40  ? 0.464466 0.58821  0.783125  -0.0865568  -0.00302576 0.0775449   52  LYS   A CD   
2441 C CE   . LYS   B 40  ? 0.536821 0.670313 0.840675  -0.0997922  0.0124116   0.106302    52  LYS   A CE   
2442 N NZ   . LYS   B 40  ? 0.585918 0.720726 0.933894  -0.122607   0.00684946  0.133519    52  LYS   A NZ   
2443 H H    . LYS   B 40  ? 0.263887 0.367804 0.533756  -0.0173576  -0.0283573  -0.00699136 52  LYS   A H    
2444 H HA   . LYS   B 40  ? 0.27343  0.347717 0.479489  -0.0248116  -0.00864186 0.0161296   52  LYS   A HA   
2445 H HB2  . LYS   B 40  ? 0.319612 0.446587 0.610523  -0.0501157  -0.00708338 0.0303089   52  LYS   A HB2  
2446 H HB3  . LYS   B 40  ? 0.330498 0.418816 0.633239  -0.0516437  -0.0331906  0.0257833   52  LYS   A HB3  
2447 H HG2  . LYS   B 40  ? 0.385742 0.452302 0.648882  -0.0621508  -0.0195418  0.0548761   52  LYS   A HG2  
2448 H HG3  . LYS   B 40  ? 0.375841 0.481048 0.620001  -0.0602778  0.00606069  0.0576606   52  LYS   A HG3  
2449 H HD2  . LYS   B 40  ? 0.450312 0.603838 0.783551  -0.0867491  0.00557611  0.073884    52  LYS   A HD2  
2450 H HD3  . LYS   B 40  ? 0.466683 0.574282 0.81239   -0.092366   -0.0187946  0.077451    52  LYS   A HD3  
2451 H HE2  . LYS   B 40  ? 0.525672 0.635372 0.800453  -0.0928725  0.00900033  0.104698    52  LYS   A HE2  
2452 H HE3  . LYS   B 40  ? 0.52375  0.687878 0.817397  -0.0998262  0.0295831   0.109149    52  LYS   A HE3  
2453 H HZ1  . LYS   B 40  ? 0.582344 0.686386 0.939346  -0.122022   -0.00967842 0.129902    52  LYS   A HZ1  
2454 H HZ2  . LYS   B 40  ? 0.576921 0.734373 0.955338  -0.129905   0.00931489  0.134986    52  LYS   A HZ2  
2455 H HZ3  . LYS   B 40  ? 0.584912 0.729314 0.922468  -0.130183   0.0170203   0.153018    52  LYS   A HZ3  
2456 N N    . VAL   B 41  ? 0.292609 0.30612  0.482456  -0.0149506  -0.0403078  0.00499461  53  VAL   A N    
2457 C CA   . VAL   B 41  ? 0.305805 0.287842 0.480633  -0.00409677 -0.0571935  -0.00697026 53  VAL   A CA   
2458 C C    . VAL   B 41  ? 0.300313 0.264529 0.481606  -0.0145409  -0.0601866  0.00729845  53  VAL   A C    
2459 O O    . VAL   B 41  ? 0.278495 0.250191 0.4479    -0.022174   -0.0455413  0.0247472   53  VAL   A O    
2460 C CB   . VAL   B 41  ? 0.334976 0.309174 0.464606  0.013321    -0.0505558  -0.0159679  53  VAL   A CB   
2461 C CG1  . VAL   B 41  ? 0.371437 0.320471 0.480623  0.025667    -0.063271   -0.0270225  53  VAL   A CG1  
2462 C CG2  . VAL   B 41  ? 0.332564 0.321041 0.46062   0.0243293   -0.0505062  -0.0273644  53  VAL   A CG2  
2463 H H    . VAL   B 41  ? 0.281102 0.301111 0.455906  -0.0177683  -0.0274434  0.0138284   53  VAL   A H    
2464 H HA   . VAL   B 41  ? 0.314174 0.293598 0.505926  -0.00136891 -0.0708596  -0.0177178  53  VAL   A HA   
2465 H HB   . VAL   B 41  ? 0.326375 0.305307 0.442466  0.00965719  -0.0374862  -0.00661949 53  VAL   A HB   
2466 H HG11 . VAL   B 41  ? 0.372397 0.31619  0.497664  0.0272565   -0.0775292  -0.0362513  53  VAL   A HG11 
2467 H HG12 . VAL   B 41  ? 0.363594 0.303724 0.46827   0.0217401   -0.06084    -0.0196824  53  VAL   A HG12 
2468 H HG13 . VAL   B 41  ? 0.359141 0.307306 0.444439  0.0364391   -0.0600216  -0.0325496  53  VAL   A HG13 
2469 H HG21 . VAL   B 41  ? 0.329744 0.310951 0.431529  0.0346362   -0.0475727  -0.0310864  53  VAL   A HG21 
2470 H HG22 . VAL   B 41  ? 0.324666 0.331184 0.464095  0.0185489   -0.040397   -0.0220005  53  VAL   A HG22 
2471 H HG23 . VAL   B 41  ? 0.33864  0.32624  0.481886  0.0270997   -0.0640711  -0.0360548  53  VAL   A HG23 
2472 N N    . TYR   B 42  ? 0.315821 0.256678 0.514702  -0.0122007  -0.0809924  -0.00306323 54  TYR   A N    
2473 C CA   . TYR   B 42  ? 0.355272 0.272794 0.569264  -0.0195982  -0.0897782  0.00727087  54  TYR   A CA   
2474 C C    . TYR   B 42  ? 0.319777 0.211607 0.50823   -0.00023012 -0.101486   -0.0126753  54  TYR   A C    
2475 O O    . TYR   B 42  ? 0.348734 0.23376  0.537823  0.0116112   -0.116545   -0.0363022  54  TYR   A O    
2476 C CB   . TYR   B 42  ? 0.389714 0.301327 0.657798  -0.0337625  -0.107115   0.00827337  54  TYR   A CB   
2477 C CG   . TYR   B 42  ? 0.442785 0.38466  0.745338  -0.054633   -0.0961663  0.0289469   54  TYR   A CG   
2478 C CD1  . TYR   B 42  ? 0.451786 0.420725 0.764985  -0.053217   -0.093734   0.0180056   54  TYR   A CD1  
2479 C CD2  . TYR   B 42  ? 0.471727 0.417622 0.799324  -0.0751839  -0.0892509  0.0600131   54  TYR   A CD2  
2480 C CE1  . TYR   B 42  ? 0.491028 0.493571 0.838013  -0.0708522  -0.0820779  0.0352805   54  TYR   A CE1  
2481 C CE2  . TYR   B 42  ? 0.470867 0.45136  0.828322  -0.094035   -0.0763065  0.0802739   54  TYR   A CE2  
2482 C CZ   . TYR   B 42  ? 0.515043 0.525116 0.883875  -0.0917489  -0.0723248  0.0663744   54  TYR   A CZ   
2483 O OH   . TYR   B 42  ? 0.498858 0.548733 0.901726  -0.108634   -0.0592498  0.0829273   54  TYR   A OH   
2484 H H    . TYR   B 42  ? 0.324291 0.263199 0.526675  -0.00470243 -0.0914038  -0.0183479  54  TYR   A H    
2485 H HA   . TYR   B 42  ? 0.340927 0.264323 0.548417  -0.0271284  -0.0779464  0.0253948   54  TYR   A HA   
2486 H HB2  . TYR   B 42  ? 0.401206 0.308027 0.673573  -0.0252653  -0.120069   -0.01192    54  TYR   A HB2  
2487 H HB3  . TYR   B 42  ? 0.41123  0.302938 0.691013  -0.0372511  -0.11502    0.0141087   54  TYR   A HB3  
2488 H HD1  . TYR   B 42  ? 0.450683 0.417441 0.747164  -0.03934    -0.0992182  -0.00052621 54  TYR   A HD1  
2489 H HD2  . TYR   B 42  ? 0.476941 0.404448 0.798741  -0.0755528  -0.0919487  0.0689005   54  TYR   A HD2  
2490 H HE1  . TYR   B 42  ? 0.474869 0.497135 0.830747  -0.0684049  -0.0806542  0.0268711   54  TYR   A HE1  
2491 H HE2  . TYR   B 42  ? 0.493336 0.478522 0.865465  -0.108054   -0.0708249  0.10377     54  TYR   A HE2  
2493 N N    . VAL   B 43  ? 0.350377 0.232027 0.516611  0.00361686  -0.0946187  -0.00353091 55  VAL   A N    
2494 C CA   . VAL   B 43  ? 0.337942 0.201344 0.481601  0.0225402   -0.102697   -0.0214595  55  VAL   A CA   
2495 C C    . VAL   B 43  ? 0.378188 0.220189 0.535729  0.0205706   -0.109519   -0.0111284  55  VAL   A C    
2496 O O    . VAL   B 43  ? 0.373739 0.218277 0.5445    0.00543391  -0.103082   0.0149678   55  VAL   A O    
2497 C CB   . VAL   B 43  ? 0.325981 0.202699 0.424275  0.0344141   -0.086218   -0.0238851  55  VAL   A CB   
2498 C CG1  . VAL   B 43  ? 0.326454 0.220334 0.412603  0.0384447   -0.0812734  -0.0325254  55  VAL   A CG1  
2499 C CG2  . VAL   B 43  ? 0.321237 0.206791 0.40635   0.025738    -0.0694741  -0.00149077 55  VAL   A CG2  
2500 H H    . VAL   B 43  ? 0.33359  0.222439 0.499045  -0.00539191 -0.0845478  0.0141776   55  VAL   A H    
2501 H HA   . VAL   B 43  ? 0.357253 0.214284 0.507824  0.0297692   -0.115391   -0.0393737  55  VAL   A HA   
2502 H HB   . VAL   B 43  ? 0.335445 0.203302 0.421532  0.0469384   -0.0916231  -0.0361237  55  VAL   A HB   
2503 H HG11 . VAL   B 43  ? 0.315133 0.220922 0.410991  0.0278896   -0.0736139  -0.0216486  55  VAL   A HG11 
2504 H HG12 . VAL   B 43  ? 0.333256 0.223194 0.429628  0.0431747   -0.0938299  -0.0460154  55  VAL   A HG12 
2505 H HG13 . VAL   B 43  ? 0.316643 0.214477 0.376351  0.0472121   -0.0737262  -0.0353417  55  VAL   A HG13 
2506 H HG21 . VAL   B 43  ? 0.307836 0.203059 0.369445  0.0307237   -0.0593797  -0.00347445 55  VAL   A HG21 
2507 H HG22 . VAL   B 43  ? 0.326821 0.20145  0.413302  0.0282115   -0.0735153  0.00139921  55  VAL   A HG22 
2508 H HG23 . VAL   B 43  ? 0.31735  0.211118 0.416952  0.0130425   -0.0653425  0.0116973   55  VAL   A HG23 
2509 N N    . HIS   B 44  ? 0.375833 0.199573 0.528463  0.0379655   -0.12249    -0.0324946  56  HIS   A N    
2510 C CA   . HIS   B 44  ? 0.409606 0.217446 0.563034  0.0445021   -0.125525   -0.0272518  56  HIS   A CA   
2511 C C    . HIS   B 44  ? 0.392881 0.213695 0.504085  0.0624343   -0.113929   -0.0388003  56  HIS   A C    
2512 O O    . HIS   B 44  ? 0.408794 0.240557 0.497362  0.0732934   -0.111672   -0.0569754  56  HIS   A O    
2513 C CB   . HIS   B 44  ? 0.456966 0.233814 0.645678  0.0514648   -0.150073   -0.0438477  56  HIS   A CB   
2514 C CG   . HIS   B 44  ? 0.491398 0.250371 0.726301  0.0315738   -0.1599     -0.0206806  56  HIS   A CG   
2515 N ND1  . HIS   B 44  ? 0.503878 0.264048 0.741539  0.0202661   -0.150844   0.0129066   56  HIS   A ND1  
2516 C CD2  . HIS   B 44  ? 0.527211 0.27172  0.806036  0.0185617   -0.175752   -0.0214022  56  HIS   A CD2  
2517 C CE1  . HIS   B 44  ? 0.541605 0.287116 0.823271  0.00141912  -0.160754   0.0339283   56  HIS   A CE1  
2518 N NE2  . HIS   B 44  ? 0.532504 0.268535 0.841811  -0.00117255 -0.175205   0.0139455   56  HIS   A NE2  
2519 H H    . HIS   B 44  ? 0.389862 0.212801 0.538692  0.0470933   -0.12999    -0.0517411  56  HIS   A H    
2520 H HA   . HIS   B 44  ? 0.402592 0.21376  0.561063  0.0329403   -0.11844    -0.00458192 56  HIS   A HA   
2521 H HB2  . HIS   B 44  ? 0.464409 0.239939 0.654843  0.0580457   -0.159034   -0.0651655  56  HIS   A HB2  
2522 H HB3  . HIS   B 44  ? 0.463274 0.233913 0.643198  0.0637404   -0.15126    -0.0499324  56  HIS   A HB3  
2524 H HD2  . HIS   B 44  ? 0.528429 0.270545 0.816456  0.0216991   -0.185873   -0.0415076  56  HIS   A HD2  
2525 H HE1  . HIS   B 44  ? 0.538414 0.282568 0.829633  -0.00887331 -0.157841   0.0599704   56  HIS   A HE1  
2527 N N    . TYR   B 45  ? 0.3773   0.200244 0.478489  0.0641049   -0.105842   -0.0249669  57  TYR   A N    
2528 C CA   . TYR   B 45  ? 0.348171 0.187516 0.414122  0.0778442   -0.0929842  -0.0322458  57  TYR   A CA   
2529 C C    . TYR   B 45  ? 0.368488 0.203469 0.439452  0.0837872   -0.0939818  -0.0240774  57  TYR   A C    
2530 O O    . TYR   B 45  ? 0.374375 0.197211 0.4688    0.074307    -0.100692   -0.00551072 57  TYR   A O    
2531 C CB   . TYR   B 45  ? 0.331267 0.194244 0.368817  0.0697476   -0.0728817  -0.0202747  57  TYR   A CB   
2532 C CG   . TYR   B 45  ? 0.31104  0.182526 0.349258  0.0546136   -0.0632294  0.00548911  57  TYR   A CG   
2533 C CD1  . TYR   B 45  ? 0.335637 0.207785 0.391495  0.0371044   -0.0632901  0.0233129   57  TYR   A CD1  
2534 C CD2  . TYR   B 45  ? 0.314709 0.194411 0.340744  0.0583457   -0.0569379  0.0126964   57  TYR   A CD2  
2535 C CE1  . TYR   B 45  ? 0.322987 0.205652 0.377233  0.0248838   -0.0561291  0.047095    57  TYR   A CE1  
2536 C CE2  . TYR   B 45  ? 0.314399 0.202575 0.341135  0.0462086   -0.0522403  0.0349383   57  TYR   A CE2  
2537 C CZ   . TYR   B 45  ? 0.348148 0.238593 0.386051  0.0296572   -0.0514171  0.0526129   57  TYR   A CZ   
2538 O OH   . TYR   B 45  ? 0.313021 0.217889 0.34535   0.0182823   -0.0457666  0.0752027   57  TYR   A OH   
2539 H H    . TYR   B 45  ? 0.382221 0.197587 0.499776  0.056295    -0.108624   -0.00983024 57  TYR   A H    
2540 H HA   . TYR   B 45  ? 0.363624 0.20237  0.422107  0.0905088   -0.097663   -0.0519231  57  TYR   A HA   
2541 H HB2  . TYR   B 45  ? 0.323049 0.194494 0.34114   0.0795902   -0.0667897  -0.0278685  57  TYR   A HB2  
2542 H HB3  . TYR   B 45  ? 0.323482 0.189225 0.361739  0.0654746   -0.0727688  -0.0231715  57  TYR   A HB3  
2543 H HD1  . TYR   B 45  ? 0.331054 0.199163 0.40005   0.0334138   -0.0681478  0.0193813   57  TYR   A HD1  
2544 H HD2  . TYR   B 45  ? 0.314222 0.196104 0.331443  0.0697607   -0.0561906  0.00210991  57  TYR   A HD2  
2545 H HE1  . TYR   B 45  ? 0.333573 0.220987 0.397592  0.0132215   -0.0543517  0.0595539   57  TYR   A HE1  
2546 H HE2  . TYR   B 45  ? 0.317455 0.213302 0.335865  0.049187    -0.0489115  0.0381395   57  TYR   A HE2  
2548 N N    . LYS   B 46  ? 0.364521 0.213017 0.413093  0.0994548   -0.0864991  -0.0363638  58  LYS   A N    
2549 C CA   . LYS   B 46  ? 0.386416 0.241828 0.43452   0.1061      -0.0829889  -0.0293617  58  LYS   A CA   
2550 C C    . LYS   B 46  ? 0.39971  0.282266 0.416578  0.108854    -0.0645038  -0.0296025  58  LYS   A C    
2551 O O    . LYS   B 46  ? 0.376043 0.268552 0.372319  0.114045    -0.0574509  -0.0413954  58  LYS   A O    
2552 C CB   . LYS   B 46  ? 0.451036 0.298137 0.513825  0.127483    -0.0942947  -0.0482145  58  LYS   A CB   
2553 C CG   . LYS   B 46  ? 0.467136 0.29674  0.543189  0.140348    -0.109647   -0.0746904  58  LYS   A CG   
2554 C CD   . LYS   B 46  ? 0.510872 0.32365  0.615261  0.157434    -0.125107   -0.0876936  58  LYS   A CD   
2555 C CE   . LYS   B 46  ? 0.542093 0.352342 0.644886  0.178985    -0.134492   -0.12504    58  LYS   A CE   
2556 N NZ   . LYS   B 46  ? 0.533018 0.3246   0.667522  0.197257    -0.150982   -0.141605   58  LYS   A NZ   
2557 H H    . LYS   B 46  ? 0.367613 0.223346 0.401218  0.106401    -0.0834429  -0.0492682  58  LYS   A H    
2558 H HA   . LYS   B 46  ? 0.392687 0.245295 0.450138  0.0950852   -0.0834562  -0.0107318  58  LYS   A HA   
2559 H HB2  . LYS   B 46  ? 0.432333 0.297449 0.47916   0.136259    -0.0849324  -0.0538004  58  LYS   A HB2  
2560 H HB3  . LYS   B 46  ? 0.445594 0.283928 0.526055  0.125005    -0.100363   -0.0363112  58  LYS   A HB3  
2561 H HG2  . LYS   B 46  ? 0.475198 0.291155 0.56335   0.12954     -0.116618   -0.070503   58  LYS   A HG2  
2562 H HG3  . LYS   B 46  ? 0.470726 0.313793 0.526334  0.149172    -0.103848   -0.0895606  58  LYS   A HG3  
2563 H HD2  . LYS   B 46  ? 0.504031 0.330034 0.603944  0.162924    -0.118189   -0.0819568  58  LYS   A HD2  
2564 H HD3  . LYS   B 46  ? 0.519586 0.310874 0.649466  0.149171    -0.136471   -0.0771096  58  LYS   A HD3  
2565 H HE2  . LYS   B 46  ? 0.536977 0.33598  0.643948  0.173439    -0.142202   -0.131762   58  LYS   A HE2  
2566 H HE3  . LYS   B 46  ? 0.522554 0.356346 0.59938   0.187488    -0.122493   -0.133198   58  LYS   A HE3  
2567 H HZ1  . LYS   B 46  ? 0.555526 0.322707 0.71606   0.189407    -0.163546   -0.134198   58  LYS   A HZ1  
2568 H HZ2  . LYS   B 46  ? 0.539161 0.341769 0.672861  0.202044    -0.144615   -0.133949   58  LYS   A HZ2  
2569 H HZ3  . LYS   B 46  ? 0.560193 0.354005 0.690819  0.21229     -0.155703   -0.167394   58  LYS   A HZ3  
2570 N N    . GLY   B 47  ? 0.357171 0.252341 0.371996  0.103478    -0.0572881  -0.0134543  59  GLY   A N    
2571 C CA   . GLY   B 47  ? 0.34759  0.266975 0.339131  0.101518    -0.0405796  -0.0107782  59  GLY   A CA   
2572 C C    . GLY   B 47  ? 0.340059 0.274849 0.337442  0.105477    -0.0382048  -0.00402148 59  GLY   A C    
2573 O O    . GLY   B 47  ? 0.348251 0.274492 0.365188  0.106202    -0.0492423  0.00442301  59  GLY   A O    
2574 H H    . GLY   B 47  ? 0.372031 0.260786 0.401085  0.100806    -0.0635967  -0.00379355 59  GLY   A H    
2575 H HA2  . GLY   B 47  ? 0.345875 0.27054  0.326498  0.109999    -0.0366899  -0.0227878  59  GLY   A HA2  
2576 H HA3  . GLY   B 47  ? 0.333855 0.25563  0.318059  0.0891249   -0.0350513  -0.00140024 59  GLY   A HA3  
2577 N N    . LYS   B 48  ? 0.29325  0.251407 0.276382  0.106844    -0.0244904  -0.00537829 60  LYS   A N    
2578 C CA   . LYS   B 48  ? 0.2847   0.263058 0.276372  0.110721    -0.0217469  -0.00099856 60  LYS   A CA   
2579 C C    . LYS   B 48  ? 0.280617 0.282026 0.258253  0.102335    -0.0058092  0.00321465  60  LYS   A C    
2580 O O    . LYS   B 48  ? 0.299505 0.300429 0.260422  0.0992437   0.00337075  0.00018724  60  LYS   A O    
2581 C CB   . LYS   B 48  ? 0.316799 0.302209 0.323273  0.132328    -0.0264492  -0.015142   60  LYS   A CB   
2582 C CG   . LYS   B 48  ? 0.344983 0.34335  0.33667   0.145726    -0.0165992  -0.032364   60  LYS   A CG   
2583 C CD   . LYS   B 48  ? 0.397391 0.408409 0.404257  0.169079    -0.0201249  -0.0492131  60  LYS   A CD   
2584 C CE   . LYS   B 48  ? 0.451901 0.483496 0.44073   0.183979    -0.00898662 -0.0660826  60  LYS   A CE   
2585 N NZ   . LYS   B 48  ? 0.494207 0.548454 0.497444  0.207153    -0.00824612 -0.0829111  60  LYS   A NZ   
2586 H H    . LYS   B 48  ? 0.294798 0.256573 0.264496  0.104917    -0.0171461  -0.00838912 60  LYS   A H    
2587 H HA   . LYS   B 48  ? 0.291513 0.266387 0.291274  0.103695    -0.0277113  0.0100608   60  LYS   A HA   
2588 H HB2  . LYS   B 48  ? 0.31514  0.316168 0.330215  0.133356    -0.0249178  -0.010106   60  LYS   A HB2  
2589 H HB3  . LYS   B 48  ? 0.33121  0.298711 0.350253  0.137486    -0.0383096  -0.0182113  60  LYS   A HB3  
2590 H HG2  . LYS   B 48  ? 0.351134 0.334748 0.334663  0.145793    -0.0199802  -0.0383691  60  LYS   A HG2  
2591 H HG3  . LYS   B 48  ? 0.336979 0.351924 0.317989  0.139598    -0.00475123 -0.0267104  60  LYS   A HG3  
2592 H HD2  . LYS   B 48  ? 0.393461 0.420284 0.411414  0.168997    -0.0175834  -0.0426525  60  LYS   A HD2  
2593 H HD3  . LYS   B 48  ? 0.410356 0.401541 0.430265  0.175297    -0.0332754  -0.0556298  60  LYS   A HD3  
2594 H HE2  . LYS   B 48  ? 0.454858 0.471137 0.434689  0.186946    -0.0145155  -0.0753359  60  LYS   A HE2  
2595 H HE3  . LYS   B 48  ? 0.436081 0.483365 0.411927  0.175646    0.00361454  -0.0568734  60  LYS   A HE3  
2596 H HZ1  . LYS   B 48  ? 0.497688 0.535231 0.51548   0.215517    -0.0209917  -0.0920574  60  LYS   A HZ1  
2597 H HZ2  . LYS   B 48  ? 0.478083 0.549718 0.490919  0.204542    -0.00271108 -0.0743546  60  LYS   A HZ2  
2598 H HZ3  . LYS   B 48  ? 0.494704 0.563705 0.483951  0.216354    -0.00083318 -0.093138   60  LYS   A HZ3  
2599 N N    . LEU   B 49  ? 0.275495 0.295726 0.262579  0.097319    -0.00441854 0.0117185   61  LEU   A N    
2600 C CA   . LEU   B 49  ? 0.306148 0.350618 0.28952   0.0909333   0.00915729  0.0139315   61  LEU   A CA   
2601 C C    . LEU   B 49  ? 0.393845 0.455361 0.379565  0.107853    0.0169819   0.00365238  61  LEU   A C    
2602 O O    . LEU   B 49  ? 0.37413  0.43664  0.371636  0.124983    0.00979263  -0.00577189 61  LEU   A O    
2603 C CB   . LEU   B 49  ? 0.333612 0.397387 0.330473  0.0818164   0.00627061  0.0229304   61  LEU   A CB   
2604 C CG   . LEU   B 49  ? 0.341856 0.39424  0.332173  0.0672646   -0.00192749 0.0321937   61  LEU   A CG   
2605 C CD1  . LEU   B 49  ? 0.424331 0.498163 0.425094  0.0600395   -0.00839383 0.0397137   61  LEU   A CD1  
2606 C CD2  . LEU   B 49  ? 0.34267  0.382822 0.314457  0.0547954   0.00632611  0.0309089   61  LEU   A CD2  
2607 H H    . LEU   B 49  ? 0.288055 0.306424 0.285669  0.0975362   -0.0127524  0.0168229   61  LEU   A H    
2608 H HA   . LEU   B 49  ? 0.311254 0.349232 0.28236   0.0823554   0.0146998   0.0154837   61  LEU   A HA   
2609 H HB2  . LEU   B 49  ? 0.335068 0.406893 0.345743  0.0916089   0.00073733  0.0217583   61  LEU   A HB2  
2610 H HB3  . LEU   B 49  ? 0.323498 0.401901 0.320752  0.0761486   0.0149443   0.0236787   61  LEU   A HB3  
2611 H HG   . LEU   B 49  ? 0.359936 0.398068 0.351755  0.0719508   -0.00992793 0.0339943   61  LEU   A HG   
2612 H HD11 . LEU   B 49  ? 0.402697 0.482666 0.416731  0.0694677   -0.015011   0.0411856   61  LEU   A HD11 
2613 H HD12 . LEU   B 49  ? 0.398757 0.46705  0.391333  0.0518353   -0.0130387  0.0451452   61  LEU   A HD12 
2614 H HD13 . LEU   B 49  ? 0.392215 0.480394 0.395547  0.0544891   -0.0018463  0.0374714   61  LEU   A HD13 
2615 H HD21 . LEU   B 49  ? 0.342296 0.366709 0.308243  0.0584938   0.00514238  0.0286905   61  LEU   A HD21 
2616 H HD22 . LEU   B 49  ? 0.337343 0.384773 0.308194  0.0533894   0.0147719   0.0281414   61  LEU   A HD22 
2617 H HD23 . LEU   B 49  ? 0.340091 0.381937 0.308243  0.0449879   0.00384244  0.0349562   61  LEU   A HD23 
2618 N N    . SER   B 50  ? 0.421187 0.496605 0.395952  0.10431     0.0317382   0.00526752  62  SER   A N    
2619 C CA   . SER   B 50  ? 0.491695 0.591497 0.466191  0.120651    0.0415894   -0.0023871  62  SER   A CA   
2620 C C    . SER   B 50  ? 0.526509 0.656646 0.527321  0.127523    0.0421916   -0.0028744  62  SER   A C    
2621 O O    . SER   B 50  ? 0.608573 0.757512 0.615836  0.146861    0.0449462   -0.014309   62  SER   A O    
2622 C CB   . SER   B 50  ? 0.485339 0.59663  0.444537  0.113416    0.0577533   0.0058938   62  SER   A CB   
2623 O OG   . SER   B 50  ? 0.491408 0.616345 0.466019  0.0959443   0.0634645   0.0186394   62  SER   A OG   
2624 H H    . SER   B 50  ? 0.418308 0.489192 0.386358  0.0925457   0.0357497   0.011328    62  SER   A H    
2625 H HA   . SER   B 50  ? 0.491846 0.58166  0.460393  0.132951    0.0363019   -0.0128952  62  SER   A HA   
2626 H HB2  . SER   B 50  ? 0.501208 0.630889 0.456623  0.124703    0.0651599   0.00189964  62  SER   A HB2  
2627 H HB3  . SER   B 50  ? 0.490819 0.582716 0.435838  0.109328    0.0557988   0.00668508  62  SER   A HB3  
2629 N N    . ASN   B 51  ? 0.63321  0.771416 0.649754  0.112353    0.0394197   0.00798911  63  ASN   A N    
2630 C CA   . ASN   B 51  ? 0.66749  0.829067 0.712157  0.117514    0.0329685   0.00855008  63  ASN   A CA   
2631 C C    . ASN   B 51  ? 0.704568 0.852887 0.758207  0.138176    0.0188223   -0.00214237 63  ASN   A C    
2632 O O    . ASN   B 51  ? 0.904009 1.07379  0.972708  0.157622    0.0212387   -0.012964   63  ASN   A O    
2633 C CB   . ASN   B 51  ? 0.519843 0.680857 0.572771  0.0984584   0.0245019   0.0195898   63  ASN   A CB   
2634 H H    . ASN   B 51  ? 0.599367 0.728934 0.609039  0.0984816   0.0408996   0.0145974   63  ASN   A H    
2635 H HA   . ASN   B 51  ? 0.639032 0.828032 0.693437  0.120988    0.0430608   0.00813973  63  ASN   A HA   
2638 N N    . GLY   B 52  ? 0.7547   0.867013 0.799595  0.134517    0.00506597  -6.281e-05  64  GLY   A N    
2639 C CA   . GLY   B 52  ? 0.677683 0.76878  0.735452  0.149872    -0.0115446  -0.00640431 64  GLY   A CA   
2640 C C    . GLY   B 52  ? 0.5972   0.688211 0.674133  0.145422    -0.0264603  0.00752684  64  GLY   A C    
2641 O O    . GLY   B 52  ? 0.574063 0.653735 0.670772  0.15937     -0.0411092  0.00611017  64  GLY   A O    
2642 H H    . GLY   B 52  ? 0.702566 0.802729 0.734484  0.121319    0.00615649  0.00612104  64  GLY   A H    
2643 H HA2  . GLY   B 52  ? 0.681144 0.747511 0.727305  0.147339    -0.0154905  -0.00792763 64  GLY   A HA2  
2644 H HA3  . GLY   B 52  ? 0.688936 0.790877 0.755612  0.16628     -0.00985289 -0.0183157  64  GLY   A HA3  
2645 N N    . LYS   B 53  ? 0.541496 0.644575 0.612841  0.126259    -0.0244953  0.0211981   65  LYS   A N    
2646 C CA   . LYS   B 53  ? 0.525698 0.629536 0.607376  0.120729    -0.0398207  0.0359437   65  LYS   A CA   
2647 C C    . LYS   B 53  ? 0.476342 0.545185 0.545658  0.113354    -0.0510933  0.0472335   65  LYS   A C    
2648 O O    . LYS   B 53  ? 0.443144 0.508265 0.521481  0.112823    -0.0659724  0.0622101   65  LYS   A O    
2649 C CB   . LYS   B 53  ? 0.530906 0.665213 0.611868  0.104656    -0.0343247  0.0416996   65  LYS   A CB   
2650 H H    . LYS   B 53  ? 0.540338 0.651474 0.600962  0.116742    -0.0141201  0.0211471   65  LYS   A H    
2651 H HA   . LYS   B 53  ? 0.530883 0.642155 0.632645  0.134351    -0.0470611  0.0341471   65  LYS   A HA   
2654 N N    . LYS   B 54  ? 0.382074 0.426744 0.433292  0.108146    -0.0450995  0.0423576   66  LYS   A N    
2655 C CA   . LYS   B 54  ? 0.357971 0.377043 0.399049  0.0971225   -0.0521466  0.0544103   66  LYS   A CA   
2656 C C    . LYS   B 54  ? 0.400488 0.394106 0.437656  0.10287     -0.0496963  0.0415155   66  LYS   A C    
2657 O O    . LYS   B 54  ? 0.374051 0.374008 0.398314  0.104428    -0.0368736  0.0278744   66  LYS   A O    
2658 C CB   . LYS   B 54  ? 0.325742 0.353787 0.343347  0.0763892   -0.0438326  0.0618009   66  LYS   A CB   
2659 H H    . LYS   B 54  ? 0.390205 0.436927 0.435874  0.111556    -0.0359553  0.0317173   66  LYS   A H    
2660 H HA   . LYS   B 54  ? 0.380059 0.393209 0.433258  0.100285    -0.0639763  0.0647082   66  LYS   A HA   
2663 N N    . PHE   B 55  ? 0.384979 0.351558 0.433179  0.103674    -0.0625432  0.0484274   67  PHE   A N    
2664 C CA   . PHE   B 55  ? 0.420625 0.360522 0.473511  0.109534    -0.0665505  0.0359927   67  PHE   A CA   
2665 C C    . PHE   B 55  ? 0.427213 0.347794 0.480762  0.0931446   -0.0725874  0.0539371   67  PHE   A C    
2666 O O    . PHE   B 55  ? 0.450315 0.370055 0.512164  0.0862949   -0.0808596  0.0759316   67  PHE   A O    
2667 C CB   . PHE   B 55  ? 0.448835 0.377102 0.528529  0.131757    -0.0793394  0.02262     67  PHE   A CB   
2668 C CG   . PHE   B 55  ? 0.511092 0.415859 0.596207  0.142123    -0.0847512  0.00064981  67  PHE   A CG   
2669 C CD1  . PHE   B 55  ? 0.64252  0.513461 0.747053  0.13745     -0.100247   0.00570853  67  PHE   A CD1  
2670 C CD2  . PHE   B 55  ? 0.610495 0.529037 0.683465  0.15698     -0.0756981  -0.0249131  67  PHE   A CD2  
2671 C CE1  . PHE   B 55  ? 0.661527 0.511609 0.773696  0.146161    -0.10792    -0.017396   67  PHE   A CE1  
2672 C CE2  . PHE   B 55  ? 0.657818 0.557921 0.733657  0.168314    -0.0831504  -0.0481426  67  PHE   A CE2  
2673 C CZ   . PHE   B 55  ? 0.710494 0.575369 0.807404  0.163033    -0.100512   -0.0460938  67  PHE   A CZ   
2674 H H    . PHE   B 55  ? 0.405467 0.370604 0.460074  0.0996744   -0.0702831  0.0627656   67  PHE   A H    
2675 H HA   . PHE   B 55  ? 0.406071 0.351323 0.444934  0.109723    -0.0567983  0.0244946   67  PHE   A HA   
2676 H HB2  . PHE   B 55  ? 0.454884 0.402752 0.534766  0.140981    -0.0739832  0.0148261   67  PHE   A HB2  
2677 H HB3  . PHE   B 55  ? 0.470346 0.38865  0.566053  0.131275    -0.0905804  0.0356981   67  PHE   A HB3  
2678 H HD1  . PHE   B 55  ? 0.617692 0.481419 0.729599  0.126815    -0.105333   0.0256473   67  PHE   A HD1  
2679 H HD2  . PHE   B 55  ? 0.577348 0.519373 0.640434  0.159469    -0.0649329  -0.0264642  67  PHE   A HD2  
2680 H HE1  . PHE   B 55  ? 0.683691 0.510921 0.812881  0.141425    -0.119104   -0.0135857  67  PHE   A HE1  
2681 H HE2  . PHE   B 55  ? 0.657931 0.570676 0.721995  0.178854    -0.0767645  -0.0646861  67  PHE   A HE2  
2682 H HZ   . PHE   B 55  ? 0.697803 0.550674 0.79805   0.169864    -0.106903   -0.0633007  67  PHE   A HZ   
2683 N N    . ASP   B 56  ? 0.366701 0.272863 0.41505   0.0884722   -0.070074   0.0454394   68  ASP   A N    
2684 C CA   . ASP   B 56  ? 0.421675 0.315677 0.47309   0.0717285   -0.0729314  0.0621616   68  ASP   A CA   
2685 C C    . ASP   B 56  ? 0.460103 0.330559 0.524734  0.0751009   -0.0798219  0.0472634   68  ASP   A C    
2686 O O    . ASP   B 56  ? 0.401246 0.274368 0.454813  0.0844222   -0.0748793  0.0250188   68  ASP   A O    
2687 C CB   . ASP   B 56  ? 0.386769 0.300756 0.412183  0.0558985   -0.0575336  0.0685008   68  ASP   A CB   
2688 C CG   . ASP   B 56  ? 0.386569 0.295462 0.414334  0.0393816   -0.0564658  0.082421    68  ASP   A CG   
2689 O OD1  . ASP   B 56  ? 0.420105 0.317453 0.466905  0.0337446   -0.0667137  0.101161    68  ASP   A OD1  
2690 O OD2  . ASP   B 56  ? 0.359138 0.276681 0.372679  0.0324313   -0.0455773  0.076094    68  ASP   A OD2  
2691 H H    . ASP   B 56  ? 0.38756  0.293823 0.430784  0.0959529   -0.0663895  0.0293299   68  ASP   A H    
2692 H HA   . ASP   B 56  ? 0.426729 0.315345 0.490751  0.0689827   -0.0812252  0.078166    68  ASP   A HA   
2693 H HB2  . ASP   B 56  ? 0.386034 0.314939 0.403991  0.0528445   -0.0549827  0.0772359   68  ASP   A HB2  
2694 H HB3  . ASP   B 56  ? 0.378091 0.296898 0.392316  0.0596991   -0.0500256  0.0541998   68  ASP   A HB3  
2695 N N    . SER   B 57  ? 0.495946 0.346711 0.583179  0.0650631   -0.0906558  0.06214     69  SER   A N    
2696 C CA   . SER   B 57  ? 0.56103  0.390086 0.666148  0.0655733   -0.0995701  0.0479899   69  SER   A CA   
2697 C C    . SER   B 57  ? 0.574797 0.397095 0.696759  0.0444986   -0.102021   0.0719886   69  SER   A C    
2698 O O    . SER   B 57  ? 0.553761 0.37386  0.687703  0.0352655   -0.106221   0.100132    69  SER   A O    
2699 C CB   . SER   B 57  ? 0.668819 0.47181  0.802361  0.0834209   -0.118172   0.0314429   69  SER   A CB   
2700 O OG   . SER   B 57  ? 0.748417 0.533622 0.895658  0.0862502   -0.127651   0.00961654  69  SER   A OG   
2701 H H    . SER   B 57  ? 0.508545 0.360554 0.600922  0.0574067   -0.0929296  0.0818312   69  SER   A H    
2702 H HA   . SER   B 57  ? 0.546143 0.383561 0.635313  0.0683393   -0.0922534  0.0328557   69  SER   A HA   
2703 H HB2  . SER   B 57  ? 0.659053 0.471316 0.782566  0.0969549   -0.115133   0.0189822   69  SER   A HB2  
2704 H HB3  . SER   B 57  ? 0.679039 0.469468 0.832738  0.0798949   -0.127284   0.0478303   69  SER   A HB3  
2706 N N    . SER   B 58  ? 0.508876 0.329236 0.634191  0.0381863   -0.100603   0.0611467   70  SER   A N    
2707 C CA   . SER   B 58  ? 0.504665 0.3169   0.657231  0.0197377   -0.105635   0.079274    70  SER   A CA   
2708 C C    . SER   B 58  ? 0.560505 0.337543 0.7564    0.021954    -0.128079   0.0811958   70  SER   A C    
2709 O O    . SER   B 58  ? 0.582677 0.351006 0.806826  0.00494071  -0.133527   0.107003    70  SER   A O    
2710 C CB   . SER   B 58  ? 0.464464 0.283337 0.616366  0.0153822   -0.101898   0.06294     70  SER   A CB   
2711 O OG   . SER   B 58  ? 0.45745  0.258038 0.617146  0.0319552   -0.115459   0.0311056   70  SER   A OG   
2712 H H    . SER   B 58  ? 0.508049 0.333968 0.619468  0.0453596   -0.0964442  0.0429836   70  SER   A H    
2713 H HA   . SER   B 58  ? 0.504217 0.330267 0.650429  0.00843942  -0.0977623  0.101643    70  SER   A HA   
2714 H HB2  . SER   B 58  ? 0.474382 0.291762 0.646817  0.00192931  -0.104077   0.0761617   70  SER   A HB2  
2715 H HB3  . SER   B 58  ? 0.447342 0.285913 0.573952  0.0152197   -0.0886418  0.0605811   70  SER   A HB3  
2717 N N    . HIS   B 59  ? 0.597052 0.354427 0.800709  0.0428043   -0.141189   0.0535912   71  HIS   A N    
2718 C CA   . HIS   B 59  ? 0.731996 0.452227 0.980453  0.0473809   -0.164589   0.0533308   71  HIS   A CA   
2719 C C    . HIS   B 59  ? 0.705414 0.419605 0.967302  0.0405122   -0.167833   0.090633    71  HIS   A C    
2720 O O    . HIS   B 59  ? 0.878189 0.56391  1.18193   0.0318306   -0.18413    0.109141    71  HIS   A O    
2721 C CB   . HIS   B 59  ? 0.789429 0.495232 1.04015   0.0747654   -0.176442   0.0142483   71  HIS   A CB   
2722 C CG   . HIS   B 59  ? 0.889607 0.601312 1.12749   0.0817477   -0.176486   -0.0201869  71  HIS   A CG   
2723 N ND1  . HIS   B 59  ? 0.88672  0.587969 1.14809   0.0674545   -0.185371   -0.0230954  71  HIS   A ND1  
2724 C CD2  . HIS   B 59  ? 0.86284  0.592355 1.06793   0.100691    -0.169366   -0.0506091  71  HIS   A CD2  
2725 C CE1  . HIS   B 59  ? 0.852665 0.564265 1.09478   0.0788009   -0.185582   -0.055823   71  HIS   A CE1  
2726 N NE2  . HIS   B 59  ? 0.919478 0.648435 1.12526   0.0988748   -0.175194   -0.0714983  71  HIS   A NE2  
2727 H H    . HIS   B 59  ? 0.599595 0.366773 0.781992  0.0545549   -0.135776   0.0346716   71  HIS   A H    
2728 H HA   . HIS   B 59  ? 0.720392 0.429312 0.991894  0.0366488   -0.171649   0.054768    71  HIS   A HA   
2729 H HB2  . HIS   B 59  ? 0.790642 0.511021 1.02001   0.0850242   -0.168244   0.0127073   71  HIS   A HB2  
2730 H HB3  . HIS   B 59  ? 0.828136 0.507606 1.11118   0.0782628   -0.192837   0.0134781   71  HIS   A HB3  
2732 H HD2  . HIS   B 59  ? 0.869946 0.612002 1.05597   0.112518    -0.161878   -0.0556427  71  HIS   A HD2  
2733 H HE1  . HIS   B 59  ? 0.879924 0.589197 1.1327    0.0731548   -0.19192    -0.0649703  71  HIS   A HE1  
2735 N N    . ASP   B 60  ? 0.787874 0.529705 1.01547   0.043142    -0.153208   0.103468    72  ASP   A N    
2736 C CA   . ASP   B 60  ? 0.834294 0.578484 1.06671   0.0371848   -0.155697   0.140045    72  ASP   A CA   
2737 C C    . ASP   B 60  ? 0.840405 0.585768 1.0878    0.0107158   -0.153896   0.178008    72  ASP   A C    
2738 O O    . ASP   B 60  ? 0.796172 0.532612 1.06111   0.00424486  -0.162494   0.212049    72  ASP   A O    
2739 C CB   . ASP   B 60  ? 0.76805  0.54531  0.960964  0.0453631   -0.141743   0.140271    72  ASP   A CB   
2740 H H    . ASP   B 60  ? 0.743237 0.503406 0.944089  0.0490504   -0.142267   0.0888093   72  ASP   A H    
2741 H HA   . ASP   B 60  ? 0.840533 0.561521 1.09807   0.0472117   -0.170687   0.138145    72  ASP   A HA   
2744 N N    . ARG   B 61  ? 0.839276 0.597954 1.08176   -0.00424454 -0.142845   0.174441    73  ARG   A N    
2745 C CA   . ARG   B 61  ? 0.796792 0.564809 1.05479   -0.0298519  -0.137696   0.209339    73  ARG   A CA   
2746 C C    . ARG   B 61  ? 0.737114 0.473539 1.04716   -0.0393802  -0.153797   0.205902    73  ARG   A C    
2747 O O    . ARG   B 61  ? 0.700266 0.441637 1.03465   -0.0619396  -0.151625   0.235673    73  ARG   A O    
2748 C CB   . ARG   B 61  ? 0.785433 0.598093 1.00231   -0.0391136  -0.112483   0.20893     73  ARG   A CB   
2749 H H    . ARG   B 61  ? 0.800776 0.565738 1.02958   0.00208722  -0.137603   0.149849    73  ARG   A H    
2750 H HA   . ARG   B 61  ? 0.811163 0.579082 1.07295   -0.0344041  -0.140557   0.237244    73  ARG   A HA   
2753 N N    . ASN   B 62  ? 0.684551 0.391882 1.01269   -0.0226907  -0.169758   0.167558    74  ASN   A N    
2754 C CA   . ASN   B 62  ? 0.700376 0.377905 1.07743   -0.0294258  -0.18789    0.154723    74  ASN   A CA   
2755 C C    . ASN   B 62  ? 0.703524 0.405855 1.08082   -0.0464962  -0.176348   0.151229    74  ASN   A C    
2756 O O    . ASN   B 62  ? 0.770766 0.455246 1.1929    -0.0581345  -0.190066   0.148162    74  ASN   A O    
2757 C CB   . ASN   B 62  ? 0.725278 0.367806 1.1548    -0.0410057  -0.206788   0.18883     74  ASN   A CB   
2758 H H    . ASN   B 62  ? 0.689238 0.397057 0.998434  -0.00616019 -0.169575   0.147582    74  ASN   A H    
2759 H HA   . ASN   B 62  ? 0.703312 0.365736 1.08133   -0.0125833  -0.197642   0.122983    74  ASN   A HA   
2762 N N    . GLU   B 63  ? 0.661216 0.405154 0.993095  -0.0482713  -0.152228   0.150776    75  GLU   A N    
2763 C CA   . GLU   B 63  ? 0.645669 0.417468 0.983392  -0.066448   -0.139821   0.15689     75  GLU   A CA   
2764 C C    . GLU   B 63  ? 0.531862 0.331612 0.822559  -0.053276   -0.12391    0.12811     75  GLU   A C    
2765 O O    . GLU   B 63  ? 0.510132 0.318251 0.760255  -0.0390725  -0.114965   0.121404    75  GLU   A O    
2766 C CB   . GLU   B 63  ? 0.691713 0.490909 1.03452   -0.0905505  -0.124374   0.203377    75  GLU   A CB   
2767 C CG   . GLU   B 63  ? 0.734793 0.577181 1.02329   -0.0889282  -0.0985622  0.211203    75  GLU   A CG   
2768 C CD   . GLU   B 63  ? 0.810457 0.688139 1.08513   -0.106064   -0.0807233  0.253081    75  GLU   A CD   
2769 O OE1  . GLU   B 63  ? 0.786566 0.70045  1.01768   -0.102647   -0.0608823  0.248292    75  GLU   A OE1  
2770 O OE2  . GLU   B 63  ? 0.855868 0.726381 1.16057   -0.121835   -0.0865311  0.290266    75  GLU   A OE2  
2771 H H    . GLU   B 63  ? 0.647147 0.402155 0.946778  -0.0376228  -0.144045   0.145495    75  GLU   A H    
2772 H HA   . GLU   B 63  ? 0.649087 0.404589 1.02035   -0.0705606  -0.152911   0.146648    75  GLU   A HA   
2773 H HB2  . GLU   B 63  ? 0.700405 0.506849 1.06878   -0.103905   -0.123912   0.207768    75  GLU   A HB2  
2774 H HB3  . GLU   B 63  ? 0.720353 0.502782 1.07982   -0.0946337  -0.132554   0.225285    75  GLU   A HB3  
2775 H HG2  . GLU   B 63  ? 0.721672 0.557045 0.986     -0.0742562  -0.100073   0.199524    75  GLU   A HG2  
2776 H HG3  . GLU   B 63  ? 0.710054 0.568328 0.988357  -0.0870576  -0.0907495  0.192887    75  GLU   A HG3  
2777 N N    . PRO   B 64  ? 0.503576 0.317033 0.802208  -0.0572302  -0.121857   0.110786    76  PRO   A N    
2778 C CA   . PRO   B 64  ? 0.457984 0.291063 0.716003  -0.0423734  -0.11078    0.0834891   76  PRO   A CA   
2779 C C    . PRO   B 64  ? 0.409715 0.276487 0.628986  -0.0458123  -0.0860785  0.0998668   76  PRO   A C    
2780 O O    . PRO   B 64  ? 0.448876 0.33491  0.675513  -0.06289    -0.0752938  0.129741    76  PRO   A O    
2781 C CB   . PRO   B 64  ? 0.461598 0.301755 0.745285  -0.0476148  -0.117331   0.066652    76  PRO   A CB   
2782 C CG   . PRO   B 64  ? 0.537126 0.354732 0.878235  -0.063259   -0.135894   0.0783005   76  PRO   A CG   
2783 C CD   . PRO   B 64  ? 0.525995 0.337685 0.874573  -0.0752849  -0.131092   0.116271    76  PRO   A CD   
2784 H HA   . PRO   B 64  ? 0.456957 0.275787 0.700967  -0.0268114  -0.117454   0.0651034   76  PRO   A HA   
2785 H HB2  . PRO   B 64  ? 0.455909 0.321811 0.73311   -0.0549471  -0.103681   0.0745908   76  PRO   A HB2  
2786 H HB3  . PRO   B 64  ? 0.466369 0.300157 0.738007  -0.0335384  -0.124036   0.0412381   76  PRO   A HB3  
2787 H HG2  . PRO   B 64  ? 0.518693 0.350784 0.881933  -0.0751478  -0.134484   0.0821028   76  PRO   A HG2  
2788 H HG3  . PRO   B 64  ? 0.533266 0.326614 0.885765  -0.0535865  -0.152939   0.0579348   76  PRO   A HG3  
2789 H HD2  . PRO   B 64  ? 0.526871 0.361733 0.879804  -0.0900547  -0.118388   0.13898     76  PRO   A HD2  
2790 H HD3  . PRO   B 64  ? 0.554792 0.339979 0.935228  -0.0786564  -0.146964   0.120115    76  PRO   A HD3  
2791 N N    . PHE   B 65  ? 0.369508 0.244157 0.548899  -0.02947    -0.0779068  0.079171    77  PHE   A N    
2792 C CA   . PHE   B 65  ? 0.364106 0.269317 0.508155  -0.0301622  -0.056471   0.0837133   77  PHE   A CA   
2793 C C    . PHE   B 65  ? 0.330527 0.255556 0.479537  -0.0326646  -0.0497272  0.0718061   77  PHE   A C    
2794 O O    . PHE   B 65  ? 0.335454 0.250759 0.486278  -0.021702   -0.0590152  0.048503    77  PHE   A O    
2795 C CB   . PHE   B 65  ? 0.368703 0.270586 0.475142  -0.0132649  -0.0523804  0.0695333   77  PHE   A CB   
2796 C CG   . PHE   B 65  ? 0.327121 0.255955 0.401418  -0.0139663  -0.0330811  0.0705843   77  PHE   A CG   
2797 C CD1  . PHE   B 65  ? 0.378465 0.329579 0.446686  -0.0267337  -0.0215033  0.0923834   77  PHE   A CD1  
2798 C CD2  . PHE   B 65  ? 0.328598 0.261828 0.381735  -0.00284514 -0.0272069  0.050467    77  PHE   A CD2  
2799 C CE1  . PHE   B 65  ? 0.384349 0.359684 0.424951  -0.0265463  -0.00570512 0.0889677   77  PHE   A CE1  
2800 C CE2  . PHE   B 65  ? 0.318597 0.272425 0.34872   -0.00411314 -0.0115765  0.050274    77  PHE   A CE2  
2801 C CZ   . PHE   B 65  ? 0.358673 0.333447 0.383555  -0.0155995  -0.0012044  0.0667126   77  PHE   A CZ   
2802 H H    . PHE   B 65  ? 0.379461 0.239707 0.554327  -0.017124   -0.086398   0.0608253   77  PHE   A H    
2803 H HA   . PHE   B 65  ? 0.365718 0.282541 0.510714  -0.0407199  -0.0496008  0.104935    77  PHE   A HA   
2804 H HB2  . PHE   B 65  ? 0.368355 0.260287 0.475353  -0.0117194  -0.0570865  0.0777525   77  PHE   A HB2  
2805 H HB3  . PHE   B 65  ? 0.357464 0.249247 0.461896  -0.00265057 -0.0588566  0.0506413   77  PHE   A HB3  
2806 H HD1  . PHE   B 65  ? 0.38263  0.331782 0.464621  -0.0347853  -0.0252973  0.109548    77  PHE   A HD1  
2807 H HD2  . PHE   B 65  ? 0.326105 0.247825 0.380437  0.00608141  -0.0344866  0.0368159   77  PHE   A HD2  
2808 H HE1  . PHE   B 65  ? 0.381269 0.373996 0.415685  -0.0341913  0.00160344  0.101822    77  PHE   A HE1  
2809 H HE2  . PHE   B 65  ? 0.31849  0.272383 0.336845  0.00325234  -0.00853616 0.0382511   77  PHE   A HE2  
2810 H HZ   . PHE   B 65  ? 0.344994 0.333324 0.354472  -0.0153856  0.00828063  0.063132    77  PHE   A HZ   
2811 N N    . VAL   B 66  ? 0.351724 0.307243 0.502243  -0.0457121  -0.0338518  0.0878598   78  VAL   A N    
2812 C CA   . VAL   B 66  ? 0.347532 0.326251 0.511798  -0.0491909  -0.0272485  0.0796612   78  VAL   A CA   
2813 C C    . VAL   B 66  ? 0.333328 0.337956 0.463998  -0.0440441  -0.00762137 0.075228    78  VAL   A C    
2814 O O    . VAL   B 66  ? 0.332019 0.350345 0.442269  -0.0487231  0.00403237  0.089363    78  VAL   A O    
2815 C CB   . VAL   B 66  ? 0.392738 0.390174 0.598717  -0.0694203  -0.0254099  0.100343    78  VAL   A CB   
2816 C CG1  . VAL   B 66  ? 0.370875 0.395116 0.594935  -0.0704231  -0.0197146  0.0884497   78  VAL   A CG1  
2817 C CG2  . VAL   B 66  ? 0.434441 0.402561 0.680018  -0.0776964  -0.0461726  0.108022    78  VAL   A CG2  
2818 H H    . VAL   B 66  ? 0.350469 0.314809 0.493154  -0.051832   -0.0268859  0.104093    78  VAL   A H    
2819 H HA   . VAL   B 66  ? 0.348534 0.315633 0.517015  -0.0406168  -0.0367979  0.0621646   78  VAL   A HA   
2820 H HB   . VAL   B 66  ? 0.391168 0.405328 0.58846   -0.0772286  -0.0137761  0.11841     78  VAL   A HB   
2821 H HG11 . VAL   B 66  ? 0.368391 0.37957  0.591157  -0.059696   -0.029558   0.0690326   78  VAL   A HG11 
2822 H HG12 . VAL   B 66  ? 0.365205 0.411523 0.571013  -0.0685019  -0.00492224 0.0885455   78  VAL   A HG12 
2823 H HG13 . VAL   B 66  ? 0.383602 0.41733  0.640223  -0.0833426  -0.0214614  0.100039    78  VAL   A HG13 
2824 H HG21 . VAL   B 66  ? 0.435676 0.416704 0.711704  -0.0911333  -0.0453519  0.119675    78  VAL   A HG21 
2825 H HG22 . VAL   B 66  ? 0.438126 0.393881 0.677298  -0.079298   -0.0480322  0.121172    78  VAL   A HG22 
2826 H HG23 . VAL   B 66  ? 0.427667 0.377116 0.675906  -0.0676695  -0.0589855  0.0878845   78  VAL   A HG23 
2827 N N    . PHE   B 67  ? 0.302305 0.311189 0.425066  -0.0322058  -0.00598319 0.0534845   79  PHE   A N    
2828 C CA   . PHE   B 67  ? 0.269451 0.298195 0.365915  -0.0265261  0.0105784   0.0468508   79  PHE   A CA   
2829 C C    . PHE   B 67  ? 0.253827 0.293757 0.363294  -0.0186699  0.0108376   0.029934    79  PHE   A C    
2830 O O    . PHE   B 67  ? 0.262919 0.293088 0.394365  -0.0157628  -0.00350284 0.0220381   79  PHE   A O    
2831 C CB   . PHE   B 67  ? 0.288854 0.301232 0.348862  -0.0155191  0.0119582   0.0393627   79  PHE   A CB   
2832 C CG   . PHE   B 67  ? 0.26417  0.253185 0.314773  -0.00020238 0.00140431  0.0219004   79  PHE   A CG   
2833 C CD1  . PHE   B 67  ? 0.313228 0.279529 0.371143  0.00410951  -0.0143584  0.018818    79  PHE   A CD1  
2834 C CD2  . PHE   B 67  ? 0.242178 0.233135 0.278142  0.0104889   0.0066581   0.00873662  79  PHE   A CD2  
2835 C CE1  . PHE   B 67  ? 0.279827 0.23109  0.324325  0.0190446   -0.0225289  0.00330281  79  PHE   A CE1  
2836 C CE2  . PHE   B 67  ? 0.270139 0.243618 0.295935  0.0240156   -0.00232284 -0.0026988  79  PHE   A CE2  
2837 C CZ   . PHE   B 67  ? 0.267723 0.224166 0.295656  0.0283515   -0.0161712  -0.00548054 79  PHE   A CZ   
2838 H H    . PHE   B 67  ? 0.301421 0.300382 0.435809  -0.0274306  -0.0160798  0.0428826   79  PHE   A H    
2839 H HA   . PHE   B 67  ? 0.280465 0.32983  0.378081  -0.0355407  0.0209452   0.0587047   79  PHE   A HA   
2840 H HB2  . PHE   B 67  ? 0.274627 0.301286 0.321545  -0.0147802  0.0227811   0.0368037   79  PHE   A HB2  
2841 H HB3  . PHE   B 67  ? 0.283838 0.289114 0.339388  -0.0194324  0.00943512  0.0495642   79  PHE   A HB3  
2842 H HD1  . PHE   B 67  ? 0.301538 0.262987 0.37209   -0.00260834 -0.0192787  0.0276732   79  PHE   A HD1  
2843 H HD2  . PHE   B 67  ? 0.249645 0.254853 0.283333  0.00880023  0.0163049   0.00797738  79  PHE   A HD2  
2844 H HE1  . PHE   B 67  ? 0.292904 0.231186 0.341373  0.0231615   -0.0330909  -0.00127331 79  PHE   A HE1  
2845 H HE2  . PHE   B 67  ? 0.259117 0.232962 0.276104  0.0306627   0.00104719  -0.00844866 79  PHE   A HE2  
2846 H HZ   . PHE   B 67  ? 0.273954 0.222064 0.291682  0.0382195   -0.0214272  -0.0132344  79  PHE   A HZ   
2847 N N    . SER   B 68  ? 0.259072 0.32171  0.358549  -0.0154694  0.0258437   0.0242593   80  SER   A N    
2848 C CA   . SER   B 68  ? 0.283105 0.356646 0.397007  -0.00572607 0.0256841   0.00870533  80  SER   A CA   
2849 C C    . SER   B 68  ? 0.251723 0.301584 0.338276  0.0108188   0.0217931   -0.00542891 80  SER   A C    
2850 O O    . SER   B 68  ? 0.252852 0.299346 0.314257  0.013684    0.0309116   -0.00747477 80  SER   A O    
2851 C CB   . SER   B 68  ? 0.318755 0.430624 0.443468  -0.00836889 0.0430807   0.00710675  80  SER   A CB   
2852 O OG   . SER   B 68  ? 0.338376 0.476363 0.488844  -0.0251471  0.0484873   0.0243506   80  SER   A OG   
2853 H H    . SER   B 68  ? 0.263908 0.335688 0.34863   -0.0183561  0.0352907   0.0289043   80  SER   A H    
2854 H HA   . SER   B 68  ? 0.278137 0.349018 0.41345   -0.00704886 0.0154483   0.00796857  80  SER   A HA   
2855 H HB2  . SER   B 68  ? 0.31392  0.428654 0.417401  -0.00638442 0.0520658   0.00504067  80  SER   A HB2  
2856 H HB3  . SER   B 68  ? 0.310495 0.427479 0.446963  -0.00026011 0.0412307   -0.00365195 80  SER   A HB3  
2858 N N    . LEU   B 69  ? 0.239603 0.276194 0.332986  0.0213265   0.00810798  -0.0147362  81  LEU   A N    
2859 C CA   . LEU   B 69  ? 0.254914 0.269167 0.322545  0.0359653   0.00347861  -0.0226767  81  LEU   A CA   
2860 C C    . LEU   B 69  ? 0.245088 0.266263 0.307273  0.043863    0.0142325   -0.0296991  81  LEU   A C    
2861 O O    . LEU   B 69  ? 0.266309 0.308341 0.350642  0.0463204   0.0183908   -0.0356195  81  LEU   A O    
2862 C CB   . LEU   B 69  ? 0.274592 0.278965 0.349406  0.0459203   -0.0143188  -0.0298169  81  LEU   A CB   
2863 C CG   . LEU   B 69  ? 0.324633 0.308236 0.370083  0.0608953   -0.0199866  -0.0335722  81  LEU   A CG   
2864 C CD1  . LEU   B 69  ? 0.305599 0.271795 0.325553  0.0595342   -0.0192666  -0.029097   81  LEU   A CD1  
2865 C CD2  . LEU   B 69  ? 0.361431 0.345389 0.415903  0.0713148   -0.0377611  -0.0414624  81  LEU   A CD2  
2866 H H    . LEU   B 69  ? 0.247887 0.290857 0.362627  0.0191128   0.00122499  -0.0153799  81  LEU   A H    
2867 H HA   . LEU   B 69  ? 0.253398 0.255083 0.303129  0.0344311   0.00427866  -0.0186943  81  LEU   A HA   
2868 H HB2  . LEU   B 69  ? 0.282936 0.283326 0.365508  0.0406024   -0.0219462  -0.0280177  81  LEU   A HB2  
2869 H HB3  . LEU   B 69  ? 0.280706 0.298709 0.374409  0.0479931   -0.015818   -0.0338019  81  LEU   A HB3  
2870 H HG   . LEU   B 69  ? 0.316744 0.301021 0.356432  0.0650852   -0.0127027  -0.0338227  81  LEU   A HG   
2871 H HD11 . LEU   B 69  ? 0.305419 0.272874 0.319267  0.0537842   -0.00896234 -0.0244505  81  LEU   A HD11 
2872 H HD12 . LEU   B 69  ? 0.317007 0.274219 0.320426  0.0687843   -0.0225423  -0.0306357  81  LEU   A HD12 
2873 H HD13 . LEU   B 69  ? 0.313091 0.277325 0.340905  0.0555295   -0.0262131  -0.0294803  81  LEU   A HD13 
2874 H HD21 . LEU   B 69  ? 0.350262 0.347057 0.423074  0.0726132   -0.0381527  -0.04402    81  LEU   A HD21 
2875 H HD22 . LEU   B 69  ? 0.354773 0.337338 0.417446  0.0671919   -0.0461348  -0.0436485  81  LEU   A HD22 
2876 H HD23 . LEU   B 69  ? 0.359567 0.333551 0.394177  0.0811643   -0.0410515  -0.0419699  81  LEU   A HD23 
2877 N N    . GLY   B 70  ? 0.28381  0.287404 0.319985  0.0483191   0.0180916   -0.0299797  82  GLY   A N    
2878 C CA   . GLY   B 70  ? 0.301017 0.301021 0.334189  0.0577231   0.0236614   -0.0377013  82  GLY   A CA   
2879 C C    . GLY   B 70  ? 0.331657 0.349871 0.368586  0.0528245   0.0380333   -0.0441696  82  GLY   A C    
2880 O O    . GLY   B 70  ? 0.401333 0.420687 0.446918  0.0621006   0.0414241   -0.0549804  82  GLY   A O    
2881 H H    . GLY   B 70  ? 0.275489 0.268891 0.298115  0.0454356   0.0168361   -0.0253759  82  GLY   A H    
2882 H HA2  . GLY   B 70  ? 0.307285 0.290076 0.324004  0.0610251   0.0221697   -0.035542   82  GLY   A HA2  
2883 H HA3  . GLY   B 70  ? 0.306903 0.309155 0.352771  0.0653948   0.0181748   -0.0413615  82  GLY   A HA3  
2884 N N    . LYS   B 71  ? 0.29306  0.327905 0.326097  0.0397424   0.0454122   -0.0381465  83  LYS   A N    
2885 C CA   . LYS   B 71  ? 0.293069 0.35259  0.324689  0.0350321   0.0595686   -0.04457    83  LYS   A CA   
2886 C C    . LYS   B 71  ? 0.318561 0.367526 0.32309   0.0296926   0.0625167   -0.0430285  83  LYS   A C    
2887 O O    . LYS   B 71  ? 0.383416 0.451    0.379258  0.0257669   0.0720554   -0.0493601  83  LYS   A O    
2888 C CB   . LYS   B 71  ? 0.278176 0.372197 0.32842   0.0253594   0.0662497   -0.0374021  83  LYS   A CB   
2889 H H    . LYS   B 71  ? 0.296306 0.327482 0.326918  0.034254    0.0410049   -0.0297842  83  LYS   A H    
2890 H HA   . LYS   B 71  ? 0.300692 0.361995 0.339415  0.0432501   0.0620903   -0.0559746  83  LYS   A HA   
2893 N N    . GLY   B 72  ? 0.354942 0.376221 0.346101  0.0310302   0.0540822   -0.0369283  84  GLY   A N    
2894 C CA   . GLY   B 72  ? 0.376232 0.389516 0.346637  0.0255695   0.0551807   -0.0342787  84  GLY   A CA   
2895 C C    . GLY   B 72  ? 0.37037  0.402626 0.332602  0.0138853   0.0581282   -0.0231378  84  GLY   A C    
2896 O O    . GLY   B 72  ? 0.399904 0.438179 0.346567  0.00921096  0.0611012   -0.0245916  84  GLY   A O    
2897 H H    . GLY   B 72  ? 0.345203 0.354157 0.340655  0.0359173   0.0472424   -0.034595   84  GLY   A H    
2898 H HA2  . GLY   B 72  ? 0.366911 0.362407 0.332254  0.0280876   0.0492856   -0.0296637  84  GLY   A HA2  
2899 H HA3  . GLY   B 72  ? 0.376402 0.389941 0.344097  0.0275075   0.0591623   -0.0443325  84  GLY   A HA3  
2900 N N    . GLN   B 73  ? 0.308692 0.351005 0.283783  0.00881321  0.0561421   -0.0113307  85  GLN   A N    
2901 C CA   . GLN   B 73  ? 0.318925 0.371338 0.290471  -0.00212633 0.0553364   0.00593681  85  GLN   A CA   
2902 C C    . GLN   B 73  ? 0.301403 0.330204 0.263164  -0.00149047 0.0451593   0.0140234   85  GLN   A C    
2903 O O    . GLN   B 73  ? 0.293327 0.326874 0.250462  -0.00865842 0.0428509   0.0282428   85  GLN   A O    
2904 C CB   . GLN   B 73  ? 0.333963 0.397147 0.329667  -0.00841784 0.053597    0.0174157   85  GLN   A CB   
2905 C CG   . GLN   B 73  ? 0.348692 0.446991 0.357232  -0.011857   0.0663704   0.0143847   85  GLN   A CG   
2906 C CD   . GLN   B 73  ? 0.334104 0.44403  0.373687  -0.019534   0.064116    0.0262934   85  GLN   A CD   
2907 O OE1  . GLN   B 73  ? 0.33208  0.422637 0.383733  -0.0238842  0.0519497   0.0373402   85  GLN   A OE1  
2908 N NE2  . GLN   B 73  ? 0.377323 0.521402 0.4338    -0.0216281  0.0757539   0.0232906   85  GLN   A NE2  
2909 H H    . GLN   B 73  ? 0.321356 0.363394 0.310082  0.0122004   0.0542487   -0.0134732  85  GLN   A H    
2910 H HA   . GLN   B 73  ? 0.323743 0.393786 0.285411  -0.00618586 0.0622919   0.00568623  85  GLN   A HA   
2911 H HB2  . GLN   B 73  ? 0.327794 0.375836 0.333682  -0.0033848  0.0461232   0.0138675   85  GLN   A HB2  
2912 H HB3  . GLN   B 73  ? 0.336421 0.399536 0.331732  -0.0153137  0.0506986   0.0309771   85  GLN   A HB3  
2913 H HG2  . GLN   B 73  ? 0.350474 0.467007 0.346982  -0.0168649  0.0739089   0.0184471   85  GLN   A HG2  
2914 H HG3  . GLN   B 73  ? 0.340502 0.438401 0.350283  -0.00374877 0.0688701   -0.00014568 85  GLN   A HG3  
2915 H HE21 . GLN   B 73  ? 0.364989 0.5189   0.442861  -0.0273414  0.0749917   0.030815    85  GLN   A HE21 
2916 H HE22 . GLN   B 73  ? 0.366544 0.524564 0.414512  -0.0171566  0.084237    0.0130455   85  GLN   A HE22 
2917 N N    . VAL   B 74  ? 0.242619 0.248774 0.201707  0.00793014  0.0395065   0.00591884  86  VAL   A N    
2918 C CA   . VAL   B 74  ? 0.259839 0.247998 0.210644  0.0114819   0.0320278   0.00981715  86  VAL   A CA   
2919 C C    . VAL   B 74  ? 0.246529 0.225067 0.186159  0.0176393   0.0350265   0.00035828  86  VAL   A C    
2920 O O    . VAL   B 74  ? 0.265754 0.245789 0.207464  0.020137    0.0401623   -0.00907098 86  VAL   A O    
2921 C CB   . VAL   B 74  ? 0.263679 0.23673  0.225739  0.0172179   0.0214205   0.0111183   86  VAL   A CB   
2922 C CG1  . VAL   B 74  ? 0.292044 0.269877 0.27037   0.00877956  0.0163652   0.0227665   86  VAL   A CG1  
2923 C CG2  . VAL   B 74  ? 0.271582 0.240075 0.240556  0.0253618   0.0196623   0.00114782  86  VAL   A CG2  
2924 H H    . VAL   B 74  ? 0.258306 0.261915 0.221544  0.0130438   0.0407391   -0.00209533 86  VAL   A H    
2925 H HA   . VAL   B 74  ? 0.257667 0.251192 0.204013  0.00643794  0.0316747   0.0172024   86  VAL   A HA   
2926 H HB   . VAL   B 74  ? 0.268459 0.231739 0.223447  0.0216876   0.0178264   0.0110543   86  VAL   A HB   
2927 H HG11 . VAL   B 74  ? 0.285087 0.275873 0.271746  0.00373865  0.0209635   0.02415     86  VAL   A HG11 
2928 H HG12 . VAL   B 74  ? 0.287619 0.267902 0.260855  0.0046287   0.0165759   0.0308115   86  VAL   A HG12 
2929 H HG13 . VAL   B 74  ? 0.286862 0.253178 0.273854  0.0126249   0.00786215  0.0211003   86  VAL   A HG13 
2930 H HG21 . VAL   B 74  ? 0.270676 0.231041 0.245002  0.029366    0.0115466   0.00030769  86  VAL   A HG21 
2931 H HG22 . VAL   B 74  ? 0.268394 0.231815 0.227974  0.0303707   0.0223789   -0.0033299  86  VAL   A HG22 
2932 H HG23 . VAL   B 74  ? 0.268171 0.248075 0.246713  0.0218862   0.0233429   0.00022403  86  VAL   A HG23 
2933 N N    . ILE   B 75  ? 0.244162 0.213535 0.176048  0.0201388   0.0317085   0.00349731  87  ILE   A N    
2934 C CA   . ILE   B 75  ? 0.246663 0.207516 0.172106  0.0239857   0.034707    -0.00114354 87  ILE   A CA   
2935 C C    . ILE   B 75  ? 0.250811 0.199574 0.179156  0.0331653   0.0335822   -0.00470746 87  ILE   A C    
2936 O O    . ILE   B 75  ? 0.265171 0.211577 0.198412  0.0383626   0.0278563   -0.0046195  87  ILE   A O    
2937 C CB   . ILE   B 75  ? 0.254617 0.213508 0.17486   0.0255046   0.0323253   0.00443448  87  ILE   A CB   
2938 C CG1  . ILE   B 75  ? 0.259051 0.211531 0.180823  0.0337913   0.0250452   0.00755048  87  ILE   A CG1  
2939 C CG2  . ILE   B 75  ? 0.265256 0.23778  0.183276  0.0168114   0.0326313   0.00723967  87  ILE   A CG2  
2940 C CD1  . ILE   B 75  ? 0.278201 0.232139 0.196282  0.0390115   0.0243066   0.0101344   87  ILE   A CD1  
2941 H H    . ILE   B 75  ? 0.245344 0.214437 0.177887  0.0192602   0.0275983   0.00940832  87  ILE   A H    
2942 H HA   . ILE   B 75  ? 0.250903 0.217126 0.175259  0.0196639   0.0388943   -0.00556298 87  ILE   A HA   
2943 H HB   . ILE   B 75  ? 0.257866 0.212151 0.176297  0.0274079   0.0350809   0.00318821  87  ILE   A HB   
2944 H HG12 . ILE   B 75  ? 0.261446 0.216238 0.188307  0.03095     0.0213492   0.0102216   87  ILE   A HG12 
2945 H HG13 . ILE   B 75  ? 0.26373  0.210093 0.185464  0.0392119   0.0238795   0.00457788  87  ILE   A HG13 
2946 H HG21 . ILE   B 75  ? 0.261715 0.234996 0.179223  0.0180974   0.0312127   0.0100496   87  ILE   A HG21 
2947 H HG22 . ILE   B 75  ? 0.262409 0.239871 0.181796  0.0145657   0.0300118   0.0115395   87  ILE   A HG22 
2948 H HG23 . ILE   B 75  ? 0.264542 0.241426 0.181151  0.0124812   0.0363054   0.00194912  87  ILE   A HG23 
2949 H HD11 . ILE   B 75  ? 0.274107 0.228176 0.188571  0.0396922   0.0291233   0.00998616  87  ILE   A HD11 
2950 H HD12 . ILE   B 75  ? 0.275714 0.225467 0.194167  0.0463278   0.0196956   0.00863104  87  ILE   A HD12 
2951 H HD13 . ILE   B 75  ? 0.271369 0.231809 0.19163   0.0347068   0.0233659   0.0133429   87  ILE   A HD13 
2952 N N    . LYS   B 76  ? 0.273394 0.214302 0.200768  0.0348639   0.0375581   -0.00733523 88  LYS   A N    
2953 C CA   . LYS   B 76  ? 0.26562  0.195196 0.195971  0.0437386   0.0359997   -0.00785936 88  LYS   A CA   
2954 C C    . LYS   B 76  ? 0.275246 0.200938 0.19743   0.053005    0.0298354   -0.0018804  88  LYS   A C    
2955 O O    . LYS   B 76  ? 0.269239 0.19213  0.193481  0.0613578   0.0240383   -0.00333901 88  LYS   A O    
2956 C CB   . LYS   B 76  ? 0.299497 0.218158 0.233269  0.0420903   0.0404634   -0.00820915 88  LYS   A CB   
2957 H H    . LYS   B 76  ? 0.267225 0.2096   0.19338   0.0301319   0.0404323   -0.00808851 88  LYS   A H    
2958 H HA   . LYS   B 76  ? 0.272954 0.206167 0.210671  0.0447708   0.0353787   -0.0128957  88  LYS   A HA   
2961 N N    . ALA   B 77  ? 0.305028 0.233014 0.218063  0.0531204   0.0304459   0.0032721   89  ALA   A N    
2962 C CA   . ALA   B 77  ? 0.304009 0.232293 0.206926  0.0637441   0.0251589   0.00505781  89  ALA   A CA   
2963 C C    . ALA   B 77  ? 0.313126 0.242084 0.221058  0.0682933   0.0148772   -0.00232272 89  ALA   A C    
2964 O O    . ALA   B 77  ? 0.293199 0.221096 0.194187  0.079085    0.00777248  -0.00528146 89  ALA   A O    
2965 C CB   . ALA   B 77  ? 0.311951 0.247461 0.208152  0.0643516   0.0280868   0.00851925  89  ALA   A CB   
2966 H H    . ALA   B 77  ? 0.29274  0.224019 0.20619   0.0472215   0.0339905   0.00443691  89  ALA   A H    
2967 H HA   . ALA   B 77  ? 0.317454 0.241854 0.215279  0.0690698   0.0256681   0.00865443  89  ALA   A HA   
2968 H HB1  . ALA   B 77  ? 0.312643 0.249071 0.207051  0.0619373   0.0341475   0.0142171   89  ALA   A HB1  
2969 H HB2  . ALA   B 77  ? 0.302167 0.240807 0.204098  0.0590249   0.0273313   0.00679134  89  ALA   A HB2  
2970 H HB3  . ALA   B 77  ? 0.315416 0.252948 0.20469   0.0728441   0.0243371   0.00667717  89  ALA   A HB3  
2971 N N    . TRP   B 78  ? 0.277198 0.209365 0.197822  0.0596351   0.0134032   -0.0045451  90  TRP   A N    
2972 C CA   . TRP   B 78  ? 0.290687 0.222708 0.22325   0.0607943   0.00340035  -0.0095261  90  TRP   A CA   
2973 C C    . TRP   B 78  ? 0.281449 0.215562 0.22416   0.0626396   0.00075373  -0.0134442  90  TRP   A C    
2974 O O    . TRP   B 78  ? 0.311428 0.244656 0.260085  0.0688903   -0.010271   -0.0193553  90  TRP   A O    
2975 C CB   . TRP   B 78  ? 0.25675  0.192772 0.202254  0.0496871   0.00284895  -0.00544113 90  TRP   A CB   
2976 C CG   . TRP   B 78  ? 0.291927 0.22304  0.237645  0.0519064   -0.00331886 -0.00421553 90  TRP   A CG   
2977 C CD1  . TRP   B 78  ? 0.292074 0.223216 0.226279  0.0574498   -0.00094317 -0.00358761 90  TRP   A CD1  
2978 C CD2  . TRP   B 78  ? 0.261886 0.187876 0.22585   0.0482307   -0.0134437  -0.00290665 90  TRP   A CD2  
2979 N NE1  . TRP   B 78  ? 0.292092 0.218078 0.235393  0.0604349   -0.00977674 -0.0046243  90  TRP   A NE1  
2980 C CE2  . TRP   B 78  ? 0.280436 0.200312 0.242551  0.0543834   -0.0183574  -0.00365838 90  TRP   A CE2  
2981 C CE3  . TRP   B 78  ? 0.262029 0.188489 0.247494  0.0401596   -0.0190585  -0.00054933 90  TRP   A CE3  
2982 C CZ2  . TRP   B 78  ? 0.303731 0.213089 0.285169  0.0534963   -0.0302361  -0.00253709 90  TRP   A CZ2  
2983 C CZ3  . TRP   B 78  ? 0.293245 0.210421 0.298056  0.0363655   -0.0296839  0.00348486  90  TRP   A CZ3  
2984 C CH2  . TRP   B 78  ? 0.303048 0.209056 0.306367  0.0434801   -0.0363239  0.00209828  90  TRP   A CH2  
2985 H H    . TRP   B 78  ? 0.280974 0.216347 0.203489  0.052517    0.0183094   -0.00227112 90  TRP   A H    
2986 H HA   . TRP   B 78  ? 0.287801 0.216798 0.215263  0.06835     -0.00272126 -0.0129604  90  TRP   A HA   
2987 H HB2  . TRP   B 78  ? 0.265248 0.206699 0.208756  0.0433334   0.0102251   -0.00183058 90  TRP   A HB2  
2988 H HB3  . TRP   B 78  ? 0.269711 0.207776 0.227811  0.0469017   -0.00094038 -0.00663413 90  TRP   A HB3  
2989 H HD1  . TRP   B 78  ? 0.289409 0.223567 0.213376  0.0596059   0.0052382   -0.00276404 90  TRP   A HD1  
2990 H HE1  . TRP   B 78  ? 0.291695 0.218586 0.231855  0.0651195   -0.00991932 -0.00535804 90  TRP   A HE1  
2991 H HE3  . TRP   B 78  ? 0.263773 0.197359 0.252913  0.0367675   -0.0153649  -0.00066016 90  TRP   A HE3  
2992 H HZ2  . TRP   B 78  ? 0.305079 0.210276 0.2871    0.0590747   -0.0338179  -0.00396679 90  TRP   A HZ2  
2993 H HZ3  . TRP   B 78  ? 0.291298 0.209275 0.313633  0.0293957   -0.0333653  0.00677384  90  TRP   A HZ3  
2994 H HH2  . TRP   B 78  ? 0.312668 0.209512 0.332363  0.041539    -0.0450194  0.00446219  90  TRP   A HH2  
2995 N N    . ASP   B 79  ? 0.260829 0.199047 0.208112  0.0580943   0.00923049  -0.0124934  91  ASP   A N    
2996 C CA   . ASP   B 79  ? 0.25759  0.199551 0.217437  0.0625695   0.00684625  -0.017105   91  ASP   A CA   
2997 C C    . ASP   B 79  ? 0.299729 0.233483 0.249125  0.0762212   -0.00059351 -0.0168919  91  ASP   A C    
2998 O O    . ASP   B 79  ? 0.322782 0.260649 0.28197   0.0828877   -0.0104267  -0.0215379  91  ASP   A O    
2999 C CB   . ASP   B 79  ? 0.287232 0.234506 0.253972  0.0584609   0.0171438   -0.0194534  91  ASP   A CB   
3000 C CG   . ASP   B 79  ? 0.264035 0.229704 0.243979  0.04752     0.0237671   -0.0213923  91  ASP   A CG   
3001 O OD1  . ASP   B 79  ? 0.257815 0.232026 0.249362  0.0424838   0.0192034   -0.0185171  91  ASP   A OD1  
3002 O OD2  . ASP   B 79  ? 0.268256 0.24055  0.247598  0.0442698   0.0333004   -0.0260049  91  ASP   A OD2  
3003 H H    . ASP   B 79  ? 0.260717 0.200268 0.20456   0.0528891   0.0158909   -0.0102678  91  ASP   A H    
3004 H HA   . ASP   B 79  ? 0.267768 0.216212 0.240444  0.0599946   0.00221931  -0.0193008  91  ASP   A HA   
3005 H HB2  . ASP   B 79  ? 0.277219 0.218286 0.23405   0.057172    0.0218905   -0.0173445  91  ASP   A HB2  
3006 H HB3  . ASP   B 79  ? 0.280478 0.226662 0.253594  0.0649941   0.0150249   -0.022247   91  ASP   A HB3  
3007 N N    . ILE   B 80  ? 0.305119 0.230618 0.235056  0.0800193   0.00338234  -0.0102356  92  ILE   A N    
3008 C CA   . ILE   B 80  ? 0.340376 0.261771 0.255125  0.0928986   -0.00228937 -0.00549285 92  ILE   A CA   
3009 C C    . ILE   B 80  ? 0.323905 0.250676 0.228771  0.101119    -0.0138005  -0.0119854  92  ILE   A C    
3010 O O    . ILE   B 80  ? 0.331643 0.261768 0.233579  0.111674    -0.0251948  -0.0155794  92  ILE   A O    
3011 C CB   . ILE   B 80  ? 0.358365 0.273162 0.25858   0.0923179   0.00744573  0.00666174  92  ILE   A CB   
3012 C CG1  . ILE   B 80  ? 0.357249 0.262462 0.270685  0.0867864   0.0145028   0.0100249   92  ILE   A CG1  
3013 C CG2  . ILE   B 80  ? 0.388323 0.304341 0.2676    0.104779    0.00370686  0.016075    92  ILE   A CG2  
3014 C CD1  . ILE   B 80  ? 0.423353 0.322661 0.330707  0.0802759   0.0240912   0.0203253   92  ILE   A CD1  
3015 H H    . ILE   B 80  ? 0.305105 0.229616 0.231385  0.0742901   0.0098409   -0.00757703 92  ILE   A H    
3016 H HA   . ILE   B 80  ? 0.33816  0.258863 0.260568  0.0969656   -0.00557534 -0.00598111 92  ILE   A HA   
3017 H HB   . ILE   B 80  ? 0.351386 0.268829 0.248402  0.0870289   0.0117301   0.0063703   92  ILE   A HB   
3018 H HG12 . ILE   B 80  ? 0.38048  0.281283 0.296719  0.0936516   0.0104128   0.0127249   92  ILE   A HG12 
3019 H HG13 . ILE   B 80  ? 0.359353 0.267662 0.284474  0.0807772   0.0163113   0.00235946  92  ILE   A HG13 
3020 H HG21 . ILE   B 80  ? 0.392909 0.30489  0.267738  0.102847    0.0106266   0.0265149   92  ILE   A HG21 
3021 H HG22 . ILE   B 80  ? 0.39355  0.308841 0.27478   0.11153     -0.00338011 0.01567     92  ILE   A HG22 
3022 H HG23 . ILE   B 80  ? 0.387015 0.310084 0.255912  0.108312    0.00112581  0.0122492   92  ILE   A HG23 
3023 H HD11 . ILE   B 80  ? 0.395501 0.30156  0.297321  0.0763826   0.0265834   0.019224    92  ILE   A HD11 
3024 H HD12 . ILE   B 80  ? 0.402127 0.295521 0.320949  0.0745382   0.0277432   0.0178065   92  ILE   A HD12 
3025 H HD13 . ILE   B 80  ? 0.417268 0.313101 0.316433  0.0857268   0.023741    0.0305934   92  ILE   A HD13 
3026 N N    . GLY   B 81  ? 0.315815 0.243815 0.216516  0.0975641   -0.0123707  -0.0150828  93  GLY   A N    
3027 C CA   . GLY   B 81  ? 0.323138 0.254575 0.213628  0.107078    -0.0224317  -0.024369   93  GLY   A CA   
3028 C C    . GLY   B 81  ? 0.323045 0.254457 0.232657  0.107101    -0.0378473  -0.0378105  93  GLY   A C    
3029 O O    . GLY   B 81  ? 0.315502 0.250475 0.218183  0.118479    -0.051112   -0.0484197  93  GLY   A O    
3030 H H    . GLY   B 81  ? 0.306453 0.23341  0.211537  0.0895787   -0.00541037 -0.0123352  93  GLY   A H    
3031 H HA2  . GLY   B 81  ? 0.337842 0.272771 0.211932  0.116489    -0.023781   -0.0223772  93  GLY   A HA2  
3032 H HA3  . GLY   B 81  ? 0.320669 0.252158 0.208388  0.104815    -0.0182319  -0.0241666  93  GLY   A HA3  
3033 N N    . VAL   B 82  ? 0.328164 0.257549 0.263186  0.0932729   -0.0363257  -0.036959   94  VAL   A N    
3034 C CA   . VAL   B 82  ? 0.325966 0.255858 0.285946  0.0897373   -0.049984   -0.0462661  94  VAL   A CA   
3035 C C    . VAL   B 82  ? 0.340204 0.278158 0.308976  0.095089    -0.0584911  -0.0508038  94  VAL   A C    
3036 O O    . VAL   B 82  ? 0.347215 0.287472 0.330235  0.0983302   -0.0752615  -0.0630333  94  VAL   A O    
3037 C CB   . VAL   B 82  ? 0.320337 0.250043 0.30483   0.0729777   -0.0449071  -0.0392017  94  VAL   A CB   
3038 C CG1  . VAL   B 82  ? 0.364495 0.29614  0.38155   0.0663051   -0.0582367  -0.0450148  94  VAL   A CG1  
3039 C CG2  . VAL   B 82  ? 0.325187 0.246514 0.302351  0.0712863   -0.0422895  -0.0360916  94  VAL   A CG2  
3040 H H    . VAL   B 82  ? 0.312502 0.241562 0.249372  0.0858267   -0.0268582  -0.0300011  94  VAL   A H    
3041 H HA   . VAL   B 82  ? 0.340035 0.266341 0.296098  0.0957629   -0.0586561  -0.0546901  94  VAL   A HA   
3042 H HB   . VAL   B 82  ? 0.317406 0.252678 0.302277  0.0678539   -0.0348109  -0.0322951  94  VAL   A HB   
3043 H HG11 . VAL   B 82  ? 0.363188 0.290088 0.379511  0.0738604   -0.0704193  -0.0556602  94  VAL   A HG11 
3044 H HG12 . VAL   B 82  ? 0.347447 0.288509 0.374716  0.0641632   -0.0568082  -0.0441115  94  VAL   A HG12 
3045 H HG13 . VAL   B 82  ? 0.348764 0.27807  0.378849  0.0566179   -0.0564754  -0.0389368  94  VAL   A HG13 
3046 H HG21 . VAL   B 82  ? 0.318837 0.240346 0.310099  0.0609958   -0.0400065  -0.029403   94  VAL   A HG21 
3047 H HG22 . VAL   B 82  ? 0.320498 0.242976 0.280451  0.073977    -0.0334968  -0.0318573  94  VAL   A HG22 
3048 H HG23 . VAL   B 82  ? 0.334734 0.250462 0.311636  0.0781497   -0.0521592  -0.0450361  94  VAL   A HG23 
3049 N N    . ALA   B 83  ? 0.301243 0.242736 0.262919  0.0975982   -0.0493446  -0.0424976  95  ALA   A N    
3050 C CA   . ALA   B 83  ? 0.307534 0.257087 0.278503  0.105251    -0.0578653  -0.0452622  95  ALA   A CA   
3051 C C    . ALA   B 83  ? 0.356004 0.307566 0.306989  0.121336    -0.0734096  -0.0522198  95  ALA   A C    
3052 O O    . ALA   B 83  ? 0.363785 0.324844 0.329436  0.126887    -0.0878118  -0.0594744  95  ALA   A O    
3053 C CB   . ALA   B 83  ? 0.32416  0.272811 0.29243   0.107602    -0.0464366  -0.0351468  95  ALA   A CB   
3054 H H    . ALA   B 83  ? 0.30353  0.241963 0.256635  0.0946836   -0.0384752  -0.0353141  95  ALA   A H    
3055 H HA   . ALA   B 83  ? 0.310659 0.266866 0.30577   0.0991634   -0.0625495  -0.049862   95  ALA   A HA   
3056 H HB1  . ALA   B 83  ? 0.306701 0.256938 0.286959  0.0985952   -0.0371602  -0.0334617  95  ALA   A HB1  
3057 H HB2  . ALA   B 83  ? 0.324718 0.266414 0.272488  0.111893    -0.0418439  -0.028775   95  ALA   A HB2  
3058 H HB3  . ALA   B 83  ? 0.324732 0.278824 0.301303  0.114095    -0.0536707  -0.0370703  95  ALA   A HB3  
3059 N N    . THR   B 84  ? 0.369107 0.316309 0.289981  0.128457    -0.0712899  -0.0516201  96  THR   A N    
3060 C CA   . THR   B 84  ? 0.406147 0.360769 0.301757  0.145374    -0.085165   -0.0596704  96  THR   A CA   
3061 C C    . THR   B 84  ? 0.40015  0.356623 0.30337   0.148395    -0.102608   -0.0819316  96  THR   A C    
3062 O O    . THR   B 84  ? 0.46674  0.432647 0.350361  0.16324     -0.116905   -0.0936346  96  THR   A O    
3063 C CB   . THR   B 84  ? 0.422675 0.378119 0.282074  0.153025    -0.0733672  -0.0491501  96  THR   A CB   
3064 O OG1  . THR   B 84  ? 0.407641 0.359779 0.264279  0.149315    -0.0676165  -0.0559522  96  THR   A OG1  
3065 C CG2  . THR   B 84  ? 0.436336 0.385869 0.292034  0.1484      -0.0572513  -0.027315   96  THR   A CG2  
3066 H H    . THR   B 84  ? 0.363342 0.305576 0.278535  0.123423    -0.0609665  -0.0464813  96  THR   A H    
3067 H HA   . THR   B 84  ? 0.409092 0.369008 0.305892  0.151057    -0.091573   -0.0574812  96  THR   A HA   
3068 H HB   . THR   B 84  ? 0.444052 0.408172 0.284346  0.165097    -0.0816225  -0.0522223  96  THR   A HB   
3070 H HG21 . THR   B 84  ? 0.443237 0.396291 0.276439  0.154715    -0.0524533  -0.0187799  96  THR   A HG21 
3071 H HG22 . THR   B 84  ? 0.412405 0.355496 0.279817  0.137803    -0.047685   -0.0249041  96  THR   A HG22 
3072 H HG23 . THR   B 84  ? 0.431028 0.380387 0.296534  0.149902    -0.0617495  -0.024354   96  THR   A HG23 
3073 N N    . MET   B 85  ? 0.377649 0.325682 0.309979  0.135126    -0.103493   -0.0881649  97  MET   A N    
3074 C CA   . MET   B 85  ? 0.407712 0.351184 0.351443  0.13712     -0.119925   -0.108729   97  MET   A CA   
3075 C C    . MET   B 85  ? 0.451969 0.399547 0.430354  0.132947    -0.140525   -0.122331   97  MET   A C    
3076 O O    . MET   B 85  ? 0.388363 0.341793 0.392663  0.122469    -0.13747    -0.11289    97  MET   A O    
3077 C CB   . MET   B 85  ? 0.396833 0.326315 0.356242  0.124714    -0.110878   -0.104436   97  MET   A CB   
3078 C CG   . MET   B 85  ? 0.397741 0.32637  0.327094  0.12943     -0.0932535  -0.0942915  97  MET   A CG   
3079 S SD   . MET   B 85  ? 0.389093 0.303122 0.340175  0.116145    -0.0865578  -0.0888364  97  MET   A SD   
3080 C CE   . MET   B 85  ? 0.3962   0.298962 0.36387   0.124978    -0.110009   -0.115626   97  MET   A CE   
3081 H H    . MET   B 85  ? 0.367101 0.311799 0.313545  0.124447    -0.0938762  -0.0789674  97  MET   A H    
3082 H HA   . MET   B 85  ? 0.429412 0.377126 0.348617  0.15007     -0.124394   -0.117132   97  MET   A HA   
3083 H HB2  . MET   B 85  ? 0.381611 0.309817 0.361461  0.112132    -0.105088   -0.0944852  97  MET   A HB2  
3084 H HB3  . MET   B 85  ? 0.40876  0.332163 0.380381  0.125926    -0.123176   -0.118173   97  MET   A HB3  
3085 H HG2  . MET   B 85  ? 0.4138   0.347165 0.322718  0.142114    -0.0972955  -0.103503   97  MET   A HG2  
3086 H HG3  . MET   B 85  ? 0.387311 0.319919 0.307429  0.127171    -0.0819662  -0.0810209  97  MET   A HG3  
3087 H HE1  . MET   B 85  ? 0.398683 0.291708 0.378861  0.12025     -0.108762   -0.11302    97  MET   A HE1  
3088 H HE2  . MET   B 85  ? 0.405072 0.305828 0.392497  0.120618    -0.121582   -0.121709   97  MET   A HE2  
3089 H HE3  . MET   B 85  ? 0.415879 0.324888 0.361895  0.139138    -0.113036   -0.127136   97  MET   A HE3  
3090 N N    . LYS   B 86  ? 0.469243 0.41717  0.447197  0.143139    -0.162357   -0.146896   98  LYS   A N    
3091 C CA   . LYS   B 86  ? 0.4991   0.448425 0.516203  0.137647    -0.185817   -0.164605   98  LYS   A CA   
3092 C C    . LYS   B 86  ? 0.455874 0.386313 0.513215  0.1219      -0.190624   -0.1694     98  LYS   A C    
3093 O O    . LYS   B 86  ? 0.460282 0.375849 0.508279  0.121811    -0.181676   -0.166922   98  LYS   A O    
3094 C CB   . LYS   B 86  ? 0.599386 0.558906 0.594573  0.157597    -0.209301   -0.191476   98  LYS   A CB   
3095 C CG   . LYS   B 86  ? 0.64407  0.624528 0.606259  0.171878    -0.209129   -0.183141   98  LYS   A CG   
3096 C CD   . LYS   B 86  ? 0.810719 0.805953 0.72768   0.19589     -0.223533   -0.201963   98  LYS   A CD   
3097 C CE   . LYS   B 86  ? 0.895593 0.90919  0.778184  0.208142    -0.218693   -0.182823   98  LYS   A CE   
3098 N NZ   . LYS   B 86  ? 0.94623  0.967675 0.774109  0.223085    -0.20425    -0.172717   98  LYS   A NZ   
3099 H H    . LYS   B 86  ? 0.489311 0.437751 0.441883  0.154206    -0.1627     -0.153868   98  LYS   A H    
3100 H HA   . LYS   B 86  ? 0.485648 0.443782 0.51896   0.131545    -0.184453   -0.155864   98  LYS   A HA   
3101 H HB2  . LYS   B 86  ? 0.6024   0.55691  0.576617  0.166261    -0.208332   -0.200365   98  LYS   A HB2  
3102 H HB3  . LYS   B 86  ? 0.599395 0.558047 0.623708  0.153238    -0.226882   -0.206214   98  LYS   A HB3  
3103 H HG2  . LYS   B 86  ? 0.656429 0.644162 0.642928  0.167038    -0.217824   -0.182981   98  LYS   A HG2  
3104 H HG3  . LYS   B 86  ? 0.645058 0.624169 0.592447  0.170118    -0.190419   -0.163359   98  LYS   A HG3  
3105 H HD2  . LYS   B 86  ? 0.800222 0.790726 0.696651  0.201051    -0.215583   -0.205092   98  LYS   A HD2  
3106 H HD3  . LYS   B 86  ? 0.810531 0.809351 0.741968  0.198696    -0.244438   -0.223398   98  LYS   A HD3  
3107 H HE2  . LYS   B 86  ? 0.901933 0.928078 0.785698  0.215653    -0.237379   -0.194444   98  LYS   A HE2  
3108 H HE3  . LYS   B 86  ? 0.8591   0.868571 0.757251  0.198616    -0.207338   -0.164332   98  LYS   A HE3  
3109 H HZ1  . LYS   B 86  ? 0.959838 0.990358 0.769306  0.234629    -0.215254   -0.190316   98  LYS   A HZ1  
3110 H HZ2  . LYS   B 86  ? 0.919595 0.93069  0.747779  0.216589    -0.188692   -0.164895   98  LYS   A HZ2  
3111 H HZ3  . LYS   B 86  ? 0.937909 0.96689  0.750725  0.227512    -0.199973   -0.156425   98  LYS   A HZ3  
3112 N N    . LYS   B 87  ? 0.440921 0.373241 0.546312  0.108593    -0.205891   -0.175035   99  LYS   A N    
3113 C CA   . LYS   B 87  ? 0.443799 0.357438 0.595244  0.0923318   -0.215385   -0.178749   99  LYS   A CA   
3114 C C    . LYS   B 87  ? 0.489123 0.384523 0.627869  0.10672     -0.231524   -0.205466   99  LYS   A C    
3115 O O    . LYS   B 87  ? 0.526216 0.429342 0.65069   0.122869    -0.251218   -0.232503   99  LYS   A O    
3116 C CB   . LYS   B 87  ? 0.438363 0.361541 0.644912  0.0772145   -0.232504   -0.183365   99  LYS   A CB   
3117 H H    . LYS   B 87  ? 0.443634 0.389854 0.555332  0.109445    -0.210805   -0.175413   99  LYS   A H    
3118 H HA   . LYS   B 87  ? 0.42897  0.336775 0.584469  0.0820342   -0.199217   -0.159757   99  LYS   A HA   
3121 N N    . GLY   B 88  ? 0.49189  0.365358 0.638184  0.101479    -0.224442   -0.198772   100 GLY   A N    
3122 C CA   . GLY   B 88  ? 0.55997  0.414382 0.702224  0.11559     -0.239357   -0.225171   100 GLY   A CA   
3123 C C    . GLY   B 88  ? 0.531085 0.393916 0.616305  0.138066    -0.225702   -0.230392   100 GLY   A C    
3124 O O    . GLY   B 88  ? 0.573205 0.424416 0.652226  0.152076    -0.233487   -0.251478   100 GLY   A O    
3125 H H    . GLY   B 88  ? 0.480319 0.351458 0.634977  0.0895757   -0.210167   -0.177509   100 GLY   A H    
3126 H HA2  . GLY   B 88  ? 0.543343 0.37954  0.712549  0.105248    -0.239553   -0.217706   100 GLY   A HA2  
3127 H HA3  . GLY   B 88  ? 0.564769 0.419277 0.719021  0.120687    -0.259802   -0.24829    100 GLY   A HA3  
3128 N N    . GLU   B 89  ? 0.495629 0.379361 0.542601  0.141966    -0.205821   -0.212004   101 GLU   A N    
3129 C CA   . GLU   B 89  ? 0.502772 0.39755  0.499848  0.158989    -0.189005   -0.209397   101 GLU   A CA   
3130 C C    . GLU   B 89  ? 0.48813  0.369026 0.489443  0.153539    -0.172605   -0.194369   101 GLU   A C    
3131 O O    . GLU   B 89  ? 0.447676 0.317666 0.475045  0.134321    -0.163467   -0.171405   101 GLU   A O    
3132 C CB   . GLU   B 89  ? 0.501086 0.416982 0.465532  0.160233    -0.171998   -0.187977   101 GLU   A CB   
3133 C CG   . GLU   B 89  ? 0.477291 0.408413 0.391916  0.175402    -0.153846   -0.180239   101 GLU   A CG   
3134 C CD   . GLU   B 89  ? 0.483173 0.430563 0.372155  0.176434    -0.14198    -0.159379   101 GLU   A CD   
3135 O OE1  . GLU   B 89  ? 0.472631 0.428386 0.365756  0.178635    -0.155996   -0.164201   101 GLU   A OE1  
3136 O OE2  . GLU   B 89  ? 0.474126 0.42601  0.341201  0.175621    -0.120177   -0.138445   101 GLU   A OE2  
3137 H H    . GLU   B 89  ? 0.48738  0.379403 0.541474  0.133549    -0.202389   -0.200083   101 GLU   A H    
3138 H HA   . GLU   B 89  ? 0.528907 0.428185 0.510908  0.174481    -0.200189   -0.232044   101 GLU   A HA   
3139 H HB2  . GLU   B 89  ? 0.500838 0.425758 0.464845  0.164034    -0.183715   -0.196315   101 GLU   A HB2  
3140 H HB3  . GLU   B 89  ? 0.468391 0.380495 0.447807  0.146062    -0.161258   -0.168627   101 GLU   A HB3  
3141 H HG2  . GLU   B 89  ? 0.47393  0.398387 0.390666  0.170512    -0.141341   -0.170033   101 GLU   A HG2  
3142 H HG3  . GLU   B 89  ? 0.51034  0.448166 0.408058  0.19025     -0.162452   -0.199326   101 GLU   A HG3  
3143 N N    . ILE   B 90  ? 0.49041  0.377174 0.462604  0.172047    -0.16769    -0.20658    102 ILE   A N    
3144 C CA   . ILE   B 90  ? 0.499014 0.381825 0.466827  0.171002    -0.149896   -0.191566   102 ILE   A CA   
3145 C C    . ILE   B 90  ? 0.463646 0.372544 0.384485  0.183078    -0.130081   -0.182979   102 ILE   A C    
3146 O O    . ILE   B 90  ? 0.46848  0.394821 0.360186  0.201636    -0.134282   -0.201005   102 ILE   A O    
3147 C CB   . ILE   B 90  ? 0.495661 0.361889 0.482787  0.181726    -0.161788   -0.213144   102 ILE   A CB   
3148 C CG1  . ILE   B 90  ? 0.532945 0.369003 0.572544  0.168702    -0.183858   -0.220165   102 ILE   A CG1  
3149 C CG2  . ILE   B 90  ? 0.488432 0.356259 0.470483  0.181041    -0.142544   -0.194358   102 ILE   A CG2  
3150 C CD1  . ILE   B 90  ? 0.582757 0.396866 0.647664  0.181445    -0.201808   -0.246747   102 ILE   A CD1  
3151 H H    . ILE   B 90  ? 0.518817 0.414971 0.473486  0.186383    -0.175892   -0.225471   102 ILE   A H    
3152 H HA   . ILE   B 90  ? 0.462741 0.33853  0.446399  0.155405    -0.142501   -0.171404   102 ILE   A HA   
3153 H HB   . ILE   B 90  ? 0.528807 0.404829 0.498107  0.198725    -0.168165   -0.235407   102 ILE   A HB   
3154 H HG12 . ILE   B 90  ? 0.510967 0.339729 0.566836  0.15248     -0.176201   -0.196688   102 ILE   A HG12 
3155 H HG13 . ILE   B 90  ? 0.537753 0.376004 0.582341  0.166602    -0.194866   -0.2293     102 ILE   A HG13 
3156 H HG21 . ILE   B 90  ? 0.498504 0.351967 0.501078  0.184931    -0.151039   -0.203751   102 ILE   A HG21 
3157 H HG22 . ILE   B 90  ? 0.463359 0.32882  0.451917  0.165658    -0.133026   -0.171113   102 ILE   A HG22 
3158 H HG23 . ILE   B 90  ? 0.487131 0.37402  0.440163  0.192335    -0.131791   -0.196289   102 ILE   A HG23 
3159 H HD11 . ILE   B 90  ? 0.599478 0.422373 0.648112  0.198458    -0.210046   -0.273061   102 ILE   A HD11 
3160 H HD12 . ILE   B 90  ? 0.585188 0.378724 0.686282  0.170344    -0.215688   -0.247121   102 ILE   A HD12 
3161 H HD13 . ILE   B 90  ? 0.570974 0.383378 0.633916  0.184139    -0.19193    -0.237551   102 ILE   A HD13 
3162 N N    . ALA   B 91  ? 0.430463 0.343245 0.345167  0.171477    -0.108881   -0.154477   103 ALA   A N    
3163 C CA   . ALA   B 91  ? 0.4378   0.37312  0.315351  0.178227    -0.0891202  -0.140902   103 ALA   A CA   
3164 C C    . ALA   B 91  ? 0.445639 0.382847 0.325728  0.173931    -0.0721624  -0.126331   103 ALA   A C    
3165 O O    . ALA   B 91  ? 0.402486 0.322862 0.311087  0.160609    -0.0731124  -0.117571   103 ALA   A O    
3166 C CB   . ALA   B 91  ? 0.432213 0.370414 0.304231  0.166134    -0.0818373  -0.119862   103 ALA   A CB   
3167 H H    . ALA   B 91  ? 0.419775 0.321209 0.355178  0.158296    -0.106867   -0.142598   103 ALA   A H    
3168 H HA   . ALA   B 91  ? 0.462064 0.41061  0.318649  0.193449    -0.0923106  -0.154784   103 ALA   A HA   
3169 H HB1  . ALA   B 91  ? 0.438876 0.37813  0.310474  0.169608    -0.093282   -0.128769   103 ALA   A HB1  
3170 H HB2  . ALA   B 91  ? 0.410371 0.338309 0.301921  0.152293    -0.0785365  -0.108632   103 ALA   A HB2  
3171 H HB3  . ALA   B 91  ? 0.427121 0.377319 0.277837  0.169156    -0.0694715  -0.108885   103 ALA   A HB3  
3172 N N    . HIS   B 92  ? 0.398745 0.359012 0.250044  0.184163    -0.0569359  -0.121376   104 HIS   A N    
3173 C CA   . HIS   B 92  ? 0.406123 0.373493 0.260541  0.178039    -0.0396412  -0.104625   104 HIS   A CA   
3174 C C    . HIS   B 92  ? 0.39679  0.371509 0.237982  0.165498    -0.0234283  -0.0785644  104 HIS   A C    
3175 O O    . HIS   B 92  ? 0.442399 0.428986 0.259357  0.17121     -0.0199774  -0.0740522  104 HIS   A O    
3176 C CB   . HIS   B 92  ? 0.397116 0.388461 0.236795  0.19694     -0.0324262  -0.116644   104 HIS   A CB   
3177 C CG   . HIS   B 92  ? 0.413907 0.396317 0.273355  0.210134    -0.046746   -0.142624   104 HIS   A CG   
3178 N ND1  . HIS   B 92  ? 0.422739 0.427086 0.272537  0.231569    -0.0437808  -0.16189    104 HIS   A ND1  
3179 C CD2  . HIS   B 92  ? 0.405101 0.358409 0.29665   0.204401    -0.0639669  -0.150986   104 HIS   A CD2  
3180 C CE1  . HIS   B 92  ? 0.427869 0.413497 0.305689  0.239914    -0.0600524  -0.183568   104 HIS   A CE1  
3181 N NE2  . HIS   B 92  ? 0.397066 0.349748 0.301472  0.222128    -0.0726746  -0.174739   104 HIS   A NE2  
3182 H H    . HIS   B 92  ? 0.431208 0.404687 0.261472  0.194697    -0.0575023  -0.127787   104 HIS   A H    
3183 H HA   . HIS   B 92  ? 0.386001 0.339062 0.262788  0.169509    -0.0433611  -0.101984   104 HIS   A HA   
3184 H HB2  . HIS   B 92  ? 0.418723 0.425373 0.235001  0.206602    -0.0305211  -0.12091    104 HIS   A HB2  
3185 H HB3  . HIS   B 92  ? 0.391338 0.392054 0.231446  0.191643    -0.0192477  -0.102409   104 HIS   A HB3  
3187 H HD2  . HIS   B 92  ? 0.387396 0.324372 0.292749  0.190398    -0.0683464  -0.140863   104 HIS   A HD2  
3188 H HE1  . HIS   B 92  ? 0.443668 0.438398 0.323103  0.255861    -0.0622312  -0.201801   104 HIS   A HE1  
3190 N N    . LEU   B 93  ? 0.349473 0.317083 0.206836  0.149416    -0.0149838  -0.0620113  105 LEU   A N    
3191 C CA   . LEU   B 93  ? 0.355921 0.32866  0.205636  0.137715    -0.00029677 -0.0405095  105 LEU   A CA   
3192 C C    . LEU   B 93  ? 0.368438 0.354926 0.222627  0.133834    0.0133305   -0.0306285  105 LEU   A C    
3193 O O    . LEU   B 93  ? 0.369956 0.352598 0.243048  0.129881    0.0106283   -0.0327506  105 LEU   A O    
3194 C CB   . LEU   B 93  ? 0.353906 0.309515 0.219623  0.120466    -0.00200858 -0.0310565  105 LEU   A CB   
3195 C CG   . LEU   B 93  ? 0.362726 0.307184 0.232852  0.120267    -0.0143188  -0.0377808  105 LEU   A CG   
3196 C CD1  . LEU   B 93  ? 0.335615 0.270141 0.22374   0.104124    -0.0129205  -0.0291902  105 LEU   A CD1  
3197 C CD2  . LEU   B 93  ? 0.354505 0.307276 0.201641  0.130745    -0.0144143  -0.0363732  105 LEU   A CD2  
3198 H H    . LEU   B 93  ? 0.353276 0.312339 0.22748   0.145671    -0.0192277  -0.0642979  105 LEU   A H    
3199 H HA   . LEU   B 93  ? 0.369532 0.350361 0.201955  0.143746    0.00232562  -0.0381725  105 LEU   A HA   
3200 H HB2  . LEU   B 93  ? 0.342174 0.292645 0.22239   0.114305    -0.00358652 -0.0309027  105 LEU   A HB2  
3201 H HB3  . LEU   B 93  ? 0.345664 0.304359 0.207202  0.114258    0.00736992  -0.0193645  105 LEU   A HB3  
3202 H HG   . LEU   B 93  ? 0.362122 0.302371 0.239439  0.125257    -0.0247158  -0.0499236  105 LEU   A HG   
3203 H HD11 . LEU   B 93  ? 0.331219 0.262277 0.231621  0.0979744   -0.0136724  -0.0285524  105 LEU   A HD11 
3204 H HD12 . LEU   B 93  ? 0.340638 0.271362 0.234113  0.104636    -0.0204837  -0.0338232  105 LEU   A HD12 
3205 H HD13 . LEU   B 93  ? 0.333144 0.269983 0.216256  0.0996139   -0.00394239 -0.0197889  105 LEU   A HD13 
3206 H HD21 . LEU   B 93  ? 0.376409 0.337998 0.210812  0.142376    -0.0172029  -0.0447461  105 LEU   A HD21 
3207 H HD22 . LEU   B 93  ? 0.358636 0.314761 0.199258  0.126978    -0.00426069 -0.023594   105 LEU   A HD22 
3208 H HD23 . LEU   B 93  ? 0.361639 0.308586 0.214474  0.129758    -0.0223349  -0.0396043  105 LEU   A HD23 
3209 N N    . LEU   B 94  ? 0.338814 0.340572 0.179406  0.132301    0.0274196   -0.0162848  106 LEU   A N    
3210 C CA   . LEU   B 94  ? 0.327904 0.342885 0.178309  0.12339     0.0406203   -0.00354404 106 LEU   A CA   
3211 C C    . LEU   B 94  ? 0.34482  0.349881 0.199329  0.106638    0.0472423   0.0135834   106 LEU   A C    
3212 O O    . LEU   B 94  ? 0.351613 0.353165 0.192724  0.107987    0.0492739   0.0217306   106 LEU   A O    
3213 C CB   . LEU   B 94  ? 0.359304 0.404789 0.196096  0.135515    0.0525352   -0.001215   106 LEU   A CB   
3214 C CG   . LEU   B 94  ? 0.376879 0.444327 0.228573  0.128618    0.0661332   0.00973904  106 LEU   A CG   
3215 C CD1  . LEU   B 94  ? 0.343842 0.413018 0.217872  0.130292    0.0599711   -0.00146424 106 LEU   A CD1  
3216 C CD2  . LEU   B 94  ? 0.422229 0.52395  0.25828   0.14055     0.0799214   0.0145021   106 LEU   A CD2  
3217 H H    . LEU   B 94  ? 0.356518 0.360959 0.1829    0.136486    0.0282108   -0.0135065  106 LEU   A H    
3218 H HA   . LEU   B 94  ? 0.326204 0.33804  0.191048  0.120714    0.0368534   -0.00805382 106 LEU   A HA   
3219 H HB2  . LEU   B 94  ? 0.371219 0.422078 0.203227  0.148709    0.046943    -0.0158634  106 LEU   A HB2  
3220 H HB3  . LEU   B 94  ? 0.372696 0.421579 0.194468  0.136813    0.0566307   0.00696278  106 LEU   A HB3  
3221 H HG   . LEU   B 94  ? 0.365279 0.425807 0.223857  0.114885    0.0702062   0.0224305   106 LEU   A HG   
3222 H HD11 . LEU   B 94  ? 0.337796 0.387873 0.220843  0.121499    0.0523122   -0.00149444 106 LEU   A HD11 
3223 H HD12 . LEU   B 94  ? 0.347166 0.433808 0.231246  0.126611    0.0683741   0.00542172  106 LEU   A HD12 
3224 H HD13 . LEU   B 94  ? 0.360057 0.432904 0.230433  0.144163    0.054751    -0.0152649  106 LEU   A HD13 
3225 H HD21 . LEU   B 94  ? 0.424086 0.525423 0.246507  0.138381    0.0841715   0.0258412   106 LEU   A HD21 
3226 H HD22 . LEU   B 94  ? 0.425675 0.535039 0.253072  0.155522    0.0756112   -0.00057975 106 LEU   A HD22 
3227 H HD23 . LEU   B 94  ? 0.410231 0.528696 0.259202  0.135806    0.0888203   0.021486    106 LEU   A HD23 
3228 N N    . ILE   B 95  ? 0.302968 0.304583 0.175976  0.0926538   0.0492947   0.0179623   107 ILE   A N    
3229 C CA   . ILE   B 95  ? 0.324189 0.311553 0.205288  0.0772611   0.0509476   0.0259132   107 ILE   A CA   
3230 C C    . ILE   B 95  ? 0.325883 0.323055 0.221013  0.0644374   0.0598424   0.0355395   107 ILE   A C    
3231 O O    . ILE   B 95  ? 0.313381 0.322052 0.220475  0.061233    0.0591821   0.0327557   107 ILE   A O    
3232 C CB   . ILE   B 95  ? 0.290805 0.263004 0.180663  0.0713254   0.0410169   0.0174796   107 ILE   A CB   
3233 C CG1  . ILE   B 95  ? 0.299516 0.261976 0.182927  0.0811003   0.0308432   0.00802415  107 ILE   A CG1  
3234 C CG2  . ILE   B 95  ? 0.294337 0.256857 0.191234  0.0578792   0.0441193   0.0219558   107 ILE   A CG2  
3235 C CD1  . ILE   B 95  ? 0.314806 0.26805  0.210686  0.0759753   0.0215297   0.00203343  107 ILE   A CD1  
3236 H H    . ILE   B 95  ? 0.311084 0.320584 0.192122  0.0936526   0.0489951   0.014673    107 ILE   A H    
3237 H HA   . ILE   B 95  ? 0.323178 0.304752 0.196237  0.078973    0.0520295   0.0302792   107 ILE   A HA   
3238 H HB   . ILE   B 95  ? 0.291245 0.268796 0.188515  0.0697738   0.0391842   0.015353    107 ILE   A HB   
3239 H HG12 . ILE   B 95  ? 0.308001 0.264616 0.186297  0.0814207   0.0311134   0.0101746   107 ILE   A HG12 
3240 H HG13 . ILE   B 95  ? 0.312349 0.281606 0.189166  0.0912825   0.029478    0.00375045  107 ILE   A HG13 
3241 H HG21 . ILE   B 95  ? 0.287478 0.242274 0.186427  0.0560523   0.0392243   0.0171823   107 ILE   A HG21 
3242 H HG22 . ILE   B 95  ? 0.299892 0.25894  0.192798  0.0587459   0.0477816   0.0272495   107 ILE   A HG22 
3243 H HG23 . ILE   B 95  ? 0.287692 0.256088 0.192303  0.0504974   0.0468647   0.0238737   107 ILE   A HG23 
3244 H HD11 . ILE   B 95  ? 0.304916 0.26254  0.206495  0.0762987   0.0200455   0.00134806  107 ILE   A HD11 
3245 H HD12 . ILE   B 95  ? 0.311636 0.259192 0.206571  0.0815398   0.0146265   -0.00400129 107 ILE   A HD12 
3246 H HD13 . ILE   B 95  ? 0.300357 0.250149 0.200782  0.066856    0.0235561   0.00521621  107 ILE   A HD13 
3247 N N    . LYS   B 96  ? 0.321133 0.315005 0.21742   0.0574606   0.0674423   0.0481966   108 LYS   A N    
3248 C CA   . LYS   B 96  ? 0.290875 0.289284 0.206139  0.0423636   0.0735437   0.0560914   108 LYS   A CA   
3249 C C    . LYS   B 96  ? 0.299893 0.284093 0.226733  0.0307871   0.0663907   0.046237    108 LYS   A C    
3250 O O    . LYS   B 96  ? 0.301039 0.269862 0.221555  0.0328881   0.0597389   0.0377388   108 LYS   A O    
3251 C CB   . LYS   B 96  ? 0.299623 0.292682 0.217421  0.0370454   0.0816707   0.0737049   108 LYS   A CB   
3252 H H    . LYS   B 96  ? 0.326346 0.314361 0.212755  0.0623167   0.0676555   0.0520291   108 LYS   A H    
3253 H HA   . LYS   B 96  ? 0.29642  0.312633 0.217454  0.0428888   0.076781    0.056754    108 LYS   A HA   
3256 N N    . PRO   B 97  ? 0.297325 0.291085 0.242407  0.0181187   0.0674732   0.0460737   109 PRO   A N    
3257 C CA   . PRO   B 97  ? 0.301533 0.289759 0.253488  0.00883668  0.0602654   0.0346137   109 PRO   A CA   
3258 C C    . PRO   B 97  ? 0.294155 0.259791 0.246212  0.00455907  0.0580758   0.0284236   109 PRO   A C    
3259 O O    . PRO   B 97  ? 0.26711  0.228851 0.214451  0.00375356  0.0526961   0.0169224   109 PRO   A O    
3260 C CB   . PRO   B 97  ? 0.344496 0.349874 0.317071  -0.00343652 0.0608108   0.0354329   109 PRO   A CB   
3261 C CG   . PRO   B 97  ? 0.338029 0.358704 0.318811  -0.00191533 0.0708254   0.0501256   109 PRO   A CG   
3262 C CD   . PRO   B 97  ? 0.340079 0.356381 0.299773  0.0133589   0.0754912   0.0563879   109 PRO   A CD   
3263 H HA   . PRO   B 97  ? 0.295796 0.287366 0.240725  0.0136857   0.0556839   0.0295588   109 PRO   A HA   
3264 H HB2  . PRO   B 97  ? 0.338025 0.335009 0.319447  -0.0124726  0.0591891   0.0313749   109 PRO   A HB2  
3265 H HB3  . PRO   B 97  ? 0.324046 0.340572 0.296509  -0.00268933 0.0561221   0.0307759   109 PRO   A HB3  
3266 H HG2  . PRO   B 97  ? 0.349705 0.366073 0.34339   -0.0111455  0.0740075   0.0556663   109 PRO   A HG2  
3267 H HG3  . PRO   B 97  ? 0.334965 0.374778 0.323015  -0.00145941 0.0708334   0.0500623   109 PRO   A HG3  
3268 H HD2  . PRO   B 97  ? 0.341863 0.35593  0.302989  0.0117288   0.0817341   0.067       109 PRO   A HD2  
3269 H HD3  . PRO   B 97  ? 0.326932 0.358313 0.282422  0.0216593   0.0766311   0.0558002   109 PRO   A HD3  
3270 N N    . GLU   B 98  ? 0.33028  0.282171 0.287043  0.00395531  0.0625477   0.0373438   110 GLU   A N    
3271 C CA   . GLU   B 98  ? 0.347897 0.27681  0.309064  0.00260516  0.059703    0.0309908   110 GLU   A CA   
3272 C C    . GLU   B 98  ? 0.329464 0.252712 0.275208  0.0136133   0.0556582   0.023137    110 GLU   A C    
3273 O O    . GLU   B 98  ? 0.314864 0.227121 0.265876  0.0125597   0.0528755   0.0119982   110 GLU   A O    
3274 C CB   . GLU   B 98  ? 0.409718 0.322772 0.380041  0.00185299  0.0638902   0.0468714   110 GLU   A CB   
3275 C CG   . GLU   B 98  ? 0.474835 0.391997 0.468927  -0.0129649  0.0676546   0.0553442   110 GLU   A CG   
3276 C CD   . GLU   B 98  ? 0.483335 0.428464 0.478086  -0.0149714  0.075402    0.0693067   110 GLU   A CD   
3277 O OE1  . GLU   B 98  ? 0.379975 0.341494 0.355365  -0.00311031 0.0798109   0.0760072   110 GLU   A OE1  
3278 O OE2  . GLU   B 98  ? 0.564339 0.51659  0.5842    -0.0295125  0.0766964   0.0718825   110 GLU   A OE2  
3279 H H    . GLU   B 98  ? 0.333327 0.2909   0.291214  0.00508345  0.0674912   0.0482232   110 GLU   A H    
3280 H HA   . GLU   B 98  ? 0.351712 0.27986  0.3227    -0.00530751 0.0570142   0.0211343   110 GLU   A HA   
3281 H HB2  . GLU   B 98  ? 0.412227 0.329701 0.370378  0.00988124  0.0666912   0.0571517   110 GLU   A HB2  
3282 H HB3  . GLU   B 98  ? 0.418586 0.315176 0.392913  0.00322538  0.060795    0.0417905   110 GLU   A HB3  
3283 H HG2  . GLU   B 98  ? 0.481884 0.383565 0.485932  -0.0153285  0.0686981   0.0644056   110 GLU   A HG2  
3284 H HG3  . GLU   B 98  ? 0.461033 0.377918 0.465144  -0.0202707  0.0634031   0.0421114   110 GLU   A HG3  
3285 N N    . TYR   B 99  ? 0.31748  0.249435 0.247683  0.0240549   0.0549223   0.027111    111 TYR   A N    
3286 C CA   . TYR   B 99  ? 0.307341 0.235168 0.228501  0.0325903   0.049772    0.020158    111 TYR   A CA   
3287 C C    . TYR   B 99  ? 0.294079 0.234212 0.212033  0.0313429   0.0457936   0.013211    111 TYR   A C    
3288 O O    . TYR   B 99  ? 0.306981 0.246217 0.22102   0.036789    0.0411889   0.00963401  111 TYR   A O    
3289 C CB   . TYR   B 99  ? 0.309555 0.23567  0.21829   0.0452429   0.0486276   0.0278963   111 TYR   A CB   
3290 C CG   . TYR   B 99  ? 0.323255 0.235944 0.233882  0.0477073   0.0507916   0.038626    111 TYR   A CG   
3291 C CD1  . TYR   B 99  ? 0.317059 0.230945 0.230828  0.0434164   0.0576094   0.0536283   111 TYR   A CD1  
3292 C CD2  . TYR   B 99  ? 0.374129 0.273787 0.287341  0.053683    0.045676    0.0352879   111 TYR   A CD2  
3293 C CE1  . TYR   B 99  ? 0.336631 0.235377 0.255677  0.0439962   0.0588172   0.0674193   111 TYR   A CE1  
3294 C CE2  . TYR   B 99  ? 0.383377 0.26864  0.300478  0.0572482   0.0456311   0.0471877   111 TYR   A CE2  
3295 C CZ   . TYR   B 99  ? 0.370027 0.253508 0.288748  0.0524501   0.0520382   0.0650513   111 TYR   A CZ   
3296 O OH   . TYR   B 99  ? 0.398913 0.264726 0.325732  0.0540149   0.0514288   0.0804829   111 TYR   A OH   
3297 H H    . TYR   B 99  ? 0.317239 0.258621 0.244541  0.0258084   0.057426    0.033492    111 TYR   A H    
3298 H HA   . TYR   B 99  ? 0.311101 0.230218 0.237814  0.0311367   0.0488397   0.014848    111 TYR   A HA   
3299 H HB2  . TYR   B 99  ? 0.309565 0.245534 0.212967  0.0476124   0.0505821   0.0319844   111 TYR   A HB2  
3300 H HB3  . TYR   B 99  ? 0.305328 0.230523 0.210717  0.0500981   0.0438047   0.022036    111 TYR   A HB3  
3301 H HD1  . TYR   B 99  ? 0.317869 0.243156 0.233252  0.039074    0.0614386   0.0555538   111 TYR   A HD1  
3302 H HD2  . TYR   B 99  ? 0.350492 0.252077 0.263906  0.0559929   0.0417256   0.0260317   111 TYR   A HD2  
3303 H HE1  . TYR   B 99  ? 0.354527 0.255131 0.277331  0.0397385   0.0640321   0.0803462   111 TYR   A HE1  
3304 H HE2  . TYR   B 99  ? 0.382022 0.25936  0.302652  0.0626407   0.0411895   0.0444389   111 TYR   A HE2  
3306 N N    . ALA   B 100 ? 0.298699 0.25009  0.221366  0.0232551   0.0464518   0.0124392   112 ALA   A N    
3307 C CA   . ALA   B 100 ? 0.280675 0.243629 0.201371  0.0218019   0.041667    0.0102812   112 ALA   A CA   
3308 C C    . ALA   B 100 ? 0.277008 0.248415 0.201724  0.0105259   0.0411856   0.00396369  112 ALA   A C    
3309 O O    . ALA   B 100 ? 0.306449 0.275173 0.230185  0.00761357  0.0418272   -0.00417291 112 ALA   A O    
3310 C CB   . ALA   B 100 ? 0.269909 0.24309  0.190987  0.0274165   0.0407921   0.016295    112 ALA   A CB   
3311 H H    . ALA   B 100 ? 0.298555 0.250701 0.2273    0.0181713   0.0491862   0.0142328   112 ALA   A H    
3312 H HA   . ALA   B 100 ? 0.27774  0.237223 0.19542   0.0251288   0.0389412   0.00859597  112 ALA   A HA   
3313 H HB1  . ALA   B 100 ? 0.273621 0.242788 0.190021  0.0357054   0.0396514   0.0169013   112 ALA   A HB1  
3314 H HB2  . ALA   B 100 ? 0.27521  0.25293  0.200538  0.025094    0.0448785   0.019313    112 ALA   A HB2  
3315 H HB3  . ALA   B 100 ? 0.268937 0.249337 0.191948  0.0254912   0.0369514   0.0161986   112 ALA   A HB3  
3316 N N    . TYR   B 101 ? 0.259806 0.24433  0.189803  0.0050205   0.0398065   0.00570822  113 TYR   A N    
3317 C CA   . TYR   B 101 ? 0.258665 0.255522 0.189741  -0.00453391 0.0364349   -0.00176835 113 TYR   A CA   
3318 C C    . TYR   B 101 ? 0.292047 0.289203 0.236621  -0.0137186  0.0373889   -0.00844671 113 TYR   A C    
3319 O O    . TYR   B 101 ? 0.276517 0.285225 0.222856  -0.0216969  0.0326805   -0.018574   113 TYR   A O    
3320 C CB   . TYR   B 101 ? 0.272752 0.287442 0.200698  -0.00463588 0.0297524   0.00421065  113 TYR   A CB   
3321 C CG   . TYR   B 101 ? 0.273207 0.284147 0.192668  0.00126815  0.027392    0.0106934   113 TYR   A CG   
3322 C CD1  . TYR   B 101 ? 0.271713 0.286233 0.182705  -0.00255079 0.028052    0.00763629  113 TYR   A CD1  
3323 C CD2  . TYR   B 101 ? 0.278839 0.281792 0.201414  0.0109657   0.0254105   0.0180581   113 TYR   A CD2  
3324 C CE1  . TYR   B 101 ? 0.262729 0.275048 0.171319  6.579e-05   0.0264092   0.0158358   113 TYR   A CE1  
3325 C CE2  . TYR   B 101 ? 0.27315  0.269667 0.193901  0.0143271   0.02139     0.023013    113 TYR   A CE2  
3326 C CZ   . TYR   B 101 ? 0.267113 0.268035 0.182448  0.0076765   0.0221974   0.0236567   113 TYR   A CZ   
3327 O OH   . TYR   B 101 ? 0.24894  0.245002 0.167769  0.00850902  0.0187594   0.0311657   113 TYR   A OH   
3328 H H    . TYR   B 101 ? 0.261599 0.24965  0.194722  0.00782706  0.0406962   0.0110117   113 TYR   A H    
3329 H HA   . TYR   B 101 ? 0.270533 0.264874 0.196148  -0.00511872 0.0368408   -0.00750287 113 TYR   A HA   
3330 H HB2  . TYR   B 101 ? 0.267549 0.2864   0.202326  -0.00227595 0.0292958   0.00915384  113 TYR   A HB2  
3331 H HB3  . TYR   B 101 ? 0.274934 0.300256 0.201346  -0.0107971  0.0267983   -0.00081362 113 TYR   A HB3  
3332 H HD1  . TYR   B 101 ? 0.275729 0.296757 0.183721  -0.0075063  0.0293772   -0.00016607 113 TYR   A HD1  
3333 H HD2  . TYR   B 101 ? 0.273193 0.27697  0.200625  0.0149311   0.0262361   0.0192602   113 TYR   A HD2  
3334 H HE1  . TYR   B 101 ? 0.270369 0.289519 0.174208  -0.00340368 0.02816     0.01521     113 TYR   A HE1  
3335 H HE2  . TYR   B 101 ? 0.271985 0.262207 0.196592  0.0210026   0.0183553   0.025468    113 TYR   A HE2  
3337 N N    . GLY   B 102 ? 0.280802 0.268224 0.23619   -0.0133461  0.0424188   -0.00173881 114 GLY   A N    
3338 C CA   . GLY   B 102 ? 0.314056 0.295012 0.287851  -0.0234287  0.0433828   -0.00578918 114 GLY   A CA   
3339 C C    . GLY   B 102 ? 0.31461  0.316309 0.302828  -0.0336458  0.0385224   -0.00839731 114 GLY   A C    
3340 O O    . GLY   B 102 ? 0.285349 0.307257 0.271293  -0.0309177  0.0360851   -0.00246515 114 GLY   A O    
3341 H H    . GLY   B 102 ? 0.284181 0.269256 0.236144  -0.00680313 0.0451405   0.00622269  114 GLY   A H    
3342 H HA2  . GLY   B 102 ? 0.311673 0.284222 0.290673  -0.0216879  0.0482031   0.00350989  114 GLY   A HA2  
3343 H HA3  . GLY   B 102 ? 0.315702 0.287328 0.289431  -0.02525    0.0418441   -0.0162584  114 GLY   A HA3  
3344 N N    . SER   B 103 ? 0.319193 0.315088 0.326375  -0.0452198  0.0355953   -0.0183046  115 SER   A N    
3345 C CA   . SER   B 103 ? 0.331981 0.348594 0.358738  -0.0565284  0.029506    -0.0215878  115 SER   A CA   
3346 C C    . SER   B 103 ? 0.32376  0.361486 0.335902  -0.0564594  0.0192595   -0.0345701  115 SER   A C    
3347 O O    . SER   B 103 ? 0.300511 0.362444 0.322188  -0.0605275  0.0131577   -0.0324279  115 SER   A O    
3348 C CB   . SER   B 103 ? 0.399798 0.403794 0.457379  -0.0708893  0.0272236   -0.0285     115 SER   A CB   
3349 O OG   . SER   B 103 ? 0.443332 0.430645 0.493803  -0.0704298  0.0219868   -0.049633   115 SER   A OG   
3350 H H    . SER   B 103 ? 0.332407 0.311622 0.342668  -0.0459785  0.0363827   -0.0237229  115 SER   A H    
3351 H HA   . SER   B 103 ? 0.328336 0.356265 0.35963   -0.0544648  0.0331823   -0.00894614 115 SER   A HA   
3352 H HB2  . SER   B 103 ? 0.397491 0.417655 0.4699    -0.0790258  0.0219868   -0.0317475  115 SER   A HB2  
3353 H HB3  . SER   B 103 ? 0.397279 0.389565 0.464183  -0.0712525  0.0340938   -0.0157099  115 SER   A HB3  
3355 N N    . ALA   B 104 ? 0.322098 0.353637 0.313101  -0.0520185  0.017554    -0.047019   116 ALA   A N    
3356 C CA   . ALA   B 104 ? 0.337854 0.39287  0.310543  -0.0520588  0.00884459  -0.0568329  116 ALA   A CA   
3357 C C    . ALA   B 104 ? 0.304382 0.375941 0.2642    -0.0446892  0.00744628  -0.0389666  116 ALA   A C    
3358 O O    . ALA   B 104 ? 0.276923 0.372815 0.231044  -0.0464297  -0.00210231 -0.0392248  116 ALA   A O    
3359 C CB   . ALA   B 104 ? 0.327949 0.376307 0.281083  -0.0475995  0.0113513   -0.0703128  116 ALA   A CB   
3360 H H    . ALA   B 104 ? 0.327833 0.342525 0.315808  -0.0486851  0.0220914   -0.048634   116 ALA   A H    
3361 H HA   . ALA   B 104 ? 0.338449 0.404506 0.321482  -0.0596327  0.00160501  -0.0666299  116 ALA   A HA   
3362 H HB1  . ALA   B 104 ? 0.346151 0.382792 0.309259  -0.0508136  0.0112712   -0.0836248  116 ALA   A HB1  
3363 H HB2  . ALA   B 104 ? 0.32533  0.364175 0.271111  -0.0409515  0.0175882   -0.0607963  116 ALA   A HB2  
3364 H HB3  . ALA   B 104 ? 0.339657 0.406439 0.278676  -0.0478246  0.00658677  -0.075409   116 ALA   A HB3  
3365 N N    . GLY   B 105 ? 0.255375 0.312859 0.211799  -0.0358704  0.0153456   -0.024534   117 GLY   A N    
3366 C CA   . GLY   B 105 ? 0.264    0.330176 0.211088  -0.0272859  0.0132138   -0.00970566 117 GLY   A CA   
3367 C C    . GLY   B 105 ? 0.26635  0.338009 0.191215  -0.025432   0.0103428   -0.00967132 117 GLY   A C    
3368 O O    . GLY   B 105 ? 0.259633 0.327047 0.174168  -0.0278315  0.0138604   -0.0212262  117 GLY   A O    
3369 H H    . GLY   B 105 ? 0.266697 0.308122 0.227324  -0.0346779  0.0212603   -0.0242306  117 GLY   A H    
3370 H HA2  . GLY   B 105 ? 0.251584 0.30617  0.20046   -0.0212644  0.0185823   -0.00257652 117 GLY   A HA2  
3371 H HA3  . GLY   B 105 ? 0.258818 0.340043 0.213998  -0.0284491  0.00794231  -0.00634548 117 GLY   A HA3  
3372 N N    . SER   B 106 ? 0.258386 0.341289 0.178367  -0.0207428  0.0040703   0.00442773  118 SER   A N    
3373 C CA   . SER   B 106 ? 0.256668 0.348319 0.157854  -0.0202395  0.0010332   0.012093    118 SER   A CA   
3374 C C    . SER   B 106 ? 0.265297 0.376482 0.166816  -0.0186041  -0.0110078  0.025739    118 SER   A C    
3375 O O    . SER   B 106 ? 0.275925 0.381763 0.178909  -0.0123214  -0.0146638  0.0429612   118 SER   A O    
3376 C CB   . SER   B 106 ? 0.23587  0.308829 0.133249  -0.0149982  0.00769014  0.0202147   118 SER   A CB   
3377 O OG   . SER   B 106 ? 0.289536 0.376189 0.170927  -0.0181044  0.0066976   0.0282726   118 SER   A OG   
3378 H H    . SER   B 106 ? 0.253026 0.338726 0.183177  -0.0176281  0.0017051   0.0105592   118 SER   A H    
3379 H HA   . SER   B 106 ? 0.265346 0.365749 0.157053  -0.0251713  0.00164014  0.00186774  118 SER   A HA   
3380 H HB2  . SER   B 106 ? 0.243857 0.305622 0.142896  -0.0150543  0.0141294   0.0113997   118 SER   A HB2  
3381 H HB3  . SER   B 106 ? 0.242353 0.307068 0.147834  -0.00948165 0.00570216  0.02882     118 SER   A HB3  
3383 N N    . LEU   B 107 ? 0.274417 0.407683 0.176987  -0.0241745  -0.0189189  0.017307    119 LEU   A N    
3384 C CA   . LEU   B 107 ? 0.273528 0.427237 0.182386  -0.0214253  -0.032197   0.0289595   119 LEU   A CA   
3385 C C    . LEU   B 107 ? 0.281262 0.44909  0.167535  -0.0209616  -0.0389954  0.0443554   119 LEU   A C    
3386 O O    . LEU   B 107 ? 0.287045 0.465694 0.150449  -0.0267581  -0.0355717  0.0369158   119 LEU   A O    
3387 C CB   . LEU   B 107 ? 0.309237 0.484521 0.230159  -0.0280969  -0.0401648  0.0147624   119 LEU   A CB   
3388 C CG   . LEU   B 107 ? 0.308713 0.474735 0.259337  -0.0289019  -0.0339748  0.00824466  119 LEU   A CG   
3389 C CD1  . LEU   B 107 ? 0.372705 0.559763 0.338904  -0.0395061  -0.0420059  -0.00739234 119 LEU   A CD1  
3390 C CD2  . LEU   B 107 ? 0.322796 0.492167 0.291069  -0.0179437  -0.0368642  0.0240191   119 LEU   A CD2  
3391 H H    . LEU   B 107 ? 0.276899 0.412579 0.177925  -0.0294369  -0.0170723  0.00333852  119 LEU   A H    
3392 H HA   . LEU   B 107 ? 0.269498 0.413671 0.19167   -0.0148414  -0.0317204  0.0373781   119 LEU   A HA   
3393 H HB2  . LEU   B 107 ? 0.314156 0.494631 0.224012  -0.0342883  -0.0397403  0.00167582  119 LEU   A HB2  
3394 H HB3  . LEU   B 107 ? 0.312583 0.505575 0.2341    -0.0260766  -0.0506706  0.0227236   119 LEU   A HB3  
3395 H HG   . LEU   B 107 ? 0.312017 0.458694 0.261751  -0.0292939  -0.0238831  0.00421632  119 LEU   A HG   
3396 H HD11 . LEU   B 107 ? 0.36292  0.546836 0.319589  -0.0456187  -0.0410894  -0.0204804  119 LEU   A HD11 
3397 H HD12 . LEU   B 107 ? 0.345953 0.529917 0.333417  -0.0410485  -0.0375881  -0.00825846 119 LEU   A HD12 
3398 H HD13 . LEU   B 107 ? 0.36228  0.570098 0.328233  -0.038577   -0.0530674  -0.00367944 119 LEU   A HD13 
3399 H HD21 . LEU   B 107 ? 0.309367 0.462001 0.27229   -0.0114506  -0.0316774  0.0311783   119 LEU   A HD21 
3400 H HD22 . LEU   B 107 ? 0.323352 0.509257 0.290512  -0.0159276  -0.0475451  0.0303638   119 LEU   A HD22 
3401 H HD23 . LEU   B 107 ? 0.308691 0.481508 0.296163  -0.0189071  -0.0336368  0.0203759   119 LEU   A HD23 
3402 N N    . PRO   B 108 ? 0.294064 0.468092 0.185782  -0.0143446  -0.05004    0.0656466   120 PRO   A N    
3403 C CA   . PRO   B 108 ? 0.294745 0.467169 0.213907  -0.00602044 -0.0567306  0.0701458   120 PRO   A CA   
3404 C C    . PRO   B 108 ? 0.293027 0.435767 0.228323  0.00361391  -0.0496407  0.0756771   120 PRO   A C    
3405 O O    . PRO   B 108 ? 0.280122 0.422663 0.238654  0.0123747   -0.0519631  0.0748878   120 PRO   A O    
3406 C CB   . PRO   B 108 ? 0.323633 0.517769 0.240757  -0.00187713 -0.0740946  0.0890897   120 PRO   A CB   
3407 C CG   . PRO   B 108 ? 0.34643  0.538762 0.236112  -0.00576621 -0.0725312  0.105193    120 PRO   A CG   
3408 C CD   . PRO   B 108 ? 0.332787 0.525505 0.203384  -0.0152458  -0.0590057  0.0852052   120 PRO   A CD   
3409 H HA   . PRO   B 108 ? 0.290558 0.470782 0.219542  -0.00906334 -0.0559566  0.0570422   120 PRO   A HA   
3410 H HB2  . PRO   B 108 ? 0.320014 0.50731  0.254762  0.00671703  -0.0786628  0.0980787   120 PRO   A HB2  
3411 H HB3  . PRO   B 108 ? 0.329331 0.54549  0.244902  -0.00554123 -0.0809923  0.0820222   120 PRO   A HB3  
3412 H HG2  . PRO   B 108 ? 0.340446 0.513082 0.237253  -0.001441   -0.0703191  0.116838    120 PRO   A HG2  
3413 H HG3  . PRO   B 108 ? 0.361338 0.573296 0.240522  -0.00622347 -0.0826743  0.11634     120 PRO   A HG3  
3414 H HD2  . PRO   B 108 ? 0.334825 0.518527 0.195779  -0.0165989  -0.0523744  0.0925776   120 PRO   A HD2  
3415 H HD3  . PRO   B 108 ? 0.343636 0.558397 0.200322  -0.0199314  -0.0631616  0.0775058   120 PRO   A HD3  
3416 N N    . LYS   B 109 ? 0.30588  0.426855 0.230446  0.00238614  -0.040615   0.0779243   121 LYS   A N    
3417 C CA   . LYS   B 109 ? 0.305165 0.399067 0.243676  0.0117644   -0.0370261  0.0813587   121 LYS   A CA   
3418 C C    . LYS   B 109 ? 0.293885 0.379432 0.244509  0.01599     -0.0271369  0.0647578   121 LYS   A C    
3419 O O    . LYS   B 109 ? 0.288331 0.367588 0.25621   0.0276508   -0.0283205  0.0644211   121 LYS   A O    
3420 C CB   . LYS   B 109 ? 0.322995 0.401368 0.248891  0.00712357  -0.0315235  0.0878103   121 LYS   A CB   
3421 C CG   . LYS   B 109 ? 0.343528 0.393153 0.284476  0.0158354   -0.030608   0.089403    121 LYS   A CG   
3422 C CD   . LYS   B 109 ? 0.366939 0.403299 0.302549  0.00990968  -0.0269754  0.0973226   121 LYS   A CD   
3423 C CE   . LYS   B 109 ? 0.43859  0.486045 0.366703  0.00213669  -0.0323314  0.119789    121 LYS   A CE   
3424 N NZ   . LYS   B 109 ? 0.464049 0.502381 0.409701  0.00874491  -0.0471295  0.139508    121 LYS   A NZ   
3425 H H    . LYS   B 109 ? 0.308234 0.43294  0.217321  -0.00404815 -0.037069   0.0760312   121 LYS   A H    
3426 H HA   . LYS   B 109 ? 0.3135   0.406948 0.263078  0.0187759   -0.0457749  0.0915892   121 LYS   A HA   
3427 H HB2  . LYS   B 109 ? 0.339541 0.426351 0.258294  0.00401247  -0.0370915  0.10126     121 LYS   A HB2  
3428 H HB3  . LYS   B 109 ? 0.31986  0.400122 0.235662  0.0013291   -0.0233896  0.0773487   121 LYS   A HB3  
3429 H HG2  . LYS   B 109 ? 0.330018 0.373909 0.27444   0.0191812   -0.0245436  0.0767008   121 LYS   A HG2  
3430 H HG3  . LYS   B 109 ? 0.347985 0.394332 0.301401  0.0228457   -0.0392284  0.0972353   121 LYS   A HG3  
3431 H HD2  . LYS   B 109 ? 0.365845 0.403967 0.292305  0.00549161  -0.0181227  0.0870166   121 LYS   A HD2  
3432 H HD3  . LYS   B 109 ? 0.372707 0.391109 0.320795  0.015915    -0.0291672  0.0968173   121 LYS   A HD3  
3433 H HE2  . LYS   B 109 ? 0.430205 0.497875 0.343915  -0.0026875  -0.0311961  0.119271    121 LYS   A HE2  
3434 H HE3  . LYS   B 109 ? 0.427579 0.469756 0.35398   -0.00277776 -0.0273373  0.122827    121 LYS   A HE3  
3435 H HZ1  . LYS   B 109 ? 0.460789 0.507678 0.4085    0.0134399   -0.0521262  0.137679    121 LYS   A HZ1  
3436 H HZ2  . LYS   B 109 ? 0.45824  0.477187 0.41856   0.0141212   -0.0491571  0.137019    121 LYS   A HZ2  
3437 H HZ3  . LYS   B 109 ? 0.475268 0.519336 0.416406  0.00311896  -0.0498289  0.156137    121 LYS   A HZ3  
3438 N N    . ILE   B 110 ? 0.251775 0.338013 0.194281  0.00756826  -0.0171935  0.0511576   122 ILE   A N    
3439 C CA   . ILE   B 110 ? 0.249056 0.32589  0.200155  0.00991804  -0.00678105 0.0405956   122 ILE   A CA   
3440 C C    . ILE   B 110 ? 0.252812 0.346946 0.212077  0.000912    -0.00487635 0.0311677   122 ILE   A C    
3441 O O    . ILE   B 110 ? 0.248143 0.34826  0.198537  -0.00948223 -0.00582723 0.0233286   122 ILE   A O    
3442 C CB   . ILE   B 110 ? 0.281061 0.336824 0.220481  0.00795416  0.00278538  0.0348651   122 ILE   A CB   
3443 C CG1  . ILE   B 110 ? 0.331936 0.372528 0.264783  0.0117538   0.00059607  0.0424289   122 ILE   A CG1  
3444 C CG2  . ILE   B 110 ? 0.270698 0.317318 0.216747  0.0114462   0.0124944   0.0282088   122 ILE   A CG2  
3445 C CD1  . ILE   B 110 ? 0.338939 0.3677   0.28352   0.0241377   -0.00406614 0.0471368   122 ILE   A CD1  
3446 H H    . ILE   B 110 ? 0.266751 0.359987 0.197893  0.00035686  -0.0171851  0.0489111   122 ILE   A H    
3447 H HA   . ILE   B 110 ? 0.252604 0.326879 0.213824  0.0186857   -0.00748848 0.0431121   122 ILE   A HA   
3448 H HB   . ILE   B 110 ? 0.283249 0.343766 0.215273  0.00016861  0.00414658  0.0298169   122 ILE   A HB   
3449 H HG12 . ILE   B 110 ? 0.328113 0.376704 0.255386  0.00760433  -0.00410217 0.0489511   122 ILE   A HG12 
3450 H HG13 . ILE   B 110 ? 0.318083 0.349472 0.245282  0.0097698   0.00648888  0.0373902   122 ILE   A HG13 
3451 H HG21 . ILE   B 110 ? 0.2704   0.302958 0.210231  0.0137133   0.0160788   0.0268278   122 ILE   A HG21 
3452 H HG22 . ILE   B 110 ? 0.269838 0.320629 0.224729  0.0184834   0.0118017   0.0306123   122 ILE   A HG22 
3453 H HG23 . ILE   B 110 ? 0.271844 0.323712 0.220382  0.00461727  0.0155281   0.0232229   122 ILE   A HG23 
3454 H HD11 . ILE   B 110 ? 0.331098 0.354647 0.278224  0.0290479   0.00105594  0.0404814   122 ILE   A HD11 
3455 H HD12 . ILE   B 110 ? 0.33976  0.357998 0.282862  0.0244257   -0.00649863 0.0517239   122 ILE   A HD12 
3456 H HD13 . ILE   B 110 ? 0.339805 0.377366 0.292182  0.0274761   -0.0103471  0.051951    122 ILE   A HD13 
3457 N N    . PRO   B 111 ? 0.257562 0.362205 0.236699  0.00425184  -0.00216807 0.0303984   123 PRO   A N    
3458 C CA   . PRO   B 111 ? 0.261931 0.383931 0.256268  -0.00655713 -0.0012724  0.0233846   123 PRO   A CA   
3459 C C    . PRO   B 111 ? 0.243593 0.348166 0.235964  -0.0145605  0.00973454  0.0160767   123 PRO   A C    
3460 O O    . PRO   B 111 ? 0.277612 0.36071  0.258207  -0.00949443 0.0172134   0.0172879   123 PRO   A O    
3461 C CB   . PRO   B 111 ? 0.28471  0.427338 0.303569  0.00133137  -0.00117168 0.0285987   123 PRO   A CB   
3462 C CG   . PRO   B 111 ? 0.292159 0.418002 0.304498  0.015822    0.00550975  0.0326631   123 PRO   A CG   
3463 C CD   . PRO   B 111 ? 0.281086 0.385226 0.271959  0.0186558   -0.00031389 0.0353491   123 PRO   A CD   
3464 H HA   . PRO   B 111 ? 0.268941 0.401816 0.260051  -0.0123725  -0.00928333 0.0206845   123 PRO   A HA   
3465 H HB2  . PRO   B 111 ? 0.279972 0.431251 0.312777  -0.00482041 0.00409933  0.0260923   123 PRO   A HB2  
3466 H HB3  . PRO   B 111 ? 0.284445 0.441734 0.308671  0.00360939  -0.0108462  0.0314009   123 PRO   A HB3  
3467 H HG2  . PRO   B 111 ? 0.283573 0.401827 0.294578  0.0146491   0.0152034   0.0309335   123 PRO   A HG2  
3468 H HG3  . PRO   B 111 ? 0.285968 0.423672 0.310535  0.0249315   0.00356655  0.0352334   123 PRO   A HG3  
3469 H HD2  . PRO   B 111 ? 0.274507 0.362485 0.25817   0.0232271   0.00531465  0.0344072   123 PRO   A HD2  
3470 H HD3  . PRO   B 111 ? 0.280834 0.389094 0.274651  0.0246331   -0.00870416 0.0407389   123 PRO   A HD3  
3471 N N    . SER   B 112 ? 0.269296 0.384041 0.277183  -0.0270584  0.00867589  0.00871731  124 SER   A N    
3472 C CA   . SER   B 112 ? 0.283928 0.382318 0.29934   -0.0358524  0.0171065   0.00366306  124 SER   A CA   
3473 C C    . SER   B 112 ? 0.265308 0.358948 0.289045  -0.0293329  0.0300152   0.0158161   124 SER   A C    
3474 O O    . SER   B 112 ? 0.249231 0.363305 0.285605  -0.0233529  0.0323258   0.0234637   124 SER   A O    
3475 C CB   . SER   B 112 ? 0.361252 0.475918 0.39955   -0.0509761  0.00956517  -0.00627491 124 SER   A CB   
3476 O OG   . SER   B 112 ? 0.456453 0.558475 0.515003  -0.0605048  0.0174408   -0.00578728 124 SER   A OG   
3477 H H    . SER   B 112 ? 0.270883 0.403312 0.286992  -0.0304293  0.00112423  0.00697062  124 SER   A H    
3478 H HA   . SER   B 112 ? 0.29182  0.374032 0.292576  -0.0356956  0.017958    -0.00149817 124 SER   A HA   
3479 H HB2  . SER   B 112 ? 0.368313 0.482377 0.396365  -0.0544445  0.00251127  -0.0168003  124 SER   A HB2  
3480 H HB3  . SER   B 112 ? 0.358362 0.494054 0.40892   -0.0504337  0.00550459  -0.00245103 124 SER   A HB3  
3482 N N    . ASN   B 113 ? 0.249672 0.318583 0.265046  -0.0290671  0.038137    0.0170275   125 ASN   A N    
3483 C CA   . ASN   B 113 ? 0.268502 0.333339 0.288226  -0.0247847  0.050404    0.0292774   125 ASN   A CA   
3484 C C    . ASN   B 113 ? 0.264638 0.338181 0.271851  -0.0075646  0.053692    0.0352217   125 ASN   A C    
3485 O O    . ASN   B 113 ? 0.275162 0.363368 0.289771  -0.00267183 0.0631178   0.0442752   125 ASN   A O    
3486 C CB   . ASN   B 113 ? 0.281524 0.360597 0.331323  -0.0380291  0.055166    0.0356892   125 ASN   A CB   
3487 C CG   . ASN   B 113 ? 0.309121 0.371771 0.373449  -0.0541898  0.0500029   0.0267548   125 ASN   A CG   
3488 O OD1  . ASN   B 113 ? 0.337686 0.416182 0.427714  -0.0673455  0.0439377   0.0214992   125 ASN   A OD1  
3489 N ND2  . ASN   B 113 ? 0.302604 0.33532  0.354895  -0.0525864  0.0519271   0.0246973   125 ASN   A ND2  
3490 H H    . ASN   B 113 ? 0.261187 0.316658 0.267054  -0.0310555  0.0357441   0.0101696   125 ASN   A H    
3491 H HA   . ASN   B 113 ? 0.271157 0.316192 0.282093  -0.0244878  0.0528554   0.0287569   125 ASN   A HA   
3492 H HB2  . ASN   B 113 ? 0.279893 0.381008 0.34143   -0.0388584  0.0522233   0.035379    125 ASN   A HB2  
3493 H HB3  . ASN   B 113 ? 0.287346 0.36654  0.338207  -0.0350706  0.0644936   0.046473    125 ASN   A HB3  
3494 H HD21 . ASN   B 113 ? 0.316788 0.337702 0.377195  -0.0601224  0.0480465   0.0168465   125 ASN   A HD21 
3495 H HD22 . ASN   B 113 ? 0.303758 0.328399 0.341383  -0.0436275  0.0565539   0.0304282   125 ASN   A HD22 
3496 N N    . ALA   B 114 ? 0.250258 0.314112 0.239167  0.00145197  0.0462832   0.0297835   126 ALA   A N    
3497 C CA   . ALA   B 114 ? 0.258572 0.325869 0.239423  0.0178789   0.0458107   0.0316529   126 ALA   A CA   
3498 C C    . ALA   B 114 ? 0.249484 0.299799 0.213671  0.0275549   0.0522952   0.0330577   126 ALA   A C    
3499 O O    . ALA   B 114 ? 0.262504 0.291946 0.215415  0.0246455   0.0516277   0.0309846   126 ALA   A O    
3500 C CB   . ALA   B 114 ? 0.264395 0.328412 0.239199  0.0217028   0.0340491   0.02841     126 ALA   A CB   
3501 H H    . ALA   B 114 ? 0.254859 0.310003 0.237624  -0.00292357 0.0413403   0.0245173   126 ALA   A H    
3502 H HA   . ALA   B 114 ? 0.255824 0.341684 0.24855   0.0208959   0.0487668   0.0345507   126 ALA   A HA   
3503 H HB1  . ALA   B 114 ? 0.261462 0.338614 0.245256  0.0166981   0.0291232   0.028459    126 ALA   A HB1  
3504 H HB2  . ALA   B 114 ? 0.261516 0.31109  0.22566   0.0185119   0.0322376   0.0261433   126 ALA   A HB2  
3505 H HB3  . ALA   B 114 ? 0.261597 0.325762 0.235189  0.0325755   0.0325784   0.0288438   126 ALA   A HB3  
3506 N N    . THR   B 115 ? 0.247593 0.311408 0.210953  0.0411828   0.0574918   0.0348495   127 THR   A N    
3507 C CA   . THR   B 115 ? 0.266163 0.319392 0.211064  0.0542048   0.0601444   0.0330347   127 THR   A CA   
3508 C C    . THR   B 115 ? 0.264225 0.307865 0.204472  0.0662989   0.0485866   0.0231256   127 THR   A C    
3509 O O    . THR   B 115 ? 0.263224 0.318419 0.215815  0.071721    0.0433064   0.0203672   127 THR   A O    
3510 C CB   . THR   B 115 ? 0.280834 0.357688 0.224872  0.0635049   0.0720612   0.0381266   127 THR   A CB   
3511 O OG1  . THR   B 115 ? 0.277576 0.357997 0.229179  0.0491846   0.0817308   0.0512461   127 THR   A OG1  
3512 C CG2  . THR   B 115 ? 0.312646 0.382933 0.233502  0.0791499   0.0728644   0.0337125   127 THR   A CG2  
3513 H H    . THR   B 115 ? 0.251548 0.333687 0.226387  0.042912    0.0589767   0.0359973   127 THR   A H    
3514 H HA   . THR   B 115 ? 0.266179 0.304354 0.20341   0.0495195   0.0608523   0.0347232   127 THR   A HA   
3515 H HB   . THR   B 115 ? 0.281541 0.376568 0.236434  0.0682251   0.0724126   0.0358593   127 THR   A HB   
3517 H HG21 . THR   B 115 ? 0.31628  0.405163 0.233981  0.0847984   0.0817502   0.0379439   127 THR   A HG21 
3518 H HG22 . THR   B 115 ? 0.307808 0.361452 0.219964  0.0747682   0.0717489   0.0365419   127 THR   A HG22 
3519 H HG23 . THR   B 115 ? 0.305383 0.370853 0.224183  0.0882138   0.0650749   0.0236175   127 THR   A HG23 
3520 N N    . LEU   B 116 ? 0.270753 0.292634 0.197487  0.0691113   0.0436732   0.0189466   128 LEU   A N    
3521 C CA   . LEU   B 116 ? 0.284686 0.293233 0.211619  0.0772364   0.0316297   0.0109524   128 LEU   A CA   
3522 C C    . LEU   B 116 ? 0.293118 0.297746 0.20861   0.0931197   0.0298055   0.00140031  128 LEU   A C    
3523 O O    . LEU   B 116 ? 0.304652 0.310585 0.205333  0.0956141   0.036364    0.0029315   128 LEU   A O    
3524 C CB   . LEU   B 116 ? 0.296468 0.287038 0.222007  0.0657563   0.0260276   0.0129091   128 LEU   A CB   
3525 C CG   . LEU   B 116 ? 0.348948 0.343919 0.283729  0.0544271   0.0218308   0.0185131   128 LEU   A CG   
3526 C CD1  . LEU   B 116 ? 0.322476 0.332073 0.261368  0.0447528   0.0279533   0.0222035   128 LEU   A CD1  
3527 C CD2  . LEU   B 116 ? 0.369237 0.35067  0.300506  0.0460354   0.0173358   0.0198599   128 LEU   A CD2  
3528 H H    . LEU   B 116 ? 0.274191 0.28919  0.193801  0.0655969   0.0473453   0.0216082   128 LEU   A H    
3529 H HA   . LEU   B 116 ? 0.283923 0.299555 0.221177  0.0799598   0.0277405   0.0103518   128 LEU   A HA   
3530 H HB2  . LEU   B 116 ? 0.302418 0.289606 0.221772  0.0609071   0.0311728   0.0146689   128 LEU   A HB2  
3531 H HB3  . LEU   B 116 ? 0.307652 0.28775  0.232268  0.0709097   0.0196244   0.00853419  128 LEU   A HB3  
3532 H HG   . LEU   B 116 ? 0.338782 0.336784 0.281045  0.060034    0.0160804   0.0186091   128 LEU   A HG   
3533 H HD11 . LEU   B 116 ? 0.330067 0.352096 0.275864  0.0492823   0.0293411   0.0228726   128 LEU   A HD11 
3534 H HD12 . LEU   B 116 ? 0.327718 0.339237 0.26837   0.0373783   0.0242113   0.0240842   128 LEU   A HD12 
3535 H HD13 . LEU   B 116 ? 0.329387 0.335597 0.263818  0.0411229   0.0339483   0.0220024   128 LEU   A HD13 
3536 H HD21 . LEU   B 116 ? 0.36452  0.336741 0.297304  0.0514615   0.0122204   0.0178195   128 LEU   A HD21 
3537 H HD22 . LEU   B 116 ? 0.360109 0.33863  0.28587   0.041728    0.0223528   0.0183962   128 LEU   A HD22 
3538 H HD23 . LEU   B 116 ? 0.360673 0.347427 0.294997  0.0399182   0.014462    0.0242498   128 LEU   A HD23 
3539 N N    . PHE   B 117 ? 0.296108 0.294151 0.219477  0.103814    0.0186299   -0.00857472 129 PHE   A N    
3540 C CA   . PHE   B 117 ? 0.311528 0.30412  0.226972  0.119943    0.0122784   -0.0234539  129 PHE   A CA   
3541 C C    . PHE   B 117 ? 0.327496 0.294609 0.254111  0.117774    -0.00351501 -0.0290043  129 PHE   A C    
3542 O O    . PHE   B 117 ? 0.346222 0.305586 0.290709  0.112787    -0.0107807  -0.024037   129 PHE   A O    
3543 C CB   . PHE   B 117 ? 0.312078 0.323585 0.231636  0.137907    0.0135862   -0.0346561  129 PHE   A CB   
3544 C CG   . PHE   B 117 ? 0.339014 0.345234 0.250013  0.156381    0.00451872  -0.055574   129 PHE   A CG   
3545 C CD1  . PHE   B 117 ? 0.376704 0.398993 0.26222   0.165758    0.0124961   -0.0602401  129 PHE   A CD1  
3546 C CD2  . PHE   B 117 ? 0.37363  0.35901  0.30274   0.16366     -0.0129952  -0.069624   129 PHE   A CD2  
3547 C CE1  . PHE   B 117 ? 0.403352 0.424233 0.278159  0.18372     0.00247205  -0.0825637  129 PHE   A CE1  
3548 C CE2  . PHE   B 117 ? 0.402168 0.380756 0.324867  0.17911     -0.02373    -0.0920599  129 PHE   A CE2  
3549 C CZ   . PHE   B 117 ? 0.411681 0.410153 0.306139  0.190148    -0.0161146  -0.100353   129 PHE   A CZ   
3550 H H    . PHE   B 117 ? 0.293735 0.29018  0.228731  0.101112    0.0136987   -0.00643243 129 PHE   A H    
3551 H HA   . PHE   B 117 ? 0.314943 0.309632 0.216042  0.120562    0.0172114   -0.022704   129 PHE   A HA   
3552 H HB2  . PHE   B 117 ? 0.315791 0.346495 0.228926  0.138159    0.0250523   -0.029399   129 PHE   A HB2  
3553 H HB3  . PHE   B 117 ? 0.313682 0.323548 0.249307  0.137764    0.00849645  -0.034085   129 PHE   A HB3  
3554 H HD1  . PHE   B 117 ? 0.367308 0.402584 0.243211  0.160418    0.024118    -0.0483784  129 PHE   A HD1  
3555 H HD2  . PHE   B 117 ? 0.362545 0.336535 0.308054  0.15642     -0.0186511  -0.0629272  129 PHE   A HD2  
3556 H HE1  . PHE   B 117 ? 0.413852 0.448164 0.268509  0.190776    0.00736683  -0.0850725  129 PHE   A HE1  
3557 H HE2  . PHE   B 117 ? 0.409022 0.37158  0.347499  0.183551    -0.0366206  -0.10234    129 PHE   A HE2  
3558 H HZ   . PHE   B 117 ? 0.429995 0.426655 0.318867  0.202062    -0.0244443  -0.117876   129 PHE   A HZ   
3559 N N    . PHE   B 118 ? 0.331311 0.286903 0.250117  0.120987    -0.00978831 -0.0374988  130 PHE   A N    
3560 C CA   . PHE   B 118 ? 0.333429 0.267258 0.269164  0.118874    -0.0255516  -0.0436208  130 PHE   A CA   
3561 C C    . PHE   B 118 ? 0.365122 0.293143 0.297922  0.134836    -0.037514   -0.0656702  130 PHE   A C    
3562 O O    . PHE   B 118 ? 0.344581 0.284582 0.254931  0.143204    -0.0328337  -0.0720556  130 PHE   A O    
3563 C CB   . PHE   B 118 ? 0.309111 0.233767 0.246917  0.102809    -0.0253993  -0.0335292  130 PHE   A CB   
3564 C CG   . PHE   B 118 ? 0.280771 0.209728 0.222098  0.0863305   -0.0168206  -0.015629   130 PHE   A CG   
3565 C CD1  . PHE   B 118 ? 0.285697 0.227353 0.21308   0.0811309   -0.00327897 -0.00842644 130 PHE   A CD1  
3566 C CD2  . PHE   B 118 ? 0.279875 0.200721 0.238907  0.0761953   -0.0233808  -0.00620703 130 PHE   A CD2  
3567 C CE1  . PHE   B 118 ? 0.258466 0.204993 0.188576  0.0670412   0.00246112  0.00294712  130 PHE   A CE1  
3568 C CE2  . PHE   B 118 ? 0.276545 0.20607  0.233971  0.0624769   -0.016082   0.00832508  130 PHE   A CE2  
3569 C CZ   . PHE   B 118 ? 0.270069 0.212632 0.212576  0.058567    -0.00377243 0.0103173   130 PHE   A CZ   
3570 H H    . PHE   B 118 ? 0.334279 0.296245 0.23865   0.1241      -0.00478834 -0.0385952  130 PHE   A H    
3571 H HA   . PHE   B 118 ? 0.334813 0.263803 0.285486  0.117691    -0.0302151  -0.0408534  130 PHE   A HA   
3572 H HB2  . PHE   B 118 ? 0.309205 0.238268 0.233731  0.104848    -0.0214281  -0.0355831  130 PHE   A HB2  
3573 H HB3  . PHE   B 118 ? 0.315192 0.227773 0.266171  0.101658    -0.0357616  -0.03773    130 PHE   A HB3  
3574 H HD1  . PHE   B 118 ? 0.281432 0.228531 0.197797  0.087072    0.00144579  -0.0114657  130 PHE   A HD1  
3575 H HD2  . PHE   B 118 ? 0.291095 0.201105 0.263202  0.0784946   -0.0332166  -0.00948136 130 PHE   A HD2  
3576 H HE1  . PHE   B 118 ? 0.260151 0.213395 0.183652  0.0633563   0.0101766   0.00579509  130 PHE   A HE1  
3577 H HE2  . PHE   B 118 ? 0.277867 0.20466  0.244837  0.0558332   -0.0201156  0.0166882   130 PHE   A HE2  
3578 H HZ   . PHE   B 118 ? 0.261447 0.210463 0.202826  0.0499968   -0.00010712 0.0171425   130 PHE   A HZ   
3579 N N    . GLU   B 119 ? 0.374965 0.283958 0.331325  0.137434    -0.0539999  -0.0756215  131 GLU   A N    
3580 C CA   . GLU   B 119 ? 0.410769 0.308551 0.371635  0.146807    -0.0698451  -0.0971454  131 GLU   A CA   
3581 C C    . GLU   B 119 ? 0.430274 0.310023 0.412845  0.129057    -0.078857   -0.0879315  131 GLU   A C    
3582 O O    . GLU   B 119 ? 0.428366 0.295323 0.434977  0.117083    -0.0821298  -0.073652   131 GLU   A O    
3583 C CB   . GLU   B 119 ? 0.400675 0.290129 0.377352  0.164557    -0.0832083  -0.119259   131 GLU   A CB   
3584 C CG   . GLU   B 119 ? 0.429787 0.305925 0.415145  0.175583    -0.103311   -0.147425   131 GLU   A CG   
3585 C CD   . GLU   B 119 ? 0.438191 0.307749 0.438435  0.196163    -0.115111   -0.172751   131 GLU   A CD   
3586 O OE1  . GLU   B 119 ? 0.469262 0.361121 0.45001   0.217601    -0.108649   -0.190605   131 GLU   A OE1  
3587 O OE2  . GLU   B 119 ? 0.485781 0.325527 0.52429   0.191008    -0.132371   -0.174478   131 GLU   A OE2  
3588 H H    . GLU   B 119 ? 0.376651 0.279036 0.348291  0.132969    -0.0564891  -0.0685614  131 GLU   A H    
3589 H HA   . GLU   B 119 ? 0.407209 0.316951 0.347247  0.15324     -0.0657101  -0.103119   131 GLU   A HA   
3590 H HB2  . GLU   B 119 ? 0.411389 0.31773  0.373701  0.175832    -0.0749123  -0.124211   131 GLU   A HB2  
3591 H HB3  . GLU   B 119 ? 0.4067   0.283772 0.404554  0.158574    -0.0874138  -0.110739   131 GLU   A HB3  
3592 H HG2  . GLU   B 119 ? 0.423592 0.282799 0.428968  0.163778    -0.112527   -0.142455   131 GLU   A HG2  
3593 H HG3  . GLU   B 119 ? 0.427981 0.317581 0.390815  0.181572    -0.100402   -0.155087   131 GLU   A HG3  
3594 N N    . ILE   B 120 ? 0.377048 0.259241 0.351612  0.128256    -0.0829074  -0.0950522  132 ILE   A N    
3595 C CA   . ILE   B 120 ? 0.370599 0.243865 0.366274  0.111422    -0.0885264  -0.0859808  132 ILE   A CA   
3596 C C    . ILE   B 120 ? 0.404417 0.269158 0.414288  0.117314    -0.108691   -0.108113   132 ILE   A C    
3597 O O    . ILE   B 120 ? 0.424329 0.299886 0.411313  0.131932    -0.111985   -0.124893   132 ILE   A O    
3598 C CB   . ILE   B 120 ? 0.343982 0.232066 0.322103  0.102564    -0.0734031  -0.0709436  132 ILE   A CB   
3599 C CG1  . ILE   B 120 ? 0.338079 0.23604  0.300173  0.0982715   -0.0549495  -0.054062   132 ILE   A CG1  
3600 C CG2  . ILE   B 120 ? 0.377133 0.26116  0.381757  0.0856839   -0.077816   -0.0621897  132 ILE   A CG2  
3601 C CD1  . ILE   B 120 ? 0.341392 0.250584 0.288469  0.0910602   -0.0410072  -0.0422257  132 ILE   A CD1  
3602 H H    . ILE   B 120 ? 0.396842 0.288817 0.352823  0.138939    -0.0820195  -0.105266   132 ILE   A H    
3603 H HA   . ILE   B 120 ? 0.369459 0.233718 0.38411   0.101893    -0.0897676  -0.0754033  132 ILE   A HA   
3604 H HB   . ILE   B 120 ? 0.359879 0.255167 0.321624  0.11171     -0.074184   -0.0796767  132 ILE   A HB   
3605 H HG12 . ILE   B 120 ? 0.335787 0.22853  0.311827  0.0900829   -0.0549377  -0.0451785  132 ILE   A HG12 
3606 H HG13 . ILE   B 120 ? 0.346001 0.248828 0.295474  0.108839    -0.0526788  -0.0599915  132 ILE   A HG13 
3607 H HG21 . ILE   B 120 ? 0.35096  0.244114 0.34763   0.0797457   -0.0671501  -0.0520915  132 ILE   A HG21 
3608 H HG22 . ILE   B 120 ? 0.365246 0.241064 0.388689  0.077609    -0.080628   -0.0550086  132 ILE   A HG22 
3609 H HG23 . ILE   B 120 ? 0.374055 0.256202 0.385876  0.0892084   -0.0886424  -0.0738651  132 ILE   A HG23 
3610 H HD11 . ILE   B 120 ? 0.341211 0.254117 0.277169  0.0983394   -0.04266    -0.0486279  132 ILE   A HD11 
3611 H HD12 . ILE   B 120 ? 0.328978 0.243954 0.266091  0.0901345   -0.0312039  -0.0351178  132 ILE   A HD12 
3612 H HD13 . ILE   B 120 ? 0.328233 0.235938 0.288055  0.0804117   -0.0406501  -0.0354955  132 ILE   A HD13 
3613 N N    . GLU   B 121 ? 0.413471 0.260913 0.46171   0.104516    -0.121872   -0.105656   133 GLU   A N    
3614 C CA   . GLU   B 121 ? 0.424792 0.264529 0.496233  0.104042    -0.142086   -0.123769   133 GLU   A CA   
3615 C C    . GLU   B 121 ? 0.412148 0.259825 0.501828  0.0845859   -0.138028   -0.106398   133 GLU   A C    
3616 O O    . GLU   B 121 ? 0.411764 0.255245 0.52449   0.0668802   -0.1321     -0.0842524  133 GLU   A O    
3617 C CB   . GLU   B 121 ? 0.458332 0.270932 0.568709  0.103663    -0.162301   -0.135276   133 GLU   A CB   
3618 C CG   . GLU   B 121 ? 0.48208  0.28448  0.625024  0.100293    -0.186075   -0.155219   133 GLU   A CG   
3619 C CD   . GLU   B 121 ? 0.529553 0.299988 0.719338  0.0976751   -0.208693   -0.166602   133 GLU   A CD   
3620 O OE1  . GLU   B 121 ? 0.528464 0.283216 0.726774  0.0991525   -0.206503   -0.157274   133 GLU   A OE1  
3621 O OE2  . GLU   B 121 ? 0.56672  0.32605  0.789498  0.0937672   -0.230707   -0.184885   133 GLU   A OE2  
3622 H H    . GLU   B 121 ? 0.405458 0.246532 0.467193  0.0950674   -0.118468   -0.0911348  133 GLU   A H    
3623 H HA   . GLU   B 121 ? 0.437458 0.285768 0.488976  0.117227    -0.145865   -0.140386   133 GLU   A HA   
3624 H HB2  . GLU   B 121 ? 0.469032 0.278531 0.568067  0.118285    -0.164603   -0.14882    133 GLU   A HB2  
3625 H HB3  . GLU   B 121 ? 0.450353 0.255233 0.578271  0.0910754   -0.158016   -0.115677   133 GLU   A HB3  
3626 H HG2  . GLU   B 121 ? 0.473325 0.282669 0.628338  0.086165    -0.182645   -0.141585   133 GLU   A HG2  
3627 H HG3  . GLU   B 121 ? 0.494686 0.306324 0.617877  0.11392     -0.191526   -0.175534   133 GLU   A HG3  
3628 N N    . LEU   B 122 ? 0.451842 0.313335 0.533242  0.0891159   -0.142958   -0.117579   134 LEU   A N    
3629 C CA   . LEU   B 122 ? 0.433913 0.307021 0.537049  0.0732335   -0.140176   -0.104753   134 LEU   A CA   
3630 C C    . LEU   B 122 ? 0.436782 0.298201 0.587812  0.0636164   -0.162525   -0.115429   134 LEU   A C    
3631 O O    . LEU   B 122 ? 0.500066 0.360106 0.654014  0.0745267   -0.182035   -0.141154   134 LEU   A O    
3632 C CB   . LEU   B 122 ? 0.397153 0.29056  0.474894  0.0828332   -0.136561   -0.109637   134 LEU   A CB   
3633 C CG   . LEU   B 122 ? 0.398848 0.308039 0.502571  0.0695338   -0.134297   -0.0995728  134 LEU   A CG   
3634 C CD1  . LEU   B 122 ? 0.395342 0.309401 0.510173  0.0520326   -0.114222   -0.0739341  134 LEU   A CD1  
3635 C CD2  . LEU   B 122 ? 0.41825  0.344198 0.494479  0.0834507   -0.132615   -0.104443   134 LEU   A CD2  
3636 H H    . LEU   B 122 ? 0.451009 0.31673  0.513248  0.102905    -0.148084   -0.133093   134 LEU   A H    
3637 H HA   . LEU   B 122 ? 0.410571 0.286118 0.51723   0.0622664   -0.126981   -0.085589   134 LEU   A HA   
3638 H HB2  . LEU   B 122 ? 0.397331 0.295522 0.447731  0.087812    -0.122742   -0.101689   134 LEU   A HB2  
3639 H HB3  . LEU   B 122 ? 0.424144 0.317275 0.494736  0.0945195   -0.149885   -0.128004   134 LEU   A HB3  
3640 H HG   . LEU   B 122 ? 0.413679 0.320291 0.546436  0.0643871   -0.148891   -0.107976   134 LEU   A HG   
3641 H HD11 . LEU   B 122 ? 0.394684 0.300518 0.533458  0.0417732   -0.118425   -0.0690873  134 LEU   A HD11 
3642 H HD12 . LEU   B 122 ? 0.381085 0.309637 0.504731  0.047425    -0.109296   -0.0689316  134 LEU   A HD12 
3643 H HD13 . LEU   B 122 ? 0.382406 0.294773 0.472321  0.0559803   -0.102454   -0.0674671  134 LEU   A HD13 
3644 H HD21 . LEU   B 122 ? 0.427336 0.351719 0.489706  0.0958259   -0.144286   -0.119491   134 LEU   A HD21 
3645 H HD22 . LEU   B 122 ? 0.400872 0.329058 0.454588  0.085757    -0.117782   -0.0938877  134 LEU   A HD22 
3646 H HD23 . LEU   B 122 ? 0.407253 0.344015 0.503626  0.0778304   -0.135163   -0.102682   134 LEU   A HD23 
3647 N N    . LEU   B 123 ? 0.430565 0.286653 0.619317  0.0424731   -0.159749   -0.0947596  135 LEU   A N    
3648 C CA   . LEU   B 123 ? 0.466924 0.309503 0.70839   0.029936    -0.180762   -0.100673   135 LEU   A CA   
3649 C C    . LEU   B 123 ? 0.442689 0.307553 0.709694  0.0200313   -0.185069   -0.101775   135 LEU   A C    
3650 O O    . LEU   B 123 ? 0.446477 0.306673 0.746226  0.0187465   -0.208475   -0.121714   135 LEU   A O    
3651 C CB   . LEU   B 123 ? 0.515924 0.345705 0.786564  0.0106489   -0.174297   -0.0719433  135 LEU   A CB   
3652 C CG   . LEU   B 123 ? 0.531716 0.342217 0.780812  0.0201784   -0.169815   -0.067231   135 LEU   A CG   
3653 C CD1  . LEU   B 123 ? 0.595907 0.400907 0.866089  0.00133065  -0.160619   -0.032533   135 LEU   A CD1  
3654 C CD2  . LEU   B 123 ? 0.581087 0.365035 0.842759  0.0350291   -0.194407   -0.0977692  135 LEU   A CD2  
3655 H H    . LEU   B 123 ? 0.421178 0.283176 0.60333   0.0352206   -0.14459    -0.0759714  135 LEU   A H    
3656 H HA   . LEU   B 123 ? 0.488698 0.317032 0.731516  0.0407801   -0.196845   -0.122263   135 LEU   A HA   
3657 H HB2  . LEU   B 123 ? 0.489274 0.336811 0.758105  0.0001844   -0.158753   -0.0524329  135 LEU   A HB2  
3658 H HB3  . LEU   B 123 ? 0.523967 0.342247 0.833342  0.001197    -0.188978   -0.074163   135 LEU   A HB3  
3659 H HG   . LEU   B 123 ? 0.528136 0.349975 0.740129  0.0304966   -0.157251   -0.0685026  135 LEU   A HG   
3660 H HD11 . LEU   B 123 ? 0.557773 0.382926 0.82556   -0.00938591 -0.146987   -0.0161422  135 LEU   A HD11 
3661 H HD12 . LEU   B 123 ? 0.572221 0.371335 0.822543  0.00859348  -0.154944   -0.0281044  135 LEU   A HD12 
3662 H HD13 . LEU   B 123 ? 0.593781 0.382224 0.900687  -0.00723057 -0.174334   -0.030509   135 LEU   A HD13 
3663 H HD21 . LEU   B 123 ? 0.572717 0.364482 0.808088  0.0503005   -0.196247   -0.118012   135 LEU   A HD21 
3664 H HD22 . LEU   B 123 ? 0.589975 0.364412 0.888254  0.0260737   -0.209262   -0.102449   135 LEU   A HD22 
3665 H HD23 . LEU   B 123 ? 0.582185 0.351484 0.842848  0.038885    -0.19429    -0.0933136  135 LEU   A HD23 
3666 N N    . ASP   B 124 ? 0.407463 0.297977 0.662546  0.0134486   -0.16334    -0.0820057  136 ASP   A N    
3667 C CA   . ASP   B 124 ? 0.413834 0.330219 0.69805   0.00347869  -0.16391    -0.0794656  136 ASP   A CA   
3668 C C    . ASP   B 124 ? 0.389897 0.333238 0.651261  0.00259249  -0.137563   -0.0618787  136 ASP   A C    
3669 O O    . ASP   B 124 ? 0.398857 0.339785 0.630338  0.00327985  -0.118723   -0.0472662  136 ASP   A O    
3670 C CB   . ASP   B 124 ? 0.405695 0.321776 0.750706  -0.0210592  -0.171044   -0.0658444  136 ASP   A CB   
3671 C CG   . ASP   B 124 ? 0.435847 0.374005 0.823914  -0.0284861  -0.184679   -0.0760264  136 ASP   A CG   
3672 O OD1  . ASP   B 124 ? 0.43818  0.390304 0.806766  -0.0118996  -0.191907   -0.0963184  136 ASP   A OD1  
3673 O OD2  . ASP   B 124 ? 0.515662 0.457542 0.95767   -0.0507201  -0.188937   -0.0623723  136 ASP   A OD2  
3674 H H    . ASP   B 124 ? 0.400696 0.293422 0.630364  0.015744    -0.148083   -0.0709397  136 ASP   A H    
3675 H HA   . ASP   B 124 ? 0.41612  0.33512  0.697605  0.013833    -0.177599   -0.0989128  136 ASP   A HA   
3676 H HB2  . ASP   B 124 ? 0.433261 0.32601  0.791801  -0.022543   -0.183854   -0.0708499  136 ASP   A HB2  
3677 H HB3  . ASP   B 124 ? 0.404957 0.330759 0.752224  -0.0321862  -0.154103   -0.043411   136 ASP   A HB3  
3678 N N    . PHE   B 125 ? 0.373734 0.343537 0.652116  0.00219169  -0.138249   -0.0659591  137 PHE   A N    
3679 C CA   . PHE   B 125 ? 0.350291 0.347027 0.619636  0.00054665  -0.115399   -0.0521371  137 PHE   A CA   
3680 C C    . PHE   B 125 ? 0.328419 0.357077 0.644638  -0.00927094 -0.117726   -0.0514217  137 PHE   A C    
3681 O O    . PHE   B 125 ? 0.339145 0.370491 0.684001  -0.00807515 -0.139767   -0.0671555  137 PHE   A O    
3682 C CB   . PHE   B 125 ? 0.365311 0.359153 0.584118  0.022327    -0.109419   -0.0609152  137 PHE   A CB   
3683 C CG   . PHE   B 125 ? 0.397985 0.391483 0.606445  0.0405314   -0.129364   -0.0822561  137 PHE   A CG   
3684 C CD1  . PHE   B 125 ? 0.445577 0.417811 0.629292  0.0531      -0.144741   -0.0977368  137 PHE   A CD1  
3685 C CD2  . PHE   B 125 ? 0.361433 0.378385 0.582012  0.0471523   -0.132483   -0.0868524  137 PHE   A CD2  
3686 C CE1  . PHE   B 125 ? 0.488532 0.464983 0.656646  0.0708828   -0.16283    -0.116513   137 PHE   A CE1  
3687 C CE2  . PHE   B 125 ? 0.397899 0.416248 0.604056  0.0651264   -0.151452   -0.103443   137 PHE   A CE2  
3688 C CZ   . PHE   B 125 ? 0.469029 0.468033 0.645693  0.0769952   -0.166208   -0.117633   137 PHE   A CZ   
3689 H H    . PHE   B 125 ? 0.385492 0.356901 0.68258   0.00397062  -0.154352   -0.0792802  137 PHE   A H    
3690 H HA   . PHE   B 125 ? 0.345395 0.342059 0.61185   -0.00871776 -0.101543   -0.0362504  137 PHE   A HA   
3691 H HB2  . PHE   B 125 ? 0.352502 0.362055 0.568316  0.0214534   -0.0950937  -0.0532193  137 PHE   A HB2  
3692 H HB3  . PHE   B 125 ? 0.36467  0.342318 0.558059  0.0257095   -0.104967   -0.0583457  137 PHE   A HB3  
3693 H HD1  . PHE   B 125 ? 0.446509 0.403216 0.624175  0.0502442   -0.143362   -0.0958858  137 PHE   A HD1  
3694 H HD2  . PHE   B 125 ? 0.364057 0.397773 0.601433  0.0404635   -0.121124   -0.0781723  137 PHE   A HD2  
3695 H HE1  . PHE   B 125 ? 0.490705 0.455999 0.639781  0.0802446   -0.172204   -0.128016   137 PHE   A HE1  
3696 H HE2  . PHE   B 125 ? 0.403088 0.437692 0.619245  0.0701236   -0.154404   -0.105207   137 PHE   A HE2  
3697 H HZ   . PHE   B 125 ? 0.471758 0.474851 0.637148  0.0893384   -0.179768   -0.128957   137 PHE   A HZ   
3698 N N    . LYS   B 126 ? 0.310686 0.366184 0.638352  -0.0203923  -0.0951762  -0.0332401  138 LYS   A N    
3699 C CA   . LYS   B 126 ? 0.353347 0.446416 0.729785  -0.0312563  -0.0926234  -0.0296291  138 LYS   A CA   
3700 C C    . LYS   B 126 ? 0.359616 0.480771 0.718924  -0.0213317  -0.0710156  -0.0281332  138 LYS   A C    
3701 O O    . LYS   B 126 ? 0.281349 0.399454 0.605844  -0.0189127  -0.0515706  -0.019394   138 LYS   A O    
3702 C CB   . LYS   B 126 ? 0.32992  0.435649 0.751749  -0.0584139  -0.0864741  -0.00721982 138 LYS   A CB   
3703 H H    . LYS   B 126 ? 0.315112 0.367944 0.619823  -0.0208158  -0.0807271  -0.0235533  138 LYS   A H    
3704 H HA   . LYS   B 126 ? 0.348628 0.442381 0.741891  -0.0262977  -0.110223   -0.0437755  138 LYS   A HA   
3707 N N    . GLY   B 127 ? 0.417907 0.570666 0.811164  -0.0179562  -0.0747523  -0.0363572  139 GLY   A N    
3708 C CA   . GLY   B 127 ? 0.438229 0.620892 0.827266  -0.00841355 -0.0554453  -0.0369543  139 GLY   A CA   
3709 C C    . GLY   B 127 ? 0.491227 0.701092 0.887285  -0.0241677  -0.027688   -0.0181738  139 GLY   A C    
3710 O O    . GLY   B 127 ? 0.556954 0.775301 0.980522  -0.0457369  -0.0251498  -0.00144494 139 GLY   A O    
3711 H H    . GLY   B 127 ? 0.414147 0.57018  0.835446  -0.0210541  -0.0904368  -0.0429018  139 GLY   A H    
3712 H HA2  . GLY   B 127 ? 0.439427 0.605265 0.792783  0.00598594  -0.0540817  -0.0429485  139 GLY   A HA2  
3713 H HA3  . GLY   B 127 ? 0.44259  0.646149 0.860665  -0.00509661 -0.0625102  -0.0443067  139 GLY   A HA3  
3714 N N    . GLU   B 128 ? 0.569328 0.790554 0.937966  -0.0125452  -0.00816835 -0.0210761  140 GLU   A N    
3715 C CA   . GLU   B 128 ? 0.555285 0.810196 0.924345  -0.022039   0.0191893   -0.00901052 140 GLU   A CA   
3716 C C    . GLU   B 128 ? 0.567212 0.872332 0.996012  -0.036681   0.025071    -0.0012417  140 GLU   A C    
3717 O O    . GLU   B 128 ? 0.512532 0.826668 0.979111  -0.0320683  0.00782222  -0.012551   140 GLU   A O    
3718 C CB   . GLU   B 128 ? 0.584363 0.838804 0.919127  -0.00180795 0.0317604   -0.0231923  140 GLU   A CB   
3719 O OXT  . GLU   B 128 ? 0.574479 0.910432 1.01102   -0.0527513  0.0459012   0.0170331   140 GLU   A OXT  
3720 H H    . GLU   B 128 ? 0.540813 0.748198 0.889129  0.00259706  -0.0128055  -0.0318065  140 GLU   A H    
3721 H HA   . GLU   B 128 ? 0.56857  0.810621 0.921388  -0.0322559  0.0231258   0.00351554  140 GLU   A HA   
3724 C C4   A A1IOC C .   ? 0.45726  0.338418 0.324242  0.0401319   -0.01776    0.119182    201 A1IOC B C4   
3725 C C4   B A1IOC C .   ? 0.450466 0.332356 0.317765  0.0400684   -0.0180098  0.118349    201 A1IOC B C4   
3726 C C14  A A1IOC C .   ? 0.496344 0.382109 0.357364  0.0772905   -0.105391   0.0668129   201 A1IOC B C14  
3727 C C14  B A1IOC C .   ? 0.499121 0.384795 0.361349  0.0778679   -0.107025   0.0662682   201 A1IOC B C14  
3728 C C5   A A1IOC C .   ? 0.509269 0.367064 0.371259  0.0454952   -0.0217236  0.136451    201 A1IOC B C5   
3729 C C5   B A1IOC C .   ? 0.496248 0.355191 0.359656  0.0456922   -0.0233911  0.134305    201 A1IOC B C5   
3730 C C6   A A1IOC C .   ? 0.587687 0.428554 0.402805  0.0622747   -0.0278218  0.152157    201 A1IOC B C6   
3731 C C6   B A1IOC C .   ? 0.569293 0.411373 0.386488  0.0624448   -0.0299051  0.149712    201 A1IOC B C6   
3732 C C11  A A1IOC C .   ? 0.613713 0.448028 0.486954  0.0847605   -0.0975054  0.117881    201 A1IOC B C11  
3733 C C11  B A1IOC C .   ? 0.618246 0.459697 0.518334  0.0817622   -0.102642   0.107081    201 A1IOC B C11  
3734 C C7   A A1IOC C .   ? 0.572381 0.420808 0.345392  0.0735521   -0.0302098  0.147888    201 A1IOC B C7   
3735 C C7   B A1IOC C .   ? 0.561095 0.409976 0.335208  0.0735975   -0.0312774  0.146755    201 A1IOC B C7   
3736 C C8   A A1IOC C .   ? 0.652693 0.481155 0.354926  0.108327    -0.0671278  0.148618    201 A1IOC B C8   
3737 C C8   B A1IOC C .   ? 0.640909 0.470137 0.344399  0.108385    -0.0684164  0.14714     201 A1IOC B C8   
3738 C C9   A A1IOC C .   ? 0.695127 0.497126 0.536911  0.0659788   -0.0393923  0.171854    201 A1IOC B C9   
3739 C C9   B A1IOC C .   ? 0.641963 0.451459 0.494154  0.0647959   -0.0440984  0.162322    201 A1IOC B C9   
3740 C C10  A A1IOC C .   ? 0.715227 0.512005 0.549028  0.0839194   -0.0686089  0.163501    201 A1IOC B C10  
3741 C C10  B A1IOC C .   ? 0.646416 0.462746 0.499517  0.0781514   -0.0719955  0.144434    201 A1IOC B C10  
3742 C C12  A A1IOC C .   ? 0.562551 0.422766 0.448121  0.0766732   -0.0978632  0.0944853   201 A1IOC B C12  
3743 C C12  B A1IOC C .   ? 0.565141 0.429552 0.46404   0.0793531   -0.108507   0.0860414   201 A1IOC B C12  
3744 C C13  A A1IOC C .   ? 0.557674 0.424529 0.40933   0.0809329   -0.0982392  0.090366    201 A1IOC B C13  
3745 C C13  B A1IOC C .   ? 0.546692 0.416563 0.414663  0.0775525   -0.0987662  0.0863725   201 A1IOC B C13  
3746 N N1   A A1IOC C .   ? 0.366878 0.274311 0.304795  0.0281738   -0.0404024  0.0715409   201 A1IOC B N1   
3747 N N1   B A1IOC C .   ? 0.368607 0.276136 0.306307  0.0282828   -0.0405726  0.0713775   201 A1IOC B N1   
3748 C C3   A A1IOC C .   ? 0.47302  0.359923 0.30136   0.0509683   -0.0196051  0.115987    201 A1IOC B C3   
3749 C C3   B A1IOC C .   ? 0.467666 0.355001 0.295678  0.0507843   -0.0188702  0.116126    201 A1IOC B C3   
3750 C C1   A A1IOC C .   ? 0.511751 0.404865 0.257366  0.0754904   -0.022181   0.107699    201 A1IOC B C1   
3751 C C1   B A1IOC C .   ? 0.507501 0.400573 0.252507  0.0756887   -0.0222294  0.107679    201 A1IOC B C1   
3752 O O1   A A1IOC C .   ? 0.548899 0.422846 0.286949  0.0804349   -0.0285334  0.124685    201 A1IOC B O1   
3753 O O1   B A1IOC C .   ? 0.544359 0.418335 0.281596  0.0802028   -0.0269424  0.125787    201 A1IOC B O1   
3754 C C2   A A1IOC C .   ? 0.529856 0.401071 0.311457  0.0673153   -0.0254146  0.129209    201 A1IOC B C2   
3755 C C2   B A1IOC C .   ? 0.522832 0.394278 0.304361  0.0671527   -0.0249161  0.129325    201 A1IOC B C2   
3756 O O2   A A1IOC C .   ? 0.641656 0.472478 0.361655  0.0921647   -0.0368706  0.162761    201 A1IOC B O2   
3757 O O2   B A1IOC C .   ? 0.630077 0.461127 0.351788  0.0922313   -0.038389   0.161586    201 A1IOC B O2   
3758 O O3   A A1IOC C .   ? 0.676434 0.490288 0.477153  0.0712825   -0.0324568  0.172697    201 A1IOC B O3   
3759 O O3   B A1IOC C .   ? 0.649859 0.465775 0.456433  0.071224    -0.0362588  0.168303    201 A1IOC B O3   
3760 O O4   A A1IOC C .   ? 0.654561 0.476053 0.485597  0.0859804   -0.0801421  0.139967    201 A1IOC B O4   
3761 O O4   B A1IOC C .   ? 0.620485 0.456784 0.520342  0.0676989   -0.0764984  0.120041    201 A1IOC B O4   
3762 C C15  A A1IOC C .   ? 0.4664   0.360741 0.3154    0.0686314   -0.0858431  0.065181    201 A1IOC B C15  
3763 C C15  B A1IOC C .   ? 0.471111 0.36447  0.319678  0.0693586   -0.0867795  0.0659326   201 A1IOC B C15  
3764 O O5   A A1IOC C .   ? 0.408176 0.308734 0.292447  0.0530248   -0.0686174  0.0669544   201 A1IOC B O5   
3765 O O5   B A1IOC C .   ? 0.411896 0.311742 0.296086  0.0535632   -0.0694776  0.0673026   201 A1IOC B O5   
3766 C C16  A A1IOC C .   ? 0.367419 0.2817   0.284302  0.042934    -0.0680737  0.0499808   201 A1IOC B C16  
3767 C C16  B A1IOC C .   ? 0.373153 0.287007 0.289162  0.0434894   -0.0687465  0.0501586   201 A1IOC B C16  
3768 O O6   A A1IOC C .   ? 0.359603 0.28071  0.283452  0.0441724   -0.0794435  0.0346065   201 A1IOC B O6   
3769 O O6   B A1IOC C .   ? 0.366598 0.287288 0.288786  0.0448412   -0.0800891  0.0347963   201 A1IOC B O6   
3770 C C17  A A1IOC C .   ? 0.350226 0.269256 0.294483  0.0293715   -0.051055   0.0525417   201 A1IOC B C17  
3771 C C17  B A1IOC C .   ? 0.352841 0.271643 0.296519  0.0298004   -0.0516673  0.0524874   201 A1IOC B C17  
3772 C C18  A A1IOC C .   ? 0.335732 0.259296 0.318876  0.0244581   -0.0571546  0.0400805   201 A1IOC B C18  
3773 C C18  B A1IOC C .   ? 0.337361 0.260659 0.319964  0.0250165   -0.0579793  0.04006     201 A1IOC B C18  
3774 C C19  A A1IOC C .   ? 0.353163 0.264568 0.349235  0.0309308   -0.0669603  0.0462144   201 A1IOC B C19  
3775 C C19  B A1IOC C .   ? 0.356127 0.267238 0.352134  0.0311883   -0.0672753  0.0463863   201 A1IOC B C19  
3776 C C20  A A1IOC C .   ? 0.358714 0.255098 0.349088  0.0282934   -0.0557658  0.0640412   201 A1IOC B C20  
3777 C C20  B A1IOC C .   ? 0.360638 0.256987 0.35084   0.0282885   -0.0557022  0.0641312   201 A1IOC B C20  
3778 C C21  A A1IOC C .   ? 0.390209 0.281343 0.34047   0.0318839   -0.0476788  0.0800286   201 A1IOC B C21  
3779 C C21  B A1IOC C .   ? 0.391992 0.283194 0.341982  0.0319379   -0.047701   0.0800087   201 A1IOC B C21  
3780 C C22  A A1IOC C .   ? 0.373086 0.283809 0.291556  0.0259749   -0.0249559  0.0816173   201 A1IOC B C22  
3781 C C22  B A1IOC C .   ? 0.373178 0.284234 0.291897  0.0258924   -0.025012   0.0812312   201 A1IOC B C22  
3782 O O7   A A1IOC C .   ? 0.359059 0.282647 0.267393  0.0257808   -0.0207039  0.0733679   201 A1IOC B O7   
3783 O O7   B A1IOC C .   ? 0.360103 0.283965 0.268751  0.0256921   -0.0207788  0.072992    201 A1IOC B O7   
3784 C C23  A A1IOC C .   ? 0.405027 0.302584 0.315465  0.0244379   -0.0118037  0.104109    201 A1IOC B C23  
3785 C C23  B A1IOC C .   ? 0.402626 0.300698 0.313292  0.02434     -0.0118332  0.103626    201 A1IOC B C23  
3786 C C24  A A1IOC C .   ? 0.390425 0.302691 0.307871  0.0139363   0.00957343  0.108471    201 A1IOC B C24  
3787 C C24  B A1IOC C .   ? 0.389766 0.302372 0.307324  0.0138914   0.00957048  0.108185    201 A1IOC B C24  
3788 C C25  A A1IOC C .   ? 0.344886 0.270533 0.304362  -0.00027783 0.0124057   0.0945332   201 A1IOC B C25  
3789 C C25  B A1IOC C .   ? 0.34491  0.270653 0.304671  -0.00042363 0.0125714   0.0945716   201 A1IOC B C25  
3790 C C26  A A1IOC C .   ? 0.345211 0.289846 0.314724  -0.00862955 0.0292617   0.0961853   201 A1IOC B C26  
3791 C C26  B A1IOC C .   ? 0.345703 0.290157 0.315946  -0.008971   0.0296175   0.0965839   201 A1IOC B C26  
3792 C C27  A A1IOC C .   ? 0.38695  0.324103 0.36174   -0.0149368  0.0453725   0.116752    201 A1IOC B C27  
3793 C C27  B A1IOC C .   ? 0.389358 0.325795 0.363733  -0.0148999  0.0456534   0.117534    201 A1IOC B C27  
3794 C C28  A A1IOC C .   ? 0.422528 0.342746 0.35416   -0.00188405 0.0479556   0.135424    201 A1IOC B C28  
3795 C C28  B A1IOC C .   ? 0.424368 0.344521 0.354731  -0.00145405 0.0479102   0.135568    201 A1IOC B C28  
3796 C C29  A A1IOC C .   ? 0.432539 0.333298 0.341992  0.0112267   0.026714    0.132832    201 A1IOC B C29  
3797 C C29  B A1IOC C .   ? 0.432817 0.333712 0.341629  0.0114859   0.02652     0.132651    201 A1IOC B C29  
3798 H H18  A A1IOC C .   ? 0.473685 0.367947 0.369655  0.0706412   -0.108512   0.0560072   201 A1IOC B H18  
3799 H H18  B A1IOC C .   ? 0.477778 0.373454 0.371896  0.0725108   -0.11293    0.0526845   201 A1IOC B H18  
3800 H H17  A A1IOC C .   ? 0.52167  0.405744 0.363425  0.0879984   -0.121011   0.0619053   201 A1IOC B H17  
3801 H H17  B A1IOC C .   ? 0.530889 0.411818 0.367431  0.0899049   -0.120981   0.0656366   201 A1IOC B H17  
3802 H H5   A A1IOC C .   ? 0.503985 0.356046 0.392726  0.0386647   -0.0205598  0.13749     201 A1IOC B H5   
3803 H H5   B A1IOC C .   ? 0.489852 0.343406 0.380304  0.0391235   -0.022917   0.134642    201 A1IOC B H5   
3804 H H14  A A1IOC C .   ? 0.598029 0.429366 0.501006  0.0764731   -0.0905919  0.118328    201 A1IOC B H14  
3805 H H14  B A1IOC C .   ? 0.600946 0.443113 0.532828  0.080671    -0.108282   0.100474    201 A1IOC B H14  
3806 H H13  A A1IOC C .   ? 0.635429 0.463875 0.501754  0.0976838   -0.115629   0.117637    201 A1IOC B H13  
3807 H H13  B A1IOC C .   ? 0.652527 0.480345 0.523298  0.0947177   -0.111433   0.118915    201 A1IOC B H13  
3808 H H7   A A1IOC C .   ? 0.698398 0.513986 0.359102  0.122196    -0.0709903  0.160054    201 A1IOC B H7   
3809 H H7   B A1IOC C .   ? 0.686587 0.502971 0.348611  0.122233    -0.0722969  0.158551    201 A1IOC B H7   
3810 H H8   A A1IOC C .   ? 0.642599 0.467988 0.371963  0.107052    -0.0791101  0.144804    201 A1IOC B H8   
3811 H H8   B A1IOC C .   ? 0.630732 0.457229 0.361251  0.107279    -0.0807829  0.142878    201 A1IOC B H8   
3812 H H6   A A1IOC C .   ? 0.632989 0.475776 0.338321  0.107106    -0.0720023  0.13098     201 A1IOC B H6   
3813 H H6   B A1IOC C .   ? 0.62143  0.46496  0.327733  0.107005    -0.0727255  0.129775    201 A1IOC B H6   
3814 H H10  A A1IOC C .   ? 0.65068  0.466689 0.526188  0.0542737   -0.0362234  0.157434    201 A1IOC B H10  
3815 H H10  B A1IOC C .   ? 0.60687  0.429185 0.48937   0.0516001   -0.0360119  0.151722    201 A1IOC B H10  
3816 H H9   A A1IOC C .   ? 0.715518 0.499114 0.554904  0.0640669   -0.0294347  0.190288    201 A1IOC B H9   
3817 H H9   B A1IOC C .   ? 0.670305 0.459026 0.519362  0.06702     -0.0410354  0.179148    201 A1IOC B H9   
3818 H H12  A A1IOC C .   ? 0.692975 0.486267 0.558357  0.0817114   -0.075044   0.158144    201 A1IOC B H12  
3819 H H12  B A1IOC C .   ? 0.6768   0.476922 0.52513   0.0882107   -0.0827954  0.153103    201 A1IOC B H12  
3820 H H11  A A1IOC C .   ? 0.74855  0.528564 0.548465  0.0966694   -0.0732531  0.179054    201 A1IOC B H11  
3821 H H11  B A1IOC C .   ? 0.66054  0.483186 0.485346  0.0854298   -0.077007   0.14107     201 A1IOC B H11  
3822 H H15  A A1IOC C .   ? 0.530468 0.401359 0.449134  0.0685591   -0.0973005  0.0820163   201 A1IOC B H15  
3823 H H15  B A1IOC C .   ? 0.547592 0.422665 0.470782  0.0792588   -0.119357   0.0714391   201 A1IOC B H15  
3824 H H16  A A1IOC C .   ? 0.582398 0.439644 0.40028   0.087086    -0.0926671  0.103776    201 A1IOC B H16  
3825 H H16  B A1IOC C .   ? 0.557806 0.420279 0.407083  0.0760337   -0.0848464  0.100412    201 A1IOC B H16  
3826 H H4   A A1IOC C .   ? 0.454925 0.355135 0.286993  0.0480694   -0.016888   0.104793    201 A1IOC B H4   
3827 H H4   B A1IOC C .   ? 0.449925 0.350596 0.281019  0.0478177   -0.0151966  0.105694    201 A1IOC B H4   
3828 H H2   A A1IOC C .   ? 0.537957 0.430253 0.249964  0.0858507   -0.0223011  0.106312    201 A1IOC B H2   
3829 H H2   B A1IOC C .   ? 0.533306 0.425422 0.24479   0.0862267   -0.0231856  0.105743    201 A1IOC B H2   
3830 H H3   A A1IOC C .   ? 0.487987 0.38621  0.254891  0.0720788   -0.0343922  0.092332    201 A1IOC B H3   
3831 H H3   B A1IOC C .   ? 0.483752 0.3815   0.250616  0.0722059   -0.0347169  0.092681    201 A1IOC B H3   
3832 H H1   A A1IOC C .   ? 0.498161 0.399646 0.261482  0.0657607   -0.00558062 0.112641    201 A1IOC B H1   
3833 H H1   B A1IOC C .   ? 0.493335 0.39528  0.25553   0.0661294   -0.00562049 0.112038    201 A1IOC B H1   
3834 H H20  A A1IOC C .   ? 0.452763 0.35502  0.303622  0.0682076   -0.0919069  0.0509714   201 A1IOC B H20  
3835 H H20  B A1IOC C .   ? 0.458248 0.359461 0.306923  0.0691512   -0.0924116  0.0520779   201 A1IOC B H20  
3836 H H19  A A1IOC C .   ? 0.488933 0.376533 0.306103  0.074411    -0.0788898  0.0767488   201 A1IOC B H19  
3837 H H19  B A1IOC C .   ? 0.494294 0.380264 0.311199  0.0752302   -0.0799195  0.0782048   201 A1IOC B H19  
3838 H H21  A A1IOC C .   ? 0.335644 0.263251 0.277822  0.0246626   -0.0429153  0.0481876   201 A1IOC B H21  
3839 H H21  B A1IOC C .   ? 0.338324 0.265743 0.280041  0.0251004   -0.0436907  0.0478987   201 A1IOC B H21  
3840 H H23  A A1IOC C .   ? 0.32614  0.256309 0.313722  0.0255261   -0.0641416  0.0293577   201 A1IOC B H23  
3841 H H23  B A1IOC C .   ? 0.329188 0.258873 0.316015  0.0263769   -0.0654142  0.0294488   201 A1IOC B H23  
3842 H H22  A A1IOC C .   ? 0.316322 0.245018 0.313742  0.0161195   -0.0472329  0.0372393   201 A1IOC B H22  
3843 H H22  B A1IOC C .   ? 0.318005 0.246763 0.314997  0.016613    -0.0480871  0.0368417   201 A1IOC B H22  
3844 H H24  A A1IOC C .   ? 0.334951 0.251634 0.357671  0.027966    -0.0686405  0.0366944   201 A1IOC B H24  
3845 H H24  B A1IOC C .   ? 0.337183 0.253618 0.359929  0.0281154   -0.0687942  0.0368639   201 A1IOC B H24  
3846 H H25  A A1IOC C .   ? 0.368672 0.276134 0.351274  0.0404584   -0.0792915  0.0477777   201 A1IOC B H25  
3847 H H25  B A1IOC C .   ? 0.371379 0.278319 0.354268  0.0407988   -0.0797038  0.0481004   201 A1IOC B H25  
3848 H H26  A A1IOC C .   ? 0.34552  0.246453 0.353229  0.0189143   -0.0461553  0.0601028   201 A1IOC B H26  
3849 H H26  B A1IOC C .   ? 0.347249 0.2484   0.354656  0.018873    -0.0460692  0.0600437   201 A1IOC B H26  
3850 H H27  A A1IOC C .   ? 0.378814 0.263749 0.37509   0.0339042   -0.0627225  0.0692819   201 A1IOC B H27  
3851 H H27  B A1IOC C .   ? 0.380813 0.26558  0.377049  0.0337241   -0.0623806  0.0695311   201 A1IOC B H27  
3852 H H28  A A1IOC C .   ? 0.396416 0.28006  0.348887  0.0271375   -0.0371811  0.0913162   201 A1IOC B H28  
3853 H H28  B A1IOC C .   ? 0.39822  0.282005 0.35025   0.027188    -0.0371341  0.091321    201 A1IOC B H28  
3854 H H29  A A1IOC C .   ? 0.41204  0.294884 0.341572  0.0426408   -0.0576008  0.0856986   201 A1IOC B H29  
3855 H H29  B A1IOC C .   ? 0.413854 0.296747 0.343176  0.0426963   -0.057647   0.0856668   201 A1IOC B H29  
3856 H H30  A A1IOC C .   ? 0.402913 0.292469 0.334933  0.0201943   -0.0138191  0.105567    201 A1IOC B H30  
3857 H H30  B A1IOC C .   ? 0.400652 0.290655 0.332725  0.020152    -0.0138616  0.105175    201 A1IOC B H30  
3858 H H31  A A1IOC C .   ? 0.389661 0.311402 0.28931   0.0187619   0.0109286   0.103894    201 A1IOC B H31  
3859 H H31  B A1IOC C .   ? 0.388556 0.310758 0.288633  0.0186162   0.0109534   0.103488    201 A1IOC B H31  
3860 H H33  A A1IOC C .   ? 0.35146  0.267271 0.328939  -0.00492846 0.0112435   0.0972578   201 A1IOC B H33  
3861 H H33  B A1IOC C .   ? 0.351662 0.267358 0.329122  -0.00490275 0.011207    0.0973103   201 A1IOC B H33  
3862 H H32  A A1IOC C .   ? 0.329533 0.261355 0.292437  0.00130005  0.00389917  0.0809773   201 A1IOC B H32  
3863 H H32  B A1IOC C .   ? 0.329273 0.261444 0.292668  0.00102151  0.00423639  0.0809409   201 A1IOC B H32  
3864 H H34  A A1IOC C .   ? 0.34661  0.299753 0.297169  -0.00241107 0.0309964   0.0940655   201 A1IOC B H34  
3865 H H34  B A1IOC C .   ? 0.346597 0.299997 0.298472  -0.00294421 0.0314213   0.094207    201 A1IOC B H34  
3866 H H35  A A1IOC C .   ? 0.323827 0.277736 0.31657   -0.0157532  0.0279635   0.085248    201 A1IOC B H35  
3867 H H35  B A1IOC C .   ? 0.324852 0.278355 0.318804  -0.0162939  0.0284386   0.0858668   201 A1IOC B H35  
3868 H H36  A A1IOC C .   ? 0.376372 0.329323 0.361775  -0.0203802  0.056352    0.116852    201 A1IOC B H36  
3869 H H36  B A1IOC C .   ? 0.378781 0.330849 0.364233  -0.0205647  0.0567817   0.117808    201 A1IOC B H36  
3870 H H37  A A1IOC C .   ? 0.382823 0.309859 0.378857  -0.0217562  0.0434821   0.117911    201 A1IOC B H37  
3871 H H37  B A1IOC C .   ? 0.386018 0.311747 0.380943  -0.0214825  0.0437332   0.11913     201 A1IOC B H37  
3872 H H38  A A1IOC C .   ? 0.426869 0.358071 0.339148  0.00373262  0.0534771   0.134844    201 A1IOC B H38  
3873 H H38  B A1IOC C .   ? 0.427415 0.358879 0.338872  0.00413086  0.0530527   0.13433     201 A1IOC B H38  
3874 H H39  A A1IOC C .   ? 0.445758 0.356639 0.381174  -0.00644443 0.0589565   0.151006    201 A1IOC B H39  
3875 H H39  B A1IOC C .   ? 0.448194 0.358995 0.380941  -0.00559595 0.0590837   0.151484    201 A1IOC B H39  
3876 H H41  A A1IOC C .   ? 0.440301 0.326753 0.363221  0.00839261  0.02379     0.138547    201 A1IOC B H41  
3877 H H41  B A1IOC C .   ? 0.440683 0.327294 0.362951  0.00864103  0.0236346   0.138415    201 A1IOC B H41  
3878 H H40  A A1IOC C .   ? 0.459067 0.352936 0.335498  0.0215102   0.0271354   0.142089    201 A1IOC B H40  
3879 H H40  B A1IOC C .   ? 0.459279 0.353278 0.335004  0.0218726   0.0266637   0.141679    201 A1IOC B H40  
3880 C C4   . A1IOC D .   ? 0.273724 0.252928 0.225719  0.0145761   -0.0117826  0.0710735   201 A1IOC A C4   
3881 C C14  . A1IOC D .   ? 0.275801 0.289535 0.215062  -0.0112315  0.0217483   0.0594377   201 A1IOC A C14  
3882 C C5   . A1IOC D .   ? 0.303402 0.276945 0.267898  0.00954769  -0.0195116  0.0888      201 A1IOC A C5   
3883 C C6   . A1IOC D .   ? 0.3348   0.327202 0.290577  -0.00194812 -0.0173289  0.106469    201 A1IOC A C6   
3884 C C11  . A1IOC D .   ? 0.462744 0.437099 0.455645  -0.0154753  -0.00865515 0.100017    201 A1IOC A C11  
3885 C C7   . A1IOC D .   ? 0.309923 0.326723 0.243513  -0.00654989 -0.00914552 0.101261    201 A1IOC A C7   
3886 C C8   . A1IOC D .   ? 0.348907 0.401181 0.264446  -0.0244868  0.00375316  0.117097    201 A1IOC A C8   
3887 C C9   . A1IOC D .   ? 0.39341  0.36342  0.384181  -0.0105199  -0.0283145  0.132979    201 A1IOC A C9   
3888 C C10  . A1IOC D .   ? 0.461203 0.454667 0.436275  -0.0202539  -0.0130099  0.12925     201 A1IOC A C10  
3889 C C12  . A1IOC D .   ? 0.375466 0.366696 0.349378  -0.0148052  0.00477862  0.0840879   201 A1IOC A C12  
3890 C C13  . A1IOC D .   ? 0.330469 0.339185 0.282324  -0.0155098  0.012437    0.0802562   201 A1IOC A C13  
3891 N N1   . A1IOC D .   ? 0.256233 0.211964 0.208881  0.024252    -0.00266402 0.0400413   201 A1IOC A N1   
3892 C C3   . A1IOC D .   ? 0.257154 0.256394 0.192193  0.00793487  -0.00367974 0.067757    201 A1IOC A C3   
3893 C C1   . A1IOC D .   ? 0.297386 0.335826 0.202711  -0.005107   0.00760675  0.0553363   201 A1IOC A C1   
3894 O O1   . A1IOC D .   ? 0.296756 0.336735 0.205016  -0.00776323 0.00233728  0.0746916   201 A1IOC A O1   
3895 C C2   . A1IOC D .   ? 0.282077 0.300256 0.207296  -0.00227737 -0.00264423 0.0803152   201 A1IOC A C2   
3896 O O2   . A1IOC D .   ? 0.366195 0.406706 0.286718  -0.0161933  -0.00748946 0.117423    201 A1IOC A O2   
3897 O O3   . A1IOC D .   ? 0.368813 0.359335 0.336494  -0.00890109 -0.0242561  0.130845    201 A1IOC A O3   
3898 O O4   . A1IOC D .   ? 0.408227 0.394606 0.398391  -0.023408   -0.00986494 0.122759    201 A1IOC A O4   
3899 C C15  . A1IOC D .   ? 0.269597 0.27718  0.19735   -0.00451785 0.0203099   0.0492274   201 A1IOC A C15  
3900 O O5   . A1IOC D .   ? 0.240219 0.225978 0.177688  0.00507188  0.0123606   0.0464496   201 A1IOC A O5   
3901 C C16  . A1IOC D .   ? 0.248905 0.223743 0.187144  0.0120608   0.014583    0.0336199   201 A1IOC A C16  
3902 O O6   . A1IOC D .   ? 0.257221 0.23599  0.193145  0.0107146   0.0212749   0.0261845   201 A1IOC A O6   
3903 C C17  . A1IOC D .   ? 0.263606 0.222092 0.207787  0.0232269   0.00630374  0.03018     201 A1IOC A C17  
3904 C C18  . A1IOC D .   ? 0.290269 0.23673  0.244471  0.0280773   0.00125995  0.0236051   201 A1IOC A C18  
3905 C C19  . A1IOC D .   ? 0.263755 0.206933 0.237325  0.0210654   -0.00601436 0.032192    201 A1IOC A C19  
3906 C C20  . A1IOC D .   ? 0.266954 0.201913 0.249648  0.022263    -0.0154855  0.0413667   201 A1IOC A C20  
3907 C C21  . A1IOC D .   ? 0.256696 0.204706 0.226838  0.0191148   -0.0110012  0.0508794   201 A1IOC A C21  
3908 C C22  . A1IOC D .   ? 0.25203  0.216226 0.199163  0.0259619   -0.00236617 0.0424793   201 A1IOC A C22  
3909 O O7   . A1IOC D .   ? 0.274584 0.247206 0.211094  0.0255802   0.00545307  0.0356612   201 A1IOC A O7   
3910 C C23  . A1IOC D .   ? 0.278137 0.242198 0.235787  0.0272762   -0.0126406  0.0551259   201 A1IOC A C23  
3911 C C24  . A1IOC D .   ? 0.262534 0.233971 0.220318  0.0360782   -0.0137722  0.050818    201 A1IOC A C24  
3912 C C25  . A1IOC D .   ? 0.270914 0.233389 0.231893  0.0500974   -0.0131834  0.0361766   201 A1IOC A C25  
3913 C C26  . A1IOC D .   ? 0.277269 0.251625 0.243731  0.0603096   -0.0135989  0.0327629   201 A1IOC A C26  
3914 C C27  . A1IOC D .   ? 0.307579 0.28484  0.289004  0.0634268   -0.0245943  0.0426917   201 A1IOC A C27  
3915 C C28  . A1IOC D .   ? 0.315821 0.302752 0.290127  0.0483332   -0.0254066  0.0579077   201 A1IOC A C28  
3916 C C29  . A1IOC D .   ? 0.285341 0.259888 0.254744  0.0386878   -0.0246599  0.0635045   201 A1IOC A C29  
3917 H H18  . A1IOC D .   ? 0.27991  0.284422 0.227823  -0.00782344 0.0217393   0.0522604   201 A1IOC A H18  
3918 H H17  . A1IOC D .   ? 0.288496 0.320218 0.220151  -0.0162467  0.0289396   0.0592197   201 A1IOC A H17  
3919 H H5   . A1IOC D .   ? 0.310355 0.267965 0.289468  0.0138825   -0.0263842  0.0890608   201 A1IOC A H5   
3920 H H14  . A1IOC D .   ? 0.423419 0.384287 0.416122  -0.00634993 -0.0147995  0.0921226   201 A1IOC A H14  
3921 H H13  . A1IOC D .   ? 0.430351 0.396567 0.441253  -0.018285   -0.0122362  0.10161     201 A1IOC A H13  
3922 H H7   . A1IOC D .   ? 0.359514 0.43306  0.258308  -0.0281978  0.0090491   0.114705    201 A1IOC A H7   
3923 H H8   . A1IOC D .   ? 0.36608  0.416761 0.291173  -0.0291253  0.00157644  0.133522    201 A1IOC A H8   
3924 H H6   . A1IOC D .   ? 0.342298 0.384437 0.262791  -0.0214723  0.00796269  0.102762    201 A1IOC A H6   
3925 H H10  . A1IOC D .   ? 0.393453 0.34841  0.390995  -0.00221095 -0.0309434  0.117264    201 A1IOC A H10  
3926 H H9   . A1IOC D .   ? 0.418996 0.383791 0.422774  -0.0149611  -0.0352314  0.151513    201 A1IOC A H9   
3927 H H12  . A1IOC D .   ? 0.440086 0.450232 0.408704  -0.0281322  -0.0105192  0.145472    201 A1IOC A H12  
3928 H H11  . A1IOC D .   ? 0.414771 0.415916 0.374609  -0.0165186  -0.00733002 0.115176    201 A1IOC A H11  
3929 H H15  . A1IOC D .   ? 0.3717   0.359893 0.352054  -0.0134324  0.00675413  0.0751201   201 A1IOC A H15  
3930 H H16  . A1IOC D .   ? 0.338874 0.356767 0.284083  -0.0188736  0.010968    0.0910007   201 A1IOC A H16  
3931 H H4   . A1IOC D .   ? 0.256764 0.25742  0.187162  0.0102372   0.00085241  0.057003    201 A1IOC A H4   
3932 H H2   . A1IOC D .   ? 0.297548 0.350699 0.19299   -0.00978694 0.00964941  0.0504145   201 A1IOC A H2   
3933 H H3   . A1IOC D .   ? 0.286183 0.314582 0.193837  -0.00361127 0.0127926   0.0478904   201 A1IOC A H3   
3934 H H1   . A1IOC D .   ? 0.289302 0.323057 0.201447  -7.284e-05  0.00356204  0.0548316   201 A1IOC A H1   
3935 H H20  . A1IOC D .   ? 0.259109 0.269496 0.180949  -0.00353584 0.0261547   0.0379428   201 A1IOC A H20  
3936 H H19  . A1IOC D .   ? 0.269114 0.286334 0.190197  -0.00746986 0.018526    0.0558795   201 A1IOC A H19  
3937 H H21  . A1IOC D .   ? 0.258611 0.217363 0.195416  0.0276984   0.00964157  0.0245481   201 A1IOC A H21  
3938 H H23  . A1IOC D .   ? 0.271758 0.221069 0.2218    0.0277949   0.00647538  0.0185663   201 A1IOC A H23  
3939 H H22  . A1IOC D .   ? 0.278387 0.216989 0.23186   0.0369065   -0.00301733 0.0177129   201 A1IOC A H22  
3940 H H24  . A1IOC D .   ? 0.27077  0.206692 0.252436  0.0245516   -0.010671   0.0255742   201 A1IOC A H24  
3941 H H25  . A1IOC D .   ? 0.268085 0.222726 0.241786  0.0125162   -0.0003535  0.038587    201 A1IOC A H25  
3942 H H26  . A1IOC D .   ? 0.269236 0.193829 0.253998  0.0318785   -0.021288   0.032631    201 A1IOC A H26  
3943 H H27  . A1IOC D .   ? 0.27398  0.205756 0.2712    0.0160907   -0.0202588  0.0499316   201 A1IOC A H27  
3944 H H28  . A1IOC D .   ? 0.268939 0.210458 0.246875  0.0224777   -0.0185285  0.0558722   201 A1IOC A H28  
3945 H H29  . A1IOC D .   ? 0.263747 0.222905 0.231693  0.00996563  -0.00699711 0.0600908   201 A1IOC A H29  
3946 H H30  . A1IOC D .   ? 0.277386 0.228163 0.247127  0.0309298   -0.0196625  0.0561663   201 A1IOC A H30  
3947 H H31  . A1IOC D .   ? 0.262761 0.246219 0.211084  0.0314055   -0.00726968 0.048616    201 A1IOC A H31  
3948 H H33  . A1IOC D .   ? 0.276767 0.226105 0.24627   0.0544916   -0.0198192  0.0344242   201 A1IOC A H33  
3949 H H32  . A1IOC D .   ? 0.263293 0.226751 0.21513   0.048725    -0.00600395 0.0300951   201 A1IOC A H32  
3950 H H34  . A1IOC D .   ? 0.273433 0.260218 0.232986  0.0557905   -0.00630816 0.0322889   201 A1IOC A H34  
3951 H H35  . A1IOC D .   ? 0.283277 0.253312 0.251227  0.0704114   -0.0134423  0.0234729   201 A1IOC A H35  
3952 H H36  . A1IOC D .   ? 0.303437 0.292365 0.289457  0.0699774   -0.0235525  0.0393204   201 A1IOC A H36  
3953 H H37  . A1IOC D .   ? 0.314058 0.276751 0.305984  0.0689591   -0.0327267  0.042765    201 A1IOC A H37  
3954 H H38  . A1IOC D .   ? 0.298767 0.299076 0.264169  0.0431989   -0.0186403  0.0550193   201 A1IOC A H38  
3955 H H39  . A1IOC D .   ? 0.314612 0.304546 0.297479  0.0502416   -0.0334949  0.066963    201 A1IOC A H39  
3956 H H41  . A1IOC D .   ? 0.298933 0.259183 0.28039   0.0427646   -0.0320869  0.0661958   201 A1IOC A H41  
3957 H H40  . A1IOC D .   ? 0.293044 0.276966 0.25687   0.0300594   -0.0248235  0.0738361   201 A1IOC A H40  
# 
