data_9GQ4
# 
_entry.id   9GQ4 
# 
_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   9GQ4         pdb_00009gq4 10.2210/pdb9gq4/pdb 
WWPDB D_1292141272 ?            ?                   
# 
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                        9GQ4 
_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},16~{E})-2-cyclohexyl-21,24-dimethoxy-11,14,19-trioxa-4-azatricyclo[18.2.2.0^{4,9}]tetracosa-1(23),16,20(24),21-tetraene-3,10-dione
;
501.612   2   ?       ?                    ? ? 
3 water       nat water 18.015    133 ?       ?                    ? ? 
# 
_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                 A,B 
_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},16~{E})-2-cyclohexyl-21,24-dimethoxy-11,14,19-trioxa-4-azatricyclo[18.2.2.0^{4,9}]tetracosa-1(23),16,20(24),21-tetraene-3,10-dione
;
A1IN2 
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 
A1IN2 non-polymer         . 
;(2~{S},9~{S},16~{E})-2-cyclohexyl-21,24-dimethoxy-11,14,19-trioxa-4-azatricyclo[18.2.2.0^{4,9}]tetracosa-1(23),16,20(24),21-tetraene-3,10-dione
;
? 'C28 H39 N O7'   501.612 
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  ?   ?   ?   A . n 
A 1 2   ALA 2   14  ?   ?   ?   A . n 
A 1 3   PRO 3   15  ?   ?   ?   A . n 
A 1 4   ALA 4   16  ?   ?   ?   A . n 
A 1 5   THR 5   17  17  THR THR A . n 
A 1 6   VAL 6   18  18  VAL VAL A . n 
A 1 7   THR 7   19  19  THR THR A . n 
A 1 8   GLU 8   20  20  GLU GLU A . n 
A 1 9   GLN 9   21  21  GLN GLN A . n 
A 1 10  GLY 10  22  22  GLY GLY A . n 
A 1 11  GLU 11  23  23  GLU GLU A . n 
A 1 12  ASP 12  24  24  ASP ASP A . n 
A 1 13  ILE 13  25  25  ILE ILE A . n 
A 1 14  THR 14  26  26  THR THR A . n 
A 1 15  SER 15  27  27  SER SER A . n 
A 1 16  LYS 16  28  28  LYS LYS A . n 
A 1 17  LYS 17  29  29  LYS LYS A . n 
A 1 18  ASP 18  30  30  ASP ASP A . n 
A 1 19  ARG 19  31  31  ARG ARG A . n 
A 1 20  GLY 20  32  32  GLY GLY A . n 
A 1 21  VAL 21  33  33  VAL VAL A . n 
A 1 22  LEU 22  34  34  LEU LEU A . n 
A 1 23  LYS 23  35  35  LYS LYS A . n 
A 1 24  ILE 24  36  36  ILE ILE A . n 
A 1 25  VAL 25  37  37  VAL VAL A . n 
A 1 26  LYS 26  38  38  LYS LYS A . n 
A 1 27  ARG 27  39  39  ARG ARG A . n 
A 1 28  VAL 28  40  40  VAL VAL A . n 
A 1 29  GLY 29  41  41  GLY GLY A . n 
A 1 30  ASN 30  42  42  ASN ASN A . n 
A 1 31  GLY 31  43  43  GLY GLY A . n 
A 1 32  GLU 32  44  44  GLU GLU A . n 
A 1 33  GLU 33  45  45  GLU GLU A . n 
A 1 34  THR 34  46  46  THR THR A . n 
A 1 35  PRO 35  47  47  PRO PRO A . n 
A 1 36  MET 36  48  48  MET MET A . n 
A 1 37  ILE 37  49  49  ILE ILE A . n 
A 1 38  GLY 38  50  50  GLY GLY A . n 
A 1 39  ASP 39  51  51  ASP ASP A . n 
A 1 40  LYS 40  52  52  LYS LYS A . n 
A 1 41  VAL 41  53  53  VAL VAL A . n 
A 1 42  TYR 42  54  54  TYR TYR A . n 
A 1 43  VAL 43  55  55  VAL VAL A . n 
A 1 44  HIS 44  56  56  HIS HIS A . n 
A 1 45  TYR 45  57  57  TYR TYR A . n 
A 1 46  LYS 46  58  58  LYS LYS A . n 
A 1 47  GLY 47  59  59  GLY GLY A . n 
A 1 48  LYS 48  60  60  LYS LYS A . n 
A 1 49  LEU 49  61  61  LEU LEU A . n 
A 1 50  SER 50  62  62  SER SER A . n 
A 1 51  ASN 51  63  63  ASN ASN A . n 
A 1 52  GLY 52  64  64  GLY GLY A . n 
A 1 53  LYS 53  65  65  LYS LYS A . n 
A 1 54  LYS 54  66  66  LYS LYS A . n 
A 1 55  PHE 55  67  67  PHE PHE A . n 
A 1 56  ASP 56  68  68  ASP ASP A . n 
A 1 57  SER 57  69  69  SER SER A . n 
A 1 58  SER 58  70  70  SER SER A . n 
A 1 59  HIS 59  71  71  HIS HIS A . n 
A 1 60  ASP 60  72  72  ASP ASP A . n 
A 1 61  ARG 61  73  73  ARG ARG A . n 
A 1 62  ASN 62  74  74  ASN ASN A . n 
A 1 63  GLU 63  75  75  GLU GLU A . n 
A 1 64  PRO 64  76  76  PRO PRO A . n 
A 1 65  PHE 65  77  77  PHE PHE A . n 
A 1 66  VAL 66  78  78  VAL VAL A . n 
A 1 67  PHE 67  79  79  PHE PHE A . n 
A 1 68  SER 68  80  80  SER SER A . n 
A 1 69  LEU 69  81  81  LEU LEU A . n 
A 1 70  GLY 70  82  82  GLY GLY A . n 
A 1 71  LYS 71  83  83  LYS LYS A . n 
A 1 72  GLY 72  84  84  GLY GLY A . n 
A 1 73  GLN 73  85  85  GLN GLN A . n 
A 1 74  VAL 74  86  86  VAL VAL A . n 
A 1 75  ILE 75  87  87  ILE ILE A . n 
A 1 76  LYS 76  88  88  LYS LYS A . n 
A 1 77  ALA 77  89  89  ALA ALA A . n 
A 1 78  TRP 78  90  90  TRP TRP A . n 
A 1 79  ASP 79  91  91  ASP ASP A . n 
A 1 80  ILE 80  92  92  ILE ILE A . n 
A 1 81  GLY 81  93  93  GLY GLY A . n 
A 1 82  VAL 82  94  94  VAL VAL A . n 
A 1 83  ALA 83  95  95  ALA ALA A . n 
A 1 84  THR 84  96  96  THR THR A . n 
A 1 85  MET 85  97  97  MET MET A . n 
A 1 86  LYS 86  98  98  LYS LYS A . n 
A 1 87  LYS 87  99  99  LYS LYS A . n 
A 1 88  GLY 88  100 100 GLY GLY A . n 
A 1 89  GLU 89  101 101 GLU GLU A . n 
A 1 90  ILE 90  102 102 ILE ILE A . n 
A 1 91  ALA 91  103 103 ALA ALA A . n 
A 1 92  HIS 92  104 104 HIS HIS A . n 
A 1 93  LEU 93  105 105 LEU LEU A . n 
A 1 94  LEU 94  106 106 LEU LEU A . n 
A 1 95  ILE 95  107 107 ILE ILE A . n 
A 1 96  LYS 96  108 108 LYS LYS A . n 
A 1 97  PRO 97  109 109 PRO PRO A . n 
A 1 98  GLU 98  110 110 GLU GLU A . n 
A 1 99  TYR 99  111 111 TYR TYR A . n 
A 1 100 ALA 100 112 112 ALA ALA A . n 
A 1 101 TYR 101 113 113 TYR TYR A . n 
A 1 102 GLY 102 114 114 GLY GLY A . n 
A 1 103 SER 103 115 115 SER SER A . n 
A 1 104 ALA 104 116 116 ALA ALA A . n 
A 1 105 GLY 105 117 117 GLY GLY A . n 
A 1 106 SER 106 118 118 SER SER A . n 
A 1 107 LEU 107 119 119 LEU LEU A . n 
A 1 108 PRO 108 120 120 PRO PRO A . n 
A 1 109 LYS 109 121 121 LYS LYS A . n 
A 1 110 ILE 110 122 122 ILE ILE A . n 
A 1 111 PRO 111 123 123 PRO PRO A . n 
A 1 112 SER 112 124 124 SER SER A . n 
A 1 113 ASN 113 125 125 ASN ASN A . n 
A 1 114 ALA 114 126 126 ALA ALA A . n 
A 1 115 THR 115 127 127 THR THR A . n 
A 1 116 LEU 116 128 128 LEU LEU A . n 
A 1 117 PHE 117 129 129 PHE PHE A . n 
A 1 118 PHE 118 130 130 PHE PHE A . n 
A 1 119 GLU 119 131 131 GLU GLU A . n 
A 1 120 ILE 120 132 132 ILE ILE A . n 
A 1 121 GLU 121 133 133 GLU GLU A . n 
A 1 122 LEU 122 134 134 LEU LEU A . n 
A 1 123 LEU 123 135 135 LEU LEU A . n 
A 1 124 ASP 124 136 136 ASP ASP A . n 
A 1 125 PHE 125 137 137 PHE PHE A . n 
A 1 126 LYS 126 138 138 LYS LYS A . n 
A 1 127 GLY 127 139 139 GLY GLY A . n 
A 1 128 GLU 128 140 140 GLU GLU A . n 
B 1 1   GLY 1   13  13  GLY GLY B . n 
B 1 2   ALA 2   14  14  ALA ALA B . n 
B 1 3   PRO 3   15  15  PRO PRO B . n 
B 1 4   ALA 4   16  16  ALA ALA B . n 
B 1 5   THR 5   17  17  THR THR B . n 
B 1 6   VAL 6   18  18  VAL VAL B . n 
B 1 7   THR 7   19  19  THR THR B . n 
B 1 8   GLU 8   20  20  GLU GLU B . n 
B 1 9   GLN 9   21  21  GLN GLN B . n 
B 1 10  GLY 10  22  22  GLY GLY B . n 
B 1 11  GLU 11  23  23  GLU GLU B . n 
B 1 12  ASP 12  24  24  ASP ASP B . n 
B 1 13  ILE 13  25  25  ILE ILE B . n 
B 1 14  THR 14  26  26  THR THR B . n 
B 1 15  SER 15  27  27  SER SER B . n 
B 1 16  LYS 16  28  28  LYS LYS B . n 
B 1 17  LYS 17  29  29  LYS LYS B . n 
B 1 18  ASP 18  30  30  ASP ASP B . n 
B 1 19  ARG 19  31  31  ARG ARG B . n 
B 1 20  GLY 20  32  32  GLY GLY B . n 
B 1 21  VAL 21  33  33  VAL VAL B . n 
B 1 22  LEU 22  34  34  LEU LEU B . n 
B 1 23  LYS 23  35  35  LYS LYS B . n 
B 1 24  ILE 24  36  36  ILE ILE B . n 
B 1 25  VAL 25  37  37  VAL VAL B . n 
B 1 26  LYS 26  38  38  LYS LYS B . n 
B 1 27  ARG 27  39  39  ARG ARG B . n 
B 1 28  VAL 28  40  40  VAL VAL B . n 
B 1 29  GLY 29  41  41  GLY GLY B . n 
B 1 30  ASN 30  42  42  ASN ASN B . n 
B 1 31  GLY 31  43  43  GLY GLY B . n 
B 1 32  GLU 32  44  44  GLU GLU B . n 
B 1 33  GLU 33  45  45  GLU GLU B . n 
B 1 34  THR 34  46  46  THR THR B . n 
B 1 35  PRO 35  47  47  PRO PRO B . n 
B 1 36  MET 36  48  48  MET MET B . n 
B 1 37  ILE 37  49  49  ILE ILE B . n 
B 1 38  GLY 38  50  50  GLY GLY B . n 
B 1 39  ASP 39  51  51  ASP ASP B . n 
B 1 40  LYS 40  52  52  LYS LYS B . n 
B 1 41  VAL 41  53  53  VAL VAL B . n 
B 1 42  TYR 42  54  54  TYR TYR B . n 
B 1 43  VAL 43  55  55  VAL VAL B . n 
B 1 44  HIS 44  56  56  HIS HIS B . n 
B 1 45  TYR 45  57  57  TYR TYR B . n 
B 1 46  LYS 46  58  58  LYS LYS B . n 
B 1 47  GLY 47  59  59  GLY GLY B . n 
B 1 48  LYS 48  60  60  LYS LYS B . n 
B 1 49  LEU 49  61  61  LEU LEU B . n 
B 1 50  SER 50  62  62  SER SER B . n 
B 1 51  ASN 51  63  63  ASN ASN B . n 
B 1 52  GLY 52  64  64  GLY GLY B . n 
B 1 53  LYS 53  65  65  LYS LYS B . n 
B 1 54  LYS 54  66  66  LYS LYS B . n 
B 1 55  PHE 55  67  67  PHE PHE B . n 
B 1 56  ASP 56  68  68  ASP ASP B . n 
B 1 57  SER 57  69  69  SER SER B . n 
B 1 58  SER 58  70  70  SER SER B . n 
B 1 59  HIS 59  71  71  HIS HIS B . n 
B 1 60  ASP 60  72  72  ASP ASP B . n 
B 1 61  ARG 61  73  73  ARG ARG B . n 
B 1 62  ASN 62  74  74  ASN ASN B . n 
B 1 63  GLU 63  75  75  GLU GLU B . n 
B 1 64  PRO 64  76  76  PRO PRO B . n 
B 1 65  PHE 65  77  77  PHE PHE B . n 
B 1 66  VAL 66  78  78  VAL VAL B . n 
B 1 67  PHE 67  79  79  PHE PHE B . n 
B 1 68  SER 68  80  80  SER SER B . n 
B 1 69  LEU 69  81  81  LEU LEU B . n 
B 1 70  GLY 70  82  82  GLY GLY B . n 
B 1 71  LYS 71  83  83  LYS LYS B . n 
B 1 72  GLY 72  84  84  GLY GLY B . n 
B 1 73  GLN 73  85  85  GLN GLN B . n 
B 1 74  VAL 74  86  86  VAL VAL B . n 
B 1 75  ILE 75  87  87  ILE ILE B . n 
B 1 76  LYS 76  88  88  LYS LYS B . n 
B 1 77  ALA 77  89  89  ALA ALA B . n 
B 1 78  TRP 78  90  90  TRP TRP B . n 
B 1 79  ASP 79  91  91  ASP ASP B . n 
B 1 80  ILE 80  92  92  ILE ILE B . n 
B 1 81  GLY 81  93  93  GLY GLY B . n 
B 1 82  VAL 82  94  94  VAL VAL B . n 
B 1 83  ALA 83  95  95  ALA ALA B . n 
B 1 84  THR 84  96  96  THR THR B . n 
B 1 85  MET 85  97  97  MET MET B . n 
B 1 86  LYS 86  98  98  LYS LYS B . n 
B 1 87  LYS 87  99  99  LYS LYS B . n 
B 1 88  GLY 88  100 100 GLY GLY B . n 
B 1 89  GLU 89  101 101 GLU GLU B . n 
B 1 90  ILE 90  102 102 ILE ILE B . n 
B 1 91  ALA 91  103 103 ALA ALA B . n 
B 1 92  HIS 92  104 104 HIS HIS B . n 
B 1 93  LEU 93  105 105 LEU LEU B . n 
B 1 94  LEU 94  106 106 LEU LEU B . n 
B 1 95  ILE 95  107 107 ILE ILE B . n 
B 1 96  LYS 96  108 108 LYS LYS B . n 
B 1 97  PRO 97  109 109 PRO PRO B . n 
B 1 98  GLU 98  110 110 GLU GLU B . n 
B 1 99  TYR 99  111 111 TYR TYR B . n 
B 1 100 ALA 100 112 112 ALA ALA B . n 
B 1 101 TYR 101 113 113 TYR TYR B . n 
B 1 102 GLY 102 114 114 GLY GLY B . n 
B 1 103 SER 103 115 115 SER SER B . n 
B 1 104 ALA 104 116 116 ALA ALA B . n 
B 1 105 GLY 105 117 117 GLY GLY B . n 
B 1 106 SER 106 118 118 SER SER B . n 
B 1 107 LEU 107 119 119 LEU LEU B . n 
B 1 108 PRO 108 120 120 PRO PRO B . n 
B 1 109 LYS 109 121 121 LYS LYS B . n 
B 1 110 ILE 110 122 122 ILE ILE B . n 
B 1 111 PRO 111 123 123 PRO PRO B . n 
B 1 112 SER 112 124 124 SER SER B . n 
B 1 113 ASN 113 125 125 ASN ASN B . n 
B 1 114 ALA 114 126 126 ALA ALA B . n 
B 1 115 THR 115 127 127 THR THR B . n 
B 1 116 LEU 116 128 128 LEU LEU B . n 
B 1 117 PHE 117 129 129 PHE PHE B . n 
B 1 118 PHE 118 130 130 PHE PHE B . n 
B 1 119 GLU 119 131 131 GLU GLU B . n 
B 1 120 ILE 120 132 132 ILE ILE B . n 
B 1 121 GLU 121 133 133 GLU GLU B . n 
B 1 122 LEU 122 134 134 LEU LEU B . n 
B 1 123 LEU 123 135 135 LEU LEU B . n 
B 1 124 ASP 124 136 136 ASP ASP B . n 
B 1 125 PHE 125 137 137 PHE PHE B . n 
B 1 126 LYS 126 138 138 LYS LYS B . n 
B 1 127 GLY 127 139 139 GLY GLY B . n 
B 1 128 GLU 128 140 140 GLU GLU B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IN2 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IN2 
_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 A1IN2 1  201 201 A1IN2 PDB A . 
D 2 A1IN2 1  201 201 A1IN2 PDB B . 
E 3 HOH   1  301 123 HOH   HOH A . 
E 3 HOH   2  302 53  HOH   HOH A . 
E 3 HOH   3  303 42  HOH   HOH A . 
E 3 HOH   4  304 41  HOH   HOH A . 
E 3 HOH   5  305 68  HOH   HOH A . 
E 3 HOH   6  306 11  HOH   HOH A . 
E 3 HOH   7  307 30  HOH   HOH A . 
E 3 HOH   8  308 116 HOH   HOH A . 
E 3 HOH   9  309 64  HOH   HOH A . 
E 3 HOH   10 310 129 HOH   HOH A . 
E 3 HOH   11 311 70  HOH   HOH A . 
E 3 HOH   12 312 72  HOH   HOH A . 
E 3 HOH   13 313 134 HOH   HOH A . 
E 3 HOH   14 314 17  HOH   HOH A . 
E 3 HOH   15 315 10  HOH   HOH A . 
E 3 HOH   16 316 77  HOH   HOH A . 
E 3 HOH   17 317 127 HOH   HOH A . 
E 3 HOH   18 318 81  HOH   HOH A . 
E 3 HOH   19 319 110 HOH   HOH A . 
E 3 HOH   20 320 36  HOH   HOH A . 
E 3 HOH   21 321 47  HOH   HOH A . 
E 3 HOH   22 322 65  HOH   HOH A . 
E 3 HOH   23 323 38  HOH   HOH A . 
E 3 HOH   24 324 20  HOH   HOH A . 
E 3 HOH   25 325 5   HOH   HOH A . 
E 3 HOH   26 326 46  HOH   HOH A . 
E 3 HOH   27 327 66  HOH   HOH A . 
E 3 HOH   28 328 63  HOH   HOH A . 
E 3 HOH   29 329 86  HOH   HOH A . 
E 3 HOH   30 330 35  HOH   HOH A . 
E 3 HOH   31 331 29  HOH   HOH A . 
E 3 HOH   32 332 57  HOH   HOH A . 
E 3 HOH   33 333 52  HOH   HOH A . 
E 3 HOH   34 334 43  HOH   HOH A . 
E 3 HOH   35 335 48  HOH   HOH A . 
E 3 HOH   36 336 22  HOH   HOH A . 
E 3 HOH   37 337 79  HOH   HOH A . 
E 3 HOH   38 338 50  HOH   HOH A . 
E 3 HOH   39 339 93  HOH   HOH A . 
E 3 HOH   40 340 4   HOH   HOH A . 
E 3 HOH   41 341 14  HOH   HOH A . 
E 3 HOH   42 342 39  HOH   HOH A . 
E 3 HOH   43 343 115 HOH   HOH A . 
E 3 HOH   44 344 26  HOH   HOH A . 
E 3 HOH   45 345 40  HOH   HOH A . 
E 3 HOH   46 346 12  HOH   HOH A . 
E 3 HOH   47 347 55  HOH   HOH A . 
E 3 HOH   48 348 132 HOH   HOH A . 
E 3 HOH   49 349 37  HOH   HOH A . 
E 3 HOH   50 350 13  HOH   HOH A . 
E 3 HOH   51 351 32  HOH   HOH A . 
E 3 HOH   52 352 92  HOH   HOH A . 
E 3 HOH   53 353 9   HOH   HOH A . 
E 3 HOH   54 354 95  HOH   HOH A . 
E 3 HOH   55 355 78  HOH   HOH A . 
E 3 HOH   56 356 102 HOH   HOH A . 
E 3 HOH   57 357 85  HOH   HOH A . 
E 3 HOH   58 358 73  HOH   HOH A . 
E 3 HOH   59 359 101 HOH   HOH A . 
E 3 HOH   60 360 119 HOH   HOH A . 
E 3 HOH   61 361 45  HOH   HOH A . 
E 3 HOH   62 362 112 HOH   HOH A . 
E 3 HOH   63 363 74  HOH   HOH A . 
E 3 HOH   64 364 120 HOH   HOH A . 
E 3 HOH   65 365 125 HOH   HOH A . 
E 3 HOH   66 366 103 HOH   HOH A . 
E 3 HOH   67 367 111 HOH   HOH A . 
E 3 HOH   68 368 89  HOH   HOH A . 
E 3 HOH   69 369 124 HOH   HOH A . 
E 3 HOH   70 370 56  HOH   HOH A . 
E 3 HOH   71 371 133 HOH   HOH A . 
E 3 HOH   72 372 97  HOH   HOH A . 
E 3 HOH   73 373 135 HOH   HOH A . 
E 3 HOH   74 374 126 HOH   HOH A . 
E 3 HOH   75 375 106 HOH   HOH A . 
E 3 HOH   76 376 80  HOH   HOH A . 
F 3 HOH   1  301 117 HOH   HOH B . 
F 3 HOH   2  302 21  HOH   HOH B . 
F 3 HOH   3  303 60  HOH   HOH B . 
F 3 HOH   4  304 84  HOH   HOH B . 
F 3 HOH   5  305 18  HOH   HOH B . 
F 3 HOH   6  306 88  HOH   HOH B . 
F 3 HOH   7  307 76  HOH   HOH B . 
F 3 HOH   8  308 121 HOH   HOH B . 
F 3 HOH   9  309 105 HOH   HOH B . 
F 3 HOH   10 310 71  HOH   HOH B . 
F 3 HOH   11 311 82  HOH   HOH B . 
F 3 HOH   12 312 3   HOH   HOH B . 
F 3 HOH   13 313 44  HOH   HOH B . 
F 3 HOH   14 314 90  HOH   HOH B . 
F 3 HOH   15 315 15  HOH   HOH B . 
F 3 HOH   16 316 8   HOH   HOH B . 
F 3 HOH   17 317 19  HOH   HOH B . 
F 3 HOH   18 318 24  HOH   HOH B . 
F 3 HOH   19 319 31  HOH   HOH B . 
F 3 HOH   20 320 75  HOH   HOH B . 
F 3 HOH   21 321 7   HOH   HOH B . 
F 3 HOH   22 322 16  HOH   HOH B . 
F 3 HOH   23 323 6   HOH   HOH B . 
F 3 HOH   24 324 83  HOH   HOH B . 
F 3 HOH   25 325 49  HOH   HOH B . 
F 3 HOH   26 326 28  HOH   HOH B . 
F 3 HOH   27 327 25  HOH   HOH B . 
F 3 HOH   28 328 131 HOH   HOH B . 
F 3 HOH   29 329 136 HOH   HOH B . 
F 3 HOH   30 330 140 HOH   HOH B . 
F 3 HOH   31 331 87  HOH   HOH B . 
F 3 HOH   32 332 67  HOH   HOH B . 
F 3 HOH   33 333 33  HOH   HOH B . 
F 3 HOH   34 334 98  HOH   HOH B . 
F 3 HOH   35 335 23  HOH   HOH B . 
F 3 HOH   36 336 51  HOH   HOH B . 
F 3 HOH   37 337 128 HOH   HOH B . 
F 3 HOH   38 338 61  HOH   HOH B . 
F 3 HOH   39 339 91  HOH   HOH B . 
F 3 HOH   40 340 139 HOH   HOH B . 
F 3 HOH   41 341 58  HOH   HOH B . 
F 3 HOH   42 342 113 HOH   HOH B . 
F 3 HOH   43 343 96  HOH   HOH B . 
F 3 HOH   44 344 141 HOH   HOH B . 
F 3 HOH   45 345 107 HOH   HOH B . 
F 3 HOH   46 346 109 HOH   HOH B . 
F 3 HOH   47 347 138 HOH   HOH B . 
F 3 HOH   48 348 108 HOH   HOH B . 
F 3 HOH   49 349 118 HOH   HOH B . 
F 3 HOH   50 350 137 HOH   HOH B . 
F 3 HOH   51 351 100 HOH   HOH B . 
F 3 HOH   52 352 69  HOH   HOH B . 
F 3 HOH   53 353 104 HOH   HOH B . 
F 3 HOH   54 354 122 HOH   HOH B . 
F 3 HOH   55 355 94  HOH   HOH B . 
F 3 HOH   56 356 114 HOH   HOH B . 
F 3 HOH   57 357 99  HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1   1 Y 1 A LYS 29  ? CE  ? A LYS 17  CE  
2   1 Y 1 A LYS 29  ? NZ  ? A LYS 17  NZ  
3   1 Y 1 A GLU 44  ? CG  ? A GLU 32  CG  
4   1 Y 1 A GLU 44  ? CD  ? A GLU 32  CD  
5   1 Y 1 A GLU 44  ? OE1 ? A GLU 32  OE1 
6   1 Y 1 A GLU 44  ? OE2 ? A GLU 32  OE2 
7   1 Y 1 A GLU 45  ? CG  ? A GLU 33  CG  
8   1 Y 1 A GLU 45  ? CD  ? A GLU 33  CD  
9   1 Y 1 A GLU 45  ? OE1 ? A GLU 33  OE1 
10  1 Y 1 A GLU 45  ? OE2 ? A GLU 33  OE2 
11  1 Y 1 A LYS 52  ? CG  ? A LYS 40  CG  
12  1 Y 1 A LYS 52  ? CD  ? A LYS 40  CD  
13  1 Y 1 A LYS 52  ? CE  ? A LYS 40  CE  
14  1 Y 1 A LYS 52  ? NZ  ? A LYS 40  NZ  
15  1 Y 1 A LYS 65  ? CG  ? A LYS 53  CG  
16  1 Y 1 A LYS 65  ? CD  ? A LYS 53  CD  
17  1 Y 1 A LYS 65  ? CE  ? A LYS 53  CE  
18  1 Y 1 A LYS 65  ? NZ  ? A LYS 53  NZ  
19  1 Y 1 A ARG 73  ? CG  ? A ARG 61  CG  
20  1 Y 1 A ARG 73  ? CD  ? A ARG 61  CD  
21  1 Y 1 A ARG 73  ? NE  ? A ARG 61  NE  
22  1 Y 1 A ARG 73  ? CZ  ? A ARG 61  CZ  
23  1 Y 1 A ARG 73  ? NH1 ? A ARG 61  NH1 
24  1 Y 1 A ARG 73  ? NH2 ? A ARG 61  NH2 
25  1 Y 1 A ASN 74  ? CG  ? A ASN 62  CG  
26  1 Y 1 A ASN 74  ? OD1 ? A ASN 62  OD1 
27  1 Y 1 A ASN 74  ? ND2 ? A ASN 62  ND2 
28  1 Y 1 A GLU 75  ? CG  ? A GLU 63  CG  
29  1 Y 1 A GLU 75  ? CD  ? A GLU 63  CD  
30  1 Y 1 A GLU 75  ? OE1 ? A GLU 63  OE1 
31  1 Y 1 A GLU 75  ? OE2 ? A GLU 63  OE2 
32  1 Y 1 A LYS 83  ? CG  ? A LYS 71  CG  
33  1 Y 1 A LYS 83  ? CD  ? A LYS 71  CD  
34  1 Y 1 A LYS 83  ? CE  ? A LYS 71  CE  
35  1 Y 1 A LYS 83  ? NZ  ? A LYS 71  NZ  
36  1 Y 1 A LYS 88  ? CG  ? A LYS 76  CG  
37  1 Y 1 A LYS 88  ? CD  ? A LYS 76  CD  
38  1 Y 1 A LYS 88  ? CE  ? A LYS 76  CE  
39  1 Y 1 A LYS 88  ? NZ  ? A LYS 76  NZ  
40  1 Y 1 A LYS 98  ? CE  ? A LYS 86  CE  
41  1 Y 1 A LYS 98  ? NZ  ? A LYS 86  NZ  
42  1 Y 1 A LYS 99  ? NZ  ? A LYS 87  NZ  
43  1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
44  1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
45  1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
46  1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
47  1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
48  1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
49  1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
50  1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
51  1 Y 1 B GLU 20  ? CG  ? B GLU 8   CG  
52  1 Y 1 B GLU 20  ? CD  ? B GLU 8   CD  
53  1 Y 1 B GLU 20  ? OE1 ? B GLU 8   OE1 
54  1 Y 1 B GLU 20  ? OE2 ? B GLU 8   OE2 
55  1 Y 1 B GLU 23  ? CD  ? B GLU 11  CD  
56  1 Y 1 B GLU 23  ? OE1 ? B GLU 11  OE1 
57  1 Y 1 B GLU 23  ? OE2 ? B GLU 11  OE2 
58  1 Y 1 B ASN 42  ? CG  ? B ASN 30  CG  
59  1 Y 1 B ASN 42  ? OD1 ? B ASN 30  OD1 
60  1 Y 1 B ASN 42  ? ND2 ? B ASN 30  ND2 
61  1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
62  1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
63  1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
64  1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
65  1 Y 1 B GLU 45  ? CG  ? B GLU 33  CG  
66  1 Y 1 B GLU 45  ? CD  ? B GLU 33  CD  
67  1 Y 1 B GLU 45  ? OE1 ? B GLU 33  OE1 
68  1 Y 1 B GLU 45  ? OE2 ? B GLU 33  OE2 
69  1 Y 1 B LYS 52  ? CD  ? B LYS 40  CD  
70  1 Y 1 B LYS 52  ? CE  ? B LYS 40  CE  
71  1 Y 1 B LYS 52  ? NZ  ? B LYS 40  NZ  
72  1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
73  1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
74  1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
75  1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
76  1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
77  1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
78  1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
79  1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
80  1 Y 1 B HIS 71  ? CG  ? B HIS 59  CG  
81  1 Y 1 B HIS 71  ? ND1 ? B HIS 59  ND1 
82  1 Y 1 B HIS 71  ? CD2 ? B HIS 59  CD2 
83  1 Y 1 B HIS 71  ? CE1 ? B HIS 59  CE1 
84  1 Y 1 B HIS 71  ? NE2 ? B HIS 59  NE2 
85  1 Y 1 B ASP 72  ? CG  ? B ASP 60  CG  
86  1 Y 1 B ASP 72  ? OD1 ? B ASP 60  OD1 
87  1 Y 1 B ASP 72  ? OD2 ? B ASP 60  OD2 
88  1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
89  1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
90  1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
91  1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
92  1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
93  1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
94  1 Y 1 B ASN 74  ? CG  ? B ASN 62  CG  
95  1 Y 1 B ASN 74  ? OD1 ? B ASN 62  OD1 
96  1 Y 1 B ASN 74  ? ND2 ? B ASN 62  ND2 
97  1 Y 1 B GLU 75  ? CG  ? B GLU 63  CG  
98  1 Y 1 B GLU 75  ? CD  ? B GLU 63  CD  
99  1 Y 1 B GLU 75  ? OE1 ? B GLU 63  OE1 
100 1 Y 1 B GLU 75  ? OE2 ? B GLU 63  OE2 
101 1 Y 1 B LYS 83  ? CG  ? B LYS 71  CG  
102 1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
103 1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
104 1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
105 1 Y 1 B LYS 88  ? CG  ? B LYS 76  CG  
106 1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
107 1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
108 1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
109 1 Y 1 B LYS 98  ? CG  ? B LYS 86  CG  
110 1 Y 1 B LYS 98  ? CD  ? B LYS 86  CD  
111 1 Y 1 B LYS 98  ? CE  ? B LYS 86  CE  
112 1 Y 1 B LYS 98  ? NZ  ? B LYS 86  NZ  
113 1 Y 1 B LYS 99  ? CG  ? B LYS 87  CG  
114 1 Y 1 B LYS 99  ? CD  ? B LYS 87  CD  
115 1 Y 1 B LYS 99  ? CE  ? B LYS 87  CE  
116 1 Y 1 B LYS 99  ? NZ  ? B LYS 87  NZ  
117 1 Y 1 B LYS 138 ? CG  ? B LYS 126 CG  
118 1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
119 1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
120 1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
121 1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
122 1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
123 1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
124 1 Y 1 B 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                     9GQ4 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.667 
_cell.length_a_esd                 ? 
_cell.length_b                     48.667 
_cell.length_b_esd                 ? 
_cell.length_c                     192.723 
_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                         9GQ4 
_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                   9GQ4 
_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             2.35 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.71 
_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    '20% PEG3350, 0.2M ammonium thiocyanate, 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         2022-03-18 
_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                                       9GQ4 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.80 
_reflns.d_resolution_low                               48.18 
_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                                     25641 
_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                                10.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          29.2 
_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                                0.040 
_reflns.pdbx_Rpim_I_all                                0.017 
_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                              0.037 
_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 48.18 ? 75.8 ? ? ? ? 273  ? ? ? ? ? ? ? ? ? ? ? 8.4  0.76 ? ? 0.021 0.008 ? 1 ? 1.000 ? ? 99.3  ? 0.019 ? ? ? ? ? ? ? ? ? 
1.80 1.84  ? 4.3  ? ? ? ? 1479 ? ? ? ? ? ? ? ? ? ? ? 10.9 0.99 ? ? 0.577 0.239 ? 2 ? 0.926 ? ? 100.0 ? 0.525 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.040 
_refine.aniso_B[1][2]                            -0.020 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.040 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.131 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               40.092 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.948 
_refine.correlation_coeff_Fo_to_Fc_free          0.938 
_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                                 9GQ4 
_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                             42.182 
_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                     25574 
_refine.ls_number_reflns_R_free                  1300 
_refine.ls_number_reflns_R_work                  24274 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.949 
_refine.ls_percent_reflns_R_free                 5.083 
_refine.ls_R_factor_all                          0.230 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2466 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2290 
_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                       0.149 
_refine.pdbx_overall_ESU_R_Free                  0.131 
_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                             6.728 
_refine.overall_SU_ML                            0.106 
_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                        42.182 
_refine_hist.number_atoms_solvent             133 
_refine_hist.number_atoms_total               2034 
_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        1829 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         72 
_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' ? 0.014  0.012  1945 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.016  1786 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.123  1.848  2636 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.236  1.811  4156 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.670  5.000  250  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.108 5.000  4    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.371 10.000 288  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.945 10.000 63   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.104  0.200  295  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.705  0.200  30   ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2217 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  399  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.204  0.200  370  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.197  0.200  1730 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  1013 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.095  0.200  1004 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.151  0.200  94   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.124  0.200  4    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.135  0.200  31   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.097  0.200  10   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.582  2.363  1012 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.581  2.363  1012 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.458  4.240  1258 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.457  4.238  1259 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.866  2.431  933  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.864  2.431  934  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.891  4.405  1378 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.890  4.404  1379 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.173  22.499 2164 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.197  22.156 2146 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.120  0.050  3259 ? 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 ? ? 0.12039 ? 0.05007 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.12039 ? 0.05007 2 'Local ncs' ? B ? ? ? 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  1839 . 82 1757 100.0000 . 0.273 . . 0.272 . . . . . 0.251 . 20 . 0.951 0.944 0.300 
'X-RAY DIFFRACTION' 1.847 1.897  1780 . 82 1697 99.9438  . 0.255 . . 0.255 . . . . . 0.233 . 20 . 0.957 0.960 0.242 
'X-RAY DIFFRACTION' 1.897 1.952  1789 . 74 1715 100.0000 . 0.267 . . 0.266 . . . . . 0.244 . 20 . 0.954 0.944 0.299 
'X-RAY DIFFRACTION' 1.952 2.012  1706 . 93 1613 100.0000 . 0.261 . . 0.260 . . . . . 0.236 . 20 . 0.954 0.953 0.275 
'X-RAY DIFFRACTION' 2.012 2.078  1619 . 89 1530 100.0000 . 0.255 . . 0.251 . . . . . 0.228 . 20 . 0.959 0.932 0.311 
'X-RAY DIFFRACTION' 2.078 2.151  1617 . 90 1527 100.0000 . 0.247 . . 0.245 . . . . . 0.227 . 20 . 0.960 0.953 0.280 
'X-RAY DIFFRACTION' 2.151 2.232  1570 . 68 1501 99.9363  . 0.243 . . 0.241 . . . . . 0.219 . 20 . 0.962 0.948 0.282 
'X-RAY DIFFRACTION' 2.232 2.322  1495 . 80 1415 100.0000 . 0.251 . . 0.251 . . . . . 0.230 . 20 . 0.960 0.961 0.257 
'X-RAY DIFFRACTION' 2.322 2.425  1447 . 87 1360 100.0000 . 0.244 . . 0.241 . . . . . 0.222 . 20 . 0.963 0.952 0.282 
'X-RAY DIFFRACTION' 2.425 2.543  1380 . 65 1315 100.0000 . 0.244 . . 0.242 . . . . . 0.225 . 20 . 0.962 0.955 0.273 
'X-RAY DIFFRACTION' 2.543 2.680  1320 . 57 1263 100.0000 . 0.244 . . 0.240 . . . . . 0.227 . 20 . 0.963 0.934 0.333 
'X-RAY DIFFRACTION' 2.680 2.842  1255 . 72 1183 100.0000 . 0.255 . . 0.250 . . . . . 0.240 . 20 . 0.958 0.922 0.347 
'X-RAY DIFFRACTION' 2.842 3.038  1184 . 72 1111 99.9155  . 0.249 . . 0.250 . . . . . 0.249 . 20 . 0.958 0.967 0.234 
'X-RAY DIFFRACTION' 3.038 3.279  1102 . 54 1047 99.9093  . 0.232 . . 0.227 . . . . . 0.227 . 20 . 0.967 0.944 0.329 
'X-RAY DIFFRACTION' 3.279 3.590  1014 . 56 958  100.0000 . 0.231 . . 0.232 . . . . . 0.239 . 20 . 0.971 0.972 0.215 
'X-RAY DIFFRACTION' 3.590 4.010  952  . 51 901  100.0000 . 0.199 . . 0.199 . . . . . 0.209 . 20 . 0.979 0.979 0.190 
'X-RAY DIFFRACTION' 4.010 4.624  834  . 38 794  99.7602  . 0.166 . . 0.167 . . . . . 0.188 . 20 . 0.984 0.986 0.154 
'X-RAY DIFFRACTION' 4.624 5.646  730  . 41 687  99.7260  . 0.183 . . 0.183 . . . . . 0.214 . 20 . 0.981 0.983 0.177 
'X-RAY DIFFRACTION' 5.646 7.914  579  . 36 542  99.8273  . 0.266 . . 0.269 . . . . . 0.303 . 20 . 0.966 0.967 0.222 
'X-RAY DIFFRACTION' 7.914 42.182 374  . 13 358  99.1979  . 0.272 . . 0.270 . . . . . 0.369 . 20 . 0.937 0.890 0.333 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 A 
2 1 B 
# 
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 THR 5 . A GLY 127 . A THR 17 A GLY 139 ? ? 
1 2 1 B THR 5 . B GLY 127 . B THR 17 B GLY 139 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GQ4 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog p5(3,1)-(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        9GQ4 
_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 9GQ4 A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GQ4 B 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 9GQ4 GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GQ4 ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GQ4 PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GQ4 THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GQ4 ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GQ4 ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GQ4 GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GQ4 ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GQ4 PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GQ4 THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GQ4 ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GQ4 ILE B 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 HIS A 59 ? ASN A 62  ? HIS A 71  ASN A 74  5 ? 4 
HELX_P HELX_P2 AA2 ILE A 75 ? ALA A 83  ? ILE A 87  ALA A 95  1 ? 9 
HELX_P HELX_P3 AA3 PRO A 97 ? ALA A 100 ? PRO A 109 ALA A 112 5 ? 4 
HELX_P HELX_P4 AA4 ALA B 2  ? GLY B 10  ? ALA B 14  GLY B 22  1 ? 9 
HELX_P HELX_P5 AA5 HIS B 59 ? ASN B 62  ? HIS B 71  ASN B 74  5 ? 4 
HELX_P HELX_P6 AA6 ILE B 75 ? ALA B 83  ? ILE B 87  ALA B 95  1 ? 9 
HELX_P HELX_P7 AA7 PRO B 97 ? ALA B 100 ? PRO B 109 ALA B 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 A PRO 108 A ? PRO 120 A 1 1.14 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 0.39 
# 
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 A 23  ASP A 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE A 67  SER A 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE A 77  SER A 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE B 67  SER B 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE B 77  SER B 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 A 23  O LYS A 23  ? O LYS A 35  
AA1 2 3 N LYS A 26  ? N LYS A 38  O ILE A 90  ? O ILE A 102 
AA1 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA1 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA1 5 6 N GLY A 47  ? N GLY A 59  O ASP A 56  ? O ASP A 68  
AA2 1 2 N GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA2 2 3 N LYS A 26  ? N LYS A 38  O ILE A 90  ? O ILE A 102 
AA2 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA2 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA2 5 6 N VAL A 41  ? N VAL A 53  O PHE A 67  ? O PHE A 79  
AA3 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA3 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA3 3 4 N ALA B 91  ? N ALA B 103 O ILE B 120 ? O ILE B 132 
AA3 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA3 5 6 N GLY B 47  ? N GLY B 59  O ASP B 56  ? O ASP B 68  
AA4 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA4 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA4 3 4 N ALA B 91  ? N ALA B 103 O ILE B 120 ? O ILE B 132 
AA4 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA4 5 6 N VAL B 41  ? N VAL B 53  O PHE B 67  ? O PHE B 79  
# 
_pdbx_entry_details.entry_id                   9GQ4 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_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    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     370 
_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    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     370 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   5_555 
_pdbx_validate_symm_contact.dist              1.93 
# 
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 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH2 A ARG 31 ? ? 116.97 120.30 -3.33  0.50 N 
2 1 NE B ARG 31 ? ? CZ B ARG 31 ? ? NH1 B ARG 31 ? ? 123.67 120.30 3.37   0.50 N 
3 1 CG B MET 97 ? ? SD B MET 97 ? ? CE  B MET 97 ? ? 76.01  100.20 -24.19 1.60 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 A 112 ? ? -132.26 -105.98 
2 1 SER A 118 ? ? -155.39 72.20   
3 1 ASN B 74  ? ? 75.08   -2.66   
4 1 ALA B 112 ? ? -125.96 -103.14 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     345 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 -9.6140  15.3980 28.1011 0.0267 ? -0.0179 ? -0.0201 ? 0.0184 ? 0.0008  ? 0.0913 ? 2.6358 ? -0.1722 
? 0.3231 ? 3.3261 ? 0.9506  ? 3.8206 ? -0.1462 ? 0.0979  ? 0.4141  ? 0.1213  ? 0.0133 ? -0.2215 ? -0.0362 ? -0.0368 ? 0.1329  ? 
2 'X-RAY DIFFRACTION' ? refined -18.4703 -0.8048 3.3482  0.1634 ? -0.0829 ? -0.0110 ? 0.0516 ? -0.0161 ? 0.1158 ? 3.7544 ? -1.1812 
? 0.5043 ? 5.7083 ? -0.2663 ? 3.6553 ? -0.0412 ? -0.0178 ? -0.0423 ? -0.5203 ? 0.1221 ? 0.6695  ? 0.2058  ? -0.2250 ? -0.0809 ? 
# 
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 ? ? A 17 ? ? ? A 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 13 ? ? ? B 201 ? ALL ? 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A GLY 13 ? A GLY 1 
2 1 Y 1 A ALA 14 ? A ALA 2 
3 1 Y 1 A PRO 15 ? A PRO 3 
4 1 Y 1 A ALA 16 ? A ALA 4 
# 
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 
A1IN2 CAK  C N N 1   
A1IN2 CAL  C N N 2   
A1IN2 CAM  C N N 3   
A1IN2 CAN  C N N 4   
A1IN2 CAO  C N N 5   
A1IN2 CAJ  C N N 6   
A1IN2 CAI  C N S 7   
A1IN2 CAB  C N N 8   
A1IN2 OAA  O N N 9   
A1IN2 N    N N N 10  
A1IN2 CAH  C N N 11  
A1IN2 CAG  C N N 12  
A1IN2 CAF  C N N 13  
A1IN2 CB   C N N 14  
A1IN2 CA   C N S 15  
A1IN2 C    C N N 16  
A1IN2 O    O N N 17  
A1IN2 OBB  O N N 18  
A1IN2 CBA  C N N 19  
A1IN2 CAZ  C N N 20  
A1IN2 OAY  O N N 21  
A1IN2 CAX  C N N 22  
A1IN2 CBI  C N N 23  
A1IN2 CAW  C N N 24  
A1IN2 CBJ  C N N 25  
A1IN2 OAV  O N N 26  
A1IN2 CAU  C Y N 27  
A1IN2 CAR  C Y N 28  
A1IN2 OAS  O N N 29  
A1IN2 CAT  C N N 30  
A1IN2 CAQ  C Y N 31  
A1IN2 CAP  C Y N 32  
A1IN2 CBH  C Y N 33  
A1IN2 CBE  C Y N 34  
A1IN2 OBF  O N N 35  
A1IN2 CBG  C N N 36  
A1IN2 HAK  H N N 37  
A1IN2 HB6  H N N 38  
A1IN2 HAL  H N N 39  
A1IN2 HB7  H N N 40  
A1IN2 HAM  H N N 41  
A1IN2 HB8  H N N 42  
A1IN2 HAN  H N N 43  
A1IN2 HB9  H N N 44  
A1IN2 HCA  H N N 45  
A1IN2 HAO  H N N 46  
A1IN2 HAJ  H N N 47  
A1IN2 HAI  H N N 48  
A1IN2 HAH  H N N 49  
A1IN2 HB5  H N N 50  
A1IN2 HAG  H N N 51  
A1IN2 HB4  H N N 52  
A1IN2 HAF  H N N 53  
A1IN2 HB3  H N N 54  
A1IN2 HB2  H N N 55  
A1IN2 HB1  H N N 56  
A1IN2 HA   H N N 57  
A1IN2 HCF  H N N 58  
A1IN2 HBA  H N N 59  
A1IN2 HCE  H N N 60  
A1IN2 HAZ  H N N 61  
A1IN2 HCD  H N N 62  
A1IN2 HAX  H N N 63  
A1IN2 HBI  H N N 64  
A1IN2 HAW  H N N 65  
A1IN2 HBJ  H N N 66  
A1IN2 HCI  H N N 67  
A1IN2 HCC  H N N 68  
A1IN2 HAT  H N N 69  
A1IN2 HCB  H N N 70  
A1IN2 HAQ  H N N 71  
A1IN2 HBH  H N N 72  
A1IN2 HCH  H N N 73  
A1IN2 HBG  H N N 74  
A1IN2 HCG  H N N 75  
ALA   N    N N N 76  
ALA   CA   C N S 77  
ALA   C    C N N 78  
ALA   O    O N N 79  
ALA   CB   C N N 80  
ALA   OXT  O N N 81  
ALA   H    H N N 82  
ALA   H2   H N N 83  
ALA   HA   H N N 84  
ALA   HB1  H N N 85  
ALA   HB2  H N N 86  
ALA   HB3  H N N 87  
ALA   HXT  H N N 88  
ARG   N    N N N 89  
ARG   CA   C N S 90  
ARG   C    C N N 91  
ARG   O    O N N 92  
ARG   CB   C N N 93  
ARG   CG   C N N 94  
ARG   CD   C N N 95  
ARG   NE   N N N 96  
ARG   CZ   C N N 97  
ARG   NH1  N N N 98  
ARG   NH2  N N N 99  
ARG   OXT  O N N 100 
ARG   H    H N N 101 
ARG   H2   H N N 102 
ARG   HA   H N N 103 
ARG   HB2  H N N 104 
ARG   HB3  H N N 105 
ARG   HG2  H N N 106 
ARG   HG3  H N N 107 
ARG   HD2  H N N 108 
ARG   HD3  H N N 109 
ARG   HE   H N N 110 
ARG   HH11 H N N 111 
ARG   HH12 H N N 112 
ARG   HH21 H N N 113 
ARG   HH22 H N N 114 
ARG   HXT  H N N 115 
ASN   N    N N N 116 
ASN   CA   C N S 117 
ASN   C    C N N 118 
ASN   O    O N N 119 
ASN   CB   C N N 120 
ASN   CG   C N N 121 
ASN   OD1  O N N 122 
ASN   ND2  N N N 123 
ASN   OXT  O N N 124 
ASN   H    H N N 125 
ASN   H2   H N N 126 
ASN   HA   H N N 127 
ASN   HB2  H N N 128 
ASN   HB3  H N N 129 
ASN   HD21 H N N 130 
ASN   HD22 H N N 131 
ASN   HXT  H N N 132 
ASP   N    N N N 133 
ASP   CA   C N S 134 
ASP   C    C N N 135 
ASP   O    O N N 136 
ASP   CB   C N N 137 
ASP   CG   C N N 138 
ASP   OD1  O N N 139 
ASP   OD2  O N N 140 
ASP   OXT  O N N 141 
ASP   H    H N N 142 
ASP   H2   H N N 143 
ASP   HA   H N N 144 
ASP   HB2  H N N 145 
ASP   HB3  H N N 146 
ASP   HD2  H N N 147 
ASP   HXT  H N N 148 
CYS   N    N N N 149 
CYS   CA   C N R 150 
CYS   C    C N N 151 
CYS   O    O N N 152 
CYS   CB   C N N 153 
CYS   SG   S N N 154 
CYS   OXT  O N N 155 
CYS   H    H N N 156 
CYS   H2   H N N 157 
CYS   HA   H N N 158 
CYS   HB2  H N N 159 
CYS   HB3  H N N 160 
CYS   HG   H N N 161 
CYS   HXT  H N N 162 
GLN   N    N N N 163 
GLN   CA   C N S 164 
GLN   C    C N N 165 
GLN   O    O N N 166 
GLN   CB   C N N 167 
GLN   CG   C N N 168 
GLN   CD   C N N 169 
GLN   OE1  O N N 170 
GLN   NE2  N N N 171 
GLN   OXT  O N N 172 
GLN   H    H N N 173 
GLN   H2   H N N 174 
GLN   HA   H N N 175 
GLN   HB2  H N N 176 
GLN   HB3  H N N 177 
GLN   HG2  H N N 178 
GLN   HG3  H N N 179 
GLN   HE21 H N N 180 
GLN   HE22 H N N 181 
GLN   HXT  H N N 182 
GLU   N    N N N 183 
GLU   CA   C N S 184 
GLU   C    C N N 185 
GLU   O    O N N 186 
GLU   CB   C N N 187 
GLU   CG   C N N 188 
GLU   CD   C N N 189 
GLU   OE1  O N N 190 
GLU   OE2  O N N 191 
GLU   OXT  O N N 192 
GLU   H    H N N 193 
GLU   H2   H N N 194 
GLU   HA   H N N 195 
GLU   HB2  H N N 196 
GLU   HB3  H N N 197 
GLU   HG2  H N N 198 
GLU   HG3  H N N 199 
GLU   HE2  H N N 200 
GLU   HXT  H N N 201 
GLY   N    N N N 202 
GLY   CA   C N N 203 
GLY   C    C N N 204 
GLY   O    O N N 205 
GLY   OXT  O N N 206 
GLY   H    H N N 207 
GLY   H2   H N N 208 
GLY   HA2  H N N 209 
GLY   HA3  H N N 210 
GLY   HXT  H N N 211 
HIS   N    N N N 212 
HIS   CA   C N S 213 
HIS   C    C N N 214 
HIS   O    O N N 215 
HIS   CB   C N N 216 
HIS   CG   C Y N 217 
HIS   ND1  N Y N 218 
HIS   CD2  C Y N 219 
HIS   CE1  C Y N 220 
HIS   NE2  N Y N 221 
HIS   OXT  O N N 222 
HIS   H    H N N 223 
HIS   H2   H N N 224 
HIS   HA   H N N 225 
HIS   HB2  H N N 226 
HIS   HB3  H N N 227 
HIS   HD1  H N N 228 
HIS   HD2  H N N 229 
HIS   HE1  H N N 230 
HIS   HE2  H N N 231 
HIS   HXT  H N N 232 
HOH   O    O N N 233 
HOH   H1   H N N 234 
HOH   H2   H N N 235 
ILE   N    N N N 236 
ILE   CA   C N S 237 
ILE   C    C N N 238 
ILE   O    O N N 239 
ILE   CB   C N S 240 
ILE   CG1  C N N 241 
ILE   CG2  C N N 242 
ILE   CD1  C N N 243 
ILE   OXT  O N N 244 
ILE   H    H N N 245 
ILE   H2   H N N 246 
ILE   HA   H N N 247 
ILE   HB   H N N 248 
ILE   HG12 H N N 249 
ILE   HG13 H N N 250 
ILE   HG21 H N N 251 
ILE   HG22 H N N 252 
ILE   HG23 H N N 253 
ILE   HD11 H N N 254 
ILE   HD12 H N N 255 
ILE   HD13 H N N 256 
ILE   HXT  H N N 257 
LEU   N    N N N 258 
LEU   CA   C N S 259 
LEU   C    C N N 260 
LEU   O    O N N 261 
LEU   CB   C N N 262 
LEU   CG   C N N 263 
LEU   CD1  C N N 264 
LEU   CD2  C N N 265 
LEU   OXT  O N N 266 
LEU   H    H N N 267 
LEU   H2   H N N 268 
LEU   HA   H N N 269 
LEU   HB2  H N N 270 
LEU   HB3  H N N 271 
LEU   HG   H N N 272 
LEU   HD11 H N N 273 
LEU   HD12 H N N 274 
LEU   HD13 H N N 275 
LEU   HD21 H N N 276 
LEU   HD22 H N N 277 
LEU   HD23 H N N 278 
LEU   HXT  H N N 279 
LYS   N    N N N 280 
LYS   CA   C N S 281 
LYS   C    C N N 282 
LYS   O    O N N 283 
LYS   CB   C N N 284 
LYS   CG   C N N 285 
LYS   CD   C N N 286 
LYS   CE   C N N 287 
LYS   NZ   N N N 288 
LYS   OXT  O N N 289 
LYS   H    H N N 290 
LYS   H2   H N N 291 
LYS   HA   H N N 292 
LYS   HB2  H N N 293 
LYS   HB3  H N N 294 
LYS   HG2  H N N 295 
LYS   HG3  H N N 296 
LYS   HD2  H N N 297 
LYS   HD3  H N N 298 
LYS   HE2  H N N 299 
LYS   HE3  H N N 300 
LYS   HZ1  H N N 301 
LYS   HZ2  H N N 302 
LYS   HZ3  H N N 303 
LYS   HXT  H N N 304 
MET   N    N N N 305 
MET   CA   C N S 306 
MET   C    C N N 307 
MET   O    O N N 308 
MET   CB   C N N 309 
MET   CG   C N N 310 
MET   SD   S N N 311 
MET   CE   C N N 312 
MET   OXT  O N N 313 
MET   H    H N N 314 
MET   H2   H N N 315 
MET   HA   H N N 316 
MET   HB2  H N N 317 
MET   HB3  H N N 318 
MET   HG2  H N N 319 
MET   HG3  H N N 320 
MET   HE1  H N N 321 
MET   HE2  H N N 322 
MET   HE3  H N N 323 
MET   HXT  H N N 324 
PHE   N    N N N 325 
PHE   CA   C N S 326 
PHE   C    C N N 327 
PHE   O    O N N 328 
PHE   CB   C N N 329 
PHE   CG   C Y N 330 
PHE   CD1  C Y N 331 
PHE   CD2  C Y N 332 
PHE   CE1  C Y N 333 
PHE   CE2  C Y N 334 
PHE   CZ   C Y N 335 
PHE   OXT  O N N 336 
PHE   H    H N N 337 
PHE   H2   H N N 338 
PHE   HA   H N N 339 
PHE   HB2  H N N 340 
PHE   HB3  H N N 341 
PHE   HD1  H N N 342 
PHE   HD2  H N N 343 
PHE   HE1  H N N 344 
PHE   HE2  H N N 345 
PHE   HZ   H N N 346 
PHE   HXT  H N N 347 
PRO   N    N N N 348 
PRO   CA   C N S 349 
PRO   C    C N N 350 
PRO   O    O N N 351 
PRO   CB   C N N 352 
PRO   CG   C N N 353 
PRO   CD   C N N 354 
PRO   OXT  O N N 355 
PRO   H    H N N 356 
PRO   HA   H N N 357 
PRO   HB2  H N N 358 
PRO   HB3  H N N 359 
PRO   HG2  H N N 360 
PRO   HG3  H N N 361 
PRO   HD2  H N N 362 
PRO   HD3  H N N 363 
PRO   HXT  H N N 364 
SER   N    N N N 365 
SER   CA   C N S 366 
SER   C    C N N 367 
SER   O    O N N 368 
SER   CB   C N N 369 
SER   OG   O N N 370 
SER   OXT  O N N 371 
SER   H    H N N 372 
SER   H2   H N N 373 
SER   HA   H N N 374 
SER   HB2  H N N 375 
SER   HB3  H N N 376 
SER   HG   H N N 377 
SER   HXT  H N N 378 
THR   N    N N N 379 
THR   CA   C N S 380 
THR   C    C N N 381 
THR   O    O N N 382 
THR   CB   C N R 383 
THR   OG1  O N N 384 
THR   CG2  C N N 385 
THR   OXT  O N N 386 
THR   H    H N N 387 
THR   H2   H N N 388 
THR   HA   H N N 389 
THR   HB   H N N 390 
THR   HG1  H N N 391 
THR   HG21 H N N 392 
THR   HG22 H N N 393 
THR   HG23 H N N 394 
THR   HXT  H N N 395 
TRP   N    N N N 396 
TRP   CA   C N S 397 
TRP   C    C N N 398 
TRP   O    O N N 399 
TRP   CB   C N N 400 
TRP   CG   C Y N 401 
TRP   CD1  C Y N 402 
TRP   CD2  C Y N 403 
TRP   NE1  N Y N 404 
TRP   CE2  C Y N 405 
TRP   CE3  C Y N 406 
TRP   CZ2  C Y N 407 
TRP   CZ3  C Y N 408 
TRP   CH2  C Y N 409 
TRP   OXT  O N N 410 
TRP   H    H N N 411 
TRP   H2   H N N 412 
TRP   HA   H N N 413 
TRP   HB2  H N N 414 
TRP   HB3  H N N 415 
TRP   HD1  H N N 416 
TRP   HE1  H N N 417 
TRP   HE3  H N N 418 
TRP   HZ2  H N N 419 
TRP   HZ3  H N N 420 
TRP   HH2  H N N 421 
TRP   HXT  H N N 422 
TYR   N    N N N 423 
TYR   CA   C N S 424 
TYR   C    C N N 425 
TYR   O    O N N 426 
TYR   CB   C N N 427 
TYR   CG   C Y N 428 
TYR   CD1  C Y N 429 
TYR   CD2  C Y N 430 
TYR   CE1  C Y N 431 
TYR   CE2  C Y N 432 
TYR   CZ   C Y N 433 
TYR   OH   O N N 434 
TYR   OXT  O N N 435 
TYR   H    H N N 436 
TYR   H2   H N N 437 
TYR   HA   H N N 438 
TYR   HB2  H N N 439 
TYR   HB3  H N N 440 
TYR   HD1  H N N 441 
TYR   HD2  H N N 442 
TYR   HE1  H N N 443 
TYR   HE2  H N N 444 
TYR   HH   H N N 445 
TYR   HXT  H N N 446 
VAL   N    N N N 447 
VAL   CA   C N S 448 
VAL   C    C N N 449 
VAL   O    O N N 450 
VAL   CB   C N N 451 
VAL   CG1  C N N 452 
VAL   CG2  C N N 453 
VAL   OXT  O N N 454 
VAL   H    H N N 455 
VAL   H2   H N N 456 
VAL   HA   H N N 457 
VAL   HB   H N N 458 
VAL   HG11 H N N 459 
VAL   HG12 H N N 460 
VAL   HG13 H N N 461 
VAL   HG21 H N N 462 
VAL   HG22 H N N 463 
VAL   HG23 H N N 464 
VAL   HXT  H N N 465 
# 
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 
A1IN2 CBJ CAW  sing N N 1   
A1IN2 CBJ OAV  sing N N 2   
A1IN2 CAW CBI  doub N E 3   
A1IN2 OAV CAU  sing N N 4   
A1IN2 CBI CAX  sing N N 5   
A1IN2 CAX OAY  sing N N 6   
A1IN2 OAS CAT  sing N N 7   
A1IN2 OAS CAR  sing N N 8   
A1IN2 CAU CAR  doub Y N 9   
A1IN2 CAU CBE  sing Y N 10  
A1IN2 OBF CBE  sing N N 11  
A1IN2 OBF CBG  sing N N 12  
A1IN2 CAR CAQ  sing Y N 13  
A1IN2 CBE CBH  doub Y N 14  
A1IN2 OAY CAZ  sing N N 15  
A1IN2 CAZ CBA  sing N N 16  
A1IN2 CAQ CAP  doub Y N 17  
A1IN2 CBH CAP  sing Y N 18  
A1IN2 CBA OBB  sing N N 19  
A1IN2 CAP CAI  sing N N 20  
A1IN2 OBB C    sing N N 21  
A1IN2 CAK CAL  sing N N 22  
A1IN2 CAK CAJ  sing N N 23  
A1IN2 CAL CAM  sing N N 24  
A1IN2 CAI CAJ  sing N N 25  
A1IN2 CAI CAB  sing N N 26  
A1IN2 CAJ CAO  sing N N 27  
A1IN2 C   O    doub N N 28  
A1IN2 C   CA   sing N N 29  
A1IN2 CAH N    sing N N 30  
A1IN2 CAH CAG  sing N N 31  
A1IN2 CAB OAA  doub N N 32  
A1IN2 CAB N    sing N N 33  
A1IN2 N   CA   sing N N 34  
A1IN2 CAM CAN  sing N N 35  
A1IN2 CA  CB   sing N N 36  
A1IN2 CAG CAF  sing N N 37  
A1IN2 CAF CB   sing N N 38  
A1IN2 CAO CAN  sing N N 39  
A1IN2 CAK HAK  sing N N 40  
A1IN2 CAK HB6  sing N N 41  
A1IN2 CAL HAL  sing N N 42  
A1IN2 CAL HB7  sing N N 43  
A1IN2 CAM HAM  sing N N 44  
A1IN2 CAM HB8  sing N N 45  
A1IN2 CAN HAN  sing N N 46  
A1IN2 CAN HB9  sing N N 47  
A1IN2 CAO HCA  sing N N 48  
A1IN2 CAO HAO  sing N N 49  
A1IN2 CAJ HAJ  sing N N 50  
A1IN2 CAI HAI  sing N N 51  
A1IN2 CAH HAH  sing N N 52  
A1IN2 CAH HB5  sing N N 53  
A1IN2 CAG HAG  sing N N 54  
A1IN2 CAG HB4  sing N N 55  
A1IN2 CAF HAF  sing N N 56  
A1IN2 CAF HB3  sing N N 57  
A1IN2 CB  HB2  sing N N 58  
A1IN2 CB  HB1  sing N N 59  
A1IN2 CA  HA   sing N N 60  
A1IN2 CBA HCF  sing N N 61  
A1IN2 CBA HBA  sing N N 62  
A1IN2 CAZ HCE  sing N N 63  
A1IN2 CAZ HAZ  sing N N 64  
A1IN2 CAX HCD  sing N N 65  
A1IN2 CAX HAX  sing N N 66  
A1IN2 CBI HBI  sing N N 67  
A1IN2 CAW HAW  sing N N 68  
A1IN2 CBJ HBJ  sing N N 69  
A1IN2 CBJ HCI  sing N N 70  
A1IN2 CAT HCC  sing N N 71  
A1IN2 CAT HAT  sing N N 72  
A1IN2 CAT HCB  sing N N 73  
A1IN2 CAQ HAQ  sing N N 74  
A1IN2 CBH HBH  sing N N 75  
A1IN2 CBG HCH  sing N N 76  
A1IN2 CBG HBG  sing N N 77  
A1IN2 CBG HCG  sing N N 78  
ALA   N   CA   sing N N 79  
ALA   N   H    sing N N 80  
ALA   N   H2   sing N N 81  
ALA   CA  C    sing N N 82  
ALA   CA  CB   sing N N 83  
ALA   CA  HA   sing N N 84  
ALA   C   O    doub N N 85  
ALA   C   OXT  sing N N 86  
ALA   CB  HB1  sing N N 87  
ALA   CB  HB2  sing N N 88  
ALA   CB  HB3  sing N N 89  
ALA   OXT HXT  sing N N 90  
ARG   N   CA   sing N N 91  
ARG   N   H    sing N N 92  
ARG   N   H2   sing N N 93  
ARG   CA  C    sing N N 94  
ARG   CA  CB   sing N N 95  
ARG   CA  HA   sing N N 96  
ARG   C   O    doub N N 97  
ARG   C   OXT  sing N N 98  
ARG   CB  CG   sing N N 99  
ARG   CB  HB2  sing N N 100 
ARG   CB  HB3  sing N N 101 
ARG   CG  CD   sing N N 102 
ARG   CG  HG2  sing N N 103 
ARG   CG  HG3  sing N N 104 
ARG   CD  NE   sing N N 105 
ARG   CD  HD2  sing N N 106 
ARG   CD  HD3  sing N N 107 
ARG   NE  CZ   sing N N 108 
ARG   NE  HE   sing N N 109 
ARG   CZ  NH1  sing N N 110 
ARG   CZ  NH2  doub N N 111 
ARG   NH1 HH11 sing N N 112 
ARG   NH1 HH12 sing N N 113 
ARG   NH2 HH21 sing N N 114 
ARG   NH2 HH22 sing N N 115 
ARG   OXT HXT  sing N N 116 
ASN   N   CA   sing N N 117 
ASN   N   H    sing N N 118 
ASN   N   H2   sing N N 119 
ASN   CA  C    sing N N 120 
ASN   CA  CB   sing N N 121 
ASN   CA  HA   sing N N 122 
ASN   C   O    doub N N 123 
ASN   C   OXT  sing N N 124 
ASN   CB  CG   sing N N 125 
ASN   CB  HB2  sing N N 126 
ASN   CB  HB3  sing N N 127 
ASN   CG  OD1  doub N N 128 
ASN   CG  ND2  sing N N 129 
ASN   ND2 HD21 sing N N 130 
ASN   ND2 HD22 sing N N 131 
ASN   OXT HXT  sing N N 132 
ASP   N   CA   sing N N 133 
ASP   N   H    sing N N 134 
ASP   N   H2   sing N N 135 
ASP   CA  C    sing N N 136 
ASP   CA  CB   sing N N 137 
ASP   CA  HA   sing N N 138 
ASP   C   O    doub N N 139 
ASP   C   OXT  sing N N 140 
ASP   CB  CG   sing N N 141 
ASP   CB  HB2  sing N N 142 
ASP   CB  HB3  sing N N 143 
ASP   CG  OD1  doub N N 144 
ASP   CG  OD2  sing N N 145 
ASP   OD2 HD2  sing N N 146 
ASP   OXT HXT  sing N N 147 
CYS   N   CA   sing N N 148 
CYS   N   H    sing N N 149 
CYS   N   H2   sing N N 150 
CYS   CA  C    sing N N 151 
CYS   CA  CB   sing N N 152 
CYS   CA  HA   sing N N 153 
CYS   C   O    doub N N 154 
CYS   C   OXT  sing N N 155 
CYS   CB  SG   sing N N 156 
CYS   CB  HB2  sing N N 157 
CYS   CB  HB3  sing N N 158 
CYS   SG  HG   sing N N 159 
CYS   OXT HXT  sing N N 160 
GLN   N   CA   sing N N 161 
GLN   N   H    sing N N 162 
GLN   N   H2   sing N N 163 
GLN   CA  C    sing N N 164 
GLN   CA  CB   sing N N 165 
GLN   CA  HA   sing N N 166 
GLN   C   O    doub N N 167 
GLN   C   OXT  sing N N 168 
GLN   CB  CG   sing N N 169 
GLN   CB  HB2  sing N N 170 
GLN   CB  HB3  sing N N 171 
GLN   CG  CD   sing N N 172 
GLN   CG  HG2  sing N N 173 
GLN   CG  HG3  sing N N 174 
GLN   CD  OE1  doub N N 175 
GLN   CD  NE2  sing N N 176 
GLN   NE2 HE21 sing N N 177 
GLN   NE2 HE22 sing N N 178 
GLN   OXT HXT  sing N N 179 
GLU   N   CA   sing N N 180 
GLU   N   H    sing N N 181 
GLU   N   H2   sing N N 182 
GLU   CA  C    sing N N 183 
GLU   CA  CB   sing N N 184 
GLU   CA  HA   sing N N 185 
GLU   C   O    doub N N 186 
GLU   C   OXT  sing N N 187 
GLU   CB  CG   sing N N 188 
GLU   CB  HB2  sing N N 189 
GLU   CB  HB3  sing N N 190 
GLU   CG  CD   sing N N 191 
GLU   CG  HG2  sing N N 192 
GLU   CG  HG3  sing N N 193 
GLU   CD  OE1  doub N N 194 
GLU   CD  OE2  sing N N 195 
GLU   OE2 HE2  sing N N 196 
GLU   OXT HXT  sing N N 197 
GLY   N   CA   sing N N 198 
GLY   N   H    sing N N 199 
GLY   N   H2   sing N N 200 
GLY   CA  C    sing N N 201 
GLY   CA  HA2  sing N N 202 
GLY   CA  HA3  sing N N 203 
GLY   C   O    doub N N 204 
GLY   C   OXT  sing N N 205 
GLY   OXT HXT  sing N N 206 
HIS   N   CA   sing N N 207 
HIS   N   H    sing N N 208 
HIS   N   H2   sing N N 209 
HIS   CA  C    sing N N 210 
HIS   CA  CB   sing N N 211 
HIS   CA  HA   sing N N 212 
HIS   C   O    doub N N 213 
HIS   C   OXT  sing N N 214 
HIS   CB  CG   sing N N 215 
HIS   CB  HB2  sing N N 216 
HIS   CB  HB3  sing N N 217 
HIS   CG  ND1  sing Y N 218 
HIS   CG  CD2  doub Y N 219 
HIS   ND1 CE1  doub Y N 220 
HIS   ND1 HD1  sing N N 221 
HIS   CD2 NE2  sing Y N 222 
HIS   CD2 HD2  sing N N 223 
HIS   CE1 NE2  sing Y N 224 
HIS   CE1 HE1  sing N N 225 
HIS   NE2 HE2  sing N N 226 
HIS   OXT HXT  sing N N 227 
HOH   O   H1   sing N N 228 
HOH   O   H2   sing N N 229 
ILE   N   CA   sing N N 230 
ILE   N   H    sing N N 231 
ILE   N   H2   sing N N 232 
ILE   CA  C    sing N N 233 
ILE   CA  CB   sing N N 234 
ILE   CA  HA   sing N N 235 
ILE   C   O    doub N N 236 
ILE   C   OXT  sing N N 237 
ILE   CB  CG1  sing N N 238 
ILE   CB  CG2  sing N N 239 
ILE   CB  HB   sing N N 240 
ILE   CG1 CD1  sing N N 241 
ILE   CG1 HG12 sing N N 242 
ILE   CG1 HG13 sing N N 243 
ILE   CG2 HG21 sing N N 244 
ILE   CG2 HG22 sing N N 245 
ILE   CG2 HG23 sing N N 246 
ILE   CD1 HD11 sing N N 247 
ILE   CD1 HD12 sing N N 248 
ILE   CD1 HD13 sing N N 249 
ILE   OXT HXT  sing N N 250 
LEU   N   CA   sing N N 251 
LEU   N   H    sing N N 252 
LEU   N   H2   sing N N 253 
LEU   CA  C    sing N N 254 
LEU   CA  CB   sing N N 255 
LEU   CA  HA   sing N N 256 
LEU   C   O    doub N N 257 
LEU   C   OXT  sing N N 258 
LEU   CB  CG   sing N N 259 
LEU   CB  HB2  sing N N 260 
LEU   CB  HB3  sing N N 261 
LEU   CG  CD1  sing N N 262 
LEU   CG  CD2  sing N N 263 
LEU   CG  HG   sing N N 264 
LEU   CD1 HD11 sing N N 265 
LEU   CD1 HD12 sing N N 266 
LEU   CD1 HD13 sing N N 267 
LEU   CD2 HD21 sing N N 268 
LEU   CD2 HD22 sing N N 269 
LEU   CD2 HD23 sing N N 270 
LEU   OXT HXT  sing N N 271 
LYS   N   CA   sing N N 272 
LYS   N   H    sing N N 273 
LYS   N   H2   sing N N 274 
LYS   CA  C    sing N N 275 
LYS   CA  CB   sing N N 276 
LYS   CA  HA   sing N N 277 
LYS   C   O    doub N N 278 
LYS   C   OXT  sing N N 279 
LYS   CB  CG   sing N N 280 
LYS   CB  HB2  sing N N 281 
LYS   CB  HB3  sing N N 282 
LYS   CG  CD   sing N N 283 
LYS   CG  HG2  sing N N 284 
LYS   CG  HG3  sing N N 285 
LYS   CD  CE   sing N N 286 
LYS   CD  HD2  sing N N 287 
LYS   CD  HD3  sing N N 288 
LYS   CE  NZ   sing N N 289 
LYS   CE  HE2  sing N N 290 
LYS   CE  HE3  sing N N 291 
LYS   NZ  HZ1  sing N N 292 
LYS   NZ  HZ2  sing N N 293 
LYS   NZ  HZ3  sing N N 294 
LYS   OXT HXT  sing N N 295 
MET   N   CA   sing N N 296 
MET   N   H    sing N N 297 
MET   N   H2   sing N N 298 
MET   CA  C    sing N N 299 
MET   CA  CB   sing N N 300 
MET   CA  HA   sing N N 301 
MET   C   O    doub N N 302 
MET   C   OXT  sing N N 303 
MET   CB  CG   sing N N 304 
MET   CB  HB2  sing N N 305 
MET   CB  HB3  sing N N 306 
MET   CG  SD   sing N N 307 
MET   CG  HG2  sing N N 308 
MET   CG  HG3  sing N N 309 
MET   SD  CE   sing N N 310 
MET   CE  HE1  sing N N 311 
MET   CE  HE2  sing N N 312 
MET   CE  HE3  sing N N 313 
MET   OXT HXT  sing N N 314 
PHE   N   CA   sing N N 315 
PHE   N   H    sing N N 316 
PHE   N   H2   sing N N 317 
PHE   CA  C    sing N N 318 
PHE   CA  CB   sing N N 319 
PHE   CA  HA   sing N N 320 
PHE   C   O    doub N N 321 
PHE   C   OXT  sing N N 322 
PHE   CB  CG   sing N N 323 
PHE   CB  HB2  sing N N 324 
PHE   CB  HB3  sing N N 325 
PHE   CG  CD1  doub Y N 326 
PHE   CG  CD2  sing Y N 327 
PHE   CD1 CE1  sing Y N 328 
PHE   CD1 HD1  sing N N 329 
PHE   CD2 CE2  doub Y N 330 
PHE   CD2 HD2  sing N N 331 
PHE   CE1 CZ   doub Y N 332 
PHE   CE1 HE1  sing N N 333 
PHE   CE2 CZ   sing Y N 334 
PHE   CE2 HE2  sing N N 335 
PHE   CZ  HZ   sing N N 336 
PHE   OXT HXT  sing N N 337 
PRO   N   CA   sing N N 338 
PRO   N   CD   sing N N 339 
PRO   N   H    sing N N 340 
PRO   CA  C    sing N N 341 
PRO   CA  CB   sing N N 342 
PRO   CA  HA   sing N N 343 
PRO   C   O    doub N N 344 
PRO   C   OXT  sing N N 345 
PRO   CB  CG   sing N N 346 
PRO   CB  HB2  sing N N 347 
PRO   CB  HB3  sing N N 348 
PRO   CG  CD   sing N N 349 
PRO   CG  HG2  sing N N 350 
PRO   CG  HG3  sing N N 351 
PRO   CD  HD2  sing N N 352 
PRO   CD  HD3  sing N N 353 
PRO   OXT HXT  sing N N 354 
SER   N   CA   sing N N 355 
SER   N   H    sing N N 356 
SER   N   H2   sing N N 357 
SER   CA  C    sing N N 358 
SER   CA  CB   sing N N 359 
SER   CA  HA   sing N N 360 
SER   C   O    doub N N 361 
SER   C   OXT  sing N N 362 
SER   CB  OG   sing N N 363 
SER   CB  HB2  sing N N 364 
SER   CB  HB3  sing N N 365 
SER   OG  HG   sing N N 366 
SER   OXT HXT  sing N N 367 
THR   N   CA   sing N N 368 
THR   N   H    sing N N 369 
THR   N   H2   sing N N 370 
THR   CA  C    sing N N 371 
THR   CA  CB   sing N N 372 
THR   CA  HA   sing N N 373 
THR   C   O    doub N N 374 
THR   C   OXT  sing N N 375 
THR   CB  OG1  sing N N 376 
THR   CB  CG2  sing N N 377 
THR   CB  HB   sing N N 378 
THR   OG1 HG1  sing N N 379 
THR   CG2 HG21 sing N N 380 
THR   CG2 HG22 sing N N 381 
THR   CG2 HG23 sing N N 382 
THR   OXT HXT  sing N N 383 
TRP   N   CA   sing N N 384 
TRP   N   H    sing N N 385 
TRP   N   H2   sing N N 386 
TRP   CA  C    sing N N 387 
TRP   CA  CB   sing N N 388 
TRP   CA  HA   sing N N 389 
TRP   C   O    doub N N 390 
TRP   C   OXT  sing N N 391 
TRP   CB  CG   sing N N 392 
TRP   CB  HB2  sing N N 393 
TRP   CB  HB3  sing N N 394 
TRP   CG  CD1  doub Y N 395 
TRP   CG  CD2  sing Y N 396 
TRP   CD1 NE1  sing Y N 397 
TRP   CD1 HD1  sing N N 398 
TRP   CD2 CE2  doub Y N 399 
TRP   CD2 CE3  sing Y N 400 
TRP   NE1 CE2  sing Y N 401 
TRP   NE1 HE1  sing N N 402 
TRP   CE2 CZ2  sing Y N 403 
TRP   CE3 CZ3  doub Y N 404 
TRP   CE3 HE3  sing N N 405 
TRP   CZ2 CH2  doub Y N 406 
TRP   CZ2 HZ2  sing N N 407 
TRP   CZ3 CH2  sing Y N 408 
TRP   CZ3 HZ3  sing N N 409 
TRP   CH2 HH2  sing N N 410 
TRP   OXT HXT  sing N N 411 
TYR   N   CA   sing N N 412 
TYR   N   H    sing N N 413 
TYR   N   H2   sing N N 414 
TYR   CA  C    sing N N 415 
TYR   CA  CB   sing N N 416 
TYR   CA  HA   sing N N 417 
TYR   C   O    doub N N 418 
TYR   C   OXT  sing N N 419 
TYR   CB  CG   sing N N 420 
TYR   CB  HB2  sing N N 421 
TYR   CB  HB3  sing N N 422 
TYR   CG  CD1  doub Y N 423 
TYR   CG  CD2  sing Y N 424 
TYR   CD1 CE1  sing Y N 425 
TYR   CD1 HD1  sing N N 426 
TYR   CD2 CE2  doub Y N 427 
TYR   CD2 HD2  sing N N 428 
TYR   CE1 CZ   doub Y N 429 
TYR   CE1 HE1  sing N N 430 
TYR   CE2 CZ   sing Y N 431 
TYR   CE2 HE2  sing N N 432 
TYR   CZ  OH   sing N N 433 
TYR   OH  HH   sing N N 434 
TYR   OXT HXT  sing N N 435 
VAL   N   CA   sing N N 436 
VAL   N   H    sing N N 437 
VAL   N   H2   sing N N 438 
VAL   CA  C    sing N N 439 
VAL   CA  CB   sing N N 440 
VAL   CA  HA   sing N N 441 
VAL   C   O    doub N N 442 
VAL   C   OXT  sing N N 443 
VAL   CB  CG1  sing N N 444 
VAL   CB  CG2  sing N N 445 
VAL   CB  HB   sing N N 446 
VAL   CG1 HG11 sing N N 447 
VAL   CG1 HG12 sing N N 448 
VAL   CG1 HG13 sing N N 449 
VAL   CG2 HG21 sing N N 450 
VAL   CG2 HG22 sing N N 451 
VAL   CG2 HG23 sing N N 452 
VAL   OXT HXT  sing N N 453 
# 
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                    9GQ4 
_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]   0.020548 
_atom_sites.fract_transf_matrix[1][2]   0.011863 
_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]   0.023727 
_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]   0.005189 
_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    . THR   A 1 5   ? -0.889  3.188   43.844  1   57.237  ? 17  THR   A N    1 ? 1 
ATOM   2    C CA   . THR   A 1 5   ? -2.016  3.709   43.028  1   50.947  ? 17  THR   A CA   1 ? 1 
ATOM   3    C C    . THR   A 1 5   ? -2.558  2.592   42.123  1   51.509  ? 17  THR   A C    1 ? 1 
ATOM   4    O O    . THR   A 1 5   ? -1.864  1.608   41.836  1   56.168  ? 17  THR   A O    1 ? 1 
ATOM   5    C CB   . THR   A 1 5   ? -1.643  4.932   42.168  1   55.626  ? 17  THR   A CB   1 ? 1 
ATOM   6    O OG1  . THR   A 1 5   ? -0.899  4.485   41.036  1   56.072  ? 17  THR   A OG1  1 ? 1 
ATOM   7    C CG2  . THR   A 1 5   ? -0.862  6.01    42.898  1   53.642  ? 17  THR   A CG2  1 ? 1 
ATOM   8    H H    . THR   A 1 5   ? -0.634  3.812   44.443  1   56.841  ? 17  THR   A H    1 c 1 
ATOM   9    H HA   . THR   A 1 5   ? -2.73   3.978   43.645  1   53.035  ? 17  THR   A HA   1 c 1 
ATOM   10   H HB   . THR   A 1 5   ? -2.481  5.345   41.848  1   52.285  ? 17  THR   A HB   1 c 1 
ATOM   11   H HG1  . THR   A 1 5   ? -0.218  4.15    41.289  0   30      ? 17  THR   A HG1  1 c 1 
ATOM   12   H HG21 . THR   A 1 5   ? -0.756  6.783   42.318  1   53.191  ? 17  THR   A HG21 1 c 1 
ATOM   13   H HG22 . THR   A 1 5   ? 0.013   5.668   43.144  1   56.106  ? 17  THR   A HG22 1 c 1 
ATOM   14   H HG23 . THR   A 1 5   ? -1.344  6.273   43.7    1   55.06   ? 17  THR   A HG23 1 c 1 
ATOM   15   N N    . VAL   A 1 6   ? -3.826  2.778   41.698  1   46.754  ? 18  VAL   A N    1 ? 1 
ATOM   16   C CA   . VAL   A 1 6   ? -4.534  1.877   40.782  1   45.653  ? 18  VAL   A CA   1 ? 1 
ATOM   17   C C    . VAL   A 1 6   ? -4.783  2.59    39.453  1   42.869  ? 18  VAL   A C    1 ? 1 
ATOM   18   O O    . VAL   A 1 6   ? -4.896  3.807   39.402  1   42.551  ? 18  VAL   A O    1 ? 1 
ATOM   19   C CB   . VAL   A 1 6   ? -5.883  1.372   41.364  1   46.996  ? 18  VAL   A CB   1 ? 1 
ATOM   20   C CG1  . VAL   A 1 6   ? -5.699  0.573   42.651  1   47.527  ? 18  VAL   A CG1  1 ? 1 
ATOM   21   C CG2  . VAL   A 1 6   ? -6.911  2.491   41.588  1   46.644  ? 18  VAL   A CG2  1 ? 1 
ATOM   22   H H    . VAL   A 1 6   ? -4.271  3.518   41.995  1   46.741  ? 18  VAL   A H    1 c 1 
ATOM   23   H HA   . VAL   A 1 6   ? -3.965  1.101   40.613  1   46.961  ? 18  VAL   A HA   1 c 1 
ATOM   24   H HB   . VAL   A 1 6   ? -6.267  0.757   40.697  1   46.183  ? 18  VAL   A HB   1 c 1 
ATOM   25   H HG11 . VAL   A 1 6   ? -5.286  1.136   43.326  1   48.863  ? 18  VAL   A HG11 1 c 1 
ATOM   26   H HG12 . VAL   A 1 6   ? -5.129  -0.195  42.478  1   49.342  ? 18  VAL   A HG12 1 c 1 
ATOM   27   H HG13 . VAL   A 1 6   ? -6.564  0.267   42.97   1   48.823  ? 18  VAL   A HG13 1 c 1 
ATOM   28   H HG21 . VAL   A 1 6   ? -7.704  2.122   42.013  1   47.112  ? 18  VAL   A HG21 1 c 1 
ATOM   29   H HG22 . VAL   A 1 6   ? -7.157  2.884   40.734  1   44.554  ? 18  VAL   A HG22 1 c 1 
ATOM   30   H HG23 . VAL   A 1 6   ? -6.527  3.175   42.161  1   46.59   ? 18  VAL   A HG23 1 c 1 
ATOM   31   N N    . THR   A 1 7   ? -4.925  1.804   38.362  1   42.724  ? 19  THR   A N    1 ? 1 
ATOM   32   C CA   . THR   A 1 7   ? -5.179  2.372   37.041  1   45.544  ? 19  THR   A CA   1 ? 1 
ATOM   33   C C    . THR   A 1 7   ? -6.504  3.134   37.06   1   41.163  ? 19  THR   A C    1 ? 1 
ATOM   34   O O    . THR   A 1 7   ? -6.57   4.282   36.629  1   41.275  ? 19  THR   A O    1 ? 1 
ATOM   35   C CB   . THR   A 1 7   ? -5.218  1.275   35.968  1   46.974  ? 19  THR   A CB   1 ? 1 
ATOM   36   O OG1  . THR   A 1 7   ? -3.976  0.573   35.989  1   50.327  ? 19  THR   A OG1  1 ? 1 
ATOM   37   C CG2  . THR   A 1 7   ? -5.509  1.804   34.572  1   47.404  ? 19  THR   A CG2  1 ? 1 
ATOM   38   H H    . THR   A 1 7   ? -4.862  0.896   38.449  1   44.916  ? 19  THR   A H    1 c 1 
ATOM   39   H HA   . THR   A 1 7   ? -4.454  2.998   36.826  1   43.765  ? 19  THR   A HA   1 c 1 
ATOM   40   H HB   . THR   A 1 7   ? -5.939  0.642   36.201  1   48.074  ? 19  THR   A HB   1 c 1 
ATOM   41   H HG1  . THR   A 1 7   ? -3.32   1.133   35.86   0   30      ? 19  THR   A HG1  1 c 1 
ATOM   42   H HG21 . THR   A 1 7   ? -5.424  1.082   33.928  1   46.988  ? 19  THR   A HG21 1 c 1 
ATOM   43   H HG22 . THR   A 1 7   ? -4.875  2.508   34.353  1   46.125  ? 19  THR   A HG22 1 c 1 
ATOM   44   H HG23 . THR   A 1 7   ? -6.412  2.161   34.539  1   45.732  ? 19  THR   A HG23 1 c 1 
ATOM   45   N N    . GLU   A 1 8   ? -7.571  2.494   37.558  1   38.654  ? 20  GLU   A N    1 ? 1 
ATOM   46   C CA   . GLU   A 1 8   ? -8.904  3.077   37.45   1   39.458  ? 20  GLU   A CA   1 ? 1 
ATOM   47   C C    . GLU   A 1 8   ? -9.199  3.995   38.651  1   36.19   ? 20  GLU   A C    1 ? 1 
ATOM   48   O O    . GLU   A 1 8   ? -10.197 3.815   39.384  1   37.115  ? 20  GLU   A O    1 ? 1 
ATOM   49   C CB   . GLU   A 1 8   ? -9.989  1.998   37.357  1   36.702  ? 20  GLU   A CB   1 ? 1 
ATOM   50   C CG   . GLU   A 1 8   ? -9.721  0.994   36.245  1   38.354  ? 20  GLU   A CG   1 ? 1 
ATOM   51   C CD   . GLU   A 1 8   ? -9.722  1.676   34.888  1   40.489  ? 20  GLU   A CD   1 ? 1 
ATOM   52   O OE1  . GLU   A 1 8   ? -10.561 2.583   34.617  1   40.564  ? 20  GLU   A OE1  1 ? 1 
ATOM   53   O OE2  . GLU   A 1 8   ? -8.857  1.263   34.053  1   41.417  ? 20  GLU   A OE2  1 ? 1 
ATOM   54   H H    . GLU   A 1 8   ? -7.471  1.685   37.97   1   41.24   ? 20  GLU   A H    1 c 1 
ATOM   55   H HA   . GLU   A 1 8   ? -8.939  3.625   36.625  1   36.347  ? 20  GLU   A HA   1 c 1 
ATOM   56   H HB2  . GLU   A 1 8   ? -10.049 1.527   38.215  1   39.402  ? 20  GLU   A HB2  1 c 1 
ATOM   57   H HB3  . GLU   A 1 8   ? -10.849 2.431   37.189  1   37.303  ? 20  GLU   A HB3  1 c 1 
ATOM   58   H HG2  . GLU   A 1 8   ? -8.851  0.566   36.39   1   39.731  ? 20  GLU   A HG2  1 c 1 
ATOM   59   H HG3  . GLU   A 1 8   ? -10.414 0.3     36.255  1   39.724  ? 20  GLU   A HG3  1 c 1 
ATOM   60   N N    . GLN   A 1 9   ? -8.341  5.005   38.84   1   36.928  ? 21  GLN   A N    1 ? 1 
ATOM   61   C CA   . GLN   A 1 9   ? -8.539  6.02    39.878  1   40.428  ? 21  GLN   A CA   1 ? 1 
ATOM   62   C C    . GLN   A 1 9   ? -9.099  7.313   39.26   1   37.644  ? 21  GLN   A C    1 ? 1 
ATOM   63   O O    . GLN   A 1 9   ? -8.932  7.571   38.062  1   36.112  ? 21  GLN   A O    1 ? 1 
ATOM   64   C CB   . GLN   A 1 9   ? -7.174  6.429   40.447  1   44.476  ? 21  GLN   A CB   1 ? 1 
ATOM   65   C CG   . GLN   A 1 9   ? -6.161  6.794   39.353  1   41.523  ? 21  GLN   A CG   1 ? 1 
ATOM   66   C CD   . GLN   A 1 9   ? -4.903  7.405   39.92   1   50.004  ? 21  GLN   A CD   1 ? 1 
ATOM   67   O OE1  . GLN   A 1 9   ? -4.649  7.374   41.141  1   47.942  ? 21  GLN   A OE1  1 ? 1 
ATOM   68   N NE2  . GLN   A 1 9   ? -4.088  7.913   39.005  1   52.722  ? 21  GLN   A NE2  1 ? 1 
ATOM   69   H H    . GLN   A 1 9   ? -7.621  5.081   38.284  1   36.907  ? 21  GLN   A H    1 c 1 
ATOM   70   H HA   . GLN   A 1 9   ? -9.144  5.676   40.582  1   41.212  ? 21  GLN   A HA   1 c 1 
ATOM   71   H HB2  . GLN   A 1 9   ? -7.294  7.198   41.044  1   43.52   ? 21  GLN   A HB2  1 c 1 
ATOM   72   H HB3  . GLN   A 1 9   ? -6.817  5.689   40.98   1   44.715  ? 21  GLN   A HB3  1 c 1 
ATOM   73   H HG2  . GLN   A 1 9   ? -5.918  5.991   38.849  1   43.451  ? 21  GLN   A HG2  1 c 1 
ATOM   74   H HG3  . GLN   A 1 9   ? -6.565  7.429   38.726  1   42.18   ? 21  GLN   A HG3  1 c 1 
ATOM   75   H HE21 . GLN   A 1 9   ? -3.335  8.308   39.256  1   52.235  ? 21  GLN   A HE21 1 c 1 
ATOM   76   H HE22 . GLN   A 1 9   ? -4.295  7.858   38.144  1   50.366  ? 21  GLN   A HE22 1 c 1 
ATOM   77   N N    . GLY   A 1 10  ? -9.651  8.156   40.123  1   32.514  ? 22  GLY   A N    1 ? 1 
ATOM   78   C CA   . GLY   A 1 10  ? -10.259 9.398   39.718  1   28.205  ? 22  GLY   A CA   1 ? 1 
ATOM   79   C C    . GLY   A 1 10  ? -11.751 9.311   39.926  1   29.6    ? 22  GLY   A C    1 ? 1 
ATOM   80   O O    . GLY   A 1 10  ? -12.313 8.227   40.185  1   33.512  ? 22  GLY   A O    1 ? 1 
ATOM   81   H H    . GLY   A 1 10  ? -9.646  7.944   41.012  1   34.289  ? 22  GLY   A H    1 c 1 
ATOM   82   H HA2  . GLY   A 1 10  ? -9.887  10.136  40.256  1   29.598  ? 22  GLY   A HA2  1 c 1 
ATOM   83   H HA3  . GLY   A 1 10  ? -10.062 9.575   38.769  1   28.055  ? 22  GLY   A HA3  1 c 1 
ATOM   84   N N    . GLU   A 1 11  ? -12.363 10.489  39.884  1   30.668  ? 23  GLU   A N    1 ? 1 
ATOM   85   C CA   . GLU   A 1 11  ? -13.775 10.659  40.052  1   29.847  ? 23  GLU   A CA   1 ? 1 
ATOM   86   C C    . GLU   A 1 11  ? -14.439 10.238  38.753  1   29.676  ? 23  GLU   A C    1 ? 1 
ATOM   87   O O    . GLU   A 1 11  ? -14.098 10.741  37.689  1   27.537  ? 23  GLU   A O    1 ? 1 
ATOM   88   C CB   . GLU   A 1 11  ? -14.059 12.12   40.406  1   30.661  ? 23  GLU   A CB   1 ? 1 
ATOM   89   C CG   . GLU   A 1 11  ? -15.514 12.354  40.789  1   36.38   ? 23  GLU   A CG   1 ? 1 
ATOM   90   C CD   . GLU   A 1 11  ? -15.794 13.84   40.995  1   41.782  ? 23  GLU   A CD   1 ? 1 
ATOM   91   O OE1  . GLU   A 1 11  ? -14.858 14.655  41.053  1   48.945  ? 23  GLU   A OE1  1 ? 1 
ATOM   92   O OE2  . GLU   A 1 11  ? -16.971 14.187  40.954  1   51.15   ? 23  GLU   A OE2  1 ? 1 
ATOM   93   H H    . GLU   A 1 11  ? -11.855 11.235  39.737  1   29.52   ? 23  GLU   A H    1 c 1 
ATOM   94   H HA   . GLU   A 1 11  ? -14.083 10.071  40.788  1   31.695  ? 23  GLU   A HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 11  ? -13.48  12.384  41.149  1   32.274  ? 23  GLU   A HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 11  ? -13.833 12.681  39.635  1   30.472  ? 23  GLU   A HB3  1 c 1 
ATOM   97   H HG2  . GLU   A 1 11  ? -16.1   12.014  40.08   1   35.873  ? 23  GLU   A HG2  1 c 1 
ATOM   98   H HG3  . GLU   A 1 11  ? -15.717 11.872  41.619  1   37.609  ? 23  GLU   A HG3  1 c 1 
ATOM   99   N N    . ASP   A 1 12  ? -15.45  9.375   38.861  1   33.346  ? 24  ASP   A N    1 ? 1 
ATOM   100  C CA   . ASP   A 1 12  ? -16.23  9.083   37.694  1   32.059  ? 24  ASP   A CA   1 ? 1 
ATOM   101  C C    . ASP   A 1 12  ? -17.12  10.278  37.39   1   33.81   ? 24  ASP   A C    1 ? 1 
ATOM   102  O O    . ASP   A 1 12  ? -18.012 10.594  38.188  1   33.621  ? 24  ASP   A O    1 ? 1 
ATOM   103  C CB   . ASP   A 1 12  ? -17.039 7.84    37.97   1   35.262  ? 24  ASP   A CB   1 ? 1 
ATOM   104  C CG   . ASP   A 1 12  ? -17.9   7.402   36.805  1   33.36   ? 24  ASP   A CG   1 ? 1 
ATOM   105  O OD1  . ASP   A 1 12  ? -17.876 8.096   35.782  1   30.802  ? 24  ASP   A OD1  1 ? 1 
ATOM   106  O OD2  . ASP   A 1 12  ? -18.591 6.355   37.019  1   34.288  ? 24  ASP   A OD2  1 ? 1 
ATOM   107  H H    . ASP   A 1 12  ? -15.649 8.973   39.658  1   33.767  ? 24  ASP   A H    1 c 1 
ATOM   108  H HA   . ASP   A 1 12  ? -15.625 8.918   36.936  1   31.674  ? 24  ASP   A HA   1 c 1 
ATOM   109  H HB2  . ASP   A 1 12  ? -16.428 7.108   38.195  1   34.719  ? 24  ASP   A HB2  1 c 1 
ATOM   110  H HB3  . ASP   A 1 12  ? -17.621 8       38.742  1   35.735  ? 24  ASP   A HB3  1 c 1 
ATOM   111  N N    . ILE   A 1 13  ? -16.864 10.954  36.265  1   30.337  ? 25  ILE   A N    1 ? 1 
ATOM   112  C CA   . ILE   A 1 13  ? -17.643 12.148  35.932  1   30.996  ? 25  ILE   A CA   1 ? 1 
ATOM   113  C C    . ILE   A 1 13  ? -18.636 11.879  34.811  1   30.478  ? 25  ILE   A C    1 ? 1 
ATOM   114  O O    . ILE   A 1 13  ? -19.216 12.805  34.257  1   34.503  ? 25  ILE   A O    1 ? 1 
ATOM   115  C CB   . ILE   A 1 13  ? -16.72  13.336  35.601  1   27.109  ? 25  ILE   A CB   1 ? 1 
ATOM   116  C CG1  . ILE   A 1 13  ? -15.776 13.012  34.396  1   27.663  ? 25  ILE   A CG1  1 ? 1 
ATOM   117  C CG2  . ILE   A 1 13  ? -15.917 13.691  36.813  1   30.385  ? 25  ILE   A CG2  1 ? 1 
ATOM   118  C CD1  . ILE   A 1 13  ? -15.137 14.267  33.85   1   27.001  ? 25  ILE   A CD1  1 ? 1 
ATOM   119  H H    . ILE   A 1 13  ? -16.209 10.671  35.695  1   30.018  ? 25  ILE   A H    1 c 1 
ATOM   120  H HA   . ILE   A 1 13  ? -18.158 12.395  36.724  1   31.384  ? 25  ILE   A HA   1 c 1 
ATOM   121  H HB   . ILE   A 1 13  ? -17.276 14.104  35.36   1   28.82   ? 25  ILE   A HB   1 c 1 
ATOM   122  H HG12 . ILE   A 1 13  ? -15.075 12.395  34.692  1   26.991  ? 25  ILE   A HG12 1 c 1 
ATOM   123  H HG13 . ILE   A 1 13  ? -16.29  12.576  33.687  1   26.992  ? 25  ILE   A HG13 1 c 1 
ATOM   124  H HG21 . ILE   A 1 13  ? -15.411 14.504  36.644  1   29.195  ? 25  ILE   A HG21 1 c 1 
ATOM   125  H HG22 . ILE   A 1 13  ? -15.303 12.968  37.021  1   29.33   ? 25  ILE   A HG22 1 c 1 
ATOM   126  H HG23 . ILE   A 1 13  ? -16.513 13.835  37.568  1   30.64   ? 25  ILE   A HG23 1 c 1 
ATOM   127  H HD11 . ILE   A 1 13  ? -15.831 14.921  33.644  1   27.481  ? 25  ILE   A HD11 1 c 1 
ATOM   128  H HD12 . ILE   A 1 13  ? -14.643 14.053  33.036  1   26.305  ? 25  ILE   A HD12 1 c 1 
ATOM   129  H HD13 . ILE   A 1 13  ? -14.525 14.642  34.511  1   27.27   ? 25  ILE   A HD13 1 c 1 
ATOM   130  N N    . THR   A 1 14  ? -18.867 10.614  34.463  1   32.246  ? 26  THR   A N    1 ? 1 
ATOM   131  C CA   . THR   A 1 14  ? -19.889 10.274  33.468  1   33.484  ? 26  THR   A CA   1 ? 1 
ATOM   132  C C    . THR   A 1 14  ? -21.292 10.366  34.082  1   34.414  ? 26  THR   A C    1 ? 1 
ATOM   133  O O    . THR   A 1 14  ? -21.45  10.135  35.269  1   32.989  ? 26  THR   A O    1 ? 1 
ATOM   134  C CB   . THR   A 1 14  ? -19.653 8.869   32.896  1   34.502  ? 26  THR   A CB   1 ? 1 
ATOM   135  O OG1  . THR   A 1 14  ? -19.825 7.891   33.913  1   36.014  ? 26  THR   A OG1  1 ? 1 
ATOM   136  C CG2  . THR   A 1 14  ? -18.255 8.682   32.301  1   31.354  ? 26  THR   A CG2  1 ? 1 
ATOM   137  H H    . THR   A 1 14  ? -18.389 9.94    34.853  1   32.068  ? 26  THR   A H    1 c 1 
ATOM   138  H HA   . THR   A 1 14  ? -19.827 10.92   32.731  1   32.714  ? 26  THR   A HA   1 c 1 
ATOM   139  H HB   . THR   A 1 14  ? -20.315 8.704   32.182  1   34.418  ? 26  THR   A HB   1 c 1 
ATOM   140  H HG1  . THR   A 1 14  ? -19.279 7.997   34.53   0   30      ? 26  THR   A HG1  1 c 1 
ATOM   141  H HG21 . THR   A 1 14  ? -18.168 7.777   31.956  1   31.882  ? 26  THR   A HG21 1 c 1 
ATOM   142  H HG22 . THR   A 1 14  ? -17.586 8.831   32.989  1   31.565  ? 26  THR   A HG22 1 c 1 
ATOM   143  H HG23 . THR   A 1 14  ? -18.123 9.317   31.577  1   31.078  ? 26  THR   A HG23 1 c 1 
ATOM   144  N N    . SER   A 1 15  ? -22.312 10.61   33.249  1   42.419  ? 27  SER   A N    1 ? 1 
ATOM   145  C CA   . SER   A 1 15  ? -23.701 10.638  33.708  1   49.033  ? 27  SER   A CA   1 ? 1 
ATOM   146  C C    . SER   A 1 15  ? -24.222 9.241   34.031  1   45.732  ? 27  SER   A C    1 ? 1 
ATOM   147  O O    . SER   A 1 15  ? -24.982 9.042   34.985  1   40.717  ? 27  SER   A O    1 ? 1 
ATOM   148  C CB   . SER   A 1 15  ? -24.558 11.338  32.69   1   53.205  ? 27  SER   A CB   1 ? 1 
ATOM   149  O OG   . SER   A 1 15  ? -24.358 12.746  32.857  1   54.611  ? 27  SER   A OG   1 ? 1 
ATOM   150  H H    . SER   A 1 15  ? -22.138 10.761  32.365  1   40.574  ? 27  SER   A H    1 c 1 
ATOM   151  H HA   . SER   A 1 15  ? -23.73  11.169  34.544  1   48.31   ? 27  SER   A HA   1 c 1 
ATOM   152  H HB2  . SER   A 1 15  ? -24.299 11.066  31.79   1   51.785  ? 27  SER   A HB2  1 c 1 
ATOM   153  H HB3  . SER   A 1 15  ? -25.497 11.115  32.835  1   54.326  ? 27  SER   A HB3  1 c 1 
ATOM   154  H HG   . SER   A 1 15  ? -24.78  13.181  32.244  0   30      ? 27  SER   A HG   1 c 1 
ATOM   155  N N    . LYS   A 1 16  ? -23.78  8.279   33.232  1   40.551  ? 28  LYS   A N    1 ? 1 
ATOM   156  C CA   . LYS   A 1 16  ? -24.177 6.886   33.381  1   42.06   ? 28  LYS   A CA   1 ? 1 
ATOM   157  C C    . LYS   A 1 16  ? -23.449 6.214   34.541  1   39.355  ? 28  LYS   A C    1 ? 1 
ATOM   158  O O    . LYS   A 1 16  ? -23.858 5.13    34.957  1   40.114  ? 28  LYS   A O    1 ? 1 
ATOM   159  C CB   . LYS   A 1 16  ? -23.837 6.082   32.107  1   42.633  ? 28  LYS   A CB   1 ? 1 
ATOM   160  C CG   . LYS   A 1 16  ? -24.662 6.334   30.862  1   49.561  ? 28  LYS   A CG   1 ? 1 
ATOM   161  C CD   . LYS   A 1 16  ? -24.159 5.468   29.713  1   59.021  ? 28  LYS   A CD   1 ? 1 
ATOM   162  C CE   . LYS   A 1 16  ? -24.611 5.837   28.33   1   67.586  ? 28  LYS   A CE   1 ? 1 
ATOM   163  N NZ   . LYS   A 1 16  ? -26.043 5.57    28.184  1   67.229  ? 28  LYS   A NZ   1 ? 1 
ATOM   164  H H    . LYS   A 1 16  ? -23.207 8.496   32.554  1   40.25   ? 28  LYS   A H    1 c 1 
ATOM   165  H HA   . LYS   A 1 16  ? -25.154 6.849   33.545  1   43.449  ? 28  LYS   A HA   1 c 1 
ATOM   166  H HB2  . LYS   A 1 16  ? -22.897 6.257   31.885  1   42.119  ? 28  LYS   A HB2  1 c 1 
ATOM   167  H HB3  . LYS   A 1 16  ? -23.908 5.128   32.323  1   44.529  ? 28  LYS   A HB3  1 c 1 
ATOM   168  H HG2  . LYS   A 1 16  ? -25.602 6.119   31.049  1   51.715  ? 28  LYS   A HG2  1 c 1 
ATOM   169  H HG3  . LYS   A 1 16  ? -24.599 7.281   30.616  1   49.205  ? 28  LYS   A HG3  1 c 1 
ATOM   170  H HD2  . LYS   A 1 16  ? -23.177 5.479   29.73   1   56.513  ? 28  LYS   A HD2  1 c 1 
ATOM   171  H HD3  . LYS   A 1 16  ? -24.436 4.545   29.893  1   59.425  ? 28  LYS   A HD3  1 c 1 
ATOM   172  H HE2  . LYS   A 1 16  ? -24.449 6.785   28.178  1   64.013  ? 28  LYS   A HE2  1 c 1 
ATOM   173  H HE3  . LYS   A 1 16  ? -24.117 5.333   27.661  1   64.306  ? 28  LYS   A HE3  1 c 1 
ATOM   174  H HZ1  . LYS   A 1 16  ? -26.512 6.079   28.768  1   68.645  ? 28  LYS   A HZ1  1 c 1 
ATOM   175  H HZ2  . LYS   A 1 16  ? -26.212 4.696   28.348  1   68.927  ? 28  LYS   A HZ2  1 c 1 
ATOM   176  H HZ3  . LYS   A 1 16  ? -26.306 5.77    27.341  1   68.192  ? 28  LYS   A HZ3  1 c 1 
ATOM   177  N N    . LYS   A 1 17  ? -22.358 6.827   35.041  1   36.254  ? 29  LYS   A N    1 ? 1 
ATOM   178  C CA   . LYS   A 1 17  ? -21.575 6.257   36.128  1   34.809  ? 29  LYS   A CA   1 ? 1 
ATOM   179  C C    . LYS   A 1 17  ? -21.029 4.881   35.767  1   34.651  ? 29  LYS   A C    1 ? 1 
ATOM   180  O O    . LYS   A 1 17  ? -21.18  3.941   36.539  1   37.584  ? 29  LYS   A O    1 ? 1 
ATOM   181  C CB   . LYS   A 1 17  ? -22.353 6.147   37.454  1   39.419  ? 29  LYS   A CB   1 ? 1 
ATOM   182  C CG   . LYS   A 1 17  ? -22.787 7.467   37.996  1   37.741  ? 29  LYS   A CG   1 ? 1 
ATOM   183  C CD   . LYS   A 1 17  ? -21.669 8.481   38.167  1   37.972  ? 29  LYS   A CD   1 ? 1 
ATOM   184  H H    . LYS   A 1 17  ? -22.086 7.621   34.681  1   35.18   ? 29  LYS   A H    1 c 1 
ATOM   185  H HA   . LYS   A 1 17  ? -20.803 6.854   36.278  1   34.317  ? 29  LYS   A HA   1 c 1 
ATOM   186  H HB2  . LYS   A 1 17  ? -23.147 5.587   37.32   1   39.852  ? 29  LYS   A HB2  1 c 1 
ATOM   187  H HB3  . LYS   A 1 17  ? -21.785 5.709   38.124  1   38.792  ? 29  LYS   A HB3  1 c 1 
ATOM   188  H HG2  . LYS   A 1 17  ? -23.465 7.841   37.392  1   38.752  ? 29  LYS   A HG2  1 c 1 
ATOM   189  H HG3  . LYS   A 1 17  ? -23.215 7.318   38.867  1   40.416  ? 29  LYS   A HG3  1 c 1 
ATOM   190  H HD2  . LYS   A 1 17  ? -20.765 7.922   38.083  0   30      ? 29  LYS   A HD2  1 c 1 
ATOM   191  H HD3  . LYS   A 1 17  ? -21.932 9.338   38.363  0   30      ? 29  LYS   A HD3  1 c 1 
ATOM   192  N N    . ASP   A 1 18  ? -20.347 4.798   34.634  1   34.373  ? 30  ASP   A N    1 ? 1 
ATOM   193  C CA   . ASP   A 1 18  ? -19.798 3.536   34.133  1   35.349  ? 30  ASP   A CA   1 ? 1 
ATOM   194  C C    . ASP   A 1 18  ? -18.279 3.546   34.216  1   36.16   ? 30  ASP   A C    1 ? 1 
ATOM   195  O O    . ASP   A 1 18  ? -17.619 2.716   33.604  1   34.558  ? 30  ASP   A O    1 ? 1 
ATOM   196  C CB   . ASP   A 1 18  ? -20.281 3.313   32.72   1   36.469  ? 30  ASP   A CB   1 ? 1 
ATOM   197  C CG   . ASP   A 1 18  ? -19.923 4.409   31.738  1   33.674  ? 30  ASP   A CG   1 ? 1 
ATOM   198  O OD1  . ASP   A 1 18  ? -19.003 5.191   32.034  1   32.024  ? 30  ASP   A OD1  1 ? 1 
ATOM   199  O OD2  . ASP   A 1 18  ? -20.597 4.49    30.692  1   33.373  ? 30  ASP   A OD2  1 ? 1 
ATOM   200  H H    . ASP   A 1 18  ? -20.21  5.559   34.146  1   33.07   ? 30  ASP   A H    1 c 1 
ATOM   201  H HA   . ASP   A 1 18  ? -20.139 2.801   34.689  1   37.374  ? 30  ASP   A HA   1 c 1 
ATOM   202  H HB2  . ASP   A 1 18  ? -19.912 2.469   32.386  1   36.13   ? 30  ASP   A HB2  1 c 1 
ATOM   203  H HB3  . ASP   A 1 18  ? -21.257 3.228   32.736  1   37.165  ? 30  ASP   A HB3  1 c 1 
ATOM   204  N N    . ARG   A 1 19  ? -17.726 4.562   34.926  1   32.75   ? 31  ARG   A N    1 ? 1 
ATOM   205  C CA   . ARG   A 1 19  ? -16.287 4.76    35.123  1   29.805  ? 31  ARG   A CA   1 ? 1 
ATOM   206  C C    . ARG   A 1 19  ? -15.558 4.865   33.79   1   26.935  ? 31  ARG   A C    1 ? 1 
ATOM   207  O O    . ARG   A 1 19  ? -14.358 4.641   33.754  1   28.574  ? 31  ARG   A O    1 ? 1 
ATOM   208  C CB   . ARG   A 1 19  ? -15.669 3.734   36.077  1   34.393  ? 31  ARG   A CB   1 ? 1 
ATOM   209  C CG   . ARG   A 1 19  ? -16.49  3.861   37.342  1   37.876  ? 31  ARG   A CG   1 ? 1 
ATOM   210  C CD   . ARG   A 1 19  ? -16.329 2.788   38.32   1   42.78   ? 31  ARG   A CD   1 ? 1 
ATOM   211  N NE   . ARG   A 1 19  ? -14.931 2.405   38.483  1   41.035  ? 31  ARG   A NE   1 ? 1 
ATOM   212  C CZ   . ARG   A 1 19  ? -13.91  3.119   38.907  1   43.6    ? 31  ARG   A CZ   1 ? 1 
ATOM   213  N NH1  . ARG   A 1 19  ? -14.058 4.25    39.581  1   46.071  ? 31  ARG   A NH1  1 ? 1 
ATOM   214  N NH2  . ARG   A 1 19  ? -12.72  2.587   38.781  1   42.462  ? 31  ARG   A NH2  1 ? 1 
ATOM   215  H H    . ARG   A 1 19  ? -18.289 5.168   35.314  1   33.242  ? 31  ARG   A H    1 c 1 
ATOM   216  H HA   . ARG   A 1 19  ? -16.178 5.635   35.572  1   30.19   ? 31  ARG   A HA   1 c 1 
ATOM   217  H HB2  . ARG   A 1 19  ? -15.741 2.826   35.712  1   34.593  ? 31  ARG   A HB2  1 c 1 
ATOM   218  H HB3  . ARG   A 1 19  ? -14.728 3.941   36.257  1   33.539  ? 31  ARG   A HB3  1 c 1 
ATOM   219  H HG2  . ARG   A 1 19  ? -16.262 4.712   37.776  1   37.618  ? 31  ARG   A HG2  1 c 1 
ATOM   220  H HG3  . ARG   A 1 19  ? -17.439 3.913   37.101  1   38.394  ? 31  ARG   A HG3  1 c 1 
ATOM   221  H HD2  . ARG   A 1 19  ? -16.687 3.079   39.183  1   42.835  ? 31  ARG   A HD2  1 c 1 
ATOM   222  H HD3  . ARG   A 1 19  ? -16.845 2.01    38.027  1   42.626  ? 31  ARG   A HD3  1 c 1 
ATOM   223  H HE   . ARG   A 1 19  ? -14.744 1.581   38.271  1   42.734  ? 31  ARG   A HE   1 c 1 
ATOM   224  H HH11 . ARG   A 1 19  ? -14.847 4.463   39.919  1   45.825  ? 31  ARG   A HH11 1 c 1 
ATOM   225  H HH12 . ARG   A 1 19  ? -13.366 4.79    39.691  1   44.567  ? 31  ARG   A HH12 1 c 1 
ATOM   226  H HH21 . ARG   A 1 19  ? -12.627 1.786   38.417  1   43.129  ? 31  ARG   A HH21 1 c 1 
ATOM   227  H HH22 . ARG   A 1 19  ? -12.012 3.029   39.07   1   42.496  ? 31  ARG   A HH22 1 c 1 
ATOM   228  N N    . GLY   A 1 20  ? -16.258 5.402   32.773  1   29.039  ? 32  GLY   A N    1 ? 1 
ATOM   229  C CA   . GLY   A 1 20  ? -15.696 5.599   31.453  1   28.136  ? 32  GLY   A CA   1 ? 1 
ATOM   230  C C    . GLY   A 1 20  ? -14.758 6.772   31.334  1   30.931  ? 32  GLY   A C    1 ? 1 
ATOM   231  O O    . GLY   A 1 20  ? -13.969 6.806   30.376  1   28.917  ? 32  GLY   A O    1 ? 1 
ATOM   232  H H    . GLY   A 1 20  ? -17.119 5.671   32.92   1   28.938  ? 32  GLY   A H    1 c 1 
ATOM   233  H HA2  . GLY   A 1 20  ? -15.215 4.779   31.194  1   29.061  ? 32  GLY   A HA2  1 c 1 
ATOM   234  H HA3  . GLY   A 1 20  ? -16.437 5.718   30.815  1   28.966  ? 32  GLY   A HA3  1 c 1 
ATOM   235  N N    . VAL   A 1 21  ? -14.943 7.78    32.21   1   25.518  ? 33  VAL   A N    1 ? 1 
ATOM   236  C CA   . VAL   A 1 21  ? -14.082 8.921   32.232  1   27.034  ? 33  VAL   A CA   1 ? 1 
ATOM   237  C C    . VAL   A 1 21  ? -13.755 9.155   33.711  1   28.141  ? 33  VAL   A C    1 ? 1 
ATOM   238  O O    . VAL   A 1 21  ? -14.697 9.458   34.445  1   26.686  ? 33  VAL   A O    1 ? 1 
ATOM   239  C CB   . VAL   A 1 21  ? -14.755 10.143  31.596  1   25.172  ? 33  VAL   A CB   1 ? 1 
ATOM   240  C CG1  . VAL   A 1 21  ? -13.845 11.369  31.641  1   26.734  ? 33  VAL   A CG1  1 ? 1 
ATOM   241  C CG2  . VAL   A 1 21  ? -15.208 9.923   30.166  1   28.253  ? 33  VAL   A CG2  1 ? 1 
ATOM   242  H H    . VAL   A 1 21  ? -15.634 7.738   32.807  1   28.002  ? 33  VAL   A H    1 c 1 
ATOM   243  H HA   . VAL   A 1 21  ? -13.261 8.717   31.748  1   25.913  ? 33  VAL   A HA   1 c 1 
ATOM   244  H HB   . VAL   A 1 21  ? -15.556 10.346  32.134  1   27.048  ? 33  VAL   A HB   1 c 1 
ATOM   245  H HG11 . VAL   A 1 21  ? -13.001 11.163  31.204  1   25.691  ? 33  VAL   A HG11 1 c 1 
ATOM   246  H HG12 . VAL   A 1 21  ? -13.678 11.619  32.565  1   26.487  ? 33  VAL   A HG12 1 c 1 
ATOM   247  H HG13 . VAL   A 1 21  ? -14.274 12.109  31.18   1   26.067  ? 33  VAL   A HG13 1 c 1 
ATOM   248  H HG21 . VAL   A 1 21  ? -15.599 10.742  29.819  1   27.15   ? 33  VAL   A HG21 1 c 1 
ATOM   249  H HG22 . VAL   A 1 21  ? -15.871 9.213   30.141  1   27.684  ? 33  VAL   A HG22 1 c 1 
ATOM   250  H HG23 . VAL   A 1 21  ? -14.445 9.671   29.619  1   26.728  ? 33  VAL   A HG23 1 c 1 
ATOM   251  N N    . LEU   A 1 22  ? -12.48  8.999   34.093  1   25.488  ? 34  LEU   A N    1 ? 1 
ATOM   252  C CA   . LEU   A 1 22  ? -12.025 9.226   35.438  1   28.064  ? 34  LEU   A CA   1 ? 1 
ATOM   253  C C    . LEU   A 1 22  ? -11.138 10.47   35.48   1   25.149  ? 34  LEU   A C    1 ? 1 
ATOM   254  O O    . LEU   A 1 22  ? -10.172 10.556  34.747  1   26.521  ? 34  LEU   A O    1 ? 1 
ATOM   255  C CB   . LEU   A 1 22  ? -11.33  7.995   36.008  1   28.072  ? 34  LEU   A CB   1 ? 1 
ATOM   256  C CG   . LEU   A 1 22  ? -12.114 6.669   35.895  1   31.684  ? 34  LEU   A CG   1 ? 1 
ATOM   257  C CD1  . LEU   A 1 22  ? -11.359 5.491   36.411  1   36.769  ? 34  LEU   A CD1  1 ? 1 
ATOM   258  C CD2  . LEU   A 1 22  ? -13.421 6.815   36.676  1   34.57   ? 34  LEU   A CD2  1 ? 1 
ATOM   259  H H    . LEU   A 1 22  ? -11.866 8.734   33.47   1   26.049  ? 34  LEU   A H    1 c 1 
ATOM   260  H HA   . LEU   A 1 22  ? -12.821 9.414   35.993  1   27.681  ? 34  LEU   A HA   1 c 1 
ATOM   261  H HB2  . LEU   A 1 22  ? -10.467 7.886   35.546  1   28.519  ? 34  LEU   A HB2  1 c 1 
ATOM   262  H HB3  . LEU   A 1 22  ? -11.143 8.163   36.96   1   29.732  ? 34  LEU   A HB3  1 c 1 
ATOM   263  H HG   . LEU   A 1 22  ? -12.332 6.512   34.941  1   31.459  ? 34  LEU   A HG   1 c 1 
ATOM   264  H HD11 . LEU   A 1 22  ? -10.531 5.391   35.913  1   35.083  ? 34  LEU   A HD11 1 c 1 
ATOM   265  H HD12 . LEU   A 1 22  ? -11.898 4.688   36.306  1   36.117  ? 34  LEU   A HD12 1 c 1 
ATOM   266  H HD13 . LEU   A 1 22  ? -11.157 5.623   37.352  1   36.357  ? 34  LEU   A HD13 1 c 1 
ATOM   267  H HD21 . LEU   A 1 22  ? -14.011 7.431   36.211  1   33.335  ? 34  LEU   A HD21 1 c 1 
ATOM   268  H HD22 . LEU   A 1 22  ? -13.232 7.157   37.566  1   34.62   ? 34  LEU   A HD22 1 c 1 
ATOM   269  H HD23 . LEU   A 1 22  ? -13.854 5.949   36.749  1   34.784  ? 34  LEU   A HD23 1 c 1 
ATOM   270  N N    . LYS   A 1 23  ? -11.428 11.376  36.45   1   26.119  ? 35  LYS   A N    1 ? 1 
ATOM   271  C CA   . LYS   A 1 23  ? -10.748 12.653  36.559  1   24.999  ? 35  LYS   A CA   1 ? 1 
ATOM   272  C C    . LYS   A 1 23  ? -10.006 12.805  37.893  1   25.73   ? 35  LYS   A C    1 ? 1 
ATOM   273  O O    . LYS   A 1 23  ? -10.578 12.486  38.955  1   27.03   ? 35  LYS   A O    1 ? 1 
ATOM   274  C CB   . LYS   A 1 23  ? -11.756 13.805  36.54   1   26.724  ? 35  LYS   A CB   1 ? 1 
ATOM   275  C CG   . LYS   A 1 23  ? -11.136 15.171  36.571  1   26.53   ? 35  LYS   A CG   1 ? 1 
ATOM   276  C CD   . LYS   A 1 23  ? -12.179 16.276  36.686  1   26.471  ? 35  LYS   A CD   1 ? 1 
ATOM   277  C CE   . LYS   A 1 23  ? -11.541 17.644  36.9    1   28.054  ? 35  LYS   A CE   1 ? 1 
ATOM   278  N NZ   . LYS   A 1 23  ? -12.565 18.639  37.254  1   29.594  ? 35  LYS   A NZ   1 ? 1 
ATOM   279  H H    . LYS   A 1 23  ? -12.078 11.177  37.062  1   26.509  ? 35  LYS   A H    1 c 1 
ATOM   280  H HA   . LYS   A 1 23  ? -10.113 12.748  35.81   1   24.796  ? 35  LYS   A HA   1 c 1 
ATOM   281  H HB2  . LYS   A 1 23  ? -12.305 13.73   35.73   1   25.655  ? 35  LYS   A HB2  1 c 1 
ATOM   282  H HB3  . LYS   A 1 23  ? -12.353 13.716  37.314  1   27.019  ? 35  LYS   A HB3  1 c 1 
ATOM   283  H HG2  . LYS   A 1 23  ? -10.522 15.229  37.334  1   27.149  ? 35  LYS   A HG2  1 c 1 
ATOM   284  H HG3  . LYS   A 1 23  ? -10.616 15.302  35.749  1   25.851  ? 35  LYS   A HG3  1 c 1 
ATOM   285  H HD2  . LYS   A 1 23  ? -12.718 16.297  35.866  1   26.263  ? 35  LYS   A HD2  1 c 1 
ATOM   286  H HD3  . LYS   A 1 23  ? -12.775 16.078  37.44   1   27.531  ? 35  LYS   A HD3  1 c 1 
ATOM   287  H HE2  . LYS   A 1 23  ? -10.884 17.59   37.616  1   28.509  ? 35  LYS   A HE2  1 c 1 
ATOM   288  H HE3  . LYS   A 1 23  ? -11.088 17.927  36.086  1   27.44   ? 35  LYS   A HE3  1 c 1 
ATOM   289  H HZ1  . LYS   A 1 23  ? -13.001 18.378  38.004  1   30.048  ? 35  LYS   A HZ1  1 c 1 
ATOM   290  H HZ2  . LYS   A 1 23  ? -13.159 18.719  36.576  1   29.057  ? 35  LYS   A HZ2  1 c 1 
ATOM   291  H HZ3  . LYS   A 1 23  ? -12.172 19.442  37.402  1   29.999  ? 35  LYS   A HZ3  1 c 1 
ATOM   292  N N    . ILE   A 1 24  ? -8.742  13.26   37.799  1   27.498  ? 36  ILE   A N    1 ? 1 
ATOM   293  C CA   . ILE   A 1 24  ? -8.002  13.722  38.952  1   32.571  ? 36  ILE   A CA   1 ? 1 
ATOM   294  C C    . ILE   A 1 24  ? -7.627  15.194  38.826  1   29.467  ? 36  ILE   A C    1 ? 1 
ATOM   295  O O    . ILE   A 1 24  ? -7.147  15.655  37.801  1   28.704  ? 36  ILE   A O    1 ? 1 
ATOM   296  C CB   . ILE   A 1 24  ? -6.798  12.827  39.258  1   33.007  ? 36  ILE   A CB   1 ? 1 
ATOM   297  C CG1  . ILE   A 1 24  ? -7.264  11.414  39.572  1   38.055  ? 36  ILE   A CG1  1 ? 1 
ATOM   298  C CG2  . ILE   A 1 24  ? -5.998  13.449  40.421  1   34.306  ? 36  ILE   A CG2  1 ? 1 
ATOM   299  C CD1  . ILE   A 1 24  ? -6.153  10.389  39.521  1   46.539  ? 36  ILE   A CD1  1 ? 1 
ATOM   300  H H    . ILE   A 1 24  ? -8.332  13.275  36.982  1   27.165  ? 36  ILE   A H    1 c 1 
ATOM   301  H HA   . ILE   A 1 24  ? -8.602  13.65   39.719  1   31.715  ? 36  ILE   A HA   1 c 1 
ATOM   302  H HB   . ILE   A 1 24  ? -6.226  12.796  38.466  1   33.22   ? 36  ILE   A HB   1 c 1 
ATOM   303  H HG12 . ILE   A 1 24  ? -7.663  11.404  40.466  1   39.381  ? 36  ILE   A HG12 1 c 1 
ATOM   304  H HG13 . ILE   A 1 24  ? -7.957  11.156  38.931  1   37.405  ? 36  ILE   A HG13 1 c 1 
ATOM   305  H HG21 . ILE   A 1 24  ? -5.268  12.856  40.668  1   35.251  ? 36  ILE   A HG21 1 c 1 
ATOM   306  H HG22 . ILE   A 1 24  ? -6.582  13.577  41.187  1   35.139  ? 36  ILE   A HG22 1 c 1 
ATOM   307  H HG23 . ILE   A 1 24  ? -5.634  14.306  40.148  1   34.401  ? 36  ILE   A HG23 1 c 1 
ATOM   308  H HD11 . ILE   A 1 24  ? -5.736  10.39   38.64   1   43.226  ? 36  ILE   A HD11 1 c 1 
ATOM   309  H HD12 . ILE   A 1 24  ? -6.533  9.51    39.699  1   44.265  ? 36  ILE   A HD12 1 c 1 
ATOM   310  H HD13 . ILE   A 1 24  ? -5.482  10.595  40.198  1   45.005  ? 36  ILE   A HD13 1 c 1 
ATOM   311  N N    . VAL   A 1 25  ? -7.949  16.002  39.871  1   28.519  ? 37  VAL   A N    1 ? 1 
ATOM   312  C CA   . VAL   A 1 25  ? -7.551  17.37   39.834  1   29.596  ? 37  VAL   A CA   1 ? 1 
ATOM   313  C C    . VAL   A 1 25  ? -6.106  17.416  40.315  1   31.481  ? 37  VAL   A C    1 ? 1 
ATOM   314  O O    . VAL   A 1 25  ? -5.819  16.979  41.437  1   32.454  ? 37  VAL   A O    1 ? 1 
ATOM   315  C CB   . VAL   A 1 25  ? -8.43   18.282  40.714  1   30.839  ? 37  VAL   A CB   1 ? 1 
ATOM   316  C CG1  . VAL   A 1 25  ? -7.827  19.653  40.764  1   32.158  ? 37  VAL   A CG1  1 ? 1 
ATOM   317  C CG2  . VAL   A 1 25  ? -9.829  18.38   40.15   1   29.119  ? 37  VAL   A CG2  1 ? 1 
ATOM   318  H H    . VAL   A 1 25  ? -8.412  15.681  40.591  1   29.808  ? 37  VAL   A H    1 c 1 
ATOM   319  H HA   . VAL   A 1 25  ? -7.592  17.69   38.912  1   28.803  ? 37  VAL   A HA   1 c 1 
ATOM   320  H HB   . VAL   A 1 25  ? -8.461  17.898  41.621  1   31.622  ? 37  VAL   A HB   1 c 1 
ATOM   321  H HG11 . VAL   A 1 25  ? -7.632  19.956  39.861  1   31.342  ? 37  VAL   A HG11 1 c 1 
ATOM   322  H HG12 . VAL   A 1 25  ? -7.005  19.631  41.282  1   32.974  ? 37  VAL   A HG12 1 c 1 
ATOM   323  H HG13 . VAL   A 1 25  ? -8.453  20.268  41.182  1   32.804  ? 37  VAL   A HG13 1 c 1 
ATOM   324  H HG21 . VAL   A 1 25  ? -10.381 18.918  40.743  1   30.34   ? 37  VAL   A HG21 1 c 1 
ATOM   325  H HG22 . VAL   A 1 25  ? -10.212 17.49   40.073  1   28.83   ? 37  VAL   A HG22 1 c 1 
ATOM   326  H HG23 . VAL   A 1 25  ? -9.797  18.796  39.273  1   28.681  ? 37  VAL   A HG23 1 c 1 
ATOM   327  N N    . LYS   A 1 26  ? -5.202  17.92   39.469  1   29.15   ? 38  LYS   A N    1 ? 1 
ATOM   328  C CA   . LYS   A 1 26  ? -3.791  18.008  39.842  1   30.357  ? 38  LYS   A CA   1 ? 1 
ATOM   329  C C    . LYS   A 1 26  ? -3.4    19.414  40.287  1   32.812  ? 38  LYS   A C    1 ? 1 
ATOM   330  O O    . LYS   A 1 26  ? -2.429  19.558  40.982  1   34.621  ? 38  LYS   A O    1 ? 1 
ATOM   331  C CB   . LYS   A 1 26  ? -2.886  17.684  38.663  1   32.207  ? 38  LYS   A CB   1 ? 1 
ATOM   332  C CG   . LYS   A 1 26  ? -3.099  16.264  38.147  1   31.754  ? 38  LYS   A CG   1 ? 1 
ATOM   333  C CD   . LYS   A 1 26  ? -3.084  15.153  39.178  1   37.987  ? 38  LYS   A CD   1 ? 1 
ATOM   334  C CE   . LYS   A 1 26  ? -1.744  14.957  39.698  1   39.092  ? 38  LYS   A CE   1 ? 1 
ATOM   335  N NZ   . LYS   A 1 26  ? -1.537  13.716  40.454  1   42.685  ? 38  LYS   A NZ   1 ? 1 
ATOM   336  H H    . LYS   A 1 26  ? -5.463  18.212  38.643  1   28.793  ? 38  LYS   A H    1 c 1 
ATOM   337  H HA   . LYS   A 1 26  ? -3.612  17.38   40.584  1   31.738  ? 38  LYS   A HA   1 c 1 
ATOM   338  H HB2  . LYS   A 1 26  ? -3.063  18.317  37.934  1   31.308  ? 38  LYS   A HB2  1 c 1 
ATOM   339  H HB3  . LYS   A 1 26  ? -1.949  17.786  38.935  1   32.993  ? 38  LYS   A HB3  1 c 1 
ATOM   340  H HG2  . LYS   A 1 26  ? -3.961  16.239  37.678  1   31.563  ? 38  LYS   A HG2  1 c 1 
ATOM   341  H HG3  . LYS   A 1 26  ? -2.404  16.078  37.479  1   32.681  ? 38  LYS   A HG3  1 c 1 
ATOM   342  H HD2  . LYS   A 1 26  ? -3.691  15.372  39.916  1   36.707  ? 38  LYS   A HD2  1 c 1 
ATOM   343  H HD3  . LYS   A 1 26  ? -3.394  14.319  38.76   1   35.585  ? 38  LYS   A HD3  1 c 1 
ATOM   344  H HE2  . LYS   A 1 26  ? -1.112  14.97   38.957  1   39.68   ? 38  LYS   A HE2  1 c 1 
ATOM   345  H HE3  . LYS   A 1 26  ? -1.528  15.707  40.278  1   40.967  ? 38  LYS   A HE3  1 c 1 
ATOM   346  H HZ1  . LYS   A 1 26  ? -1.652  13.002  39.908  1   41.041  ? 38  LYS   A HZ1  1 c 1 
ATOM   347  H HZ2  . LYS   A 1 26  ? -2.132  13.669  41.135  1   42.064  ? 38  LYS   A HZ2  1 c 1 
ATOM   348  H HZ3  . LYS   A 1 26  ? -0.696  13.699  40.791  1   43.131  ? 38  LYS   A HZ3  1 c 1 
ATOM   349  N N    . ARG   A 1 27  ? -4.046  20.457  39.774  1   36.125  ? 39  ARG   A N    1 ? 1 
ATOM   350  C CA   . ARG   A 1 27  ? -3.785  21.806  40.263  1   37.663  ? 39  ARG   A CA   1 ? 1 
ATOM   351  C C    . ARG   A 1 27  ? -5.138  22.463  40.383  1   42.097  ? 39  ARG   A C    1 ? 1 
ATOM   352  O O    . ARG   A 1 27  ? -5.853  22.525  39.382  1   37.028  ? 39  ARG   A O    1 ? 1 
ATOM   353  C CB   . ARG   A 1 27  ? -2.906  22.696  39.375  1   40.825  ? 39  ARG   A CB   1 ? 1 
ATOM   354  C CG   . ARG   A 1 27  ? -2.461  24.014  40.011  1   43.853  ? 39  ARG   A CG   1 ? 1 
ATOM   355  C CD   . ARG   A 1 27  ? -1.482  24.782  39.108  1   45.926  ? 39  ARG   A CD   1 ? 1 
ATOM   356  N NE   . ARG   A 1 27  ? -2.3    25.289  37.984  1   49.219  ? 39  ARG   A NE   1 ? 1 
ATOM   357  C CZ   . ARG   A 1 27  ? -1.804  25.788  36.839  1   52.938  ? 39  ARG   A CZ   1 ? 1 
ATOM   358  N NH1  . ARG   A 1 27  ? -0.519  25.617  36.542  1   48.466  ? 39  ARG   A NH1  1 ? 1 
ATOM   359  N NH2  . ARG   A 1 27  ? -2.591  26.453  36      1   52.216  ? 39  ARG   A NH2  1 ? 1 
ATOM   360  H H    . ARG   A 1 27  ? -4.651  20.336  39.1    1   33.879  ? 39  ARG   A H    1 c 1 
ATOM   361  H HA   . ARG   A 1 27  ? -3.378  21.745  41.164  1   40.21   ? 39  ARG   A HA   1 c 1 
ATOM   362  H HB2  . ARG   A 1 27  ? -2.106  22.187  39.124  1   40.39   ? 39  ARG   A HB2  1 c 1 
ATOM   363  H HB3  . ARG   A 1 27  ? -3.398  22.897  38.55   1   39.431  ? 39  ARG   A HB3  1 c 1 
ATOM   364  H HG2  . ARG   A 1 27  ? -3.247  24.575  40.185  1   44.104  ? 39  ARG   A HG2  1 c 1 
ATOM   365  H HG3  . ARG   A 1 27  ? -2.024  23.827  40.871  1   45.057  ? 39  ARG   A HG3  1 c 1 
ATOM   366  H HD2  . ARG   A 1 27  ? -1.072  25.53   39.588  1   48.506  ? 39  ARG   A HD2  1 c 1 
ATOM   367  H HD3  . ARG   A 1 27  ? -0.78   24.189  38.772  1   46.457  ? 39  ARG   A HD3  1 c 1 
ATOM   368  H HE   . ARG   A 1 27  ? -3.167  25.264  38.063  1   48.044  ? 39  ARG   A HE   1 c 1 
ATOM   369  H HH11 . ARG   A 1 27  ? 0.091   25.599  37.182  1   51.137  ? 39  ARG   A HH11 1 c 1 
ATOM   370  H HH12 . ARG   A 1 27  ? -0.275  25.532  35.695  1   49.717  ? 39  ARG   A HH12 1 c 1 
ATOM   371  H HH21 . ARG   A 1 27  ? -3.439  26.592  36.206  1   51.749  ? 39  ARG   A HH21 1 c 1 
ATOM   372  H HH22 . ARG   A 1 27  ? -2.263  26.756  35.237  1   52.56   ? 39  ARG   A HH22 1 c 1 
ATOM   373  N N    . VAL   A 1 28  ? -5.486  22.942  41.589  1   43.603  ? 40  VAL   A N    1 ? 1 
ATOM   374  C CA   . VAL   A 1 28  ? -6.786  23.569  41.782  1   46.614  ? 40  VAL   A CA   1 ? 1 
ATOM   375  C C    . VAL   A 1 28  ? -6.821  24.929  41.088  1   46.295  ? 40  VAL   A C    1 ? 1 
ATOM   376  O O    . VAL   A 1 28  ? -5.828  25.656  41.051  1   47.789  ? 40  VAL   A O    1 ? 1 
ATOM   377  C CB   . VAL   A 1 28  ? -7.1    23.683  43.271  1   50.336  ? 40  VAL   A CB   1 ? 1 
ATOM   378  C CG1  . VAL   A 1 28  ? -8.212  24.672  43.547  1   54.402  ? 40  VAL   A CG1  1 ? 1 
ATOM   379  C CG2  . VAL   A 1 28  ? -7.436  22.325  43.856  1   49.753  ? 40  VAL   A CG2  1 ? 1 
ATOM   380  H H    . VAL   A 1 28  ? -4.908  22.879  42.294  1   45.365  ? 40  VAL   A H    1 c 1 
ATOM   381  H HA   . VAL   A 1 28  ? -7.462  22.996  41.371  1   44.772  ? 40  VAL   A HA   1 c 1 
ATOM   382  H HB   . VAL   A 1 28  ? -6.284  24.013  43.717  1   51.811  ? 40  VAL   A HB   1 c 1 
ATOM   383  H HG11 . VAL   A 1 28  ? -8.963  24.492  42.958  1   52.197  ? 40  VAL   A HG11 1 c 1 
ATOM   384  H HG12 . VAL   A 1 28  ? -7.889  25.576  43.395  1   54.35   ? 40  VAL   A HG12 1 c 1 
ATOM   385  H HG13 . VAL   A 1 28  ? -8.499  24.586  44.472  1   54.535  ? 40  VAL   A HG13 1 c 1 
ATOM   386  H HG21 . VAL   A 1 28  ? -7.609  22.415  44.808  1   51.148  ? 40  VAL   A HG21 1 c 1 
ATOM   387  H HG22 . VAL   A 1 28  ? -6.688  21.718  43.72   1   49.292  ? 40  VAL   A HG22 1 c 1 
ATOM   388  H HG23 . VAL   A 1 28  ? -8.225  21.968  43.415  1   48.557  ? 40  VAL   A HG23 1 c 1 
ATOM   389  N N    . GLY   A 1 29  ? -8.007  25.262  40.562  1   45.125  ? 41  GLY   A N    1 ? 1 
ATOM   390  C CA   . GLY   A 1 29  ? -8.227  26.495  39.839  1   43.024  ? 41  GLY   A CA   1 ? 1 
ATOM   391  C C    . GLY   A 1 29  ? -8.845  27.566  40.741  1   49.998  ? 41  GLY   A C    1 ? 1 
ATOM   392  O O    . GLY   A 1 29  ? -9.108  27.366  41.94   1   47.909  ? 41  GLY   A O    1 ? 1 
ATOM   393  H H    . GLY   A 1 29  ? -8.71   24.687  40.66   1   43.837  ? 41  GLY   A H    1 c 1 
ATOM   394  H HA2  . GLY   A 1 29  ? -7.369  26.821  39.478  1   45.128  ? 41  GLY   A HA2  1 c 1 
ATOM   395  H HA3  . GLY   A 1 29  ? -8.828  26.319  39.077  1   43.58   ? 41  GLY   A HA3  1 c 1 
ATOM   396  N N    . ASN   A 1 30  ? -9.081  28.711  40.113  1   48.481  ? 42  ASN   A N    1 ? 1 
ATOM   397  C CA   . ASN   A 1 30  ? -9.516  29.914  40.801  1   54.707  ? 42  ASN   A CA   1 ? 1 
ATOM   398  C C    . ASN   A 1 30  ? -10.923 30.249  40.308  1   56.299  ? 42  ASN   A C    1 ? 1 
ATOM   399  O O    . ASN   A 1 30  ? -11.327 29.858  39.2    1   50.113  ? 42  ASN   A O    1 ? 1 
ATOM   400  C CB   . ASN   A 1 30  ? -8.464  30.998  40.622  1   59.384  ? 42  ASN   A CB   1 ? 1 
ATOM   401  C CG   . ASN   A 1 30  ? -8.35   31.487  39.197  1   63.898  ? 42  ASN   A CG   1 ? 1 
ATOM   402  O OD1  . ASN   A 1 30  ? -9.037  32.444  38.799  1   70.624  ? 42  ASN   A OD1  1 ? 1 
ATOM   403  N ND2  . ASN   A 1 30  ? -7.413  30.931  38.446  1   63.078  ? 42  ASN   A ND2  1 ? 1 
ATOM   404  H H    . ASN   A 1 30  ? -8.97   28.745  39.206  1   49.139  ? 42  ASN   A H    1 c 1 
ATOM   405  H HA   . ASN   A 1 30  ? -9.568  29.717  41.763  1   55.386  ? 42  ASN   A HA   1 c 1 
ATOM   406  H HB2  . ASN   A 1 30  ? -8.689  31.756  41.198  1   61.731  ? 42  ASN   A HB2  1 c 1 
ATOM   407  H HB3  . ASN   A 1 30  ? -7.597  30.651  40.91   1   59.779  ? 42  ASN   A HB3  1 c 1 
ATOM   408  H HD21 . ASN   A 1 30  ? -7.329  31.172  37.597  1   62.819  ? 42  ASN   A HD21 1 c 1 
ATOM   409  H HD22 . ASN   A 1 30  ? -6.869  30.319  38.788  1   62.232  ? 42  ASN   A HD22 1 c 1 
ATOM   410  N N    . GLY   A 1 31  ? -11.681 30.929  41.17   1   59.497  ? 43  GLY   A N    1 ? 1 
ATOM   411  C CA   . GLY   A 1 31  ? -13.051 31.304  40.861  1   63.072  ? 43  GLY   A CA   1 ? 1 
ATOM   412  C C    . GLY   A 1 31  ? -13.978 30.093  40.91   1   61.694  ? 43  GLY   A C    1 ? 1 
ATOM   413  O O    . GLY   A 1 31  ? -13.531 28.966  40.774  1   56.325  ? 43  GLY   A O    1 ? 1 
ATOM   414  H H    . GLY   A 1 31  ? -11.333 31.168  41.981  1   61.117  ? 43  GLY   A H    1 c 1 
ATOM   415  H HA2  . GLY   A 1 31  ? -13.356 31.979  41.513  1   64.465  ? 43  GLY   A HA2  1 c 1 
ATOM   416  H HA3  . GLY   A 1 31  ? -13.083 31.71   39.964  1   62.278  ? 43  GLY   A HA3  1 c 1 
ATOM   417  N N    . GLU   A 1 32  ? -15.281 30.348  41.069  1   66.544  ? 44  GLU   A N    1 ? 1 
ATOM   418  C CA   . GLU   A 1 32  ? -16.25  29.292  41.317  1   64.878  ? 44  GLU   A CA   1 ? 1 
ATOM   419  C C    . GLU   A 1 32  ? -16.93  28.873  40.005  1   56.746  ? 44  GLU   A C    1 ? 1 
ATOM   420  O O    . GLU   A 1 32  ? -17.54  27.811  39.985  1   64.355  ? 44  GLU   A O    1 ? 1 
ATOM   421  C CB   . GLU   A 1 32  ? -17.193 29.756  42.434  1   72.759  ? 44  GLU   A CB   1 ? 1 
ATOM   422  H H    . GLU   A 1 32  ? -15.574 31.213  41.019  1   67.022  ? 44  GLU   A H    1 c 1 
ATOM   423  H HA   . GLU   A 1 32  ? -15.76  28.505  41.665  1   63.398  ? 44  GLU   A HA   1 c 1 
ATOM   424  H HB2  . GLU   A 1 32  ? -16.747 30.133  43.085  0   30      ? 44  GLU   A HB2  1 c 1 
ATOM   425  H HB3  . GLU   A 1 32  ? -18.17  29.631  42.002  0   30      ? 44  GLU   A HB3  1 c 1 
ATOM   426  N N    . GLU   A 1 33  ? -16.763 29.641  38.907  1   50.32   ? 45  GLU   A N    1 ? 1 
ATOM   427  C CA   . GLU   A 1 33  ? -17.391 29.326  37.627  1   47.789  ? 45  GLU   A CA   1 ? 1 
ATOM   428  C C    . GLU   A 1 33  ? -16.629 28.218  36.88   1   45.776  ? 45  GLU   A C    1 ? 1 
ATOM   429  O O    . GLU   A 1 33  ? -15.4   28.22   36.758  1   41.806  ? 45  GLU   A O    1 ? 1 
ATOM   430  C CB   . GLU   A 1 33  ? -17.574 30.521  36.694  1   47.308  ? 45  GLU   A CB   1 ? 1 
ATOM   431  H H    . GLU   A 1 33  ? -16.237 30.387  38.961  1   52.613  ? 45  GLU   A H    1 c 1 
ATOM   432  H HA   . GLU   A 1 33  ? -18.301 28.987  37.823  1   48.216  ? 45  GLU   A HA   1 c 1 
ATOM   433  H HB2  . GLU   A 1 33  ? -16.567 30.865  36.433  0   30      ? 45  GLU   A HB2  1 c 1 
ATOM   434  H HB3  . GLU   A 1 33  ? -18.42  30.783  36.496  0   30      ? 45  GLU   A HB3  1 c 1 
ATOM   435  N N    . THR   A 1 34  ? -17.397 27.226  36.419  1   43.801  ? 46  THR   A N    1 ? 1 
ATOM   436  C CA   . THR   A 1 34  ? -16.943 26.299  35.38   1   42.501  ? 46  THR   A CA   1 ? 1 
ATOM   437  C C    . THR   A 1 34  ? -17.634 26.732  34.085  1   43.284  ? 46  THR   A C    1 ? 1 
ATOM   438  O O    . THR   A 1 34  ? -18.617 27.478  34.136  1   46.487  ? 46  THR   A O    1 ? 1 
ATOM   439  C CB   . THR   A 1 34  ? -17.317 24.873  35.762  1   43.005  ? 46  THR   A CB   1 ? 1 
ATOM   440  O OG1  . THR   A 1 34  ? -18.735 24.837  35.793  1   44.265  ? 46  THR   A OG1  1 ? 1 
ATOM   441  C CG2  . THR   A 1 34  ? -16.756 24.506  37.122  1   45.227  ? 46  THR   A CG2  1 ? 1 
ATOM   442  H H    . THR   A 1 34  ? -18.236 27.115  36.764  1   44.908  ? 46  THR   A H    1 c 1 
ATOM   443  H HA   . THR   A 1 34  ? -15.97  26.369  35.279  1   42.07   ? 46  THR   A HA   1 c 1 
ATOM   444  H HB   . THR   A 1 34  ? -16.984 24.241  35.082  1   41.52   ? 46  THR   A HB   1 c 1 
ATOM   445  H HG1  . THR   A 1 34  ? -19.046 25.415  36.368  0   30      ? 46  THR   A HG1  1 c 1 
ATOM   446  H HG21 . THR   A 1 34  ? -16.959 23.576  37.317  1   43.837  ? 46  THR   A HG21 1 c 1 
ATOM   447  H HG22 . THR   A 1 34  ? -17.154 25.072  37.804  1   46.198  ? 46  THR   A HG22 1 c 1 
ATOM   448  H HG23 . THR   A 1 34  ? -15.792 24.631  37.12   1   44.169  ? 46  THR   A HG23 1 c 1 
ATOM   449  N N    . PRO   A 1 35  ? -17.131 26.367  32.891  1   42.906  ? 47  PRO   A N    1 ? 1 
ATOM   450  C CA   . PRO   A 1 35  ? -17.761 26.817  31.663  1   45.845  ? 47  PRO   A CA   1 ? 1 
ATOM   451  C C    . PRO   A 1 35  ? -19.151 26.219  31.438  1   45.27   ? 47  PRO   A C    1 ? 1 
ATOM   452  O O    . PRO   A 1 35  ? -19.425 25.099  31.862  1   44.795  ? 47  PRO   A O    1 ? 1 
ATOM   453  C CB   . PRO   A 1 35  ? -16.791 26.396  30.563  1   43.254  ? 47  PRO   A CB   1 ? 1 
ATOM   454  C CG   . PRO   A 1 35  ? -15.794 25.464  31.189  1   41.619  ? 47  PRO   A CG   1 ? 1 
ATOM   455  C CD   . PRO   A 1 35  ? -15.897 25.61   32.675  1   39.039  ? 47  PRO   A CD   1 ? 1 
ATOM   456  H HA   . PRO   A 1 35  ? -17.826 27.795  31.676  1   46.589  ? 47  PRO   A HA   1 c 1 
ATOM   457  H HB2  . PRO   A 1 35  ? -17.268 25.95   29.838  1   43.124  ? 47  PRO   A HB2  1 c 1 
ATOM   458  H HB3  . PRO   A 1 35  ? -16.34  27.178  30.189  1   44.429  ? 47  PRO   A HB3  1 c 1 
ATOM   459  H HG2  . PRO   A 1 35  ? -15.981 24.541  30.928  1   39.606  ? 47  PRO   A HG2  1 c 1 
ATOM   460  H HG3  . PRO   A 1 35  ? -14.888 25.689  30.893  1   40.633  ? 47  PRO   A HG3  1 c 1 
ATOM   461  H HD2  . PRO   A 1 35  ? -15.951 24.737  33.108  1   39.198  ? 47  PRO   A HD2  1 c 1 
ATOM   462  H HD3  . PRO   A 1 35  ? -15.13  26.097  33.034  1   40.579  ? 47  PRO   A HD3  1 c 1 
ATOM   463  N N    . MET   A 1 36  ? -19.948 26.996  30.71   1   43.473  ? 48  MET   A N    1 ? 1 
ATOM   464  C CA   . MET   A 1 36  ? -21.298 26.67   30.278  1   44.371  ? 48  MET   A CA   1 ? 1 
ATOM   465  C C    . MET   A 1 36  ? -21.205 26.016  28.903  1   41.72   ? 48  MET   A C    1 ? 1 
ATOM   466  O O    . MET   A 1 36  ? -20.232 26.23   28.151  1   37.532  ? 48  MET   A O    1 ? 1 
ATOM   467  C CB   . MET   A 1 36  ? -22.122 27.955  30.143  1   48.764  ? 48  MET   A CB   1 ? 1 
ATOM   468  C CG   . MET   A 1 36  ? -22.459 28.73   31.429  1   56.427  ? 48  MET   A CG   1 ? 1 
ATOM   469  S SD   . MET   A 1 36  ? -23.25  27.738  32.716  1   55.352  ? 48  MET   A SD   1 ? 1 
ATOM   470  C CE   . MET   A 1 36  ? -21.821 27.055  33.568  1   57.37   ? 48  MET   A CE   1 ? 1 
ATOM   471  H H    . MET   A 1 36  ? -19.618 27.811  30.462  1   45.252  ? 48  MET   A H    1 c 1 
ATOM   472  H HA   . MET   A 1 36  ? -21.716 26.048  30.924  1   44.168  ? 48  MET   A HA   1 c 1 
ATOM   473  H HB2  . MET   A 1 36  ? -21.637 28.559  29.542  1   49.94   ? 48  MET   A HB2  1 c 1 
ATOM   474  H HB3  . MET   A 1 36  ? -22.965 27.724  29.698  1   50.267  ? 48  MET   A HB3  1 c 1 
ATOM   475  H HG2  . MET   A 1 36  ? -21.636 29.111  31.795  1   54.541  ? 48  MET   A HG2  1 c 1 
ATOM   476  H HG3  . MET   A 1 36  ? -23.054 29.474  31.205  1   56.843  ? 48  MET   A HG3  1 c 1 
ATOM   477  H HE1  . MET   A 1 36  ? -22.09  26.75   34.454  1   56.384  ? 48  MET   A HE1  1 c 1 
ATOM   478  H HE2  . MET   A 1 36  ? -21.463 26.304  33.06   1   54.176  ? 48  MET   A HE2  1 c 1 
ATOM   479  H HE3  . MET   A 1 36  ? -21.139 27.746  33.66   1   56.324  ? 48  MET   A HE3  1 c 1 
ATOM   480  N N    . ILE   A 1 37  ? -22.206 25.176  28.574  1   43.808  ? 49  ILE   A N    1 ? 1 
ATOM   481  C CA   . ILE   A 1 37  ? -22.278 24.613  27.233  1   42.644  ? 49  ILE   A CA   1 ? 1 
ATOM   482  C C    . ILE   A 1 37  ? -22.338 25.776  26.244  1   40.529  ? 49  ILE   A C    1 ? 1 
ATOM   483  O O    . ILE   A 1 37  ? -23.127 26.709  26.422  1   40.412  ? 49  ILE   A O    1 ? 1 
ATOM   484  C CB   . ILE   A 1 37  ? -23.453 23.62   27.035  1   45.952  ? 49  ILE   A CB   1 ? 1 
ATOM   485  C CG1  . ILE   A 1 37  ? -23.372 22.393  27.958  1   49.142  ? 49  ILE   A CG1  1 ? 1 
ATOM   486  C CG2  . ILE   A 1 37  ? -23.577 23.203  25.571  1   47.637  ? 49  ILE   A CG2  1 ? 1 
ATOM   487  C CD1  . ILE   A 1 37  ? -22.065 21.628  27.875  1   50.689  ? 49  ILE   A CD1  1 ? 1 
ATOM   488  H H    . ILE   A 1 37  ? -22.846 24.957  29.188  1   43.782  ? 49  ILE   A H    1 c 1 
ATOM   489  H HA   . ILE   A 1 37  ? -21.447 24.127  27.072  1   40.862  ? 49  ILE   A HA   1 c 1 
ATOM   490  H HB   . ILE   A 1 37  ? -24.274 24.099  27.269  1   48.265  ? 49  ILE   A HB   1 c 1 
ATOM   491  H HG12 . ILE   A 1 37  ? -23.503 22.688  28.882  1   49.308  ? 49  ILE   A HG12 1 c 1 
ATOM   492  H HG13 . ILE   A 1 37  ? -24.105 21.784  27.733  1   49.214  ? 49  ILE   A HG13 1 c 1 
ATOM   493  H HG21 . ILE   A 1 37  ? -24.241 22.498  25.489  1   47.264  ? 49  ILE   A HG21 1 c 1 
ATOM   494  H HG22 . ILE   A 1 37  ? -22.719 22.876  25.251  1   45.649  ? 49  ILE   A HG22 1 c 1 
ATOM   495  H HG23 . ILE   A 1 37  ? -23.852 23.965  25.035  1   48.578  ? 49  ILE   A HG23 1 c 1 
ATOM   496  H HD11 . ILE   A 1 37  ? -21.896 21.367  26.95   1   48.9    ? 49  ILE   A HD11 1 c 1 
ATOM   497  H HD12 . ILE   A 1 37  ? -22.127 20.827  28.43   1   48.697  ? 49  ILE   A HD12 1 c 1 
ATOM   498  H HD13 . ILE   A 1 37  ? -21.33  22.184  28.194  1   48.957  ? 49  ILE   A HD13 1 c 1 
ATOM   499  N N    . GLY   A 1 38  ? -21.504 25.703  25.193  1   40.304  ? 50  GLY   A N    1 ? 1 
ATOM   500  C CA   . GLY   A 1 38  ? -21.46  26.733  24.165  1   40.717  ? 50  GLY   A CA   1 ? 1 
ATOM   501  C C    . GLY   A 1 38  ? -20.352 27.768  24.388  1   42.91   ? 50  GLY   A C    1 ? 1 
ATOM   502  O O    . GLY   A 1 38  ? -20.1   28.604  23.526  1   44.893  ? 50  GLY   A O    1 ? 1 
ATOM   503  H H    . GLY   A 1 38  ? -20.946 24.983  25.114  1   38.227  ? 50  GLY   A H    1 c 1 
ATOM   504  H HA2  . GLY   A 1 38  ? -21.323 26.299  23.29   1   41.055  ? 50  GLY   A HA2  1 c 1 
ATOM   505  H HA3  . GLY   A 1 38  ? -22.331 27.194  24.134  1   43.25   ? 50  GLY   A HA3  1 c 1 
ATOM   506  N N    . ASP   A 1 39  ? -19.772 27.821  25.582  1   41.561  ? 51  ASP   A N    1 ? 1 
ATOM   507  C CA   . ASP   A 1 39  ? -18.663 28.733  25.824  1   43.694  ? 51  ASP   A CA   1 ? 1 
ATOM   508  C C    . ASP   A 1 39  ? -17.503 28.357  24.905  1   42.011  ? 51  ASP   A C    1 ? 1 
ATOM   509  O O    . ASP   A 1 39  ? -17.268 27.165  24.633  1   39.433  ? 51  ASP   A O    1 ? 1 
ATOM   510  C CB   . ASP   A 1 39  ? -18.229 28.762  27.282  1   40.574  ? 51  ASP   A CB   1 ? 1 
ATOM   511  C CG   . ASP   A 1 39  ? -19.132 29.412  28.324  1   42.333  ? 51  ASP   A CG   1 ? 1 
ATOM   512  O OD1  . ASP   A 1 39  ? -20.123 30.057  27.963  1   44.291  ? 51  ASP   A OD1  1 ? 1 
ATOM   513  O OD2  . ASP   A 1 39  ? -18.795 29.276  29.526  1   43.734  ? 51  ASP   A OD2  1 ? 1 
ATOM   514  H H    . ASP   A 1 39  ? -20.066 27.287  26.263  1   41.145  ? 51  ASP   A H    1 c 1 
ATOM   515  H HA   . ASP   A 1 39  ? -18.961 29.642  25.593  1   44.832  ? 51  ASP   A HA   1 c 1 
ATOM   516  H HB2  . ASP   A 1 39  ? -18.081 27.835  27.565  1   39.329  ? 51  ASP   A HB2  1 c 1 
ATOM   517  H HB3  . ASP   A 1 39  ? -17.363 29.219  27.326  1   41.301  ? 51  ASP   A HB3  1 c 1 
ATOM   518  N N    . LYS   A 1 40  ? -16.789 29.387  24.403  1   43.856  ? 52  LYS   A N    1 ? 1 
ATOM   519  C CA   . LYS   A 1 40  ? -15.493 29.169  23.77   1   41.592  ? 52  LYS   A CA   1 ? 1 
ATOM   520  C C    . LYS   A 1 40  ? -14.472 28.914  24.881  1   41.575  ? 52  LYS   A C    1 ? 1 
ATOM   521  O O    . LYS   A 1 40  ? -14.346 29.716  25.814  1   44.326  ? 52  LYS   A O    1 ? 1 
ATOM   522  C CB   . LYS   A 1 40  ? -15.058 30.372  22.906  1   44.662  ? 52  LYS   A CB   1 ? 1 
ATOM   523  H H    . LYS   A 1 40  ? -17.119 30.237  24.461  1   45.288  ? 52  LYS   A H    1 c 1 
ATOM   524  H HA   . LYS   A 1 40  ? -15.554 28.365  23.195  1   41.113  ? 52  LYS   A HA   1 c 1 
ATOM   525  H HB2  . LYS   A 1 40  ? -14.097 30.416  22.933  0   30      ? 52  LYS   A HB2  1 c 1 
ATOM   526  H HB3  . LYS   A 1 40  ? -15.882 30.843  22.638  0   30      ? 52  LYS   A HB3  1 c 1 
ATOM   527  N N    . VAL   A 1 41  ? -13.711 27.814  24.757  1   40.704  ? 53  VAL   A N    1 ? 1 
ATOM   528  C CA   . VAL   A 1 41  ? -12.793 27.375  25.798  1   39.978  ? 53  VAL   A CA   1 ? 1 
ATOM   529  C C    . VAL   A 1 41  ? -11.355 27.357  25.27   1   38.758  ? 53  VAL   A C    1 ? 1 
ATOM   530  O O    . VAL   A 1 41  ? -11.107 26.926  24.153  1   43.09   ? 53  VAL   A O    1 ? 1 
ATOM   531  C CB   . VAL   A 1 41  ? -13.218 25.985  26.292  1   41.453  ? 53  VAL   A CB   1 ? 1 
ATOM   532  C CG1  . VAL   A 1 41  ? -12.162 25.414  27.171  1   44.364  ? 53  VAL   A CG1  1 ? 1 
ATOM   533  C CG2  . VAL   A 1 41  ? -14.553 26.057  27.028  1   43.206  ? 53  VAL   A CG2  1 ? 1 
ATOM   534  H H    . VAL   A 1 41  ? -13.768 27.32   23.991  1   40.05   ? 53  VAL   A H    1 c 1 
ATOM   535  H HA   . VAL   A 1 41  ? -12.844 28      26.546  1   41.055  ? 53  VAL   A HA   1 c 1 
ATOM   536  H HB   . VAL   A 1 41  ? -13.321 25.405  25.502  1   41.1    ? 53  VAL   A HB   1 c 1 
ATOM   537  H HG11 . VAL   A 1 41  ? -11.84  26.101  27.779  1   43.651  ? 53  VAL   A HG11 1 c 1 
ATOM   538  H HG12 . VAL   A 1 41  ? -11.424 25.092  26.627  1   42.447  ? 53  VAL   A HG12 1 c 1 
ATOM   539  H HG13 . VAL   A 1 41  ? -12.529 24.678  27.683  1   41.746  ? 53  VAL   A HG13 1 c 1 
ATOM   540  H HG21 . VAL   A 1 41  ? -14.784 25.177  27.369  1   41.5    ? 53  VAL   A HG21 1 c 1 
ATOM   541  H HG22 . VAL   A 1 41  ? -15.245 26.358  26.416  1   43.631  ? 53  VAL   A HG22 1 c 1 
ATOM   542  H HG23 . VAL   A 1 41  ? -14.482 26.683  27.768  1   43.569  ? 53  VAL   A HG23 1 c 1 
ATOM   543  N N    . TYR   A 1 42  ? -10.404 27.794  26.114  1   40.344  ? 54  TYR   A N    1 ? 1 
ATOM   544  C CA   . TYR   A 1 42  ? -8.992  27.897  25.747  1   41.58   ? 54  TYR   A CA   1 ? 1 
ATOM   545  C C    . TYR   A 1 42  ? -8.174  26.993  26.67   1   37.391  ? 54  TYR   A C    1 ? 1 
ATOM   546  O O    . TYR   A 1 42  ? -8.261  27.141  27.879  1   37.081  ? 54  TYR   A O    1 ? 1 
ATOM   547  C CB   . TYR   A 1 42  ? -8.449  29.314  25.922  1   43.036  ? 54  TYR   A CB   1 ? 1 
ATOM   548  C CG   . TYR   A 1 42  ? -9.178  30.344  25.077  1   48.644  ? 54  TYR   A CG   1 ? 1 
ATOM   549  C CD1  . TYR   A 1 42  ? -10.453 30.781  25.436  1   51.919  ? 54  TYR   A CD1  1 ? 1 
ATOM   550  C CD2  . TYR   A 1 42  ? -8.586  30.923  23.961  1   56      ? 54  TYR   A CD2  1 ? 1 
ATOM   551  C CE1  . TYR   A 1 42  ? -11.146 31.71   24.677  1   52.748  ? 54  TYR   A CE1  1 ? 1 
ATOM   552  C CE2  . TYR   A 1 42  ? -9.231  31.925  23.241  1   56.211  ? 54  TYR   A CE2  1 ? 1 
ATOM   553  C CZ   . TYR   A 1 42  ? -10.518 32.304  23.59   1   58.518  ? 54  TYR   A CZ   1 ? 1 
ATOM   554  O OH   . TYR   A 1 42  ? -11.179 33.267  22.869  1   61.285  ? 54  TYR   A OH   1 ? 1 
ATOM   555  H H    . TYR   A 1 42  ? -10.649 28.038  26.961  1   40.353  ? 54  TYR   A H    1 c 1 
ATOM   556  H HA   . TYR   A 1 42  ? -8.869  27.609  24.804  1   40.706  ? 54  TYR   A HA   1 c 1 
ATOM   557  H HB2  . TYR   A 1 42  ? -8.525  29.567  26.869  1   44.156  ? 54  TYR   A HB2  1 c 1 
ATOM   558  H HB3  . TYR   A 1 42  ? -7.496  29.318  25.68   1   44.613  ? 54  TYR   A HB3  1 c 1 
ATOM   559  H HD1  . TYR   A 1 42  ? -10.883 30.384  26.176  1   49.733  ? 54  TYR   A HD1  1 c 1 
ATOM   560  H HD2  . TYR   A 1 42  ? -7.704  30.68   23.727  1   54.061  ? 54  TYR   A HD2  1 c 1 
ATOM   561  H HE1  . TYR   A 1 42  ? -12.004 31.995  24.941  1   54.382  ? 54  TYR   A HE1  1 c 1 
ATOM   562  H HE2  . TYR   A 1 42  ? -8.82   32.299  22.48   1   58.623  ? 54  TYR   A HE2  1 c 1 
ATOM   563  H HH   . TYR   A 1 42  ? -12.033 33.3    23.172  0   30      ? 54  TYR   A HH   1 c 1 
ATOM   564  N N    . VAL   A 1 43  ? -7.412  26.055  26.12   1   35.525  ? 55  VAL   A N    1 ? 1 
ATOM   565  C CA   . VAL   A 1 43  ? -6.722  25.086  26.958  1   33.615  ? 55  VAL   A CA   1 ? 1 
ATOM   566  C C    . VAL   A 1 43  ? -5.301  24.853  26.45   1   34.432  ? 55  VAL   A C    1 ? 1 
ATOM   567  O O    . VAL   A 1 43  ? -4.986  25.129  25.3    1   35.975  ? 55  VAL   A O    1 ? 1 
ATOM   568  C CB   . VAL   A 1 43  ? -7.448  23.717  27.039  1   30.804  ? 55  VAL   A CB   1 ? 1 
ATOM   569  C CG1  . VAL   A 1 43  ? -8.861  23.809  27.578  1   31.426  ? 55  VAL   A CG1  1 ? 1 
ATOM   570  C CG2  . VAL   A 1 43  ? -7.468  23.019  25.701  1   31.647  ? 55  VAL   A CG2  1 ? 1 
ATOM   571  H H    . VAL   A 1 43  ? -7.315  26.012  25.212  1   35.967  ? 55  VAL   A H    1 c 1 
ATOM   572  H HA   . VAL   A 1 43  ? -6.663  25.452  27.86   1   34.062  ? 55  VAL   A HA   1 c 1 
ATOM   573  H HB   . VAL   A 1 43  ? -6.93   23.152  27.66   1   30.8    ? 55  VAL   A HB   1 c 1 
ATOM   574  H HG11 . VAL   A 1 43  ? -9.4    24.354  26.982  1   31.863  ? 55  VAL   A HG11 1 c 1 
ATOM   575  H HG12 . VAL   A 1 43  ? -8.847  24.214  28.461  1   31.539  ? 55  VAL   A HG12 1 c 1 
ATOM   576  H HG13 . VAL   A 1 43  ? -9.246  22.918  27.637  1   29.889  ? 55  VAL   A HG13 1 c 1 
ATOM   577  H HG21 . VAL   A 1 43  ? -8.015  22.218  25.761  1   30.036  ? 55  VAL   A HG21 1 c 1 
ATOM   578  H HG22 . VAL   A 1 43  ? -6.563  22.771  25.448  1   31.474  ? 55  VAL   A HG22 1 c 1 
ATOM   579  H HG23 . VAL   A 1 43  ? -7.84   23.614  25.03   1   32.115  ? 55  VAL   A HG23 1 c 1 
ATOM   580  N N    . HIS   A 1 44  ? -4.459  24.283  27.341  1   37.264  ? 56  HIS   A N    1 ? 1 
ATOM   581  C CA   . HIS   A 1 44  ? -3.258  23.566  26.924  1   35.405  ? 56  HIS   A CA   1 ? 1 
ATOM   582  C C    . HIS   A 1 44  ? -3.436  22.131  27.345  1   34.127  ? 56  HIS   A C    1 ? 1 
ATOM   583  O O    . HIS   A 1 44  ? -4.154  21.873  28.326  1   33.348  ? 56  HIS   A O    1 ? 1 
ATOM   584  C CB   . HIS   A 1 44  ? -1.948  24.103  27.531  1   36.567  ? 56  HIS   A CB   1 ? 1 
ATOM   585  C CG   . HIS   A 1 44  ? -1.333  25.176  26.692  1   43.999  ? 56  HIS   A CG   1 ? 1 
ATOM   586  N ND1  . HIS   A 1 44  ? -0.948  24.997  25.377  1   44.65   ? 56  HIS   A ND1  1 ? 1 
ATOM   587  C CD2  . HIS   A 1 44  ? -1.039  26.427  27.016  1   45.01   ? 56  HIS   A CD2  1 ? 1 
ATOM   588  C CE1  . HIS   A 1 44  ? -0.422  26.123  24.925  1   49.214  ? 56  HIS   A CE1  1 ? 1 
ATOM   589  N NE2  . HIS   A 1 44  ? -0.485  27.014  25.906  1   52.105  ? 56  HIS   A NE2  1 ? 1 
ATOM   590  H H    . HIS   A 1 44  ? -4.643  24.348  28.234  1   35.753  ? 56  HIS   A H    1 c 1 
ATOM   591  H HA   . HIS   A 1 44  ? -3.199  23.597  25.939  1   36.227  ? 56  HIS   A HA   1 c 1 
ATOM   592  H HB2  . HIS   A 1 44  ? -2.136  24.462  28.425  1   37.948  ? 56  HIS   A HB2  1 c 1 
ATOM   593  H HB3  . HIS   A 1 44  ? -1.31   23.362  27.622  1   37.532  ? 56  HIS   A HB3  1 c 1 
ATOM   594  H HD1  . HIS   A 1 44  ? -1.112  24.243  24.946  0   30      ? 56  HIS   A HD1  1 c 1 
ATOM   595  H HD2  . HIS   A 1 44  ? -1.187  26.844  27.842  1   46.604  ? 56  HIS   A HD2  1 c 1 
ATOM   596  H HE1  . HIS   A 1 44  ? -0.091  26.274  24.057  1   50.268  ? 56  HIS   A HE1  1 c 1 
ATOM   597  H HE2  . HIS   A 1 44  ? -0.127  27.792  25.88   0   30      ? 56  HIS   A HE2  1 c 1 
ATOM   598  N N    . TYR   A 1 45  ? -2.908  21.222  26.53   1   36.727  ? 57  TYR   A N    1 ? 1 
ATOM   599  C CA   . TYR   A 1 45  ? -3.121  19.807  26.798  1   32.325  ? 57  TYR   A CA   1 ? 1 
ATOM   600  C C    . TYR   A 1 45  ? -1.927  18.979  26.34   1   31.322  ? 57  TYR   A C    1 ? 1 
ATOM   601  O O    . TYR   A 1 45  ? -1.21   19.348  25.426  1   32.609  ? 57  TYR   A O    1 ? 1 
ATOM   602  C CB   . TYR   A 1 45  ? -4.365  19.268  26.09   1   27.254  ? 57  TYR   A CB   1 ? 1 
ATOM   603  C CG   . TYR   A 1 45  ? -4.235  19.02   24.593  1   30.356  ? 57  TYR   A CG   1 ? 1 
ATOM   604  C CD1  . TYR   A 1 45  ? -3.774  17.807  24.079  1   30.844  ? 57  TYR   A CD1  1 ? 1 
ATOM   605  C CD2  . TYR   A 1 45  ? -4.59   20.012  23.699  1   35.524  ? 57  TYR   A CD2  1 ? 1 
ATOM   606  C CE1  . TYR   A 1 45  ? -3.639  17.597  22.724  1   32.819  ? 57  TYR   A CE1  1 ? 1 
ATOM   607  C CE2  . TYR   A 1 45  ? -4.485  19.812  22.336  1   36.771  ? 57  TYR   A CE2  1 ? 1 
ATOM   608  C CZ   . TYR   A 1 45  ? -4.04   18.602  21.847  1   34.853  ? 57  TYR   A CZ   1 ? 1 
ATOM   609  O OH   . TYR   A 1 45  ? -3.993  18.561  20.485  1   34.724  ? 57  TYR   A OH   1 ? 1 
ATOM   610  H H    . TYR   A 1 45  ? -2.412  21.475  25.805  1   36.293  ? 57  TYR   A H    1 c 1 
ATOM   611  H HA   . TYR   A 1 45  ? -3.235  19.686  27.775  1   31.453  ? 57  TYR   A HA   1 c 1 
ATOM   612  H HB2  . TYR   A 1 45  ? -4.622  18.424  26.525  1   27.672  ? 57  TYR   A HB2  1 c 1 
ATOM   613  H HB3  . TYR   A 1 45  ? -5.1    19.904  26.238  1   28.655  ? 57  TYR   A HB3  1 c 1 
ATOM   614  H HD1  . TYR   A 1 45  ? -3.517  17.122  24.676  1   30.489  ? 57  TYR   A HD1  1 c 1 
ATOM   615  H HD2  . TYR   A 1 45  ? -4.915  20.837  24.023  1   34.993  ? 57  TYR   A HD2  1 c 1 
ATOM   616  H HE1  . TYR   A 1 45  ? -3.34   16.767  22.396  1   32.624  ? 57  TYR   A HE1  1 c 1 
ATOM   617  H HE2  . TYR   A 1 45  ? -4.742  20.494  21.739  1   37.066  ? 57  TYR   A HE2  1 c 1 
ATOM   618  H HH   . TYR   A 1 45  ? -3.648  17.816  20.247  0   30      ? 57  TYR   A HH   1 c 1 
ATOM   619  N N    . LYS   A 1 46  ? -1.76   17.852  27.013  1   31.161  ? 58  LYS   A N    1 ? 1 
ATOM   620  C CA   . LYS   A 1 46  ? -0.886  16.778  26.59   1   30.201  ? 58  LYS   A CA   1 ? 1 
ATOM   621  C C    . LYS   A 1 46  ? -1.68   15.475  26.604  1   29.188  ? 58  LYS   A C    1 ? 1 
ATOM   622  O O    . LYS   A 1 46  ? -2.331  15.131  27.594  1   33.042  ? 58  LYS   A O    1 ? 1 
ATOM   623  C CB   . LYS   A 1 46  ? 0.298   16.749  27.542  1   31.648  ? 58  LYS   A CB   1 ? 1 
ATOM   624  C CG   . LYS   A 1 46  ? 1.123   17.988  27.603  1   34.153  ? 58  LYS   A CG   1 ? 1 
ATOM   625  C CD   . LYS   A 1 46  ? 2.207   17.895  28.676  1   35.198  ? 58  LYS   A CD   1 ? 1 
ATOM   626  C CE   . LYS   A 1 46  ? 2.887   19.207  28.874  1   41.739  ? 58  LYS   A CE   1 ? 1 
ATOM   627  N NZ   . LYS   A 1 46  ? 3.988   19.076  29.827  1   43.518  ? 58  LYS   A NZ   1 ? 1 
ATOM   628  H H    . LYS   A 1 46  ? -2.222  17.743  27.794  1   30.054  ? 58  LYS   A H    1 c 1 
ATOM   629  H HA   . LYS   A 1 46  ? -0.571  16.962  25.669  1   31.299  ? 58  LYS   A HA   1 c 1 
ATOM   630  H HB2  . LYS   A 1 46  ? -0.037  16.562  28.445  1   31.167  ? 58  LYS   A HB2  1 c 1 
ATOM   631  H HB3  . LYS   A 1 46  ? 0.883   16.005  27.286  1   32.157  ? 58  LYS   A HB3  1 c 1 
ATOM   632  H HG2  . LYS   A 1 46  ? 1.543   18.134  26.727  1   34.782  ? 58  LYS   A HG2  1 c 1 
ATOM   633  H HG3  . LYS   A 1 46  ? 0.54    18.753  27.797  1   33.683  ? 58  LYS   A HG3  1 c 1 
ATOM   634  H HD2  . LYS   A 1 46  ? 1.8     17.613  29.523  1   35.471  ? 58  LYS   A HD2  1 c 1 
ATOM   635  H HD3  . LYS   A 1 46  ? 2.872   17.223  28.41   1   36.88   ? 58  LYS   A HD3  1 c 1 
ATOM   636  H HE2  . LYS   A 1 46  ? 3.237   19.529  28.024  1   41.545  ? 58  LYS   A HE2  1 c 1 
ATOM   637  H HE3  . LYS   A 1 46  ? 2.249   19.862  29.211  1   40.194  ? 58  LYS   A HE3  1 c 1 
ATOM   638  H HZ1  . LYS   A 1 46  ? 4.59    18.474  29.519  1   44.031  ? 58  LYS   A HZ1  1 c 1 
ATOM   639  H HZ2  . LYS   A 1 46  ? 3.669   18.796  30.627  1   42.796  ? 58  LYS   A HZ2  1 c 1 
ATOM   640  H HZ3  . LYS   A 1 46  ? 4.397   19.878  29.935  1   44.894  ? 58  LYS   A HZ3  1 c 1 
ATOM   641  N N    . GLY   A 1 47  ? -1.726  14.794  25.451  1   29.161  ? 59  GLY   A N    1 ? 1 
ATOM   642  C CA   . GLY   A 1 47  ? -2.505  13.567  25.351  1   27.919  ? 59  GLY   A CA   1 ? 1 
ATOM   643  C C    . GLY   A 1 47  ? -1.665  12.411  24.842  1   27.61   ? 59  GLY   A C    1 ? 1 
ATOM   644  O O    . GLY   A 1 47  ? -0.607  12.626  24.238  1   30.649  ? 59  GLY   A O    1 ? 1 
ATOM   645  H H    . GLY   A 1 47  ? -1.269  15.094  24.719  1   29.991  ? 59  GLY   A H    1 c 1 
ATOM   646  H HA2  . GLY   A 1 47  ? -2.872  13.342  26.234  1   27.112  ? 59  GLY   A HA2  1 c 1 
ATOM   647  H HA3  . GLY   A 1 47  ? -3.262  13.717  24.737  1   27.183  ? 59  GLY   A HA3  1 c 1 
ATOM   648  N N    . LYS   A 1 48  ? -2.117  11.199  25.15   1   29.163  ? 60  LYS   A N    1 ? 1 
ATOM   649  C CA   . LYS   A 1 48  ? -1.442  10.019  24.672  1   28.826  ? 60  LYS   A CA   1 ? 1 
ATOM   650  C C    . LYS   A 1 48  ? -2.418  8.859   24.647  1   27.786  ? 60  LYS   A C    1 ? 1 
ATOM   651  O O    . LYS   A 1 48  ? -3.452  8.855   25.313  1   24.38   ? 60  LYS   A O    1 ? 1 
ATOM   652  C CB   . LYS   A 1 48  ? -0.216  9.613   25.472  1   33.104  ? 60  LYS   A CB   1 ? 1 
ATOM   653  C CG   . LYS   A 1 48  ? -0.535  9.293   26.936  1   33.233  ? 60  LYS   A CG   1 ? 1 
ATOM   654  C CD   . LYS   A 1 48  ? 0.716   9.27    27.784  1   39.794  ? 60  LYS   A CD   1 ? 1 
ATOM   655  C CE   . LYS   A 1 48  ? 1.289   7.925   27.919  1   50.288  ? 60  LYS   A CE   1 ? 1 
ATOM   656  N NZ   . LYS   A 1 48  ? 2.146   7.983   29.109  1   61.134  ? 60  LYS   A NZ   1 ? 1 
ATOM   657  H H    . LYS   A 1 48  ? -2.861  11.107  25.673  1   27.478  ? 60  LYS   A H    1 c 1 
ATOM   658  H HA   . LYS   A 1 48  ? -1.153  10.194  23.741  1   30.143  ? 60  LYS   A HA   1 c 1 
ATOM   659  H HB2  . LYS   A 1 48  ? 0.192   8.823   25.057  1   33.26   ? 60  LYS   A HB2  1 c 1 
ATOM   660  H HB3  . LYS   A 1 48  ? 0.44    10.342  25.442  1   33.389  ? 60  LYS   A HB3  1 c 1 
ATOM   661  H HG2  . LYS   A 1 48  ? -1.152  9.973   27.285  1   33.319  ? 60  LYS   A HG2  1 c 1 
ATOM   662  H HG3  . LYS   A 1 48  ? -0.98   8.419   26.983  1   33.926  ? 60  LYS   A HG3  1 c 1 
ATOM   663  H HD2  . LYS   A 1 48  ? 1.388   9.866   27.388  1   41.266  ? 60  LYS   A HD2  1 c 1 
ATOM   664  H HD3  . LYS   A 1 48  ? 0.496   9.616   28.677  1   40.36   ? 60  LYS   A HD3  1 c 1 
ATOM   665  H HE2  . LYS   A 1 48  ? 0.592   7.256   28.047  1   48.892  ? 60  LYS   A HE2  1 c 1 
ATOM   666  H HE3  . LYS   A 1 48  ? 1.82    7.695   27.136  1   50.562  ? 60  LYS   A HE3  1 c 1 
ATOM   667  H HZ1  . LYS   A 1 48  ? 1.637   8.049   29.855  1   57.087  ? 60  LYS   A HZ1  1 c 1 
ATOM   668  H HZ2  . LYS   A 1 48  ? 2.7     8.699   29.06   1   58.411  ? 60  LYS   A HZ2  1 c 1 
ATOM   669  H HZ3  . LYS   A 1 48  ? 2.645   7.228   29.159  1   58.942  ? 60  LYS   A HZ3  1 c 1 
ATOM   670  N N    . LEU   A 1 49  ? -2.077  7.858   23.817  1   26.789  ? 61  LEU   A N    1 ? 1 
ATOM   671  C CA   . LEU   A 1 49  ? -2.693  6.552   23.916  1   26.434  ? 61  LEU   A CA   1 ? 1 
ATOM   672  C C    . LEU   A 1 49  ? -2.127  5.896   25.169  1   28.952  ? 61  LEU   A C    1 ? 1 
ATOM   673  O O    . LEU   A 1 49  ? -0.937  6.07    25.469  1   33.797  ? 61  LEU   A O    1 ? 1 
ATOM   674  C CB   . LEU   A 1 49  ? -2.299  5.707   22.684  1   28.22   ? 61  LEU   A CB   1 ? 1 
ATOM   675  C CG   . LEU   A 1 49  ? -2.795  6.263   21.352  1   27.691  ? 61  LEU   A CG   1 ? 1 
ATOM   676  C CD1  . LEU   A 1 49  ? -2.364  5.289   20.26   1   33.173  ? 61  LEU   A CD1  1 ? 1 
ATOM   677  C CD2  . LEU   A 1 49  ? -4.259  6.441   21.356  1   27.447  ? 61  LEU   A CD2  1 ? 1 
ATOM   678  H H    . LEU   A 1 49  ? -1.44   7.999   23.178  1   28.065  ? 61  LEU   A H    1 c 1 
ATOM   679  H HA   . LEU   A 1 49  ? -3.676  6.643   23.982  1   26.008  ? 61  LEU   A HA   1 c 1 
ATOM   680  H HB2  . LEU   A 1 49  ? -1.316  5.645   22.652  1   29.139  ? 61  LEU   A HB2  1 c 1 
ATOM   681  H HB3  . LEU   A 1 49  ? -2.663  4.8     22.802  1   28.157  ? 61  LEU   A HB3  1 c 1 
ATOM   682  H HG   . LEU   A 1 49  ? -2.362  7.141   21.191  1   28.896  ? 61  LEU   A HG   1 c 1 
ATOM   683  H HD11 . LEU   A 1 49  ? -1.394  5.287   20.19   1   33.011  ? 61  LEU   A HD11 1 c 1 
ATOM   684  H HD12 . LEU   A 1 49  ? -2.749  5.561   19.411  1   32.051  ? 61  LEU   A HD12 1 c 1 
ATOM   685  H HD13 . LEU   A 1 49  ? -2.673  4.394   20.482  1   31.95   ? 61  LEU   A HD13 1 c 1 
ATOM   686  H HD21 . LEU   A 1 49  ? -4.498  7.178   21.943  1   26.356  ? 61  LEU   A HD21 1 c 1 
ATOM   687  H HD22 . LEU   A 1 49  ? -4.685  5.626   21.67   1   26.982  ? 61  LEU   A HD22 1 c 1 
ATOM   688  H HD23 . LEU   A 1 49  ? -4.564  6.637   20.454  1   27.312  ? 61  LEU   A HD23 1 c 1 
ATOM   689  N N    . SER   A 1 50  ? -2.941  5.122   25.891  1   32.426  ? 62  SER   A N    1 ? 1 
ATOM   690  C CA   . SER   A 1 50  ? -2.37   4.37    27.021  1   38.73   ? 62  SER   A CA   1 ? 1 
ATOM   691  C C    . SER   A 1 50  ? -1.275  3.369   26.632  1   45.896  ? 62  SER   A C    1 ? 1 
ATOM   692  O O    . SER   A 1 50  ? -0.404  3.082   27.463  1   49.29   ? 62  SER   A O    1 ? 1 
ATOM   693  C CB   . SER   A 1 50  ? -3.468  3.752   27.848  1   44.824  ? 62  SER   A CB   1 ? 1 
ATOM   694  O OG   . SER   A 1 50  ? -4.206  4.836   28.405  1   45.95   ? 62  SER   A OG   1 ? 1 
ATOM   695  H H    . SER   A 1 50  ? -3.832  5.055   25.697  1   31.713  ? 62  SER   A H    1 c 1 
ATOM   696  H HA   . SER   A 1 50  ? -1.93   5.041   27.603  1   39.613  ? 62  SER   A HA   1 c 1 
ATOM   697  H HB2  . SER   A 1 50  ? -4.046  3.204   27.284  1   43.662  ? 62  SER   A HB2  1 c 1 
ATOM   698  H HB3  . SER   A 1 50  ? -3.086  3.202   28.558  1   44.662  ? 62  SER   A HB3  1 c 1 
ATOM   699  H HG   . SER   A 1 50  ? -4.858  4.553   28.824  0   30      ? 62  SER   A HG   1 c 1 
ATOM   700  N N    . ASN   A 1 51  ? -1.22   2.884   25.383  1   45.716  ? 63  ASN   A N    1 ? 1 
ATOM   701  C CA   . ASN   A 1 51  ? -0.18   1.938   24.993  1   49.996  ? 63  ASN   A CA   1 ? 1 
ATOM   702  C C    . ASN   A 1 51  ? 1.173   2.646   24.79   1   50.492  ? 63  ASN   A C    1 ? 1 
ATOM   703  O O    . ASN   A 1 51  ? 2.182   2.001   24.53   1   51.803  ? 63  ASN   A O    1 ? 1 
ATOM   704  C CB   . ASN   A 1 51  ? -0.612  1.109   23.791  1   45.984  ? 63  ASN   A CB   1 ? 1 
ATOM   705  C CG   . ASN   A 1 51  ? -0.646  1.909   22.508  1   50.859  ? 63  ASN   A CG   1 ? 1 
ATOM   706  O OD1  . ASN   A 1 51  ? -0.363  3.113   22.528  1   41.896  ? 63  ASN   A OD1  1 ? 1 
ATOM   707  N ND2  . ASN   A 1 51  ? -1.011  1.268   21.4    1   46.714  ? 63  ASN   A ND2  1 ? 1 
ATOM   708  H H    . ASN   A 1 51  ? -1.845  3.138   24.766  1   45.36   ? 63  ASN   A H    1 c 1 
ATOM   709  H HA   . ASN   A 1 51  ? -0.066  1.306   25.738  1   49.251  ? 63  ASN   A HA   1 c 1 
ATOM   710  H HB2  . ASN   A 1 51  ? 0.006   0.359   23.682  1   49.665  ? 63  ASN   A HB2  1 c 1 
ATOM   711  H HB3  . ASN   A 1 51  ? -1.503  0.742   23.96   1   47.451  ? 63  ASN   A HB3  1 c 1 
ATOM   712  H HD21 . ASN   A 1 51  ? -1.004  1.694   20.621  1   48.069  ? 63  ASN   A HD21 1 c 1 
ATOM   713  H HD22 . ASN   A 1 51  ? -1.26   0.418   21.44   1   48.603  ? 63  ASN   A HD22 1 c 1 
ATOM   714  N N    . GLY   A 1 52  ? 1.18    3.979   24.885  1   52.401  ? 64  GLY   A N    1 ? 1 
ATOM   715  C CA   . GLY   A 1 52  ? 2.372   4.807   24.773  1   52.913  ? 64  GLY   A CA   1 ? 1 
ATOM   716  C C    . GLY   A 1 52  ? 2.892   4.965   23.341  1   50.608  ? 64  GLY   A C    1 ? 1 
ATOM   717  O O    . GLY   A 1 52  ? 4.042   5.385   23.165  1   59.488  ? 64  GLY   A O    1 ? 1 
ATOM   718  H H    . GLY   A 1 52  ? 0.383   4.407   25.01   1   49.96   ? 64  GLY   A H    1 c 1 
ATOM   719  H HA2  . GLY   A 1 52  ? 2.171   5.699   25.142  1   51.419  ? 64  GLY   A HA2  1 c 1 
ATOM   720  H HA3  . GLY   A 1 52  ? 3.083   4.41    25.33   1   53.548  ? 64  GLY   A HA3  1 c 1 
ATOM   721  N N    . LYS   A 1 53  ? 2.119   4.602   22.314  1   45.503  ? 65  LYS   A N    1 ? 1 
ATOM   722  C CA   . LYS   A 1 53  ? 2.693   4.544   20.977  1   48.262  ? 65  LYS   A CA   1 ? 1 
ATOM   723  C C    . LYS   A 1 53  ? 2.509   5.903   20.287  1   49.67   ? 65  LYS   A C    1 ? 1 
ATOM   724  O O    . LYS   A 1 53  ? 3.164   6.157   19.271  1   52.283  ? 65  LYS   A O    1 ? 1 
ATOM   725  C CB   . LYS   A 1 53  ? 2.21    3.324   20.175  1   49.56   ? 65  LYS   A CB   1 ? 1 
ATOM   726  H H    . LYS   A 1 53  ? 1.238   4.393   22.44   1   45.65   ? 65  LYS   A H    1 c 1 
ATOM   727  H HA   . LYS   A 1 53  ? 3.668   4.408   21.082  1   50.228  ? 65  LYS   A HA   1 c 1 
ATOM   728  H HB2  . LYS   A 1 53  ? 2.973   2.857   19.809  0   30      ? 65  LYS   A HB2  1 c 1 
ATOM   729  H HB3  . LYS   A 1 53  ? 1.21    3.348   20.134  0   30      ? 65  LYS   A HB3  1 c 1 
ATOM   730  N N    . LYS   A 1 54  ? 1.605   6.764   20.818  1   47.94   ? 66  LYS   A N    1 ? 1 
ATOM   731  C CA   . LYS   A 1 54  ? 1.298   8.062   20.217  1   42.146  ? 66  LYS   A CA   1 ? 1 
ATOM   732  C C    . LYS   A 1 54  ? 1.025   9.106   21.305  1   42.778  ? 66  LYS   A C    1 ? 1 
ATOM   733  O O    . LYS   A 1 54  ? 0.417   8.808   22.351  1   36.026  ? 66  LYS   A O    1 ? 1 
ATOM   734  C CB   . LYS   A 1 54  ? 0.124   8.084   19.228  1   40.997  ? 66  LYS   A CB   1 ? 1 
ATOM   735  C CG   . LYS   A 1 54  ? 0.332   7.175   18.043  1   49.751  ? 66  LYS   A CG   1 ? 1 
ATOM   736  C CD   . LYS   A 1 54  ? -0.937  6.835   17.282  1   56.219  ? 66  LYS   A CD   1 ? 1 
ATOM   737  C CE   . LYS   A 1 54  ? -0.771  5.612   16.408  1   56.152  ? 66  LYS   A CE   1 ? 1 
ATOM   738  N NZ   . LYS   A 1 54  ? 0.298   5.845   15.439  1   62.476  ? 66  LYS   A NZ   1 ? 1 
ATOM   739  H H    . LYS   A 1 54  ? 1.161   6.526   21.581  1   45.558  ? 66  LYS   A H    1 c 1 
ATOM   740  H HA   . LYS   A 1 54  ? 2.101   8.354   19.716  1   44.928  ? 66  LYS   A HA   1 c 1 
ATOM   741  H HB2  . LYS   A 1 54  ? -0.694  7.811   19.696  1   41.257  ? 66  LYS   A HB2  1 c 1 
ATOM   742  H HB3  . LYS   A 1 54  ? -0.005  9.001   18.903  1   42.567  ? 66  LYS   A HB3  1 c 1 
ATOM   743  H HG2  . LYS   A 1 54  ? 0.966   7.606   17.429  1   50.728  ? 66  LYS   A HG2  1 c 1 
ATOM   744  H HG3  . LYS   A 1 54  ? 0.742   6.342   18.356  1   49.896  ? 66  LYS   A HG3  1 c 1 
ATOM   745  H HD2  . LYS   A 1 54  ? -1.657  6.676   17.925  1   52.12   ? 66  LYS   A HD2  1 c 1 
ATOM   746  H HD3  . LYS   A 1 54  ? -1.189  7.601   16.721  1   53.918  ? 66  LYS   A HD3  1 c 1 
ATOM   747  H HE2  . LYS   A 1 54  ? -0.541  4.842   16.958  1   57.454  ? 66  LYS   A HE2  1 c 1 
ATOM   748  H HE3  . LYS   A 1 54  ? -1.598  5.419   15.933  1   56.84   ? 66  LYS   A HE3  1 c 1 
ATOM   749  H HZ1  . LYS   A 1 54  ? 1.106   5.771   15.841  1   61.85   ? 66  LYS   A HZ1  1 c 1 
ATOM   750  H HZ2  . LYS   A 1 54  ? 0.218   6.674   15.079  1   61.188  ? 66  LYS   A HZ2  1 c 1 
ATOM   751  H HZ3  . LYS   A 1 54  ? 0.243   5.231   14.775  1   62.08   ? 66  LYS   A HZ3  1 c 1 
ATOM   752  N N    . PHE   A 1 55  ? 1.463   10.338  20.98   1   39.146  ? 67  PHE   A N    1 ? 1 
ATOM   753  C CA   . PHE   A 1 55  ? 1.465   11.493  21.864  1   45.655  ? 67  PHE   A CA   1 ? 1 
ATOM   754  C C    . PHE   A 1 55  ? 1.155   12.763  21.08   1   44.127  ? 67  PHE   A C    1 ? 1 
ATOM   755  O O    . PHE   A 1 55  ? 1.508   12.906  19.909  1   50.506  ? 67  PHE   A O    1 ? 1 
ATOM   756  C CB   . PHE   A 1 55  ? 2.816   11.787  22.486  1   44.806  ? 67  PHE   A CB   1 ? 1 
ATOM   757  C CG   . PHE   A 1 55  ? 3.428   10.554  23.104  1   50.593  ? 67  PHE   A CG   1 ? 1 
ATOM   758  C CD1  . PHE   A 1 55  ? 4.09    9.611   22.302  1   50.887  ? 67  PHE   A CD1  1 ? 1 
ATOM   759  C CD2  . PHE   A 1 55  ? 3.339   10.33   24.48   1   51.478  ? 67  PHE   A CD2  1 ? 1 
ATOM   760  C CE1  . PHE   A 1 55  ? 4.665   8.488   22.873  1   49.834  ? 67  PHE   A CE1  1 ? 1 
ATOM   761  C CE2  . PHE   A 1 55  ? 3.909   9.19    25.039  1   51.717  ? 67  PHE   A CE2  1 ? 1 
ATOM   762  C CZ   . PHE   A 1 55  ? 4.565   8.275   24.238  1   49.79   ? 67  PHE   A CZ   1 ? 1 
ATOM   763  H H    . PHE   A 1 55  ? 1.783   10.46   20.132  1   42.715  ? 67  PHE   A H    1 c 1 
ATOM   764  H HA   . PHE   A 1 55  ? 0.789   11.366  22.578  1   41.854  ? 67  PHE   A HA   1 c 1 
ATOM   765  H HB2  . PHE   A 1 55  ? 3.42    12.134  21.791  1   47.974  ? 67  PHE   A HB2  1 c 1 
ATOM   766  H HB3  . PHE   A 1 55  ? 2.705   12.476  23.178  1   46.153  ? 67  PHE   A HB3  1 c 1 
ATOM   767  H HD1  . PHE   A 1 55  ? 4.162   9.756   21.372  1   51.334  ? 67  PHE   A HD1  1 c 1 
ATOM   768  H HD2  . PHE   A 1 55  ? 2.892   10.954  25.03   1   49.967  ? 67  PHE   A HD2  1 c 1 
ATOM   769  H HE1  . PHE   A 1 55  ? 5.108   7.857   22.328  1   51.678  ? 67  PHE   A HE1  1 c 1 
ATOM   770  H HE2  . PHE   A 1 55  ? 3.848   9.043   25.97   1   50.703  ? 67  PHE   A HE2  1 c 1 
ATOM   771  H HZ   . PHE   A 1 55  ? 4.95    7.504   24.623  1   51.25   ? 67  PHE   A HZ   1 c 1 
ATOM   772  N N    . ASP   A 1 56  ? 0.434   13.668  21.723  1   36.509  ? 68  ASP   A N    1 ? 1 
ATOM   773  C CA   . ASP   A 1 56  ? -0.004  14.878  21.063  1   37.023  ? 68  ASP   A CA   1 ? 1 
ATOM   774  C C    . ASP   A 1 56  ? -0.038  15.954  22.127  1   36.314  ? 68  ASP   A C    1 ? 1 
ATOM   775  O O    . ASP   A 1 56  ? -0.46   15.722  23.243  1   36.351  ? 68  ASP   A O    1 ? 1 
ATOM   776  C CB   . ASP   A 1 56  ? -1.345  14.73   20.363  1   33.744  ? 68  ASP   A CB   1 ? 1 
ATOM   777  C CG   . ASP   A 1 56  ? -1.88   16.033  19.778  1   38.294  ? 68  ASP   A CG   1 ? 1 
ATOM   778  O OD1  . ASP   A 1 56  ? -1.078  16.771  19.18   1   38.72   ? 68  ASP   A OD1  1 ? 1 
ATOM   779  O OD2  . ASP   A 1 56  ? -3.093  16.316  19.899  1   37.824  ? 68  ASP   A OD2  1 ? 1 
ATOM   780  H H    . ASP   A 1 56  ? 0.205   13.53   22.597  1   37.17   ? 68  ASP   A H    1 c 1 
ATOM   781  H HA   . ASP   A 1 56  ? 0.667   15.126  20.388  1   38.119  ? 68  ASP   A HA   1 c 1 
ATOM   782  H HB2  . ASP   A 1 56  ? -1.249  14.081  19.635  1   35.416  ? 68  ASP   A HB2  1 c 1 
ATOM   783  H HB3  . ASP   A 1 56  ? -2.003  14.381  21      1   33.708  ? 68  ASP   A HB3  1 c 1 
ATOM   784  N N    . SER   A 1 57  ? 0.387   17.153  21.778  1   37.882  ? 69  SER   A N    1 ? 1 
ATOM   785  C CA   . SER   A 1 57  ? 0.364   18.22   22.751  1   39.245  ? 69  SER   A CA   1 ? 1 
ATOM   786  C C    . SER   A 1 57  ? 0.09    19.521  22.021  1   40.941  ? 69  SER   A C    1 ? 1 
ATOM   787  O O    . SER   A 1 57  ? 0.636   19.728  20.92   1   44.511  ? 69  SER   A O    1 ? 1 
ATOM   788  C CB   . SER   A 1 57  ? 1.653   18.281  23.531  1   41.374  ? 69  SER   A CB   1 ? 1 
ATOM   789  O OG   . SER   A 1 57  ? 1.85    19.542  24.155  1   45.917  ? 69  SER   A OG   1 ? 1 
ATOM   790  H H    . SER   A 1 57  ? 0.694   17.315  20.933  1   39.289  ? 69  SER   A H    1 c 1 
ATOM   791  H HA   . SER   A 1 57  ? -0.38   18.054  23.383  1   37.726  ? 69  SER   A HA   1 c 1 
ATOM   792  H HB2  . SER   A 1 57  ? 1.646   17.583  24.213  1   41.121  ? 69  SER   A HB2  1 c 1 
ATOM   793  H HB3  . SER   A 1 57  ? 2.399   18.102  22.928  1   43.329  ? 69  SER   A HB3  1 c 1 
ATOM   794  H HG   . SER   A 1 57  ? 2.576   19.461  24.642  0   30      ? 69  SER   A HG   1 c 1 
ATOM   795  N N    . SER   A 1 58  ? -0.627  20.41   22.711  1   38.733  ? 70  SER   A N    1 ? 1 
ATOM   796  C CA   . SER   A 1 58  ? -0.903  21.735  22.16   1   44.826  ? 70  SER   A CA   1 ? 1 
ATOM   797  C C    . SER   A 1 58  ? 0.385   22.517  21.907  1   49.921  ? 70  SER   A C    1 ? 1 
ATOM   798  O O    . SER   A 1 58  ? 0.498   23.242  20.908  1   55.717  ? 70  SER   A O    1 ? 1 
ATOM   799  C CB   . SER   A 1 58  ? -1.899  22.458  23.028  1   41.317  ? 70  SER   A CB   1 ? 1 
ATOM   800  O OG   . SER   A 1 58  ? -1.454  22.602  24.361  1   38      ? 70  SER   A OG   1 ? 1 
ATOM   801  H H    . SER   A 1 58  ? -0.95   20.195  23.539  1   39.024  ? 70  SER   A H    1 c 1 
ATOM   802  H HA   . SER   A 1 58  ? -1.333  21.595  21.277  1   43.711  ? 70  SER   A HA   1 c 1 
ATOM   803  H HB2  . SER   A 1 58  ? -2.067  23.342  22.65   1   42.264  ? 70  SER   A HB2  1 c 1 
ATOM   804  H HB3  . SER   A 1 58  ? -2.741  21.967  23.023  1   39.59   ? 70  SER   A HB3  1 c 1 
ATOM   805  H HG   . SER   A 1 58  ? -1.964  23.076  24.827  0   30      ? 70  SER   A HG   1 c 1 
ATOM   806  N N    . HIS   A 1 59  ? 1.393   22.287  22.756  1   48.914  ? 71  HIS   A N    1 ? 1 
ATOM   807  C CA   . HIS   A 1 59  ? 2.72    22.888  22.611  1   52.946  ? 71  HIS   A CA   1 ? 1 
ATOM   808  C C    . HIS   A 1 59  ? 3.407   22.594  21.274  1   55.18   ? 71  HIS   A C    1 ? 1 
ATOM   809  O O    . HIS   A 1 59  ? 4.158   23.437  20.791  1   54.107  ? 71  HIS   A O    1 ? 1 
ATOM   810  C CB   . HIS   A 1 59  ? 3.588   22.48   23.798  1   54.541  ? 71  HIS   A CB   1 ? 1 
ATOM   811  C CG   . HIS   A 1 59  ? 2.909   22.831  25.077  1   55.418  ? 71  HIS   A CG   1 ? 1 
ATOM   812  N ND1  . HIS   A 1 59  ? 2.721   24.135  25.489  1   56.524  ? 71  HIS   A ND1  1 ? 1 
ATOM   813  C CD2  . HIS   A 1 59  ? 2.318   22.049  26.003  1   54.017  ? 71  HIS   A CD2  1 ? 1 
ATOM   814  C CE1  . HIS   A 1 59  ? 2.058   24.118  26.648  1   56.04   ? 71  HIS   A CE1  1 ? 1 
ATOM   815  N NE2  . HIS   A 1 59  ? 1.809   22.864  26.974  1   51.412  ? 71  HIS   A NE2  1 ? 1 
ATOM   816  H H    . HIS   A 1 59  ? 1.247   21.725  23.461  1   48.188  ? 71  HIS   A H    1 c 1 
ATOM   817  H HA   . HIS   A 1 59  ? 2.589   23.867  22.669  1   54.142  ? 71  HIS   A HA   1 c 1 
ATOM   818  H HB2  . HIS   A 1 59  ? 3.743   21.511  23.765  1   53.843  ? 71  HIS   A HB2  1 c 1 
ATOM   819  H HB3  . HIS   A 1 59  ? 4.449   22.95   23.744  1   56.874  ? 71  HIS   A HB3  1 c 1 
ATOM   820  H HD1  . HIS   A 1 59  ? 3.036   24.873  24.983  0   30      ? 71  HIS   A HD1  1 c 1 
ATOM   821  H HD2  . HIS   A 1 59  ? 2.275   21.114  26.003  1   52.071  ? 71  HIS   A HD2  1 c 1 
ATOM   822  H HE1  . HIS   A 1 59  ? 1.815   24.878  27.15   1   55.752  ? 71  HIS   A HE1  1 c 1 
ATOM   823  H HE2  . HIS   A 1 59  ? 1.449   22.695  27.686  0   30      ? 71  HIS   A HE2  1 c 1 
ATOM   824  N N    . ASP   A 1 60  ? 3.124   21.436  20.645  1   58.61   ? 72  ASP   A N    1 ? 1 
ATOM   825  C CA   . ASP   A 1 60  ? 3.608   21.159  19.29   1   64.119  ? 72  ASP   A CA   1 ? 1 
ATOM   826  C C    . ASP   A 1 60  ? 3.112   22.241  18.318  1   64.229  ? 72  ASP   A C    1 ? 1 
ATOM   827  O O    . ASP   A 1 60  ? 3.822   22.549  17.379  1   66.986  ? 72  ASP   A O    1 ? 1 
ATOM   828  C CB   . ASP   A 1 60  ? 3.259   19.773  18.742  1   62.296  ? 72  ASP   A CB   1 ? 1 
ATOM   829  C CG   . ASP   A 1 60  ? 3.384   18.579  19.687  1   61.378  ? 72  ASP   A CG   1 ? 1 
ATOM   830  O OD1  . ASP   A 1 60  ? 4.369   18.558  20.46   1   60.312  ? 72  ASP   A OD1  1 ? 1 
ATOM   831  O OD2  . ASP   A 1 60  ? 2.487   17.672  19.642  1   50.657  ? 72  ASP   A OD2  1 ? 1 
ATOM   832  H H    . ASP   A 1 60  ? 2.616   20.806  21.07   1   56.183  ? 72  ASP   A H    1 c 1 
ATOM   833  H HA   . ASP   A 1 60  ? 4.591   21.203  19.312  1   64.802  ? 72  ASP   A HA   1 c 1 
ATOM   834  H HB2  . ASP   A 1 60  ? 2.333   19.796  18.419  1   61.322  ? 72  ASP   A HB2  1 c 1 
ATOM   835  H HB3  . ASP   A 1 60  ? 3.835   19.599  17.968  1   64.176  ? 72  ASP   A HB3  1 c 1 
ATOM   836  N N    . ARG   A 1 61  ? 1.899   22.796  18.527  1   68.313  ? 73  ARG   A N    1 ? 1 
ATOM   837  C CA   . ARG   A 1 61  ? 1.365   23.879  17.698  1   72.243  ? 73  ARG   A CA   1 ? 1 
ATOM   838  C C    . ARG   A 1 61  ? 1.769   25.254  18.254  1   71.751  ? 73  ARG   A C    1 ? 1 
ATOM   839  O O    . ARG   A 1 61  ? 1.479   26.281  17.632  1   72.742  ? 73  ARG   A O    1 ? 1 
ATOM   840  C CB   . ARG   A 1 61  ? -0.161  23.804  17.534  1   68.295  ? 73  ARG   A CB   1 ? 1 
ATOM   841  H H    . ARG   A 1 61  ? 1.381   22.477  19.209  1   65.277  ? 73  ARG   A H    1 c 1 
ATOM   842  H HA   . ARG   A 1 61  ? 1.76    23.791  16.793  1   72.447  ? 73  ARG   A HA   1 c 1 
ATOM   843  H HB2  . ARG   A 1 61  ? -0.281  23.7    16.463  0   30      ? 73  ARG   A HB2  1 c 1 
ATOM   844  H HB3  . ARG   A 1 61  ? -0.592  23.999  18.271  0   30      ? 73  ARG   A HB3  1 c 1 
ATOM   845  N N    . ASN   A 1 62  ? 2.417   25.284  19.431  1   66.889  ? 74  ASN   A N    1 ? 1 
ATOM   846  C CA   . ASN   A 1 62  ? 2.928   26.524  20.004  1   67.504  ? 74  ASN   A CA   1 ? 1 
ATOM   847  C C    . ASN   A 1 62  ? 1.801   27.565  20.117  1   69.553  ? 74  ASN   A C    1 ? 1 
ATOM   848  O O    . ASN   A 1 62  ? 1.993   28.727  19.781  1   71.493  ? 74  ASN   A O    1 ? 1 
ATOM   849  C CB   . ASN   A 1 62  ? 4.098   27.063  19.179  1   69.948  ? 74  ASN   A CB   1 ? 1 
ATOM   850  H H    . ASN   A 1 62  ? 2.532   24.509  19.899  1   66.067  ? 74  ASN   A H    1 c 1 
ATOM   851  H HA   . ASN   A 1 62  ? 3.266   26.33   20.908  1   67.334  ? 74  ASN   A HA   1 c 1 
ATOM   852  H HB2  . ASN   A 1 62  ? 4.938   26.777  19.618  0   30      ? 74  ASN   A HB2  1 c 1 
ATOM   853  H HB3  . ASN   A 1 62  ? 3.728   27.57   18.469  0   30      ? 74  ASN   A HB3  1 c 1 
ATOM   854  N N    . GLU   A 1 63  ? 0.601   27.139  20.546  1   70.55   ? 75  GLU   A N    1 ? 1 
ATOM   855  C CA   . GLU   A 1 63  ? -0.517  28.055  20.808  1   72.014  ? 75  GLU   A CA   1 ? 1 
ATOM   856  C C    . GLU   A 1 63  ? -1.632  27.313  21.565  1   64.143  ? 75  GLU   A C    1 ? 1 
ATOM   857  O O    . GLU   A 1 63  ? -1.752  26.096  21.433  1   59.229  ? 75  GLU   A O    1 ? 1 
ATOM   858  C CB   . GLU   A 1 63  ? -1.07   28.702  19.531  1   68.234  ? 75  GLU   A CB   1 ? 1 
ATOM   859  H H    . GLU   A 1 63  ? 0.473   26.245  20.685  1   67.978  ? 75  GLU   A H    1 c 1 
ATOM   860  H HA   . GLU   A 1 63  ? -0.178  28.78   21.389  1   71.042  ? 75  GLU   A HA   1 c 1 
ATOM   861  H HB2  . GLU   A 1 63  ? -0.321  28.816  18.958  0   30      ? 75  GLU   A HB2  1 c 1 
ATOM   862  H HB3  . GLU   A 1 63  ? -2.049  28.545  19.582  0   30      ? 75  GLU   A HB3  1 c 1 
ATOM   863  N N    . PRO   A 1 64  ? -2.456  27.991  22.406  1   60.461  ? 76  PRO   A N    1 ? 1 
ATOM   864  C CA   . PRO   A 1 64  ? -3.579  27.324  23.067  1   53.813  ? 76  PRO   A CA   1 ? 1 
ATOM   865  C C    . PRO   A 1 64  ? -4.505  26.659  22.066  1   49.957  ? 76  PRO   A C    1 ? 1 
ATOM   866  O O    . PRO   A 1 64  ? -4.688  27.192  20.971  1   50.632  ? 76  PRO   A O    1 ? 1 
ATOM   867  C CB   . PRO   A 1 64  ? -4.31   28.452  23.802  1   55.878  ? 76  PRO   A CB   1 ? 1 
ATOM   868  C CG   . PRO   A 1 64  ? -3.282  29.548  23.933  1   63.693  ? 76  PRO   A CG   1 ? 1 
ATOM   869  C CD   . PRO   A 1 64  ? -2.347  29.407  22.77   1   67.984  ? 76  PRO   A CD   1 ? 1 
ATOM   870  H HA   . PRO   A 1 64  ? -3.242  26.662  23.707  1   52.977  ? 76  PRO   A HA   1 c 1 
ATOM   871  H HB2  . PRO   A 1 64  ? -5.085  28.758  23.292  1   57.057  ? 76  PRO   A HB2  1 c 1 
ATOM   872  H HB3  . PRO   A 1 64  ? -4.613  28.154  24.682  1   55.396  ? 76  PRO   A HB3  1 c 1 
ATOM   873  H HG2  . PRO   A 1 64  ? -3.714  30.426  23.914  1   64.503  ? 76  PRO   A HG2  1 c 1 
ATOM   874  H HG3  . PRO   A 1 64  ? -2.792  29.461  24.774  1   62.952  ? 76  PRO   A HG3  1 c 1 
ATOM   875  H HD2  . PRO   A 1 64  ? -2.613  29.978  22.026  1   67.703  ? 76  PRO   A HD2  1 c 1 
ATOM   876  H HD3  . PRO   A 1 64  ? -1.431  29.626  23.03   1   67.452  ? 76  PRO   A HD3  1 c 1 
ATOM   877  N N    . PHE   A 1 65  ? -5.127  25.539  22.487  1   46.579  ? 77  PHE   A N    1 ? 1 
ATOM   878  C CA   . PHE   A 1 65  ? -6.149  24.869  21.708  1   43.415  ? 77  PHE   A CA   1 ? 1 
ATOM   879  C C    . PHE   A 1 65  ? -7.486  25.461  22.125  1   43.859  ? 77  PHE   A C    1 ? 1 
ATOM   880  O O    . PHE   A 1 65  ? -7.732  25.652  23.314  1   42.434  ? 77  PHE   A O    1 ? 1 
ATOM   881  C CB   . PHE   A 1 65  ? -6.004  23.357  21.914  1   41.207  ? 77  PHE   A CB   1 ? 1 
ATOM   882  C CG   . PHE   A 1 65  ? -7.066  22.525  21.218  1   39.532  ? 77  PHE   A CG   1 ? 1 
ATOM   883  C CD1  . PHE   A 1 65  ? -6.939  22.126  19.896  1   44.055  ? 77  PHE   A CD1  1 ? 1 
ATOM   884  C CD2  . PHE   A 1 65  ? -8.2    22.099  21.926  1   35.822  ? 77  PHE   A CD2  1 ? 1 
ATOM   885  C CE1  . PHE   A 1 65  ? -7.93   21.348  19.288  1   44.387  ? 77  PHE   A CE1  1 ? 1 
ATOM   886  C CE2  . PHE   A 1 65  ? -9.198  21.344  21.305  1   38.544  ? 77  PHE   A CE2  1 ? 1 
ATOM   887  C CZ   . PHE   A 1 65  ? -9.047  20.944  20.004  1   42.202  ? 77  PHE   A CZ   1 ? 1 
ATOM   888  H H    . PHE   A 1 65  ? -4.898  25.186  23.299  1   45.42   ? 77  PHE   A H    1 c 1 
ATOM   889  H HA   . PHE   A 1 65  ? -5.996  25.071  20.746  1   45.132  ? 77  PHE   A HA   1 c 1 
ATOM   890  H HB2  . PHE   A 1 65  ? -5.12   23.081  21.585  1   41.574  ? 77  PHE   A HB2  1 c 1 
ATOM   891  H HB3  . PHE   A 1 65  ? -6.037  23.169  22.879  1   40.183  ? 77  PHE   A HB3  1 c 1 
ATOM   892  H HD1  . PHE   A 1 65  ? -6.178  22.386  19.403  1   44.542  ? 77  PHE   A HD1  1 c 1 
ATOM   893  H HD2  . PHE   A 1 65  ? -8.309  22.364  22.825  1   36.904  ? 77  PHE   A HD2  1 c 1 
ATOM   894  H HE1  . PHE   A 1 65  ? -7.831  21.088  18.386  1   44.447  ? 77  PHE   A HE1  1 c 1 
ATOM   895  H HE2  . PHE   A 1 65  ? -9.954  21.067  21.798  1   37.58   ? 77  PHE   A HE2  1 c 1 
ATOM   896  H HZ   . PHE   A 1 65  ? -9.718  20.43   19.585  1   41.167  ? 77  PHE   A HZ   1 c 1 
ATOM   897  N N    . VAL   A 1 66  ? -8.329  25.781  21.124  1   48.524  ? 78  VAL   A N    1 ? 1 
ATOM   898  C CA   . VAL   A 1 66  ? -9.586  26.485  21.354  1   47.867  ? 78  VAL   A CA   1 ? 1 
ATOM   899  C C    . VAL   A 1 66  ? -10.7   25.654  20.744  1   42.867  ? 78  VAL   A C    1 ? 1 
ATOM   900  O O    . VAL   A 1 66  ? -10.511 25.113  19.675  1   49.96   ? 78  VAL   A O    1 ? 1 
ATOM   901  C CB   . VAL   A 1 66  ? -9.607  27.917  20.801  1   47.394  ? 78  VAL   A CB   1 ? 1 
ATOM   902  C CG1  . VAL   A 1 66  ? -10.98  28.551  20.923  1   50.599  ? 78  VAL   A CG1  1 ? 1 
ATOM   903  C CG2  . VAL   A 1 66  ? -8.566  28.783  21.497  1   50.833  ? 78  VAL   A CG2  1 ? 1 
ATOM   904  H H    . VAL   A 1 66  ? -8.112  25.548  20.267  1   47.681  ? 78  VAL   A H    1 c 1 
ATOM   905  H HA   . VAL   A 1 66  ? -9.733  26.532  22.315  1   45.931  ? 78  VAL   A HA   1 c 1 
ATOM   906  H HB   . VAL   A 1 66  ? -9.376  27.867  19.844  1   49.668  ? 78  VAL   A HB   1 c 1 
ATOM   907  H HG11 . VAL   A 1 66  ? -11.299 28.462  21.837  1   48.945  ? 78  VAL   A HG11 1 c 1 
ATOM   908  H HG12 . VAL   A 1 66  ? -11.6   28.108  20.32   1   49.543  ? 78  VAL   A HG12 1 c 1 
ATOM   909  H HG13 . VAL   A 1 66  ? -10.924 29.493  20.692  1   51.905  ? 78  VAL   A HG13 1 c 1 
ATOM   910  H HG21 . VAL   A 1 66  ? -8.666  29.707  21.211  1   52.212  ? 78  VAL   A HG21 1 c 1 
ATOM   911  H HG22 . VAL   A 1 66  ? -7.676  28.469  21.267  1   50.165  ? 78  VAL   A HG22 1 c 1 
ATOM   912  H HG23 . VAL   A 1 66  ? -8.689  28.726  22.459  1   49.321  ? 78  VAL   A HG23 1 c 1 
ATOM   913  N N    . PHE   A 1 67  ? -11.818 25.504  21.463  1   43.19   ? 79  PHE   A N    1 ? 1 
ATOM   914  C CA   . PHE   A 1 67  ? -12.992 24.799  20.945  1   38.607  ? 79  PHE   A CA   1 ? 1 
ATOM   915  C C    . PHE   A 1 67  ? -14.244 25.286  21.698  1   41.569  ? 79  PHE   A C    1 ? 1 
ATOM   916  O O    . PHE   A 1 67  ? -14.135 26.014  22.687  1   39.864  ? 79  PHE   A O    1 ? 1 
ATOM   917  C CB   . PHE   A 1 67  ? -12.783 23.282  21.065  1   37.238  ? 79  PHE   A CB   1 ? 1 
ATOM   918  C CG   . PHE   A 1 67  ? -12.936 22.738  22.479  1   33.584  ? 79  PHE   A CG   1 ? 1 
ATOM   919  C CD1  . PHE   A 1 67  ? -11.914 22.891  23.412  1   34.722  ? 79  PHE   A CD1  1 ? 1 
ATOM   920  C CD2  . PHE   A 1 67  ? -14.104 22.096  22.894  1   35.422  ? 79  PHE   A CD2  1 ? 1 
ATOM   921  C CE1  . PHE   A 1 67  ? -12.02  22.376  24.686  1   30.762  ? 79  PHE   A CE1  1 ? 1 
ATOM   922  C CE2  . PHE   A 1 67  ? -14.239 21.642  24.189  1   33.711  ? 79  PHE   A CE2  1 ? 1 
ATOM   923  C CZ   . PHE   A 1 67  ? -13.179 21.743  25.085  1   31.781  ? 79  PHE   A CZ   1 ? 1 
ATOM   924  H H    . PHE   A 1 67  ? -11.853 25.852  22.307  1   41.942  ? 79  PHE   A H    1 c 1 
ATOM   925  H HA   . PHE   A 1 67  ? -13.096 25.026  19.983  1   41.165  ? 79  PHE   A HA   1 c 1 
ATOM   926  H HB2  . PHE   A 1 67  ? -13.43  22.83   20.481  1   36.556  ? 79  PHE   A HB2  1 c 1 
ATOM   927  H HB3  . PHE   A 1 67  ? -11.882 23.063  20.738  1   36.508  ? 79  PHE   A HB3  1 c 1 
ATOM   928  H HD1  . PHE   A 1 67  ? -11.105 23.298  23.144  1   34.369  ? 79  PHE   A HD1  1 c 1 
ATOM   929  H HD2  . PHE   A 1 67  ? -14.824 22.006  22.29   1   35.125  ? 79  PHE   A HD2  1 c 1 
ATOM   930  H HE1  . PHE   A 1 67  ? -11.308 22.485  25.297  1   31.694  ? 79  PHE   A HE1  1 c 1 
ATOM   931  H HE2  . PHE   A 1 67  ? -15.028 21.193  24.446  1   33.177  ? 79  PHE   A HE2  1 c 1 
ATOM   932  H HZ   . PHE   A 1 67  ? -13.27  21.425  25.969  1   31.111  ? 79  PHE   A HZ   1 c 1 
ATOM   933  N N    . SER   A 1 68  ? -15.426 24.982  21.148  1   42.601  ? 80  SER   A N    1 ? 1 
ATOM   934  C CA   . SER   A 1 68  ? -16.698 25.396  21.725  1   42.081  ? 80  SER   A CA   1 ? 1 
ATOM   935  C C    . SER   A 1 68  ? -17.231 24.22   22.523  1   38.976  ? 80  SER   A C    1 ? 1 
ATOM   936  O O    . SER   A 1 68  ? -17.41  23.128  21.977  1   38.135  ? 80  SER   A O    1 ? 1 
ATOM   937  C CB   . SER   A 1 68  ? -17.686 25.836  20.679  1   46.575  ? 80  SER   A CB   1 ? 1 
ATOM   938  O OG   . SER   A 1 68  ? -17.225 27.002  20.02   1   54.595  ? 80  SER   A OG   1 ? 1 
ATOM   939  H H    . SER   A 1 68  ? -15.438 24.494  20.375  1   42.018  ? 80  SER   A H    1 c 1 
ATOM   940  H HA   . SER   A 1 68  ? -16.534 26.152  22.343  1   43.118  ? 80  SER   A HA   1 c 1 
ATOM   941  H HB2  . SER   A 1 68  ? -17.808 25.119  20.027  1   46.789  ? 80  SER   A HB2  1 c 1 
ATOM   942  H HB3  . SER   A 1 68  ? -18.546 26.018  21.101  1   47.849  ? 80  SER   A HB3  1 c 1 
ATOM   943  H HG   . SER   A 1 68  ? -17.835 27.125  19.371  0   30      ? 80  SER   A HG   1 c 1 
ATOM   944  N N    . LEU   A 1 69  ? -17.426 24.427  23.825  1   36.264  ? 81  LEU   A N    1 ? 1 
ATOM   945  C CA   . LEU   A 1 69  ? -17.758 23.336  24.723  1   33.419  ? 81  LEU   A CA   1 ? 1 
ATOM   946  C C    . LEU   A 1 69  ? -19.135 22.776  24.387  1   35.419  ? 81  LEU   A C    1 ? 1 
ATOM   947  O O    . LEU   A 1 69  ? -20.102 23.506  24.189  1   37.972  ? 81  LEU   A O    1 ? 1 
ATOM   948  C CB   . LEU   A 1 69  ? -17.758 23.873  26.149  1   35.378  ? 81  LEU   A CB   1 ? 1 
ATOM   949  C CG   . LEU   A 1 69  ? -17.986 22.837  27.242  1   35.869  ? 81  LEU   A CG   1 ? 1 
ATOM   950  C CD1  . LEU   A 1 69  ? -16.839 21.872  27.353  1   32.505  ? 81  LEU   A CD1  1 ? 1 
ATOM   951  C CD2  . LEU   A 1 69  ? -18.208 23.573  28.537  1   41.405  ? 81  LEU   A CD2  1 ? 1 
ATOM   952  H H    . LEU   A 1 69  ? -17.354 25.273  24.164  1   37.582  ? 81  LEU   A H    1 c 1 
ATOM   953  H HA   . LEU   A 1 69  ? -17.073 22.627  24.631  1   33.005  ? 81  LEU   A HA   1 c 1 
ATOM   954  H HB2  . LEU   A 1 69  ? -16.89  24.311  26.312  1   35.324  ? 81  LEU   A HB2  1 c 1 
ATOM   955  H HB3  . LEU   A 1 69  ? -18.459 24.56   26.218  1   36.864  ? 81  LEU   A HB3  1 c 1 
ATOM   956  H HG   . LEU   A 1 69  ? -18.808 22.326  27.027  1   36.125  ? 81  LEU   A HG   1 c 1 
ATOM   957  H HD11 . LEU   A 1 69  ? -16.766 21.356  26.533  1   32.439  ? 81  LEU   A HD11 1 c 1 
ATOM   958  H HD12 . LEU   A 1 69  ? -16.991 21.27   28.1    1   32.353  ? 81  LEU   A HD12 1 c 1 
ATOM   959  H HD13 . LEU   A 1 69  ? -16.013 22.365  27.498  1   32.967  ? 81  LEU   A HD13 1 c 1 
ATOM   960  H HD21 . LEU   A 1 69  ? -18.979 24.155  28.453  1   41.219  ? 81  LEU   A HD21 1 c 1 
ATOM   961  H HD22 . LEU   A 1 69  ? -17.422 24.103  28.746  1   40.007  ? 81  LEU   A HD22 1 c 1 
ATOM   962  H HD23 . LEU   A 1 69  ? -18.364 22.932  29.252  1   39.308  ? 81  LEU   A HD23 1 c 1 
ATOM   963  N N    . GLY   A 1 70  ? -19.163 21.443  24.323  1   37.729  ? 82  GLY   A N    1 ? 1 
ATOM   964  C CA   . GLY   A 1 70  ? -20.38  20.666  24.204  1   38.769  ? 82  GLY   A CA   1 ? 1 
ATOM   965  C C    . GLY   A 1 70  ? -20.906 20.592  22.769  1   41.806  ? 82  GLY   A C    1 ? 1 
ATOM   966  O O    . GLY   A 1 70  ? -22.027 20.133  22.591  1   48.223  ? 82  GLY   A O    1 ? 1 
ATOM   967  H H    . GLY   A 1 70  ? -18.369 20.992  24.355  1   35.68   ? 82  GLY   A H    1 c 1 
ATOM   968  H HA2  . GLY   A 1 70  ? -20.21  19.754  24.536  1   37.869  ? 82  GLY   A HA2  1 c 1 
ATOM   969  H HA3  . GLY   A 1 70  ? -21.071 21.069  24.781  1   39.968  ? 82  GLY   A HA3  1 c 1 
ATOM   970  N N    . LYS   A 1 71  ? -20.117 21.005  21.767  1   41.428  ? 83  LYS   A N    1 ? 1 
ATOM   971  C CA   . LYS   A 1 71  ? -20.559 21.014  20.376  1   43.939  ? 83  LYS   A CA   1 ? 1 
ATOM   972  C C    . LYS   A 1 71  ? -20.044 19.764  19.649  1   45.271  ? 83  LYS   A C    1 ? 1 
ATOM   973  O O    . LYS   A 1 71  ? -20.268 19.61   18.473  1   48.109  ? 83  LYS   A O    1 ? 1 
ATOM   974  C CB   . LYS   A 1 71  ? -20.126 22.267  19.614  1   44.083  ? 83  LYS   A CB   1 ? 1 
ATOM   975  H H    . LYS   A 1 71  ? -19.265 21.278  21.954  1   41.117  ? 83  LYS   A H    1 c 1 
ATOM   976  H HA   . LYS   A 1 71  ? -21.55  20.987  20.368  1   44.966  ? 83  LYS   A HA   1 c 1 
ATOM   977  H HB2  . LYS   A 1 71  ? -19.092 22.253  19.669  0   30      ? 83  LYS   A HB2  1 c 1 
ATOM   978  H HB3  . LYS   A 1 71  ? -20.859 22.755  19.382  0   30      ? 83  LYS   A HB3  1 c 1 
ATOM   979  N N    . GLY   A 1 72  ? -19.373 18.837  20.329  1   44.162  ? 84  GLY   A N    1 ? 1 
ATOM   980  C CA   . GLY   A 1 72  ? -18.881 17.632  19.669  1   44.473  ? 84  GLY   A CA   1 ? 1 
ATOM   981  C C    . GLY   A 1 72  ? -17.73  17.912  18.687  1   42.277  ? 84  GLY   A C    1 ? 1 
ATOM   982  O O    . GLY   A 1 72  ? -17.499 17.125  17.775  1   40.26   ? 84  GLY   A O    1 ? 1 
ATOM   983  H H    . GLY   A 1 72  ? -19.212 18.949  21.222  1   43.497  ? 84  GLY   A H    1 c 1 
ATOM   984  H HA2  . GLY   A 1 72  ? -18.572 16.999  20.357  1   42.523  ? 84  GLY   A HA2  1 c 1 
ATOM   985  H HA3  . GLY   A 1 72  ? -19.627 17.205  19.185  1   44.397  ? 84  GLY   A HA3  1 c 1 
ATOM   986  N N    . GLN   A 1 73  ? -16.987 19.01   18.878  1   40.345  ? 85  GLN   A N    1 ? 1 
ATOM   987  C CA   . GLN   A 1 73  ? -15.783 19.294  18.095  1   38.367  ? 85  GLN   A CA   1 ? 1 
ATOM   988  C C    . GLN   A 1 73  ? -14.624 18.447  18.633  1   36.391  ? 85  GLN   A C    1 ? 1 
ATOM   989  O O    . GLN   A 1 73  ? -13.589 18.317  17.985  1   35.752  ? 85  GLN   A O    1 ? 1 
ATOM   990  C CB   . GLN   A 1 73  ? -15.341 20.75   18.181  1   40.789  ? 85  GLN   A CB   1 ? 1 
ATOM   991  C CG   . GLN   A 1 73  ? -16.414 21.729  17.737  1   44.314  ? 85  GLN   A CG   1 ? 1 
ATOM   992  C CD   . GLN   A 1 73  ? -16.049 23.178  17.971  1   44.455  ? 85  GLN   A CD   1 ? 1 
ATOM   993  O OE1  . GLN   A 1 73  ? -15.117 23.513  18.682  1   40.805  ? 85  GLN   A OE1  1 ? 1 
ATOM   994  N NE2  . GLN   A 1 73  ? -16.808 24.081  17.373  1   49.633  ? 85  GLN   A NE2  1 ? 1 
ATOM   995  H H    . GLN   A 1 73  ? -17.23  19.603  19.53   1   40.464  ? 85  GLN   A H    1 c 1 
ATOM   996  H HA   . GLN   A 1 73  ? -15.952 19.053  17.149  1   39.808  ? 85  GLN   A HA   1 c 1 
ATOM   997  H HB2  . GLN   A 1 73  ? -15.089 20.949  19.107  1   40.051  ? 85  GLN   A HB2  1 c 1 
ATOM   998  H HB3  . GLN   A 1 73  ? -14.546 20.872  17.621  1   41.218  ? 85  GLN   A HB3  1 c 1 
ATOM   999  H HG2  . GLN   A 1 73  ? -16.59  21.601  16.781  1   44.658  ? 85  GLN   A HG2  1 c 1 
ATOM   1000 H HG3  . GLN   A 1 73  ? -17.246 21.537  18.22   1   43.463  ? 85  GLN   A HG3  1 c 1 
ATOM   1001 H HE21 . GLN   A 1 73  ? -16.622 24.944  17.461  1   49.77   ? 85  GLN   A HE21 1 c 1 
ATOM   1002 H HE22 . GLN   A 1 73  ? -17.502 23.824  16.883  1   49.304  ? 85  GLN   A HE22 1 c 1 
ATOM   1003 N N    . VAL   A 1 74  ? -14.8   17.896  19.842  1   29.823  ? 86  VAL   A N    1 ? 1 
ATOM   1004 C CA   . VAL   A 1 74  ? -13.845 17.047  20.501  1   27.737  ? 86  VAL   A CA   1 ? 1 
ATOM   1005 C C    . VAL   A 1 74  ? -14.573 15.796  20.969  1   28.218  ? 86  VAL   A C    1 ? 1 
ATOM   1006 O O    . VAL   A 1 74  ? -15.818 15.759  20.943  1   30.468  ? 86  VAL   A O    1 ? 1 
ATOM   1007 C CB   . VAL   A 1 74  ? -13.187 17.867  21.631  1   26.542  ? 86  VAL   A CB   1 ? 1 
ATOM   1008 C CG1  . VAL   A 1 74  ? -12.374 19.048  21.101  1   27.679  ? 86  VAL   A CG1  1 ? 1 
ATOM   1009 C CG2  . VAL   A 1 74  ? -14.211 18.342  22.667  1   25.946  ? 86  VAL   A CG2  1 ? 1 
ATOM   1010 H H    . VAL   A 1 74  ? -15.578 18.076  20.284  1   31.039  ? 86  VAL   A H    1 c 1 
ATOM   1011 H HA   . VAL   A 1 74  ? -13.158 16.789  19.859  1   28.131  ? 86  VAL   A HA   1 c 1 
ATOM   1012 H HB   . VAL   A 1 74  ? -12.56  17.263  22.094  1   25.755  ? 86  VAL   A HB   1 c 1 
ATOM   1013 H HG11 . VAL   A 1 74  ? -12.962 19.671  20.643  1   28.713  ? 86  VAL   A HG11 1 c 1 
ATOM   1014 H HG12 . VAL   A 1 74  ? -11.699 18.725  20.48   1   27.826  ? 86  VAL   A HG12 1 c 1 
ATOM   1015 H HG13 . VAL   A 1 74  ? -11.939 19.501  21.843  1   27.596  ? 86  VAL   A HG13 1 c 1 
ATOM   1016 H HG21 . VAL   A 1 74  ? -13.755 18.836  23.368  1   26.077  ? 86  VAL   A HG21 1 c 1 
ATOM   1017 H HG22 . VAL   A 1 74  ? -14.664 17.575  23.055  1   25.55   ? 86  VAL   A HG22 1 c 1 
ATOM   1018 H HG23 . VAL   A 1 74  ? -14.864 18.921  22.239  1   27.11   ? 86  VAL   A HG23 1 c 1 
ATOM   1019 N N    . ILE   A 1 75  ? -13.808 14.82   21.461  1   25.678  ? 87  ILE   A N    1 ? 1 
ATOM   1020 C CA   . ILE   A 1 75  ? -14.367 13.581  21.969  1   24.396  ? 87  ILE   A CA   1 ? 1 
ATOM   1021 C C    . ILE   A 1 75  ? -15.275 13.882  23.166  1   22.943  ? 87  ILE   A C    1 ? 1 
ATOM   1022 O O    . ILE   A 1 75  ? -15.106 14.924  23.875  1   26.147  ? 87  ILE   A O    1 ? 1 
ATOM   1023 C CB   . ILE   A 1 75  ? -13.264 12.558  22.311  1   25.22   ? 87  ILE   A CB   1 ? 1 
ATOM   1024 C CG1  . ILE   A 1 75  ? -12.241 13.12   23.25   1   22.865  ? 87  ILE   A CG1  1 ? 1 
ATOM   1025 C CG2  . ILE   A 1 75  ? -12.651 11.979  21.032  1   25.833  ? 87  ILE   A CG2  1 ? 1 
ATOM   1026 C CD1  . ILE   A 1 75  ? -11.237 12.116  23.714  1   25.331  ? 87  ILE   A CD1  1 ? 1 
ATOM   1027 H H    . ILE   A 1 75  ? -12.901 14.93   21.464  1   25.7    ? 87  ILE   A H    1 c 1 
ATOM   1028 H HA   . ILE   A 1 75  ? -14.921 13.195  21.262  1   25.055  ? 87  ILE   A HA   1 c 1 
ATOM   1029 H HB   . ILE   A 1 75  ? -13.701 11.82   22.779  1   24.357  ? 87  ILE   A HB   1 c 1 
ATOM   1030 H HG12 . ILE   A 1 75  ? -11.767 13.85   22.804  1   24.294  ? 87  ILE   A HG12 1 c 1 
ATOM   1031 H HG13 . ILE   A 1 75  ? -12.698 13.492  24.031  1   23.811  ? 87  ILE   A HG13 1 c 1 
ATOM   1032 H HG21 . ILE   A 1 75  ? -12.039 11.258  21.258  1   25.501  ? 87  ILE   A HG21 1 c 1 
ATOM   1033 H HG22 . ILE   A 1 75  ? -12.167 12.676  20.558  1   26.158  ? 87  ILE   A HG22 1 c 1 
ATOM   1034 H HG23 . ILE   A 1 75  ? -13.357 11.632  20.461  1   26.21   ? 87  ILE   A HG23 1 c 1 
ATOM   1035 H HD11 . ILE   A 1 75  ? -11.7   11.346  24.097  1   24.247  ? 87  ILE   A HD11 1 c 1 
ATOM   1036 H HD12 . ILE   A 1 75  ? -10.667 12.521  24.395  1   24.289  ? 87  ILE   A HD12 1 c 1 
ATOM   1037 H HD13 . ILE   A 1 75  ? -10.685 11.822  22.966  1   24.687  ? 87  ILE   A HD13 1 c 1 
ATOM   1038 N N    . LYS   A 1 76  ? -16.149 12.918  23.459  1   25.196  ? 88  LYS   A N    1 ? 1 
ATOM   1039 C CA   . LYS   A 1 76  ? -17.145 13.102  24.504  1   25.062  ? 88  LYS   A CA   1 ? 1 
ATOM   1040 C C    . LYS   A 1 76  ? -16.455 13.42   25.816  1   25.402  ? 88  LYS   A C    1 ? 1 
ATOM   1041 O O    . LYS   A 1 76  ? -16.945 14.264  26.586  1   27.258  ? 88  LYS   A O    1 ? 1 
ATOM   1042 C CB   . LYS   A 1 76  ? -18.092 11.877  24.473  1   27.854  ? 88  LYS   A CB   1 ? 1 
ATOM   1043 H H    . LYS   A 1 76  ? -16.122 12.126  23.002  1   24.581  ? 88  LYS   A H    1 c 1 
ATOM   1044 H HA   . LYS   A 1 76  ? -17.691 13.892  24.257  1   26.473  ? 88  LYS   A HA   1 c 1 
ATOM   1045 H HB2  . LYS   A 1 76  ? -17.567 11.064  24.543  0   30      ? 88  LYS   A HB2  1 c 1 
ATOM   1046 H HB3  . LYS   A 1 76  ? -19.022 12.22   24.515  0   30      ? 88  LYS   A HB3  1 c 1 
ATOM   1047 N N    . ALA   A 1 77  ? -15.383 12.686  26.123  1   24.078  ? 89  ALA   A N    1 ? 1 
ATOM   1048 C CA   . ALA   A 1 77  ? -14.689 12.866  27.385  1   23.414  ? 89  ALA   A CA   1 ? 1 
ATOM   1049 C C    . ALA   A 1 77  ? -14.293 14.317  27.599  1   27.319  ? 89  ALA   A C    1 ? 1 
ATOM   1050 O O    . ALA   A 1 77  ? -14.312 14.79   28.758  1   22.864  ? 89  ALA   A O    1 ? 1 
ATOM   1051 C CB   . ALA   A 1 77  ? -13.533 11.97   27.555  1   21.778  ? 89  ALA   A CB   1 ? 1 
ATOM   1052 H H    . ALA   A 1 77  ? -15.078 12.055  25.536  1   23.975  ? 89  ALA   A H    1 c 1 
ATOM   1053 H HA   . ALA   A 1 77  ? -15.344 12.641  28.102  1   24.198  ? 89  ALA   A HA   1 c 1 
ATOM   1054 H HB1  . ALA   A 1 77  ? -13.83  11.045  27.533  1   22.213  ? 89  ALA   A HB1  1 c 1 
ATOM   1055 H HB2  . ALA   A 1 77  ? -12.897 12.12   26.836  1   21.993  ? 89  ALA   A HB2  1 c 1 
ATOM   1056 H HB3  . ALA   A 1 77  ? -13.103 12.15   28.407  1   22.128  ? 89  ALA   A HB3  1 c 1 
ATOM   1057 N N    . TRP   A 1 78  ? -13.885 15.015  26.519  1   23.954  ? 90  TRP   A N    1 ? 1 
ATOM   1058 C CA   . TRP   A 1 78  ? -13.477 16.411  26.673  1   26.942  ? 90  TRP   A CA   1 ? 1 
ATOM   1059 C C    . TRP   A 1 78  ? -14.635 17.348  26.993  1   28.673  ? 90  TRP   A C    1 ? 1 
ATOM   1060 O O    . TRP   A 1 78  ? -14.489 18.231  27.829  1   25.709  ? 90  TRP   A O    1 ? 1 
ATOM   1061 C CB   . TRP   A 1 78  ? -12.733 16.85   25.41   1   26.023  ? 90  TRP   A CB   1 ? 1 
ATOM   1062 C CG   . TRP   A 1 78  ? -11.244 16.641  25.47   1   22.93   ? 90  TRP   A CG   1 ? 1 
ATOM   1063 C CD1  . TRP   A 1 78  ? -10.518 15.544  25.802  1   22.328  ? 90  TRP   A CD1  1 ? 1 
ATOM   1064 C CD2  . TRP   A 1 78  ? -10.27  17.675  25.202  1   25.601  ? 90  TRP   A CD2  1 ? 1 
ATOM   1065 N NE1  . TRP   A 1 78  ? -9.164  15.791  25.739  1   23.066  ? 90  TRP   A NE1  1 ? 1 
ATOM   1066 C CE2  . TRP   A 1 78  ? -8.983  17.105  25.401  1   24.188  ? 90  TRP   A CE2  1 ? 1 
ATOM   1067 C CE3  . TRP   A 1 78  ? -10.355 19.025  24.853  1   28.603  ? 90  TRP   A CE3  1 ? 1 
ATOM   1068 C CZ2  . TRP   A 1 78  ? -7.795  17.841  25.252  1   26.293  ? 90  TRP   A CZ2  1 ? 1 
ATOM   1069 C CZ3  . TRP   A 1 78  ? -9.179  19.737  24.735  1   29.681  ? 90  TRP   A CZ3  1 ? 1 
ATOM   1070 C CH2  . TRP   A 1 78  ? -7.936  19.14   24.876  1   26.49   ? 90  TRP   A CH2  1 ? 1 
ATOM   1071 H H    . TRP   A 1 78  ? -13.856 14.622  25.695  1   25.214  ? 90  TRP   A H    1 c 1 
ATOM   1072 H HA   . TRP   A 1 78  ? -12.833 16.454  27.431  1   26.136  ? 90  TRP   A HA   1 c 1 
ATOM   1073 H HB2  . TRP   A 1 78  ? -13.093 16.357  24.643  1   25.591  ? 90  TRP   A HB2  1 c 1 
ATOM   1074 H HB3  . TRP   A 1 78  ? -12.911 17.803  25.26   1   26.289  ? 90  TRP   A HB3  1 c 1 
ATOM   1075 H HD1  . TRP   A 1 78  ? -10.892 14.702  26.011  1   22.043  ? 90  TRP   A HD1  1 c 1 
ATOM   1076 H HE1  . TRP   A 1 78  ? -8.538  15.223  25.921  1   22.956  ? 90  TRP   A HE1  1 c 1 
ATOM   1077 H HE3  . TRP   A 1 78  ? -11.191 19.442  24.733  1   28.488  ? 90  TRP   A HE3  1 c 1 
ATOM   1078 H HZ2  . TRP   A 1 78  ? -6.949  17.444  25.366  1   25.904  ? 90  TRP   A HZ2  1 c 1 
ATOM   1079 H HZ3  . TRP   A 1 78  ? -9.221  20.642  24.473  1   29.803  ? 90  TRP   A HZ3  1 c 1 
ATOM   1080 H HH2  . TRP   A 1 78  ? -7.164  19.67   24.781  1   28.233  ? 90  TRP   A HH2  1 c 1 
ATOM   1081 N N    . ASP   A 1 79  ? -15.756 17.206  26.273  1   27.059  ? 91  ASP   A N    1 ? 1 
ATOM   1082 C CA   . ASP   A 1 79  ? -16.948 17.989  26.5    1   26.591  ? 91  ASP   A CA   1 ? 1 
ATOM   1083 C C    . ASP   A 1 79  ? -17.432 17.771  27.936  1   28.515  ? 91  ASP   A C    1 ? 1 
ATOM   1084 O O    . ASP   A 1 79  ? -17.747 18.732  28.636  1   31.947  ? 91  ASP   A O    1 ? 1 
ATOM   1085 C CB   . ASP   A 1 79  ? -17.999 17.654  25.449  1   33.153  ? 91  ASP   A CB   1 ? 1 
ATOM   1086 C CG   . ASP   A 1 79  ? -17.887 18.396  24.114  1   32.207  ? 91  ASP   A CG   1 ? 1 
ATOM   1087 O OD1  . ASP   A 1 79  ? -17.221 19.467  24.033  1   31.924  ? 91  ASP   A OD1  1 ? 1 
ATOM   1088 O OD2  . ASP   A 1 79  ? -18.618 17.999  23.178  1   30.424  ? 91  ASP   A OD2  1 ? 1 
ATOM   1089 H H    . ASP   A 1 79  ? -15.766 16.585  25.602  1   26.955  ? 91  ASP   A H    1 c 1 
ATOM   1090 H HA   . ASP   A 1 79  ? -16.711 18.938  26.398  1   28.816  ? 91  ASP   A HA   1 c 1 
ATOM   1091 H HB2  . ASP   A 1 79  ? -17.968 16.692  25.264  1   30.676  ? 91  ASP   A HB2  1 c 1 
ATOM   1092 H HB3  . ASP   A 1 79  ? -18.882 17.853  25.824  1   32.045  ? 91  ASP   A HB3  1 c 1 
ATOM   1093 N N    . ILE   A 1 80  ? -17.417 16.516  28.424  1   29.647  ? 92  ILE   A N    1 ? 1 
ATOM   1094 C CA   . ILE   A 1 80  ? -17.815 16.229  29.812  1   30.202  ? 92  ILE   A CA   1 ? 1 
ATOM   1095 C C    . ILE   A 1 80  ? -16.76  16.736  30.811  1   30.91   ? 92  ILE   A C    1 ? 1 
ATOM   1096 O O    . ILE   A 1 80  ? -17.107 17.384  31.82   1   27.228  ? 92  ILE   A O    1 ? 1 
ATOM   1097 C CB   . ILE   A 1 80  ? -18.002 14.703  29.912  1   30.386  ? 92  ILE   A CB   1 ? 1 
ATOM   1098 C CG1  . ILE   A 1 80  ? -19.257 14.309  29.183  1   39.741  ? 92  ILE   A CG1  1 ? 1 
ATOM   1099 C CG2  . ILE   A 1 80  ? -17.992 14.185  31.337  1   40.95   ? 92  ILE   A CG2  1 ? 1 
ATOM   1100 C CD1  . ILE   A 1 80  ? -19.214 12.839  28.781  1   48.909  ? 92  ILE   A CD1  1 ? 1 
ATOM   1101 H H    . ILE   A 1 80  ? -17.16  15.825  27.884  1   28.749  ? 92  ILE   A H    1 c 1 
ATOM   1102 H HA   . ILE   A 1 80  ? -18.669 16.667  29.995  1   31.426  ? 92  ILE   A HA   1 c 1 
ATOM   1103 H HB   . ILE   A 1 80  ? -17.251 14.285  29.446  1   32.747  ? 92  ILE   A HB   1 c 1 
ATOM   1104 H HG12 . ILE   A 1 80  ? -20.03  14.464  29.763  1   40.278  ? 92  ILE   A HG12 1 c 1 
ATOM   1105 H HG13 . ILE   A 1 80  ? -19.357 14.861  28.381  1   39.382  ? 92  ILE   A HG13 1 c 1 
ATOM   1106 H HG21 . ILE   A 1 80  ? -18.215 13.24   31.344  1   37.608  ? 92  ILE   A HG21 1 c 1 
ATOM   1107 H HG22 . ILE   A 1 80  ? -18.646 14.673  31.866  1   38.389  ? 92  ILE   A HG22 1 c 1 
ATOM   1108 H HG23 . ILE   A 1 80  ? -17.109 14.308  31.724  1   36.878  ? 92  ILE   A HG23 1 c 1 
ATOM   1109 H HD11 . ILE   A 1 80  ? -18.423 12.672  28.234  1   44.897  ? 92  ILE   A HD11 1 c 1 
ATOM   1110 H HD12 . ILE   A 1 80  ? -20.014 12.623  28.265  1   46.47   ? 92  ILE   A HD12 1 c 1 
ATOM   1111 H HD13 . ILE   A 1 80  ? -19.182 12.276  29.577  1   45.821  ? 92  ILE   A HD13 1 c 1 
ATOM   1112 N N    . GLY   A 1 81  ? -15.487 16.463  30.505  1   24.422  ? 93  GLY   A N    1 ? 1 
ATOM   1113 C CA   . GLY   A 1 81  ? -14.361 16.726  31.386  1   26.653  ? 93  GLY   A CA   1 ? 1 
ATOM   1114 C C    . GLY   A 1 81  ? -14.071 18.226  31.589  1   26.342  ? 93  GLY   A C    1 ? 1 
ATOM   1115 O O    . GLY   A 1 81  ? -14.033 18.717  32.705  1   25.897  ? 93  GLY   A O    1 ? 1 
ATOM   1116 H H    . GLY   A 1 81  ? -15.311 16.083  29.693  1   25.756  ? 93  GLY   A H    1 c 1 
ATOM   1117 H HA2  . GLY   A 1 81  ? -14.543 16.314  32.26   1   26.049  ? 93  GLY   A HA2  1 c 1 
ATOM   1118 H HA3  . GLY   A 1 81  ? -13.56  16.29   31.012  1   25.223  ? 93  GLY   A HA3  1 c 1 
ATOM   1119 N N    . VAL   A 1 82  ? -13.957 18.995  30.494  1   24.551  ? 94  VAL   A N    1 ? 1 
ATOM   1120 C CA   . VAL   A 1 82  ? -13.658 20.404  30.598  1   27.596  ? 94  VAL   A CA   1 ? 1 
ATOM   1121 C C    . VAL   A 1 82  ? -14.823 21.177  31.226  1   28.484  ? 94  VAL   A C    1 ? 1 
ATOM   1122 O O    . VAL   A 1 82  ? -14.571 22.178  31.915  1   34.133  ? 94  VAL   A O    1 ? 1 
ATOM   1123 C CB   . VAL   A 1 82  ? -13.22  20.964  29.232  1   28.769  ? 94  VAL   A CB   1 ? 1 
ATOM   1124 C CG1  . VAL   A 1 82  ? -13.012 22.476  29.25   1   32.789  ? 94  VAL   A CG1  1 ? 1 
ATOM   1125 C CG2  . VAL   A 1 82  ? -11.969 20.287  28.758  1   27.764  ? 94  VAL   A CG2  1 ? 1 
ATOM   1126 H H    . VAL   A 1 82  ? -14.078 18.626  29.667  1   25.131  ? 94  VAL   A H    1 c 1 
ATOM   1127 H HA   . VAL   A 1 82  ? -12.895 20.492  31.202  1   27.323  ? 94  VAL   A HA   1 c 1 
ATOM   1128 H HB   . VAL   A 1 82  ? -13.94  20.762  28.589  1   28.957  ? 94  VAL   A HB   1 c 1 
ATOM   1129 H HG11 . VAL   A 1 82  ? -12.427 22.715  29.989  1   32.252  ? 94  VAL   A HG11 1 c 1 
ATOM   1130 H HG12 . VAL   A 1 82  ? -13.868 22.923  29.356  1   32.752  ? 94  VAL   A HG12 1 c 1 
ATOM   1131 H HG13 . VAL   A 1 82  ? -12.604 22.754  28.414  1   32.299  ? 94  VAL   A HG13 1 c 1 
ATOM   1132 H HG21 . VAL   A 1 82  ? -11.691 20.673  27.911  1   28.172  ? 94  VAL   A HG21 1 c 1 
ATOM   1133 H HG22 . VAL   A 1 82  ? -12.136 19.337  28.64   1   26.983  ? 94  VAL   A HG22 1 c 1 
ATOM   1134 H HG23 . VAL   A 1 82  ? -11.264 20.411  29.416  1   27.914  ? 94  VAL   A HG23 1 c 1 
ATOM   1135 N N    . ALA   A 1 83  ? -16.086 20.721  31.067  1   24.517  ? 95  ALA   A N    1 ? 1 
ATOM   1136 C CA   . ALA   A 1 83  ? -17.236 21.324  31.744  1   26.137  ? 95  ALA   A CA   1 ? 1 
ATOM   1137 C C    . ALA   A 1 83  ? -17.106 21.314  33.262  1   28.095  ? 95  ALA   A C    1 ? 1 
ATOM   1138 O O    . ALA   A 1 83  ? -17.793 22.115  33.913  1   28.496  ? 95  ALA   A O    1 ? 1 
ATOM   1139 C CB   . ALA   A 1 83  ? -18.508 20.62   31.39   1   27.882  ? 95  ALA   A CB   1 ? 1 
ATOM   1140 H H    . ALA   A 1 83  ? -16.231 20.011  30.511  1   24.804  ? 95  ALA   A H    1 c 1 
ATOM   1141 H HA   . ALA   A 1 83  ? -17.302 22.273  31.448  1   27.554  ? 95  ALA   A HA   1 c 1 
ATOM   1142 H HB1  . ALA   A 1 83  ? -18.638 20.645  30.427  1   27.321  ? 95  ALA   A HB1  1 c 1 
ATOM   1143 H HB2  . ALA   A 1 83  ? -18.463 19.695  31.683  1   26.781  ? 95  ALA   A HB2  1 c 1 
ATOM   1144 H HB3  . ALA   A 1 83  ? -19.258 21.059  31.826  1   28.642  ? 95  ALA   A HB3  1 c 1 
ATOM   1145 N N    . THR   A 1 84  ? -16.285 20.412  33.826  1   28.585  ? 96  THR   A N    1 ? 1 
ATOM   1146 C CA   . THR   A 1 84  ? -16.145 20.302  35.262  1   31.193  ? 96  THR   A CA   1 ? 1 
ATOM   1147 C C    . THR   A 1 84  ? -15.034 21.21   35.806  1   31.783  ? 96  THR   A C    1 ? 1 
ATOM   1148 O O    . THR   A 1 84  ? -14.846 21.225  37.023  1   31.679  ? 96  THR   A O    1 ? 1 
ATOM   1149 C CB   . THR   A 1 84  ? -15.866 18.874  35.739  1   30.13   ? 96  THR   A CB   1 ? 1 
ATOM   1150 O OG1  . THR   A 1 84  ? -14.562 18.477  35.328  1   29.006  ? 96  THR   A OG1  1 ? 1 
ATOM   1151 C CG2  . THR   A 1 84  ? -16.897 17.847  35.308  1   27.715  ? 96  THR   A CG2  1 ? 1 
ATOM   1152 H H    . THR   A 1 84  ? -15.814 19.836  33.296  1   27.581  ? 96  THR   A H    1 c 1 
ATOM   1153 H HA   . THR   A 1 84  ? -16.993 20.589  35.667  1   31.789  ? 96  THR   A HA   1 c 1 
ATOM   1154 H HB   . THR   A 1 84  ? -15.885 18.882  36.726  1   30.542  ? 96  THR   A HB   1 c 1 
ATOM   1155 H HG1  . THR   A 1 84  ? -14.467 18.569  34.455  0   30      ? 96  THR   A HG1  1 c 1 
ATOM   1156 H HG21 . THR   A 1 84  ? -16.637 16.969  35.634  1   27.96   ? 96  THR   A HG21 1 c 1 
ATOM   1157 H HG22 . THR   A 1 84  ? -16.951 17.829  34.338  1   27.716  ? 96  THR   A HG22 1 c 1 
ATOM   1158 H HG23 . THR   A 1 84  ? -17.765 18.084  35.675  1   29.373  ? 96  THR   A HG23 1 c 1 
ATOM   1159 N N    . MET   A 1 85  ? -14.262 21.886  34.946  1   28.19   ? 97  MET   A N    1 ? 1 
ATOM   1160 C CA   . MET   A 1 85  ? -13.015 22.472  35.389  1   32.07   ? 97  MET   A CA   1 ? 1 
ATOM   1161 C C    . MET   A 1 85  ? -13.18  23.966  35.63   1   32.756  ? 97  MET   A C    1 ? 1 
ATOM   1162 O O    . MET   A 1 85  ? -14.038 24.643  35.021  1   32.943  ? 97  MET   A O    1 ? 1 
ATOM   1163 C CB   . MET   A 1 85  ? -11.905 22.345  34.353  1   30.821  ? 97  MET   A CB   1 ? 1 
ATOM   1164 C CG   . MET   A 1 85  ? -11.574 20.889  34.054  1   30.167  ? 97  MET   A CG   1 ? 1 
ATOM   1165 S SD   . MET   A 1 85  ? -10.325 20.61   32.77   1   29.135  ? 97  MET   A SD   1 ? 1 
ATOM   1166 C CE   . MET   A 1 85  ? -8.921  21.299  33.707  1   33.01   ? 97  MET   A CE   1 ? 1 
ATOM   1167 H H    . MET   A 1 85  ? -14.517 21.988  34.074  1   29.382  ? 97  MET   A H    1 c 1 
ATOM   1168 H HA   . MET   A 1 85  ? -12.736 22.033  36.231  1   31.18   ? 97  MET   A HA   1 c 1 
ATOM   1169 H HB2  . MET   A 1 85  ? -12.187 22.79   33.526  1   31.211  ? 97  MET   A HB2  1 c 1 
ATOM   1170 H HB3  . MET   A 1 85  ? -11.104 22.8    34.687  1   31.735  ? 97  MET   A HB3  1 c 1 
ATOM   1171 H HG2  . MET   A 1 85  ? -11.264 20.463  34.875  1   29.972  ? 97  MET   A HG2  1 c 1 
ATOM   1172 H HG3  . MET   A 1 85  ? -12.393 20.432  33.782  1   29.429  ? 97  MET   A HG3  1 c 1 
ATOM   1173 H HE1  . MET   A 1 85  ? -8.102  21.185  33.192  1   32.216  ? 97  MET   A HE1  1 c 1 
ATOM   1174 H HE2  . MET   A 1 85  ? -9.072  22.249  33.867  1   33.278  ? 97  MET   A HE2  1 c 1 
ATOM   1175 H HE3  . MET   A 1 85  ? -8.839  20.832  34.559  1   32.352  ? 97  MET   A HE3  1 c 1 
ATOM   1176 N N    . LYS   A 1 86  ? -12.353 24.444  36.567  1   34.566  ? 98  LYS   A N    1 ? 1 
ATOM   1177 C CA   . LYS   A 1 86  ? -12.293 25.852  36.903  1   36.155  ? 98  LYS   A CA   1 ? 1 
ATOM   1178 C C    . LYS   A 1 86  ? -11.153 26.492  36.112  1   36.79   ? 98  LYS   A C    1 ? 1 
ATOM   1179 O O    . LYS   A 1 86  ? -10.194 25.847  35.719  1   35.073  ? 98  LYS   A O    1 ? 1 
ATOM   1180 C CB   . LYS   A 1 86  ? -12.196 26.028  38.434  1   40.71   ? 98  LYS   A CB   1 ? 1 
ATOM   1181 C CG   . LYS   A 1 86  ? -13.436 25.666  39.259  1   42.706  ? 98  LYS   A CG   1 ? 1 
ATOM   1182 C CD   . LYS   A 1 86  ? -13.273 25.534  40.776  1   51.084  ? 98  LYS   A CD   1 ? 1 
ATOM   1183 H H    . LYS   A 1 86  ? -11.801 23.866  37.011  1   33.864  ? 98  LYS   A H    1 c 1 
ATOM   1184 H HA   . LYS   A 1 86  ? -13.141 26.274  36.612  1   37.377  ? 98  LYS   A HA   1 c 1 
ATOM   1185 H HB2  . LYS   A 1 86  ? -11.447 25.481  38.755  1   39.791  ? 98  LYS   A HB2  1 c 1 
ATOM   1186 H HB3  . LYS   A 1 86  ? -11.971 26.965  38.618  1   41.72   ? 98  LYS   A HB3  1 c 1 
ATOM   1187 H HG2  . LYS   A 1 86  ? -14.12  26.349  39.084  1   44.781  ? 98  LYS   A HG2  1 c 1 
ATOM   1188 H HG3  . LYS   A 1 86  ? -13.788 24.817  38.914  1   42.529  ? 98  LYS   A HG3  1 c 1 
ATOM   1189 H HD2  . LYS   A 1 86  ? -12.304 25.654  40.956  0   30      ? 98  LYS   A HD2  1 c 1 
ATOM   1190 H HD3  . LYS   A 1 86  ? -14.151 25.647  41.149  0   30      ? 98  LYS   A HD3  1 c 1 
ATOM   1191 N N    . LYS   A 1 87  ? -11.229 27.818  35.951  1   37.163  ? 99  LYS   A N    1 ? 1 
ATOM   1192 C CA   . LYS   A 1 87  ? -10.163 28.541  35.276  1   40.641  ? 99  LYS   A CA   1 ? 1 
ATOM   1193 C C    . LYS   A 1 87  ? -8.891  28.4    36.116  1   44.23   ? 99  LYS   A C    1 ? 1 
ATOM   1194 O O    . LYS   A 1 87  ? -8.94   28.571  37.332  1   47.186  ? 99  LYS   A O    1 ? 1 
ATOM   1195 C CB   . LYS   A 1 87  ? -10.474 30.017  35.041  1   44.786  ? 99  LYS   A CB   1 ? 1 
ATOM   1196 C CG   . LYS   A 1 87  ? -9.419  30.704  34.197  1   49.052  ? 99  LYS   A CG   1 ? 1 
ATOM   1197 C CD   . LYS   A 1 87  ? -9.675  32.215  34.067  1   55.224  ? 99  LYS   A CD   1 ? 1 
ATOM   1198 C CE   . LYS   A 1 87  ? -8.481  32.997  33.579  1   60.868  ? 99  LYS   A CE   1 ? 1 
ATOM   1199 H H    . LYS   A 1 87  ? -11.953 28.279  36.266  1   39.09   ? 99  LYS   A H    1 c 1 
ATOM   1200 H HA   . LYS   A 1 87  ? -10.012 28.113  34.395  1   39.832  ? 99  LYS   A HA   1 c 1 
ATOM   1201 H HB2  . LYS   A 1 87  ? -11.342 30.097  34.591  1   45      ? 99  LYS   A HB2  1 c 1 
ATOM   1202 H HB3  . LYS   A 1 87  ? -10.537 30.476  35.906  1   46.383  ? 99  LYS   A HB3  1 c 1 
ATOM   1203 H HG2  . LYS   A 1 87  ? -8.538  30.559  34.607  1   49.089  ? 99  LYS   A HG2  1 c 1 
ATOM   1204 H HG3  . LYS   A 1 87  ? -9.414  30.297  33.304  1   47.889  ? 99  LYS   A HG3  1 c 1 
ATOM   1205 H HD2  . LYS   A 1 87  ? -10.422 32.356  33.444  1   55.268  ? 99  LYS   A HD2  1 c 1 
ATOM   1206 H HD3  . LYS   A 1 87  ? -9.948  32.566  34.942  1   56.241  ? 99  LYS   A HD3  1 c 1 
ATOM   1207 H HE2  . LYS   A 1 87  ? -7.835  32.709  33.776  0   30      ? 99  LYS   A HE2  1 c 1 
ATOM   1208 H HE3  . LYS   A 1 87  ? -9.101  33.898  33.179  0   30      ? 99  LYS   A HE3  1 c 1 
ATOM   1209 N N    . GLY   A 1 88  ? -7.785  28.025  35.442  1   42.225  ? 100 GLY   A N    1 ? 1 
ATOM   1210 C CA   . GLY   A 1 88  ? -6.504  27.754  36.074  1   43.55   ? 100 GLY   A CA   1 ? 1 
ATOM   1211 C C    . GLY   A 1 88  ? -6.294  26.309  36.49   1   42.756  ? 100 GLY   A C    1 ? 1 
ATOM   1212 O O    . GLY   A 1 88  ? -5.178  25.925  36.831  1   41.976  ? 100 GLY   A O    1 ? 1 
ATOM   1213 H H    . GLY   A 1 88  ? -7.84   27.937  34.533  1   42.102  ? 100 GLY   A H    1 c 1 
ATOM   1214 H HA2  . GLY   A 1 88  ? -5.788  28.011  35.447  1   44.045  ? 100 GLY   A HA2  1 c 1 
ATOM   1215 H HA3  . GLY   A 1 88  ? -6.419  28.33   36.87   1   45.042  ? 100 GLY   A HA3  1 c 1 
ATOM   1216 N N    . GLU   A 1 89  ? -7.351  25.489  36.445  1   37.93   ? 101 GLU   A N    1 ? 1 
ATOM   1217 C CA   . GLU   A 1 89  ? -7.262  24.098  36.876  1   35.768  ? 101 GLU   A CA   1 ? 1 
ATOM   1218 C C    . GLU   A 1 89  ? -6.441  23.268  35.885  1   36.76   ? 101 GLU   A C    1 ? 1 
ATOM   1219 O O    . GLU   A 1 89  ? -6.524  23.456  34.65   1   36.768  ? 101 GLU   A O    1 ? 1 
ATOM   1220 C CB   . GLU   A 1 89  ? -8.672  23.515  37.014  1   35.09   ? 101 GLU   A CB   1 ? 1 
ATOM   1221 C CG   . GLU   A 1 89  ? -8.738  22.079  37.521  1   32.132  ? 101 GLU   A CG   1 ? 1 
ATOM   1222 C CD   . GLU   A 1 89  ? -10.181 21.605  37.659  1   35.783  ? 101 GLU   A CD   1 ? 1 
ATOM   1223 O OE1  . GLU   A 1 89  ? -11.054 22.346  38.221  1   36.447  ? 101 GLU   A OE1  1 ? 1 
ATOM   1224 O OE2  . GLU   A 1 89  ? -10.461 20.459  37.2    1   31.86   ? 101 GLU   A OE2  1 ? 1 
ATOM   1225 H H    . GLU   A 1 89  ? -8.151  25.799  36.131  1   38.42   ? 101 GLU   A H    1 c 1 
ATOM   1226 H HA   . GLU   A 1 89  ? -6.819  24.076  37.76   1   37.222  ? 101 GLU   A HA   1 c 1 
ATOM   1227 H HB2  . GLU   A 1 89  ? -9.186  24.086  37.622  1   35.59   ? 101 GLU   A HB2  1 c 1 
ATOM   1228 H HB3  . GLU   A 1 89  ? -9.108  23.547  36.137  1   33.884  ? 101 GLU   A HB3  1 c 1 
ATOM   1229 H HG2  . GLU   A 1 89  ? -8.267  21.487  36.897  1   32.533  ? 101 GLU   A HG2  1 c 1 
ATOM   1230 H HG3  . GLU   A 1 89  ? -8.298  22.02   38.396  1   34.254  ? 101 GLU   A HG3  1 c 1 
ATOM   1231 N N    . ILE   A 1 90  ? -5.675  22.317  36.46   1   33.575  ? 102 ILE   A N    1 ? 1 
ATOM   1232 C CA   . ILE   A 1 90  ? -5.08   21.249  35.692  1   33.723  ? 102 ILE   A CA   1 ? 1 
ATOM   1233 C C    . ILE   A 1 90  ? -5.68   19.94   36.15   1   34.197  ? 102 ILE   A C    1 ? 1 
ATOM   1234 O O    . ILE   A 1 90  ? -5.64   19.621  37.338  1   31.754  ? 102 ILE   A O    1 ? 1 
ATOM   1235 C CB   . ILE   A 1 90  ? -3.559  21.226  35.805  1   37.456  ? 102 ILE   A CB   1 ? 1 
ATOM   1236 C CG1  . ILE   A 1 90  ? -2.979  22.578  35.334  1   37.136  ? 102 ILE   A CG1  1 ? 1 
ATOM   1237 C CG2  . ILE   A 1 90  ? -2.967  20.054  35.062  1   36.969  ? 102 ILE   A CG2  1 ? 1 
ATOM   1238 C CD1  . ILE   A 1 90  ? -1.475  22.672  35.393  1   40.038  ? 102 ILE   A CD1  1 ? 1 
ATOM   1239 H H    . ILE   A 1 90  ? -5.523  22.346  37.361  1   35.335  ? 102 ILE   A H    1 c 1 
ATOM   1240 H HA   . ILE   A 1 90  ? -5.31   21.384  34.756  1   33.615  ? 102 ILE   A HA   1 c 1 
ATOM   1241 H HB   . ILE   A 1 90  ? -3.335  21.122  36.751  1   37.437  ? 102 ILE   A HB   1 c 1 
ATOM   1242 H HG12 . ILE   A 1 90  ? -3.264  22.733  34.411  1   37.245  ? 102 ILE   A HG12 1 c 1 
ATOM   1243 H HG13 . ILE   A 1 90  ? -3.357  23.292  35.887  1   38.591  ? 102 ILE   A HG13 1 c 1 
ATOM   1244 H HG21 . ILE   A 1 90  ? -2.002  20.05   35.171  1   37.804  ? 102 ILE   A HG21 1 c 1 
ATOM   1245 H HG22 . ILE   A 1 90  ? -3.184  20.125  34.117  1   36.183  ? 102 ILE   A HG22 1 c 1 
ATOM   1246 H HG23 . ILE   A 1 90  ? -3.331  19.225  35.414  1   36.08   ? 102 ILE   A HG23 1 c 1 
ATOM   1247 H HD11 . ILE   A 1 90  ? -1.172  22.538  36.312  1   40.428  ? 102 ILE   A HD11 1 c 1 
ATOM   1248 H HD12 . ILE   A 1 90  ? -1.197  23.556  35.088  1   40.876  ? 102 ILE   A HD12 1 c 1 
ATOM   1249 H HD13 . ILE   A 1 90  ? -1.073  21.994  34.818  1   39.116  ? 102 ILE   A HD13 1 c 1 
ATOM   1250 N N    . ALA   A 1 91  ? -6.14   19.145  35.164  1   29.173  ? 103 ALA   A N    1 ? 1 
ATOM   1251 C CA   . ALA   A 1 91  ? -6.803  17.903  35.462  1   28.382  ? 103 ALA   A CA   1 ? 1 
ATOM   1252 C C    . ALA   A 1 91  ? -6.25   16.808  34.539  1   24.677  ? 103 ALA   A C    1 ? 1 
ATOM   1253 O O    . ALA   A 1 91  ? -5.768  17.13   33.424  1   28.379  ? 103 ALA   A O    1 ? 1 
ATOM   1254 C CB   . ALA   A 1 91  ? -8.31   18.04   35.261  1   26.43   ? 103 ALA   A CB   1 ? 1 
ATOM   1255 H H    . ALA   A 1 91  ? -6.033  19.392  34.29   1   29.723  ? 103 ALA   A H    1 c 1 
ATOM   1256 H HA   . ALA   A 1 91  ? -6.611  17.654  36.406  1   28.224  ? 103 ALA   A HA   1 c 1 
ATOM   1257 H HB1  . ALA   A 1 91  ? -8.663  18.704  35.877  1   27.544  ? 103 ALA   A HB1  1 c 1 
ATOM   1258 H HB2  . ALA   A 1 91  ? -8.494  18.319  34.348  1   26.368  ? 103 ALA   A HB2  1 c 1 
ATOM   1259 H HB3  . ALA   A 1 91  ? -8.741  17.185  35.428  1   26.354  ? 103 ALA   A HB3  1 c 1 
ATOM   1260 N N    . HIS   A 1 92  ? -6.242  15.608  35.088  1   25.847  ? 104 HIS   A N    1 ? 1 
ATOM   1261 C CA   . HIS   A 1 92  ? -5.961  14.41   34.311  1   26.733  ? 104 HIS   A CA   1 ? 1 
ATOM   1262 C C    . HIS   A 1 92  ? -7.256  13.669  34.027  1   25.456  ? 104 HIS   A C    1 ? 1 
ATOM   1263 O O    . HIS   A 1 92  ? -8.082  13.435  34.942  1   22.991  ? 104 HIS   A O    1 ? 1 
ATOM   1264 C CB   . HIS   A 1 92  ? -4.967  13.502  35.023  1   27.421  ? 104 HIS   A CB   1 ? 1 
ATOM   1265 C CG   . HIS   A 1 92  ? -3.6    14.049  35.128  1   26.564  ? 104 HIS   A CG   1 ? 1 
ATOM   1266 N ND1  . HIS   A 1 92  ? -2.584  13.387  35.774  1   27.365  ? 104 HIS   A ND1  1 ? 1 
ATOM   1267 C CD2  . HIS   A 1 92  ? -3.064  15.144  34.592  1   26.742  ? 104 HIS   A CD2  1 ? 1 
ATOM   1268 C CE1  . HIS   A 1 92  ? -1.47   14.099  35.649  1   29.136  ? 104 HIS   A CE1  1 ? 1 
ATOM   1269 N NE2  . HIS   A 1 92  ? -1.751  15.176  34.923  1   27.57   ? 104 HIS   A NE2  1 ? 1 
ATOM   1270 H H    . HIS   A 1 92  ? -6.415  15.52   35.981  1   26.402  ? 104 HIS   A H    1 c 1 
ATOM   1271 H HA   . HIS   A 1 92  ? -5.568  14.688  33.45   1   26.098  ? 104 HIS   A HA   1 c 1 
ATOM   1272 H HB2  . HIS   A 1 92  ? -5.304  13.318  35.927  1   27.401  ? 104 HIS   A HB2  1 c 1 
ATOM   1273 H HB3  . HIS   A 1 92  ? -4.928  12.645  34.546  1   26.608  ? 104 HIS   A HB3  1 c 1 
ATOM   1274 H HD1  . HIS   A 1 92  ? -2.666  12.536  36.12   0   30      ? 104 HIS   A HD1  1 c 1 
ATOM   1275 H HD2  . HIS   A 1 92  ? -3.512  15.788  34.08   1   26.27   ? 104 HIS   A HD2  1 c 1 
ATOM   1276 H HE1  . HIS   A 1 92  ? -0.63   13.882  36.017  1   29.907  ? 104 HIS   A HE1  1 c 1 
ATOM   1277 H HE2  . HIS   A 1 92  ? -1.181  15.746  34.728  0   30      ? 104 HIS   A HE2  1 c 1 
ATOM   1278 N N    . LEU   A 1 93  ? -7.373  13.154  32.777  1   22.857  ? 105 LEU   A N    1 ? 1 
ATOM   1279 C CA   . LEU   A 1 93  ? -8.539  12.364  32.395  1   21.898  ? 105 LEU   A CA   1 ? 1 
ATOM   1280 C C    . LEU   A 1 93  ? -8.108  11.011  31.84   1   23.191  ? 105 LEU   A C    1 ? 1 
ATOM   1281 O O    . LEU   A 1 93  ? -7.159  11.035  31.057  1   24.531  ? 105 LEU   A O    1 ? 1 
ATOM   1282 C CB   . LEU   A 1 93  ? -9.38   13.105  31.352  1   24.444  ? 105 LEU   A CB   1 ? 1 
ATOM   1283 C CG   . LEU   A 1 93  ? -9.945  14.469  31.7    1   25.646  ? 105 LEU   A CG   1 ? 1 
ATOM   1284 C CD1  . LEU   A 1 93  ? -10.668 15.028  30.473  1   31.512  ? 105 LEU   A CD1  1 ? 1 
ATOM   1285 C CD2  . LEU   A 1 93  ? -10.875 14.31   32.846  1   24.349  ? 105 LEU   A CD2  1 ? 1 
ATOM   1286 H H    . LEU   A 1 93  ? -6.715  13.3    32.16   1   23.241  ? 105 LEU   A H    1 c 1 
ATOM   1287 H HA   . LEU   A 1 93  ? -9.089  12.21   33.2    1   23.065  ? 105 LEU   A HA   1 c 1 
ATOM   1288 H HB2  . LEU   A 1 93  ? -8.832  13.202  30.54   1   23.807  ? 105 LEU   A HB2  1 c 1 
ATOM   1289 H HB3  . LEU   A 1 93  ? -10.132 12.52   31.103  1   23.645  ? 105 LEU   A HB3  1 c 1 
ATOM   1290 H HG   . LEU   A 1 93  ? -9.202  15.075  31.955  1   26.527  ? 105 LEU   A HG   1 c 1 
ATOM   1291 H HD11 . LEU   A 1 93  ? -10.048 15.082  29.727  1   29.397  ? 105 LEU   A HD11 1 c 1 
ATOM   1292 H HD12 . LEU   A 1 93  ? -11.009 15.916  30.674  1   29.916  ? 105 LEU   A HD12 1 c 1 
ATOM   1293 H HD13 . LEU   A 1 93  ? -11.407 14.443  30.237  1   29.297  ? 105 LEU   A HD13 1 c 1 
ATOM   1294 H HD21 . LEU   A 1 93  ? -10.379 14.032  33.634  1   25.181  ? 105 LEU   A HD21 1 c 1 
ATOM   1295 H HD22 . LEU   A 1 93  ? -11.544 13.639  32.632  1   24.633  ? 105 LEU   A HD22 1 c 1 
ATOM   1296 H HD23 . LEU   A 1 93  ? -11.315 15.158  33.025  1   25.168  ? 105 LEU   A HD23 1 c 1 
ATOM   1297 N N    . LEU   A 1 94  ? -8.635  9.911   32.402  1   22.915  ? 106 LEU   A N    1 ? 1 
ATOM   1298 C CA   . LEU   A 1 94  ? -8.452  8.557   31.876  1   25.758  ? 106 LEU   A CA   1 ? 1 
ATOM   1299 C C    . LEU   A 1 94  ? -9.736  8.138   31.185  1   29.448  ? 106 LEU   A C    1 ? 1 
ATOM   1300 O O    . LEU   A 1 94  ? -10.821 8.141   31.799  1   24.279  ? 106 LEU   A O    1 ? 1 
ATOM   1301 C CB   . LEU   A 1 94  ? -8.063  7.568   32.959  1   31.266  ? 106 LEU   A CB   1 ? 1 
ATOM   1302 C CG   . LEU   A 1 94  ? -7.749  6.143   32.494  1   30.838  ? 106 LEU   A CG   1 ? 1 
ATOM   1303 C CD1  . LEU   A 1 94  ? -6.5    6.143   31.617  1   35.727  ? 106 LEU   A CD1  1 ? 1 
ATOM   1304 C CD2  . LEU   A 1 94  ? -7.598  5.222   33.681  1   40.607  ? 106 LEU   A CD2  1 ? 1 
ATOM   1305 H H    . LEU   A 1 94  ? -9.14   10.012  33.158  1   23.893  ? 106 LEU   A H    1 c 1 
ATOM   1306 H HA   . LEU   A 1 94  ? -7.731  8.589   31.2    1   26.603  ? 106 LEU   A HA   1 c 1 
ATOM   1307 H HB2  . LEU   A 1 94  ? -7.272  7.922   33.427  1   30.359  ? 106 LEU   A HB2  1 c 1 
ATOM   1308 H HB3  . LEU   A 1 94  ? -8.799  7.525   33.613  1   30.235  ? 106 LEU   A HB3  1 c 1 
ATOM   1309 H HG   . LEU   A 1 94  ? -8.51   5.818   31.947  1   32.984  ? 106 LEU   A HG   1 c 1 
ATOM   1310 H HD11 . LEU   A 1 94  ? -6.668  6.654   30.808  1   33.401  ? 106 LEU   A HD11 1 c 1 
ATOM   1311 H HD12 . LEU   A 1 94  ? -6.271  5.229   31.379  1   34.768  ? 106 LEU   A HD12 1 c 1 
ATOM   1312 H HD13 . LEU   A 1 94  ? -5.761  6.544   32.104  1   34.591  ? 106 LEU   A HD13 1 c 1 
ATOM   1313 H HD21 . LEU   A 1 94  ? -8.423  5.216   34.194  1   37.989  ? 106 LEU   A HD21 1 c 1 
ATOM   1314 H HD22 . LEU   A 1 94  ? -6.869  5.533   34.243  1   38.322  ? 106 LEU   A HD22 1 c 1 
ATOM   1315 H HD23 . LEU   A 1 94  ? -7.405  4.321   33.37   1   38.396  ? 106 LEU   A HD23 1 c 1 
ATOM   1316 N N    . ILE   A 1 95  ? -9.602  7.792   29.876  1   26.689  ? 107 ILE   A N    1 ? 1 
ATOM   1317 C CA   . ILE   A 1 95  ? -10.773 7.761   29.039  1   23.608  ? 107 ILE   A CA   1 ? 1 
ATOM   1318 C C    . ILE   A 1 95  ? -10.867 6.429   28.304  1   26.116  ? 107 ILE   A C    1 ? 1 
ATOM   1319 O O    . ILE   A 1 95  ? -9.97   6.092   27.512  1   24.225  ? 107 ILE   A O    1 ? 1 
ATOM   1320 C CB   . ILE   A 1 95  ? -10.751 8.914   28.024  1   23.613  ? 107 ILE   A CB   1 ? 1 
ATOM   1321 C CG1  . ILE   A 1 95  ? -10.62  10.285  28.691  1   25.329  ? 107 ILE   A CG1  1 ? 1 
ATOM   1322 C CG2  . ILE   A 1 95  ? -11.977 8.835   27.135  1   22.063  ? 107 ILE   A CG2  1 ? 1 
ATOM   1323 C CD1  . ILE   A 1 95  ? -10.082 11.322  27.739  1   23.661  ? 107 ILE   A CD1  1 ? 1 
ATOM   1324 H H    . ILE   A 1 95  ? -8.786  7.575   29.526  1   26.695  ? 107 ILE   A H    1 c 1 
ATOM   1325 H HA   . ILE   A 1 95  ? -11.563 7.865   29.602  1   24.74   ? 107 ILE   A HA   1 c 1 
ATOM   1326 H HB   . ILE   A 1 95  ? -9.965  8.788   27.455  1   23.58   ? 107 ILE   A HB   1 c 1 
ATOM   1327 H HG12 . ILE   A 1 95  ? -11.498 10.569  29.016  1   24.541  ? 107 ILE   A HG12 1 c 1 
ATOM   1328 H HG13 . ILE   A 1 95  ? -10.018 10.215  29.459  1   24.752  ? 107 ILE   A HG13 1 c 1 
ATOM   1329 H HG21 . ILE   A 1 95  ? -12.043 9.642   26.598  1   22.367  ? 107 ILE   A HG21 1 c 1 
ATOM   1330 H HG22 . ILE   A 1 95  ? -12.773 8.749   27.686  1   22.71   ? 107 ILE   A HG22 1 c 1 
ATOM   1331 H HG23 . ILE   A 1 95  ? -11.907 8.065   26.547  1   22.741  ? 107 ILE   A HG23 1 c 1 
ATOM   1332 H HD11 . ILE   A 1 95  ? -9.227  11.017  27.38   1   24.211  ? 107 ILE   A HD11 1 c 1 
ATOM   1333 H HD12 . ILE   A 1 95  ? -9.952  12.165  28.213  1   24.172  ? 107 ILE   A HD12 1 c 1 
ATOM   1334 H HD13 . ILE   A 1 95  ? -10.71  11.457  27.005  1   24.013  ? 107 ILE   A HD13 1 c 1 
ATOM   1335 N N    . LYS   A 1 96  ? -11.931 5.703   28.609  1   24.685  ? 108 LYS   A N    1 ? 1 
ATOM   1336 C CA   . LYS   A 1 96  ? -12.238 4.449   27.927  1   25.406  ? 108 LYS   A CA   1 ? 1 
ATOM   1337 C C    . LYS   A 1 96  ? -12.733 4.765   26.519  1   24.609  ? 108 LYS   A C    1 ? 1 
ATOM   1338 O O    . LYS   A 1 96  ? -13.282 5.824   26.251  1   24.773  ? 108 LYS   A O    1 ? 1 
ATOM   1339 C CB   . LYS   A 1 96  ? -13.315 3.68    28.713  1   24.974  ? 108 LYS   A CB   1 ? 1 
ATOM   1340 C CG   . LYS   A 1 96  ? -12.765 3.129   30.068  1   30.166  ? 108 LYS   A CG   1 ? 1 
ATOM   1341 C CD   . LYS   A 1 96  ? -11.444 2.344   29.976  1   34.619  ? 108 LYS   A CD   1 ? 1 
ATOM   1342 C CE   . LYS   A 1 96  ? -10.92  1.79    31.296  1   37.479  ? 108 LYS   A CE   1 ? 1 
ATOM   1343 N NZ   . LYS   A 1 96  ? -10.275 2.921   31.991  1   35.784  ? 108 LYS   A NZ   1 ? 1 
ATOM   1344 H H    . LYS   A 1 96  ? -12.493 5.99    29.27   1   25.208  ? 108 LYS   A H    1 c 1 
ATOM   1345 H HA   . LYS   A 1 96  ? -11.41  3.913   27.863  1   25.454  ? 108 LYS   A HA   1 c 1 
ATOM   1346 H HB2  . LYS   A 1 96  ? -14.072 4.277   28.897  1   26.055  ? 108 LYS   A HB2  1 c 1 
ATOM   1347 H HB3  . LYS   A 1 96  ? -13.644 2.93    28.175  1   26.852  ? 108 LYS   A HB3  1 c 1 
ATOM   1348 H HG2  . LYS   A 1 96  ? -12.638 3.888   30.678  1   29.546  ? 108 LYS   A HG2  1 c 1 
ATOM   1349 H HG3  . LYS   A 1 96  ? -13.45  2.547   30.464  1   30.82   ? 108 LYS   A HG3  1 c 1 
ATOM   1350 H HD2  . LYS   A 1 96  ? -11.572 1.597   29.351  1   34.537  ? 108 LYS   A HD2  1 c 1 
ATOM   1351 H HD3  . LYS   A 1 96  ? -10.758 2.929   29.59   1   33.225  ? 108 LYS   A HD3  1 c 1 
ATOM   1352 H HE2  . LYS   A 1 96  ? -11.651 1.442   31.838  1   37.603  ? 108 LYS   A HE2  1 c 1 
ATOM   1353 H HE3  . LYS   A 1 96  ? -10.269 1.082   31.139  1   37.547  ? 108 LYS   A HE3  1 c 1 
ATOM   1354 H HZ1  . LYS   A 1 96  ? -10.899 3.533   32.23   1   35.588  ? 108 LYS   A HZ1  1 c 1 
ATOM   1355 H HZ2  . LYS   A 1 96  ? -9.664  3.314   31.449  1   35.429  ? 108 LYS   A HZ2  1 c 1 
ATOM   1356 H HZ3  . LYS   A 1 96  ? -9.853  2.624   32.729  1   36.834  ? 108 LYS   A HZ3  1 c 1 
ATOM   1357 N N    . PRO   A 1 97  ? -12.691 3.777   25.565  1   23.636  ? 109 PRO   A N    1 ? 1 
ATOM   1358 C CA   . PRO   A 1 97  ? -13.016 4.059   24.184  1   27.327  ? 109 PRO   A CA   1 ? 1 
ATOM   1359 C C    . PRO   A 1 97  ? -14.419 4.586   23.944  1   26.081  ? 109 PRO   A C    1 ? 1 
ATOM   1360 O O    . PRO   A 1 97  ? -14.63  5.375   23.059  1   25.057  ? 109 PRO   A O    1 ? 1 
ATOM   1361 C CB   . PRO   A 1 97  ? -12.678 2.741   23.489  1   24.82   ? 109 PRO   A CB   1 ? 1 
ATOM   1362 C CG   . PRO   A 1 97  ? -12.672 1.691   24.566  1   29.169  ? 109 PRO   A CG   1 ? 1 
ATOM   1363 C CD   . PRO   A 1 97  ? -12.168 2.43    25.797  1   29.779  ? 109 PRO   A CD   1 ? 1 
ATOM   1364 H HA   . PRO   A 1 97  ? -12.383 4.732   23.856  1   25.11   ? 109 PRO   A HA   1 c 1 
ATOM   1365 H HB2  . PRO   A 1 97  ? -13.346 2.53    22.807  1   26.86   ? 109 PRO   A HB2  1 c 1 
ATOM   1366 H HB3  . PRO   A 1 97  ? -11.805 2.795   23.055  1   26.302  ? 109 PRO   A HB3  1 c 1 
ATOM   1367 H HG2  . PRO   A 1 97  ? -13.571 1.337   24.717  1   29.162  ? 109 PRO   A HG2  1 c 1 
ATOM   1368 H HG3  . PRO   A 1 97  ? -12.073 0.953   24.334  1   29.257  ? 109 PRO   A HG3  1 c 1 
ATOM   1369 H HD2  . PRO   A 1 97  ? -12.528 2.046   26.616  1   28.584  ? 109 PRO   A HD2  1 c 1 
ATOM   1370 H HD3  . PRO   A 1 97  ? -11.192 2.436   25.839  1   28.051  ? 109 PRO   A HD3  1 c 1 
ATOM   1371 N N    . GLU   A 1 98  ? -15.385 4.198   24.779  1   26.282  ? 110 GLU   A N    1 ? 1 
ATOM   1372 C CA   . GLU   A 1 98  ? -16.755 4.656   24.61   1   30.849  ? 110 GLU   A CA   1 ? 1 
ATOM   1373 C C    . GLU   A 1 98  ? -16.904 6.168   24.687  1   29.232  ? 110 GLU   A C    1 ? 1 
ATOM   1374 O O    . GLU   A 1 98  ? -17.885 6.705   24.163  1   29.179  ? 110 GLU   A O    1 ? 1 
ATOM   1375 C CB   . GLU   A 1 98  ? -17.666 3.989   25.65   1   35.028  ? 110 GLU   A CB   1 ? 1 
ATOM   1376 C CG   . GLU   A 1 98  ? -17.715 2.484   25.456  1   38.211  ? 110 GLU   A CG   1 ? 1 
ATOM   1377 C CD   . GLU   A 1 98  ? -16.545 1.621   25.909  1   39.704  ? 110 GLU   A CD   1 ? 1 
ATOM   1378 O OE1  . GLU   A 1 98  ? -15.679 2.022   26.753  1   31.103  ? 110 GLU   A OE1  1 ? 1 
ATOM   1379 O OE2  . GLU   A 1 98  ? -16.597 0.473   25.371  1   35.751  ? 110 GLU   A OE2  1 ? 1 
ATOM   1380 H H    . GLU   A 1 98  ? -15.183 3.652   25.482  1   27.601  ? 110 GLU   A H    1 c 1 
ATOM   1381 H HA   . GLU   A 1 98  ? -17.061 4.366   23.713  1   30.913  ? 110 GLU   A HA   1 c 1 
ATOM   1382 H HB2  . GLU   A 1 98  ? -17.334 4.2     26.546  1   34.382  ? 110 GLU   A HB2  1 c 1 
ATOM   1383 H HB3  . GLU   A 1 98  ? -18.569 4.36    25.568  1   35.249  ? 110 GLU   A HB3  1 c 1 
ATOM   1384 H HG2  . GLU   A 1 98  ? -18.517 2.149   25.911  1   39.067  ? 110 GLU   A HG2  1 c 1 
ATOM   1385 H HG3  . GLU   A 1 98  ? -17.855 2.309   24.501  1   38.306  ? 110 GLU   A HG3  1 c 1 
ATOM   1386 N N    . TYR   A 1 99  ? -15.937 6.849   25.321  1   28.442  ? 111 TYR   A N    1 ? 1 
ATOM   1387 C CA   . TYR   A 1 99  ? -16.004 8.305   25.448  1   31.489  ? 111 TYR   A CA   1 ? 1 
ATOM   1388 C C    . TYR   A 1 99  ? -14.887 8.937   24.62   1   27.932  ? 111 TYR   A C    1 ? 1 
ATOM   1389 O O    . TYR   A 1 99  ? -14.585 10.133  24.768  1   27.108  ? 111 TYR   A O    1 ? 1 
ATOM   1390 C CB   . TYR   A 1 99  ? -15.911 8.679   26.931  1   27.725  ? 111 TYR   A CB   1 ? 1 
ATOM   1391 C CG   . TYR   A 1 99  ? -17.119 8.208   27.712  1   24.883  ? 111 TYR   A CG   1 ? 1 
ATOM   1392 C CD1  . TYR   A 1 99  ? -18.237 9.033   27.796  1   30.292  ? 111 TYR   A CD1  1 ? 1 
ATOM   1393 C CD2  . TYR   A 1 99  ? -17.184 6.926   28.259  1   26.595  ? 111 TYR   A CD2  1 ? 1 
ATOM   1394 C CE1  . TYR   A 1 99  ? -19.373 8.617   28.473  1   32.416  ? 111 TYR   A CE1  1 ? 1 
ATOM   1395 C CE2  . TYR   A 1 99  ? -18.329 6.51    28.923  1   29.92   ? 111 TYR   A CE2  1 ? 1 
ATOM   1396 C CZ   . TYR   A 1 99  ? -19.414 7.369   29.054  1   32.49   ? 111 TYR   A CZ   1 ? 1 
ATOM   1397 O OH   . TYR   A 1 99  ? -20.584 6.977   29.678  1   33.675  ? 111 TYR   A OH   1 ? 1 
ATOM   1398 H H    . TYR   A 1 99  ? -15.235 6.404   25.701  1   28.893  ? 111 TYR   A H    1 c 1 
ATOM   1399 H HA   . TYR   A 1 99  ? -16.878 8.62    25.096  1   30.017  ? 111 TYR   A HA   1 c 1 
ATOM   1400 H HB2  . TYR   A 1 99  ? -15.101 8.273   27.312  1   27.247  ? 111 TYR   A HB2  1 c 1 
ATOM   1401 H HB3  . TYR   A 1 99  ? -15.838 9.657   27.009  1   27.26   ? 111 TYR   A HB3  1 c 1 
ATOM   1402 H HD1  . TYR   A 1 99  ? -18.209 9.898   27.419  1   29.02   ? 111 TYR   A HD1  1 c 1 
ATOM   1403 H HD2  . TYR   A 1 99  ? -16.443 6.346   28.191  1   26.672  ? 111 TYR   A HD2  1 c 1 
ATOM   1404 H HE1  . TYR   A 1 99  ? -20.116 9.191   28.543  1   32.59   ? 111 TYR   A HE1  1 c 1 
ATOM   1405 H HE2  . TYR   A 1 99  ? -18.361 5.654   29.314  1   30.519  ? 111 TYR   A HE2  1 c 1 
ATOM   1406 H HH   . TYR   A 1 99  ? -21.182 7.598   29.653  0   30      ? 111 TYR   A HH   1 c 1 
ATOM   1407 N N    . ALA   A 1 100 ? -14.308 8.142   23.688  1   27.04   ? 112 ALA   A N    1 ? 1 
ATOM   1408 C CA   . ALA   A 1 100 ? -13.28  8.644   22.788  1   23.836  ? 112 ALA   A CA   1 ? 1 
ATOM   1409 C C    . ALA   A 1 100 ? -13.606 8.224   21.354  1   25.203  ? 112 ALA   A C    1 ? 1 
ATOM   1410 O O    . ALA   A 1 100 ? -14.513 8.787   20.767  1   27.096  ? 112 ALA   A O    1 ? 1 
ATOM   1411 C CB   . ALA   A 1 100 ? -11.918 8.162   23.253  1   25.688  ? 112 ALA   A CB   1 ? 1 
ATOM   1412 H H    . ALA   A 1 100 ? -14.571 7.271   23.608  1   26.985  ? 112 ALA   A H    1 c 1 
ATOM   1413 H HA   . ALA   A 1 100 ? -13.294 9.638   22.823  1   24.744  ? 112 ALA   A HA   1 c 1 
ATOM   1414 H HB1  . ALA   A 1 100 ? -11.686 8.601   24.089  1   24.672  ? 112 ALA   A HB1  1 c 1 
ATOM   1415 H HB2  . ALA   A 1 100 ? -11.94  7.201   23.393  1   25.308  ? 112 ALA   A HB2  1 c 1 
ATOM   1416 H HB3  . ALA   A 1 100 ? -11.247 8.376   22.583  1   25.184  ? 112 ALA   A HB3  1 c 1 
ATOM   1417 N N    . TYR   A 1 101 ? -12.877 7.244   20.803  1   26.595  ? 113 TYR   A N    1 ? 1 
ATOM   1418 C CA   . TYR   A 1 101 ? -13.092 6.822   19.425  1   23.61   ? 113 TYR   A CA   1 ? 1 
ATOM   1419 C C    . TYR   A 1 101 ? -13.677 5.416   19.244  1   27.216  ? 113 TYR   A C    1 ? 1 
ATOM   1420 O O    . TYR   A 1 101 ? -13.788 4.966   18.102  1   24.528  ? 113 TYR   A O    1 ? 1 
ATOM   1421 C CB   . TYR   A 1 101 ? -11.76  6.934   18.67   1   24.671  ? 113 TYR   A CB   1 ? 1 
ATOM   1422 C CG   . TYR   A 1 101 ? -11.192 8.339   18.678  1   24.552  ? 113 TYR   A CG   1 ? 1 
ATOM   1423 C CD1  . TYR   A 1 101 ? -11.611 9.288   17.76   1   25.266  ? 113 TYR   A CD1  1 ? 1 
ATOM   1424 C CD2  . TYR   A 1 101 ? -10.284 8.742   19.667  1   22.725  ? 113 TYR   A CD2  1 ? 1 
ATOM   1425 C CE1  . TYR   A 1 101 ? -11.132 10.587  17.774  1   26.932  ? 113 TYR   A CE1  1 ? 1 
ATOM   1426 C CE2  . TYR   A 1 101 ? -9.823  10.062  19.698  1   23.018  ? 113 TYR   A CE2  1 ? 1 
ATOM   1427 C CZ   . TYR   A 1 101 ? -10.239 10.982  18.755  1   23.32   ? 113 TYR   A CZ   1 ? 1 
ATOM   1428 O OH   . TYR   A 1 101 ? -9.798  12.278  18.747  1   25.051  ? 113 TYR   A OH   1 ? 1 
ATOM   1429 H H    . TYR   A 1 101 ? -12.237 6.818   21.295  1   25.213  ? 113 TYR   A H    1 c 1 
ATOM   1430 H HA   . TYR   A 1 101 ? -13.725 7.463   19.007  1   25.227  ? 113 TYR   A HA   1 c 1 
ATOM   1431 H HB2  . TYR   A 1 101 ? -11.111 6.323   19.083  1   24.533  ? 113 TYR   A HB2  1 c 1 
ATOM   1432 H HB3  . TYR   A 1 101 ? -11.899 6.651   17.739  1   25.4    ? 113 TYR   A HB3  1 c 1 
ATOM   1433 H HD1  . TYR   A 1 101 ? -12.227 9.037   17.09   1   26.251  ? 113 TYR   A HD1  1 c 1 
ATOM   1434 H HD2  . TYR   A 1 101 ? -10.002 8.13    20.328  1   22.812  ? 113 TYR   A HD2  1 c 1 
ATOM   1435 H HE1  . TYR   A 1 101 ? -11.43  11.208  17.133  1   26.571  ? 113 TYR   A HE1  1 c 1 
ATOM   1436 H HE2  . TYR   A 1 101 ? -9.205  10.324  20.358  1   22.62   ? 113 TYR   A HE2  1 c 1 
ATOM   1437 H HH   . TYR   A 1 101 ? -10.175 12.687  18.087  0   30      ? 113 TYR   A HH   1 c 1 
ATOM   1438 N N    . GLY   A 1 102 ? -14.06  4.744   20.334  1   25.946  ? 114 GLY   A N    1 ? 1 
ATOM   1439 C CA   . GLY   A 1 102 ? -14.971 3.621   20.247  1   28.164  ? 114 GLY   A CA   1 ? 1 
ATOM   1440 C C    . GLY   A 1 102 ? -14.329 2.414   19.578  1   27.266  ? 114 GLY   A C    1 ? 1 
ATOM   1441 O O    . GLY   A 1 102 ? -13.111 2.327   19.417  1   26.249  ? 114 GLY   A O    1 ? 1 
ATOM   1442 H H    . GLY   A 1 102 ? -13.739 4.99    21.154  1   25.821  ? 114 GLY   A H    1 c 1 
ATOM   1443 H HA2  . GLY   A 1 102 ? -15.265 3.375   21.155  1   27.345  ? 114 GLY   A HA2  1 c 1 
ATOM   1444 H HA3  . GLY   A 1 102 ? -15.768 3.894   19.735  1   27.987  ? 114 GLY   A HA3  1 c 1 
ATOM   1445 N N    . SER   A 1 103 ? -15.19  1.488   19.18   1   30.413  ? 115 SER   A N    1 ? 1 
ATOM   1446 C CA   . SER   A 1 103 ? -14.722 0.297   18.508  1   29.548  ? 115 SER   A CA   1 ? 1 
ATOM   1447 C C    . SER   A 1 103 ? -14.308 0.565   17.047  1   29.51   ? 115 SER   A C    1 ? 1 
ATOM   1448 O O    . SER   A 1 103 ? -13.53  -0.213  16.497  1   28.13   ? 115 SER   A O    1 ? 1 
ATOM   1449 C CB   . SER   A 1 103 ? -15.773 -0.743  18.638  1   32.078  ? 115 SER   A CB   1 ? 1 
ATOM   1450 O OG   . SER   A 1 103 ? -16.972 -0.308  18.033  1   34.046  ? 115 SER   A OG   1 ? 1 
ATOM   1451 H H    . SER   A 1 103 ? -16.085 1.599   19.327  1   29.748  ? 115 SER   A H    1 c 1 
ATOM   1452 H HA   . SER   A 1 103 ? -13.919 -0.025  18.992  1   29.783  ? 115 SER   A HA   1 c 1 
ATOM   1453 H HB2  . SER   A 1 103 ? -15.47  -1.566  18.21   1   33.223  ? 115 SER   A HB2  1 c 1 
ATOM   1454 H HB3  . SER   A 1 103 ? -15.932 -0.927  19.584  1   31.921  ? 115 SER   A HB3  1 c 1 
ATOM   1455 H HG   . SER   A 1 103 ? -17.553 -0.946  18.092  0   30      ? 115 SER   A HG   1 c 1 
ATOM   1456 N N    . ALA   A 1 104 ? -14.805 1.629   16.366  1   27.603  ? 116 ALA   A N    1 ? 1 
ATOM   1457 C CA   . ALA   A 1 104 ? -14.327 1.941   15.037  1   29.836  ? 116 ALA   A CA   1 ? 1 
ATOM   1458 C C    . ALA   A 1 104 ? -12.884 2.451   15.046  1   26.859  ? 116 ALA   A C    1 ? 1 
ATOM   1459 O O    . ALA   A 1 104 ? -12.19  2.37    14.04   1   27.541  ? 116 ALA   A O    1 ? 1 
ATOM   1460 C CB   . ALA   A 1 104 ? -15.249 2.942   14.327  1   32.418  ? 116 ALA   A CB   1 ? 1 
ATOM   1461 H H    . ALA   A 1 104 ? -15.452 2.154   16.743  1   27.884  ? 116 ALA   A H    1 c 1 
ATOM   1462 H HA   . ALA   A 1 104 ? -14.336 1.094   14.512  1   30.73   ? 116 ALA   A HA   1 c 1 
ATOM   1463 H HB1  . ALA   A 1 104 ? -16.137 2.559   14.232  1   32.545  ? 116 ALA   A HB1  1 c 1 
ATOM   1464 H HB2  . ALA   A 1 104 ? -15.308 3.761   14.848  1   30.686  ? 116 ALA   A HB2  1 c 1 
ATOM   1465 H HB3  . ALA   A 1 104 ? -14.893 3.148   13.446  1   32.44   ? 116 ALA   A HB3  1 c 1 
ATOM   1466 N N    . GLY   A 1 105 ? -12.522 3.167   16.098  1   25.371  ? 117 GLY   A N    1 ? 1 
ATOM   1467 C CA   . GLY   A 1 105 ? -11.218 3.826   16.149  1   25.521  ? 117 GLY   A CA   1 ? 1 
ATOM   1468 C C    . GLY   A 1 105 ? -11.223 5.015   15.214  1   24.347  ? 117 GLY   A C    1 ? 1 
ATOM   1469 O O    . GLY   A 1 105 ? -12.271 5.46    14.752  1   26.149  ? 117 GLY   A O    1 ? 1 
ATOM   1470 H H    . GLY   A 1 105 ? -13.092 3.259   16.806  1   24.923  ? 117 GLY   A H    1 c 1 
ATOM   1471 H HA2  . GLY   A 1 105 ? -11.036 4.125   17.07   1   24.066  ? 117 GLY   A HA2  1 c 1 
ATOM   1472 H HA3  . GLY   A 1 105 ? -10.514 3.189   15.884  1   25.719  ? 117 GLY   A HA3  1 c 1 
ATOM   1473 N N    . SER   A 1 106 ? -10.013 5.48    14.935  1   25.985  ? 118 SER   A N    1 ? 1 
ATOM   1474 C CA   . SER   A 1 106 ? -9.795  6.596   14.044  1   27.157  ? 118 SER   A CA   1 ? 1 
ATOM   1475 C C    . SER   A 1 106 ? -8.388  6.487   13.471  1   31.345  ? 118 SER   A C    1 ? 1 
ATOM   1476 O O    . SER   A 1 106 ? -7.477  7.275   13.71   1   32.477  ? 118 SER   A O    1 ? 1 
ATOM   1477 C CB   . SER   A 1 106 ? -10.054 7.96    14.794  1   26.776  ? 118 SER   A CB   1 ? 1 
ATOM   1478 O OG   . SER   A 1 106 ? -10.057 9.01    13.857  1   27.633  ? 118 SER   A OG   1 ? 1 
ATOM   1479 H H    . SER   A 1 106 ? -9.287  5.083   15.323  1   25.694  ? 118 SER   A H    1 c 1 
ATOM   1480 H HA   . SER   A 1 106 ? -10.439 6.525   13.295  1   28.545  ? 118 SER   A HA   1 c 1 
ATOM   1481 H HB2  . SER   A 1 106 ? -10.915 7.924   15.253  1   25.942  ? 118 SER   A HB2  1 c 1 
ATOM   1482 H HB3  . SER   A 1 106 ? -9.353  8.11    15.456  1   25.959  ? 118 SER   A HB3  1 c 1 
ATOM   1483 H HG   . SER   A 1 106 ? -10.184 9.755   14.163  0   30      ? 118 SER   A HG   1 c 1 
ATOM   1484 N N    . LEU   A 1 107 ? -8.235  5.501   12.568  1   29.61   ? 119 LEU   A N    1 ? 1 
ATOM   1485 C CA   . LEU   A 1 107 ? -6.967  5.209   11.941  1   34.518  ? 119 LEU   A CA   1 ? 1 
ATOM   1486 C C    . LEU   A 1 107 ? -6.533  6.317   10.997  1   35.445  ? 119 LEU   A C    1 ? 1 
ATOM   1487 O O    . LEU   A 1 107 ? -7.346  7.025   10.381  1   38.882  ? 119 LEU   A O    1 ? 1 
ATOM   1488 C CB   . LEU   A 1 107 ? -7.133  3.891   11.201  1   35.465  ? 119 LEU   A CB   1 ? 1 
ATOM   1489 C CG   . LEU   A 1 107 ? -7.134  2.652   12.098  1   33.687  ? 119 LEU   A CG   1 ? 1 
ATOM   1490 C CD1  . LEU   A 1 107 ? -7.138  1.495   11.149  1   37.622  ? 119 LEU   A CD1  1 ? 1 
ATOM   1491 C CD2  . LEU   A 1 107 ? -5.946  2.519   13.053  1   32.828  ? 119 LEU   A CD2  1 ? 1 
ATOM   1492 H H    . LEU   A 1 107 ? -8.961  4.993   12.343  1   31.334  ? 119 LEU   A H    1 c 1 
ATOM   1493 H HA   . LEU   A 1 107 ? -6.292  5.107   12.652  1   33.096  ? 119 LEU   A HA   1 c 1 
ATOM   1494 H HB2  . LEU   A 1 107 ? -7.983  3.919   10.704  1   35.656  ? 119 LEU   A HB2  1 c 1 
ATOM   1495 H HB3  . LEU   A 1 107 ? -6.4    3.808   10.548  1   36.722  ? 119 LEU   A HB3  1 c 1 
ATOM   1496 H HG   . LEU   A 1 107 ? -7.974  2.64    12.624  1   33.178  ? 119 LEU   A HG   1 c 1 
ATOM   1497 H HD11 . LEU   A 1 107 ? -7.908  1.56    10.56   1   37.496  ? 119 LEU   A HD11 1 c 1 
ATOM   1498 H HD12 . LEU   A 1 107 ? -7.184  0.666   11.651  1   37.012  ? 119 LEU   A HD12 1 c 1 
ATOM   1499 H HD13 . LEU   A 1 107 ? -6.323  1.506   10.619  1   38.253  ? 119 LEU   A HD13 1 c 1 
ATOM   1500 H HD21 . LEU   A 1 107 ? -5.999  3.205   13.739  1   31.652  ? 119 LEU   A HD21 1 c 1 
ATOM   1501 H HD22 . LEU   A 1 107 ? -5.117  2.622   12.556  1   34.073  ? 119 LEU   A HD22 1 c 1 
ATOM   1502 H HD23 . LEU   A 1 107 ? -5.964  1.642   13.472  1   33.066  ? 119 LEU   A HD23 1 c 1 
ATOM   1503 N N    . PRO   A 1 108 ? -5.202  6.488   10.813  1   35.726  ? 120 PRO   A N    1 ? 1 
ATOM   1504 C CA   . PRO   A 1 108 ? -4.179  5.659   11.447  1   36.782  ? 120 PRO   A CA   1 ? 1 
ATOM   1505 C C    . PRO   A 1 108 ? -3.802  6.073   12.884  1   32.577  ? 120 PRO   A C    1 ? 1 
ATOM   1506 O O    . PRO   A 1 108 ? -3.138  5.324   13.571  1   37.061  ? 120 PRO   A O    1 ? 1 
ATOM   1507 C CB   . PRO   A 1 108 ? -2.986  5.88    10.535  1   38.869  ? 120 PRO   A CB   1 ? 1 
ATOM   1508 C CG   . PRO   A 1 108 ? -3.187  7.325   10.143  1   38.068  ? 120 PRO   A CG   1 ? 1 
ATOM   1509 C CD   . PRO   A 1 108 ? -4.642  7.473   9.88    1   36.915  ? 120 PRO   A CD   1 ? 1 
ATOM   1510 H HA   . PRO   A 1 108 ? -4.445  4.717   11.427  1   36.251  ? 120 PRO   A HA   1 c 1 
ATOM   1511 H HB2  . PRO   A 1 108 ? -2.143  5.753   11.012  1   38.901  ? 120 PRO   A HB2  1 c 1 
ATOM   1512 H HB3  . PRO   A 1 108 ? -3.021  5.292   9.756   1   40.102  ? 120 PRO   A HB3  1 c 1 
ATOM   1513 H HG2  . PRO   A 1 108 ? -2.908  7.922   10.866  1   37.403  ? 120 PRO   A HG2  1 c 1 
ATOM   1514 H HG3  . PRO   A 1 108 ? -2.67   7.542   9.342   1   40.05   ? 120 PRO   A HG3  1 c 1 
ATOM   1515 H HD2  . PRO   A 1 108 ? -4.958  8.374   10.088  1   36.445  ? 120 PRO   A HD2  1 c 1 
ATOM   1516 H HD3  . PRO   A 1 108 ? -4.867  7.25    8.956   1   38.484  ? 120 PRO   A HD3  1 c 1 
ATOM   1517 N N    . LYS   A 1 109 ? -4.232  7.227   13.38   1   35.589  ? 121 LYS   A N    1 ? 1 
ATOM   1518 C CA   . LYS   A 1 109 ? -3.842  7.67    14.727  1   34.398  ? 121 LYS   A CA   1 ? 1 
ATOM   1519 C C    . LYS   A 1 109 ? -4.333  6.801   15.88   1   34.069  ? 121 LYS   A C    1 ? 1 
ATOM   1520 O O    . LYS   A 1 109 ? -3.622  6.594   16.86   1   33.51   ? 121 LYS   A O    1 ? 1 
ATOM   1521 C CB   . LYS   A 1 109 ? -4.25   9.126   14.942  1   38.657  ? 121 LYS   A CB   1 ? 1 
ATOM   1522 C CG   . LYS   A 1 109 ? -3.419  10.066  14.088  1   44.179  ? 121 LYS   A CG   1 ? 1 
ATOM   1523 C CD   . LYS   A 1 109 ? -3.449  11.548  14.476  1   45.517  ? 121 LYS   A CD   1 ? 1 
ATOM   1524 C CE   . LYS   A 1 109 ? -2.859  12.308  13.294  1   52.018  ? 121 LYS   A CE   1 ? 1 
ATOM   1525 N NZ   . LYS   A 1 109 ? -3.017  13.763  13.301  1   52.454  ? 121 LYS   A NZ   1 ? 1 
ATOM   1526 H H    . LYS   A 1 109 ? -4.78   7.761   12.88   1   34.694  ? 121 LYS   A H    1 c 1 
ATOM   1527 H HA   . LYS   A 1 109 ? -2.852  7.654   14.76   1   36.361  ? 121 LYS   A HA   1 c 1 
ATOM   1528 H HB2  . LYS   A 1 109 ? -5.197  9.24    14.72   1   37.795  ? 121 LYS   A HB2  1 c 1 
ATOM   1529 H HB3  . LYS   A 1 109 ? -4.127  9.363   15.886  1   37.233  ? 121 LYS   A HB3  1 c 1 
ATOM   1530 H HG2  . LYS   A 1 109 ? -2.487  9.759   14.116  1   44.407  ? 121 LYS   A HG2  1 c 1 
ATOM   1531 H HG3  . LYS   A 1 109 ? -3.722  9.979   13.159  1   44.697  ? 121 LYS   A HG3  1 c 1 
ATOM   1532 H HD2  . LYS   A 1 109 ? -4.373  11.84   14.634  1   45.025  ? 121 LYS   A HD2  1 c 1 
ATOM   1533 H HD3  . LYS   A 1 109 ? -2.905  11.703  15.279  1   45.606  ? 121 LYS   A HD3  1 c 1 
ATOM   1534 H HE2  . LYS   A 1 109 ? -1.908  12.107  13.247  1   52.033  ? 121 LYS   A HE2  1 c 1 
ATOM   1535 H HE3  . LYS   A 1 109 ? -3.264  11.973  12.475  1   51.613  ? 121 LYS   A HE3  1 c 1 
ATOM   1536 H HZ1  . LYS   A 1 109 ? -2.76   14.096  14.104  1   51.738  ? 121 LYS   A HZ1  1 c 1 
ATOM   1537 H HZ2  . LYS   A 1 109 ? -3.883  13.976  13.153  1   51.762  ? 121 LYS   A HZ2  1 c 1 
ATOM   1538 H HZ3  . LYS   A 1 109 ? -2.505  14.129  12.649  1   54.062  ? 121 LYS   A HZ3  1 c 1 
ATOM   1539 N N    . ILE   A 1 110 ? -5.601  6.407   15.86   1   30.663  ? 122 ILE   A N    1 ? 1 
ATOM   1540 C CA   . ILE   A 1 110 ? -6.241  5.826   17.031  1   29.098  ? 122 ILE   A CA   1 ? 1 
ATOM   1541 C C    . ILE   A 1 110 ? -6.768  4.44    16.654  1   29.602  ? 122 ILE   A C    1 ? 1 
ATOM   1542 O O    . ILE   A 1 110 ? -7.669  4.342   15.793  1   27.575  ? 122 ILE   A O    1 ? 1 
ATOM   1543 C CB   . ILE   A 1 110 ? -7.438  6.672   17.548  1   27.642  ? 122 ILE   A CB   1 ? 1 
ATOM   1544 C CG1  . ILE   A 1 110 ? -7.168  8.223   17.575  1   32.189  ? 122 ILE   A CG1  1 ? 1 
ATOM   1545 C CG2  . ILE   A 1 110 ? -7.891  6.137   18.893  1   26.386  ? 122 ILE   A CG2  1 ? 1 
ATOM   1546 C CD1  . ILE   A 1 110 ? -6.047  8.65    18.509  1   30.674  ? 122 ILE   A CD1  1 ? 1 
ATOM   1547 H H    . ILE   A 1 110 ? -6.088  6.5     15.092  1   31.683  ? 122 ILE   A H    1 c 1 
ATOM   1548 H HA   . ILE   A 1 110 ? -5.585  5.741   17.746  1   28.954  ? 122 ILE   A HA   1 c 1 
ATOM   1549 H HB   . ILE   A 1 110 ? -8.176  6.53    16.924  1   28.699  ? 122 ILE   A HB   1 c 1 
ATOM   1550 H HG12 . ILE   A 1 110 ? -6.949  8.519   16.668  1   31.642  ? 122 ILE   A HG12 1 c 1 
ATOM   1551 H HG13 . ILE   A 1 110 ? -7.991  8.679   17.846  1   30.078  ? 122 ILE   A HG13 1 c 1 
ATOM   1552 H HG21 . ILE   A 1 110 ? -8.583  6.712   19.255  1   25.705  ? 122 ILE   A HG21 1 c 1 
ATOM   1553 H HG22 . ILE   A 1 110 ? -7.137  6.115   19.506  1   26.343  ? 122 ILE   A HG22 1 c 1 
ATOM   1554 H HG23 . ILE   A 1 110 ? -8.245  5.238   18.786  1   26.785  ? 122 ILE   A HG23 1 c 1 
ATOM   1555 H HD11 . ILE   A 1 110 ? -6.294  8.447   19.432  1   30.178  ? 122 ILE   A HD11 1 c 1 
ATOM   1556 H HD12 . ILE   A 1 110 ? -5.899  9.61    18.419  1   31.066  ? 122 ILE   A HD12 1 c 1 
ATOM   1557 H HD13 . ILE   A 1 110 ? -5.226  8.174   18.282  1   31.789  ? 122 ILE   A HD13 1 c 1 
ATOM   1558 N N    . PRO   A 1 111 ? -6.263  3.356   17.281  1   29.145  ? 123 PRO   A N    1 ? 1 
ATOM   1559 C CA   . PRO   A 1 111 ? -6.751  2.003   16.996  1   30.33   ? 123 PRO   A CA   1 ? 1 
ATOM   1560 C C    . PRO   A 1 111 ? -8.111  1.749   17.621  1   31.478  ? 123 PRO   A C    1 ? 1 
ATOM   1561 O O    . PRO   A 1 111 ? -8.54   2.502   18.483  1   28.606  ? 123 PRO   A O    1 ? 1 
ATOM   1562 C CB   . PRO   A 1 111 ? -5.764  1.046   17.657  1   30.249  ? 123 PRO   A CB   1 ? 1 
ATOM   1563 C CG   . PRO   A 1 111 ? -5.025  1.931   18.659  1   31.254  ? 123 PRO   A CG   1 ? 1 
ATOM   1564 C CD   . PRO   A 1 111 ? -5.212  3.39    18.312  1   31.672  ? 123 PRO   A CD   1 ? 1 
ATOM   1565 H HA   . PRO   A 1 111 ? -6.787  1.853   16.028  1   31.414  ? 123 PRO   A HA   1 c 1 
ATOM   1566 H HB2  . PRO   A 1 111 ? -6.23   0.317   18.111  1   30.976  ? 123 PRO   A HB2  1 c 1 
ATOM   1567 H HB3  . PRO   A 1 111 ? -5.147  0.671   16.999  1   32.178  ? 123 PRO   A HB3  1 c 1 
ATOM   1568 H HG2  . PRO   A 1 111 ? -5.363  1.764   19.561  1   30.401  ? 123 PRO   A HG2  1 c 1 
ATOM   1569 H HG3  . PRO   A 1 111 ? -4.072  1.714   18.652  1   31.995  ? 123 PRO   A HG3  1 c 1 
ATOM   1570 H HD2  . PRO   A 1 111 ? -5.505  3.905   19.089  1   29.603  ? 123 PRO   A HD2  1 c 1 
ATOM   1571 H HD3  . PRO   A 1 111 ? -4.39   3.779   17.956  1   31.328  ? 123 PRO   A HD3  1 c 1 
ATOM   1572 N N    . SER   A 1 112 ? -8.803  0.715   17.159  1   26.791  ? 124 SER   A N    1 ? 1 
ATOM   1573 C CA   . SER   A 1 112 ? -10.035 0.296   17.846  1   27.211  ? 124 SER   A CA   1 ? 1 
ATOM   1574 C C    . SER   A 1 112 ? -9.837  0.117   19.359  1   27.062  ? 124 SER   A C    1 ? 1 
ATOM   1575 O O    . SER   A 1 112 ? -8.838  -0.471  19.8    1   25.724  ? 124 SER   A O    1 ? 1 
ATOM   1576 C CB   . SER   A 1 112 ? -10.501 -1.009  17.177  1   29.908  ? 124 SER   A CB   1 ? 1 
ATOM   1577 O OG   . SER   A 1 112 ? -11.656 -1.571  17.798  1   29.272  ? 124 SER   A OG   1 ? 1 
ATOM   1578 H H    . SER   A 1 112 ? -8.522  0.262   16.417  1   29.368  ? 124 SER   A H    1 c 1 
ATOM   1579 H HA   . SER   A 1 112 ? -10.724 0.991   17.698  1   26.715  ? 124 SER   A HA   1 c 1 
ATOM   1580 H HB2  . SER   A 1 112 ? -10.699 -0.83   16.238  1   30.066  ? 124 SER   A HB2  1 c 1 
ATOM   1581 H HB3  . SER   A 1 112 ? -9.774  -1.659  17.208  1   30.327  ? 124 SER   A HB3  1 c 1 
ATOM   1582 H HG   . SER   A 1 112 ? -11.894 -2.261  17.439  0   30      ? 124 SER   A HG   1 c 1 
ATOM   1583 N N    . ASN   A 1 113 ? -10.874 0.505   20.115  1   26.517  ? 125 ASN   A N    1 ? 1 
ATOM   1584 C CA   . ASN   A 1 113 ? -10.969 0.246   21.544  1   31.576  ? 125 ASN   A CA   1 ? 1 
ATOM   1585 C C    . ASN   A 1 113 ? -9.805  0.826   22.349  1   30.364  ? 125 ASN   A C    1 ? 1 
ATOM   1586 O O    . ASN   A 1 113 ? -9.388  0.251   23.368  1   30.618  ? 125 ASN   A O    1 ? 1 
ATOM   1587 C CB   . ASN   A 1 113 ? -11.128 -1.247  21.778  1   31.473  ? 125 ASN   A CB   1 ? 1 
ATOM   1588 C CG   . ASN   A 1 113 ? -12.528 -1.636  21.422  1   33.947  ? 125 ASN   A CG   1 ? 1 
ATOM   1589 O OD1  . ASN   A 1 113 ? -13.43  -0.801  21.483  1   33.58   ? 125 ASN   A OD1  1 ? 1 
ATOM   1590 N ND2  . ASN   A 1 113 ? -12.734 -2.909  21.116  1   39.865  ? 125 ASN   A ND2  1 ? 1 
ATOM   1591 H H    . ASN   A 1 113 ? -11.559 0.958   19.714  1   27.273  ? 125 ASN   A H    1 c 1 
ATOM   1592 H HA   . ASN   A 1 113 ? -11.789 0.68    21.867  1   29.491  ? 125 ASN   A HA   1 c 1 
ATOM   1593 H HB2  . ASN   A 1 113 ? -10.495 -1.744  21.224  1   33.014  ? 125 ASN   A HB2  1 c 1 
ATOM   1594 H HB3  . ASN   A 1 113 ? -10.958 -1.459  22.717  1   32.243  ? 125 ASN   A HB3  1 c 1 
ATOM   1595 H HD21 . ASN   A 1 113 ? -13.53  -3.169  20.822  1   39.161  ? 125 ASN   A HD21 1 c 1 
ATOM   1596 H HD22 . ASN   A 1 113 ? -12.079 -3.501  21.206  1   39.154  ? 125 ASN   A HD22 1 c 1 
ATOM   1597 N N    . ALA   A 1 114 ? -9.287  1.963   21.907  1   26.473  ? 126 ALA   A N    1 ? 1 
ATOM   1598 C CA   . ALA   A 1 114 ? -8.149  2.594   22.555  1   25.922  ? 126 ALA   A CA   1 ? 1 
ATOM   1599 C C    . ALA   A 1 114 ? -8.59   3.321   23.839  1   24.143  ? 126 ALA   A C    1 ? 1 
ATOM   1600 O O    . ALA   A 1 114 ? -9.573  4.006   23.833  1   24.994  ? 126 ALA   A O    1 ? 1 
ATOM   1601 C CB   . ALA   A 1 114 ? -7.518  3.585   21.613  1   27.3    ? 126 ALA   A CB   1 ? 1 
ATOM   1602 H H    . ALA   A 1 114 ? -9.66   2.372   21.18   1   27.004  ? 126 ALA   A H    1 c 1 
ATOM   1603 H HA   . ALA   A 1 114 ? -7.485  1.891   22.794  1   26.878  ? 126 ALA   A HA   1 c 1 
ATOM   1604 H HB1  . ALA   A 1 114 ? -7.19   3.123   20.823  1   27.666  ? 126 ALA   A HB1  1 c 1 
ATOM   1605 H HB2  . ALA   A 1 114 ? -8.176  4.248   21.346  1   26.251  ? 126 ALA   A HB2  1 c 1 
ATOM   1606 H HB3  . ALA   A 1 114 ? -6.775  4.03    22.056  1   26.665  ? 126 ALA   A HB3  1 c 1 
ATOM   1607 N N    . THR   A 1 115 ? -7.74   3.257   24.863  1   24.322  ? 127 THR   A N    1 ? 1 
ATOM   1608 C CA   . THR   A 1 115 ? -7.892  4.089   26.06   1   26.175  ? 127 THR   A CA   1 ? 1 
ATOM   1609 C C    . THR   A 1 115 ? -6.981  5.291   25.874  1   25.178  ? 127 THR   A C    1 ? 1 
ATOM   1610 O O    . THR   A 1 115 ? -5.832  5.129   25.458  1   25.423  ? 127 THR   A O    1 ? 1 
ATOM   1611 C CB   . THR   A 1 115 ? -7.558  3.263   27.302  1   28.099  ? 127 THR   A CB   1 ? 1 
ATOM   1612 O OG1  . THR   A 1 115 ? -8.516  2.218   27.443  1   30.349  ? 127 THR   A OG1  1 ? 1 
ATOM   1613 C CG2  . THR   A 1 115 ? -7.659  4.114   28.553  1   28.816  ? 127 THR   A CG2  1 ? 1 
ATOM   1614 H H    . THR   A 1 115 ? -7.038  2.673   24.824  1   25.653  ? 127 THR   A H    1 c 1 
ATOM   1615 H HA   . THR   A 1 115 ? -8.822  4.393   26.12   1   25.218  ? 127 THR   A HA   1 c 1 
ATOM   1616 H HB   . THR   A 1 115 ? -6.652  2.878   27.226  1   29.122  ? 127 THR   A HB   1 c 1 
ATOM   1617 H HG1  . THR   A 1 115 ? -9.313  2.554   27.556  0   30      ? 127 THR   A HG1  1 c 1 
ATOM   1618 H HG21 . THR   A 1 115 ? -7.42   3.579   29.328  1   29.162  ? 127 THR   A HG21 1 c 1 
ATOM   1619 H HG22 . THR   A 1 115 ? -8.57   4.436   28.654  1   27.936  ? 127 THR   A HG22 1 c 1 
ATOM   1620 H HG23 . THR   A 1 115 ? -7.054  4.871   28.485  1   28.116  ? 127 THR   A HG23 1 c 1 
ATOM   1621 N N    . LEU   A 1 116 ? -7.451  6.506   26.246  1   22.327  ? 128 LEU   A N    1 ? 1 
ATOM   1622 C CA   . LEU   A 1 116 ? -6.698  7.727   26.082  1   25.803  ? 128 LEU   A CA   1 ? 1 
ATOM   1623 C C    . LEU   A 1 116 ? -6.465  8.384   27.44   1   24.368  ? 128 LEU   A C    1 ? 1 
ATOM   1624 O O    . LEU   A 1 116 ? -7.28   8.217   28.345  1   25.086  ? 128 LEU   A O    1 ? 1 
ATOM   1625 C CB   . LEU   A 1 116 ? -7.347  8.74    25.146  1   23.311  ? 128 LEU   A CB   1 ? 1 
ATOM   1626 C CG   . LEU   A 1 116 ? -7.069  8.567   23.643  1   31.332  ? 128 LEU   A CG   1 ? 1 
ATOM   1627 C CD1  . LEU   A 1 116 ? -7.657  7.298   23.138  1   25.238  ? 128 LEU   A CD1  1 ? 1 
ATOM   1628 C CD2  . LEU   A 1 116 ? -7.691  9.809   22.943  1   30.529  ? 128 LEU   A CD2  1 ? 1 
ATOM   1629 H H    . LEU   A 1 116 ? -8.284  6.559   26.619  1   23.26   ? 128 LEU   A H    1 c 1 
ATOM   1630 H HA   . LEU   A 1 116 ? -5.812  7.485   25.711  1   25.005  ? 128 LEU   A HA   1 c 1 
ATOM   1631 H HB2  . LEU   A 1 116 ? -8.321  8.704   25.286  1   24.919  ? 128 LEU   A HB2  1 c 1 
ATOM   1632 H HB3  . LEU   A 1 116 ? -7.048  9.64    25.413  1   25.243  ? 128 LEU   A HB3  1 c 1 
ATOM   1633 H HG   . LEU   A 1 116 ? -6.088  8.561   23.493  1   28.964  ? 128 LEU   A HG   1 c 1 
ATOM   1634 H HD11 . LEU   A 1 116 ? -7.152  6.544   23.484  1   27.356  ? 128 LEU   A HD11 1 c 1 
ATOM   1635 H HD12 . LEU   A 1 116 ? -7.623  7.288   22.166  1   27.371  ? 128 LEU   A HD12 1 c 1 
ATOM   1636 H HD13 . LEU   A 1 116 ? -8.582  7.229   23.429  1   26.589  ? 128 LEU   A HD13 1 c 1 
ATOM   1637 H HD21 . LEU   A 1 116 ? -7.258  10.617  23.267  1   30.605  ? 128 LEU   A HD21 1 c 1 
ATOM   1638 H HD22 . LEU   A 1 116 ? -8.642  9.852   23.141  1   30.248  ? 128 LEU   A HD22 1 c 1 
ATOM   1639 H HD23 . LEU   A 1 116 ? -7.565  9.738   21.982  1   31.081  ? 128 LEU   A HD23 1 c 1 
ATOM   1640 N N    . PHE   A 1 117 ? -5.366  9.108   27.498  1   22.885  ? 129 PHE   A N    1 ? 1 
ATOM   1641 C CA   . PHE   A 1 117 ? -5.009  9.872   28.686  1   23.104  ? 129 PHE   A CA   1 ? 1 
ATOM   1642 C C    . PHE   A 1 117 ? -4.733  11.305  28.264  1   22.682  ? 129 PHE   A C    1 ? 1 
ATOM   1643 O O    . PHE   A 1 117 ? -4.012  11.566  27.303  1   24.76   ? 129 PHE   A O    1 ? 1 
ATOM   1644 C CB   . PHE   A 1 117 ? -3.803  9.283   29.383  1   25.177  ? 129 PHE   A CB   1 ? 1 
ATOM   1645 C CG   . PHE   A 1 117 ? -3.317  10.181  30.526  1   29.893  ? 129 PHE   A CG   1 ? 1 
ATOM   1646 C CD1  . PHE   A 1 117 ? -2.387  11.206  30.287  1   33.82   ? 129 PHE   A CD1  1 ? 1 
ATOM   1647 C CD2  . PHE   A 1 117 ? -3.821  10.017  31.792  1   32.445  ? 129 PHE   A CD2  1 ? 1 
ATOM   1648 C CE1  . PHE   A 1 117 ? -1.957  12.025  31.331  1   37.391  ? 129 PHE   A CE1  1 ? 1 
ATOM   1649 C CE2  . PHE   A 1 117 ? -3.363  10.813  32.827  1   32.397  ? 129 PHE   A CE2  1 ? 1 
ATOM   1650 C CZ   . PHE   A 1 117 ? -2.469  11.84   32.584  1   34.001  ? 129 PHE   A CZ   1 ? 1 
ATOM   1651 H H    . PHE   A 1 117 ? -4.807  9.135   26.775  1   23.731  ? 129 PHE   A H    1 c 1 
ATOM   1652 H HA   . PHE   A 1 117 ? -5.777  9.863   29.315  1   22.863  ? 129 PHE   A HA   1 c 1 
ATOM   1653 H HB2  . PHE   A 1 117 ? -4.043  8.4     29.743  1   25.953  ? 129 PHE   A HB2  1 c 1 
ATOM   1654 H HB3  . PHE   A 1 117 ? -3.08   9.171   28.728  1   26.349  ? 129 PHE   A HB3  1 c 1 
ATOM   1655 H HD1  . PHE   A 1 117 ? -2.048  11.338  29.415  1   33.695  ? 129 PHE   A HD1  1 c 1 
ATOM   1656 H HD2  . PHE   A 1 117 ? -4.439  9.325   31.966  1   31.415  ? 129 PHE   A HD2  1 c 1 
ATOM   1657 H HE1  . PHE   A 1 117 ? -1.332  12.712  31.168  1   36.465  ? 129 PHE   A HE1  1 c 1 
ATOM   1658 H HE2  . PHE   A 1 117 ? -3.716  10.697  33.695  1   33.015  ? 129 PHE   A HE2  1 c 1 
ATOM   1659 H HZ   . PHE   A 1 117 ? -2.17   12.381  33.296  1   35.034  ? 129 PHE   A HZ   1 c 1 
ATOM   1660 N N    . PHE   A 1 118 ? -5.253  12.262  29.057  1   25.338  ? 130 PHE   A N    1 ? 1 
ATOM   1661 C CA   . PHE   A 1 118 ? -4.915  13.652  28.825  1   23.279  ? 130 PHE   A CA   1 ? 1 
ATOM   1662 C C    . PHE   A 1 118 ? -4.649  14.398  30.131  1   26.747  ? 130 PHE   A C    1 ? 1 
ATOM   1663 O O    . PHE   A 1 118 ? -5.28   14.099  31.122  1   27.329  ? 130 PHE   A O    1 ? 1 
ATOM   1664 C CB   . PHE   A 1 118 ? -6.042  14.451  28.187  1   25.473  ? 130 PHE   A CB   1 ? 1 
ATOM   1665 C CG   . PHE   A 1 118 ? -6.355  14.081  26.75   1   24.188  ? 130 PHE   A CG   1 ? 1 
ATOM   1666 C CD1  . PHE   A 1 118 ? -7.212  13.03   26.445  1   23.671  ? 130 PHE   A CD1  1 ? 1 
ATOM   1667 C CD2  . PHE   A 1 118 ? -5.745  14.787  25.704  1   25.131  ? 130 PHE   A CD2  1 ? 1 
ATOM   1668 C CE1  . PHE   A 1 118 ? -7.56   12.775  25.151  1   25.571  ? 130 PHE   A CE1  1 ? 1 
ATOM   1669 C CE2  . PHE   A 1 118 ? -6.072  14.479  24.4    1   29.326  ? 130 PHE   A CE2  1 ? 1 
ATOM   1670 C CZ   . PHE   A 1 118 ? -6.947  13.454  24.136  1   25.259  ? 130 PHE   A CZ   1 ? 1 
ATOM   1671 H H    . PHE   A 1 118 ? -5.817  12.044  29.742  1   23.78   ? 130 PHE   A H    1 c 1 
ATOM   1672 H HA   . PHE   A 1 118 ? -4.112  13.703  28.248  1   25.362  ? 130 PHE   A HA   1 c 1 
ATOM   1673 H HB2  . PHE   A 1 118 ? -6.854  14.327  28.728  1   24.147  ? 130 PHE   A HB2  1 c 1 
ATOM   1674 H HB3  . PHE   A 1 118 ? -5.806  15.405  28.221  1   25.083  ? 130 PHE   A HB3  1 c 1 
ATOM   1675 H HD1  . PHE   A 1 118 ? -7.648  12.573  27.145  1   23.791  ? 130 PHE   A HD1  1 c 1 
ATOM   1676 H HD2  . PHE   A 1 118 ? -5.154  15.498  25.893  1   26.659  ? 130 PHE   A HD2  1 c 1 
ATOM   1677 H HE1  . PHE   A 1 118 ? -8.139  12.056  24.955  1   24.624  ? 130 PHE   A HE1  1 c 1 
ATOM   1678 H HE2  . PHE   A 1 118 ? -5.669  14.952  23.689  1   28.168  ? 130 PHE   A HE2  1 c 1 
ATOM   1679 H HZ   . PHE   A 1 118 ? -7.156  13.24   23.241  1   26.381  ? 130 PHE   A HZ   1 c 1 
ATOM   1680 N N    . GLU   A 1 119 ? -3.704  15.322  30.068  1   28.46   ? 131 GLU   A N    1 ? 1 
ATOM   1681 C CA   . GLU   A 1 119 ? -3.575  16.368  31.049  1   29.778  ? 131 GLU   A CA   1 ? 1 
ATOM   1682 C C    . GLU   A 1 119 ? -4.065  17.621  30.348  1   29.663  ? 131 GLU   A C    1 ? 1 
ATOM   1683 O O    . GLU   A 1 119 ? -3.52   17.955  29.302  1   33.272  ? 131 GLU   A O    1 ? 1 
ATOM   1684 C CB   . GLU   A 1 119 ? -2.123  16.542  31.48   1   29.837  ? 131 GLU   A CB   1 ? 1 
ATOM   1685 C CG   . GLU   A 1 119 ? -1.891  17.721  32.433  1   30.965  ? 131 GLU   A CG   1 ? 1 
ATOM   1686 C CD   . GLU   A 1 119 ? -0.449  17.781  32.906  1   33.218  ? 131 GLU   A CD   1 ? 1 
ATOM   1687 O OE1  . GLU   A 1 119 ? 0.041   17.084  33.868  1   34.418  ? 131 GLU   A OE1  1 ? 1 
ATOM   1688 O OE2  . GLU   A 1 119 ? 0.287   18.511  32.198  1   38.99   ? 131 GLU   A OE2  1 ? 1 
ATOM   1689 H H    . GLU   A 1 119 ? -3.107  15.3    29.376  1   28.786  ? 131 GLU   A H    1 c 1 
ATOM   1690 H HA   . GLU   A 1 119 ? -4.152  16.164  31.826  1   28.97   ? 131 GLU   A HA   1 c 1 
ATOM   1691 H HB2  . GLU   A 1 119 ? -1.824  15.718  31.919  1   30.226  ? 131 GLU   A HB2  1 c 1 
ATOM   1692 H HB3  . GLU   A 1 119 ? -1.571  16.67   30.681  1   30.618  ? 131 GLU   A HB3  1 c 1 
ATOM   1693 H HG2  . GLU   A 1 119 ? -2.112  18.561  31.977  1   31.348  ? 131 GLU   A HG2  1 c 1 
ATOM   1694 H HG3  . GLU   A 1 119 ? -2.478  17.632  33.213  1   30.743  ? 131 GLU   A HG3  1 c 1 
ATOM   1695 N N    . ILE   A 1 120 ? -5.005  18.346  30.977  1   28.275  ? 132 ILE   A N    1 ? 1 
ATOM   1696 C CA   . ILE   A 1 120 ? -5.583  19.545  30.401  1   29.678  ? 132 ILE   A CA   1 ? 1 
ATOM   1697 C C    . ILE   A 1 120 ? -5.511  20.661  31.448  1   29.437  ? 132 ILE   A C    1 ? 1 
ATOM   1698 O O    . ILE   A 1 120 ? -5.781  20.433  32.633  1   30.833  ? 132 ILE   A O    1 ? 1 
ATOM   1699 C CB   . ILE   A 1 120 ? -7.044  19.319  30.004  1   30.671  ? 132 ILE   A CB   1 ? 1 
ATOM   1700 C CG1  . ILE   A 1 120 ? -7.261  18.086  29.1    1   25.759  ? 132 ILE   A CG1  1 ? 1 
ATOM   1701 C CG2  . ILE   A 1 120 ? -7.657  20.606  29.426  1   33.7    ? 132 ILE   A CG2  1 ? 1 
ATOM   1702 C CD1  . ILE   A 1 120 ? -8.734  17.809  28.896  1   26.674  ? 132 ILE   A CD1  1 ? 1 
ATOM   1703 H H    . ILE   A 1 120 ? -5.293  18.077  31.802  1   28.653  ? 132 ILE   A H    1 c 1 
ATOM   1704 H HA   . ILE   A 1 120 ? -5.073  19.804  29.611  1   30.032  ? 132 ILE   A HA   1 c 1 
ATOM   1705 H HB   . ILE   A 1 120 ? -7.526  19.133  30.835  1   29.678  ? 132 ILE   A HB   1 c 1 
ATOM   1706 H HG12 . ILE   A 1 120 ? -6.838  18.245  28.231  1   27.229  ? 132 ILE   A HG12 1 c 1 
ATOM   1707 H HG13 . ILE   A 1 120 ? -6.84   17.304  29.51   1   26.669  ? 132 ILE   A HG13 1 c 1 
ATOM   1708 H HG21 . ILE   A 1 120 ? -8.592  20.457  29.212  1   32.483  ? 132 ILE   A HG21 1 c 1 
ATOM   1709 H HG22 . ILE   A 1 120 ? -7.179  20.86   28.619  1   33.439  ? 132 ILE   A HG22 1 c 1 
ATOM   1710 H HG23 . ILE   A 1 120 ? -7.59   21.323  30.078  1   33.744  ? 132 ILE   A HG23 1 c 1 
ATOM   1711 H HD11 . ILE   A 1 120 ? -9.181  17.764  29.763  1   26.136  ? 132 ILE   A HD11 1 c 1 
ATOM   1712 H HD12 . ILE   A 1 120 ? -8.84   16.956  28.433  1   25.618  ? 132 ILE   A HD12 1 c 1 
ATOM   1713 H HD13 . ILE   A 1 120 ? -9.138  18.517  28.36   1   26.606  ? 132 ILE   A HD13 1 c 1 
ATOM   1714 N N    . GLU   A 1 121 ? -5.039  21.801  30.977  1   30.994  ? 133 GLU   A N    1 ? 1 
ATOM   1715 C CA   . GLU   A 1 121 ? -5.025  23.043  31.744  1   32.462  ? 133 GLU   A CA   1 ? 1 
ATOM   1716 C C    . GLU   A 1 121 ? -6.041  23.999  31.134  1   32.508  ? 133 GLU   A C    1 ? 1 
ATOM   1717 O O    . GLU   A 1 121 ? -5.908  24.41   29.964  1   35.961  ? 133 GLU   A O    1 ? 1 
ATOM   1718 C CB   . GLU   A 1 121 ? -3.621  23.661  31.711  1   34.777  ? 133 GLU   A CB   1 ? 1 
ATOM   1719 C CG   . GLU   A 1 121 ? -3.528  24.922  32.558  1   38.48   ? 133 GLU   A CG   1 ? 1 
ATOM   1720 C CD   . GLU   A 1 121 ? -2.193  25.655  32.516  1   44.176  ? 133 GLU   A CD   1 ? 1 
ATOM   1721 O OE1  . GLU   A 1 121 ? -1.189  25.219  31.867  1   45.941  ? 133 GLU   A OE1  1 ? 1 
ATOM   1722 O OE2  . GLU   A 1 121 ? -2.203  26.711  33.16   1   42.888  ? 133 GLU   A OE2  1 ? 1 
ATOM   1723 H H    . GLU   A 1 121 ? -4.701  21.817  30.128  1   31.093  ? 133 GLU   A H    1 c 1 
ATOM   1724 H HA   . GLU   A 1 121 ? -5.276  22.845  32.679  1   32.389  ? 133 GLU   A HA   1 c 1 
ATOM   1725 H HB2  . GLU   A 1 121 ? -2.974  23.001  32.038  1   34.928  ? 133 GLU   A HB2  1 c 1 
ATOM   1726 H HB3  . GLU   A 1 121 ? -3.388  23.874  30.783  1   35.387  ? 133 GLU   A HB3  1 c 1 
ATOM   1727 H HG2  . GLU   A 1 121 ? -4.225  25.548  32.269  1   38.985  ? 133 GLU   A HG2  1 c 1 
ATOM   1728 H HG3  . GLU   A 1 121 ? -3.72   24.69   33.491  1   38.608  ? 133 GLU   A HG3  1 c 1 
ATOM   1729 N N    . LEU   A 1 122 ? -7.039  24.374  31.942  1   33.097  ? 134 LEU   A N    1 ? 1 
ATOM   1730 C CA   . LEU   A 1 122 ? -8.048  25.303  31.496  1   35.285  ? 134 LEU   A CA   1 ? 1 
ATOM   1731 C C    . LEU   A 1 122 ? -7.499  26.689  31.735  1   34.836  ? 134 LEU   A C    1 ? 1 
ATOM   1732 O O    . LEU   A 1 122 ? -7.36   27.067  32.895  1   39.166  ? 134 LEU   A O    1 ? 1 
ATOM   1733 C CB   . LEU   A 1 122 ? -9.375  25.106  32.225  1   35.159  ? 134 LEU   A CB   1 ? 1 
ATOM   1734 C CG   . LEU   A 1 122 ? -10.526 25.967  31.727  1   34.69   ? 134 LEU   A CG   1 ? 1 
ATOM   1735 C CD1  . LEU   A 1 122 ? -10.745 25.908  30.235  1   34.364  ? 134 LEU   A CD1  1 ? 1 
ATOM   1736 C CD2  . LEU   A 1 122 ? -11.776 25.567  32.481  1   34.856  ? 134 LEU   A CD2  1 ? 1 
ATOM   1737 H H    . LEU   A 1 122 ? -7.09   24.04   32.791  1   33.099  ? 134 LEU   A H    1 c 1 
ATOM   1738 H HA   . LEU   A 1 122 ? -8.187  25.171  30.525  1   34.169  ? 134 LEU   A HA   1 c 1 
ATOM   1739 H HB2  . LEU   A 1 122 ? -9.635  24.16   32.14   1   33.441  ? 134 LEU   A HB2  1 c 1 
ATOM   1740 H HB3  . LEU   A 1 122 ? -9.235  25.294  33.181  1   35.337  ? 134 LEU   A HB3  1 c 1 
ATOM   1741 H HG   . LEU   A 1 122 ? -10.325 26.91   31.963  1   36.511  ? 134 LEU   A HG   1 c 1 
ATOM   1742 H HD11 . LEU   A 1 122 ? -10.001 26.334  29.778  1   35.082  ? 134 LEU   A HD11 1 c 1 
ATOM   1743 H HD12 . LEU   A 1 122 ? -11.569 26.373  30.012  1   35.097  ? 134 LEU   A HD12 1 c 1 
ATOM   1744 H HD13 . LEU   A 1 122 ? -10.81  24.981  29.952  1   33.045  ? 134 LEU   A HD13 1 c 1 
ATOM   1745 H HD21 . LEU   A 1 122 ? -11.607 25.609  33.437  1   35.059  ? 134 LEU   A HD21 1 c 1 
ATOM   1746 H HD22 . LEU   A 1 122 ? -12.025 24.66   32.237  1   33.416  ? 134 LEU   A HD22 1 c 1 
ATOM   1747 H HD23 . LEU   A 1 122 ? -12.501 26.174  32.254  1   35.573  ? 134 LEU   A HD23 1 c 1 
ATOM   1748 N N    . LEU   A 1 123 ? -7.258  27.41   30.64   1   40.091  ? 135 LEU   A N    1 ? 1 
ATOM   1749 C CA   . LEU   A 1 123 ? -6.636  28.728  30.688  1   40.316  ? 135 LEU   A CA   1 ? 1 
ATOM   1750 C C    . LEU   A 1 123 ? -7.703  29.815  30.838  1   44.997  ? 135 LEU   A C    1 ? 1 
ATOM   1751 O O    . LEU   A 1 123 ? -7.474  30.785  31.554  1   46.922  ? 135 LEU   A O    1 ? 1 
ATOM   1752 C CB   . LEU   A 1 123 ? -5.821  28.928  29.406  1   42.309  ? 135 LEU   A CB   1 ? 1 
ATOM   1753 C CG   . LEU   A 1 123 ? -4.728  27.895  29.105  1   44.822  ? 135 LEU   A CG   1 ? 1 
ATOM   1754 C CD1  . LEU   A 1 123 ? -4.155  28.035  27.713  1   44.377  ? 135 LEU   A CD1  1 ? 1 
ATOM   1755 C CD2  . LEU   A 1 123 ? -3.596  28.019  30.134  1   49.05   ? 135 LEU   A CD2  1 ? 1 
ATOM   1756 H H    . LEU   A 1 123 ? -7.491  27.069  29.825  1   37.837  ? 135 LEU   A H    1 c 1 
ATOM   1757 H HA   . LEU   A 1 123 ? -6.029  28.765  31.471  1   42.04   ? 135 LEU   A HA   1 c 1 
ATOM   1758 H HB2  . LEU   A 1 123 ? -6.448  28.944  28.646  1   42.524  ? 135 LEU   A HB2  1 c 1 
ATOM   1759 H HB3  . LEU   A 1 123 ? -5.4    29.818  29.449  1   44.713  ? 135 LEU   A HB3  1 c 1 
ATOM   1760 H HG   . LEU   A 1 123 ? -5.123  26.989  29.187  1   42.596  ? 135 LEU   A HG   1 c 1 
ATOM   1761 H HD11 . LEU   A 1 123 ? -4.871  27.971  27.059  1   44.271  ? 135 LEU   A HD11 1 c 1 
ATOM   1762 H HD12 . LEU   A 1 123 ? -3.51   27.327  27.556  1   44.17   ? 135 LEU   A HD12 1 c 1 
ATOM   1763 H HD13 . LEU   A 1 123 ? -3.716  28.898  27.628  1   46.72   ? 135 LEU   A HD13 1 c 1 
ATOM   1764 H HD21 . LEU   A 1 123 ? -3.939  27.825  31.022  1   47.421  ? 135 LEU   A HD21 1 c 1 
ATOM   1765 H HD22 . LEU   A 1 123 ? -3.238  28.923  30.116  1   49.982  ? 135 LEU   A HD22 1 c 1 
ATOM   1766 H HD23 . LEU   A 1 123 ? -2.889  27.388  29.916  1   47.673  ? 135 LEU   A HD23 1 c 1 
ATOM   1767 N N    . ASP   A 1 124 ? -8.824  29.687  30.111  1   43.293  ? 136 ASP   A N    1 ? 1 
ATOM   1768 C CA   . ASP   A 1 124 ? -9.845  30.718  30.062  1   45.901  ? 136 ASP   A CA   1 ? 1 
ATOM   1769 C C    . ASP   A 1 124 ? -11.082 30.165  29.362  1   47.079  ? 136 ASP   A C    1 ? 1 
ATOM   1770 O O    . ASP   A 1 124 ? -11.02  29.119  28.729  1   44.906  ? 136 ASP   A O    1 ? 1 
ATOM   1771 C CB   . ASP   A 1 124 ? -9.403  31.943  29.276  1   49.177  ? 136 ASP   A CB   1 ? 1 
ATOM   1772 C CG   . ASP   A 1 124 ? -10.082 33.261  29.652  1   52.267  ? 136 ASP   A CG   1 ? 1 
ATOM   1773 O OD1  . ASP   A 1 124 ? -10.917 33.283  30.607  1   52.16   ? 136 ASP   A OD1  1 ? 1 
ATOM   1774 O OD2  . ASP   A 1 124 ? -9.741  34.27   29.017  1   55.753  ? 136 ASP   A OD2  1 ? 1 
ATOM   1775 H H    . ASP   A 1 124 ? -8.948  28.928  29.618  1   42.308  ? 136 ASP   A H    1 c 1 
ATOM   1776 H HA   . ASP   A 1 124 ? -10.08  30.973  30.983  1   46.747  ? 136 ASP   A HA   1 c 1 
ATOM   1777 H HB2  . ASP   A 1 124 ? -8.438  32.063  29.395  1   49.638  ? 136 ASP   A HB2  1 c 1 
ATOM   1778 H HB3  . ASP   A 1 124 ? -9.564  31.783  28.322  1   48.915  ? 136 ASP   A HB3  1 c 1 
ATOM   1779 N N    . PHE   A 1 125 ? -12.199 30.881  29.496  1   47.715  ? 137 PHE   A N    1 ? 1 
ATOM   1780 C CA   . PHE   A 1 125 ? -13.387 30.577  28.731  1   44.347  ? 137 PHE   A CA   1 ? 1 
ATOM   1781 C C    . PHE   A 1 125 ? -14.246 31.828  28.661  1   48.927  ? 137 PHE   A C    1 ? 1 
ATOM   1782 O O    . PHE   A 1 125 ? -14.222 32.653  29.582  1   50.943  ? 137 PHE   A O    1 ? 1 
ATOM   1783 C CB   . PHE   A 1 125 ? -14.121 29.399  29.359  1   42.661  ? 137 PHE   A CB   1 ? 1 
ATOM   1784 C CG   . PHE   A 1 125 ? -14.456 29.508  30.84   1   44.14   ? 137 PHE   A CG   1 ? 1 
ATOM   1785 C CD1  . PHE   A 1 125 ? -13.574 29.03   31.792  1   46.374  ? 137 PHE   A CD1  1 ? 1 
ATOM   1786 C CD2  . PHE   A 1 125 ? -15.679 29.999  31.275  1   44.633  ? 137 PHE   A CD2  1 ? 1 
ATOM   1787 C CE1  . PHE   A 1 125 ? -13.874 29.087  33.151  1   48.766  ? 137 PHE   A CE1  1 ? 1 
ATOM   1788 C CE2  . PHE   A 1 125 ? -15.99  30.024  32.635  1   45.569  ? 137 PHE   A CE2  1 ? 1 
ATOM   1789 C CZ   . PHE   A 1 125 ? -15.082 29.59   33.568  1   47.913  ? 137 PHE   A CZ   1 ? 1 
ATOM   1790 H H    . PHE   A 1 125 ? -12.223 31.571  30.096  1   48.526  ? 137 PHE   A H    1 c 1 
ATOM   1791 H HA   . PHE   A 1 125 ? -13.112 30.326  27.811  1   44.96   ? 137 PHE   A HA   1 c 1 
ATOM   1792 H HB2  . PHE   A 1 125 ? -14.957 29.263  28.862  1   42.913  ? 137 PHE   A HB2  1 c 1 
ATOM   1793 H HB3  . PHE   A 1 125 ? -13.574 28.594  29.224  1   41.255  ? 137 PHE   A HB3  1 c 1 
ATOM   1794 H HD1  . PHE   A 1 125 ? -12.739 28.686  31.516  1   45.1    ? 137 PHE   A HD1  1 c 1 
ATOM   1795 H HD2  . PHE   A 1 125 ? -16.312 30.301  30.644  1   45.878  ? 137 PHE   A HD2  1 c 1 
ATOM   1796 H HE1  . PHE   A 1 125 ? -13.249 28.775  33.785  1   47.17   ? 137 PHE   A HE1  1 c 1 
ATOM   1797 H HE2  . PHE   A 1 125 ? -16.815 30.386  32.918  1   47.484  ? 137 PHE   A HE2  1 c 1 
ATOM   1798 H HZ   . PHE   A 1 125 ? -15.291 29.626  34.488  1   48.071  ? 137 PHE   A HZ   1 c 1 
ATOM   1799 N N    . LYS   A 1 126 ? -14.972 31.963  27.544  1   49.767  ? 138 LYS   A N    1 ? 1 
ATOM   1800 C CA   . LYS   A 1 126 ? -15.724 33.163  27.234  1   52.44   ? 138 LYS   A CA   1 ? 1 
ATOM   1801 C C    . LYS   A 1 126 ? -17.084 32.717  26.709  1   52.53   ? 138 LYS   A C    1 ? 1 
ATOM   1802 O O    . LYS   A 1 126 ? -17.163 31.806  25.907  1   47.117  ? 138 LYS   A O    1 ? 1 
ATOM   1803 C CB   . LYS   A 1 126 ? -14.953 34.077  26.26   1   55.225  ? 138 LYS   A CB   1 ? 1 
ATOM   1804 H H    . LYS   A 1 126 ? -14.999 31.269  26.95   1   48.373  ? 138 LYS   A H    1 c 1 
ATOM   1805 H HA   . LYS   A 1 126 ? -15.866 33.666  28.076  1   53.704  ? 138 LYS   A HA   1 c 1 
ATOM   1806 H HB2  . LYS   A 1 126 ? -14.063 33.937  26.344  0   30      ? 138 LYS   A HB2  1 c 1 
ATOM   1807 H HB3  . LYS   A 1 126 ? -15.716 34.503  25.711  0   30      ? 138 LYS   A HB3  1 c 1 
ATOM   1808 N N    . GLY   A 1 127 ? -18.155 33.345  27.213  1   59.633  ? 139 GLY   A N    1 ? 1 
ATOM   1809 C CA   . GLY   A 1 127 ? -19.482 33.176  26.646  1   62.434  ? 139 GLY   A CA   1 ? 1 
ATOM   1810 C C    . GLY   A 1 127 ? -19.504 33.756  25.235  1   69.109  ? 139 GLY   A C    1 ? 1 
ATOM   1811 O O    . GLY   A 1 127 ? -19.287 34.958  25.091  1   73.52   ? 139 GLY   A O    1 ? 1 
ATOM   1812 H H    . GLY   A 1 127 ? -18.054 33.898  27.933  1   59.65   ? 139 GLY   A H    1 c 1 
ATOM   1813 H HA2  . GLY   A 1 127 ? -19.711 32.219  26.622  1   60.985  ? 139 GLY   A HA2  1 c 1 
ATOM   1814 H HA3  . GLY   A 1 127 ? -20.143 33.64   27.211  1   64.438  ? 139 GLY   A HA3  1 c 1 
ATOM   1815 N N    . GLU   A 1 128 ? -19.663 32.872  24.227  1   70.651  ? 140 GLU   A N    1 ? 1 
ATOM   1816 C CA   . GLU   A 1 128 ? -19.996 33.258  22.861  1   72.776  ? 140 GLU   A CA   1 ? 1 
ATOM   1817 C C    . GLU   A 1 128 ? -21.48  33.698  22.83   1   82.217  ? 140 GLU   A C    1 ? 1 
ATOM   1818 O O    . GLU   A 1 128 ? -22.343 32.819  22.543  1   83.273  ? 140 GLU   A O    1 ? 1 
ATOM   1819 C CB   . GLU   A 1 128 ? -19.678 32.135  21.866  1   67.802  ? 140 GLU   A CB   1 ? 1 
ATOM   1820 O OXT  . GLU   A 1 128 ? -21.738 34.912  23.118  1   79.6    ? 140 GLU   A OXT  1 ? 1 
ATOM   1821 H H    . GLU   A 1 128 ? -19.555 31.983  24.41   1   67.668  ? 140 GLU   A H    1 c 1 
ATOM   1822 H HA   . GLU   A 1 128 ? -19.438 34.041  22.621  1   74.845  ? 140 GLU   A HA   1 c 1 
ATOM   1823 H HB2  . GLU   A 1 128 ? -18.666 32.005  21.792  0   30      ? 140 GLU   A HB2  1 c 1 
ATOM   1824 H HB3  . GLU   A 1 128 ? -20.481 31.71   21.533  0   30      ? 140 GLU   A HB3  1 c 1 
ATOM   1825 N N    . GLY   B 1 1   ? -16.039 -15.7   -6.414  1   62.44   ? 13  GLY   B N    1 ? 2 
ATOM   1826 C CA   . GLY   B 1 1   ? -16.978 -15.196 -5.392  1   60.277  ? 13  GLY   B CA   1 ? 2 
ATOM   1827 C C    . GLY   B 1 1   ? -17.142 -13.686 -5.558  1   57.81   ? 13  GLY   B C    1 ? 2 
ATOM   1828 O O    . GLY   B 1 1   ? -16.499 -13.087 -6.413  1   59.36   ? 13  GLY   B O    1 ? 2 
ATOM   1829 H H1   . GLY   B 1 1   ? -16.043 -16.605 -6.417  1   64.334  ? 13  GLY   B H1   1 c 2 
ATOM   1830 H H2   . GLY   B 1 1   ? -15.201 -15.413 -6.232  1   61.022  ? 13  GLY   B H2   1 c 2 
ATOM   1831 H H3   . GLY   B 1 1   ? -16.28  -15.405 -7.235  1   63.763  ? 13  GLY   B H3   1 c 2 
ATOM   1832 H HA2  . GLY   B 1 1   ? -17.85  -15.641 -5.498  1   62.08   ? 13  GLY   B HA2  1 c 2 
ATOM   1833 H HA3  . GLY   B 1 1   ? -16.632 -15.403 -4.493  1   58.839  ? 13  GLY   B HA3  1 c 2 
ATOM   1834 N N    . ALA   B 1 2   ? -18.037 -13.093 -4.771  1   55.772  ? 14  ALA   B N    1 ? 2 
ATOM   1835 C CA   . ALA   B 1 2   ? -18.283 -11.662 -4.859  1   53.517  ? 14  ALA   B CA   1 ? 2 
ATOM   1836 C C    . ALA   B 1 2   ? -16.995 -10.89  -4.571  1   50.387  ? 14  ALA   B C    1 ? 2 
ATOM   1837 O O    . ALA   B 1 2   ? -16.648 -9.97   -5.334  1   50.193  ? 14  ALA   B O    1 ? 2 
ATOM   1838 C CB   . ALA   B 1 2   ? -19.404 -11.274 -3.908  1   53.795  ? 14  ALA   B CB   1 ? 2 
ATOM   1839 H H    . ALA   B 1 2   ? -18.507 -13.589 -4.164  1   56.087  ? 14  ALA   B H    1 c 2 
ATOM   1840 H HA   . ALA   B 1 2   ? -18.565 -11.454 -5.792  1   55.392  ? 14  ALA   B HA   1 c 2 
ATOM   1841 H HB1  . ALA   B 1 2   ? -20.217 -11.748 -4.151  1   55.475  ? 14  ALA   B HB1  1 c 2 
ATOM   1842 H HB2  . ALA   B 1 2   ? -19.159 -11.504 -2.997  1   52.084  ? 14  ALA   B HB2  1 c 2 
ATOM   1843 H HB3  . ALA   B 1 2   ? -19.563 -10.316 -3.965  1   52.26   ? 14  ALA   B HB3  1 c 2 
ATOM   1844 N N    . PRO   B 1 3   ? -16.236 -11.221 -3.492  1   48.533  ? 15  PRO   B N    1 ? 2 
ATOM   1845 C CA   . PRO   B 1 3   ? -15.005 -10.484 -3.189  1   46.785  ? 15  PRO   B CA   1 ? 2 
ATOM   1846 C C    . PRO   B 1 3   ? -14.051 -10.519 -4.373  1   47.692  ? 15  PRO   B C    1 ? 2 
ATOM   1847 O O    . PRO   B 1 3   ? -13.428 -9.534  -4.727  1   49.665  ? 15  PRO   B O    1 ? 2 
ATOM   1848 C CB   . PRO   B 1 3   ? -14.39  -11.206 -1.977  1   44.034  ? 15  PRO   B CB   1 ? 2 
ATOM   1849 C CG   . PRO   B 1 3   ? -15.609 -11.907 -1.385  1   47.645  ? 15  PRO   B CG   1 ? 2 
ATOM   1850 C CD   . PRO   B 1 3   ? -16.448 -12.337 -2.553  1   50.415  ? 15  PRO   B CD   1 ? 2 
ATOM   1851 H HA   . PRO   B 1 3   ? -15.221 -9.556  -2.959  1   44.807  ? 15  PRO   B HA   1 c 2 
ATOM   1852 H HB2  . PRO   B 1 3   ? -13.711 -11.852 -2.255  1   46.117  ? 15  PRO   B HB2  1 c 2 
ATOM   1853 H HB3  . PRO   B 1 3   ? -14.003 -10.57  -1.344  1   43.206  ? 15  PRO   B HB3  1 c 2 
ATOM   1854 H HG2  . PRO   B 1 3   ? -15.338 -12.683 -0.855  1   47.412  ? 15  PRO   B HG2  1 c 2 
ATOM   1855 H HG3  . PRO   B 1 3   ? -16.113 -11.296 -0.811  1   45.703  ? 15  PRO   B HG3  1 c 2 
ATOM   1856 H HD2  . PRO   B 1 3   ? -16.134 -13.178 -2.93   1   51.876  ? 15  PRO   B HD2  1 c 2 
ATOM   1857 H HD3  . PRO   B 1 3   ? -17.387 -12.419 -2.306  1   50.587  ? 15  PRO   B HD3  1 c 2 
ATOM   1858 N N    . ALA   B 1 4   ? -13.944 -11.677 -4.991  1   47.251  ? 16  ALA   B N    1 ? 2 
ATOM   1859 C CA   . ALA   B 1 4   ? -13.108 -11.846 -6.175  1   49.895  ? 16  ALA   B CA   1 ? 2 
ATOM   1860 C C    . ALA   B 1 4   ? -13.497 -10.957 -7.361  1   50.333  ? 16  ALA   B C    1 ? 2 
ATOM   1861 O O    . ALA   B 1 4   ? -12.621 -10.457 -8.063  1   50.696  ? 16  ALA   B O    1 ? 2 
ATOM   1862 C CB   . ALA   B 1 4   ? -13.183 -13.285 -6.616  1   53.915  ? 16  ALA   B CB   1 ? 2 
ATOM   1863 H H    . ALA   B 1 4   ? -14.395 -12.402 -4.665  1   48.743  ? 16  ALA   B H    1 c 2 
ATOM   1864 H HA   . ALA   B 1 4   ? -12.168 -11.632 -5.923  1   48.967  ? 16  ALA   B HA   1 c 2 
ATOM   1865 H HB1  . ALA   B 1 4   ? -12.95  -13.868 -5.874  1   53.21   ? 16  ALA   B HB1  1 c 2 
ATOM   1866 H HB2  . ALA   B 1 4   ? -14.083 -13.49  -6.915  1   54.926  ? 16  ALA   B HB2  1 c 2 
ATOM   1867 H HB3  . ALA   B 1 4   ? -12.561 -13.435 -7.348  1   55.412  ? 16  ALA   B HB3  1 c 2 
ATOM   1868 N N    . THR   B 1 5   ? -14.81  -10.868 -7.638  1   50.335  ? 17  THR   B N    1 ? 2 
ATOM   1869 C CA   . THR   B 1 5   ? -15.402 -10.008 -8.669  1   50.873  ? 17  THR   B CA   1 ? 2 
ATOM   1870 C C    . THR   B 1 5   ? -15.045 -8.545  -8.381  1   48.292  ? 17  THR   B C    1 ? 2 
ATOM   1871 O O    . THR   B 1 5   ? -14.841 -7.728  -9.281  1   50.495  ? 17  THR   B O    1 ? 2 
ATOM   1872 C CB   . THR   B 1 5   ? -16.924 -10.251 -8.67   1   51.114  ? 17  THR   B CB   1 ? 2 
ATOM   1873 O OG1  . THR   B 1 5   ? -17.162 -11.628 -9.013  1   52.972  ? 17  THR   B OG1  1 ? 2 
ATOM   1874 C CG2  . THR   B 1 5   ? -17.685 -9.354  -9.64   1   52.508  ? 17  THR   B CG2  1 ? 2 
ATOM   1875 H H    . THR   B 1 5   ? -15.38  -11.385 -7.144  1   50.245  ? 17  THR   B H    1 c 2 
ATOM   1876 H HA   . THR   B 1 5   ? -15.035 -10.265 -9.543  1   53.184  ? 17  THR   B HA   1 c 2 
ATOM   1877 H HB   . THR   B 1 5   ? -17.274 -10.084 -7.762  1   49.023  ? 17  THR   B HB   1 c 2 
ATOM   1878 H HG1  . THR   B 1 5   ? -16.769 -11.737 -9.721  0   30      ? 17  THR   B HG1  1 c 2 
ATOM   1879 H HG21 . THR   B 1 5   ? -18.618 -9.627  -9.67   1   53.813  ? 17  THR   B HG21 1 c 2 
ATOM   1880 H HG22 . THR   B 1 5   ? -17.297 -9.432  -10.527 1   54.677  ? 17  THR   B HG22 1 c 2 
ATOM   1881 H HG23 . THR   B 1 5   ? -17.63  -8.431  -9.342  1   50.722  ? 17  THR   B HG23 1 c 2 
ATOM   1882 N N    . VAL   B 1 6   ? -15.01  -8.2    -7.104  1   46.699  ? 18  VAL   B N    1 ? 2 
ATOM   1883 C CA   . VAL   B 1 6   ? -14.666 -6.837  -6.734  1   44.193  ? 18  VAL   B CA   1 ? 2 
ATOM   1884 C C    . VAL   B 1 6   ? -13.186 -6.586  -6.981  1   43.473  ? 18  VAL   B C    1 ? 2 
ATOM   1885 O O    . VAL   B 1 6   ? -12.832 -5.553  -7.532  1   45.429  ? 18  VAL   B O    1 ? 2 
ATOM   1886 C CB   . VAL   B 1 6   ? -15.024 -6.491  -5.296  1   40.96   ? 18  VAL   B CB   1 ? 2 
ATOM   1887 C CG1  . VAL   B 1 6   ? -14.483 -5.107  -4.955  1   39.257  ? 18  VAL   B CG1  1 ? 2 
ATOM   1888 C CG2  . VAL   B 1 6   ? -16.533 -6.555  -5.078  1   43.392  ? 18  VAL   B CG2  1 ? 2 
ATOM   1889 H H    . VAL   B 1 6   ? -15.212 -8.805  -6.451  1   45.671  ? 18  VAL   B H    1 c 2 
ATOM   1890 H HA   . VAL   B 1 6   ? -15.166 -6.237  -7.311  1   44.923  ? 18  VAL   B HA   1 c 2 
ATOM   1891 H HB   . VAL   B 1 6   ? -14.59  -7.154  -4.711  1   40.858  ? 18  VAL   B HB   1 c 2 
ATOM   1892 H HG11 . VAL   B 1 6   ? -14.746 -4.475  -5.646  1   40.114  ? 18  VAL   B HG11 1 c 2 
ATOM   1893 H HG12 . VAL   B 1 6   ? -13.513 -5.138  -4.897  1   38.966  ? 18  VAL   B HG12 1 c 2 
ATOM   1894 H HG13 . VAL   B 1 6   ? -14.847 -4.819  -4.101  1   37.652  ? 18  VAL   B HG13 1 c 2 
ATOM   1895 H HG21 . VAL   B 1 6   ? -16.735 -6.359  -4.147  1   41.07   ? 18  VAL   B HG21 1 c 2 
ATOM   1896 H HG22 . VAL   B 1 6   ? -16.857 -7.444  -5.297  1   44.212  ? 18  VAL   B HG22 1 c 2 
ATOM   1897 H HG23 . VAL   B 1 6   ? -16.973 -5.902  -5.648  1   43.479  ? 18  VAL   B HG23 1 c 2 
ATOM   1898 N N    . THR   B 1 7   ? -12.312 -7.502  -6.566  1   45.442  ? 19  THR   B N    1 ? 2 
ATOM   1899 C CA   . THR   B 1 7   ? -10.91  -7.423  -6.973  1   48.11   ? 19  THR   B CA   1 ? 2 
ATOM   1900 C C    . THR   B 1 7   ? -10.849 -7.239  -8.484  1   48.156  ? 19  THR   B C    1 ? 2 
ATOM   1901 O O    . THR   B 1 7   ? -10.12  -6.384  -9.012  1   50.412  ? 19  THR   B O    1 ? 2 
ATOM   1902 C CB   . THR   B 1 7   ? -10.142 -8.673  -6.542  1   48.965  ? 19  THR   B CB   1 ? 2 
ATOM   1903 O OG1  . THR   B 1 7   ? -10.176 -8.648  -5.127  1   45.451  ? 19  THR   B OG1  1 ? 2 
ATOM   1904 C CG2  . THR   B 1 7   ? -8.729  -8.748  -7.104  1   51.264  ? 19  THR   B CG2  1 ? 2 
ATOM   1905 H H    . THR   B 1 7   ? -12.584 -8.186  -6.023  1   44.887  ? 19  THR   B H    1 c 2 
ATOM   1906 H HA   . THR   B 1 7   ? -10.504 -6.64   -6.541  1   45.77   ? 19  THR   B HA   1 c 2 
ATOM   1907 H HB   . THR   B 1 7   ? -10.633 -9.469  -6.856  1   50.201  ? 19  THR   B HB   1 c 2 
ATOM   1908 H HG1  . THR   B 1 7   ? -9.843  -8.058  -4.805  0   30      ? 19  THR   B HG1  1 c 2 
ATOM   1909 H HG21 . THR   B 1 7   ? -8.274  -9.522  -6.731  1   51.455  ? 19  THR   B HG21 1 c 2 
ATOM   1910 H HG22 . THR   B 1 7   ? -8.241  -7.942  -6.866  1   50.151  ? 19  THR   B HG22 1 c 2 
ATOM   1911 H HG23 . THR   B 1 7   ? -8.764  -8.832  -8.071  1   53.359  ? 19  THR   B HG23 1 c 2 
ATOM   1912 N N    . GLU   B 1 8   ? -11.65  -8.047  -9.198  1   51.292  ? 20  GLU   B N    1 ? 2 
ATOM   1913 C CA   . GLU   B 1 8   ? -11.556 -8.077  -10.659 1   53.427  ? 20  GLU   B CA   1 ? 2 
ATOM   1914 C C    . GLU   B 1 8   ? -12.123 -6.795  -11.313 1   56.121  ? 20  GLU   B C    1 ? 2 
ATOM   1915 O O    . GLU   B 1 8   ? -11.535 -6.293  -12.267 1   57.436  ? 20  GLU   B O    1 ? 2 
ATOM   1916 C CB   . GLU   B 1 8   ? -12.107 -9.42   -11.196 1   54.646  ? 20  GLU   B CB   1 ? 2 
ATOM   1917 H H    . GLU   B 1 8   ? -12.251 -8.59   -8.776  1   50.2    ? 20  GLU   B H    1 c 2 
ATOM   1918 H HA   . GLU   B 1 8   ? -10.59  -8.097  -10.881 1   54.702  ? 20  GLU   B HA   1 c 2 
ATOM   1919 H HB2  . GLU   B 1 8   ? -11.241 -9.923  -11.44  0   30      ? 20  GLU   B HB2  1 c 2 
ATOM   1920 H HB3  . GLU   B 1 8   ? -13     -9.374  -11.211 0   30      ? 20  GLU   B HB3  1 c 2 
ATOM   1921 N N    . GLN   B 1 9   ? -13.306 -6.315  -10.901 1   53.816  ? 21  GLN   B N    1 ? 2 
ATOM   1922 C CA   . GLN   B 1 9   ? -14.027 -5.312  -11.689 1   61.144  ? 21  GLN   B CA   1 ? 2 
ATOM   1923 C C    . GLN   B 1 9   ? -14.116 -3.979  -10.943 1   53.54   ? 21  GLN   B C    1 ? 2 
ATOM   1924 O O    . GLN   B 1 9   ? -14.391 -2.963  -11.58  1   55.194  ? 21  GLN   B O    1 ? 2 
ATOM   1925 C CB   . GLN   B 1 9   ? -15.482 -5.618  -12.105 1   64.507  ? 21  GLN   B CB   1 ? 2 
ATOM   1926 C CG   . GLN   B 1 9   ? -15.698 -6.951  -12.805 1   71.125  ? 21  GLN   B CG   1 ? 2 
ATOM   1927 C CD   . GLN   B 1 9   ? -14.857 -7.059  -14.049 1   74.649  ? 21  GLN   B CD   1 ? 2 
ATOM   1928 O OE1  . GLN   B 1 9   ? -14.797 -6.122  -14.855 1   81.163  ? 21  GLN   B OE1  1 ? 2 
ATOM   1929 N NE2  . GLN   B 1 9   ? -14.17  -8.186  -14.189 1   81.115  ? 21  GLN   B NE2  1 ? 2 
ATOM   1930 H H    . GLN   B 1 9   ? -13.685 -6.636  -10.134 1   53.453  ? 21  GLN   B H    1 c 2 
ATOM   1931 H HA   . GLN   B 1 9   ? -13.516 -5.153  -12.522 1   61.471  ? 21  GLN   B HA   1 c 2 
ATOM   1932 H HB2  . GLN   B 1 9   ? -16.043 -5.594  -11.302 1   62.699  ? 21  GLN   B HB2  1 c 2 
ATOM   1933 H HB3  . GLN   B 1 9   ? -15.791 -4.901  -12.698 1   66.065  ? 21  GLN   B HB3  1 c 2 
ATOM   1934 H HG2  . GLN   B 1 9   ? -15.47  -7.682  -12.192 1   69.243  ? 21  GLN   B HG2  1 c 2 
ATOM   1935 H HG3  . GLN   B 1 9   ? -16.644 -7.044  -13.047 1   71.579  ? 21  GLN   B HG3  1 c 2 
ATOM   1936 H HE21 . GLN   B 1 9   ? -13.615 -8.279  -14.876 1   81.752  ? 21  GLN   B HE21 1 c 2 
ATOM   1937 H HE22 . GLN   B 1 9   ? -14.26  -8.845  -13.602 1   78.358  ? 21  GLN   B HE22 1 c 2 
ATOM   1938 N N    . GLY   B 1 10  ? -13.953 -4      -9.612  1   49.619  ? 22  GLY   B N    1 ? 2 
ATOM   1939 C CA   . GLY   B 1 10  ? -14.204 -2.852  -8.728  1   46.971  ? 22  GLY   B CA   1 ? 2 
ATOM   1940 C C    . GLY   B 1 10  ? -13.419 -1.576  -9.056  1   49.241  ? 22  GLY   B C    1 ? 2 
ATOM   1941 O O    . GLY   B 1 10  ? -12.234 -1.618  -9.341  1   45.765  ? 22  GLY   B O    1 ? 2 
ATOM   1942 H H    . GLY   B 1 10  ? -13.663 -4.775  -9.224  1   49.264  ? 22  GLY   B H    1 c 2 
ATOM   1943 H HA2  . GLY   B 1 10  ? -15.164 -2.648  -8.76   1   47.549  ? 22  GLY   B HA2  1 c 2 
ATOM   1944 H HA3  . GLY   B 1 10  ? -13.994 -3.122  -7.803  1   45.388  ? 22  GLY   B HA3  1 c 2 
ATOM   1945 N N    . GLU   B 1 11  ? -14.118 -0.441  -8.899  1   46.781  ? 23  GLU   B N    1 ? 2 
ATOM   1946 C CA   . GLU   B 1 11  ? -13.55  0.888   -9.052  1   47.469  ? 23  GLU   B CA   1 ? 2 
ATOM   1947 C C    . GLU   B 1 11  ? -12.736 1.187   -7.795  1   44.301  ? 23  GLU   B C    1 ? 2 
ATOM   1948 O O    . GLU   B 1 11  ? -13.214 0.969   -6.674  1   37.418  ? 23  GLU   B O    1 ? 2 
ATOM   1949 C CB   . GLU   B 1 11  ? -14.737 1.851   -9.221  1   48.59   ? 23  GLU   B CB   1 ? 2 
ATOM   1950 C CG   . GLU   B 1 11  ? -14.354 3.295   -9.547  1   49.388  ? 23  GLU   B CG   1 ? 2 
ATOM   1951 H H    . GLU   B 1 11  ? -15.003 -0.506  -8.68   1   46.924  ? 23  GLU   B H    1 c 2 
ATOM   1952 H HA   . GLU   B 1 11  ? -12.964 0.9     -9.849  1   49.48   ? 23  GLU   B HA   1 c 2 
ATOM   1953 H HB2  . GLU   B 1 11  ? -15.316 1.512   -9.935  1   50.315  ? 23  GLU   B HB2  1 c 2 
ATOM   1954 H HB3  . GLU   B 1 11  ? -15.26  1.85    -8.392  1   46.567  ? 23  GLU   B HB3  1 c 2 
ATOM   1955 H HG2  . GLU   B 1 11  ? -13.369 3.366   -9.544  0   30      ? 23  GLU   B HG2  1 c 2 
ATOM   1956 H HG3  . GLU   B 1 11  ? -15.166 3.82    -9.626  0   30      ? 23  GLU   B HG3  1 c 2 
ATOM   1957 N N    . ASP   B 1 12  ? -11.519 1.713   -7.946  1   42.264  ? 24  ASP   B N    1 ? 2 
ATOM   1958 C CA   . ASP   B 1 12  ? -10.771 2.169   -6.777  1   39.955  ? 24  ASP   B CA   1 ? 2 
ATOM   1959 C C    . ASP   B 1 12  ? -11.264 3.549   -6.374  1   39.975  ? 24  ASP   B C    1 ? 2 
ATOM   1960 O O    . ASP   B 1 12  ? -11.132 4.479   -7.155  1   38.305  ? 24  ASP   B O    1 ? 2 
ATOM   1961 C CB   . ASP   B 1 12  ? -9.288  2.161   -7.036  1   41.076  ? 24  ASP   B CB   1 ? 2 
ATOM   1962 C CG   . ASP   B 1 12  ? -8.388  2.655   -5.925  1   38.266  ? 24  ASP   B CG   1 ? 2 
ATOM   1963 O OD1  . ASP   B 1 12  ? -8.919  3.088   -4.854  1   36.986  ? 24  ASP   B OD1  1 ? 2 
ATOM   1964 O OD2  . ASP   B 1 12  ? -7.164  2.675   -6.193  1   39.012  ? 24  ASP   B OD2  1 ? 2 
ATOM   1965 H H    . ASP   B 1 12  ? -11.147 1.79    -8.777  1   44.928  ? 24  ASP   B H    1 c 2 
ATOM   1966 H HA   . ASP   B 1 12  ? -10.941 1.546   -6.037  1   38.402  ? 24  ASP   B HA   1 c 2 
ATOM   1967 H HB2  . ASP   B 1 12  ? -9.021  1.243   -7.251  1   41.28   ? 24  ASP   B HB2  1 c 2 
ATOM   1968 H HB3  . ASP   B 1 12  ? -9.116  2.712   -7.828  1   42.869  ? 24  ASP   B HB3  1 c 2 
ATOM   1969 N N    . ILE   B 1 13  ? -11.892 3.641   -5.191  1   37.717  ? 25  ILE   B N    1 ? 2 
ATOM   1970 C CA   . ILE   B 1 13  ? -12.531 4.891   -4.79   1   40.236  ? 25  ILE   B CA   1 ? 2 
ATOM   1971 C C    . ILE   B 1 13  ? -11.709 5.616   -3.727  1   38.176  ? 25  ILE   B C    1 ? 2 
ATOM   1972 O O    . ILE   B 1 13  ? -12.192 6.574   -3.137  1   41.468  ? 25  ILE   B O    1 ? 2 
ATOM   1973 C CB   . ILE   B 1 13  ? -13.986 4.648   -4.358  1   36.517  ? 25  ILE   B CB   1 ? 2 
ATOM   1974 C CG1  . ILE   B 1 13  ? -14.11  3.787   -3.136  1   33.738  ? 25  ILE   B CG1  1 ? 2 
ATOM   1975 C CG2  . ILE   B 1 13  ? -14.769 4.033   -5.529  1   39.497  ? 25  ILE   B CG2  1 ? 2 
ATOM   1976 C CD1  . ILE   B 1 13  ? -15.504 3.732   -2.539  1   35.357  ? 25  ILE   B CD1  1 ? 2 
ATOM   1977 H H    . ILE   B 1 13  ? -11.915 2.924   -4.625  1   37.005  ? 25  ILE   B H    1 c 2 
ATOM   1978 H HA   . ILE   B 1 13  ? -12.561 5.47    -5.576  1   40.632  ? 25  ILE   B HA   1 c 2 
ATOM   1979 H HB   . ILE   B 1 13  ? -14.386 5.517   -4.153  1   37.246  ? 25  ILE   B HB   1 c 2 
ATOM   1980 H HG12 . ILE   B 1 13  ? -13.835 2.876   -3.367  1   34.411  ? 25  ILE   B HG12 1 c 2 
ATOM   1981 H HG13 . ILE   B 1 13  ? -13.494 4.12    -2.453  1   33.551  ? 25  ILE   B HG13 1 c 2 
ATOM   1982 H HG21 . ILE   B 1 13  ? -15.718 4.024   -5.319  1   38.932  ? 25  ILE   B HG21 1 c 2 
ATOM   1983 H HG22 . ILE   B 1 13  ? -14.465 3.123   -5.683  1   39.08   ? 25  ILE   B HG22 1 c 2 
ATOM   1984 H HG23 . ILE   B 1 13  ? -14.623 4.561   -6.332  1   40.856  ? 25  ILE   B HG23 1 c 2 
ATOM   1985 H HD11 . ILE   B 1 13  ? -15.829 4.64    -2.39   1   34.857  ? 25  ILE   B HD11 1 c 2 
ATOM   1986 H HD12 . ILE   B 1 13  ? -15.475 3.255   -1.688  1   33.356  ? 25  ILE   B HD12 1 c 2 
ATOM   1987 H HD13 . ILE   B 1 13  ? -16.108 3.268   -3.149  1   35.529  ? 25  ILE   B HD13 1 c 2 
ATOM   1988 N N    . THR   B 1 14  ? -10.471 5.202   -3.474  1   36.116  ? 26  THR   B N    1 ? 2 
ATOM   1989 C CA   . THR   B 1 14  ? -9.598  5.951   -2.568  1   34.781  ? 26  THR   B CA   1 ? 2 
ATOM   1990 C C    . THR   B 1 14  ? -9.041  7.202   -3.277  1   36.709  ? 26  THR   B C    1 ? 2 
ATOM   1991 O O    . THR   B 1 14  ? -8.881  7.252   -4.499  1   35.622  ? 26  THR   B O    1 ? 2 
ATOM   1992 C CB   . THR   B 1 14  ? -8.446  5.094   -2.022  1   33.921  ? 26  THR   B CB   1 ? 2 
ATOM   1993 O OG1  . THR   B 1 14  ? -7.613  4.74    -3.143  1   37.246  ? 26  THR   B OG1  1 ? 2 
ATOM   1994 C CG2  . THR   B 1 14  ? -8.934  3.864   -1.274  1   31.341  ? 26  THR   B CG2  1 ? 2 
ATOM   1995 H H    . THR   B 1 14  ? -10.153 4.44    -3.865  1   36.683  ? 26  THR   B H    1 c 2 
ATOM   1996 H HA   . THR   B 1 14  ? -10.14  6.246   -1.804  1   33.785  ? 26  THR   B HA   1 c 2 
ATOM   1997 H HB   . THR   B 1 14  ? -7.917  5.641   -1.394  1   34.207  ? 26  THR   B HB   1 c 2 
ATOM   1998 H HG1  . THR   B 1 14  ? -8.028  4.266   -3.721  0   30      ? 26  THR   B HG1  1 c 2 
ATOM   1999 H HG21 . THR   B 1 14  ? -8.172  3.34    -0.977  1   31.524  ? 26  THR   B HG21 1 c 2 
ATOM   2000 H HG22 . THR   B 1 14  ? -9.488  3.325   -1.862  1   31.636  ? 26  THR   B HG22 1 c 2 
ATOM   2001 H HG23 . THR   B 1 14  ? -9.456  4.141   -0.502  1   30.39   ? 26  THR   B HG23 1 c 2 
ATOM   2002 N N    . SER   B 1 15  ? -8.689  8.226   -2.472  1   38.948  ? 27  SER   B N    1 ? 2 
ATOM   2003 C CA   . SER   B 1 15  ? -8.027  9.43    -2.975  1   43.478  ? 27  SER   B CA   1 ? 2 
ATOM   2004 C C    . SER   B 1 15  ? -6.59   9.159   -3.401  1   41.828  ? 27  SER   B C    1 ? 2 
ATOM   2005 O O    . SER   B 1 15  ? -6.107  9.685   -4.428  1   44.575  ? 27  SER   B O    1 ? 2 
ATOM   2006 C CB   . SER   B 1 15  ? -8.065  10.508  -1.897  1   43.837  ? 27  SER   B CB   1 ? 2 
ATOM   2007 O OG   . SER   B 1 15  ? -9.421  10.854  -1.671  1   44.562  ? 27  SER   B OG   1 ? 2 
ATOM   2008 H H    . SER   B 1 15  ? -8.869  8.168   -1.577  1   37.443  ? 27  SER   B H    1 c 2 
ATOM   2009 H HA   . SER   B 1 15  ? -8.531  9.755   -3.764  1   43.556  ? 27  SER   B HA   1 c 2 
ATOM   2010 H HB2  . SER   B 1 15  ? -7.668  10.166  -1.073  1   43.051  ? 27  SER   B HB2  1 c 2 
ATOM   2011 H HB3  . SER   B 1 15  ? -7.563  11.286  -2.19   1   46.047  ? 27  SER   B HB3  1 c 2 
ATOM   2012 H HG   . SER   B 1 15  ? -9.443  11.463  -1.087  0   30      ? 27  SER   B HG   1 c 2 
ATOM   2013 N N    . LYS   B 1 16  ? -5.911  8.355   -2.576  1   42.136  ? 28  LYS   B N    1 ? 2 
ATOM   2014 C CA   . LYS   B 1 16  ? -4.518  7.984   -2.819  1   48.709  ? 28  LYS   B CA   1 ? 2 
ATOM   2015 C C    . LYS   B 1 16  ? -4.368  6.972   -3.96   1   47.695  ? 28  LYS   B C    1 ? 2 
ATOM   2016 O O    . LYS   B 1 16  ? -3.251  6.76    -4.445  1   49.67   ? 28  LYS   B O    1 ? 2 
ATOM   2017 C CB   . LYS   B 1 16  ? -3.912  7.373   -1.552  1   49.493  ? 28  LYS   B CB   1 ? 2 
ATOM   2018 C CG   . LYS   B 1 16  ? -3.522  8.347   -0.437  1   56.82   ? 28  LYS   B CG   1 ? 2 
ATOM   2019 C CD   . LYS   B 1 16  ? -3.183  7.58    0.846   1   62.913  ? 28  LYS   B CD   1 ? 2 
ATOM   2020 C CE   . LYS   B 1 16  ? -2.649  8.427   1.959   1   66.445  ? 28  LYS   B CE   1 ? 2 
ATOM   2021 N NZ   . LYS   B 1 16  ? -3.653  9.347   2.503   1   64.404  ? 28  LYS   B NZ   1 ? 2 
ATOM   2022 H H    . LYS   B 1 16  ? -6.325  8.03    -1.829  1   40.922  ? 28  LYS   B H    1 c 2 
ATOM   2023 H HA   . LYS   B 1 16  ? -4.013  8.804   -3.053  1   49.699  ? 28  LYS   B HA   1 c 2 
ATOM   2024 H HB2  . LYS   B 1 16  ? -4.552  6.728   -1.184  1   48.382  ? 28  LYS   B HB2  1 c 2 
ATOM   2025 H HB3  . LYS   B 1 16  ? -3.109  6.871   -1.808  1   51.495  ? 28  LYS   B HB3  1 c 2 
ATOM   2026 H HG2  . LYS   B 1 16  ? -2.743  8.871   -0.724  1   58.877  ? 28  LYS   B HG2  1 c 2 
ATOM   2027 H HG3  . LYS   B 1 16  ? -4.27   8.96    -0.267  1   56.011  ? 28  LYS   B HG3  1 c 2 
ATOM   2028 H HD2  . LYS   B 1 16  ? -3.995  7.123   1.159   1   59.578  ? 28  LYS   B HD2  1 c 2 
ATOM   2029 H HD3  . LYS   B 1 16  ? -2.521  6.887   0.631   1   62.236  ? 28  LYS   B HD3  1 c 2 
ATOM   2030 H HE2  . LYS   B 1 16  ? -2.33   7.851   2.677   1   64.973  ? 28  LYS   B HE2  1 c 2 
ATOM   2031 H HE3  . LYS   B 1 16  ? -1.893  8.947   1.632   1   67.817  ? 28  LYS   B HE3  1 c 2 
ATOM   2032 H HZ1  . LYS   B 1 16  ? -4.394  8.884   2.745   1   62.842  ? 28  LYS   B HZ1  1 c 2 
ATOM   2033 H HZ2  . LYS   B 1 16  ? -3.878  9.962   1.877   1   65.49   ? 28  LYS   B HZ2  1 c 2 
ATOM   2034 H HZ3  . LYS   B 1 16  ? -3.317  9.772   3.23    1   65.354  ? 28  LYS   B HZ3  1 c 2 
ATOM   2035 N N    . LYS   B 1 17  ? -5.468  6.335   -4.365  1   46.265  ? 29  LYS   B N    1 ? 2 
ATOM   2036 C CA   . LYS   B 1 17  ? -5.472  5.323   -5.425  1   46.791  ? 29  LYS   B CA   1 ? 2 
ATOM   2037 C C    . LYS   B 1 17  ? -4.525  4.167   -5.094  1   45.861  ? 29  LYS   B C    1 ? 2 
ATOM   2038 O O    . LYS   B 1 17  ? -3.658  3.77    -5.915  1   43.471  ? 29  LYS   B O    1 ? 2 
ATOM   2039 C CB   . LYS   B 1 17  ? -5.073  5.847   -6.808  1   51.995  ? 29  LYS   B CB   1 ? 2 
ATOM   2040 C CG   . LYS   B 1 17  ? -6.015  6.874   -7.331  1   53.344  ? 29  LYS   B CG   1 ? 2 
ATOM   2041 C CD   . LYS   B 1 17  ? -7.45   6.398   -7.39   1   52.272  ? 29  LYS   B CD   1 ? 2 
ATOM   2042 C CE   . LYS   B 1 17  ? -8.253  7.352   -8.171  1   60.725  ? 29  LYS   B CE   1 ? 2 
ATOM   2043 N NZ   . LYS   B 1 17  ? -9.629  6.899   -8.335  1   63.266  ? 29  LYS   B NZ   1 ? 2 
ATOM   2044 H H    . LYS   B 1 17  ? -6.261  6.525   -3.954  1   44.536  ? 29  LYS   B H    1 c 2 
ATOM   2045 H HA   . LYS   B 1 17  ? -6.387  4.956   -5.486  1   45.724  ? 29  LYS   B HA   1 c 2 
ATOM   2046 H HB2  . LYS   B 1 17  ? -4.175  6.237   -6.762  1   53.262  ? 29  LYS   B HB2  1 c 2 
ATOM   2047 H HB3  . LYS   B 1 17  ? -5.046  5.098   -7.441  1   52.559  ? 29  LYS   B HB3  1 c 2 
ATOM   2048 H HG2  . LYS   B 1 17  ? -5.964  7.669   -6.756  1   52.99   ? 29  LYS   B HG2  1 c 2 
ATOM   2049 H HG3  . LYS   B 1 17  ? -5.725  7.134   -8.233  1   56.075  ? 29  LYS   B HG3  1 c 2 
ATOM   2050 H HD2  . LYS   B 1 17  ? -7.489  5.513   -7.814  1   53.759  ? 29  LYS   B HD2  1 c 2 
ATOM   2051 H HD3  . LYS   B 1 17  ? -7.818  6.332   -6.483  1   51.06   ? 29  LYS   B HD3  1 c 2 
ATOM   2052 H HE2  . LYS   B 1 17  ? -8.254  8.219   -7.727  1   59.626  ? 29  LYS   B HE2  1 c 2 
ATOM   2053 H HE3  . LYS   B 1 17  ? -7.855  7.465   -9.054  1   62.274  ? 29  LYS   B HE3  1 c 2 
ATOM   2054 H HZ1  . LYS   B 1 17  ? -10.057 6.925   -7.537  1   60      ? 29  LYS   B HZ1  1 c 2 
ATOM   2055 H HZ2  . LYS   B 1 17  ? -9.64   6.05    -8.651  1   62.035  ? 29  LYS   B HZ2  1 c 2 
ATOM   2056 H HZ3  . LYS   B 1 17  ? -10.06  7.439   -8.921  1   63.542  ? 29  LYS   B HZ3  1 c 2 
ATOM   2057 N N    . ASP   B 1 18  ? -4.751  3.604   -3.913  1   41.021  ? 30  ASP   B N    1 ? 2 
ATOM   2058 C CA   . ASP   B 1 18  ? -3.895  2.571   -3.364  1   40.16   ? 30  ASP   B CA   1 ? 2 
ATOM   2059 C C    . ASP   B 1 18  ? -4.702  1.283   -3.29   1   34.663  ? 30  ASP   B C    1 ? 2 
ATOM   2060 O O    . ASP   B 1 18  ? -4.299  0.388   -2.596  1   37.279  ? 30  ASP   B O    1 ? 2 
ATOM   2061 C CB   . ASP   B 1 18  ? -3.362  3.025   -2.024  1   38.99   ? 30  ASP   B CB   1 ? 2 
ATOM   2062 C CG   . ASP   B 1 18  ? -4.437  3.316   -0.975  1   39.391  ? 30  ASP   B CG   1 ? 2 
ATOM   2063 O OD1  . ASP   B 1 18  ? -5.597  2.95    -1.194  1   36.83   ? 30  ASP   B OD1  1 ? 2 
ATOM   2064 O OD2  . ASP   B 1 18  ? -4.119  3.979   0.005   1   37.561  ? 30  ASP   B OD2  1 ? 2 
ATOM   2065 H H    . ASP   B 1 18  ? -5.478  3.873   -3.428  1   39.752  ? 30  ASP   B H    1 c 2 
ATOM   2066 H HA   . ASP   B 1 18  ? -3.133  2.434   -3.971  1   41.609  ? 30  ASP   B HA   1 c 2 
ATOM   2067 H HB2  . ASP   B 1 18  ? -2.762  2.337   -1.669  1   39.884  ? 30  ASP   B HB2  1 c 2 
ATOM   2068 H HB3  . ASP   B 1 18  ? -2.837  3.843   -2.157  1   41.2    ? 30  ASP   B HB3  1 c 2 
ATOM   2069 N N    . ARG   B 1 19  ? -5.839  1.221   -3.986  1   36.972  ? 31  ARG   B N    1 ? 2 
ATOM   2070 C CA   . ARG   B 1 19  ? -6.718  0.049   -4.03   1   35.738  ? 31  ARG   B CA   1 ? 2 
ATOM   2071 C C    . ARG   B 1 19  ? -7.183  -0.354  -2.625  1   35.755  ? 31  ARG   B C    1 ? 2 
ATOM   2072 O O    . ARG   B 1 19  ? -7.618  -1.489  -2.436  1   32.917  ? 31  ARG   B O    1 ? 2 
ATOM   2073 C CB   . ARG   B 1 19  ? -6.056  -1.14   -4.769  1   37.156  ? 31  ARG   B CB   1 ? 2 
ATOM   2074 C CG   . ARG   B 1 19  ? -5.643  -0.774  -6.188  1   40.582  ? 31  ARG   B CG   1 ? 2 
ATOM   2075 C CD   . ARG   B 1 19  ? -5.464  -1.89   -7.179  1   41.268  ? 31  ARG   B CD   1 ? 2 
ATOM   2076 N NE   . ARG   B 1 19  ? -6.227  -3.12   -6.977  1   41.035  ? 31  ARG   B NE   1 ? 2 
ATOM   2077 C CZ   . ARG   B 1 19  ? -7.28   -3.598  -7.676  1   43.565  ? 31  ARG   B CZ   1 ? 2 
ATOM   2078 N NH1  . ARG   B 1 19  ? -7.907  -2.909  -8.637  1   41.974  ? 31  ARG   B NH1  1 ? 2 
ATOM   2079 N NH2  . ARG   B 1 19  ? -7.751  -4.805  -7.344  1   42.69   ? 31  ARG   B NH2  1 ? 2 
ATOM   2080 H H    . ARG   B 1 19  ? -6.086  1.95    -4.478  1   37.092  ? 31  ARG   B H    1 c 2 
ATOM   2081 H HA   . ARG   B 1 19  ? -7.523  0.3     -4.55   1   36.255  ? 31  ARG   B HA   1 c 2 
ATOM   2082 H HB2  . ARG   B 1 19  ? -5.263  -1.428  -4.271  1   37.591  ? 31  ARG   B HB2  1 c 2 
ATOM   2083 H HB3  . ARG   B 1 19  ? -6.685  -1.891  -4.8    1   36.861  ? 31  ARG   B HB3  1 c 2 
ATOM   2084 H HG2  . ARG   B 1 19  ? -6.311  -0.151  -6.55   1   40.104  ? 31  ARG   B HG2  1 c 2 
ATOM   2085 H HG3  . ARG   B 1 19  ? -4.8    -0.272  -6.14   1   41.079  ? 31  ARG   B HG3  1 c 2 
ATOM   2086 H HD2  . ARG   B 1 19  ? -5.678  -1.532  -8.064  1   43.507  ? 31  ARG   B HD2  1 c 2 
ATOM   2087 H HD3  . ARG   B 1 19  ? -4.511  -2.116  -7.19   1   43.096  ? 31  ARG   B HD3  1 c 2 
ATOM   2088 H HE   . ARG   B 1 19  ? -5.968  -3.617  -6.311  1   40.343  ? 31  ARG   B HE   1 c 2 
ATOM   2089 H HH11 . ARG   B 1 19  ? -7.834  -2.028  -8.671  1   42.751  ? 31  ARG   B HH11 1 c 2 
ATOM   2090 H HH12 . ARG   B 1 19  ? -8.399  -3.337  -9.235  1   44.092  ? 31  ARG   B HH12 1 c 2 
ATOM   2091 H HH21 . ARG   B 1 19  ? -7.314  -5.308  -6.762  1   42.148  ? 31  ARG   B HH21 1 c 2 
ATOM   2092 H HH22 . ARG   B 1 19  ? -8.501  -5.1    -7.708  1   43.159  ? 31  ARG   B HH22 1 c 2 
ATOM   2093 N N    . GLY   B 1 20  ? -7.242  0.621   -1.66   1   33.812  ? 32  GLY   B N    1 ? 2 
ATOM   2094 C CA   . GLY   B 1 20  ? -7.638  0.371   -0.28   1   29.444  ? 32  GLY   B CA   1 ? 2 
ATOM   2095 C C    . GLY   B 1 20  ? -9.118  0.062   -0.085  1   27.017  ? 32  GLY   B C    1 ? 2 
ATOM   2096 O O    . GLY   B 1 20  ? -9.509  -0.556  0.924   1   27.255  ? 32  GLY   B O    1 ? 2 
ATOM   2097 H H    . GLY   B 1 20  ? -7.035  1.479   -1.895  1   34.014  ? 32  GLY   B H    1 c 2 
ATOM   2098 H HA2  . GLY   B 1 20  ? -7.108  -0.383  0.066   1   29.798  ? 32  GLY   B HA2  1 c 2 
ATOM   2099 H HA3  . GLY   B 1 20  ? -7.406  1.162   0.255   1   29.485  ? 32  GLY   B HA3  1 c 2 
ATOM   2100 N N    . VAL   B 1 21  ? -9.934  0.61    -0.958  1   28.117  ? 33  VAL   B N    1 ? 2 
ATOM   2101 C CA   . VAL   B 1 21  ? -11.377 0.484   -0.95   1   29.151  ? 33  VAL   B CA   1 ? 2 
ATOM   2102 C C    . VAL   B 1 21  ? -11.764 0.331   -2.418  1   29.496  ? 33  VAL   B C    1 ? 2 
ATOM   2103 O O    . VAL   B 1 21  ? -11.531 1.238   -3.219  1   28.42   ? 33  VAL   B O    1 ? 2 
ATOM   2104 C CB   . VAL   B 1 21  ? -12.099 1.701   -0.336  1   30.389  ? 33  VAL   B CB   1 ? 2 
ATOM   2105 C CG1  . VAL   B 1 21  ? -13.606 1.437   -0.285  1   30.458  ? 33  VAL   B CG1  1 ? 2 
ATOM   2106 C CG2  . VAL   B 1 21  ? -11.578 2.06    1.066   1   27.805  ? 33  VAL   B CG2  1 ? 2 
ATOM   2107 H H    . VAL   B 1 21  ? -9.561  1.112   -1.624  1   29.464  ? 33  VAL   B H    1 c 2 
ATOM   2108 H HA   . VAL   B 1 21  ? -11.629 -0.323  -0.462  1   28.255  ? 33  VAL   B HA   1 c 2 
ATOM   2109 H HB   . VAL   B 1 21  ? -11.939 2.471   -0.931  1   30.61   ? 33  VAL   B HB   1 c 2 
ATOM   2110 H HG11 . VAL   B 1 21  ? -13.775 0.614   0.204   1   29.824  ? 33  VAL   B HG11 1 c 2 
ATOM   2111 H HG12 . VAL   B 1 21  ? -13.955 1.354   -1.188  1   31.355  ? 33  VAL   B HG12 1 c 2 
ATOM   2112 H HG13 . VAL   B 1 21  ? -14.049 2.176   0.165   1   30.047  ? 33  VAL   B HG13 1 c 2 
ATOM   2113 H HG21 . VAL   B 1 21  ? -12.095 2.801   1.424   1   27.966  ? 33  VAL   B HG21 1 c 2 
ATOM   2114 H HG22 . VAL   B 1 21  ? -10.642 2.316   1.01    1   28.631  ? 33  VAL   B HG22 1 c 2 
ATOM   2115 H HG23 . VAL   B 1 21  ? -11.668 1.29    1.653   1   27.561  ? 33  VAL   B HG23 1 c 2 
ATOM   2116 N N    . LEU   B 1 22  ? -12.288 -0.831  -2.807  1   31.277  ? 34  LEU   B N    1 ? 2 
ATOM   2117 C CA   . LEU   B 1 22  ? -12.767 -1.083  -4.161  1   32.67   ? 34  LEU   B CA   1 ? 2 
ATOM   2118 C C    . LEU   B 1 22  ? -14.283 -1.319  -4.124  1   34.86   ? 34  LEU   B C    1 ? 2 
ATOM   2119 O O    . LEU   B 1 22  ? -14.764 -2.023  -3.188  1   30.7    ? 34  LEU   B O    1 ? 2 
ATOM   2120 C CB   . LEU   B 1 22  ? -12.031 -2.342  -4.614  1   37.365  ? 34  LEU   B CB   1 ? 2 
ATOM   2121 C CG   . LEU   B 1 22  ? -10.506 -2.363  -4.6    1   34.823  ? 34  LEU   B CG   1 ? 2 
ATOM   2122 C CD1  . LEU   B 1 22  ? -9.985  -3.731  -4.923  1   38.588  ? 34  LEU   B CD1  1 ? 2 
ATOM   2123 C CD2  . LEU   B 1 22  ? -10.067 -1.355  -5.681  1   38.417  ? 34  LEU   B CD2  1 ? 2 
ATOM   2124 H H    . LEU   B 1 22  ? -12.35  -1.508  -2.196  1   30.098  ? 34  LEU   B H    1 c 2 
ATOM   2125 H HA   . LEU   B 1 22  ? -12.544 -0.32   -4.747  1   34.65   ? 34  LEU   B HA   1 c 2 
ATOM   2126 H HB2  . LEU   B 1 22  ? -12.347 -3.089  -4.055  1   35.107  ? 34  LEU   B HB2  1 c 2 
ATOM   2127 H HB3  . LEU   B 1 22  ? -12.33  -2.55   -5.529  1   37.484  ? 34  LEU   B HB3  1 c 2 
ATOM   2128 H HG   . LEU   B 1 22  ? -10.176 -2.073  -3.711  1   34.709  ? 34  LEU   B HG   1 c 2 
ATOM   2129 H HD11 . LEU   B 1 22  ? -10.269 -4.357  -4.236  1   36.805  ? 34  LEU   B HD11 1 c 2 
ATOM   2130 H HD12 . LEU   B 1 22  ? -9.014  -3.709  -4.958  1   38.396  ? 34  LEU   B HD12 1 c 2 
ATOM   2131 H HD13 . LEU   B 1 22  ? -10.333 -4.016  -5.784  1   39.408  ? 34  LEU   B HD13 1 c 2 
ATOM   2132 H HD21 . LEU   B 1 22  ? -10.319 -0.458  -5.41   1   37.167  ? 34  LEU   B HD21 1 c 2 
ATOM   2133 H HD22 . LEU   B 1 22  ? -10.501 -1.572  -6.524  1   39.421  ? 34  LEU   B HD22 1 c 2 
ATOM   2134 H HD23 . LEU   B 1 22  ? -9.103  -1.399  -5.794  1   38.696  ? 34  LEU   B HD23 1 c 2 
ATOM   2135 N N    . LYS   B 1 23  ? -14.981 -0.847  -5.173  1   33.033  ? 35  LYS   B N    1 ? 2 
ATOM   2136 C CA   . LYS   B 1 23  ? -16.434 -0.774  -5.183  1   35.128  ? 35  LYS   B CA   1 ? 2 
ATOM   2137 C C    . LYS   B 1 23  ? -17.007 -1.335  -6.477  1   40.091  ? 35  LYS   B C    1 ? 2 
ATOM   2138 O O    . LYS   B 1 23  ? -16.553 -0.932  -7.552  1   41.942  ? 35  LYS   B O    1 ? 2 
ATOM   2139 C CB   . LYS   B 1 23  ? -16.912 0.68    -5.152  1   34.563  ? 35  LYS   B CB   1 ? 2 
ATOM   2140 C CG   . LYS   B 1 23  ? -18.413 0.815   -4.968  1   36.313  ? 35  LYS   B CG   1 ? 2 
ATOM   2141 C CD   . LYS   B 1 23  ? -18.96  2.217   -5.135  1   40.469  ? 35  LYS   B CD   1 ? 2 
ATOM   2142 C CE   . LYS   B 1 23  ? -20.446 2.242   -5.017  1   46.551  ? 35  LYS   B CE   1 ? 2 
ATOM   2143 N NZ   . LYS   B 1 23  ? -20.951 3.609   -5.253  1   42.701  ? 35  LYS   B NZ   1 ? 2 
ATOM   2144 H H    . LYS   B 1 23  ? -14.527 -0.563  -5.913  1   35.44   ? 35  LYS   B H    1 c 2 
ATOM   2145 H HA   . LYS   B 1 23  ? -16.792 -1.273  -4.411  1   34.089  ? 35  LYS   B HA   1 c 2 
ATOM   2146 H HB2  . LYS   B 1 23  ? -16.463 1.147   -4.416  1   33.48   ? 35  LYS   B HB2  1 c 2 
ATOM   2147 H HB3  . LYS   B 1 23  ? -16.656 1.123   -5.989  1   36.361  ? 35  LYS   B HB3  1 c 2 
ATOM   2148 H HG2  . LYS   B 1 23  ? -18.861 0.228   -5.614  1   38.331  ? 35  LYS   B HG2  1 c 2 
ATOM   2149 H HG3  . LYS   B 1 23  ? -18.643 0.493   -4.07   1   35.489  ? 35  LYS   B HG3  1 c 2 
ATOM   2150 H HD2  . LYS   B 1 23  ? -18.571 2.801   -4.447  1   39.292  ? 35  LYS   B HD2  1 c 2 
ATOM   2151 H HD3  . LYS   B 1 23  ? -18.7   2.563   -6.016  1   42.091  ? 35  LYS   B HD3  1 c 2 
ATOM   2152 H HE2  . LYS   B 1 23  ? -20.841 1.635   -5.668  1   45.673  ? 35  LYS   B HE2  1 c 2 
ATOM   2153 H HE3  . LYS   B 1 23  ? -20.709 1.952   -4.126  1   42.836  ? 35  LYS   B HE3  1 c 2 
ATOM   2154 H HZ1  . LYS   B 1 23  ? -20.725 3.88    -6.088  1   45.449  ? 35  LYS   B HZ1  1 c 2 
ATOM   2155 H HZ2  . LYS   B 1 23  ? -20.589 4.177   -4.648  1   42.862  ? 35  LYS   B HZ2  1 c 2 
ATOM   2156 H HZ3  . LYS   B 1 23  ? -21.853 3.621   -5.171  1   44.994  ? 35  LYS   B HZ3  1 c 2 
ATOM   2157 N N    . ILE   B 1 24  ? -18.069 -2.16   -6.382  1   42.731  ? 36  ILE   B N    1 ? 2 
ATOM   2158 C CA   . ILE   B 1 24  ? -18.926 -2.461  -7.525  1   44.681  ? 36  ILE   B CA   1 ? 2 
ATOM   2159 C C    . ILE   B 1 24  ? -20.368 -2.087  -7.2    1   45.417  ? 36  ILE   B C    1 ? 2 
ATOM   2160 O O    . ILE   B 1 24  ? -20.893 -2.42   -6.133  1   40.044  ? 36  ILE   B O    1 ? 2 
ATOM   2161 C CB   . ILE   B 1 24  ? -18.81  -3.916  -7.966  1   50.349  ? 36  ILE   B CB   1 ? 2 
ATOM   2162 C CG1  . ILE   B 1 24  ? -17.383 -4.274  -8.309  1   48.17   ? 36  ILE   B CG1  1 ? 2 
ATOM   2163 C CG2  . ILE   B 1 24  ? -19.757 -4.163  -9.147  1   52.773  ? 36  ILE   B CG2  1 ? 2 
ATOM   2164 C CD1  . ILE   B 1 24  ? -17.246 -5.698  -8.773  1   52.239  ? 36  ILE   B CD1  1 ? 2 
ATOM   2165 H H    . ILE   B 1 24  ? -18.262 -2.548  -5.576  1   40.75   ? 36  ILE   B H    1 c 2 
ATOM   2166 H HA   . ILE   B 1 24  ? -18.633 -1.904  -8.271  1   46.747  ? 36  ILE   B HA   1 c 2 
ATOM   2167 H HB   . ILE   B 1 24  ? -19.094 -4.483  -7.222  1   47.966  ? 36  ILE   B HB   1 c 2 
ATOM   2168 H HG12 . ILE   B 1 24  ? -17.067 -3.676  -9.017  1   50.158  ? 36  ILE   B HG12 1 c 2 
ATOM   2169 H HG13 . ILE   B 1 24  ? -16.819 -4.139  -7.521  1   46.936  ? 36  ILE   B HG13 1 c 2 
ATOM   2170 H HG21 . ILE   B 1 24  ? -19.755 -5.106  -9.379  1   54.409  ? 36  ILE   B HG21 1 c 2 
ATOM   2171 H HG22 . ILE   B 1 24  ? -19.465 -3.642  -9.914  1   54.365  ? 36  ILE   B HG22 1 c 2 
ATOM   2172 H HG23 . ILE   B 1 24  ? -20.66  -3.899  -8.905  1   53.304  ? 36  ILE   B HG23 1 c 2 
ATOM   2173 H HD11 . ILE   B 1 24  ? -17.565 -6.305  -8.079  1   50.777  ? 36  ILE   B HD11 1 c 2 
ATOM   2174 H HD12 . ILE   B 1 24  ? -16.306 -5.878  -8.954  1   51.648  ? 36  ILE   B HD12 1 c 2 
ATOM   2175 H HD13 . ILE   B 1 24  ? -17.76  -5.84   -9.59   1   54.032  ? 36  ILE   B HD13 1 c 2 
ATOM   2176 N N    . VAL   B 1 25  ? -20.997 -1.322  -8.097  1   46.569  ? 37  VAL   B N    1 ? 2 
ATOM   2177 C CA   . VAL   B 1 25  ? -22.417 -1.041  -7.947  1   51.869  ? 37  VAL   B CA   1 ? 2 
ATOM   2178 C C    . VAL   B 1 25  ? -23.147 -2.28   -8.45   1   55.757  ? 37  VAL   B C    1 ? 2 
ATOM   2179 O O    . VAL   B 1 25  ? -22.966 -2.632  -9.597  1   59.032  ? 37  VAL   B O    1 ? 2 
ATOM   2180 C CB   . VAL   B 1 25  ? -22.944 0.194   -8.7    1   58.518  ? 37  VAL   B CB   1 ? 2 
ATOM   2181 C CG1  . VAL   B 1 25  ? -24.473 0.234   -8.721  1   62.187  ? 37  VAL   B CG1  1 ? 2 
ATOM   2182 C CG2  . VAL   B 1 25  ? -22.384 1.506   -8.143  1   57.884  ? 37  VAL   B CG2  1 ? 2 
ATOM   2183 H H    . VAL   B 1 25  ? -20.542 -0.97   -8.807  1   48.647  ? 37  VAL   B H    1 c 2 
ATOM   2184 H HA   . VAL   B 1 25  ? -22.611 -0.927  -6.997  1   50.209  ? 37  VAL   B HA   1 c 2 
ATOM   2185 H HB   . VAL   B 1 25  ? -22.638 0.114   -9.634  1   59.871  ? 37  VAL   B HB   1 c 2 
ATOM   2186 H HG11 . VAL   B 1 25  ? -24.813 0.128   -7.816  1   60.41   ? 37  VAL   B HG11 1 c 2 
ATOM   2187 H HG12 . VAL   B 1 25  ? -24.812 -0.484  -9.28   1   63.827  ? 37  VAL   B HG12 1 c 2 
ATOM   2188 H HG13 . VAL   B 1 25  ? -24.769 1.088   -9.078  1   62.923  ? 37  VAL   B HG13 1 c 2 
ATOM   2189 H HG21 . VAL   B 1 25  ? -22.727 2.252   -8.663  1   58.956  ? 37  VAL   B HG21 1 c 2 
ATOM   2190 H HG22 . VAL   B 1 25  ? -21.414 1.493   -8.196  1   56.35   ? 37  VAL   B HG22 1 c 2 
ATOM   2191 H HG23 . VAL   B 1 25  ? -22.655 1.607   -7.215  1   55.727  ? 37  VAL   B HG23 1 c 2 
ATOM   2192 N N    . LYS   B 1 26  ? -23.954 -2.909  -7.586  1   55.854  ? 38  LYS   B N    1 ? 2 
ATOM   2193 C CA   . LYS   B 1 26  ? -24.716 -4.083  -7.994  1   56.094  ? 38  LYS   B CA   1 ? 2 
ATOM   2194 C C    . LYS   B 1 26  ? -26.158 -3.722  -8.382  1   60.432  ? 38  LYS   B C    1 ? 2 
ATOM   2195 O O    . LYS   B 1 26  ? -26.741 -4.378  -9.225  1   66.897  ? 38  LYS   B O    1 ? 2 
ATOM   2196 C CB   . LYS   B 1 26  ? -24.634 -5.07   -6.826  1   50.671  ? 38  LYS   B CB   1 ? 2 
ATOM   2197 C CG   . LYS   B 1 26  ? -23.223 -5.534  -6.428  1   49.845  ? 38  LYS   B CG   1 ? 2 
ATOM   2198 C CD   . LYS   B 1 26  ? -22.389 -6.116  -7.566  1   51.943  ? 38  LYS   B CD   1 ? 2 
ATOM   2199 C CE   . LYS   B 1 26  ? -22.644 -7.561  -7.778  1   53.805  ? 38  LYS   B CE   1 ? 2 
ATOM   2200 N NZ   . LYS   B 1 26  ? -22.092 -8.163  -8.997  1   57.378  ? 38  LYS   B NZ   1 ? 2 
ATOM   2201 H H    . LYS   B 1 26  ? -24.034 -2.602  -6.729  1   53.255  ? 38  LYS   B H    1 c 2 
ATOM   2202 H HA   . LYS   B 1 26  ? -24.276 -4.485  -8.783  1   57.391  ? 38  LYS   B HA   1 c 2 
ATOM   2203 H HB2  . LYS   B 1 26  ? -25.053 -4.655  -6.042  1   50.789  ? 38  LYS   B HB2  1 c 2 
ATOM   2204 H HB3  . LYS   B 1 26  ? -25.163 -5.863  -7.056  1   54.044  ? 38  LYS   B HB3  1 c 2 
ATOM   2205 H HG2  . LYS   B 1 26  ? -22.743 -4.768  -6.045  1   47.424  ? 38  LYS   B HG2  1 c 2 
ATOM   2206 H HG3  . LYS   B 1 26  ? -23.309 -6.21   -5.721  1   48.983  ? 38  LYS   B HG3  1 c 2 
ATOM   2207 H HD2  . LYS   B 1 26  ? -22.58  -5.632  -8.397  1   53.348  ? 38  LYS   B HD2  1 c 2 
ATOM   2208 H HD3  . LYS   B 1 26  ? -21.437 -5.988  -7.358  1   49.874  ? 38  LYS   B HD3  1 c 2 
ATOM   2209 H HE2  . LYS   B 1 26  ? -22.291 -8.048  -7.012  1   52.581  ? 38  LYS   B HE2  1 c 2 
ATOM   2210 H HE3  . LYS   B 1 26  ? -23.608 -7.697  -7.785  1   55.812  ? 38  LYS   B HE3  1 c 2 
ATOM   2211 H HZ1  . LYS   B 1 26  ? -21.188 -8.1    -8.987  1   55.784  ? 38  LYS   B HZ1  1 c 2 
ATOM   2212 H HZ2  . LYS   B 1 26  ? -22.413 -7.729  -9.725  1   58.764  ? 38  LYS   B HZ2  1 c 2 
ATOM   2213 H HZ3  . LYS   B 1 26  ? -22.33  -9.036  -9.042  1   58.651  ? 38  LYS   B HZ3  1 c 2 
ATOM   2214 N N    . ARG   B 1 27  ? -26.8   -2.763  -7.712  1   60.798  ? 39  ARG   B N    1 ? 2 
ATOM   2215 C CA   . ARG   B 1 27  ? -28.155 -2.359  -8.081  1   65.063  ? 39  ARG   B CA   1 ? 2 
ATOM   2216 C C    . ARG   B 1 27  ? -28.211 -0.838  -8.048  1   70.992  ? 39  ARG   B C    1 ? 2 
ATOM   2217 O O    . ARG   B 1 27  ? -27.883 -0.255  -7.018  1   62.714  ? 39  ARG   B O    1 ? 2 
ATOM   2218 C CB   . ARG   B 1 27  ? -29.222 -2.878  -7.099  1   65.632  ? 39  ARG   B CB   1 ? 2 
ATOM   2219 C CG   . ARG   B 1 27  ? -30.68  -2.633  -7.483  1   71.169  ? 39  ARG   B CG   1 ? 2 
ATOM   2220 C CD   . ARG   B 1 27  ? -31.633 -3.142  -6.412  1   71.747  ? 39  ARG   B CD   1 ? 2 
ATOM   2221 N NE   . ARG   B 1 27  ? -31.543 -2.254  -5.242  1   70.345  ? 39  ARG   B NE   1 ? 2 
ATOM   2222 C CZ   . ARG   B 1 27  ? -32.113 -2.515  -4.06   1   70.52   ? 39  ARG   B CZ   1 ? 2 
ATOM   2223 N NH1  . ARG   B 1 27  ? -32.642 -3.72   -3.798  1   70.899  ? 39  ARG   B NH1  1 ? 2 
ATOM   2224 N NH2  . ARG   B 1 27  ? -32.17  -1.556  -3.144  1   67.117  ? 39  ARG   B NH2  1 ? 2 
ATOM   2225 H H    . ARG   B 1 27  ? -26.392 -2.353  -7.004  1   58.233  ? 39  ARG   B H    1 c 2 
ATOM   2226 H HA   . ARG   B 1 27  ? -28.352 -2.676  -8.999  1   68.692  ? 39  ARG   B HA   1 c 2 
ATOM   2227 H HB2  . ARG   B 1 27  ? -29.091 -3.844  -6.993  1   66.219  ? 39  ARG   B HB2  1 c 2 
ATOM   2228 H HB3  . ARG   B 1 27  ? -29.059 -2.466  -6.224  1   63.684  ? 39  ARG   B HB3  1 c 2 
ATOM   2229 H HG2  . ARG   B 1 27  ? -30.828 -1.671  -7.613  1   70.841  ? 39  ARG   B HG2  1 c 2 
ATOM   2230 H HG3  . ARG   B 1 27  ? -30.875 -3.089  -8.33   1   73.422  ? 39  ARG   B HG3  1 c 2 
ATOM   2231 H HD2  . ARG   B 1 27  ? -32.551 -3.148  -6.749  1   75.408  ? 39  ARG   B HD2  1 c 2 
ATOM   2232 H HD3  . ARG   B 1 27  ? -31.389 -4.054  -6.152  1   71.798  ? 39  ARG   B HD3  1 c 2 
ATOM   2233 H HE   . ARG   B 1 27  ? -31.092 -1.513  -5.321  1   68.453  ? 39  ARG   B HE   1 c 2 
ATOM   2234 H HH11 . ARG   B 1 27  ? -33.037 -4.184  -4.44   1   73.968  ? 39  ARG   B HH11 1 c 2 
ATOM   2235 H HH12 . ARG   B 1 27  ? -32.598 -4.045  -2.976  1   70.436  ? 39  ARG   B HH12 1 c 2 
ATOM   2236 H HH21 . ARG   B 1 27  ? -31.67  -0.832  -3.228  1   65.948  ? 39  ARG   B HH21 1 c 2 
ATOM   2237 H HH22 . ARG   B 1 27  ? -32.709 -1.647  -2.449  1   68.321  ? 39  ARG   B HH22 1 c 2 
ATOM   2238 N N    . VAL   B 1 28  ? -28.59  -0.205  -9.165  1   75.341  ? 40  VAL   B N    1 ? 2 
ATOM   2239 C CA   . VAL   B 1 28  ? -28.453 1.238   -9.291  1   77.024  ? 40  VAL   B CA   1 ? 2 
ATOM   2240 C C    . VAL   B 1 28  ? -29.554 1.94    -8.503  1   80.68   ? 40  VAL   B C    1 ? 2 
ATOM   2241 O O    . VAL   B 1 28  ? -30.686 1.465   -8.438  1   87.931  ? 40  VAL   B O    1 ? 2 
ATOM   2242 C CB   . VAL   B 1 28  ? -28.456 1.657   -10.768 1   80.038  ? 40  VAL   B CB   1 ? 2 
ATOM   2243 C CG1  . VAL   B 1 28  ? -28.806 3.142   -10.958 1   79.112  ? 40  VAL   B CG1  1 ? 2 
ATOM   2244 C CG2  . VAL   B 1 28  ? -27.13  1.283   -11.421 1   78.378  ? 40  VAL   B CG2  1 ? 2 
ATOM   2245 H H    . VAL   B 1 28  ? -28.945 -0.681  -9.859  1   77.999  ? 40  VAL   B H    1 c 2 
ATOM   2246 H HA   . VAL   B 1 28  ? -27.592 1.493   -8.906  1   74.267  ? 40  VAL   B HA   1 c 2 
ATOM   2247 H HB   . VAL   B 1 28  ? -29.162 1.132   -11.214 1   82.419  ? 40  VAL   B HB   1 c 2 
ATOM   2248 H HG11 . VAL   B 1 28  ? -28.234 3.687   -10.392 1   77.16   ? 40  VAL   B HG11 1 c 2 
ATOM   2249 H HG12 . VAL   B 1 28  ? -29.736 3.293   -10.721 1   81.235  ? 40  VAL   B HG12 1 c 2 
ATOM   2250 H HG13 . VAL   B 1 28  ? -28.667 3.39    -11.888 1   81.834  ? 40  VAL   B HG13 1 c 2 
ATOM   2251 H HG21 . VAL   B 1 28  ? -27.142 1.548   -12.356 1   81.07   ? 40  VAL   B HG21 1 c 2 
ATOM   2252 H HG22 . VAL   B 1 28  ? -26.996 0.322   -11.359 1   78.404  ? 40  VAL   B HG22 1 c 2 
ATOM   2253 H HG23 . VAL   B 1 28  ? -26.403 1.741   -10.966 1   75.938  ? 40  VAL   B HG23 1 c 2 
ATOM   2254 N N    . GLY   B 1 29  ? -29.205 3.099   -7.947  1   78.852  ? 41  GLY   B N    1 ? 2 
ATOM   2255 C CA   . GLY   B 1 29  ? -30.096 3.876   -7.098  1   82.172  ? 41  GLY   B CA   1 ? 2 
ATOM   2256 C C    . GLY   B 1 29  ? -30.725 5.049   -7.848  1   84.028  ? 41  GLY   B C    1 ? 2 
ATOM   2257 O O    . GLY   B 1 29  ? -30.365 5.34    -8.991  1   90.824  ? 41  GLY   B O    1 ? 2 
ATOM   2258 H H    . GLY   B 1 29  ? -28.365 3.423   -8.102  1   77.797  ? 41  GLY   B H    1 c 2 
ATOM   2259 H HA2  . GLY   B 1 29  ? -30.808 3.289   -6.751  1   82.241  ? 41  GLY   B HA2  1 c 2 
ATOM   2260 H HA3  . GLY   B 1 29  ? -29.584 4.218   -6.327  1   78.548  ? 41  GLY   B HA3  1 c 2 
ATOM   2261 N N    . ASN   B 1 30  ? -31.654 5.725   -7.159  1   80.73   ? 42  ASN   B N    1 ? 2 
ATOM   2262 C CA   . ASN   B 1 30  ? -32.485 6.763   -7.75   1   83.862  ? 42  ASN   B CA   1 ? 2 
ATOM   2263 C C    . ASN   B 1 30  ? -32.076 8.124   -7.178  1   82.822  ? 42  ASN   B C    1 ? 2 
ATOM   2264 O O    . ASN   B 1 30  ? -31.628 8.235   -6.039  1   76.383  ? 42  ASN   B O    1 ? 2 
ATOM   2265 C CB   . ASN   B 1 30  ? -33.959 6.426   -7.564  1   82.53   ? 42  ASN   B CB   1 ? 2 
ATOM   2266 H H    . ASN   B 1 30  ? -31.769 5.53    -6.273  1   80.216  ? 42  ASN   B H    1 c 2 
ATOM   2267 H HA   . ASN   B 1 30  ? -32.312 6.776   -8.718  1   84.747  ? 42  ASN   B HA   1 c 2 
ATOM   2268 H HB2  . ASN   B 1 30  ? -34.033 5.649   -7.036  0   30      ? 42  ASN   B HB2  1 c 2 
ATOM   2269 H HB3  . ASN   B 1 30  ? -34.445 7.149   -8.033  0   30      ? 42  ASN   B HB3  1 c 2 
ATOM   2270 N N    . GLY   B 1 31  ? -32.205 9.166   -8.002  1   87.262  ? 43  GLY   B N    1 ? 2 
ATOM   2271 C CA   . GLY   B 1 31  ? -31.705 10.487  -7.655  1   87.073  ? 43  GLY   B CA   1 ? 2 
ATOM   2272 C C    . GLY   B 1 31  ? -30.232 10.633  -8.034  1   84.717  ? 43  GLY   B C    1 ? 2 
ATOM   2273 O O    . GLY   B 1 31  ? -29.56  9.644   -8.319  1   84.222  ? 43  GLY   B O    1 ? 2 
ATOM   2274 H H    . GLY   B 1 31  ? -32.621 9.051   -8.807  1   89.656  ? 43  GLY   B H    1 c 2 
ATOM   2275 H HA2  . GLY   B 1 31  ? -32.237 11.167  -8.13   1   89.806  ? 43  GLY   B HA2  1 c 2 
ATOM   2276 H HA3  . GLY   B 1 31  ? -31.815 10.636  -6.686  1   85.446  ? 43  GLY   B HA3  1 c 2 
ATOM   2277 N N    . GLU   B 1 32  ? -29.772 11.892  -8.074  1   84.277  ? 44  GLU   B N    1 ? 2 
ATOM   2278 C CA   . GLU   B 1 32  ? -28.402 12.236  -8.42   1   78.376  ? 44  GLU   B CA   1 ? 2 
ATOM   2279 C C    . GLU   B 1 32  ? -27.586 12.49   -7.145  1   72.555  ? 44  GLU   B C    1 ? 2 
ATOM   2280 O O    . GLU   B 1 32  ? -26.366 12.386  -7.182  1   66.131  ? 44  GLU   B O    1 ? 2 
ATOM   2281 C CB   . GLU   B 1 32  ? -28.446 13.407  -9.411  1   77.239  ? 44  GLU   B CB   1 ? 2 
ATOM   2282 H H    . GLU   B 1 32  ? -30.352 12.571  -7.878  1   84.989  ? 44  GLU   B H    1 c 2 
ATOM   2283 H HA   . GLU   B 1 32  ? -27.999 11.462  -8.89   1   77.325  ? 44  GLU   B HA   1 c 2 
ATOM   2284 H HB2  . GLU   B 1 32  ? -27.549 13.691  -9.532  0   30      ? 44  GLU   B HB2  1 c 2 
ATOM   2285 H HB3  . GLU   B 1 32  ? -29.406 13.657  -9.505  0   30      ? 44  GLU   B HB3  1 c 2 
ATOM   2286 N N    . GLU   B 1 33  ? -28.261 12.789  -6.012  1   74.432  ? 45  GLU   B N    1 ? 2 
ATOM   2287 C CA   . GLU   B 1 33  ? -27.62  13.197  -4.761  1   70.576  ? 45  GLU   B CA   1 ? 2 
ATOM   2288 C C    . GLU   B 1 33  ? -27.011 11.999  -4.022  1   66.645  ? 45  GLU   B C    1 ? 2 
ATOM   2289 O O    . GLU   B 1 33  ? -27.666 10.982  -3.799  1   66.307  ? 45  GLU   B O    1 ? 2 
ATOM   2290 C CB   . GLU   B 1 33  ? -28.614 13.934  -3.851  1   70.043  ? 45  GLU   B CB   1 ? 2 
ATOM   2291 H H    . GLU   B 1 33  ? -29.173 12.73   -6.024  1   75.481  ? 45  GLU   B H    1 c 2 
ATOM   2292 H HA   . GLU   B 1 33  ? -26.891 13.829  -4.986  1   70.114  ? 45  GLU   B HA   1 c 2 
ATOM   2293 H HB2  . GLU   B 1 33  ? -28.134 14.412  -3.14   0   30      ? 45  GLU   B HB2  1 c 2 
ATOM   2294 H HB3  . GLU   B 1 33  ? -29.564 13.678  -4.069  0   30      ? 45  GLU   B HB3  1 c 2 
ATOM   2295 N N    . THR   B 1 34  ? -25.725 12.125  -3.667  1   61.196  ? 46  THR   B N    1 ? 2 
ATOM   2296 C CA   . THR   B 1 34  ? -25.042 11.203  -2.768  1   58.694  ? 46  THR   B CA   1 ? 2 
ATOM   2297 C C    . THR   B 1 34  ? -24.897 11.909  -1.426  1   55.222  ? 46  THR   B C    1 ? 2 
ATOM   2298 O O    . THR   B 1 34  ? -24.975 13.131  -1.38   1   58.433  ? 46  THR   B O    1 ? 2 
ATOM   2299 C CB   . THR   B 1 34  ? -23.687 10.83   -3.356  1   56.309  ? 46  THR   B CB   1 ? 2 
ATOM   2300 O OG1  . THR   B 1 34  ? -22.955 12.056  -3.368  1   55.391  ? 46  THR   B OG1  1 ? 2 
ATOM   2301 C CG2  . THR   B 1 34  ? -23.789 10.259  -4.755  1   54.756  ? 46  THR   B CG2  1 ? 2 
ATOM   2302 H H    . THR   B 1 34  ? -25.246 12.825  -4.007  1   62.646  ? 46  THR   B H    1 c 2 
ATOM   2303 H HA   . THR   B 1 34  ? -25.585 10.394  -2.659  1   57.773  ? 46  THR   B HA   1 c 2 
ATOM   2304 H HB   . THR   B 1 34  ? -23.236 10.18   -2.767  1   53.479  ? 46  THR   B HB   1 c 2 
ATOM   2305 H HG1  . THR   B 1 34  ? -23.464 12.631  -3.812  0   30      ? 46  THR   B HG1  1 c 2 
ATOM   2306 H HG21 . THR   B 1 34  ? -22.906 9.993   -5.061  1   54.794  ? 46  THR   B HG21 1 c 2 
ATOM   2307 H HG22 . THR   B 1 34  ? -24.15  10.931  -5.356  1   57.83   ? 46  THR   B HG22 1 c 2 
ATOM   2308 H HG23 . THR   B 1 34  ? -24.375 9.483   -4.747  1   55.784  ? 46  THR   B HG23 1 c 2 
ATOM   2309 N N    . PRO   B 1 35  ? -24.75  11.195  -0.29   1   53.084  ? 47  PRO   B N    1 ? 2 
ATOM   2310 C CA   . PRO   B 1 35  ? -24.777 11.877  1.003   1   54.064  ? 47  PRO   B CA   1 ? 2 
ATOM   2311 C C    . PRO   B 1 35  ? -23.544 12.747  1.227   1   50.68   ? 47  PRO   B C    1 ? 2 
ATOM   2312 O O    . PRO   B 1 35  ? -22.468 12.413  0.719   1   51.019  ? 47  PRO   B O    1 ? 2 
ATOM   2313 C CB   . PRO   B 1 35  ? -24.923 10.771  2.026   1   53.051  ? 47  PRO   B CB   1 ? 2 
ATOM   2314 C CG   . PRO   B 1 35  ? -24.616 9.463   1.28    1   50.058  ? 47  PRO   B CG   1 ? 2 
ATOM   2315 C CD   . PRO   B 1 35  ? -24.659 9.718   -0.202  1   50.349  ? 47  PRO   B CD   1 ? 2 
ATOM   2316 H HA   . PRO   B 1 35  ? -25.576 12.443  1.043   1   55.396  ? 47  PRO   B HA   1 c 2 
ATOM   2317 H HB2  . PRO   B 1 35  ? -24.301 10.901  2.766   1   51.203  ? 47  PRO   B HB2  1 c 2 
ATOM   2318 H HB3  . PRO   B 1 35  ? -25.829 10.755  2.388   1   53.759  ? 47  PRO   B HB3  1 c 2 
ATOM   2319 H HG2  . PRO   B 1 35  ? -23.732 9.13    1.534   1   48.407  ? 47  PRO   B HG2  1 c 2 
ATOM   2320 H HG3  . PRO   B 1 35  ? -25.276 8.78    1.517   1   50.493  ? 47  PRO   B HG3  1 c 2 
ATOM   2321 H HD2  . PRO   B 1 35  ? -23.851 9.392   -0.643  1   49.804  ? 47  PRO   B HD2  1 c 2 
ATOM   2322 H HD3  . PRO   B 1 35  ? -25.441 9.3     -0.609  1   52.075  ? 47  PRO   B HD3  1 c 2 
ATOM   2323 N N    . MET   B 1 36  ? -23.76  13.867  1.938   1   60.15   ? 48  MET   B N    1 ? 2 
ATOM   2324 C CA   . MET   B 1 36  ? -22.714 14.794  2.333   1   55.769  ? 48  MET   B CA   1 ? 2 
ATOM   2325 C C    . MET   B 1 36  ? -22.301 14.446  3.769   1   53.513  ? 48  MET   B C    1 ? 2 
ATOM   2326 O O    . MET   B 1 36  ? -23.023 13.765  4.522   1   46.357  ? 48  MET   B O    1 ? 2 
ATOM   2327 C CB   . MET   B 1 36  ? -23.181 16.251  2.239   1   61.933  ? 48  MET   B CB   1 ? 2 
ATOM   2328 C CG   . MET   B 1 36  ? -23.55  16.818  0.839   1   61.992  ? 48  MET   B CG   1 ? 2 
ATOM   2329 S SD   . MET   B 1 36  ? -22.304 16.755  -0.48   1   60.34   ? 48  MET   B SD   1 ? 2 
ATOM   2330 C CE   . MET   B 1 36  ? -23.06  17.8    -1.738  1   65.881  ? 48  MET   B CE   1 ? 2 
ATOM   2331 H H    . MET   B 1 36  ? -24.617 14.06   2.187   1   58.291  ? 48  MET   B H    1 c 2 
ATOM   2332 H HA   . MET   B 1 36  ? -21.933 14.66   1.738   1   56.175  ? 48  MET   B HA   1 c 2 
ATOM   2333 H HB2  . MET   B 1 36  ? -23.964 16.351  2.822   1   61.542  ? 48  MET   B HB2  1 c 2 
ATOM   2334 H HB3  . MET   B 1 36  ? -22.472 16.815  2.616   1   60.641  ? 48  MET   B HB3  1 c 2 
ATOM   2335 H HG2  . MET   B 1 36  ? -24.34  16.339  0.518   1   62.703  ? 48  MET   B HG2  1 c 2 
ATOM   2336 H HG3  . MET   B 1 36  ? -23.812 17.753  0.95    1   64.207  ? 48  MET   B HG3  1 c 2 
ATOM   2337 H HE1  . MET   B 1 36  ? -22.432 17.93   -2.473  1   65.933  ? 48  MET   B HE1  1 c 2 
ATOM   2338 H HE2  . MET   B 1 36  ? -23.868 17.369  -2.074  1   66.037  ? 48  MET   B HE2  1 c 2 
ATOM   2339 H HE3  . MET   B 1 36  ? -23.292 18.663  -1.349  1   66.992  ? 48  MET   B HE3  1 c 2 
ATOM   2340 N N    . ILE   B 1 37  ? -21.081 14.866  4.128   1   46.828  ? 49  ILE   B N    1 ? 2 
ATOM   2341 C CA   . ILE   B 1 37  ? -20.582 14.671  5.474   1   46.053  ? 49  ILE   B CA   1 ? 2 
ATOM   2342 C C    . ILE   B 1 37  ? -21.584 15.271  6.47    1   42.758  ? 49  ILE   B C    1 ? 2 
ATOM   2343 O O    . ILE   B 1 37  ? -22.045 16.411  6.334   1   44.459  ? 49  ILE   B O    1 ? 2 
ATOM   2344 C CB   . ILE   B 1 37  ? -19.152 15.236  5.679   1   46.229  ? 49  ILE   B CB   1 ? 2 
ATOM   2345 C CG1  . ILE   B 1 37  ? -18.074 14.662  4.69    1   46.294  ? 49  ILE   B CG1  1 ? 2 
ATOM   2346 C CG2  . ILE   B 1 37  ? -18.714 15.071  7.126   1   42.573  ? 49  ILE   B CG2  1 ? 2 
ATOM   2347 C CD1  . ILE   B 1 37  ? -18.155 13.214  4.287   1   48.531  ? 49  ILE   B CD1  1 ? 2 
ATOM   2348 H H    . ILE   B 1 37  ? -20.549 15.288  3.515   1   48.669  ? 49  ILE   B H    1 c 2 
ATOM   2349 H HA   . ILE   B 1 37  ? -20.543 13.708  5.634   1   43.447  ? 49  ILE   B HA   1 c 2 
ATOM   2350 H HB   . ILE   B 1 37  ? -19.204 16.197  5.508   1   47.487  ? 49  ILE   B HB   1 c 2 
ATOM   2351 H HG12 . ILE   B 1 37  ? -18.106 15.2    3.874   1   48.003  ? 49  ILE   B HG12 1 c 2 
ATOM   2352 H HG13 . ILE   B 1 37  ? -17.194 14.809  5.092   1   46.646  ? 49  ILE   B HG13 1 c 2 
ATOM   2353 H HG21 . ILE   B 1 37  ? -17.79  15.358  7.223   1   43.526  ? 49  ILE   B HG21 1 c 2 
ATOM   2354 H HG22 . ILE   B 1 37  ? -18.789 14.138  7.385   1   42.052  ? 49  ILE   B HG22 1 c 2 
ATOM   2355 H HG23 . ILE   B 1 37  ? -19.278 15.611  7.704   1   44.864  ? 49  ILE   B HG23 1 c 2 
ATOM   2356 H HD11 . ILE   B 1 37  ? -18.097 12.649  5.081   1   46.099  ? 49  ILE   B HD11 1 c 2 
ATOM   2357 H HD12 . ILE   B 1 37  ? -17.415 13.003  3.686   1   46.693  ? 49  ILE   B HD12 1 c 2 
ATOM   2358 H HD13 . ILE   B 1 37  ? -19     13.045  3.83    1   47.517  ? 49  ILE   B HD13 1 c 2 
ATOM   2359 N N    . GLY   B 1 38  ? -21.904 14.482  7.509   1   39.597  ? 50  GLY   B N    1 ? 2 
ATOM   2360 C CA   . GLY   B 1 38  ? -22.782 14.917  8.579   1   44.333  ? 50  GLY   B CA   1 ? 2 
ATOM   2361 C C    . GLY   B 1 38  ? -24.212 14.382  8.406   1   46.414  ? 50  GLY   B C    1 ? 2 
ATOM   2362 O O    . GLY   B 1 38  ? -25.007 14.433  9.341   1   49.341  ? 50  GLY   B O    1 ? 2 
ATOM   2363 H H    . GLY   B 1 38  ? -21.556 13.638  7.548   1   39.19   ? 50  GLY   B H    1 c 2 
ATOM   2364 H HA2  . GLY   B 1 38  ? -22.417 14.6    9.439   1   43.38   ? 50  GLY   B HA2  1 c 2 
ATOM   2365 H HA3  . GLY   B 1 38  ? -22.801 15.902  8.606   1   45.533  ? 50  GLY   B HA3  1 c 2 
ATOM   2366 N N    . ASP   B 1 39  ? -24.54  13.914  7.217   1   42.646  ? 51  ASP   B N    1 ? 2 
ATOM   2367 C CA   . ASP   B 1 39  ? -25.869 13.36   6.97    1   50.042  ? 51  ASP   B CA   1 ? 2 
ATOM   2368 C C    . ASP   B 1 39  ? -26.09  12.14   7.876   1   47.077  ? 51  ASP   B C    1 ? 2 
ATOM   2369 O O    . ASP   B 1 39  ? -25.163 11.38   8.139   1   43.27   ? 51  ASP   B O    1 ? 2 
ATOM   2370 C CB   . ASP   B 1 39  ? -26.082 13.052  5.489   1   47.031  ? 51  ASP   B CB   1 ? 2 
ATOM   2371 C CG   . ASP   B 1 39  ? -26.273 14.223  4.521   1   50.118  ? 51  ASP   B CG   1 ? 2 
ATOM   2372 O OD1  . ASP   B 1 39  ? -26.428 15.382  4.995   1   52.527  ? 51  ASP   B OD1  1 ? 2 
ATOM   2373 O OD2  . ASP   B 1 39  ? -26.229 13.987  3.269   1   47.556  ? 51  ASP   B OD2  1 ? 2 
ATOM   2374 H H    . ASP   B 1 39  ? -23.936 13.935  6.531   1   43.67   ? 51  ASP   B H    1 c 2 
ATOM   2375 H HA   . ASP   B 1 39  ? -26.531 14.045  7.215   1   49.991  ? 51  ASP   B HA   1 c 2 
ATOM   2376 H HB2  . ASP   B 1 39  ? -25.314 12.532  5.175   1   45.975  ? 51  ASP   B HB2  1 c 2 
ATOM   2377 H HB3  . ASP   B 1 39  ? -26.873 12.478  5.412   1   48.601  ? 51  ASP   B HB3  1 c 2 
ATOM   2378 N N    . LYS   B 1 40  ? -27.32  11.978  8.399   1   51.884  ? 52  LYS   B N    1 ? 2 
ATOM   2379 C CA   . LYS   B 1 40  ? -27.747 10.734  9.038   1   51.978  ? 52  LYS   B CA   1 ? 2 
ATOM   2380 C C    . LYS   B 1 40  ? -28.054 9.737   7.915   1   48.739  ? 52  LYS   B C    1 ? 2 
ATOM   2381 O O    . LYS   B 1 40  ? -28.834 10.046  7.026   1   52.592  ? 52  LYS   B O    1 ? 2 
ATOM   2382 C CB   . LYS   B 1 40  ? -28.951 10.955  9.977   1   59.551  ? 52  LYS   B CB   1 ? 2 
ATOM   2383 C CG   . LYS   B 1 40  ? -29.657 9.739   10.622  1   61.256  ? 52  LYS   B CG   1 ? 2 
ATOM   2384 H H    . LYS   B 1 40  ? -27.914 12.671  8.355   1   53.338  ? 52  LYS   B H    1 c 2 
ATOM   2385 H HA   . LYS   B 1 40  ? -26.992 10.385  9.576   1   50.555  ? 52  LYS   B HA   1 c 2 
ATOM   2386 H HB2  . LYS   B 1 40  ? -28.65  11.54   10.705  1   59.162  ? 52  LYS   B HB2  1 c 2 
ATOM   2387 H HB3  . LYS   B 1 40  ? -29.628 11.455  9.473   1   60.383  ? 52  LYS   B HB3  1 c 2 
ATOM   2388 H HG2  . LYS   B 1 40  ? -28.801 9.245   11.102  0   30      ? 52  LYS   B HG2  1 c 2 
ATOM   2389 H HG3  . LYS   B 1 40  ? -30.515 9.865   10.712  0   30      ? 52  LYS   B HG3  1 c 2 
ATOM   2390 N N    . VAL   B 1 41  ? -27.431 8.547   7.962   1   47.571  ? 53  VAL   B N    1 ? 2 
ATOM   2391 C CA   . VAL   B 1 41  ? -27.499 7.592   6.866   1   45.028  ? 53  VAL   B CA   1 ? 2 
ATOM   2392 C C    . VAL   B 1 41  ? -28.099 6.272   7.38    1   45.408  ? 53  VAL   B C    1 ? 2 
ATOM   2393 O O    . VAL   B 1 41  ? -27.788 5.828   8.495   1   45.84   ? 53  VAL   B O    1 ? 2 
ATOM   2394 C CB   . VAL   B 1 41  ? -26.106 7.354   6.265   1   46.106  ? 53  VAL   B CB   1 ? 2 
ATOM   2395 C CG1  . VAL   B 1 41  ? -26.108 6.19    5.293   1   42.119  ? 53  VAL   B CG1  1 ? 2 
ATOM   2396 C CG2  . VAL   B 1 41  ? -25.591 8.627   5.587   1   44.83   ? 53  VAL   B CG2  1 ? 2 
ATOM   2397 H H    . VAL   B 1 41  ? -26.951 8.324   8.707   1   46.126  ? 53  VAL   B H    1 c 2 
ATOM   2398 H HA   . VAL   B 1 41  ? -28.082 7.952   6.171   1   47.347  ? 53  VAL   B HA   1 c 2 
ATOM   2399 H HB   . VAL   B 1 41  ? -25.498 7.133   7.009   1   43.321  ? 53  VAL   B HB   1 c 2 
ATOM   2400 H HG11 . VAL   B 1 41  ? -26.886 6.254   4.715   1   44.705  ? 53  VAL   B HG11 1 c 2 
ATOM   2401 H HG12 . VAL   B 1 41  ? -26.139 5.353   5.786   1   42.75   ? 53  VAL   B HG12 1 c 2 
ATOM   2402 H HG13 . VAL   B 1 41  ? -25.301 6.216   4.754   1   41.736  ? 53  VAL   B HG13 1 c 2 
ATOM   2403 H HG21 . VAL   B 1 41  ? -24.734 8.447   5.166   1   43.596  ? 53  VAL   B HG21 1 c 2 
ATOM   2404 H HG22 . VAL   B 1 41  ? -25.484 9.328   6.251   1   45.566  ? 53  VAL   B HG22 1 c 2 
ATOM   2405 H HG23 . VAL   B 1 41  ? -26.229 8.916   4.912   1   46.571  ? 53  VAL   B HG23 1 c 2 
ATOM   2406 N N    . TYR   B 1 42  ? -28.953 5.664   6.548   1   47.276  ? 54  TYR   B N    1 ? 2 
ATOM   2407 C CA   . TYR   B 1 42  ? -29.69  4.454   6.934   1   50.048  ? 54  TYR   B CA   1 ? 2 
ATOM   2408 C C    . TYR   B 1 42  ? -29.33  3.348   5.945   1   43.389  ? 54  TYR   B C    1 ? 2 
ATOM   2409 O O    . TYR   B 1 42  ? -29.522 3.565   4.75    1   44.184  ? 54  TYR   B O    1 ? 2 
ATOM   2410 C CB   . TYR   B 1 42  ? -31.218 4.619   6.892   1   58.88   ? 54  TYR   B CB   1 ? 2 
ATOM   2411 C CG   . TYR   B 1 42  ? -31.757 5.788   7.7     1   66.767  ? 54  TYR   B CG   1 ? 2 
ATOM   2412 C CD1  . TYR   B 1 42  ? -31.654 7.08    7.204   1   68.748  ? 54  TYR   B CD1  1 ? 2 
ATOM   2413 C CD2  . TYR   B 1 42  ? -32.347 5.613   8.948   1   70.484  ? 54  TYR   B CD2  1 ? 2 
ATOM   2414 C CE1  . TYR   B 1 42  ? -32.148 8.166   7.907   1   76.122  ? 54  TYR   B CE1  1 ? 2 
ATOM   2415 C CE2  . TYR   B 1 42  ? -32.831 6.695   9.672   1   78.414  ? 54  TYR   B CE2  1 ? 2 
ATOM   2416 C CZ   . TYR   B 1 42  ? -32.728 7.976   9.149   1   82.144  ? 54  TYR   B CZ   1 ? 2 
ATOM   2417 O OH   . TYR   B 1 42  ? -33.177 9.087   9.807   1   92.83   ? 54  TYR   B OH   1 ? 2 
ATOM   2418 H H    . TYR   B 1 42  ? -29.083 6.007   5.711   1   47.84   ? 54  TYR   B H    1 c 2 
ATOM   2419 H HA   . TYR   B 1 42  ? -29.416 4.178   7.849   1   48.974  ? 54  TYR   B HA   1 c 2 
ATOM   2420 H HB2  . TYR   B 1 42  ? -31.494 4.731   5.955   1   59.385  ? 54  TYR   B HB2  1 c 2 
ATOM   2421 H HB3  . TYR   B 1 42  ? -31.628 3.79    7.225   1   59.933  ? 54  TYR   B HB3  1 c 2 
ATOM   2422 H HD1  . TYR   B 1 42  ? -31.262 7.221   6.358   1   68.303  ? 54  TYR   B HD1  1 c 2 
ATOM   2423 H HD2  . TYR   B 1 42  ? -32.425 4.743   9.307   1   71.542  ? 54  TYR   B HD2  1 c 2 
ATOM   2424 H HE1  . TYR   B 1 42  ? -32.065 9.036   7.553   1   75.871  ? 54  TYR   B HE1  1 c 2 
ATOM   2425 H HE2  . TYR   B 1 42  ? -33.232 6.56    10.514  1   79.477  ? 54  TYR   B HE2  1 c 2 
ATOM   2426 H HH   . TYR   B 1 42  ? -33.055 9.783   9.344   0   30      ? 54  TYR   B HH   1 c 2 
ATOM   2427 N N    . VAL   B 1 43  ? -28.79  2.2     6.425   1   45.742  ? 55  VAL   B N    1 ? 2 
ATOM   2428 C CA   . VAL   B 1 43  ? -28.319 1.163   5.499   1   43.825  ? 55  VAL   B CA   1 ? 2 
ATOM   2429 C C    . VAL   B 1 43  ? -28.756 -0.233  5.967   1   45.267  ? 55  VAL   B C    1 ? 2 
ATOM   2430 O O    . VAL   B 1 43  ? -29.048 -0.435  7.145   1   43.381  ? 55  VAL   B O    1 ? 2 
ATOM   2431 C CB   . VAL   B 1 43  ? -26.796 1.118   5.274   1   42.466  ? 55  VAL   B CB   1 ? 2 
ATOM   2432 C CG1  . VAL   B 1 43  ? -26.241 2.44    4.752   1   40.11   ? 55  VAL   B CG1  1 ? 2 
ATOM   2433 C CG2  . VAL   B 1 43  ? -26.084 0.679   6.545   1   41.444  ? 55  VAL   B CG2  1 ? 2 
ATOM   2434 H H    . VAL   B 1 43  ? -28.716 2.065   7.326   1   44.625  ? 55  VAL   B H    1 c 2 
ATOM   2435 H HA   . VAL   B 1 43  ? -28.739 1.329   4.635   1   45.398  ? 55  VAL   B HA   1 c 2 
ATOM   2436 H HB   . VAL   B 1 43  ? -26.626 0.432   4.586   1   41.806  ? 55  VAL   B HB   1 c 2 
ATOM   2437 H HG11 . VAL   B 1 43  ? -26.41  3.141   5.402   1   40.771  ? 55  VAL   B HG11 1 c 2 
ATOM   2438 H HG12 . VAL   B 1 43  ? -26.676 2.666   3.913   1   41.525  ? 55  VAL   B HG12 1 c 2 
ATOM   2439 H HG13 . VAL   B 1 43  ? -25.283 2.356   4.608   1   38.707  ? 55  VAL   B HG13 1 c 2 
ATOM   2440 H HG21 . VAL   B 1 43  ? -25.125 0.764   6.422   1   39.422  ? 55  VAL   B HG21 1 c 2 
ATOM   2441 H HG22 . VAL   B 1 43  ? -26.302 -0.247  6.741   1   41.988  ? 55  VAL   B HG22 1 c 2 
ATOM   2442 H HG23 . VAL   B 1 43  ? -26.365 1.242   7.286   1   41.908  ? 55  VAL   B HG23 1 c 2 
ATOM   2443 N N    . HIS   B 1 44  ? -28.786 -1.175  5.016   1   47.078  ? 56  HIS   B N    1 ? 2 
ATOM   2444 C CA   . HIS   B 1 44  ? -28.684 -2.601  5.33    1   52.681  ? 56  HIS   B CA   1 ? 2 
ATOM   2445 C C    . HIS   B 1 44  ? -27.344 -3.096  4.799   1   44.695  ? 56  HIS   B C    1 ? 2 
ATOM   2446 O O    . HIS   B 1 44  ? -26.893 -2.594  3.782   1   47.789  ? 56  HIS   B O    1 ? 2 
ATOM   2447 C CB   . HIS   B 1 44  ? -29.867 -3.428  4.764   1   60.707  ? 56  HIS   B CB   1 ? 2 
ATOM   2448 C CG   . HIS   B 1 44  ? -31.035 -3.493  5.689   1   67.118  ? 56  HIS   B CG   1 ? 2 
ATOM   2449 N ND1  . HIS   B 1 44  ? -30.961 -3.934  6.997   1   68.372  ? 56  HIS   B ND1  1 ? 2 
ATOM   2450 C CD2  . HIS   B 1 44  ? -32.314 -3.136  5.489   1   71.248  ? 56  HIS   B CD2  1 ? 2 
ATOM   2451 C CE1  . HIS   B 1 44  ? -32.145 -3.789  7.566   1   70.066  ? 56  HIS   B CE1  1 ? 2 
ATOM   2452 N NE2  . HIS   B 1 44  ? -32.978 -3.295  6.67    1   69.614  ? 56  HIS   B NE2  1 ? 2 
ATOM   2453 H H    . HIS   B 1 44  ? -28.875 -0.924  4.141   1   48.04   ? 56  HIS   B H    1 c 2 
ATOM   2454 H HA   . HIS   B 1 44  ? -28.676 -2.696  6.313   1   51.258  ? 56  HIS   B HA   1 c 2 
ATOM   2455 H HB2  . HIS   B 1 44  ? -30.154 -3.027  3.914   1   61.018  ? 56  HIS   B HB2  1 c 2 
ATOM   2456 H HB3  . HIS   B 1 44  ? -29.556 -4.341  4.578   1   60.281  ? 56  HIS   B HB3  1 c 2 
ATOM   2457 H HD1  . HIS   B 1 44  ? -30.197 -4.235  7.404   0   30      ? 56  HIS   B HD1  1 c 2 
ATOM   2458 H HD2  . HIS   B 1 44  ? -32.675 -2.771  4.705   1   71.038  ? 56  HIS   B HD2  1 c 2 
ATOM   2459 H HE1  . HIS   B 1 44  ? -32.365 -4.034  8.449   1   71.055  ? 56  HIS   B HE1  1 c 2 
ATOM   2460 H HE2  . HIS   B 1 44  ? -33.826 -3.204  6.863   0   30      ? 56  HIS   B HE2  1 c 2 
ATOM   2461 N N    . TYR   B 1 45  ? -26.707 -4.05   5.478   1   43.203  ? 57  TYR   B N    1 ? 2 
ATOM   2462 C CA   . TYR   B 1 45  ? -25.391 -4.54   5.095   1   38.491  ? 57  TYR   B CA   1 ? 2 
ATOM   2463 C C    . TYR   B 1 45  ? -25.203 -6.016  5.456   1   39.643  ? 57  TYR   B C    1 ? 2 
ATOM   2464 O O    . TYR   B 1 45  ? -25.807 -6.524  6.397   1   42.842  ? 57  TYR   B O    1 ? 2 
ATOM   2465 C CB   . TYR   B 1 45  ? -24.268 -3.72   5.772   1   35.705  ? 57  TYR   B CB   1 ? 2 
ATOM   2466 C CG   . TYR   B 1 45  ? -23.995 -4.012  7.245   1   35.071  ? 57  TYR   B CG   1 ? 2 
ATOM   2467 C CD1  . TYR   B 1 45  ? -24.692 -3.352  8.246   1   36.432  ? 57  TYR   B CD1  1 ? 2 
ATOM   2468 C CD2  . TYR   B 1 45  ? -23.017 -4.905  7.638   1   35.055  ? 57  TYR   B CD2  1 ? 2 
ATOM   2469 C CE1  . TYR   B 1 45  ? -24.433 -3.577  9.588   1   37.494  ? 57  TYR   B CE1  1 ? 2 
ATOM   2470 C CE2  . TYR   B 1 45  ? -22.812 -5.209  8.96    1   34.514  ? 57  TYR   B CE2  1 ? 2 
ATOM   2471 C CZ   . TYR   B 1 45  ? -23.501 -4.518  9.941   1   33.188  ? 57  TYR   B CZ   1 ? 2 
ATOM   2472 O OH   . TYR   B 1 45  ? -23.295 -4.788  11.238  1   37.55   ? 57  TYR   B OH   1 ? 2 
ATOM   2473 H H    . TYR   B 1 45  ? -27.11  -4.412  6.214   1   43.982  ? 57  TYR   B H    1 c 2 
ATOM   2474 H HA   . TYR   B 1 45  ? -25.299 -4.444  4.113   1   39.052  ? 57  TYR   B HA   1 c 2 
ATOM   2475 H HB2  . TYR   B 1 45  ? -23.438 -3.868  5.268   1   34.348  ? 57  TYR   B HB2  1 c 2 
ATOM   2476 H HB3  . TYR   B 1 45  ? -24.492 -2.767  5.681   1   35.423  ? 57  TYR   B HB3  1 c 2 
ATOM   2477 H HD1  . TYR   B 1 45  ? -25.337 -2.706  8.007   1   37.294  ? 57  TYR   B HD1  1 c 2 
ATOM   2478 H HD2  . TYR   B 1 45  ? -22.551 -5.395  6.979   1   34.18   ? 57  TYR   B HD2  1 c 2 
ATOM   2479 H HE1  . TYR   B 1 45  ? -24.939 -3.139  10.251  1   37.485  ? 57  TYR   B HE1  1 c 2 
ATOM   2480 H HE2  . TYR   B 1 45  ? -22.149 -5.831  9.2     1   33.79   ? 57  TYR   B HE2  1 c 2 
ATOM   2481 H HH   . TYR   B 1 45  ? -23.7   -4.331  11.737  0   30      ? 57  TYR   B HH   1 c 2 
ATOM   2482 N N    . LYS   B 1 46  ? -24.296 -6.673  4.733   1   38.716  ? 58  LYS   B N    1 ? 2 
ATOM   2483 C CA   . LYS   B 1 46  ? -23.681 -7.928  5.115   1   37.983  ? 58  LYS   B CA   1 ? 2 
ATOM   2484 C C    . LYS   B 1 46  ? -22.167 -7.789  5.022   1   35.432  ? 58  LYS   B C    1 ? 2 
ATOM   2485 O O    . LYS   B 1 46  ? -21.629 -7.224  4.08    1   36.316  ? 58  LYS   B O    1 ? 2 
ATOM   2486 C CB   . LYS   B 1 46  ? -24.229 -8.975  4.143   1   39.303  ? 58  LYS   B CB   1 ? 2 
ATOM   2487 C CG   . LYS   B 1 46  ? -25.686 -9.251  4.249   1   42.643  ? 58  LYS   B CG   1 ? 2 
ATOM   2488 C CD   . LYS   B 1 46  ? -26.122 -10.357 3.274   1   45.678  ? 58  LYS   B CD   1 ? 2 
ATOM   2489 C CE   . LYS   B 1 46  ? -27.57  -10.663 3.292   1   50.378  ? 58  LYS   B CE   1 ? 2 
ATOM   2490 N NZ   . LYS   B 1 46  ? -27.926 -11.606 2.222   1   51.945  ? 58  LYS   B NZ   1 ? 2 
ATOM   2491 H H    . LYS   B 1 46  ? -24.044 -6.305  3.935   1   37.907  ? 58  LYS   B H    1 c 2 
ATOM   2492 H HA   . LYS   B 1 46  ? -23.942 -8.149  6.043   1   38.712  ? 58  LYS   B HA   1 c 2 
ATOM   2493 H HB2  . LYS   B 1 46  ? -24.039 -8.678  3.227   1   39.24   ? 58  LYS   B HB2  1 c 2 
ATOM   2494 H HB3  . LYS   B 1 46  ? -23.745 -9.816  4.287   1   39.812  ? 58  LYS   B HB3  1 c 2 
ATOM   2495 H HG2  . LYS   B 1 46  ? -25.893 -9.526  5.168   1   43.335  ? 58  LYS   B HG2  1 c 2 
ATOM   2496 H HG3  . LYS   B 1 46  ? -26.184 -8.428  4.052   1   42.692  ? 58  LYS   B HG3  1 c 2 
ATOM   2497 H HD2  . LYS   B 1 46  ? -25.867 -10.088 2.365   1   45.392  ? 58  LYS   B HD2  1 c 2 
ATOM   2498 H HD3  . LYS   B 1 46  ? -25.623 -11.175 3.489   1   45.98   ? 58  LYS   B HD3  1 c 2 
ATOM   2499 H HE2  . LYS   B 1 46  ? -27.811 -11.051 4.152   1   50.698  ? 58  LYS   B HE2  1 c 2 
ATOM   2500 H HE3  . LYS   B 1 46  ? -28.079 -9.841  3.174   1   49.84   ? 58  LYS   B HE3  1 c 2 
ATOM   2501 H HZ1  . LYS   B 1 46  ? -27.499 -12.394 2.354   1   52.624  ? 58  LYS   B HZ1  1 c 2 
ATOM   2502 H HZ2  . LYS   B 1 46  ? -27.684 -11.266 1.418   1   51.742  ? 58  LYS   B HZ2  1 c 2 
ATOM   2503 H HZ3  . LYS   B 1 46  ? -28.82  -11.747 2.228   1   54.839  ? 58  LYS   B HZ3  1 c 2 
ATOM   2504 N N    . GLY   B 1 47  ? -21.449 -8.239  6.035   1   36.571  ? 59  GLY   B N    1 ? 2 
ATOM   2505 C CA   . GLY   B 1 47  ? -20.002 -8.108  6.02    1   32.678  ? 59  GLY   B CA   1 ? 2 
ATOM   2506 C C    . GLY   B 1 47  ? -19.327 -9.43   6.363   1   33.971  ? 59  GLY   B C    1 ? 2 
ATOM   2507 O O    . GLY   B 1 47  ? -19.931 -10.281 7.051   1   36.175  ? 59  GLY   B O    1 ? 2 
ATOM   2508 H H    . GLY   B 1 47  ? -21.856 -8.636  6.751   1   36.75   ? 59  GLY   B H    1 c 2 
ATOM   2509 H HA2  . GLY   B 1 47  ? -19.71  -7.812  5.129   1   32.667  ? 59  GLY   B HA2  1 c 2 
ATOM   2510 H HA3  . GLY   B 1 47  ? -19.733 -7.42   6.673   1   32.147  ? 59  GLY   B HA3  1 c 2 
ATOM   2511 N N    . LYS   B 1 48  ? -18.073 -9.587  5.928   1   29.535  ? 60  LYS   B N    1 ? 2 
ATOM   2512 C CA   . LYS   B 1 48  ? -17.308 -10.733 6.381   1   32.77   ? 60  LYS   B CA   1 ? 2 
ATOM   2513 C C    . LYS   B 1 48  ? -15.822 -10.434 6.336   1   30.692  ? 60  LYS   B C    1 ? 2 
ATOM   2514 O O    . LYS   B 1 48  ? -15.396 -9.532  5.626   1   30.812  ? 60  LYS   B O    1 ? 2 
ATOM   2515 C CB   . LYS   B 1 48  ? -17.648 -12.005 5.597   1   39.257  ? 60  LYS   B CB   1 ? 2 
ATOM   2516 C CG   . LYS   B 1 48  ? -17.163 -12.035 4.183   1   41.846  ? 60  LYS   B CG   1 ? 2 
ATOM   2517 C CD   . LYS   B 1 48  ? -17.153 -13.475 3.649   1   55.911  ? 60  LYS   B CD   1 ? 2 
ATOM   2518 C CE   . LYS   B 1 48  ? -16.296 -13.763 2.434   1   66.978  ? 60  LYS   B CE   1 ? 2 
ATOM   2519 N NZ   . LYS   B 1 48  ? -15.062 -12.963 2.328   1   66.581  ? 60  LYS   B NZ   1 ? 2 
ATOM   2520 H H    . LYS   B 1 48  ? -17.696 -8.986  5.352   1   29.866  ? 60  LYS   B H    1 c 2 
ATOM   2521 H HA   . LYS   B 1 48  ? -17.548 -10.899 7.328   1   33.349  ? 60  LYS   B HA   1 c 2 
ATOM   2522 H HB2  . LYS   B 1 48  ? -17.265 -12.773 6.072   1   39.713  ? 60  LYS   B HB2  1 c 2 
ATOM   2523 H HB3  . LYS   B 1 48  ? -18.623 -12.118 5.591   1   39.923  ? 60  LYS   B HB3  1 c 2 
ATOM   2524 H HG2  . LYS   B 1 48  ? -17.755 -11.482 3.628   1   43.372  ? 60  LYS   B HG2  1 c 2 
ATOM   2525 H HG3  . LYS   B 1 48  ? -16.257 -11.662 4.144   1   42.403  ? 60  LYS   B HG3  1 c 2 
ATOM   2526 H HD2  . LYS   B 1 48  ? -16.861 -14.067 4.376   1   55.137  ? 60  LYS   B HD2  1 c 2 
ATOM   2527 H HD3  . LYS   B 1 48  ? -18.079 -13.725 3.441   1   56.248  ? 60  LYS   B HD3  1 c 2 
ATOM   2528 H HE2  . LYS   B 1 48  ? -16.051 -14.705 2.442   1   66.181  ? 60  LYS   B HE2  1 c 2 
ATOM   2529 H HE3  . LYS   B 1 48  ? -16.831 -13.608 1.635   1   65.409  ? 60  LYS   B HE3  1 c 2 
ATOM   2530 H HZ1  . LYS   B 1 48  ? -14.616 -12.976 3.116   1   65.067  ? 60  LYS   B HZ1  1 c 2 
ATOM   2531 H HZ2  . LYS   B 1 48  ? -15.265 -12.107 2.111   1   64.567  ? 60  LYS   B HZ2  1 c 2 
ATOM   2532 H HZ3  . LYS   B 1 48  ? -14.531 -13.311 1.681   1   66.719  ? 60  LYS   B HZ3  1 c 2 
ATOM   2533 N N    . LEU   B 1 49  ? -15.051 -11.252 7.049   1   31.243  ? 61  LEU   B N    1 ? 2 
ATOM   2534 C CA   . LEU   B 1 49  ? -13.606 -11.228 7.002   1   32.969  ? 61  LEU   B CA   1 ? 2 
ATOM   2535 C C    . LEU   B 1 49  ? -13.201 -11.965 5.735   1   35.88   ? 61  LEU   B C    1 ? 2 
ATOM   2536 O O    . LEU   B 1 49  ? -13.834 -12.971 5.422   1   36.565  ? 61  LEU   B O    1 ? 2 
ATOM   2537 C CB   . LEU   B 1 49  ? -13.022 -11.939 8.217   1   34.32   ? 61  LEU   B CB   1 ? 2 
ATOM   2538 C CG   . LEU   B 1 49  ? -13.344 -11.335 9.579   1   36.172  ? 61  LEU   B CG   1 ? 2 
ATOM   2539 C CD1  . LEU   B 1 49  ? -12.662 -12.079 10.683  1   38.611  ? 61  LEU   B CD1  1 ? 2 
ATOM   2540 C CD2  . LEU   B 1 49  ? -12.92  -9.885  9.522   1   34.85   ? 61  LEU   B CD2  1 ? 2 
ATOM   2541 H H    . LEU   B 1 49  ? -15.454 -11.863 7.596   1   32.939  ? 61  LEU   B H    1 c 2 
ATOM   2542 H HA   . LEU   B 1 49  ? -13.29  -10.29  6.964   1   31.611  ? 61  LEU   B HA   1 c 2 
ATOM   2543 H HB2  . LEU   B 1 49  ? -13.346 -12.868 8.209   1   36.206  ? 61  LEU   B HB2  1 c 2 
ATOM   2544 H HB3  . LEU   B 1 49  ? -12.042 -11.967 8.114   1   34.576  ? 61  LEU   B HB3  1 c 2 
ATOM   2545 H HG   . LEU   B 1 49  ? -14.324 -11.377 9.722   1   36.542  ? 61  LEU   B HG   1 c 2 
ATOM   2546 H HD11 . LEU   B 1 49  ? -12.956 -13.005 10.681  1   39.737  ? 61  LEU   B HD11 1 c 2 
ATOM   2547 H HD12 . LEU   B 1 49  ? -12.886 -11.671 11.536  1   38.303  ? 61  LEU   B HD12 1 c 2 
ATOM   2548 H HD13 . LEU   B 1 49  ? -11.699 -12.045 10.552  1   38.027  ? 61  LEU   B HD13 1 c 2 
ATOM   2549 H HD21 . LEU   B 1 49  ? -13.574 -9.376  9.014   1   33.994  ? 61  LEU   B HD21 1 c 2 
ATOM   2550 H HD22 . LEU   B 1 49  ? -12.05  -9.815  9.095   1   34.254  ? 61  LEU   B HD22 1 c 2 
ATOM   2551 H HD23 . LEU   B 1 49  ? -12.866 -9.528  10.424  1   34.632  ? 61  LEU   B HD23 1 c 2 
ATOM   2552 N N    . SER   B 1 50  ? -12.071 -11.593 5.136   1   37.92   ? 62  SER   B N    1 ? 2 
ATOM   2553 C CA   . SER   B 1 50  ? -11.491 -12.461 4.099   1   42.208  ? 62  SER   B CA   1 ? 2 
ATOM   2554 C C    . SER   B 1 50  ? -11.108 -13.85  4.59    1   43.435  ? 62  SER   B C    1 ? 2 
ATOM   2555 O O    . SER   B 1 50  ? -11.128 -14.759 3.791   1   44.624  ? 62  SER   B O    1 ? 2 
ATOM   2556 C CB   . SER   B 1 50  ? -10.335 -11.83  3.431   1   42.517  ? 62  SER   B CB   1 ? 2 
ATOM   2557 O OG   . SER   B 1 50  ? -10.901 -10.815 2.629   1   53.074  ? 62  SER   B OG   1 ? 2 
ATOM   2558 H H    . SER   B 1 50  ? -11.655 -10.81  5.359   1   36.691  ? 62  SER   B H    1 c 2 
ATOM   2559 H HA   . SER   B 1 50  ? -12.192 -12.587 3.41    1   42.328  ? 62  SER   B HA   1 c 2 
ATOM   2560 H HB2  . SER   B 1 50  ? -9.727  -11.446 4.092   1   43.964  ? 62  SER   B HB2  1 c 2 
ATOM   2561 H HB3  . SER   B 1 50  ? -9.861  -12.48  2.878   1   46.058  ? 62  SER   B HB3  1 c 2 
ATOM   2562 H HG   . SER   B 1 50  ? -9.914  -10.462 2.367   0   30      ? 62  SER   B HG   1 c 2 
ATOM   2563 N N    . ASN   B 1 51  ? -10.812 -14.078 5.882   1   44.227  ? 63  ASN   B N    1 ? 2 
ATOM   2564 C CA   . ASN   B 1 51  ? -10.435 -15.415 6.332   1   46.051  ? 63  ASN   B CA   1 ? 2 
ATOM   2565 C C    . ASN   B 1 51  ? -11.666 -16.341 6.402   1   47.827  ? 63  ASN   B C    1 ? 2 
ATOM   2566 O O    . ASN   B 1 51  ? -11.522 -17.527 6.691   1   49.689  ? 63  ASN   B O    1 ? 2 
ATOM   2567 C CB   . ASN   B 1 51  ? -9.654  -15.38  7.644   1   45.499  ? 63  ASN   B CB   1 ? 2 
ATOM   2568 C CG   . ASN   B 1 51  ? -10.501 -14.956 8.818   1   46.52   ? 63  ASN   B CG   1 ? 2 
ATOM   2569 O OD1  . ASN   B 1 51  ? -11.719 -14.765 8.663   1   42.368  ? 63  ASN   B OD1  1 ? 2 
ATOM   2570 N ND2  . ASN   B 1 51  ? -9.886  -14.77  9.986   1   47.068  ? 63  ASN   B ND2  1 ? 2 
ATOM   2571 H H    . ASN   B 1 51  ? -10.837 -13.393 6.487   1   42.704  ? 63  ASN   B H    1 c 2 
ATOM   2572 H HA   . ASN   B 1 51  ? -9.827  -15.791 5.655   1   46.92   ? 63  ASN   B HA   1 c 2 
ATOM   2573 H HB2  . ASN   B 1 51  ? -9.289  -16.27  7.821   1   47.715  ? 63  ASN   B HB2  1 c 2 
ATOM   2574 H HB3  . ASN   B 1 51  ? -8.904  -14.76  7.553   1   45.117  ? 63  ASN   B HB3  1 c 2 
ATOM   2575 H HD21 . ASN   B 1 51  ? -10.356 -14.536 10.701  1   46.794  ? 63  ASN   B HD21 1 c 2 
ATOM   2576 H HD22 . ASN   B 1 51  ? -9.007  -14.879 10.048  1   47.316  ? 63  ASN   B HD22 1 c 2 
ATOM   2577 N N    . GLY   B 1 52  ? -12.872 -15.779 6.169   1   47.57   ? 64  GLY   B N    1 ? 2 
ATOM   2578 C CA   . GLY   B 1 52  ? -14.136 -16.51  6.136   1   49.644  ? 64  GLY   B CA   1 ? 2 
ATOM   2579 C C    . GLY   B 1 52  ? -14.606 -17.015 7.512   1   55.15   ? 64  GLY   B C    1 ? 2 
ATOM   2580 O O    . GLY   B 1 52  ? -15.516 -17.842 7.612   1   52.435  ? 64  GLY   B O    1 ? 2 
ATOM   2581 H H    . GLY   B 1 52  ? -12.908 -14.875 6.043   1   45.807  ? 64  GLY   B H    1 c 2 
ATOM   2582 H HA2  . GLY   B 1 52  ? -14.829 -15.921 5.756   1   49.775  ? 64  GLY   B HA2  1 c 2 
ATOM   2583 H HA3  . GLY   B 1 52  ? -14.036 -17.28  5.528   1   52.145  ? 64  GLY   B HA3  1 c 2 
ATOM   2584 N N    . LYS   B 1 53  ? -13.994 -16.524 8.599   1   51.072  ? 65  LYS   B N    1 ? 2 
ATOM   2585 C CA   . LYS   B 1 53  ? -14.252 -17.111 9.899   1   51.296  ? 65  LYS   B CA   1 ? 2 
ATOM   2586 C C    . LYS   B 1 53  ? -15.382 -16.326 10.564  1   51.075  ? 65  LYS   B C    1 ? 2 
ATOM   2587 O O    . LYS   B 1 53  ? -15.893 -16.811 11.553  1   49.676  ? 65  LYS   B O    1 ? 2 
ATOM   2588 C CB   . LYS   B 1 53  ? -12.945 -17.321 10.681  1   49.413  ? 65  LYS   B CB   1 ? 2 
ATOM   2589 H H    . LYS   B 1 53  ? -13.426 -15.811 8.533   1   49.642  ? 65  LYS   B H    1 c 2 
ATOM   2590 H HA   . LYS   B 1 53  ? -14.6   -18.026 9.743   1   53.328  ? 65  LYS   B HA   1 c 2 
ATOM   2591 H HB2  . LYS   B 1 53  ? -12.225 -17.172 10.049  0   30      ? 65  LYS   B HB2  1 c 2 
ATOM   2592 H HB3  . LYS   B 1 53  ? -13.216 -17.576 11.569  0   30      ? 65  LYS   B HB3  1 c 2 
ATOM   2593 N N    . LYS   B 1 54  ? -15.805 -15.156 10.022  1   45.994  ? 66  LYS   B N    1 ? 2 
ATOM   2594 C CA   . LYS   B 1 54  ? -16.812 -14.307 10.654  1   45.411  ? 66  LYS   B CA   1 ? 2 
ATOM   2595 C C    . LYS   B 1 54  ? -17.657 -13.576 9.618   1   48.588  ? 66  LYS   B C    1 ? 2 
ATOM   2596 O O    . LYS   B 1 54  ? -17.109 -13.063 8.635   1   42.78   ? 66  LYS   B O    1 ? 2 
ATOM   2597 C CB   . LYS   B 1 54  ? -16.253 -13.19  11.54   1   42.871  ? 66  LYS   B CB   1 ? 2 
ATOM   2598 H H    . LYS   B 1 54  ? -15.445 -14.88  9.229   1   45.621  ? 66  LYS   B H    1 c 2 
ATOM   2599 H HA   . LYS   B 1 54  ? -17.406 -14.881 11.202  1   47.968  ? 66  LYS   B HA   1 c 2 
ATOM   2600 H HB2  . LYS   B 1 54  ? -15.261 -13.254 11.515  0   30      ? 66  LYS   B HB2  1 c 2 
ATOM   2601 H HB3  . LYS   B 1 54  ? -16.982 -12.703 11.951  0   30      ? 66  LYS   B HB3  1 c 2 
ATOM   2602 N N    . PHE   B 1 55  ? -18.967 -13.515 9.912   1   45.889  ? 67  PHE   B N    1 ? 2 
ATOM   2603 C CA   . PHE   B 1 55  ? -20     -12.931 9.063   1   46.402  ? 67  PHE   B CA   1 ? 2 
ATOM   2604 C C    . PHE   B 1 55  ? -21.005 -12.143 9.892   1   45.461  ? 67  PHE   B C    1 ? 2 
ATOM   2605 O O    . PHE   B 1 55  ? -21.456 -12.632 10.932  1   46.817  ? 67  PHE   B O    1 ? 2 
ATOM   2606 C CB   . PHE   B 1 55  ? -20.851 -14.004 8.396   1   47.267  ? 67  PHE   B CB   1 ? 2 
ATOM   2607 C CG   . PHE   B 1 55  ? -19.992 -15.005 7.664   1   55.574  ? 67  PHE   B CG   1 ? 2 
ATOM   2608 C CD1  . PHE   B 1 55  ? -19.354 -16.049 8.346   1   61.306  ? 67  PHE   B CD1  1 ? 2 
ATOM   2609 C CD2  . PHE   B 1 55  ? -19.876 -14.942 6.28    1   61.19   ? 67  PHE   B CD2  1 ? 2 
ATOM   2610 C CE1  . PHE   B 1 55  ? -18.578 -16.973 7.662   1   66.146  ? 67  PHE   B CE1  1 ? 2 
ATOM   2611 C CE2  . PHE   B 1 55  ? -19.13  -15.899 5.587   1   67.704  ? 67  PHE   B CE2  1 ? 2 
ATOM   2612 C CZ   . PHE   B 1 55  ? -18.467 -16.9   6.28    1   68.956  ? 67  PHE   B CZ   1 ? 2 
ATOM   2613 H H    . PHE   B 1 55  ? -19.234 -13.867 10.712  1   48.302  ? 67  PHE   B H    1 c 2 
ATOM   2614 H HA   . PHE   B 1 55  ? -19.588 -12.347 8.376   1   43.902  ? 67  PHE   B HA   1 c 2 
ATOM   2615 H HB2  . PHE   B 1 55  ? -21.377 -14.471 9.083   1   51.213  ? 67  PHE   B HB2  1 c 2 
ATOM   2616 H HB3  . PHE   B 1 55  ? -21.467 -13.576 7.762   1   49.451  ? 67  PHE   B HB3  1 c 2 
ATOM   2617 H HD1  . PHE   B 1 55  ? -19.422 -16.1   9.286   1   61.541  ? 67  PHE   B HD1  1 c 2 
ATOM   2618 H HD2  . PHE   B 1 55  ? -20.327 -14.263 5.804   1   60.096  ? 67  PHE   B HD2  1 c 2 
ATOM   2619 H HE1  . PHE   B 1 55  ? -18.142 -17.664 8.135   1   66.756  ? 67  PHE   B HE1  1 c 2 
ATOM   2620 H HE2  . PHE   B 1 55  ? -19.04  -15.836 4.649   1   66.205  ? 67  PHE   B HE2  1 c 2 
ATOM   2621 H HZ   . PHE   B 1 55  ? -17.948 -17.535 5.813   1   68.865  ? 67  PHE   B HZ   1 c 2 
ATOM   2622 N N    . ASP   B 1 56  ? -21.394 -10.967 9.413   1   40.336  ? 68  ASP   B N    1 ? 2 
ATOM   2623 C CA   . ASP   B 1 56  ? -22.308 -10.125 10.146  1   44.645  ? 68  ASP   B CA   1 ? 2 
ATOM   2624 C C    . ASP   B 1 56  ? -23.301 -9.507  9.178   1   46.219  ? 68  ASP   B C    1 ? 2 
ATOM   2625 O O    . ASP   B 1 56  ? -22.907 -9.087  8.107   1   49.336  ? 68  ASP   B O    1 ? 2 
ATOM   2626 C CB   . ASP   B 1 56  ? -21.513 -9.032  10.829  1   43.393  ? 68  ASP   B CB   1 ? 2 
ATOM   2627 C CG   . ASP   B 1 56  ? -22.321 -7.877  11.407  1   45.904  ? 68  ASP   B CG   1 ? 2 
ATOM   2628 O OD1  . ASP   B 1 56  ? -23.373 -8.147  12.026  1   46.839  ? 68  ASP   B OD1  1 ? 2 
ATOM   2629 O OD2  . ASP   B 1 56  ? -21.845 -6.724  11.263  1   42.964  ? 68  ASP   B OD2  1 ? 2 
ATOM   2630 H H    . ASP   B 1 56  ? -21.077 -10.679 8.605   1   40.85   ? 68  ASP   B H    1 c 2 
ATOM   2631 H HA   . ASP   B 1 56  ? -22.789 -10.667 10.811  1   46.249  ? 68  ASP   B HA   1 c 2 
ATOM   2632 H HB2  . ASP   B 1 56  ? -20.998 -9.435  11.559  1   43.827  ? 68  ASP   B HB2  1 c 2 
ATOM   2633 H HB3  . ASP   B 1 56  ? -20.877 -8.663  10.181  1   41.774  ? 68  ASP   B HB3  1 c 2 
ATOM   2634 N N    . SER   B 1 57  ? -24.52  -9.276  9.648   1   49.226  ? 69  SER   B N    1 ? 2 
ATOM   2635 C CA   . SER   B 1 57  ? -25.539 -8.702  8.795   1   54.906  ? 69  SER   B CA   1 ? 2 
ATOM   2636 C C    . SER   B 1 57  ? -26.498 -7.84   9.606   1   54.467  ? 69  SER   B C    1 ? 2 
ATOM   2637 O O    . SER   B 1 57  ? -26.897 -8.231  10.699  1   66.22   ? 69  SER   B O    1 ? 2 
ATOM   2638 C CB   . SER   B 1 57  ? -26.288 -9.769  8.058   1   61.159  ? 69  SER   B CB   1 ? 2 
ATOM   2639 O OG   . SER   B 1 57  ? -27.46  -9.236  7.453   1   69.716  ? 69  SER   B OG   1 ? 2 
ATOM   2640 H H    . SER   B 1 57  ? -24.724 -9.478  10.516  1   51.154  ? 69  SER   B H    1 c 2 
ATOM   2641 H HA   . SER   B 1 57  ? -25.092 -8.121  8.131   1   52.087  ? 69  SER   B HA   1 c 2 
ATOM   2642 H HB2  . SER   B 1 57  ? -25.712 -10.153 7.371   1   60.781  ? 69  SER   B HB2  1 c 2 
ATOM   2643 H HB3  . SER   B 1 57  ? -26.537 -10.479 8.68    1   63.566  ? 69  SER   B HB3  1 c 2 
ATOM   2644 H HG   . SER   B 1 57  ? -27.79  -9.862  6.951   0   30      ? 69  SER   B HG   1 c 2 
ATOM   2645 N N    . SER   B 1 58  ? -26.91  -6.707  9.013   1   49.392  ? 70  SER   B N    1 ? 2 
ATOM   2646 C CA   . SER   B 1 58  ? -27.935 -5.864  9.621   1   53.623  ? 70  SER   B CA   1 ? 2 
ATOM   2647 C C    . SER   B 1 58  ? -29.289 -6.574  9.562   1   61.999  ? 70  SER   B C    1 ? 2 
ATOM   2648 O O    . SER   B 1 58  ? -30.069 -6.485  10.513  1   68.144  ? 70  SER   B O    1 ? 2 
ATOM   2649 C CB   . SER   B 1 58  ? -28.059 -4.544  8.968   1   50.99   ? 70  SER   B CB   1 ? 2 
ATOM   2650 O OG   . SER   B 1 58  ? -28.51  -4.785  7.646   1   52.949  ? 70  SER   B OG   1 ? 2 
ATOM   2651 H H    . SER   B 1 58  ? -26.546 -6.454  8.214   1   49.609  ? 70  SER   B H    1 c 2 
ATOM   2652 H HA   . SER   B 1 58  ? -27.698 -5.722  10.573  1   53.53   ? 70  SER   B HA   1 c 2 
ATOM   2653 H HB2  . SER   B 1 58  ? -28.704 -3.991  9.448   1   52.924  ? 70  SER   B HB2  1 c 2 
ATOM   2654 H HB3  . SER   B 1 58  ? -27.194 -4.095  8.952   1   49.145  ? 70  SER   B HB3  1 c 2 
ATOM   2655 H HG   . SER   B 1 58  ? -28.659 -4.05   7.302   0   30      ? 70  SER   B HG   1 c 2 
ATOM   2656 N N    . HIS   B 1 59  ? -29.578 -7.209  8.411   1   60.465  ? 71  HIS   B N    1 ? 2 
ATOM   2657 C CA   . HIS   B 1 59  ? -30.879 -7.82   8.151   1   69.43   ? 71  HIS   B CA   1 ? 2 
ATOM   2658 C C    . HIS   B 1 59  ? -31.166 -8.904  9.19    1   72.865  ? 71  HIS   B C    1 ? 2 
ATOM   2659 O O    . HIS   B 1 59  ? -32.334 -9.143  9.508   1   77.04   ? 71  HIS   B O    1 ? 2 
ATOM   2660 C CB   . HIS   B 1 59  ? -30.948 -8.367  6.718   1   66.146  ? 71  HIS   B CB   1 ? 2 
ATOM   2661 H H    . HIS   B 1 59  ? -28.937 -7.257  7.761   1   60.168  ? 71  HIS   B H    1 c 2 
ATOM   2662 H HA   . HIS   B 1 59  ? -31.564 -7.113  8.248   1   68.999  ? 71  HIS   B HA   1 c 2 
ATOM   2663 H HB2  . HIS   B 1 59  ? -30.111 -8.357  6.379   0   30      ? 71  HIS   B HB2  1 c 2 
ATOM   2664 H HB3  . HIS   B 1 59  ? -31.968 -8.322  6.486   0   30      ? 71  HIS   B HB3  1 c 2 
ATOM   2665 N N    . ASP   B 1 60  ? -30.099 -9.522  9.74    1   72.708  ? 72  ASP   B N    1 ? 2 
ATOM   2666 C CA   . ASP   B 1 60  ? -30.183 -10.458 10.859  1   78.963  ? 72  ASP   B CA   1 ? 2 
ATOM   2667 C C    . ASP   B 1 60  ? -30.92  -9.82   12.046  1   82.757  ? 72  ASP   B C    1 ? 2 
ATOM   2668 O O    . ASP   B 1 60  ? -31.691 -10.503 12.707  1   96.993  ? 72  ASP   B O    1 ? 2 
ATOM   2669 C CB   . ASP   B 1 60  ? -28.812 -11.014 11.237  1   72.839  ? 72  ASP   B CB   1 ? 2 
ATOM   2670 H H    . ASP   B 1 60  ? -29.275 -9.361  9.379   1   70.343  ? 72  ASP   B H    1 c 2 
ATOM   2671 H HA   . ASP   B 1 60  ? -30.714 -11.23  10.559  1   80.414  ? 72  ASP   B HA   1 c 2 
ATOM   2672 H HB2  . ASP   B 1 60  ? -28.135 -10.442 10.808  0   30      ? 72  ASP   B HB2  1 c 2 
ATOM   2673 H HB3  . ASP   B 1 60  ? -28.969 -11.837 11.703  0   30      ? 72  ASP   B HB3  1 c 2 
ATOM   2674 N N    . ARG   B 1 61  ? -30.687 -8.52   12.306  1   83.425  ? 73  ARG   B N    1 ? 2 
ATOM   2675 C CA   . ARG   B 1 61  ? -31.359 -7.767  13.368  1   81.443  ? 73  ARG   B CA   1 ? 2 
ATOM   2676 C C    . ARG   B 1 61  ? -32.686 -7.161  12.891  1   78.658  ? 73  ARG   B C    1 ? 2 
ATOM   2677 O O    . ARG   B 1 61  ? -33.405 -6.575  13.693  1   78.47   ? 73  ARG   B O    1 ? 2 
ATOM   2678 C CB   . ARG   B 1 61  ? -30.437 -6.64   13.873  1   77.207  ? 73  ARG   B CB   1 ? 2 
ATOM   2679 H H    . ARG   B 1 61  ? -30.068 -8.083  11.796  1   78.774  ? 73  ARG   B H    1 c 2 
ATOM   2680 H HA   . ARG   B 1 61  ? -31.552 -8.384  14.117  1   83.398  ? 73  ARG   B HA   1 c 2 
ATOM   2681 H HB2  . ARG   B 1 61  ? -29.525 -6.965  13.778  0   30      ? 73  ARG   B HB2  1 c 2 
ATOM   2682 H HB3  . ARG   B 1 61  ? -31.015 -5.978  14.29   0   30      ? 73  ARG   B HB3  1 c 2 
ATOM   2683 N N    . ASN   B 1 62  ? -32.969 -7.246  11.576  1   77.378  ? 74  ASN   B N    1 ? 2 
ATOM   2684 C CA   . ASN   B 1 62  ? -34.223 -6.838  10.944  1   78.695  ? 74  ASN   B CA   1 ? 2 
ATOM   2685 C C    . ASN   B 1 62  ? -34.352 -5.309  10.825  1   78.114  ? 74  ASN   B C    1 ? 2 
ATOM   2686 O O    . ASN   B 1 62  ? -35.293 -4.848  10.175  1   73.964  ? 74  ASN   B O    1 ? 2 
ATOM   2687 C CB   . ASN   B 1 62  ? -35.44  -7.551  11.56   1   82.566  ? 74  ASN   B CB   1 ? 2 
ATOM   2688 H H    . ASN   B 1 62  ? -32.316 -7.573  11.028  1   75.263  ? 74  ASN   B H    1 c 2 
ATOM   2689 H HA   . ASN   B 1 62  ? -34.173 -7.166  10.018  1   78.402  ? 74  ASN   B HA   1 c 2 
ATOM   2690 H HB2  . ASN   B 1 62  ? -35.162 -8.112  12.265  0   30      ? 74  ASN   B HB2  1 c 2 
ATOM   2691 H HB3  . ASN   B 1 62  ? -36.267 -7.086  11.198  0   30      ? 74  ASN   B HB3  1 c 2 
ATOM   2692 N N    . GLU   B 1 63  ? -33.379 -4.51   11.336  1   75.337  ? 75  GLU   B N    1 ? 2 
ATOM   2693 C CA   . GLU   B 1 63  ? -33.576 -3.075  11.524  1   71.244  ? 75  GLU   B CA   1 ? 2 
ATOM   2694 C C    . GLU   B 1 63  ? -32.383 -2.351  10.919  1   65.447  ? 75  GLU   B C    1 ? 2 
ATOM   2695 O O    . GLU   B 1 63  ? -31.248 -2.835  10.991  1   57.774  ? 75  GLU   B O    1 ? 2 
ATOM   2696 C CB   . GLU   B 1 63  ? -33.754 -2.627  12.98   1   73.738  ? 75  GLU   B CB   1 ? 2 
ATOM   2697 H H    . GLU   B 1 63  ? -32.569 -4.871  11.555  1   72.267  ? 75  GLU   B H    1 c 2 
ATOM   2698 H HA   . GLU   B 1 63  ? -34.388 -2.812  11.026  1   73.833  ? 75  GLU   B HA   1 c 2 
ATOM   2699 H HB2  . GLU   B 1 63  ? -32.686 -2.497  13.301  0   30      ? 75  GLU   B HB2  1 c 2 
ATOM   2700 H HB3  . GLU   B 1 63  ? -34.541 -2.523  13.223  0   30      ? 75  GLU   B HB3  1 c 2 
ATOM   2701 N N    . PRO   B 1 64  ? -32.592 -1.201  10.239  1   64.921  ? 76  PRO   B N    1 ? 2 
ATOM   2702 C CA   . PRO   B 1 64  ? -31.473 -0.547  9.553   1   57.789  ? 76  PRO   B CA   1 ? 2 
ATOM   2703 C C    . PRO   B 1 64  ? -30.331 -0.264  10.506  1   56.438  ? 76  PRO   B C    1 ? 2 
ATOM   2704 O O    . PRO   B 1 64  ? -30.549 -0.128  11.708  1   58.328  ? 76  PRO   B O    1 ? 2 
ATOM   2705 C CB   . PRO   B 1 64  ? -32.07  0.748   9.017   1   58.777  ? 76  PRO   B CB   1 ? 2 
ATOM   2706 C CG   . PRO   B 1 64  ? -33.573 0.489   9.014   1   64.164  ? 76  PRO   B CG   1 ? 2 
ATOM   2707 C CD   . PRO   B 1 64  ? -33.844 -0.442  10.159  1   67.745  ? 76  PRO   B CD   1 ? 2 
ATOM   2708 H HA   . PRO   B 1 64  ? -31.162 -1.11   8.814   1   57.6    ? 76  PRO   B HA   1 c 2 
ATOM   2709 H HB2  . PRO   B 1 64  ? -31.848 1.503   9.596   1   58.472  ? 76  PRO   B HB2  1 c 2 
ATOM   2710 H HB3  . PRO   B 1 64  ? -31.746 0.934   8.114   1   57.576  ? 76  PRO   B HB3  1 c 2 
ATOM   2711 H HG2  . PRO   B 1 64  ? -34.066 1.325   9.132   1   65.721  ? 76  PRO   B HG2  1 c 2 
ATOM   2712 H HG3  . PRO   B 1 64  ? -33.85  0.08    8.17    1   64.978  ? 76  PRO   B HG3  1 c 2 
ATOM   2713 H HD2  . PRO   B 1 64  ? -34.012 0.047   10.988  1   68.471  ? 76  PRO   B HD2  1 c 2 
ATOM   2714 H HD3  . PRO   B 1 64  ? -34.601 -1.028  9.966   1   70.138  ? 76  PRO   B HD3  1 c 2 
ATOM   2715 N N    . PHE   B 1 65  ? -29.118 -0.172  9.954   1   53.583  ? 77  PHE   B N    1 ? 2 
ATOM   2716 C CA   . PHE   B 1 65  ? -27.962 0.328   10.681  1   51.605  ? 77  PHE   B CA   1 ? 2 
ATOM   2717 C C    . PHE   B 1 65  ? -27.874 1.814   10.34   1   46.679  ? 77  PHE   B C    1 ? 2 
ATOM   2718 O O    . PHE   B 1 65  ? -28.044 2.169   9.17    1   47.174  ? 77  PHE   B O    1 ? 2 
ATOM   2719 C CB   . PHE   B 1 65  ? -26.75  -0.52   10.295  1   49.604  ? 77  PHE   B CB   1 ? 2 
ATOM   2720 C CG   . PHE   B 1 65  ? -25.443 -0.04   10.882  1   45.964  ? 77  PHE   B CG   1 ? 2 
ATOM   2721 C CD1  . PHE   B 1 65  ? -24.675 0.895   10.212  1   46.04   ? 77  PHE   B CD1  1 ? 2 
ATOM   2722 C CD2  . PHE   B 1 65  ? -24.966 -0.542  12.09   1   49.817  ? 77  PHE   B CD2  1 ? 2 
ATOM   2723 C CE1  . PHE   B 1 65  ? -23.49  1.338   10.766  1   40.214  ? 77  PHE   B CE1  1 ? 2 
ATOM   2724 C CE2  . PHE   B 1 65  ? -23.75  -0.127  12.618  1   49.098  ? 77  PHE   B CE2  1 ? 2 
ATOM   2725 C CZ   . PHE   B 1 65  ? -23.029 0.836   11.958  1   44.362  ? 77  PHE   B CZ   1 ? 2 
ATOM   2726 H H    . PHE   B 1 65  ? -29.007 -0.43   9.085   1   52.839  ? 77  PHE   B H    1 c 2 
ATOM   2727 H HA   . PHE   B 1 65  ? -28.125 0.227   11.656  1   51.969  ? 77  PHE   B HA   1 c 2 
ATOM   2728 H HB2  . PHE   B 1 65  ? -26.91  -1.444  10.59   1   50.037  ? 77  PHE   B HB2  1 c 2 
ATOM   2729 H HB3  . PHE   B 1 65  ? -26.674 -0.526  9.315   1   48.41   ? 77  PHE   B HB3  1 c 2 
ATOM   2730 H HD1  . PHE   B 1 65  ? -24.984 1.262   9.399   1   44.613  ? 77  PHE   B HD1  1 c 2 
ATOM   2731 H HD2  . PHE   B 1 65  ? -25.47  -1.196  12.547  1   50.728  ? 77  PHE   B HD2  1 c 2 
ATOM   2732 H HE1  . PHE   B 1 65  ? -22.977 1.982   10.304  1   40.985  ? 77  PHE   B HE1  1 c 2 
ATOM   2733 H HE2  . PHE   B 1 65  ? -23.45  -0.463  13.448  1   48.649  ? 77  PHE   B HE2  1 c 2 
ATOM   2734 H HZ   . PHE   B 1 65  ? -22.205 1.135   12.309  1   43.11   ? 77  PHE   B HZ   1 c 2 
ATOM   2735 N N    . VAL   B 1 66  ? -27.756 2.656   11.386  1   48.304  ? 78  VAL   B N    1 ? 2 
ATOM   2736 C CA   . VAL   B 1 66  ? -27.811 4.104   11.197  1   48.251  ? 78  VAL   B CA   1 ? 2 
ATOM   2737 C C    . VAL   B 1 66  ? -26.531 4.686   11.77   1   46.001  ? 78  VAL   B C    1 ? 2 
ATOM   2738 O O    . VAL   B 1 66  ? -26.029 4.234   12.801  1   48.162  ? 78  VAL   B O    1 ? 2 
ATOM   2739 C CB   . VAL   B 1 66  ? -29.031 4.826   11.791  1   53.965  ? 78  VAL   B CB   1 ? 2 
ATOM   2740 C CG1  . VAL   B 1 66  ? -30.278 4.592   10.948  1   55.493  ? 78  VAL   B CG1  1 ? 2 
ATOM   2741 C CG2  . VAL   B 1 66  ? -29.216 4.454   13.252  1   52.514  ? 78  VAL   B CG2  1 ? 2 
ATOM   2742 H H    . VAL   B 1 66  ? -27.63  2.322   12.227  1   48.511  ? 78  VAL   B H    1 c 2 
ATOM   2743 H HA   . VAL   B 1 66  ? -27.809 4.273   10.239  1   47.954  ? 78  VAL   B HA   1 c 2 
ATOM   2744 H HB   . VAL   B 1 66  ? -28.835 5.792   11.758  1   52.582  ? 78  VAL   B HB   1 c 2 
ATOM   2745 H HG11 . VAL   B 1 66  ? -30.508 3.648   10.963  1   56.179  ? 78  VAL   B HG11 1 c 2 
ATOM   2746 H HG12 . VAL   B 1 66  ? -30.105 4.868   10.032  1   54.693  ? 78  VAL   B HG12 1 c 2 
ATOM   2747 H HG13 . VAL   B 1 66  ? -31.016 5.111   11.309  1   58.117  ? 78  VAL   B HG13 1 c 2 
ATOM   2748 H HG21 . VAL   B 1 66  ? -30.011 4.893   13.598  1   55.94   ? 78  VAL   B HG21 1 c 2 
ATOM   2749 H HG22 . VAL   B 1 66  ? -28.442 4.743   13.763  1   52.318  ? 78  VAL   B HG22 1 c 2 
ATOM   2750 H HG23 . VAL   B 1 66  ? -29.318 3.492   13.334  1   53.625  ? 78  VAL   B HG23 1 c 2 
ATOM   2751 N N    . PHE   B 1 67  ? -25.944 5.627   11.016  1   46.019  ? 79  PHE   B N    1 ? 2 
ATOM   2752 C CA   . PHE   B 1 67  ? -24.743 6.315   11.467  1   41.182  ? 79  PHE   B CA   1 ? 2 
ATOM   2753 C C    . PHE   B 1 67  ? -24.683 7.664   10.744  1   42.842  ? 79  PHE   B C    1 ? 2 
ATOM   2754 O O    . PHE   B 1 67  ? -25.442 7.917   9.806   1   41.633  ? 79  PHE   B O    1 ? 2 
ATOM   2755 C CB   . PHE   B 1 67  ? -23.51  5.443   11.224  1   39.826  ? 79  PHE   B CB   1 ? 2 
ATOM   2756 C CG   . PHE   B 1 67  ? -23.087 5.372   9.763   1   36.918  ? 79  PHE   B CG   1 ? 2 
ATOM   2757 C CD1  . PHE   B 1 67  ? -23.745 4.546   8.87    1   37.709  ? 79  PHE   B CD1  1 ? 2 
ATOM   2758 C CD2  . PHE   B 1 67  ? -22.01  6.124   9.281   1   32.2    ? 79  PHE   B CD2  1 ? 2 
ATOM   2759 C CE1  . PHE   B 1 67  ? -23.369 4.5     7.541   1   33.645  ? 79  PHE   B CE1  1 ? 2 
ATOM   2760 C CE2  . PHE   B 1 67  ? -21.649 6.077   7.925   1   30.031  ? 79  PHE   B CE2  1 ? 2 
ATOM   2761 C CZ   . PHE   B 1 67  ? -22.307 5.254   7.076   1   32.963  ? 79  PHE   B CZ   1 ? 2 
ATOM   2762 H H    . PHE   B 1 67  ? -26.302 5.846   10.204  1   45.053  ? 79  PHE   B H    1 c 2 
ATOM   2763 H HA   . PHE   B 1 67  ? -24.823 6.484   12.444  1   43.471  ? 79  PHE   B HA   1 c 2 
ATOM   2764 H HB2  . PHE   B 1 67  ? -22.764 5.801   11.754  1   38.798  ? 79  PHE   B HB2  1 c 2 
ATOM   2765 H HB3  . PHE   B 1 67  ? -23.7   4.534   11.545  1   39.473  ? 79  PHE   B HB3  1 c 2 
ATOM   2766 H HD1  . PHE   B 1 67  ? -24.474 4.025   9.168   1   37.943  ? 79  PHE   B HD1  1 c 2 
ATOM   2767 H HD2  . PHE   B 1 67  ? -21.549 6.703   9.867   1   32.784  ? 79  PHE   B HD2  1 c 2 
ATOM   2768 H HE1  . PHE   B 1 67  ? -23.832 3.931   6.947   1   34.873  ? 79  PHE   B HE1  1 c 2 
ATOM   2769 H HE2  . PHE   B 1 67  ? -20.919 6.589   7.615   1   30.351  ? 79  PHE   B HE2  1 c 2 
ATOM   2770 H HZ   . PHE   B 1 67  ? -22.056 5.21    6.168   1   31.751  ? 79  PHE   B HZ   1 c 2 
ATOM   2771 N N    . SER   B 1 68  ? -23.855 8.564   11.287  1   43.333  ? 80  SER   B N    1 ? 2 
ATOM   2772 C CA   . SER   B 1 68  ? -23.704 9.903   10.737  1   43.508  ? 80  SER   B CA   1 ? 2 
ATOM   2773 C C    . SER   B 1 68  ? -22.45  9.852   9.873   1   37.301  ? 80  SER   B C    1 ? 2 
ATOM   2774 O O    . SER   B 1 68  ? -21.389 9.44    10.336  1   37.19   ? 80  SER   B O    1 ? 2 
ATOM   2775 C CB   . SER   B 1 68  ? -23.632 10.992  11.778  1   45.924  ? 80  SER   B CB   1 ? 2 
ATOM   2776 O OG   . SER   B 1 68  ? -24.856 11.065  12.496  1   53.01   ? 80  SER   B OG   1 ? 2 
ATOM   2777 H H    . SER   B 1 68  ? -23.367 8.334   12.024  1   42.801  ? 80  SER   B H    1 c 2 
ATOM   2778 H HA   . SER   B 1 68  ? -24.48  10.086  10.152  1   43.767  ? 80  SER   B HA   1 c 2 
ATOM   2779 H HB2  . SER   B 1 68  ? -22.9   10.805  12.396  1   46.154  ? 80  SER   B HB2  1 c 2 
ATOM   2780 H HB3  . SER   B 1 68  ? -23.457 11.848  11.342  1   47.156  ? 80  SER   B HB3  1 c 2 
ATOM   2781 H HG   . SER   B 1 68  ? -24.678 11.677  13.13   0   30      ? 80  SER   B HG   1 c 2 
ATOM   2782 N N    . LEU   B 1 69  ? -22.643 10.18   8.6     1   35.715  ? 81  LEU   B N    1 ? 2 
ATOM   2783 C CA   . LEU   B 1 69  ? -21.63  9.992   7.598   1   34.378  ? 81  LEU   B CA   1 ? 2 
ATOM   2784 C C    . LEU   B 1 69  ? -20.464 10.93   7.906   1   32.336  ? 81  LEU   B C    1 ? 2 
ATOM   2785 O O    . LEU   B 1 69  ? -20.667 12.098  8.222   1   31.961  ? 81  LEU   B O    1 ? 2 
ATOM   2786 C CB   . LEU   B 1 69  ? -22.168 10.283  6.213   1   38.09   ? 81  LEU   B CB   1 ? 2 
ATOM   2787 C CG   . LEU   B 1 69  ? -21.166 9.982   5.104   1   37.284  ? 81  LEU   B CG   1 ? 2 
ATOM   2788 C CD1  . LEU   B 1 69  ? -20.985 8.45    4.965   1   33.58   ? 81  LEU   B CD1  1 ? 2 
ATOM   2789 C CD2  . LEU   B 1 69  ? -21.637 10.633  3.811   1   40.024  ? 81  LEU   B CD2  1 ? 2 
ATOM   2790 H H    . LEU   B 1 69  ? -23.443 10.543  8.349   1   37.59   ? 81  LEU   B H    1 c 2 
ATOM   2791 H HA   . LEU   B 1 69  ? -21.317 9.053   7.642   1   33.216  ? 81  LEU   B HA   1 c 2 
ATOM   2792 H HB2  . LEU   B 1 69  ? -22.974 9.735   6.069   1   37.984  ? 81  LEU   B HB2  1 c 2 
ATOM   2793 H HB3  . LEU   B 1 69  ? -22.416 11.235  6.168   1   38.821  ? 81  LEU   B HB3  1 c 2 
ATOM   2794 H HG   . LEU   B 1 69  ? -20.292 10.38   5.35    1   36.491  ? 81  LEU   B HG   1 c 2 
ATOM   2795 H HD11 . LEU   B 1 69  ? -20.559 8.097   5.765   1   33.353  ? 81  LEU   B HD11 1 c 2 
ATOM   2796 H HD12 . LEU   B 1 69  ? -20.427 8.258   4.193   1   33.625  ? 81  LEU   B HD12 1 c 2 
ATOM   2797 H HD13 . LEU   B 1 69  ? -21.853 8.029   4.848   1   34.815  ? 81  LEU   B HD13 1 c 2 
ATOM   2798 H HD21 . LEU   B 1 69  ? -21.792 11.58   3.959   1   40.871  ? 81  LEU   B HD21 1 c 2 
ATOM   2799 H HD22 . LEU   B 1 69  ? -22.46  10.211  3.518   1   40.31   ? 81  LEU   B HD22 1 c 2 
ATOM   2800 H HD23 . LEU   B 1 69  ? -20.956 10.522  3.125   1   39.094  ? 81  LEU   B HD23 1 c 2 
ATOM   2801 N N    . GLY   B 1 70  ? -19.258 10.355  7.834   1   31.96   ? 82  GLY   B N    1 ? 2 
ATOM   2802 C CA   . GLY   B 1 70  ? -18.017 11.104  7.844   1   34.632  ? 82  GLY   B CA   1 ? 2 
ATOM   2803 C C    . GLY   B 1 70  ? -17.595 11.529  9.244   1   40.273  ? 82  GLY   B C    1 ? 2 
ATOM   2804 O O    . GLY   B 1 70  ? -16.773 12.422  9.363   1   52.189  ? 82  GLY   B O    1 ? 2 
ATOM   2805 H H    . GLY   B 1 70  ? -19.211 9.445   7.776   1   31.177  ? 82  GLY   B H    1 c 2 
ATOM   2806 H HA2  . GLY   B 1 70  ? -17.307 10.552  7.444   1   33.788  ? 82  GLY   B HA2  1 c 2 
ATOM   2807 H HA3  . GLY   B 1 70  ? -18.125 11.905  7.281   1   35.878  ? 82  GLY   B HA3  1 c 2 
ATOM   2808 N N    . LYS   B 1 71  ? -18.211 10.949  10.289  1   38.012  ? 83  LYS   B N    1 ? 2 
ATOM   2809 C CA   . LYS   B 1 71  ? -17.934 11.322  11.665  1   43.532  ? 83  LYS   B CA   1 ? 2 
ATOM   2810 C C    . LYS   B 1 71  ? -17.016 10.271  12.292  1   45.976  ? 83  LYS   B C    1 ? 2 
ATOM   2811 O O    . LYS   B 1 71  ? -16.696 10.357  13.462  1   54.406  ? 83  LYS   B O    1 ? 2 
ATOM   2812 C CB   . LYS   B 1 71  ? -19.2   11.645  12.458  1   43.781  ? 83  LYS   B CB   1 ? 2 
ATOM   2813 H H    . LYS   B 1 71  ? -18.821 10.286  10.134  1   38.966  ? 83  LYS   B H    1 c 2 
ATOM   2814 H HA   . LYS   B 1 71  ? -17.421 12.169  11.642  1   43.815  ? 83  LYS   B HA   1 c 2 
ATOM   2815 H HB2  . LYS   B 1 71  ? -18.96  11.896  13.354  0   30      ? 83  LYS   B HB2  1 c 2 
ATOM   2816 H HB3  . LYS   B 1 71  ? -19.974 11.377  11.885  0   30      ? 83  LYS   B HB3  1 c 2 
ATOM   2817 N N    . GLY   B 1 72  ? -16.564 9.277   11.522  1   49.05   ? 84  GLY   B N    1 ? 2 
ATOM   2818 C CA   . GLY   B 1 72  ? -15.703 8.243   12.087  1   45.708  ? 84  GLY   B CA   1 ? 2 
ATOM   2819 C C    . GLY   B 1 72  ? -16.43  7.316   13.081  1   42.243  ? 84  GLY   B C    1 ? 2 
ATOM   2820 O O    . GLY   B 1 72  ? -15.722 6.57    13.747  1   46.746  ? 84  GLY   B O    1 ? 2 
ATOM   2821 H H    . GLY   B 1 72  ? -16.787 9.236   10.637  1   46.319  ? 84  GLY   B H    1 c 2 
ATOM   2822 H HA2  . GLY   B 1 72  ? -15.337 7.7     11.349  1   44.173  ? 84  GLY   B HA2  1 c 2 
ATOM   2823 H HA3  . GLY   B 1 72  ? -14.943 8.675   12.543  1   46.034  ? 84  GLY   B HA3  1 c 2 
ATOM   2824 N N    . GLN   B 1 73  ? -17.783 7.23    13.043  1   37.4    ? 85  GLN   B N    1 ? 2 
ATOM   2825 C CA   . GLN   B 1 73  ? -18.564 6.262   13.807  1   33.624  ? 85  GLN   B CA   1 ? 2 
ATOM   2826 C C    . GLN   B 1 73  ? -18.469 4.86    13.173  1   30.312  ? 85  GLN   B C    1 ? 2 
ATOM   2827 O O    . GLN   B 1 73  ? -18.848 3.852   13.767  1   29.937  ? 85  GLN   B O    1 ? 2 
ATOM   2828 C CB   . GLN   B 1 73  ? -20.044 6.597   13.765  1   35.972  ? 85  GLN   B CB   1 ? 2 
ATOM   2829 C CG   . GLN   B 1 73  ? -20.384 7.925   14.434  1   42.198  ? 85  GLN   B CG   1 ? 2 
ATOM   2830 C CD   . GLN   B 1 73  ? -21.848 8.285   14.33   1   43.455  ? 85  GLN   B CD   1 ? 2 
ATOM   2831 O OE1  . GLN   B 1 73  ? -22.652 7.594   13.697  1   46.186  ? 85  GLN   B OE1  1 ? 2 
ATOM   2832 N NE2  . GLN   B 1 73  ? -22.215 9.401   14.935  1   52.989  ? 85  GLN   B NE2  1 ? 2 
ATOM   2833 H H    . GLN   B 1 73  ? -18.236 7.807   12.498  1   37.753  ? 85  GLN   B H    1 c 2 
ATOM   2834 H HA   . GLN   B 1 73  ? -18.231 6.235   14.74   1   35.16   ? 85  GLN   B HA   1 c 2 
ATOM   2835 H HB2  . GLN   B 1 73  ? -20.333 6.628   12.829  1   35.922  ? 85  GLN   B HB2  1 c 2 
ATOM   2836 H HB3  . GLN   B 1 73  ? -20.544 5.88    14.209  1   37.201  ? 85  GLN   B HB3  1 c 2 
ATOM   2837 H HG2  . GLN   B 1 73  ? -20.137 7.881   15.382  1   42.068  ? 85  GLN   B HG2  1 c 2 
ATOM   2838 H HG3  . GLN   B 1 73  ? -19.854 8.64    14.021  1   40.674  ? 85  GLN   B HG3  1 c 2 
ATOM   2839 H HE21 . GLN   B 1 73  ? -23.055 9.68    14.879  1   51.841  ? 85  GLN   B HE21 1 c 2 
ATOM   2840 H HE22 . GLN   B 1 73  ? -21.621 9.872   15.397  1   50.886  ? 85  GLN   B HE22 1 c 2 
ATOM   2841 N N    . VAL   B 1 74  ? -17.96  4.806   11.938  1   26.346  ? 86  VAL   B N    1 ? 2 
ATOM   2842 C CA   . VAL   B 1 74  ? -17.627 3.575   11.244  1   25.147  ? 86  VAL   B CA   1 ? 2 
ATOM   2843 C C    . VAL   B 1 74  ? -16.185 3.656   10.739  1   24.849  ? 86  VAL   B C    1 ? 2 
ATOM   2844 O O    . VAL   B 1 74  ? -15.565 4.722   10.799  1   23.245  ? 86  VAL   B O    1 ? 2 
ATOM   2845 C CB   . VAL   B 1 74  ? -18.63  3.359   10.098  1   25.134  ? 86  VAL   B CB   1 ? 2 
ATOM   2846 C CG1  . VAL   B 1 74  ? -20.012 3.074   10.644  1   26.768  ? 86  VAL   B CG1  1 ? 2 
ATOM   2847 C CG2  . VAL   B 1 74  ? -18.663 4.579   9.171   1   27.024  ? 86  VAL   B CG2  1 ? 2 
ATOM   2848 H H    . VAL   B 1 74  ? -17.815 5.594   11.498  1   27.012  ? 86  VAL   B H    1 c 2 
ATOM   2849 H HA   . VAL   B 1 74  ? -17.7   2.83    11.87   1   25.632  ? 86  VAL   B HA   1 c 2 
ATOM   2850 H HB   . VAL   B 1 74  ? -18.327 2.576   9.58    1   24.75   ? 86  VAL   B HB   1 c 2 
ATOM   2851 H HG11 . VAL   B 1 74  ? -20.321 3.835   11.162  1   27.663  ? 86  VAL   B HG11 1 c 2 
ATOM   2852 H HG12 . VAL   B 1 74  ? -19.98  2.286   11.213  1   26.971  ? 86  VAL   B HG12 1 c 2 
ATOM   2853 H HG13 . VAL   B 1 74  ? -20.625 2.915   9.907   1   26.919  ? 86  VAL   B HG13 1 c 2 
ATOM   2854 H HG21 . VAL   B 1 74  ? -19.212 4.379   8.395   1   26.503  ? 86  VAL   B HG21 1 c 2 
ATOM   2855 H HG22 . VAL   B 1 74  ? -17.761 4.794   8.879   1   25.758  ? 86  VAL   B HG22 1 c 2 
ATOM   2856 H HG23 . VAL   B 1 74  ? -19.04  5.339   9.644   1   27.327  ? 86  VAL   B HG23 1 c 2 
ATOM   2857 N N    . ILE   B 1 75  ? -15.67  2.534   10.228  1   22.62   ? 87  ILE   B N    1 ? 2 
ATOM   2858 C CA   . ILE   B 1 75  ? -14.37  2.479   9.578   1   22.215  ? 87  ILE   B CA   1 ? 2 
ATOM   2859 C C    . ILE   B 1 75  ? -14.323 3.469   8.405   1   20.239  ? 87  ILE   B C    1 ? 2 
ATOM   2860 O O    . ILE   B 1 75  ? -15.355 3.741   7.791   1   21.398  ? 87  ILE   B O    1 ? 2 
ATOM   2861 C CB   . ILE   B 1 75  ? -13.986 1.051   9.196   1   20.999  ? 87  ILE   B CB   1 ? 2 
ATOM   2862 C CG1  . ILE   B 1 75  ? -14.995 0.423   8.219   1   24.266  ? 87  ILE   B CG1  1 ? 2 
ATOM   2863 C CG2  . ILE   B 1 75  ? -13.718 0.167   10.415  1   23.486  ? 87  ILE   B CG2  1 ? 2 
ATOM   2864 C CD1  . ILE   B 1 75  ? -14.574 -0.915  7.65    1   22.968  ? 87  ILE   B CD1  1 ? 2 
ATOM   2865 H H    . ILE   B 1 75  ? -16.154 1.762   10.299  1   23.125  ? 87  ILE   B H    1 c 2 
ATOM   2866 H HA   . ILE   B 1 75  ? -13.713 2.783   10.235  1   21.998  ? 87  ILE   B HA   1 c 2 
ATOM   2867 H HB   . ILE   B 1 75  ? -13.14  1.117   8.71    1   21.843  ? 87  ILE   B HB   1 c 2 
ATOM   2868 H HG12 . ILE   B 1 75  ? -15.85  0.308   8.682   1   23.619  ? 87  ILE   B HG12 1 c 2 
ATOM   2869 H HG13 . ILE   B 1 75  ? -15.141 1.043   7.477   1   23.078  ? 87  ILE   B HG13 1 c 2 
ATOM   2870 H HG21 . ILE   B 1 75  ? -13.366 -0.692  10.126  1   22.721  ? 87  ILE   B HG21 1 c 2 
ATOM   2871 H HG22 . ILE   B 1 75  ? -14.546 0.027   10.905  1   23.359  ? 87  ILE   B HG22 1 c 2 
ATOM   2872 H HG23 . ILE   B 1 75  ? -13.07  0.601   10.995  1   23.195  ? 87  ILE   B HG23 1 c 2 
ATOM   2873 H HD11 . ILE   B 1 75  ? -13.696 -0.831  7.233   1   23.055  ? 87  ILE   B HD11 1 c 2 
ATOM   2874 H HD12 . ILE   B 1 75  ? -15.224 -1.2    6.981   1   23.484  ? 87  ILE   B HD12 1 c 2 
ATOM   2875 H HD13 . ILE   B 1 75  ? -14.531 -1.581  8.362   1   23.552  ? 87  ILE   B HD13 1 c 2 
ATOM   2876 N N    . LYS   B 1 76  ? -13.097 3.897   8.063   1   24.176  ? 88  LYS   B N    1 ? 2 
ATOM   2877 C CA   . LYS   B 1 76  ? -12.867 4.929   7.055   1   22.647  ? 88  LYS   B CA   1 ? 2 
ATOM   2878 C C    . LYS   B 1 76  ? -13.479 4.444   5.754   1   21.837  ? 88  LYS   B C    1 ? 2 
ATOM   2879 O O    . LYS   B 1 76  ? -14.037 5.235   5.005   1   23.031  ? 88  LYS   B O    1 ? 2 
ATOM   2880 C CB   . LYS   B 1 76  ? -11.374 5.312   6.918   1   26.939  ? 88  LYS   B CB   1 ? 2 
ATOM   2881 H H    . LYS   B 1 76  ? -12.373 3.524   8.477   1   22.733  ? 88  LYS   B H    1 c 2 
ATOM   2882 H HA   . LYS   B 1 76  ? -13.358 5.741   7.338   1   24.033  ? 88  LYS   B HA   1 c 2 
ATOM   2883 H HB2  . LYS   B 1 76  ? -10.854 4.528   7.183   0   30      ? 88  LYS   B HB2  1 c 2 
ATOM   2884 H HB3  . LYS   B 1 76  ? -11.348 6.244   6.667   0   30      ? 88  LYS   B HB3  1 c 2 
ATOM   2885 N N    . ALA   B 1 77  ? -13.288 3.172   5.412   1   23.795  ? 89  ALA   B N    1 ? 2 
ATOM   2886 C CA   . ALA   B 1 77  ? -13.81  2.625   4.151   1   22.528  ? 89  ALA   B CA   1 ? 2 
ATOM   2887 C C    . ALA   B 1 77  ? -15.291 2.894   3.987   1   24.287  ? 89  ALA   B C    1 ? 2 
ATOM   2888 O O    . ALA   B 1 77  ? -15.775 3.108   2.885   1   25.071  ? 89  ALA   B O    1 ? 2 
ATOM   2889 C CB   . ALA   B 1 77  ? -13.552 1.183   4.01    1   23.717  ? 89  ALA   B CB   1 ? 2 
ATOM   2890 H H    . ALA   B 1 77  ? -12.815 2.621   5.967   1   22.627  ? 89  ALA   B H    1 c 2 
ATOM   2891 H HA   . ALA   B 1 77  ? -13.341 3.097   3.409   1   23.775  ? 89  ALA   B HA   1 c 2 
ATOM   2892 H HB1  . ALA   B 1 77  ? -12.594 1.019   4.016   1   23.279  ? 89  ALA   B HB1  1 c 2 
ATOM   2893 H HB2  . ALA   B 1 77  ? -13.965 0.704   4.748   1   23.055  ? 89  ALA   B HB2  1 c 2 
ATOM   2894 H HB3  . ALA   B 1 77  ? -13.926 0.864   3.171   1   23.687  ? 89  ALA   B HB3  1 c 2 
ATOM   2895 N N    . TRP   B 1 78  ? -16.061 2.839   5.09    1   23.708  ? 90  TRP   B N    1 ? 2 
ATOM   2896 C CA   . TRP   B 1 78  ? -17.483 3.112   4.991   1   24.881  ? 90  TRP   B CA   1 ? 2 
ATOM   2897 C C    . TRP   B 1 78  ? -17.799 4.588   4.745   1   25.654  ? 90  TRP   B C    1 ? 2 
ATOM   2898 O O    . TRP   B 1 78  ? -18.679 4.907   3.93    1   27.35   ? 90  TRP   B O    1 ? 2 
ATOM   2899 C CB   . TRP   B 1 78  ? -18.223 2.617   6.232   1   22.201  ? 90  TRP   B CB   1 ? 2 
ATOM   2900 C CG   . TRP   B 1 78  ? -18.714 1.204   6.112   1   23.932  ? 90  TRP   B CG   1 ? 2 
ATOM   2901 C CD1  . TRP   B 1 78  ? -18.061 0.065   5.754   1   25.645  ? 90  TRP   B CD1  1 ? 2 
ATOM   2902 C CD2  . TRP   B 1 78  ? -20.064 0.802   6.401   1   24.667  ? 90  TRP   B CD2  1 ? 2 
ATOM   2903 N NE1  . TRP   B 1 78  ? -18.909 -1.021  5.805   1   24.174  ? 90  TRP   B NE1  1 ? 2 
ATOM   2904 C CE2  . TRP   B 1 78  ? -20.146 -0.597  6.187   1   26.122  ? 90  TRP   B CE2  1 ? 2 
ATOM   2905 C CE3  . TRP   B 1 78  ? -21.204 1.489   6.815   1   25.837  ? 90  TRP   B CE3  1 ? 2 
ATOM   2906 C CZ2  . TRP   B 1 78  ? -21.34  -1.29   6.344   1   26.898  ? 90  TRP   B CZ2  1 ? 2 
ATOM   2907 C CZ3  . TRP   B 1 78  ? -22.363 0.794   6.987   1   29.885  ? 90  TRP   B CZ3  1 ? 2 
ATOM   2908 C CH2  . TRP   B 1 78  ? -22.42  -0.576  6.758   1   29.272  ? 90  TRP   B CH2  1 ? 2 
ATOM   2909 H H    . TRP   B 1 78  ? -15.697 2.626   5.901   1   23.549  ? 90  TRP   B H    1 c 2 
ATOM   2910 H HA   . TRP   B 1 78  ? -17.832 2.597   4.214   1   24.546  ? 90  TRP   B HA   1 c 2 
ATOM   2911 H HB2  . TRP   B 1 78  ? -17.623 2.682   7.005   1   22.815  ? 90  TRP   B HB2  1 c 2 
ATOM   2912 H HB3  . TRP   B 1 78  ? -18.991 3.206   6.394   1   23.936  ? 90  TRP   B HB3  1 c 2 
ATOM   2913 H HD1  . TRP   B 1 78  ? -17.148 0.016   5.518   1   23.937  ? 90  TRP   B HD1  1 c 2 
ATOM   2914 H HE1  . TRP   B 1 78  ? -18.698 -1.834  5.596   1   24.987  ? 90  TRP   B HE1  1 c 2 
ATOM   2915 H HE3  . TRP   B 1 78  ? -21.175 2.419   6.963   1   26.474  ? 90  TRP   B HE3  1 c 2 
ATOM   2916 H HZ2  . TRP   B 1 78  ? -21.387 -2.222  6.212   1   27.758  ? 90  TRP   B HZ2  1 c 2 
ATOM   2917 H HZ3  . TRP   B 1 78  ? -23.14  1.251   7.26    1   30.215  ? 90  TRP   B HZ3  1 c 2 
ATOM   2918 H HH2  . TRP   B 1 78  ? -23.236 -1.025  6.889   1   30.565  ? 90  TRP   B HH2  1 c 2 
ATOM   2919 N N    . ASP   B 1 79  ? -17.136 5.489   5.47    1   23.504  ? 91  ASP   B N    1 ? 2 
ATOM   2920 C CA   . ASP   B 1 79  ? -17.291 6.893   5.247   1   25.278  ? 91  ASP   B CA   1 ? 2 
ATOM   2921 C C    . ASP   B 1 79  ? -16.955 7.242   3.783   1   27.041  ? 91  ASP   B C    1 ? 2 
ATOM   2922 O O    . ASP   B 1 79  ? -17.613 8.097   3.215   1   30.086  ? 91  ASP   B O    1 ? 2 
ATOM   2923 C CB   . ASP   B 1 79  ? -16.459 7.694   6.252   1   24.991  ? 91  ASP   B CB   1 ? 2 
ATOM   2924 C CG   . ASP   B 1 79  ? -17.046 7.865   7.646   1   25.344  ? 91  ASP   B CG   1 ? 2 
ATOM   2925 O OD1  . ASP   B 1 79  ? -18.276 7.786   7.748   1   26.234  ? 91  ASP   B OD1  1 ? 2 
ATOM   2926 O OD2  . ASP   B 1 79  ? -16.266 8.251   8.579   1   29.117  ? 91  ASP   B OD2  1 ? 2 
ATOM   2927 H H    . ASP   B 1 79  ? -16.57  5.206   6.13    1   23.687  ? 91  ASP   B H    1 c 2 
ATOM   2928 H HA   . ASP   B 1 79  ? -18.236 7.12    5.401   1   25.965  ? 91  ASP   B HA   1 c 2 
ATOM   2929 H HB2  . ASP   B 1 79  ? -15.583 7.264   6.346   1   24.421  ? 91  ASP   B HB2  1 c 2 
ATOM   2930 H HB3  . ASP   B 1 79  ? -16.31  8.589   5.883   1   25.808  ? 91  ASP   B HB3  1 c 2 
ATOM   2931 N N    . ILE   B 1 80  ? -15.895 6.638   3.214   1   24.44   ? 92  ILE   B N    1 ? 2 
ATOM   2932 C CA   . ILE   B 1 80  ? -15.524 6.842   1.818   1   27.617  ? 92  ILE   B CA   1 ? 2 
ATOM   2933 C C    . ILE   B 1 80  ? -16.537 6.193   0.87    1   28.297  ? 92  ILE   B C    1 ? 2 
ATOM   2934 O O    . ILE   B 1 80  ? -17.03  6.84    -0.092  1   30.401  ? 92  ILE   B O    1 ? 2 
ATOM   2935 C CB   . ILE   B 1 80  ? -14.114 6.29    1.564   1   28.059  ? 92  ILE   B CB   1 ? 2 
ATOM   2936 C CG1  . ILE   B 1 80  ? -13.04  7.087   2.234   1   30.249  ? 92  ILE   B CG1  1 ? 2 
ATOM   2937 C CG2  . ILE   B 1 80  ? -13.778 6.141   0.064   1   32.389  ? 92  ILE   B CG2  1 ? 2 
ATOM   2938 C CD1  . ILE   B 1 80  ? -11.809 6.223   2.464   1   31.995  ? 92  ILE   B CD1  1 ? 2 
ATOM   2939 H H    . ILE   B 1 80  ? -15.382 6.079   3.724   1   24.698  ? 92  ILE   B H    1 c 2 
ATOM   2940 H HA   . ILE   B 1 80  ? -15.51  7.803   1.643   1   28.185  ? 92  ILE   B HA   1 c 2 
ATOM   2941 H HB   . ILE   B 1 80  ? -14.089 5.393   1.952   1   27.982  ? 92  ILE   B HB   1 c 2 
ATOM   2942 H HG12 . ILE   B 1 80  ? -12.802 7.852   1.672   1   31.33   ? 92  ILE   B HG12 1 c 2 
ATOM   2943 H HG13 . ILE   B 1 80  ? -13.368 7.422   3.093   1   29.949  ? 92  ILE   B HG13 1 c 2 
ATOM   2944 H HG21 . ILE   B 1 80  ? -12.855 5.86    -0.04   1   31.452  ? 92  ILE   B HG21 1 c 2 
ATOM   2945 H HG22 . ILE   B 1 80  ? -13.907 6.994   -0.385  1   32.479  ? 92  ILE   B HG22 1 c 2 
ATOM   2946 H HG23 . ILE   B 1 80  ? -14.361 5.475   -0.338  1   31.397  ? 92  ILE   B HG23 1 c 2 
ATOM   2947 H HD11 . ILE   B 1 80  ? -12.052 5.439   2.992   1   30.366  ? 92  ILE   B HD11 1 c 2 
ATOM   2948 H HD12 . ILE   B 1 80  ? -11.139 6.742   2.947   1   31.658  ? 92  ILE   B HD12 1 c 2 
ATOM   2949 H HD13 . ILE   B 1 80  ? -11.437 5.934   1.61    1   31.795  ? 92  ILE   B HD13 1 c 2 
ATOM   2950 N N    . GLY   B 1 81  ? -16.9   4.931   1.149   1   25.815  ? 93  GLY   B N    1 ? 2 
ATOM   2951 C CA   . GLY   B 1 81  ? -17.738 4.173   0.213   1   29.929  ? 93  GLY   B CA   1 ? 2 
ATOM   2952 C C    . GLY   B 1 81  ? -19.202 4.59    0.215   1   28.819  ? 93  GLY   B C    1 ? 2 
ATOM   2953 O O    . GLY   B 1 81  ? -19.777 4.777   -0.851  1   31.4    ? 93  GLY   B O    1 ? 2 
ATOM   2954 H H    . GLY   B 1 81  ? -16.623 4.533   1.924   1   26.012  ? 93  GLY   B H    1 c 2 
ATOM   2955 H HA2  . GLY   B 1 81  ? -17.376 4.283   -0.694  1   29.41   ? 93  GLY   B HA2  1 c 2 
ATOM   2956 H HA3  . GLY   B 1 81  ? -17.677 3.216   0.442   1   28.078  ? 93  GLY   B HA3  1 c 2 
ATOM   2957 N N    . VAL   B 1 82  ? -19.82  4.798   1.394   1   29.499  ? 94  VAL   B N    1 ? 2 
ATOM   2958 C CA   . VAL   B 1 82  ? -21.218 5.172   1.452   1   31.263  ? 94  VAL   B CA   1 ? 2 
ATOM   2959 C C    . VAL   B 1 82  ? -21.421 6.592   0.896   1   35.283  ? 94  VAL   B C    1 ? 2 
ATOM   2960 O O    . VAL   B 1 82  ? -22.482 6.86    0.328   1   34.789  ? 94  VAL   B O    1 ? 2 
ATOM   2961 C CB   . VAL   B 1 82  ? -21.797 4.938   2.859   1   36.253  ? 94  VAL   B CB   1 ? 2 
ATOM   2962 C CG1  . VAL   B 1 82  ? -23.229 5.417   2.992   1   39.765  ? 94  VAL   B CG1  1 ? 2 
ATOM   2963 C CG2  . VAL   B 1 82  ? -21.637 3.467   3.267   1   37.081  ? 94  VAL   B CG2  1 ? 2 
ATOM   2964 H H    . VAL   B 1 82  ? -19.35  4.71    2.173   1   28.449  ? 94  VAL   B H    1 c 2 
ATOM   2965 H HA   . VAL   B 1 82  ? -21.694 4.566   0.852   1   33.328  ? 94  VAL   B HA   1 c 2 
ATOM   2966 H HB   . VAL   B 1 82  ? -21.254 5.475   3.483   1   35.016  ? 94  VAL   B HB   1 c 2 
ATOM   2967 H HG11 . VAL   B 1 82  ? -23.761 5.058   2.261   1   40.307  ? 94  VAL   B HG11 1 c 2 
ATOM   2968 H HG12 . VAL   B 1 82  ? -23.254 6.388   2.963   1   39.8    ? 94  VAL   B HG12 1 c 2 
ATOM   2969 H HG13 . VAL   B 1 82  ? -23.595 5.109   3.838   1   39.381  ? 94  VAL   B HG13 1 c 2 
ATOM   2970 H HG21 . VAL   B 1 82  ? -22.057 3.323   4.132   1   36.731  ? 94  VAL   B HG21 1 c 2 
ATOM   2971 H HG22 . VAL   B 1 82  ? -20.693 3.245   3.327   1   35.286  ? 94  VAL   B HG22 1 c 2 
ATOM   2972 H HG23 . VAL   B 1 82  ? -22.061 2.898   2.604   1   37.297  ? 94  VAL   B HG23 1 c 2 
ATOM   2973 N N    . ALA   B 1 83  ? -20.393 7.468   0.99    1   30.684  ? 95  ALA   B N    1 ? 2 
ATOM   2974 C CA   . ALA   B 1 83  ? -20.437 8.785   0.377   1   35.028  ? 95  ALA   B CA   1 ? 2 
ATOM   2975 C C    . ALA   B 1 83  ? -20.642 8.742   -1.136  1   39.484  ? 95  ALA   B C    1 ? 2 
ATOM   2976 O O    . ALA   B 1 83  ? -21.044 9.757   -1.704  1   40.97   ? 95  ALA   B O    1 ? 2 
ATOM   2977 C CB   . ALA   B 1 83  ? -19.151 9.572   0.642   1   34.37   ? 95  ALA   B CB   1 ? 2 
ATOM   2978 H H    . ALA   B 1 83  ? -19.646 7.23    1.459   1   31.018  ? 95  ALA   B H    1 c 2 
ATOM   2979 H HA   . ALA   B 1 83  ? -21.205 9.281   0.775   1   35.762  ? 95  ALA   B HA   1 c 2 
ATOM   2980 H HB1  . ALA   B 1 83  ? -19.019 9.669   1.6     1   33.689  ? 95  ALA   B HB1  1 c 2 
ATOM   2981 H HB2  . ALA   B 1 83  ? -18.394 9.1     0.259   1   33.783  ? 95  ALA   B HB2  1 c 2 
ATOM   2982 H HB3  . ALA   B 1 83  ? -19.218 10.454  0.238   1   35.718  ? 95  ALA   B HB3  1 c 2 
ATOM   2983 N N    . THR   B 1 84  ? -20.272 7.626   -1.786  1   37.573  ? 96  THR   B N    1 ? 2 
ATOM   2984 C CA   . THR   B 1 84  ? -20.421 7.476   -3.226  1   41.881  ? 96  THR   B CA   1 ? 2 
ATOM   2985 C C    . THR   B 1 84  ? -21.799 6.95    -3.647  1   43.732  ? 96  THR   B C    1 ? 2 
ATOM   2986 O O    . THR   B 1 84  ? -22.026 6.844   -4.845  1   44.883  ? 96  THR   B O    1 ? 2 
ATOM   2987 C CB   . THR   B 1 84  ? -19.35  6.568   -3.818  1   38.393  ? 96  THR   B CB   1 ? 2 
ATOM   2988 O OG1  . THR   B 1 84  ? -19.618 5.207   -3.408  1   38.68   ? 96  THR   B OG1  1 ? 2 
ATOM   2989 C CG2  . THR   B 1 84  ? -17.926 6.935   -3.471  1   39.542  ? 96  THR   B CG2  1 ? 2 
ATOM   2990 H H    . THR   B 1 84  ? -19.897 6.939   -1.315  1   36.999  ? 96  THR   B H    1 c 2 
ATOM   2991 H HA   . THR   B 1 84  ? -20.307 8.364   -3.627  1   42.009  ? 96  THR   B HA   1 c 2 
ATOM   2992 H HB   . THR   B 1 84  ? -19.423 6.615   -4.801  1   41.245  ? 96  THR   B HB   1 c 2 
ATOM   2993 H HG1  . THR   B 1 84  ? -19.667 5.206   -2.481  0   30      ? 96  THR   B HG1  1 c 2 
ATOM   2994 H HG21 . THR   B 1 84  ? -17.317 6.306   -3.892  1   38.736  ? 96  THR   B HG21 1 c 2 
ATOM   2995 H HG22 . THR   B 1 84  ? -17.808 6.902   -2.508  1   37.354  ? 96  THR   B HG22 1 c 2 
ATOM   2996 H HG23 . THR   B 1 84  ? -17.736 7.833   -3.789  1   39.838  ? 96  THR   B HG23 1 c 2 
ATOM   2997 N N    . MET   B 1 85  ? -22.713 6.623   -2.728  1   44.713  ? 97  MET   B N    1 ? 2 
ATOM   2998 C CA   . MET   B 1 85  ? -23.912 5.869   -3.085  1   50.01   ? 97  MET   B CA   1 ? 2 
ATOM   2999 C C    . MET   B 1 85  ? -25.15  6.76    -3.226  1   48.55   ? 97  MET   B C    1 ? 2 
ATOM   3000 O O    . MET   B 1 85  ? -25.26  7.769   -2.537  1   43.999  ? 97  MET   B O    1 ? 2 
ATOM   3001 C CB   . MET   B 1 85  ? -24.201 4.827   -1.993  1   45.093  ? 97  MET   B CB   1 ? 2 
ATOM   3002 C CG   . MET   B 1 85  ? -23.095 3.831   -1.806  1   40.505  ? 97  MET   B CG   1 ? 2 
ATOM   3003 S SD   . MET   B 1 85  ? -23.344 2.505   -0.578  1   38.766  ? 97  MET   B SD   1 ? 2 
ATOM   3004 C CE   . MET   B 1 85  ? -22.06  1.871   -1.643  1   33.278  ? 97  MET   B CE   1 ? 2 
ATOM   3005 H H    . MET   B 1 85  ? -22.593 6.874   -1.858  1   43.981  ? 97  MET   B H    1 c 2 
ATOM   3006 H HA   . MET   B 1 85  ? -23.751 5.408   -3.945  1   48.647  ? 97  MET   B HA   1 c 2 
ATOM   3007 H HB2  . MET   B 1 85  ? -24.348 5.296   -1.147  1   44.709  ? 97  MET   B HB2  1 c 2 
ATOM   3008 H HB3  . MET   B 1 85  ? -25.027 4.35    -2.222  1   46.71   ? 97  MET   B HB3  1 c 2 
ATOM   3009 H HG2  . MET   B 1 85  ? -22.92  3.42    -2.672  1   41.559  ? 97  MET   B HG2  1 c 2 
ATOM   3010 H HG3  . MET   B 1 85  ? -22.288 4.322   -1.554  1   39.6    ? 97  MET   B HG3  1 c 2 
ATOM   3011 H HE1  . MET   B 1 85  ? -21.75  1.017   -1.292  1   33.762  ? 97  MET   B HE1  1 c 2 
ATOM   3012 H HE2  . MET   B 1 85  ? -22.41  1.752   -2.545  1   36.191  ? 97  MET   B HE2  1 c 2 
ATOM   3013 H HE3  . MET   B 1 85  ? -21.305 2.488   -1.655  1   33.686  ? 97  MET   B HE3  1 c 2 
ATOM   3014 N N    . LYS   B 1 86  ? -26.14  6.309   -4.032  1   51.873  ? 98  LYS   B N    1 ? 2 
ATOM   3015 C CA   . LYS   B 1 86  ? -27.429 6.988   -4.2    1   56.038  ? 98  LYS   B CA   1 ? 2 
ATOM   3016 C C    . LYS   B 1 86  ? -28.539 6.21    -3.475  1   56.849  ? 98  LYS   B C    1 ? 2 
ATOM   3017 O O    . LYS   B 1 86  ? -28.371 5.034   -3.142  1   54.184  ? 98  LYS   B O    1 ? 2 
ATOM   3018 C CB   . LYS   B 1 86  ? -27.787 7.201   -5.68   1   57.972  ? 98  LYS   B CB   1 ? 2 
ATOM   3019 H H    . LYS   B 1 86  ? -25.999 5.534   -4.496  1   52.153  ? 98  LYS   B H    1 c 2 
ATOM   3020 H HA   . LYS   B 1 86  ? -27.362 7.883   -3.78   1   55.25   ? 98  LYS   B HA   1 c 2 
ATOM   3021 H HB2  . LYS   B 1 86  ? -26.936 7.113   -6.197  0   30      ? 98  LYS   B HB2  1 c 2 
ATOM   3022 H HB3  . LYS   B 1 86  ? -28.75  7.085   -5.792  0   30      ? 98  LYS   B HB3  1 c 2 
ATOM   3023 N N    . LYS   B 1 87  ? -29.654 6.895   -3.143  1   57.847  ? 99  LYS   B N    1 ? 2 
ATOM   3024 C CA   . LYS   B 1 87  ? -30.768 6.279   -2.422  1   59.955  ? 99  LYS   B CA   1 ? 2 
ATOM   3025 C C    . LYS   B 1 87  ? -31.265 5.082   -3.239  1   62.319  ? 99  LYS   B C    1 ? 2 
ATOM   3026 O O    . LYS   B 1 87  ? -31.53  5.26    -4.418  1   64.104  ? 99  LYS   B O    1 ? 2 
ATOM   3027 C CB   . LYS   B 1 87  ? -32.001 7.185   -2.212  1   61.422  ? 99  LYS   B CB   1 ? 2 
ATOM   3028 H H    . LYS   B 1 87  ? -29.716 7.777   -3.375  1   59.179  ? 99  LYS   B H    1 c 2 
ATOM   3029 H HA   . LYS   B 1 87  ? -30.439 5.96    -1.543  1   57.692  ? 99  LYS   B HA   1 c 2 
ATOM   3030 H HB2  . LYS   B 1 87  ? -31.683 8.103   -2.106  0   30      ? 99  LYS   B HB2  1 c 2 
ATOM   3031 H HB3  . LYS   B 1 87  ? -32.794 6.635   -2.358  0   30      ? 99  LYS   B HB3  1 c 2 
ATOM   3032 N N    . GLY   B 1 88  ? -31.296 3.881   -2.625  1   64.542  ? 100 GLY   B N    1 ? 2 
ATOM   3033 C CA   . GLY   B 1 88  ? -31.755 2.663   -3.293  1   68.85   ? 100 GLY   B CA   1 ? 2 
ATOM   3034 C C    . GLY   B 1 88  ? -30.619 1.801   -3.855  1   66.481  ? 100 GLY   B C    1 ? 2 
ATOM   3035 O O    . GLY   B 1 88  ? -30.834 0.633   -4.189  1   65.677  ? 100 GLY   B O    1 ? 2 
ATOM   3036 H H    . GLY   B 1 88  ? -31.02  3.822   -1.756  1   62.442  ? 100 GLY   B H    1 c 2 
ATOM   3037 H HA2  . GLY   B 1 88  ? -32.273 2.128   -2.647  1   68.888  ? 100 GLY   B HA2  1 c 2 
ATOM   3038 H HA3  . GLY   B 1 88  ? -32.364 2.913   -4.027  1   70.857  ? 100 GLY   B HA3  1 c 2 
ATOM   3039 N N    . GLU   B 1 89  ? -29.404 2.345   -3.9    1   63.886  ? 101 GLU   B N    1 ? 2 
ATOM   3040 C CA   . GLU   B 1 89  ? -28.264 1.609   -4.43   1   61.02   ? 101 GLU   B CA   1 ? 2 
ATOM   3041 C C    . GLU   B 1 89  ? -27.823 0.435   -3.524  1   60.218  ? 101 GLU   B C    1 ? 2 
ATOM   3042 O O    . GLU   B 1 89  ? -27.804 0.52    -2.287  1   55.104  ? 101 GLU   B O    1 ? 2 
ATOM   3043 C CB   . GLU   B 1 89  ? -27.112 2.603   -4.599  1   59.229  ? 101 GLU   B CB   1 ? 2 
ATOM   3044 C CG   . GLU   B 1 89  ? -25.863 2.005   -5.252  1   54.06   ? 101 GLU   B CG   1 ? 2 
ATOM   3045 C CD   . GLU   B 1 89  ? -24.728 3.006   -5.324  1   52.597  ? 101 GLU   B CD   1 ? 2 
ATOM   3046 O OE1  . GLU   B 1 89  ? -25.001 4.128   -5.797  1   52.496  ? 101 GLU   B OE1  1 ? 2 
ATOM   3047 O OE2  . GLU   B 1 89  ? -23.595 2.635   -4.891  1   42.964  ? 101 GLU   B OE2  1 ? 2 
ATOM   3048 H H    . GLU   B 1 89  ? -29.274 3.195   -3.591  1   62.702  ? 101 GLU   B H    1 c 2 
ATOM   3049 H HA   . GLU   B 1 89  ? -28.512 1.254   -5.318  1   63.539  ? 101 GLU   B HA   1 c 2 
ATOM   3050 H HB2  . GLU   B 1 89  ? -27.426 3.356   -5.142  1   59.697  ? 101 GLU   B HB2  1 c 2 
ATOM   3051 H HB3  . GLU   B 1 89  ? -26.867 2.953   -3.718  1   56.347  ? 101 GLU   B HB3  1 c 2 
ATOM   3052 H HG2  . GLU   B 1 89  ? -25.565 1.226   -4.737  1   53.626  ? 101 GLU   B HG2  1 c 2 
ATOM   3053 H HG3  . GLU   B 1 89  ? -26.082 1.706   -6.161  1   56.996  ? 101 GLU   B HG3  1 c 2 
ATOM   3054 N N    . ILE   B 1 90  ? -27.366 -0.653  -4.17   1   55.141  ? 102 ILE   B N    1 ? 2 
ATOM   3055 C CA   . ILE   B 1 90  ? -26.634 -1.733  -3.507  1   53.602  ? 102 ILE   B CA   1 ? 2 
ATOM   3056 C C    . ILE   B 1 90  ? -25.238 -1.796  -4.1    1   45.79   ? 102 ILE   B C    1 ? 2 
ATOM   3057 O O    . ILE   B 1 90  ? -25.105 -1.845  -5.311  1   45.859  ? 102 ILE   B O    1 ? 2 
ATOM   3058 C CB   . ILE   B 1 90  ? -27.318 -3.109  -3.649  1   54.336  ? 102 ILE   B CB   1 ? 2 
ATOM   3059 C CG1  . ILE   B 1 90  ? -28.633 -3.138  -2.909  1   59.139  ? 102 ILE   B CG1  1 ? 2 
ATOM   3060 C CG2  . ILE   B 1 90  ? -26.396 -4.233  -3.155  1   50.991  ? 102 ILE   B CG2  1 ? 2 
ATOM   3061 C CD1  . ILE   B 1 90  ? -29.413 -4.434  -3.085  1   60.34   ? 102 ILE   B CD1  1 ? 2 
ATOM   3062 H H    . ILE   B 1 90  ? -27.521 -0.725  -5.068  1   58.289  ? 102 ILE   B H    1 c 2 
ATOM   3063 H HA   . ILE   B 1 90  ? -26.564 -1.523  -2.56   1   50.359  ? 102 ILE   B HA   1 c 2 
ATOM   3064 H HB   . ILE   B 1 90  ? -27.502 -3.259  -4.598  1   56.828  ? 102 ILE   B HB   1 c 2 
ATOM   3065 H HG12 . ILE   B 1 90  ? -28.459 -3.003  -1.956  1   56.264  ? 102 ILE   B HG12 1 c 2 
ATOM   3066 H HG13 . ILE   B 1 90  ? -29.187 -2.394  -3.222  1   59.221  ? 102 ILE   B HG13 1 c 2 
ATOM   3067 H HG21 . ILE   B 1 90  ? -26.839 -5.091  -3.258  1   53.27   ? 102 ILE   B HG21 1 c 2 
ATOM   3068 H HG22 . ILE   B 1 90  ? -26.182 -4.091  -2.218  1   49.653  ? 102 ILE   B HG22 1 c 2 
ATOM   3069 H HG23 . ILE   B 1 90  ? -25.575 -4.236  -3.675  1   50.568  ? 102 ILE   B HG23 1 c 2 
ATOM   3070 H HD11 . ILE   B 1 90  ? -29.509 -4.631  -4.036  1   62.684  ? 102 ILE   B HD11 1 c 2 
ATOM   3071 H HD12 . ILE   B 1 90  ? -30.296 -4.334  -2.685  1   62.544  ? 102 ILE   B HD12 1 c 2 
ATOM   3072 H HD13 . ILE   B 1 90  ? -28.944 -5.17   -2.648  1   59.819  ? 102 ILE   B HD13 1 c 2 
ATOM   3073 N N    . ALA   B 1 91  ? -24.229 -1.868  -3.213  1   43.868  ? 103 ALA   B N    1 ? 2 
ATOM   3074 C CA   . ALA   B 1 91  ? -22.843 -1.942  -3.645  1   40.257  ? 103 ALA   B CA   1 ? 2 
ATOM   3075 C C    . ALA   B 1 91  ? -22.096 -3.008  -2.844  1   38.894  ? 103 ALA   B C    1 ? 2 
ATOM   3076 O O    . ALA   B 1 91  ? -22.434 -3.295  -1.675  1   38.1    ? 103 ALA   B O    1 ? 2 
ATOM   3077 C CB   . ALA   B 1 91  ? -22.191 -0.572  -3.432  1   41.475  ? 103 ALA   B CB   1 ? 2 
ATOM   3078 H H    . ALA   B 1 91  ? -24.412 -1.871  -2.317  1   42.272  ? 103 ALA   B H    1 c 2 
ATOM   3079 H HA   . ALA   B 1 91  ? -22.816 -2.184  -4.61   1   42.705  ? 103 ALA   B HA   1 c 2 
ATOM   3080 H HB1  . ALA   B 1 91  ? -22.741 0.119   -3.838  1   41.663  ? 103 ALA   B HB1  1 c 2 
ATOM   3081 H HB2  . ALA   B 1 91  ? -22.107 -0.406  -2.482  1   38.972  ? 103 ALA   B HB2  1 c 2 
ATOM   3082 H HB3  . ALA   B 1 91  ? -21.308 -0.561  -3.84   1   40.028  ? 103 ALA   B HB3  1 c 2 
ATOM   3083 N N    . HIS   B 1 92  ? -21.011 -3.456  -3.449  1   33.169  ? 104 HIS   B N    1 ? 2 
ATOM   3084 C CA   . HIS   B 1 92  ? -20.004 -4.277  -2.837  1   34.808  ? 104 HIS   B CA   1 ? 2 
ATOM   3085 C C    . HIS   B 1 92  ? -18.724 -3.471  -2.628  1   35.22   ? 104 HIS   B C    1 ? 2 
ATOM   3086 O O    . HIS   B 1 92  ? -18.327 -2.722  -3.522  1   36.797  ? 104 HIS   B O    1 ? 2 
ATOM   3087 C CB   . HIS   B 1 92  ? -19.643 -5.508  -3.652  1   37.883  ? 104 HIS   B CB   1 ? 2 
ATOM   3088 C CG   . HIS   B 1 92  ? -20.743 -6.504  -3.673  1   39.335  ? 104 HIS   B CG   1 ? 2 
ATOM   3089 N ND1  . HIS   B 1 92  ? -20.659 -7.672  -4.38   1   41.918  ? 104 HIS   B ND1  1 ? 2 
ATOM   3090 C CD2  . HIS   B 1 92  ? -21.904 -6.545  -3.02   1   40.172  ? 104 HIS   B CD2  1 ? 2 
ATOM   3091 C CE1  . HIS   B 1 92  ? -21.76  -8.359  -4.189  1   43.987  ? 104 HIS   B CE1  1 ? 2 
ATOM   3092 N NE2  . HIS   B 1 92  ? -22.528 -7.71   -3.344  1   41.167  ? 104 HIS   B NE2  1 ? 2 
ATOM   3093 H H    . HIS   B 1 92  ? -20.891 -3.228  -4.326  1   36.166  ? 104 HIS   B H    1 c 2 
ATOM   3094 H HA   . HIS   B 1 92  ? -20.336 -4.566  -1.955  1   34.268  ? 104 HIS   B HA   1 c 2 
ATOM   3095 H HB2  . HIS   B 1 92  ? -19.44  -5.233  -4.573  1   38.463  ? 104 HIS   B HB2  1 c 2 
ATOM   3096 H HB3  . HIS   B 1 92  ? -18.841 -5.923  -3.266  1   36.435  ? 104 HIS   B HB3  1 c 2 
ATOM   3097 H HD1  . HIS   B 1 92  ? -19.953 -7.933  -4.815  0   30      ? 104 HIS   B HD1  1 c 2 
ATOM   3098 H HD2  . HIS   B 1 92  ? -22.24  -5.893  -2.437  1   38.878  ? 104 HIS   B HD2  1 c 2 
ATOM   3099 H HE1  . HIS   B 1 92  ? -21.951 -9.197  -4.575  1   45.476  ? 104 HIS   B HE1  1 c 2 
ATOM   3100 H HE2  . HIS   B 1 92  ? -23.359 -7.966  -3.141  0   30      ? 104 HIS   B HE2  1 c 2 
ATOM   3101 N N    . LEU   B 1 93  ? -18.093 -3.646  -1.456  1   33.675  ? 105 LEU   B N    1 ? 2 
ATOM   3102 C CA   . LEU   B 1 93  ? -16.83  -2.995  -1.124  1   29.203  ? 105 LEU   B CA   1 ? 2 
ATOM   3103 C C    . LEU   B 1 93  ? -15.856 -4.053  -0.684  1   27.183  ? 105 LEU   B C    1 ? 2 
ATOM   3104 O O    . LEU   B 1 93  ? -16.225 -4.881  0.174   1   30.322  ? 105 LEU   B O    1 ? 2 
ATOM   3105 C CB   . LEU   B 1 93  ? -16.987 -1.998  0.025   1   27.631  ? 105 LEU   B CB   1 ? 2 
ATOM   3106 C CG   . LEU   B 1 93  ? -17.942 -0.835  -0.194  1   31.671  ? 105 LEU   B CG   1 ? 2 
ATOM   3107 C CD1  . LEU   B 1 93  ? -18.123 0.024   1.042   1   32.592  ? 105 LEU   B CD1  1 ? 2 
ATOM   3108 C CD2  . LEU   B 1 93  ? -17.334 -0.027  -1.345  1   35.775  ? 105 LEU   B CD2  1 ? 2 
ATOM   3109 H H    . LEU   B 1 93  ? -18.47  -4.198  -0.833  1   32.763  ? 105 LEU   B H    1 c 2 
ATOM   3110 H HA   . LEU   B 1 93  ? -16.482 -2.536  -1.924  1   30.056  ? 105 LEU   B HA   1 c 2 
ATOM   3111 H HB2  . LEU   B 1 93  ? -17.286 -2.495  0.821   1   28.037  ? 105 LEU   B HB2  1 c 2 
ATOM   3112 H HB3  . LEU   B 1 93  ? -16.097 -1.631  0.235   1   27.645  ? 105 LEU   B HB3  1 c 2 
ATOM   3113 H HG   . LEU   B 1 93  ? -18.824 -1.191  -0.477  1   32.962  ? 105 LEU   B HG   1 c 2 
ATOM   3114 H HD11 . LEU   B 1 93  ? -18.392 -0.535  1.789   1   31.682  ? 105 LEU   B HD11 1 c 2 
ATOM   3115 H HD12 . LEU   B 1 93  ? -18.808 0.694   0.875   1   32.56   ? 105 LEU   B HD12 1 c 2 
ATOM   3116 H HD13 . LEU   B 1 93  ? -17.284 0.467   1.255   1   31.181  ? 105 LEU   B HD13 1 c 2 
ATOM   3117 H HD21 . LEU   B 1 93  ? -17.377 -0.543  -2.167  1   35.753  ? 105 LEU   B HD21 1 c 2 
ATOM   3118 H HD22 . LEU   B 1 93  ? -16.406 0.183   -1.143  1   33.874  ? 105 LEU   B HD22 1 c 2 
ATOM   3119 H HD23 . LEU   B 1 93  ? -17.833 0.8     -1.459  1   35.058  ? 105 LEU   B HD23 1 c 2 
ATOM   3120 N N    . LEU   B 1 94  ? -14.633 -3.997  -1.176  1   26.508  ? 106 LEU   B N    1 ? 2 
ATOM   3121 C CA   . LEU   B 1 94  ? -13.538 -4.81   -0.664  1   28.782  ? 106 LEU   B CA   1 ? 2 
ATOM   3122 C C    . LEU   B 1 94  ? -12.466 -3.886  -0.085  1   31.503  ? 106 LEU   B C    1 ? 2 
ATOM   3123 O O    . LEU   B 1 94  ? -12.041 -2.914  -0.772  1   28.566  ? 106 LEU   B O    1 ? 2 
ATOM   3124 C CB   . LEU   B 1 94  ? -12.97  -5.724  -1.75   1   31.456  ? 106 LEU   B CB   1 ? 2 
ATOM   3125 C CG   . LEU   B 1 94  ? -11.81  -6.634  -1.323  1   33.623  ? 106 LEU   B CG   1 ? 2 
ATOM   3126 C CD1  . LEU   B 1 94  ? -12.2   -7.729  -0.384  1   33.077  ? 106 LEU   B CD1  1 ? 2 
ATOM   3127 C CD2  . LEU   B 1 94  ? -11.143 -7.301  -2.493  1   41.182  ? 106 LEU   B CD2  1 ? 2 
ATOM   3128 H H    . LEU   B 1 94  ? -14.461 -3.425  -1.868  1   27.793  ? 106 LEU   B H    1 c 2 
ATOM   3129 H HA   . LEU   B 1 94  ? -13.889 -5.373  0.071   1   28.682  ? 106 LEU   B HA   1 c 2 
ATOM   3130 H HB2  . LEU   B 1 94  ? -13.701 -6.291  -2.087  1   32.662  ? 106 LEU   B HB2  1 c 2 
ATOM   3131 H HB3  . LEU   B 1 94  ? -12.663 -5.16   -2.496  1   32.315  ? 106 LEU   B HB3  1 c 2 
ATOM   3132 H HG   . LEU   B 1 94  ? -11.129 -6.074  -0.869  1   33.2    ? 106 LEU   B HG   1 c 2 
ATOM   3133 H HD11 . LEU   B 1 94  ? -12.609 -7.346  0.41    1   32.017  ? 106 LEU   B HD11 1 c 2 
ATOM   3134 H HD12 . LEU   B 1 94  ? -11.411 -8.236  -0.128  1   33.521  ? 106 LEU   B HD12 1 c 2 
ATOM   3135 H HD13 . LEU   B 1 94  ? -12.836 -8.321  -0.821  1   34.355  ? 106 LEU   B HD13 1 c 2 
ATOM   3136 H HD21 . LEU   B 1 94  ? -10.853 -6.626  -3.129  1   39.875  ? 106 LEU   B HD21 1 c 2 
ATOM   3137 H HD22 . LEU   B 1 94  ? -11.772 -7.904  -2.926  1   40.493  ? 106 LEU   B HD22 1 c 2 
ATOM   3138 H HD23 . LEU   B 1 94  ? -10.372 -7.806  -2.184  1   39.61   ? 106 LEU   B HD23 1 c 2 
ATOM   3139 N N    . ILE   B 1 95  ? -12.04  -4.183  1.17    1   27.582  ? 107 ILE   B N    1 ? 2 
ATOM   3140 C CA   . ILE   B 1 95  ? -11.363 -3.192  2.01    1   25.503  ? 107 ILE   B CA   1 ? 2 
ATOM   3141 C C    . ILE   B 1 95  ? -10.063 -3.734  2.621   1   25.827  ? 107 ILE   B C    1 ? 2 
ATOM   3142 O O    . ILE   B 1 95  ? -10.052 -4.691  3.386   1   27.865  ? 107 ILE   B O    1 ? 2 
ATOM   3143 C CB   . ILE   B 1 95  ? -12.31  -2.683  3.108   1   26.542  ? 107 ILE   B CB   1 ? 2 
ATOM   3144 C CG1  . ILE   B 1 95  ? -13.582 -2.108  2.535   1   28.123  ? 107 ILE   B CG1  1 ? 2 
ATOM   3145 C CG2  . ILE   B 1 95  ? -11.586 -1.696  4.026   1   22.858  ? 107 ILE   B CG2  1 ? 2 
ATOM   3146 C CD1  . ILE   B 1 95  ? -14.723 -2.09   3.522   1   27.695  ? 107 ILE   B CD1  1 ? 2 
ATOM   3147 H H    . ILE   B 1 95  ? -12.174 -5.024  1.502   1   28.156  ? 107 ILE   B H    1 c 2 
ATOM   3148 H HA   . ILE   B 1 95  ? -11.134 -2.432  1.445   1   26.338  ? 107 ILE   B HA   1 c 2 
ATOM   3149 H HB   . ILE   B 1 95  ? -12.563 -3.456  3.652   1   25.816  ? 107 ILE   B HB   1 c 2 
ATOM   3150 H HG12 . ILE   B 1 95  ? -13.408 -1.194  2.233   1   27.704  ? 107 ILE   B HG12 1 c 2 
ATOM   3151 H HG13 . ILE   B 1 95  ? -13.851 -2.636  1.757   1   28.483  ? 107 ILE   B HG13 1 c 2 
ATOM   3152 H HG21 . ILE   B 1 95  ? -12.226 -1.284  4.631   1   23.358  ? 107 ILE   B HG21 1 c 2 
ATOM   3153 H HG22 . ILE   B 1 95  ? -11.159 -1.007  3.491   1   23.953  ? 107 ILE   B HG22 1 c 2 
ATOM   3154 H HG23 . ILE   B 1 95  ? -10.912 -2.165  4.545   1   23.788  ? 107 ILE   B HG23 1 c 2 
ATOM   3155 H HD11 . ILE   B 1 95  ? -14.888 -2.997  3.842   1   27.894  ? 107 ILE   B HD11 1 c 2 
ATOM   3156 H HD12 . ILE   B 1 95  ? -15.526 -1.748  3.087   1   28.085  ? 107 ILE   B HD12 1 c 2 
ATOM   3157 H HD13 . ILE   B 1 95  ? -14.496 -1.517  4.279   1   27.112  ? 107 ILE   B HD13 1 c 2 
ATOM   3158 N N    . LYS   B 1 96  ? -8.936  -3.058  2.33    1   25.032  ? 108 LYS   B N    1 ? 2 
ATOM   3159 C CA   . LYS   B 1 96  ? -7.666  -3.394  2.913   1   28.235  ? 108 LYS   B CA   1 ? 2 
ATOM   3160 C C    . LYS   B 1 96  ? -7.576  -2.874  4.353   1   27.264  ? 108 LYS   B C    1 ? 2 
ATOM   3161 O O    . LYS   B 1 96  ? -8.26   -1.902  4.697   1   26.763  ? 108 LYS   B O    1 ? 2 
ATOM   3162 C CB   . LYS   B 1 96  ? -6.56   -2.792  2.049   1   29.931  ? 108 LYS   B CB   1 ? 2 
ATOM   3163 C CG   . LYS   B 1 96  ? -6.423  -3.341  0.565   1   32.515  ? 108 LYS   B CG   1 ? 2 
ATOM   3164 C CD   . LYS   B 1 96  ? -5.384  -2.717  -0.386  1   37.308  ? 108 LYS   B CD   1 ? 2 
ATOM   3165 C CE   . LYS   B 1 96  ? -5.276  -3.566  -1.676  1   38.41   ? 108 LYS   B CE   1 ? 2 
ATOM   3166 N NZ   . LYS   B 1 96  ? -4.181  -2.974  -2.42   1   51.207  ? 108 LYS   B NZ   1 ? 2 
ATOM   3167 H H    . LYS   B 1 96  ? -8.977  -2.36   1.741   1   26.167  ? 108 LYS   B H    1 c 2 
ATOM   3168 H HA   . LYS   B 1 96  ? -7.573  -4.38   2.917   1   28.205  ? 108 LYS   B HA   1 c 2 
ATOM   3169 H HB2  . LYS   B 1 96  ? -6.706  -1.823  2       1   29.775  ? 108 LYS   B HB2  1 c 2 
ATOM   3170 H HB3  . LYS   B 1 96  ? -5.703  -2.934  2.503   1   30.645  ? 108 LYS   B HB3  1 c 2 
ATOM   3171 H HG2  . LYS   B 1 96  ? -6.235  -4.303  0.624   1   33.398  ? 108 LYS   B HG2  1 c 2 
ATOM   3172 H HG3  . LYS   B 1 96  ? -7.304  -3.259  0.14    1   32.56   ? 108 LYS   B HG3  1 c 2 
ATOM   3173 H HD2  . LYS   B 1 96  ? -5.654  -1.803  -0.618  1   36.227  ? 108 LYS   B HD2  1 c 2 
ATOM   3174 H HD3  . LYS   B 1 96  ? -4.509  -2.686  0.058   1   36.989  ? 108 LYS   B HD3  1 c 2 
ATOM   3175 H HE2  . LYS   B 1 96  ? -5.071  -4.494  -1.464  1   41.102  ? 108 LYS   B HE2  1 c 2 
ATOM   3176 H HE3  . LYS   B 1 96  ? -6.097  -3.524  -2.197  1   40.575  ? 108 LYS   B HE3  1 c 2 
ATOM   3177 H HZ1  . LYS   B 1 96  ? -3.393  -3.21   -2.04   1   48.018  ? 108 LYS   B HZ1  1 c 2 
ATOM   3178 H HZ2  . LYS   B 1 96  ? -4.248  -2.07   -2.419  1   46.992  ? 108 LYS   B HZ2  1 c 2 
ATOM   3179 H HZ3  . LYS   B 1 96  ? -4.197  -3.272  -3.275  1   48.7    ? 108 LYS   B HZ3  1 c 2 
ATOM   3180 N N    . PRO   B 1 97  ? -6.682  -3.433  5.205   1   27.744  ? 109 PRO   B N    1 ? 2 
ATOM   3181 C CA   . PRO   B 1 97  ? -6.673  -3.123  6.642   1   28.817  ? 109 PRO   B CA   1 ? 2 
ATOM   3182 C C    . PRO   B 1 97  ? -6.466  -1.652  6.952   1   27.38   ? 109 PRO   B C    1 ? 2 
ATOM   3183 O O    . PRO   B 1 97  ? -7.058  -1.139  7.904   1   27.439  ? 109 PRO   B O    1 ? 2 
ATOM   3184 C CB   . PRO   B 1 97  ? -5.637  -4.033  7.27    1   31.907  ? 109 PRO   B CB   1 ? 2 
ATOM   3185 C CG   . PRO   B 1 97  ? -4.962  -4.685  6.096   1   32.381  ? 109 PRO   B CG   1 ? 2 
ATOM   3186 C CD   . PRO   B 1 97  ? -5.745  -4.51   4.849   1   32.472  ? 109 PRO   B CD   1 ? 2 
ATOM   3187 H HA   . PRO   B 1 97  ? -7.543  -3.385  7.009   1   27.962  ? 109 PRO   B HA   1 c 2 
ATOM   3188 H HB2  . PRO   B 1 97  ? -4.996  -3.521  7.8     1   31.877  ? 109 PRO   B HB2  1 c 2 
ATOM   3189 H HB3  . PRO   B 1 97  ? -6.061  -4.701  7.843   1   31.225  ? 109 PRO   B HB3  1 c 2 
ATOM   3190 H HG2  . PRO   B 1 97  ? -4.073  -4.296  5.974   1   33.587  ? 109 PRO   B HG2  1 c 2 
ATOM   3191 H HG3  . PRO   B 1 97  ? -4.845  -5.638  6.273   1   33.212  ? 109 PRO   B HG3  1 c 2 
ATOM   3192 H HD2  . PRO   B 1 97  ? -5.174  -4.245  4.104   1   32.269  ? 109 PRO   B HD2  1 c 2 
ATOM   3193 H HD3  . PRO   B 1 97  ? -6.228  -5.327  4.614   1   31.485  ? 109 PRO   B HD3  1 c 2 
ATOM   3194 N N    . GLU   B 1 98  ? -5.729  -0.937  6.091   1   30.217  ? 110 GLU   B N    1 ? 2 
ATOM   3195 C CA   . GLU   B 1 98  ? -5.449  0.47    6.329   1   30.785  ? 110 GLU   B CA   1 ? 2 
ATOM   3196 C C    . GLU   B 1 98  ? -6.735  1.285   6.448   1   28.494  ? 110 GLU   B C    1 ? 2 
ATOM   3197 O O    . GLU   B 1 98  ? -6.699  2.313   7.118   1   25.522  ? 110 GLU   B O    1 ? 2 
ATOM   3198 C CB   . GLU   B 1 98  ? -4.506  0.993   5.256   1   35.838  ? 110 GLU   B CB   1 ? 2 
ATOM   3199 C CG   . GLU   B 1 98  ? -3.136  0.325   5.363   1   39.321  ? 110 GLU   B CG   1 ? 2 
ATOM   3200 C CD   . GLU   B 1 98  ? -2.959  -1.078  4.79    1   46.192  ? 110 GLU   B CD   1 ? 2 
ATOM   3201 O OE1  . GLU   B 1 98  ? -3.763  -1.664  4.01    1   39.519  ? 110 GLU   B OE1  1 ? 2 
ATOM   3202 O OE2  . GLU   B 1 98  ? -1.898  -1.595  5.193   1   57.962  ? 110 GLU   B OE2  1 ? 2 
ATOM   3203 H H    . GLU   B 1 98  ? -5.407  -1.331  5.333   1   30.356  ? 110 GLU   B H    1 c 2 
ATOM   3204 H HA   . GLU   B 1 98  ? -4.973  0.537   7.195   1   31.727  ? 110 GLU   B HA   1 c 2 
ATOM   3205 H HB2  . GLU   B 1 98  ? -4.894  0.818   4.373   1   35.107  ? 110 GLU   B HB2  1 c 2 
ATOM   3206 H HB3  . GLU   B 1 98  ? -4.411  1.963   5.357   1   35.742  ? 110 GLU   B HB3  1 c 2 
ATOM   3207 H HG2  . GLU   B 1 98  ? -2.477  0.907   4.929   1   41.63   ? 110 GLU   B HG2  1 c 2 
ATOM   3208 H HG3  . GLU   B 1 98  ? -2.887  0.291   6.311   1   40.459  ? 110 GLU   B HG3  1 c 2 
ATOM   3209 N N    . TYR   B 1 99  ? -7.811  0.845   5.793   1   24.492  ? 111 TYR   B N    1 ? 2 
ATOM   3210 C CA   . TYR   B 1 99  ? -9.076  1.542   5.753   1   24.729  ? 111 TYR   B CA   1 ? 2 
ATOM   3211 C C    . TYR   B 1 99  ? -10.153 0.812   6.613   1   24.43   ? 111 TYR   B C    1 ? 2 
ATOM   3212 O O    . TYR   B 1 99  ? -11.321 1.162   6.582   1   24.695  ? 111 TYR   B O    1 ? 2 
ATOM   3213 C CB   . TYR   B 1 99  ? -9.569  1.772   4.333   1   25.623  ? 111 TYR   B CB   1 ? 2 
ATOM   3214 C CG   . TYR   B 1 99  ? -8.66   2.655   3.486   1   25.551  ? 111 TYR   B CG   1 ? 2 
ATOM   3215 C CD1  . TYR   B 1 99  ? -7.531  2.145   2.895   1   28.062  ? 111 TYR   B CD1  1 ? 2 
ATOM   3216 C CD2  . TYR   B 1 99  ? -8.936  4.012   3.32    1   26.202  ? 111 TYR   B CD2  1 ? 2 
ATOM   3217 C CE1  . TYR   B 1 99  ? -6.696  2.942   2.129   1   29.612  ? 111 TYR   B CE1  1 ? 2 
ATOM   3218 C CE2  . TYR   B 1 99  ? -8.095  4.843   2.592   1   27.553  ? 111 TYR   B CE2  1 ? 2 
ATOM   3219 C CZ   . TYR   B 1 99  ? -6.972  4.292   2.001   1   30.043  ? 111 TYR   B CZ   1 ? 2 
ATOM   3220 O OH   . TYR   B 1 99  ? -6.195  5.09    1.238   1   31.73   ? 111 TYR   B OH   1 ? 2 
ATOM   3221 H H    . TYR   B 1 99  ? -7.743  0.065   5.323   1   25.494  ? 111 TYR   B H    1 c 2 
ATOM   3222 H HA   . TYR   B 1 99  ? -8.934  2.437   6.159   1   25.117  ? 111 TYR   B HA   1 c 2 
ATOM   3223 H HB2  . TYR   B 1 99  ? -9.663  0.898   3.891   1   25.107  ? 111 TYR   B HB2  1 c 2 
ATOM   3224 H HB3  . TYR   B 1 99  ? -10.46  2.184   4.374   1   24.81   ? 111 TYR   B HB3  1 c 2 
ATOM   3225 H HD1  . TYR   B 1 99  ? -7.333  1.227   2.991   1   27.553  ? 111 TYR   B HD1  1 c 2 
ATOM   3226 H HD2  . TYR   B 1 99  ? -9.694  4.383   3.743   1   25.654  ? 111 TYR   B HD2  1 c 2 
ATOM   3227 H HE1  . TYR   B 1 99  ? -5.929  2.575   1.723   1   30.567  ? 111 TYR   B HE1  1 c 2 
ATOM   3228 H HE2  . TYR   B 1 99  ? -8.3    5.755   2.476   1   28.456  ? 111 TYR   B HE2  1 c 2 
ATOM   3229 H HH   . TYR   B 1 99  ? -5.595  4.674   0.878   0   30      ? 111 TYR   B HH   1 c 2 
ATOM   3230 N N    . ALA   B 1 100 ? -9.726  -0.148  7.404   1   24.7    ? 112 ALA   B N    1 ? 2 
ATOM   3231 C CA   . ALA   B 1 100 ? -10.592 -0.886  8.327   1   22.985  ? 112 ALA   B CA   1 ? 2 
ATOM   3232 C C    . ALA   B 1 100 ? -10.006 -0.813  9.736   1   24.48   ? 112 ALA   B C    1 ? 2 
ATOM   3233 O O    . ALA   B 1 100 ? -10.141 0.237   10.376  1   26.405  ? 112 ALA   B O    1 ? 2 
ATOM   3234 C CB   . ALA   B 1 100 ? -10.824 -2.298  7.819   1   24.434  ? 112 ALA   B CB   1 ? 2 
ATOM   3235 H H    . ALA   B 1 100 ? -8.841  -0.369  7.384   1   24.777  ? 112 ALA   B H    1 c 2 
ATOM   3236 H HA   . ALA   B 1 100 ? -11.472 -0.422  8.352   1   23.435  ? 112 ALA   B HA   1 c 2 
ATOM   3237 H HB1  . ALA   B 1 100 ? -11.413 -2.274  7.047   1   23.808  ? 112 ALA   B HB1  1 c 2 
ATOM   3238 H HB2  . ALA   B 1 100 ? -9.976  -2.697  7.562   1   24.389  ? 112 ALA   B HB2  1 c 2 
ATOM   3239 H HB3  . ALA   B 1 100 ? -11.233 -2.835  8.519   1   24.204  ? 112 ALA   B HB3  1 c 2 
ATOM   3240 N N    . TYR   B 1 101 ? -9.359  -1.868  10.244  1   23.681  ? 113 TYR   B N    1 ? 2 
ATOM   3241 C CA   . TYR   B 1 101 ? -8.901  -1.947  11.607  1   26.504  ? 113 TYR   B CA   1 ? 2 
ATOM   3242 C C    . TYR   B 1 101 ? -7.385  -2.042  11.763  1   27.723  ? 113 TYR   B C    1 ? 2 
ATOM   3243 O O    . TYR   B 1 101 ? -6.902  -2.095  12.892  1   29.007  ? 113 TYR   B O    1 ? 2 
ATOM   3244 C CB   . TYR   B 1 101 ? -9.612  -3.084  12.352  1   26.696  ? 113 TYR   B CB   1 ? 2 
ATOM   3245 C CG   . TYR   B 1 101 ? -11.125 -2.914  12.404  1   25.488  ? 113 TYR   B CG   1 ? 2 
ATOM   3246 C CD1  . TYR   B 1 101 ? -11.747 -2.121  13.362  1   26.063  ? 113 TYR   B CD1  1 ? 2 
ATOM   3247 C CD2  . TYR   B 1 101 ? -11.941 -3.502  11.453  1   25.507  ? 113 TYR   B CD2  1 ? 2 
ATOM   3248 C CE1  . TYR   B 1 101 ? -13.118 -1.976  13.437  1   23.999  ? 113 TYR   B CE1  1 ? 2 
ATOM   3249 C CE2  . TYR   B 1 101 ? -13.321 -3.336  11.498  1   25.339  ? 113 TYR   B CE2  1 ? 2 
ATOM   3250 C CZ   . TYR   B 1 101 ? -13.916 -2.535  12.463  1   27.592  ? 113 TYR   B CZ   1 ? 2 
ATOM   3251 O OH   . TYR   B 1 101 ? -15.263 -2.304  12.584  1   25.589  ? 113 TYR   B OH   1 ? 2 
ATOM   3252 H H    . TYR   B 1 101 ? -9.199  -2.583  9.699   1   24.391  ? 113 TYR   B H    1 c 2 
ATOM   3253 H HA   . TYR   B 1 101 ? -9.177  -1.104  12.051  1   26.292  ? 113 TYR   B HA   1 c 2 
ATOM   3254 H HB2  . TYR   B 1 101 ? -9.4    -3.934  11.906  1   26.609  ? 113 TYR   B HB2  1 c 2 
ATOM   3255 H HB3  . TYR   B 1 101 ? -9.263  -3.125  13.27   1   27.564  ? 113 TYR   B HB3  1 c 2 
ATOM   3256 H HD1  . TYR   B 1 101 ? -11.214 -1.714  14.027  1   26.256  ? 113 TYR   B HD1  1 c 2 
ATOM   3257 H HD2  . TYR   B 1 101 ? -11.559 -4.032  10.772  1   25.128  ? 113 TYR   B HD2  1 c 2 
ATOM   3258 H HE1  . TYR   B 1 101 ? -13.499 -1.42   14.095  1   26.064  ? 113 TYR   B HE1  1 c 2 
ATOM   3259 H HE2  . TYR   B 1 101 ? -13.858 -3.738  10.839  1   25.601  ? 113 TYR   B HE2  1 c 2 
ATOM   3260 H HH   . TYR   B 1 101 ? -15.455 -1.852  13.282  0   30      ? 113 TYR   B HH   1 c 2 
ATOM   3261 N N    . GLY   B 1 102 ? -6.652  -1.947  10.647  1   26.606  ? 114 GLY   B N    1 ? 2 
ATOM   3262 C CA   . GLY   B 1 102 ? -5.21   -1.734  10.646  1   29.15   ? 114 GLY   B CA   1 ? 2 
ATOM   3263 C C    . GLY   B 1 102 ? -4.428  -2.9    11.239  1   35.008  ? 114 GLY   B C    1 ? 2 
ATOM   3264 O O    . GLY   B 1 102 ? -4.943  -4.02   11.341  1   31.146  ? 114 GLY   B O    1 ? 2 
ATOM   3265 H H    . GLY   B 1 102 ? -7.072  -2.025  9.84    1   26.343  ? 114 GLY   B H    1 c 2 
ATOM   3266 H HA2  . GLY   B 1 102 ? -4.914  -1.584  9.717   1   29.677  ? 114 GLY   B HA2  1 c 2 
ATOM   3267 H HA3  . GLY   B 1 102 ? -5.012  -0.916  11.159  1   30.3    ? 114 GLY   B HA3  1 c 2 
ATOM   3268 N N    . SER   B 1 103 ? -3.197  -2.595  11.706  1   33.632  ? 115 SER   B N    1 ? 2 
ATOM   3269 C CA   . SER   B 1 103 ? -2.358  -3.625  12.306  1   35.59   ? 115 SER   B CA   1 ? 2 
ATOM   3270 C C    . SER   B 1 103 ? -2.885  -4.058  13.667  1   36.137  ? 115 SER   B C    1 ? 2 
ATOM   3271 O O    . SER   B 1 103 ? -2.753  -5.22   13.979  1   37.26   ? 115 SER   B O    1 ? 2 
ATOM   3272 C CB   . SER   B 1 103 ? -0.904  -3.302  12.357  1   40.282  ? 115 SER   B CB   1 ? 2 
ATOM   3273 O OG   . SER   B 1 103 ? -0.681  -2.098  13.046  1   44.61   ? 115 SER   B OG   1 ? 2 
ATOM   3274 H H    . SER   B 1 103 ? -2.882  -1.739  11.648  1   34.716  ? 115 SER   B H    1 c 2 
ATOM   3275 H HA   . SER   B 1 103 ? -2.441  -4.418  11.72   1   35.645  ? 115 SER   B HA   1 c 2 
ATOM   3276 H HB2  . SER   B 1 103 ? -0.427  -4.026  12.804  1   41.754  ? 115 SER   B HB2  1 c 2 
ATOM   3277 H HB3  . SER   B 1 103 ? -0.559  -3.223  11.449  1   40.383  ? 115 SER   B HB3  1 c 2 
ATOM   3278 H HG   . SER   B 1 103 ? 0.164   -1.946  13.146  0   30      ? 115 SER   B HG   1 c 2 
ATOM   3279 N N    . ALA   B 1 104 ? -3.513  -3.166  14.465  1   34.147  ? 116 ALA   B N    1 ? 2 
ATOM   3280 C CA   . ALA   B 1 104 ? -3.977  -3.539  15.793  1   37.146  ? 116 ALA   B CA   1 ? 2 
ATOM   3281 C C    . ALA   B 1 104 ? -5.197  -4.465  15.735  1   32.809  ? 116 ALA   B C    1 ? 2 
ATOM   3282 O O    . ALA   B 1 104 ? -5.39   -5.291  16.645  1   32.306  ? 116 ALA   B O    1 ? 2 
ATOM   3283 C CB   . ALA   B 1 104 ? -4.287  -2.331  16.643  1   38.568  ? 116 ALA   B CB   1 ? 2 
ATOM   3284 H H    . ALA   B 1 104 ? -3.647  -2.311  14.173  1   34.398  ? 116 ALA   B H    1 c 2 
ATOM   3285 H HA   . ALA   B 1 104 ? -3.241  -4.046  16.234  1   37.926  ? 116 ALA   B HA   1 c 2 
ATOM   3286 H HB1  . ALA   B 1 104 ? -3.488  -1.786  16.74   1   39.419  ? 116 ALA   B HB1  1 c 2 
ATOM   3287 H HB2  . ALA   B 1 104 ? -4.986  -1.805  16.221  1   36.905  ? 116 ALA   B HB2  1 c 2 
ATOM   3288 H HB3  . ALA   B 1 104 ? -4.588  -2.619  17.522  1   39.305  ? 116 ALA   B HB3  1 c 2 
ATOM   3289 N N    . GLY   B 1 105 ? -6.005  -4.331  14.699  1   33.6    ? 117 GLY   B N    1 ? 2 
ATOM   3290 C CA   . GLY   B 1 105 ? -7.203  -5.144  14.638  1   31.166  ? 117 GLY   B CA   1 ? 2 
ATOM   3291 C C    . GLY   B 1 105 ? -8.195  -4.668  15.677  1   32.575  ? 117 GLY   B C    1 ? 2 
ATOM   3292 O O    . GLY   B 1 105 ? -8.042  -3.551  16.196  1   33.32   ? 117 GLY   B O    1 ? 2 
ATOM   3293 H H    . GLY   B 1 105 ? -5.825  -3.735  14.03   1   31.723  ? 117 GLY   B H    1 c 2 
ATOM   3294 H HA2  . GLY   B 1 105 ? -7.602  -5.073  13.741  1   30.558  ? 117 GLY   B HA2  1 c 2 
ATOM   3295 H HA3  . GLY   B 1 105 ? -6.972  -6.089  14.801  1   32.601  ? 117 GLY   B HA3  1 c 2 
ATOM   3296 N N    . SER   B 1 106 ? -9.147  -5.562  16.009  1   29.314  ? 118 SER   B N    1 ? 2 
ATOM   3297 C CA   . SER   B 1 106 ? -10.08  -5.359  17.098  1   29.922  ? 118 SER   B CA   1 ? 2 
ATOM   3298 C C    . SER   B 1 106 ? -10.405 -6.729  17.69   1   34.266  ? 118 SER   B C    1 ? 2 
ATOM   3299 O O    . SER   B 1 106 ? -11.486 -7.268  17.479  1   38.928  ? 118 SER   B O    1 ? 2 
ATOM   3300 C CB   . SER   B 1 106 ? -11.327 -4.597  16.638  1   27.982  ? 118 SER   B CB   1 ? 2 
ATOM   3301 O OG   . SER   B 1 106 ? -12.161 -4.251  17.753  1   27.015  ? 118 SER   B OG   1 ? 2 
ATOM   3302 H H    . SER   B 1 106 ? -9.207  -6.335  15.525  1   29.886  ? 118 SER   B H    1 c 2 
ATOM   3303 H HA   . SER   B 1 106 ? -9.628  -4.821  17.797  1   31.379  ? 118 SER   B HA   1 c 2 
ATOM   3304 H HB2  . SER   B 1 106 ? -11.054 -3.783  16.173  1   26.467  ? 118 SER   B HB2  1 c 2 
ATOM   3305 H HB3  . SER   B 1 106 ? -11.833 -5.15   16.012  1   26.874  ? 118 SER   B HB3  1 c 2 
ATOM   3306 H HG   . SER   B 1 106 ? -12.825 -3.821  17.463  0   30      ? 118 SER   B HG   1 c 2 
ATOM   3307 N N    . LEU   B 1 107 ? -9.459  -7.249  18.466  1   38.519  ? 119 LEU   B N    1 ? 2 
ATOM   3308 C CA   . LEU   B 1 107 ? -9.445  -8.663  18.801  1   43.016  ? 119 LEU   B CA   1 ? 2 
ATOM   3309 C C    . LEU   B 1 107 ? -10.467 -8.994  19.891  1   43.462  ? 119 LEU   B C    1 ? 2 
ATOM   3310 O O    . LEU   B 1 107 ? -10.665 -8.23   20.857  1   44.185  ? 119 LEU   B O    1 ? 2 
ATOM   3311 C CB   . LEU   B 1 107 ? -8.033  -9.081  19.204  1   49.465  ? 119 LEU   B CB   1 ? 2 
ATOM   3312 C CG   . LEU   B 1 107 ? -7.125  -9.548  18.062  1   54.66   ? 119 LEU   B CG   1 ? 2 
ATOM   3313 C CD1  . LEU   B 1 107 ? -6.27   -8.414  17.556  1   52.446  ? 119 LEU   B CD1  1 ? 2 
ATOM   3314 C CD2  . LEU   B 1 107 ? -6.288  -10.709 18.593  1   61.867  ? 119 LEU   B CD2  1 ? 2 
ATOM   3315 H H    . LEU   B 1 107 ? -8.803  -6.707  18.8    1   38.935  ? 119 LEU   B H    1 c 2 
ATOM   3316 H HA   . LEU   B 1 107 ? -9.697  -9.157  17.984  1   41.945  ? 119 LEU   B HA   1 c 2 
ATOM   3317 H HB2  . LEU   B 1 107 ? -7.601  -8.319  19.655  1   49.849  ? 119 LEU   B HB2  1 c 2 
ATOM   3318 H HB3  . LEU   B 1 107 ? -8.105  -9.808  19.864  1   51.506  ? 119 LEU   B HB3  1 c 2 
ATOM   3319 H HG   . LEU   B 1 107 ? -7.692  -9.878  17.318  1   52.714  ? 119 LEU   B HG   1 c 2 
ATOM   3320 H HD11 . LEU   B 1 107 ? -6.839  -7.691  17.243  1   51.241  ? 119 LEU   B HD11 1 c 2 
ATOM   3321 H HD12 . LEU   B 1 107 ? -5.714  -8.728  16.823  1   52.319  ? 119 LEU   B HD12 1 c 2 
ATOM   3322 H HD13 . LEU   B 1 107 ? -5.702  -8.089  18.275  1   54.029  ? 119 LEU   B HD13 1 c 2 
ATOM   3323 H HD21 . LEU   B 1 107 ? -6.872  -11.446 18.841  1   61.291  ? 119 LEU   B HD21 1 c 2 
ATOM   3324 H HD22 . LEU   B 1 107 ? -5.787  -10.418 19.374  1   61.879  ? 119 LEU   B HD22 1 c 2 
ATOM   3325 H HD23 . LEU   B 1 107 ? -5.669  -11.006 17.905  1   60.1    ? 119 LEU   B HD23 1 c 2 
ATOM   3326 N N    . PRO   B 1 108 ? -11.047 -10.216 19.848  1   45.48   ? 120 PRO   B N    1 ? 2 
ATOM   3327 C CA   . PRO   B 1 108 ? -10.741 -11.222 18.829  1   44.155  ? 120 PRO   B CA   1 ? 2 
ATOM   3328 C C    . PRO   B 1 108 ? -11.587 -11.155 17.557  1   43.289  ? 120 PRO   B C    1 ? 2 
ATOM   3329 O O    . PRO   B 1 108 ? -11.311 -11.881 16.612  1   42.705  ? 120 PRO   B O    1 ? 2 
ATOM   3330 C CB   . PRO   B 1 108 ? -11.044 -12.528 19.56   1   47.386  ? 120 PRO   B CB   1 ? 2 
ATOM   3331 C CG   . PRO   B 1 108 ? -12.235 -12.102 20.399  1   50.111  ? 120 PRO   B CG   1 ? 2 
ATOM   3332 C CD   . PRO   B 1 108 ? -11.918 -10.748 20.914  1   47.76   ? 120 PRO   B CD   1 ? 2 
ATOM   3333 H HA   . PRO   B 1 108 ? -9.791  -11.19  18.599  1   44.213  ? 120 PRO   B HA   1 c 2 
ATOM   3334 H HB2  . PRO   B 1 108 ? -11.282 -13.242 18.936  1   47.603  ? 120 PRO   B HB2  1 c 2 
ATOM   3335 H HB3  . PRO   B 1 108 ? -10.293 -12.806 20.12   1   49.15   ? 120 PRO   B HB3  1 c 2 
ATOM   3336 H HG2  . PRO   B 1 108 ? -13.047 -12.078 19.856  1   48.631  ? 120 PRO   B HG2  1 c 2 
ATOM   3337 H HG3  . PRO   B 1 108 ? -12.373 -12.725 21.139  1   51.868  ? 120 PRO   B HG3  1 c 2 
ATOM   3338 H HD2  . PRO   B 1 108 ? -12.722 -10.203 21.014  1   47.995  ? 120 PRO   B HD2  1 c 2 
ATOM   3339 H HD3  . PRO   B 1 108 ? -11.442 -10.789 21.767  1   50.085  ? 120 PRO   B HD3  1 c 2 
ATOM   3340 N N    . LYS   B 1 109 ? -12.593 -10.256 17.502  1   41.641  ? 121 LYS   B N    1 ? 2 
ATOM   3341 C CA   . LYS   B 1 109 ? -13.54  -10.211 16.383  1   44.596  ? 121 LYS   B CA   1 ? 2 
ATOM   3342 C C    . LYS   B 1 109 ? -12.901 -9.854  15.034  1   36.132  ? 121 LYS   B C    1 ? 2 
ATOM   3343 O O    . LYS   B 1 109 ? -13.204 -10.426 13.963  1   37.47   ? 121 LYS   B O    1 ? 2 
ATOM   3344 C CB   . LYS   B 1 109 ? -14.594 -9.165  16.754  1   48.681  ? 121 LYS   B CB   1 ? 2 
ATOM   3345 C CG   . LYS   B 1 109 ? -15.867 -9.093  15.879  1   50.835  ? 121 LYS   B CG   1 ? 2 
ATOM   3346 C CD   . LYS   B 1 109 ? -17.018 -8.45   16.657  1   58.301  ? 121 LYS   B CD   1 ? 2 
ATOM   3347 C CE   . LYS   B 1 109 ? -18.337 -9.143  16.443  1   62.484  ? 121 LYS   B CE   1 ? 2 
ATOM   3348 N NZ   . LYS   B 1 109 ? -19.375 -8.647  17.358  1   63.854  ? 121 LYS   B NZ   1 ? 2 
ATOM   3349 H H    . LYS   B 1 109 ? -12.688 -9.652  18.18   1   43.237  ? 121 LYS   B H    1 c 2 
ATOM   3350 H HA   . LYS   B 1 109 ? -13.976 -11.098 16.306  1   44.339  ? 121 LYS   B HA   1 c 2 
ATOM   3351 H HB2  . LYS   B 1 109 ? -14.872 -9.336  17.679  1   49.99   ? 121 LYS   B HB2  1 c 2 
ATOM   3352 H HB3  . LYS   B 1 109 ? -14.166 -8.283  16.738  1   47.027  ? 121 LYS   B HB3  1 c 2 
ATOM   3353 H HG2  . LYS   B 1 109 ? -15.676 -8.562  15.076  1   49.731  ? 121 LYS   B HG2  1 c 2 
ATOM   3354 H HG3  . LYS   B 1 109 ? -16.12  -10.001 15.603  1   52.427  ? 121 LYS   B HG3  1 c 2 
ATOM   3355 H HD2  . LYS   B 1 109 ? -16.807 -8.457  17.616  1   58.594  ? 121 LYS   B HD2  1 c 2 
ATOM   3356 H HD3  . LYS   B 1 109 ? -17.103 -7.512  16.377  1   56.049  ? 121 LYS   B HD3  1 c 2 
ATOM   3357 H HE2  . LYS   B 1 109 ? -18.631 -9.003  15.526  1   60.591  ? 121 LYS   B HE2  1 c 2 
ATOM   3358 H HE3  . LYS   B 1 109 ? -18.227 -10.101 16.583  1   62.95   ? 121 LYS   B HE3  1 c 2 
ATOM   3359 H HZ1  . LYS   B 1 109 ? -19.534 -7.77   17.196  1   63.052  ? 121 LYS   B HZ1  1 c 2 
ATOM   3360 H HZ2  . LYS   B 1 109 ? -19.101 -8.747  18.216  1   65.281  ? 121 LYS   B HZ2  1 c 2 
ATOM   3361 H HZ3  . LYS   B 1 109 ? -20.14  -9.117  17.235  1   65.377  ? 121 LYS   B HZ3  1 c 2 
ATOM   3362 N N    . ILE   B 1 110 ? -11.963 -8.904  15.056  1   35.117  ? 122 ILE   B N    1 ? 2 
ATOM   3363 C CA   . ILE   B 1 110 ? -11.23  -8.566  13.846  1   32.149  ? 122 ILE   B CA   1 ? 2 
ATOM   3364 C C    . ILE   B 1 110 ? -9.752  -8.803  14.096  1   33.937  ? 122 ILE   B C    1 ? 2 
ATOM   3365 O O    . ILE   B 1 110 ? -9.162  -8.117  14.938  1   31.443  ? 122 ILE   B O    1 ? 2 
ATOM   3366 C CB   . ILE   B 1 110 ? -11.43  -7.092  13.416  1   31.994  ? 122 ILE   B CB   1 ? 2 
ATOM   3367 C CG1  . ILE   B 1 110 ? -12.876 -6.581  13.501  1   32.491  ? 122 ILE   B CG1  1 ? 2 
ATOM   3368 C CG2  . ILE   B 1 110 ? -10.838 -6.869  12.024  1   30.527  ? 122 ILE   B CG2  1 ? 2 
ATOM   3369 C CD1  . ILE   B 1 110 ? -13.841 -7.22   12.539  1   29.697  ? 122 ILE   B CD1  1 ? 2 
ATOM   3370 H H    . ILE   B 1 110 ? -11.78  -8.454  15.831  1   35.369  ? 122 ILE   B H    1 c 2 
ATOM   3371 H HA   . ILE   B 1 110 ? -11.53  -9.141  13.122  1   32.751  ? 122 ILE   B HA   1 c 2 
ATOM   3372 H HB   . ILE   B 1 110 ? -10.909 -6.545  14.035  1   32.003  ? 122 ILE   B HB   1 c 2 
ATOM   3373 H HG12 . ILE   B 1 110 ? -13.205 -6.725  14.412  1   32.846  ? 122 ILE   B HG12 1 c 2 
ATOM   3374 H HG13 . ILE   B 1 110 ? -12.872 -5.615  13.34   1   30.84   ? 122 ILE   B HG13 1 c 2 
ATOM   3375 H HG21 . ILE   B 1 110 ? -11.051 -5.973  11.72   1   29.625  ? 122 ILE   B HG21 1 c 2 
ATOM   3376 H HG22 . ILE   B 1 110 ? -11.213 -7.516  11.403  1   30.577  ? 122 ILE   B HG22 1 c 2 
ATOM   3377 H HG23 . ILE   B 1 110 ? -9.873  -6.976  12.057  1   30.859  ? 122 ILE   B HG23 1 c 2 
ATOM   3378 H HD11 . ILE   B 1 110 ? -13.597 -6.99   11.622  1   29.447  ? 122 ILE   B HD11 1 c 2 
ATOM   3379 H HD12 . ILE   B 1 110 ? -14.741 -6.893  12.726  1   30.656  ? 122 ILE   B HD12 1 c 2 
ATOM   3380 H HD13 . ILE   B 1 110 ? -13.821 -8.19   12.646  1   31.427  ? 122 ILE   B HD13 1 c 2 
ATOM   3381 N N    . PRO   B 1 111 ? -9.099  -9.707  13.321  1   32.585  ? 123 PRO   B N    1 ? 2 
ATOM   3382 C CA   . PRO   B 1 111 ? -7.685  -9.983  13.483  1   30.889  ? 123 PRO   B CA   1 ? 2 
ATOM   3383 C C    . PRO   B 1 111 ? -6.819  -8.82   13.04   1   29.684  ? 123 PRO   B C    1 ? 2 
ATOM   3384 O O    . PRO   B 1 111 ? -7.286  -7.946  12.302  1   28.086  ? 123 PRO   B O    1 ? 2 
ATOM   3385 C CB   . PRO   B 1 111 ? -7.437  -11.179 12.544  1   35.101  ? 123 PRO   B CB   1 ? 2 
ATOM   3386 C CG   . PRO   B 1 111 ? -8.797  -11.74  12.155  1   35.94   ? 123 PRO   B CG   1 ? 2 
ATOM   3387 C CD   . PRO   B 1 111 ? -9.794  -10.628 12.391  1   34.754  ? 123 PRO   B CD   1 ? 2 
ATOM   3388 H HA   . PRO   B 1 111 ? -7.49   -10.22  14.414  1   33.274  ? 123 PRO   B HA   1 c 2 
ATOM   3389 H HB2  . PRO   B 1 111 ? -6.946  -10.896 11.749  1   33.823  ? 123 PRO   B HB2  1 c 2 
ATOM   3390 H HB3  . PRO   B 1 111 ? -6.904  -11.862 12.996  1   36.011  ? 123 PRO   B HB3  1 c 2 
ATOM   3391 H HG2  . PRO   B 1 111 ? -8.802  -12.009 11.215  1   35.482  ? 123 PRO   B HG2  1 c 2 
ATOM   3392 H HG3  . PRO   B 1 111 ? -9.018  -12.518 12.704  1   37.18   ? 123 PRO   B HG3  1 c 2 
ATOM   3393 H HD2  . PRO   B 1 111 ? -10.017 -10.171 11.557  1   32.973  ? 123 PRO   B HD2  1 c 2 
ATOM   3394 H HD3  . PRO   B 1 111 ? -10.612 -10.977 12.795  1   34.799  ? 123 PRO   B HD3  1 c 2 
ATOM   3395 N N    . SER   B 1 112 ? -5.546  -8.882  13.403  1   32.792  ? 124 SER   B N    1 ? 2 
ATOM   3396 C CA   . SER   B 1 112 ? -4.544  -7.951  12.887  1   37.383  ? 124 SER   B CA   1 ? 2 
ATOM   3397 C C    . SER   B 1 112 ? -4.536  -7.991  11.36   1   35.022  ? 124 SER   B C    1 ? 2 
ATOM   3398 O O    . SER   B 1 112 ? -4.596  -9.082  10.816  1   31.871  ? 124 SER   B O    1 ? 2 
ATOM   3399 C CB   . SER   B 1 112 ? -3.232  -8.339  13.468  1   42.425  ? 124 SER   B CB   1 ? 2 
ATOM   3400 O OG   . SER   B 1 112 ? -2.204  -7.494  12.996  1   57.767  ? 124 SER   B OG   1 ? 2 
ATOM   3401 H H    . SER   B 1 112 ? -5.283  -9.526  13.996  1   34.818  ? 124 SER   B H    1 c 2 
ATOM   3402 H HA   . SER   B 1 112 ? -4.774  -7.035  13.186  1   35.925  ? 124 SER   B HA   1 c 2 
ATOM   3403 H HB2  . SER   B 1 112 ? -3.279  -8.28   14.441  1   45.529  ? 124 SER   B HB2  1 c 2 
ATOM   3404 H HB3  . SER   B 1 112 ? -3.031  -9.263  13.226  1   45.424  ? 124 SER   B HB3  1 c 2 
ATOM   3405 H HG   . SER   B 1 112 ? -1.512  -7.637  13.302  0   30      ? 124 SER   B HG   1 c 2 
ATOM   3406 N N    . ASN   B 1 113 ? -4.481  -6.825  10.687  1   31.796  ? 125 ASN   B N    1 ? 2 
ATOM   3407 C CA   . ASN   B 1 113 ? -4.183  -6.732  9.274   1   33.551  ? 125 ASN   B CA   1 ? 2 
ATOM   3408 C C    . ASN   B 1 113 ? -5.264  -7.452  8.445   1   33.341  ? 125 ASN   B C    1 ? 2 
ATOM   3409 O O    . ASN   B 1 113 ? -4.929  -8.07   7.426   1   33.046  ? 125 ASN   B O    1 ? 2 
ATOM   3410 C CB   . ASN   B 1 113 ? -2.774  -7.26   9.023   1   36.395  ? 125 ASN   B CB   1 ? 2 
ATOM   3411 C CG   . ASN   B 1 113 ? -1.672  -6.492  9.722   1   33.349  ? 125 ASN   B CG   1 ? 2 
ATOM   3412 O OD1  . ASN   B 1 113 ? -0.763  -7.084  10.33   1   38.525  ? 125 ASN   B OD1  1 ? 2 
ATOM   3413 N ND2  . ASN   B 1 113 ? -1.65   -5.203  9.508   1   32.987  ? 125 ASN   B ND2  1 ? 2 
ATOM   3414 H H    . ASN   B 1 113 ? -4.64   -6.05   11.145  1   32.367  ? 125 ASN   B H    1 c 2 
ATOM   3415 H HA   . ASN   B 1 113 ? -4.192  -5.781  9.024   1   32.723  ? 125 ASN   B HA   1 c 2 
ATOM   3416 H HB2  . ASN   B 1 113 ? -2.731  -8.194  9.307   1   35.916  ? 125 ASN   B HB2  1 c 2 
ATOM   3417 H HB3  . ASN   B 1 113 ? -2.6    -7.238  8.061   1   35.176  ? 125 ASN   B HB3  1 c 2 
ATOM   3418 H HD21 . ASN   B 1 113 ? -1.012  -4.711  9.875   1   34.003  ? 125 ASN   B HD21 1 c 2 
ATOM   3419 H HD22 . ASN   B 1 113 ? -2.255  -4.818  8.987   1   31.772  ? 125 ASN   B HD22 1 c 2 
ATOM   3420 N N    . ALA   B 1 114 ? -6.532  -7.386  8.9     1   30.653  ? 126 ALA   B N    1 ? 2 
ATOM   3421 C CA   . ALA   B 1 114 ? -7.622  -8.067  8.23    1   32.122  ? 126 ALA   B CA   1 ? 2 
ATOM   3422 C C    . ALA   B 1 114 ? -8.124  -7.282  7.02    1   30.364  ? 126 ALA   B C    1 ? 2 
ATOM   3423 O O    . ALA   B 1 114 ? -8.338  -6.085  7.075   1   27.539  ? 126 ALA   B O    1 ? 2 
ATOM   3424 C CB   . ALA   B 1 114 ? -8.737  -8.297  9.207   1   33.412  ? 126 ALA   B CB   1 ? 2 
ATOM   3425 H H    . ALA   B 1 114 ? -6.716  -6.891  9.646   1   31.177  ? 126 ALA   B H    1 c 2 
ATOM   3426 H HA   . ALA   B 1 114 ? -7.287  -8.95   7.911   1   32.814  ? 126 ALA   B HA   1 c 2 
ATOM   3427 H HB1  . ALA   B 1 114 ? -8.422  -8.854  9.938   1   33.901  ? 126 ALA   B HB1  1 c 2 
ATOM   3428 H HB2  . ALA   B 1 114 ? -9.042  -7.445  9.562   1   32.208  ? 126 ALA   B HB2  1 c 2 
ATOM   3429 H HB3  . ALA   B 1 114 ? -9.477  -8.742  8.761   1   32.956  ? 126 ALA   B HB3  1 c 2 
ATOM   3430 N N    . THR   B 1 115 ? -8.42   -7.99   5.917   1   28.343  ? 127 THR   B N    1 ? 2 
ATOM   3431 C CA   . THR   B 1 115 ? -9.189  -7.434  4.807   1   26.443  ? 127 THR   B CA   1 ? 2 
ATOM   3432 C C    . THR   B 1 115 ? -10.659 -7.786  5.042   1   25.52   ? 127 THR   B C    1 ? 2 
ATOM   3433 O O    . THR   B 1 115 ? -10.947 -8.909  5.409   1   27.948  ? 127 THR   B O    1 ? 2 
ATOM   3434 C CB   . THR   B 1 115 ? -8.703  -8.132  3.533   1   27.184  ? 127 THR   B CB   1 ? 2 
ATOM   3435 O OG1  . THR   B 1 115 ? -7.419  -7.634  3.158   1   28.714  ? 127 THR   B OG1  1 ? 2 
ATOM   3436 C CG2  . THR   B 1 115 ? -9.521  -7.75   2.332   1   29.925  ? 127 THR   B CG2  1 ? 2 
ATOM   3437 H H    . THR   B 1 115 ? -8.13   -8.855  5.857   1   29.585  ? 127 THR   B H    1 c 2 
ATOM   3438 H HA   . THR   B 1 115 ? -9.06   -6.465  4.746   1   25.824  ? 127 THR   B HA   1 c 2 
ATOM   3439 H HB   . THR   B 1 115 ? -8.672  -9.112  3.643   1   28.877  ? 127 THR   B HB   1 c 2 
ATOM   3440 H HG1  . THR   B 1 115 ? -7.484  -6.78   3.096   0   30      ? 127 THR   B HG1  1 c 2 
ATOM   3441 H HG21 . THR   B 1 115 ? -9.153  -8.176  1.54    1   30.231  ? 127 THR   B HG21 1 c 2 
ATOM   3442 H HG22 . THR   B 1 115 ? -9.5    -6.786  2.217   1   28.367  ? 127 THR   B HG22 1 c 2 
ATOM   3443 H HG23 . THR   B 1 115 ? -10.44  -8.041  2.455   1   28.944  ? 127 THR   B HG23 1 c 2 
ATOM   3444 N N    . LEU   B 1 116 ? -11.587 -6.889  4.705   1   26.53   ? 128 LEU   B N    1 ? 2 
ATOM   3445 C CA   . LEU   B 1 116 ? -13.026 -7.069  4.914   1   26.038  ? 128 LEU   B CA   1 ? 2 
ATOM   3446 C C    . LEU   B 1 116 ? -13.768 -6.909  3.604   1   25.611  ? 128 LEU   B C    1 ? 2 
ATOM   3447 O O    . LEU   B 1 116 ? -13.352 -6.106  2.734   1   28.323  ? 128 LEU   B O    1 ? 2 
ATOM   3448 C CB   . LEU   B 1 116 ? -13.614 -5.992  5.861   1   25.853  ? 128 LEU   B CB   1 ? 2 
ATOM   3449 C CG   . LEU   B 1 116 ? -12.974 -5.789  7.234   1   30.375  ? 128 LEU   B CG   1 ? 2 
ATOM   3450 C CD1  . LEU   B 1 116 ? -13.968 -5.044  8.175   1   30.707  ? 128 LEU   B CD1  1 ? 2 
ATOM   3451 C CD2  . LEU   B 1 116 ? -12.388 -6.961  7.824   1   29.344  ? 128 LEU   B CD2  1 ? 2 
ATOM   3452 H H    . LEU   B 1 116 ? -11.308 -6.11   4.315   1   25.515  ? 128 LEU   B H    1 c 2 
ATOM   3453 H HA   . LEU   B 1 116 ? -13.194 -7.972  5.285   1   26.87   ? 128 LEU   B HA   1 c 2 
ATOM   3454 H HB2  . LEU   B 1 116 ? -13.591 -5.129  5.387   1   26.15   ? 128 LEU   B HB2  1 c 2 
ATOM   3455 H HB3  . LEU   B 1 116 ? -14.567 -6.202  5.999   1   27.122  ? 128 LEU   B HB3  1 c 2 
ATOM   3456 H HG   . LEU   B 1 116 ? -12.219 -5.16   7.098   1   28.634  ? 128 LEU   B HG   1 c 2 
ATOM   3457 H HD11 . LEU   B 1 116 ? -14.199 -4.183  7.788   1   30.03   ? 128 LEU   B HD11 1 c 2 
ATOM   3458 H HD12 . LEU   B 1 116 ? -13.553 -4.908  9.042   1   30.552  ? 128 LEU   B HD12 1 c 2 
ATOM   3459 H HD13 . LEU   B 1 116 ? -14.775 -5.576  8.283   1   31.158  ? 128 LEU   B HD13 1 c 2 
ATOM   3460 H HD21 . LEU   B 1 116 ? -11.541 -7.154  7.393   1   29.941  ? 128 LEU   B HD21 1 c 2 
ATOM   3461 H HD22 . LEU   B 1 116 ? -12.989 -7.715  7.709   1   30.62   ? 128 LEU   B HD22 1 c 2 
ATOM   3462 H HD23 . LEU   B 1 116 ? -12.239 -6.808  8.773   1   29.99   ? 128 LEU   B HD23 1 c 2 
ATOM   3463 N N    . PHE   B 1 117 ? -14.935 -7.565  3.526   1   26.394  ? 129 PHE   B N    1 ? 2 
ATOM   3464 C CA   . PHE   B 1 117 ? -15.862 -7.396  2.431   1   28.367  ? 129 PHE   B CA   1 ? 2 
ATOM   3465 C C    . PHE   B 1 117 ? -17.227 -7.017  2.944   1   30.7    ? 129 PHE   B C    1 ? 2 
ATOM   3466 O O    . PHE   B 1 117 ? -17.708 -7.598  3.919   1   30.301  ? 129 PHE   B O    1 ? 2 
ATOM   3467 C CB   . PHE   B 1 117 ? -15.9   -8.684  1.618   1   29.602  ? 129 PHE   B CB   1 ? 2 
ATOM   3468 C CG   . PHE   B 1 117 ? -16.991 -8.692  0.545   1   34.746  ? 129 PHE   B CG   1 ? 2 
ATOM   3469 C CD1  . PHE   B 1 117 ? -18.3   -9.03   0.828   1   39.8    ? 129 PHE   B CD1  1 ? 2 
ATOM   3470 C CD2  . PHE   B 1 117 ? -16.694 -8.314  -0.761  1   38.082  ? 129 PHE   B CD2  1 ? 2 
ATOM   3471 C CE1  . PHE   B 1 117 ? -19.275 -9.007  -0.161  1   42.952  ? 129 PHE   B CE1  1 ? 2 
ATOM   3472 C CE2  . PHE   B 1 117 ? -17.679 -8.299  -1.75   1   37.893  ? 129 PHE   B CE2  1 ? 2 
ATOM   3473 C CZ   . PHE   B 1 117 ? -18.963 -8.599  -1.43   1   40.715  ? 129 PHE   B CZ   1 ? 2 
ATOM   3474 H H    . PHE   B 1 117 ? -15.158 -8.145  4.196   1   27.084  ? 129 PHE   B H    1 c 2 
ATOM   3475 H HA   . PHE   B 1 117 ? -15.53  -6.667  1.846   1   27.977  ? 129 PHE   B HA   1 c 2 
ATOM   3476 H HB2  . PHE   B 1 117 ? -15.026 -8.81   1.187   1   30.556  ? 129 PHE   B HB2  1 c 2 
ATOM   3477 H HB3  . PHE   B 1 117 ? -16.049 -9.438  2.232   1   31.025  ? 129 PHE   B HB3  1 c 2 
ATOM   3478 H HD1  . PHE   B 1 117 ? -18.535 -9.28   1.708   1   38.851  ? 129 PHE   B HD1  1 c 2 
ATOM   3479 H HD2  . PHE   B 1 117 ? -15.81  -8.071  -0.983  1   36.423  ? 129 PHE   B HD2  1 c 2 
ATOM   3480 H HE1  . PHE   B 1 117 ? -20.165 -9.233  0.053   1   42.955  ? 129 PHE   B HE1  1 c 2 
ATOM   3481 H HE2  . PHE   B 1 117 ? -17.461 -8.032  -2.628  1   39.497  ? 129 PHE   B HE2  1 c 2 
ATOM   3482 H HZ   . PHE   B 1 117 ? -19.624 -8.613  -2.102  1   42.422  ? 129 PHE   B HZ   1 c 2 
ATOM   3483 N N    . PHE   B 1 118 ? -17.917 -6.144  2.204   1   28.798  ? 130 PHE   B N    1 ? 2 
ATOM   3484 C CA   . PHE   B 1 118 ? -19.27  -5.773  2.547   1   30.148  ? 130 PHE   B CA   1 ? 2 
ATOM   3485 C C    . PHE   B 1 118 ? -20.159 -5.647  1.331   1   34.609  ? 130 PHE   B C    1 ? 2 
ATOM   3486 O O    . PHE   B 1 118 ? -19.705 -5.224  0.294   1   36.411  ? 130 PHE   B O    1 ? 2 
ATOM   3487 C CB   . PHE   B 1 118 ? -19.485 -4.438  3.273   1   26.902  ? 130 PHE   B CB   1 ? 2 
ATOM   3488 C CG   . PHE   B 1 118 ? -18.832 -4.337  4.638   1   25.805  ? 130 PHE   B CG   1 ? 2 
ATOM   3489 C CD1  . PHE   B 1 118 ? -17.491 -3.988  4.743   1   24.89   ? 130 PHE   B CD1  1 ? 2 
ATOM   3490 C CD2  . PHE   B 1 118 ? -19.577 -4.533  5.791   1   30.064  ? 130 PHE   B CD2  1 ? 2 
ATOM   3491 C CE1  . PHE   B 1 118 ? -16.888 -3.819  5.977   1   25.78   ? 130 PHE   B CE1  1 ? 2 
ATOM   3492 C CE2  . PHE   B 1 118 ? -18.989 -4.337  7.009   1   28.905  ? 130 PHE   B CE2  1 ? 2 
ATOM   3493 C CZ   . PHE   B 1 118 ? -17.641 -4.044  7.099   1   25.95   ? 130 PHE   B CZ   1 ? 2 
ATOM   3494 H H    . PHE   B 1 118 ? -17.531 -5.772  1.463   1   29.344  ? 130 PHE   B H    1 c 2 
ATOM   3495 H HA   . PHE   B 1 118 ? -19.64  -6.49   3.122   1   30.874  ? 130 PHE   B HA   1 c 2 
ATOM   3496 H HB2  . PHE   B 1 118 ? -19.136 -3.717  2.703   1   26.902  ? 130 PHE   B HB2  1 c 2 
ATOM   3497 H HB3  . PHE   B 1 118 ? -20.452 -4.293  3.376   1   28.368  ? 130 PHE   B HB3  1 c 2 
ATOM   3498 H HD1  . PHE   B 1 118 ? -16.988 -3.847  3.957   1   25.037  ? 130 PHE   B HD1  1 c 2 
ATOM   3499 H HD2  . PHE   B 1 118 ? -20.497 -4.735  5.732   1   30.226  ? 130 PHE   B HD2  1 c 2 
ATOM   3500 H HE1  . PHE   B 1 118 ? -15.97  -3.608  6.043   1   24.619  ? 130 PHE   B HE1  1 c 2 
ATOM   3501 H HE2  . PHE   B 1 118 ? -19.485 -4.497  7.796   1   29.305  ? 130 PHE   B HE2  1 c 2 
ATOM   3502 H HZ   . PHE   B 1 118 ? -17.246 -3.94   7.95    1   26.18   ? 130 PHE   B HZ   1 c 2 
ATOM   3503 N N    . GLU   B 1 119 ? -21.424 -6.068  1.498   1   36.606  ? 131 GLU   B N    1 ? 2 
ATOM   3504 C CA   . GLU   B 1 119 ? -22.493 -5.652  0.621   1   38.712  ? 131 GLU   B CA   1 ? 2 
ATOM   3505 C C    . GLU   B 1 119 ? -23.32  -4.634  1.383   1   39.332  ? 131 GLU   B C    1 ? 2 
ATOM   3506 O O    . GLU   B 1 119 ? -23.729 -4.946  2.49    1   44.327  ? 131 GLU   B O    1 ? 2 
ATOM   3507 C CB   . GLU   B 1 119 ? -23.3   -6.903  0.236   1   43.78   ? 131 GLU   B CB   1 ? 2 
ATOM   3508 C CG   . GLU   B 1 119 ? -24.538 -6.656  -0.622  1   50.692  ? 131 GLU   B CG   1 ? 2 
ATOM   3509 C CD   . GLU   B 1 119 ? -25.178 -7.988  -1.02   1   53.346  ? 131 GLU   B CD   1 ? 2 
ATOM   3510 O OE1  . GLU   B 1 119 ? -24.818 -8.687  -2.013  1   53.07   ? 131 GLU   B OE1  1 ? 2 
ATOM   3511 O OE2  . GLU   B 1 119 ? -26.045 -8.39   -0.21   1   56.327  ? 131 GLU   B OE2  1 ? 2 
ATOM   3512 H H    . GLU   B 1 119 ? -21.62  -6.634  2.188   1   36.94   ? 131 GLU   B H    1 c 2 
ATOM   3513 H HA   . GLU   B 1 119 ? -22.107 -5.232  -0.186  1   38.971  ? 131 GLU   B HA   1 c 2 
ATOM   3514 H HB2  . GLU   B 1 119 ? -22.709 -7.517  -0.249  1   44.339  ? 131 GLU   B HB2  1 c 2 
ATOM   3515 H HB3  . GLU   B 1 119 ? -23.585 -7.355  1.057   1   44.379  ? 131 GLU   B HB3  1 c 2 
ATOM   3516 H HG2  . GLU   B 1 119 ? -25.189 -6.123  -0.119  1   49.699  ? 131 GLU   B HG2  1 c 2 
ATOM   3517 H HG3  . GLU   B 1 119 ? -24.287 -6.163  -1.432  1   49.395  ? 131 GLU   B HG3  1 c 2 
ATOM   3518 N N    . ILE   B 1 120 ? -23.603 -3.463  0.784   1   37.626  ? 132 ILE   B N    1 ? 2 
ATOM   3519 C CA   . ILE   B 1 120 ? -24.313 -2.388  1.465   1   38.288  ? 132 ILE   B CA   1 ? 2 
ATOM   3520 C C    . ILE   B 1 120 ? -25.467 -1.931  0.572   1   38.929  ? 132 ILE   B C    1 ? 2 
ATOM   3521 O O    . ILE   B 1 120 ? -25.301 -1.722  -0.604  1   38.517  ? 132 ILE   B O    1 ? 2 
ATOM   3522 C CB   . ILE   B 1 120 ? -23.388 -1.183  1.783   1   37.147  ? 132 ILE   B CB   1 ? 2 
ATOM   3523 C CG1  . ILE   B 1 120 ? -22.102 -1.608  2.524   1   35.821  ? 132 ILE   B CG1  1 ? 2 
ATOM   3524 C CG2  . ILE   B 1 120 ? -24.185 -0.122  2.552   1   41.2    ? 132 ILE   B CG2  1 ? 2 
ATOM   3525 C CD1  . ILE   B 1 120 ? -21.074 -0.498  2.746   1   32.573  ? 132 ILE   B CD1  1 ? 2 
ATOM   3526 H H    . ILE   B 1 120 ? -23.343 -3.334  -0.083  1   38.451  ? 132 ILE   B H    1 c 2 
ATOM   3527 H HA   . ILE   B 1 120 ? -24.677 -2.731  2.303   1   38.402  ? 132 ILE   B HA   1 c 2 
ATOM   3528 H HB   . ILE   B 1 120 ? -23.117 -0.789  0.93    1   37.759  ? 132 ILE   B HB   1 c 2 
ATOM   3529 H HG12 . ILE   B 1 120 ? -22.355 -1.975  3.396   1   35.364  ? 132 ILE   B HG12 1 c 2 
ATOM   3530 H HG13 . ILE   B 1 120 ? -21.673 -2.326  2.015   1   35.318  ? 132 ILE   B HG13 1 c 2 
ATOM   3531 H HG21 . ILE   B 1 120 ? -23.601 0.615   2.793   1   38.835  ? 132 ILE   B HG21 1 c 2 
ATOM   3532 H HG22 . ILE   B 1 120 ? -24.556 -0.516  3.36    1   40.441  ? 132 ILE   B HG22 1 c 2 
ATOM   3533 H HG23 . ILE   B 1 120 ? -24.908 0.212   1.996   1   41.532  ? 132 ILE   B HG23 1 c 2 
ATOM   3534 H HD11 . ILE   B 1 120 ? -20.842 -0.093  1.889   1   33.151  ? 132 ILE   B HD11 1 c 2 
ATOM   3535 H HD12 . ILE   B 1 120 ? -20.272 -0.875  3.154   1   31.974  ? 132 ILE   B HD12 1 c 2 
ATOM   3536 H HD13 . ILE   B 1 120 ? -21.446 0.185   3.336   1   33.054  ? 132 ILE   B HD13 1 c 2 
ATOM   3537 N N    . GLU   B 1 121 ? -26.622 -1.707  1.191   1   47.158  ? 133 GLU   B N    1 ? 2 
ATOM   3538 C CA   . GLU   B 1 121 ? -27.755 -1.075  0.557   1   48.35   ? 133 GLU   B CA   1 ? 2 
ATOM   3539 C C    . GLU   B 1 121 ? -28.072 0.245   1.238   1   48.929  ? 133 GLU   B C    1 ? 2 
ATOM   3540 O O    . GLU   B 1 121 ? -28.386 0.288   2.436   1   52.182  ? 133 GLU   B O    1 ? 2 
ATOM   3541 C CB   . GLU   B 1 121 ? -28.953 -2.031  0.695   1   51.981  ? 133 GLU   B CB   1 ? 2 
ATOM   3542 C CG   . GLU   B 1 121 ? -30.191 -1.513  -0.023  1   55.795  ? 133 GLU   B CG   1 ? 2 
ATOM   3543 C CD   . GLU   B 1 121 ? -31.396 -2.421  0.073   1   60.648  ? 133 GLU   B CD   1 ? 2 
ATOM   3544 O OE1  . GLU   B 1 121 ? -31.301 -3.599  0.498   1   58.538  ? 133 GLU   B OE1  1 ? 2 
ATOM   3545 O OE2  . GLU   B 1 121 ? -32.449 -1.88   -0.305  1   61.682  ? 133 GLU   B OE2  1 ? 2 
ATOM   3546 H H    . GLU   B 1 121 ? -26.708 -1.967  2.063   1   44.793  ? 133 GLU   B H    1 c 2 
ATOM   3547 H HA   . GLU   B 1 121 ? -27.551 -0.923  -0.397  1   49.204  ? 133 GLU   B HA   1 c 2 
ATOM   3548 H HB2  . GLU   B 1 121 ? -28.705 -2.906  0.33    1   52.242  ? 133 GLU   B HB2  1 c 2 
ATOM   3549 H HB3  . GLU   B 1 121 ? -29.157 -2.151  1.646   1   51.873  ? 133 GLU   B HB3  1 c 2 
ATOM   3550 H HG2  . GLU   B 1 121 ? -30.434 -0.639  0.348   1   55.829  ? 133 GLU   B HG2  1 c 2 
ATOM   3551 H HG3  . GLU   B 1 121 ? -29.977 -1.381  -0.971  1   56.246  ? 133 GLU   B HG3  1 c 2 
ATOM   3552 N N    . LEU   B 1 122 ? -28.016 1.316   0.443   1   55.038  ? 134 LEU   B N    1 ? 2 
ATOM   3553 C CA   . LEU   B 1 122 ? -28.319 2.631   0.956   1   56.278  ? 134 LEU   B CA   1 ? 2 
ATOM   3554 C C    . LEU   B 1 122 ? -29.817 2.82    0.847   1   57.423  ? 134 LEU   B C    1 ? 2 
ATOM   3555 O O    . LEU   B 1 122 ? -30.342 2.915   -0.246  1   59.384  ? 134 LEU   B O    1 ? 2 
ATOM   3556 C CB   . LEU   B 1 122 ? -27.555 3.704   0.182   1   57.16   ? 134 LEU   B CB   1 ? 2 
ATOM   3557 C CG   . LEU   B 1 122 ? -27.677 5.11    0.761   1   53.415  ? 134 LEU   B CG   1 ? 2 
ATOM   3558 C CD1  . LEU   B 1 122 ? -27.314 5.16    2.233   1   51.029  ? 134 LEU   B CD1  1 ? 2 
ATOM   3559 C CD2  . LEU   B 1 122 ? -26.813 5.972   -0.077  1   52.008  ? 134 LEU   B CD2  1 ? 2 
ATOM   3560 H H    . LEU   B 1 122 ? -27.785 1.223   -0.436  1   53.975  ? 134 LEU   B H    1 c 2 
ATOM   3561 H HA   . LEU   B 1 122 ? -28.054 2.663   1.908   1   54.622  ? 134 LEU   B HA   1 c 2 
ATOM   3562 H HB2  . LEU   B 1 122 ? -26.602 3.454   0.166   1   53.863  ? 134 LEU   B HB2  1 c 2 
ATOM   3563 H HB3  . LEU   B 1 122 ? -27.887 3.715   -0.745  1   57.315  ? 134 LEU   B HB3  1 c 2 
ATOM   3564 H HG   . LEU   B 1 122 ? -28.616 5.413   0.657   1   55.99   ? 134 LEU   B HG   1 c 2 
ATOM   3565 H HD11 . LEU   B 1 122 ? -28.006 4.721   2.756   1   52.316  ? 134 LEU   B HD11 1 c 2 
ATOM   3566 H HD12 . LEU   B 1 122 ? -27.238 6.087   2.514   1   51.239  ? 134 LEU   B HD12 1 c 2 
ATOM   3567 H HD13 . LEU   B 1 122 ? -26.465 4.709   2.374   1   49.355  ? 134 LEU   B HD13 1 c 2 
ATOM   3568 H HD21 . LEU   B 1 122 ? -27.009 5.82    -1.017  1   53.418  ? 134 LEU   B HD21 1 c 2 
ATOM   3569 H HD22 . LEU   B 1 122 ? -25.882 5.762   0.098   1   50.196  ? 134 LEU   B HD22 1 c 2 
ATOM   3570 H HD23 . LEU   B 1 122 ? -26.978 6.905   0.14    1   52.756  ? 134 LEU   B HD23 1 c 2 
ATOM   3571 N N    . LEU   B 1 123 ? -30.467 2.913   2.005   1   59.857  ? 135 LEU   B N    1 ? 2 
ATOM   3572 C CA   . LEU   B 1 123 ? -31.919 3.004   2.08    1   65.267  ? 135 LEU   B CA   1 ? 2 
ATOM   3573 C C    . LEU   B 1 123 ? -32.335 4.474   1.931   1   70.564  ? 135 LEU   B C    1 ? 2 
ATOM   3574 O O    . LEU   B 1 123 ? -33.166 4.817   1.084   1   68.173  ? 135 LEU   B O    1 ? 2 
ATOM   3575 C CB   . LEU   B 1 123 ? -32.371 2.372   3.399   1   64.438  ? 135 LEU   B CB   1 ? 2 
ATOM   3576 C CG   . LEU   B 1 123 ? -31.934 0.914   3.649   1   64.26   ? 135 LEU   B CG   1 ? 2 
ATOM   3577 C CD1  . LEU   B 1 123 ? -32.215 0.41    5.068   1   61.862  ? 135 LEU   B CD1  1 ? 2 
ATOM   3578 C CD2  . LEU   B 1 123 ? -32.569 -0.021  2.656   1   66.003  ? 135 LEU   B CD2  1 ? 2 
ATOM   3579 H H    . LEU   B 1 123 ? -29.989 2.924   2.785   1   58.253  ? 135 LEU   B H    1 c 2 
ATOM   3580 H HA   . LEU   B 1 123 ? -32.304 2.49    1.325   1   66.839  ? 135 LEU   B HA   1 c 2 
ATOM   3581 H HB2  . LEU   B 1 123 ? -32.031 2.928   4.138   1   63.69   ? 135 LEU   B HB2  1 c 2 
ATOM   3582 H HB3  . LEU   B 1 123 ? -33.355 2.41    3.434   1   67.826  ? 135 LEU   B HB3  1 c 2 
ATOM   3583 H HG   . LEU   B 1 123 ? -30.953 0.866   3.512   1   60.734  ? 135 LEU   B HG   1 c 2 
ATOM   3584 H HD11 . LEU   B 1 123 ? -31.775 0.99    5.712   1   61.298  ? 135 LEU   B HD11 1 c 2 
ATOM   3585 H HD12 . LEU   B 1 123 ? -31.874 -0.495  5.165   1   62.142  ? 135 LEU   B HD12 1 c 2 
ATOM   3586 H HD13 . LEU   B 1 123 ? -33.173 0.413   5.232   1   65.556  ? 135 LEU   B HD13 1 c 2 
ATOM   3587 H HD21 . LEU   B 1 123 ? -32.233 0.171   1.765   1   65.653  ? 135 LEU   B HD21 1 c 2 
ATOM   3588 H HD22 . LEU   B 1 123 ? -33.531 0.102   2.67    1   69.046  ? 135 LEU   B HD22 1 c 2 
ATOM   3589 H HD23 . LEU   B 1 123 ? -32.357 -0.941  2.89    1   65.907  ? 135 LEU   B HD23 1 c 2 
ATOM   3590 N N    . ASP   B 1 124 ? -31.701 5.358   2.72    1   69.727  ? 136 ASP   B N    1 ? 2 
ATOM   3591 C CA   . ASP   B 1 124 ? -32.065 6.769   2.739   1   71.137  ? 136 ASP   B CA   1 ? 2 
ATOM   3592 C C    . ASP   B 1 124 ? -30.961 7.561   3.443   1   67.693  ? 136 ASP   B C    1 ? 2 
ATOM   3593 O O    . ASP   B 1 124 ? -30.092 6.961   4.093   1   57.879  ? 136 ASP   B O    1 ? 2 
ATOM   3594 C CB   . ASP   B 1 124 ? -33.385 6.991   3.464   1   73.238  ? 136 ASP   B CB   1 ? 2 
ATOM   3595 C CG   . ASP   B 1 124 ? -34.181 8.237   3.083   1   79.152  ? 136 ASP   B CG   1 ? 2 
ATOM   3596 O OD1  . ASP   B 1 124 ? -33.742 8.973   2.179   1   83.69   ? 136 ASP   B OD1  1 ? 2 
ATOM   3597 O OD2  . ASP   B 1 124 ? -35.254 8.464   3.684   1   81.246  ? 136 ASP   B OD2  1 ? 2 
ATOM   3598 H H    . ASP   B 1 124 ? -31.028 5.07    3.267   1   67.31   ? 136 ASP   B H    1 c 2 
ATOM   3599 H HA   . ASP   B 1 124 ? -32.143 7.085   1.811   1   71.543  ? 136 ASP   B HA   1 c 2 
ATOM   3600 H HB2  . ASP   B 1 124 ? -33.963 6.215   3.308   1   75.68   ? 136 ASP   B HB2  1 c 2 
ATOM   3601 H HB3  . ASP   B 1 124 ? -33.209 7.035   4.427   1   73.497  ? 136 ASP   B HB3  1 c 2 
ATOM   3602 N N    . PHE   B 1 125 ? -31.039 8.9     3.33    1   67.896  ? 137 PHE   B N    1 ? 2 
ATOM   3603 C CA   . PHE   B 1 125 ? -30.217 9.777   4.144   1   68.077  ? 137 PHE   B CA   1 ? 2 
ATOM   3604 C C    . PHE   B 1 125 ? -30.852 11.153  4.296   1   69.144  ? 137 PHE   B C    1 ? 2 
ATOM   3605 O O    . PHE   B 1 125 ? -31.524 11.644  3.397   1   73.465  ? 137 PHE   B O    1 ? 2 
ATOM   3606 C CB   . PHE   B 1 125 ? -28.822 9.849   3.532   1   66.689  ? 137 PHE   B CB   1 ? 2 
ATOM   3607 C CG   . PHE   B 1 125 ? -28.766 10.275  2.075   1   63.469  ? 137 PHE   B CG   1 ? 2 
ATOM   3608 C CD1  . PHE   B 1 125 ? -28.675 11.619  1.734   1   65.912  ? 137 PHE   B CD1  1 ? 2 
ATOM   3609 C CD2  . PHE   B 1 125 ? -28.763 9.336   1.059   1   58.468  ? 137 PHE   B CD2  1 ? 2 
ATOM   3610 C CE1  . PHE   B 1 125 ? -28.602 12.006  0.405   1   68.442  ? 137 PHE   B CE1  1 ? 2 
ATOM   3611 C CE2  . PHE   B 1 125 ? -28.679 9.726   -0.261  1   61.882  ? 137 PHE   B CE2  1 ? 2 
ATOM   3612 C CZ   . PHE   B 1 125 ? -28.598 11.06   -0.587  1   67.066  ? 137 PHE   B CZ   1 ? 2 
ATOM   3613 H H    . PHE   B 1 125 ? -31.615 9.269   2.723   1   70.457  ? 137 PHE   B H    1 c 2 
ATOM   3614 H HA   . PHE   B 1 125 ? -30.138 9.371   5.046   1   66.908  ? 137 PHE   B HA   1 c 2 
ATOM   3615 H HB2  . PHE   B 1 125 ? -28.286 10.479  4.064   1   64.625  ? 137 PHE   B HB2  1 c 2 
ATOM   3616 H HB3  . PHE   B 1 125 ? -28.403 8.964   3.617   1   63.675  ? 137 PHE   B HB3  1 c 2 
ATOM   3617 H HD1  . PHE   B 1 125 ? -28.671 12.274  2.414   1   66.268  ? 137 PHE   B HD1  1 c 2 
ATOM   3618 H HD2  . PHE   B 1 125 ? -28.809 8.418   1.275   1   59.482  ? 137 PHE   B HD2  1 c 2 
ATOM   3619 H HE1  . PHE   B 1 125 ? -28.548 12.922  0.184   1   68.854  ? 137 PHE   B HE1  1 c 2 
ATOM   3620 H HE2  . PHE   B 1 125 ? -28.686 9.074   -0.943  1   62.421  ? 137 PHE   B HE2  1 c 2 
ATOM   3621 H HZ   . PHE   B 1 125 ? -28.556 11.324  -1.491  1   67.422  ? 137 PHE   B HZ   1 c 2 
ATOM   3622 N N    . LYS   B 1 126 ? -30.62  11.75   5.469   1   67.869  ? 138 LYS   B N    1 ? 2 
ATOM   3623 C CA   . LYS   B 1 126 ? -31.321 12.943  5.916   1   71.43   ? 138 LYS   B CA   1 ? 2 
ATOM   3624 C C    . LYS   B 1 126 ? -30.288 13.918  6.481   1   68.745  ? 138 LYS   B C    1 ? 2 
ATOM   3625 O O    . LYS   B 1 126 ? -29.265 13.505  7.024   1   56.032  ? 138 LYS   B O    1 ? 2 
ATOM   3626 C CB   . LYS   B 1 126 ? -32.369 12.578  6.972   1   72.187  ? 138 LYS   B CB   1 ? 2 
ATOM   3627 H H    . LYS   B 1 126 ? -29.987 11.39   6.023   1   66.439  ? 138 LYS   B H    1 c 2 
ATOM   3628 H HA   . LYS   B 1 126 ? -31.768 13.363  5.138   1   72.375  ? 138 LYS   B HA   1 c 2 
ATOM   3629 H HB2  . LYS   B 1 126 ? -31.883 12.257  7.901   0   30      ? 138 LYS   B HB2  1 c 2 
ATOM   3630 H HB3  . LYS   B 1 126 ? -33.274 12.651  6.732   0   30      ? 138 LYS   B HB3  1 c 2 
ATOM   3631 N N    . GLY   B 1 127 ? -30.581 15.215  6.367   1   70.206  ? 139 GLY   B N    1 ? 2 
ATOM   3632 C CA   . GLY   B 1 127 ? -29.634 16.238  6.761   1   71.462  ? 139 GLY   B CA   1 ? 2 
ATOM   3633 C C    . GLY   B 1 127 ? -29.473 16.33   8.276   1   76.128  ? 139 GLY   B C    1 ? 2 
ATOM   3634 O O    . GLY   B 1 127 ? -30.45  16.264  9.029   1   76.86   ? 139 GLY   B O    1 ? 2 
ATOM   3635 H H    . GLY   B 1 127 ? -31.396 15.468  6.038   1   73.154  ? 139 GLY   B H    1 c 2 
ATOM   3636 H HA2  . GLY   B 1 127 ? -28.761 16.042  6.347   1   69.702  ? 139 GLY   B HA2  1 c 2 
ATOM   3637 H HA3  . GLY   B 1 127 ? -29.944 17.106  6.413   1   73.996  ? 139 GLY   B HA3  1 c 2 
ATOM   3638 N N    . GLU   B 1 128 ? -28.215 16.504  8.706   1   77.686  ? 140 GLU   B N    1 ? 2 
ATOM   3639 C CA   . GLU   B 1 128 ? -27.93  17.205  9.95    1   84.985  ? 140 GLU   B CA   1 ? 2 
ATOM   3640 C C    . GLU   B 1 128 ? -28.959 18.353  10.062  1   96.437  ? 140 GLU   B C    1 ? 2 
ATOM   3641 O O    . GLU   B 1 128 ? -28.871 19.289  9.225   1   106.195 ? 140 GLU   B O    1 ? 2 
ATOM   3642 C CB   . GLU   B 1 128 ? -26.475 17.697  10.014  1   80.551  ? 140 GLU   B CB   1 ? 2 
ATOM   3643 O OXT  . GLU   B 1 128 ? -29.863 18.246  10.933  1   96.114  ? 140 GLU   B OXT  1 ? 2 
ATOM   3644 H H    . GLU   B 1 128 ? -27.519 16.169  8.216   1   75.756  ? 140 GLU   B H    1 c 2 
ATOM   3645 H HA   . GLU   B 1 128 ? -28.08  16.575  10.7    1   84.264  ? 140 GLU   B HA   1 c 2 
ATOM   3646 H HB2  . GLU   B 1 128 ? -25.793 16.687  9.893   0   30      ? 140 GLU   B HB2  1 c 2 
ATOM   3647 H HB3  . GLU   B 1 128 ? -26.323 18.448  10.149  0   30      ? 140 GLU   B HB3  1 c 2 
HETATM 3648 C CAK  . A1IN2 C 2 .   ? -3.731  12.024  19.093  1   27.773  ? 201 A1IN2 A CAK  1 ? 1 
HETATM 3649 C CAL  . A1IN2 C 2 .   ? -3.103  10.831  19.576  1   29.679  ? 201 A1IN2 A CAL  1 ? 1 
HETATM 3650 C CAM  . A1IN2 C 2 .   ? -2.721  10.842  21.042  1   27.511  ? 201 A1IN2 A CAM  1 ? 1 
HETATM 3651 C CAN  . A1IN2 C 2 .   ? -3.969  11.038  21.883  1   26.225  ? 201 A1IN2 A CAN  1 ? 1 
HETATM 3652 C CAO  . A1IN2 C 2 .   ? -4.662  12.269  21.511  1   27.33   ? 201 A1IN2 A CAO  1 ? 1 
HETATM 3653 C CAJ  . A1IN2 C 2 .   ? -4.987  12.31   19.961  1   26.929  ? 201 A1IN2 A CAJ  1 ? 1 
HETATM 3654 C CAI  . A1IN2 C 2 .   ? -5.704  13.648  19.639  1   27.848  ? 201 A1IN2 A CAI  1 ? 1 
HETATM 3655 C CAB  . A1IN2 C 2 .   ? -7.064  13.732  20.15   1   26.857  ? 201 A1IN2 A CAB  1 ? 1 
HETATM 3656 O OAA  . A1IN2 C 2 .   ? -7.691  12.742  20.458  1   25.325  ? 201 A1IN2 A OAA  1 ? 1 
HETATM 3657 N N    . A1IN2 C 2 .   ? -7.615  14.908  20.525  1   26.501  ? 201 A1IN2 A N    1 ? 1 
HETATM 3658 C CAH  . A1IN2 C 2 .   ? -6.903  16.189  20.149  1   26.561  ? 201 A1IN2 A CAH  1 ? 1 
HETATM 3659 C CAG  . A1IN2 C 2 .   ? -7.053  17.3    21.165  1   28.57   ? 201 A1IN2 A CAG  1 ? 1 
HETATM 3660 C CAF  . A1IN2 C 2 .   ? -8.541  17.447  21.457  1   26.964  ? 201 A1IN2 A CAF  1 ? 1 
HETATM 3661 C CB   . A1IN2 C 2 .   ? -8.992  16.146  22.084  1   27.34   ? 201 A1IN2 A CB   1 ? 1 
HETATM 3662 C CA   . A1IN2 C 2 .   ? -8.991  14.998  21.099  1   25.527  ? 201 A1IN2 A CA   1 ? 1 
HETATM 3663 C C    . A1IN2 C 2 .   ? -9.971  15.157  20.032  1   25.152  ? 201 A1IN2 A C    1 ? 1 
HETATM 3664 O O    . A1IN2 C 2 .   ? -11.154 15.194  20.276  1   26.075  ? 201 A1IN2 A O    1 ? 1 
HETATM 3665 O OBB  . A1IN2 C 2 .   ? -9.462  15.232  18.73   1   27.316  ? 201 A1IN2 A OBB  1 ? 1 
HETATM 3666 C CBA  . A1IN2 C 2 .   ? -10.48  15.172  17.688  1   27.394  ? 201 A1IN2 A CBA  1 ? 1 
HETATM 3667 C CAZ  . A1IN2 C 2 .   ? -9.792  15.355  16.451  1   29.303  ? 201 A1IN2 A CAZ  1 ? 1 
HETATM 3668 O OAY  . A1IN2 C 2 .   ? -9.726  16.824  16.286  1   33.34   ? 201 A1IN2 A OAY  1 ? 1 
HETATM 3669 C CAX  . A1IN2 C 2 .   ? -9.206  17.179  14.982  1   37.959  ? 201 A1IN2 A CAX  1 ? 1 
HETATM 3670 C CBI  . A1IN2 C 2 .   ? -7.82   16.91   14.648  1   39.099  ? 201 A1IN2 A CBI  1 ? 1 
HETATM 3671 C CAW  . A1IN2 C 2 .   ? -7.406  15.949  13.681  1   37.827  ? 201 A1IN2 A CAW  1 ? 1 
HETATM 3672 C CBJ  . A1IN2 C 2 .   ? -6.1    15.622  13.335  1   37.623  ? 201 A1IN2 A CBJ  1 ? 1 
HETATM 3673 O OAV  . A1IN2 C 2 .   ? -5.687  14.35   13.975  1   34.912  ? 201 A1IN2 A OAV  1 ? 1 
HETATM 3674 C CAU  . A1IN2 C 2 .   ? -5.741  14.196  15.343  1   32.287  ? 201 A1IN2 A CAU  1 ? 1 
HETATM 3675 C CAR  . A1IN2 C 2 .   ? -6.619  13.289  15.936  1   29.272  ? 201 A1IN2 A CAR  1 ? 1 
HETATM 3676 O OAS  . A1IN2 C 2 .   ? -7.448  12.68   15.067  1   30.146  ? 201 A1IN2 A OAS  1 ? 1 
HETATM 3677 C CAT  . A1IN2 C 2 .   ? -8.302  11.722  15.666  1   30.451  ? 201 A1IN2 A CAT  1 ? 1 
HETATM 3678 C CAQ  . A1IN2 C 2 .   ? -6.653  13.119  17.368  1   27.056  ? 201 A1IN2 A CAQ  1 ? 1 
HETATM 3679 C CAP  . A1IN2 C 2 .   ? -5.755  13.856  18.161  1   27.755  ? 201 A1IN2 A CAP  1 ? 1 
HETATM 3680 C CBH  . A1IN2 C 2 .   ? -4.862  14.732  17.532  1   30.162  ? 201 A1IN2 A CBH  1 ? 1 
HETATM 3681 C CBE  . A1IN2 C 2 .   ? -4.816  14.893  16.135  1   32.611  ? 201 A1IN2 A CBE  1 ? 1 
HETATM 3682 O OBF  . A1IN2 C 2 .   ? -3.965  15.747  15.491  1   31.338  ? 201 A1IN2 A OBF  1 ? 1 
HETATM 3683 C CBG  . A1IN2 C 2 .   ? -2.864  16.323  16.244  1   33.502  ? 201 A1IN2 A CBG  1 ? 1 
HETATM 3684 H HAK  . A1IN2 C 2 .   ? -4.176  11.872  18.155  1   28.756  ? 201 A1IN2 A HAK  1 c 1 
HETATM 3685 H HB6  . A1IN2 C 2 .   ? -3.259  13.036  19.22   1   28.974  ? 201 A1IN2 A HB6  1 c 1 
HETATM 3686 H HAL  . A1IN2 C 2 .   ? -2.199  10.663  18.99   1   30.246  ? 201 A1IN2 A HAL  1 c 1 
HETATM 3687 H HB7  . A1IN2 C 2 .   ? -3.779  9.996   19.409  1   28.397  ? 201 A1IN2 A HB7  1 c 1 
HETATM 3688 H HAM  . A1IN2 C 2 .   ? -2.022  11.657  21.23   1   28.595  ? 201 A1IN2 A HAM  1 c 1 
HETATM 3689 H HB8  . A1IN2 C 2 .   ? -2.252  9.893   21.303  1   28.205  ? 201 A1IN2 A HB8  1 c 1 
HETATM 3690 H HAN  . A1IN2 C 2 .   ? -3.689  11.091  22.934  1   26.179  ? 201 A1IN2 A HAN  1 c 1 
HETATM 3691 H HB9  . A1IN2 C 2 .   ? -4.639  10.192  21.732  1   25.962  ? 201 A1IN2 A HB9  1 c 1 
HETATM 3692 H HCA  . A1IN2 C 2 .   ? -5.612  12.313  21.92   1   25.883  ? 201 A1IN2 A HCA  1 c 1 
HETATM 3693 H HAO  . A1IN2 C 2 .   ? -4.104  13.16   21.63   1   27.368  ? 201 A1IN2 A HAO  1 c 1 
HETATM 3694 H HAJ  . A1IN2 C 2 .   ? -5.688  11.503  19.759  1   26.658  ? 201 A1IN2 A HAJ  1 c 1 
HETATM 3695 H HAI  . A1IN2 C 2 .   ? -5.09   14.421  20.085  1   27.863  ? 201 A1IN2 A HAI  1 c 1 
HETATM 3696 H HAH  . A1IN2 C 2 .   ? -7.303  16.544  19.201  1   28.083  ? 201 A1IN2 A HAH  1 c 1 
HETATM 3697 H HB5  . A1IN2 C 2 .   ? -5.84   16.037  20.028  1   27.914  ? 201 A1IN2 A HB5  1 c 1 
HETATM 3698 H HAG  . A1IN2 C 2 .   ? -6.857  18.302  20.824  1   29.041  ? 201 A1IN2 A HAG  1 c 1 
HETATM 3699 H HB4  . A1IN2 C 2 .   ? -6.683  17.082  22.122  1   27.351  ? 201 A1IN2 A HB4  1 c 1 
HETATM 3700 H HAF  . A1IN2 C 2 .   ? -9.158  17.466  20.614  1   27.959  ? 201 A1IN2 A HAF  1 c 1 
HETATM 3701 H HB3  . A1IN2 C 2 .   ? -8.79   18.125  22.218  1   27.524  ? 201 A1IN2 A HB3  1 c 1 
HETATM 3702 H HB2  . A1IN2 C 2 .   ? -8.373  15.775  22.826  1   26.098  ? 201 A1IN2 A HB2  1 c 1 
HETATM 3703 H HB1  . A1IN2 C 2 .   ? -9.984  16.26   22.37   1   26.192  ? 201 A1IN2 A HB1  1 c 1 
HETATM 3704 H HA   . A1IN2 C 2 .   ? -9.224  14.087  21.65   1   24.886  ? 201 A1IN2 A HA   1 c 1 
HETATM 3705 H HCF  . A1IN2 C 2 .   ? -10.852 14.203  17.541  1   27.266  ? 201 A1IN2 A HCF  1 c 1 
HETATM 3706 H HBA  . A1IN2 C 2 .   ? -11.247 15.861  17.646  1   28.036  ? 201 A1IN2 A HBA  1 c 1 
HETATM 3707 H HCE  . A1IN2 C 2 .   ? -8.766  15.232  16.527  1   30.028  ? 201 A1IN2 A HCE  1 c 1 
HETATM 3708 H HAZ  . A1IN2 C 2 .   ? -10.205 14.754  15.654  1   30.358  ? 201 A1IN2 A HAZ  1 c 1 
HETATM 3709 H HCD  . A1IN2 C 2 .   ? -9.817  16.662  14.245  1   37.766  ? 201 A1IN2 A HCD  1 c 1 
HETATM 3710 H HAX  . A1IN2 C 2 .   ? -9.362  18.248  14.852  1   38.444  ? 201 A1IN2 A HAX  1 c 1 
HETATM 3711 H HBI  . A1IN2 C 2 .   ? -7.048  17.464  15.181  1   38.673  ? 201 A1IN2 A HBI  1 c 1 
HETATM 3712 H HAW  . A1IN2 C 2 .   ? -8.194  15.396  13.171  1   37.98   ? 201 A1IN2 A HAW  1 c 1 
HETATM 3713 H HBJ  . A1IN2 C 2 .   ? -5.403  16.308  13.68   1   38.001  ? 201 A1IN2 A HBJ  1 c 1 
HETATM 3714 H HCI  . A1IN2 C 2 .   ? -5.999  15.41   12.316  1   38.968  ? 201 A1IN2 A HCI  1 c 1 
HETATM 3715 H HCC  . A1IN2 C 2 .   ? -8.866  11.223  14.878  1   30.524  ? 201 A1IN2 A HCC  1 c 1 
HETATM 3716 H HAT  . A1IN2 C 2 .   ? -9.007  12.215  16.332  1   29.066  ? 201 A1IN2 A HAT  1 c 1 
HETATM 3717 H HCB  . A1IN2 C 2 .   ? -7.724  10.97   16.204  1   29.416  ? 201 A1IN2 A HCB  1 c 1 
HETATM 3718 H HAQ  . A1IN2 C 2 .   ? -7.345  12.429  17.843  1   26.402  ? 201 A1IN2 A HAQ  1 c 1 
HETATM 3719 H HBH  . A1IN2 C 2 .   ? -4.155  15.263  18.15   1   30.46   ? 201 A1IN2 A HBH  1 c 1 
HETATM 3720 H HCH  . A1IN2 C 2 .   ? -2.181  16.82   15.557  1   34.963  ? 201 A1IN2 A HCH  1 c 1 
HETATM 3721 H HBG  . A1IN2 C 2 .   ? -2.326  15.553  16.784  1   32.6    ? 201 A1IN2 A HBG  1 c 1 
HETATM 3722 H HCG  . A1IN2 C 2 .   ? -3.253  17.054  16.951  1   32.424  ? 201 A1IN2 A HCG  1 c 1 
HETATM 3723 C CAK  . A1IN2 D 2 .   ? -18.041 -7.827  11.796  1   28.858  ? 201 A1IN2 B CAK  1 ? 2 
HETATM 3724 C CAL  . A1IN2 D 2 .   ? -17.059 -8.884  11.57   1   32.834  ? 201 A1IN2 B CAL  1 ? 2 
HETATM 3725 C CAM  . A1IN2 D 2 .   ? -17.086 -9.21   10.044  1   31.565  ? 201 A1IN2 B CAM  1 ? 2 
HETATM 3726 C CAN  . A1IN2 D 2 .   ? -16.626 -7.955  9.351   1   30.663  ? 201 A1IN2 B CAN  1 ? 2 
HETATM 3727 C CAO  . A1IN2 D 2 .   ? -17.514 -6.765  9.584   1   29.243  ? 201 A1IN2 B CAO  1 ? 2 
HETATM 3728 C CAJ  . A1IN2 D 2 .   ? -17.626 -6.599  11.137  1   28.518  ? 201 A1IN2 B CAJ  1 ? 2 
HETATM 3729 C CAI  . A1IN2 D 2 .   ? -18.497 -5.338  11.589  1   27.023  ? 201 A1IN2 B CAI  1 ? 2 
HETATM 3730 C CAB  . A1IN2 D 2 .   ? -17.935 -4.087  11.084  1   24.023  ? 201 A1IN2 B CAB  1 ? 2 
HETATM 3731 O OAA  . A1IN2 D 2 .   ? -16.713 -3.931  10.872  1   26.426  ? 201 A1IN2 B OAA  1 ? 2 
HETATM 3732 N N    . A1IN2 D 2 .   ? -18.674 -3.006  10.849  1   25.868  ? 201 A1IN2 B N    1 ? 2 
HETATM 3733 C CAH  . A1IN2 D 2 .   ? -20.051 -2.983  11.164  1   27.542  ? 201 A1IN2 B CAH  1 ? 2 
HETATM 3734 C CAG  . A1IN2 D 2 .   ? -20.939 -2.184  10.286  1   29.043  ? 201 A1IN2 B CAG  1 ? 2 
HETATM 3735 C CAF  . A1IN2 D 2 .   ? -20.388 -0.813  9.995   1   27.319  ? 201 A1IN2 B CAF  1 ? 2 
HETATM 3736 C CB   . A1IN2 D 2 .   ? -18.946 -1.013  9.413   1   26.026  ? 201 A1IN2 B CB   1 ? 2 
HETATM 3737 C CA   . A1IN2 D 2 .   ? -18.062 -1.735  10.433  1   26.627  ? 201 A1IN2 B CA   1 ? 2 
HETATM 3738 C C    . A1IN2 D 2 .   ? -17.763 -0.82   11.505  1   26.075  ? 201 A1IN2 B C    1 ? 2 
HETATM 3739 O O    . A1IN2 D 2 .   ? -17.307 0.321   11.289  1   24.017  ? 201 A1IN2 B O    1 ? 2 
HETATM 3740 O OBB  . A1IN2 D 2 .   ? -18.041 -1.251  12.699  1   26.239  ? 201 A1IN2 B OBB  1 ? 2 
HETATM 3741 C CBA  . A1IN2 D 2 .   ? -17.552 -0.398  13.824  1   28.372  ? 201 A1IN2 B CBA  1 ? 2 
HETATM 3742 C CAZ  . A1IN2 D 2 .   ? -18.127 -0.882  15.072  1   32.295  ? 201 A1IN2 B CAZ  1 ? 2 
HETATM 3743 O OAY  . A1IN2 D 2 .   ? -19.52  -0.661  14.996  1   31.265  ? 201 A1IN2 B OAY  1 ? 2 
HETATM 3744 C CAX  . A1IN2 D 2 .   ? -20.096 -0.847  16.263  1   36.237  ? 201 A1IN2 B CAX  1 ? 2 
HETATM 3745 C CBI  . A1IN2 D 2 .   ? -20.444 -2.201  16.651  1   37.493  ? 201 A1IN2 B CBI  1 ? 2 
HETATM 3746 C CAW  . A1IN2 D 2 .   ? -19.612 -2.97   17.48   1   37.346  ? 201 A1IN2 B CAW  1 ? 2 
HETATM 3747 C CBJ  . A1IN2 D 2 .   ? -19.968 -4.309  17.867  1   40.411  ? 201 A1IN2 B CBJ  1 ? 2 
HETATM 3748 O OAV  . A1IN2 D 2 .   ? -18.992 -5.155  17.252  1   36.258  ? 201 A1IN2 B OAV  1 ? 2 
HETATM 3749 C CAU  . A1IN2 D 2 .   ? -18.834 -5.122  15.862  1   33.004  ? 201 A1IN2 B CAU  1 ? 2 
HETATM 3750 C CAR  . A1IN2 D 2 .   ? -17.67  -4.725  15.315  1   31.115  ? 201 A1IN2 B CAR  1 ? 2 
HETATM 3751 O OAS  . A1IN2 D 2 .   ? -16.751 -4.31   16.214  1   31.177  ? 201 A1IN2 B OAS  1 ? 2 
HETATM 3752 C CAT  . A1IN2 D 2 .   ? -15.529 -3.96   15.574  1   30.113  ? 201 A1IN2 B CAT  1 ? 2 
HETATM 3753 C CAQ  . A1IN2 D 2 .   ? -17.529 -4.813  13.896  1   27.9    ? 201 A1IN2 B CAQ  1 ? 2 
HETATM 3754 C CAP  . A1IN2 D 2 .   ? -18.585 -5.309  13.083  1   27.544  ? 201 A1IN2 B CAP  1 ? 2 
HETATM 3755 C CBH  . A1IN2 D 2 .   ? -19.744 -5.689  13.692  1   30.913  ? 201 A1IN2 B CBH  1 ? 2 
HETATM 3756 C CBE  . A1IN2 D 2 .   ? -19.86  -5.605  15.071  1   34.292  ? 201 A1IN2 B CBE  1 ? 2 
HETATM 3757 O OBF  . A1IN2 D 2 .   ? -20.924 -6.023  15.76   1   37.094  ? 201 A1IN2 B OBF  1 ? 2 
HETATM 3758 C CBG  . A1IN2 D 2 .   ? -22.116 -6.26   15.042  1   37.957  ? 201 A1IN2 B CBG  1 ? 2 
HETATM 3759 H HAK  . A1IN2 D 2 .   ? -18.133 -7.587  12.776  1   30.759  ? 201 A1IN2 B HAK  1 c 2 
HETATM 3760 H HB6  . A1IN2 D 2 .   ? -18.891 -8.34   11.387  1   31.33   ? 201 A1IN2 B HB6  1 c 2 
HETATM 3761 H HAL  . A1IN2 D 2 .   ? -17.342 -9.77   12.142  1   33.458  ? 201 A1IN2 B HAL  1 c 2 
HETATM 3762 H HB7  . A1IN2 D 2 .   ? -16.067 -8.562  11.871  1   30.865  ? 201 A1IN2 B HB7  1 c 2 
HETATM 3763 H HAM  . A1IN2 D 2 .   ? -18.091 -9.479  9.716   1   33.013  ? 201 A1IN2 B HAM  1 c 2 
HETATM 3764 H HB8  . A1IN2 D 2 .   ? -16.396 -10.026 9.827   1   32.304  ? 201 A1IN2 B HB8  1 c 2 
HETATM 3765 H HAN  . A1IN2 D 2 .   ? -16.584 -8.147  8.28    1   29.984  ? 201 A1IN2 B HAN  1 c 2 
HETATM 3766 H HB9  . A1IN2 D 2 .   ? -15.624 -7.711  9.701   1   29.409  ? 201 A1IN2 B HB9  1 c 2 
HETATM 3767 H HCA  . A1IN2 D 2 .   ? -17.11  -5.853  9.285   1   27.839  ? 201 A1IN2 B HCA  1 c 2 
HETATM 3768 H HAO  . A1IN2 D 2 .   ? -18.52  -6.919  9.331   1   30.028  ? 201 A1IN2 B HAO  1 c 2 
HETATM 3769 H HAJ  . A1IN2 D 2 .   ? -16.616 -6.397  11.486  1   27.473  ? 201 A1IN2 B HAJ  1 c 2 
HETATM 3770 H HAI  . A1IN2 D 2 .   ? -19.482 -5.503  11.169  1   27.795  ? 201 A1IN2 B HAI  1 c 2 
HETATM 3771 H HAH  . A1IN2 D 2 .   ? -20.16  -2.603  12.179  1   28.599  ? 201 A1IN2 B HAH  1 c 2 
HETATM 3772 H HB5  . A1IN2 D 2 .   ? -20.464 -3.984  11.144  1   28.844  ? 201 A1IN2 B HB5  1 c 2 
HETATM 3773 H HAG  . A1IN2 D 2 .   ? -21.859 -1.991  10.722  1   30.072  ? 201 A1IN2 B HAG  1 c 2 
HETATM 3774 H HB4  . A1IN2 D 2 .   ? -21.012 -2.57   9.324   1   28.39   ? 201 A1IN2 B HB4  1 c 2 
HETATM 3775 H HAF  . A1IN2 D 2 .   ? -20.214 -0.175  10.815  1   27.711  ? 201 A1IN2 B HAF  1 c 2 
HETATM 3776 H HB3  . A1IN2 D 2 .   ? -20.846 -0.339  9.182   1   27.564  ? 201 A1IN2 B HB3  1 c 2 
HETATM 3777 H HB2  . A1IN2 D 2 .   ? -18.914 -1.706  8.634   1   25.928  ? 201 A1IN2 B HB2  1 c 2 
HETATM 3778 H HB1  . A1IN2 D 2 .   ? -18.398 -0.168  9.227   1   25.345  ? 201 A1IN2 B HB1  1 c 2 
HETATM 3779 H HA   . A1IN2 D 2 .   ? -17.124 -1.944  9.92    1   25.002  ? 201 A1IN2 B HA   1 c 2 
HETATM 3780 H HCF  . A1IN2 D 2 .   ? -16.544 -0.548  14.054  1   28.05   ? 201 A1IN2 B HCF  1 c 2 
HETATM 3781 H HBA  . A1IN2 D 2 .   ? -17.828 0.676   13.86   1   28.676  ? 201 A1IN2 B HBA  1 c 2 
HETATM 3782 H HCE  . A1IN2 D 2 .   ? -18.105 -1.907  15.326  1   31.909  ? 201 A1IN2 B HCE  1 c 2 
HETATM 3783 H HAZ  . A1IN2 D 2 .   ? -18.002 -0.092  15.825  1   32.169  ? 201 A1IN2 B HAZ  1 c 2 
HETATM 3784 H HCD  . A1IN2 D 2 .   ? -19.453 -0.432  17.038  1   36.02   ? 201 A1IN2 B HCD  1 c 2 
HETATM 3785 H HAX  . A1IN2 D 2 .   ? -21.021 -0.272  16.275  1   36.638  ? 201 A1IN2 B HAX  1 c 2 
HETATM 3786 H HBI  . A1IN2 D 2 .   ? -21.38  -2.63   16.293  1   38.209  ? 201 A1IN2 B HBI  1 c 2 
HETATM 3787 H HAW  . A1IN2 D 2 .   ? -18.677 -2.542  17.843  1   37.226  ? 201 A1IN2 B HAW  1 c 2 
HETATM 3788 H HBJ  . A1IN2 D 2 .   ? -20.888 -4.618  17.495  1   40.233  ? 201 A1IN2 B HBJ  1 c 2 
HETATM 3789 H HCI  . A1IN2 D 2 .   ? -19.835 -4.505  18.886  1   41.298  ? 201 A1IN2 B HCI  1 c 2 
HETATM 3790 H HCC  . A1IN2 D 2 .   ? -14.807 -3.684  16.342  1   30.465  ? 201 A1IN2 B HCC  1 c 2 
HETATM 3791 H HAT  . A1IN2 D 2 .   ? -15.681 -3.1    14.925  1   28.692  ? 201 A1IN2 B HAT  1 c 2 
HETATM 3792 H HCB  . A1IN2 D 2 .   ? -15.127 -4.804  15.012  1   29.358  ? 201 A1IN2 B HCB  1 c 2 
HETATM 3793 H HAQ  . A1IN2 D 2 .   ? -16.621 -4.469  13.41   1   26.652  ? 201 A1IN2 B HAQ  1 c 2 
HETATM 3794 H HBH  . A1IN2 D 2 .   ? -20.559 -6.062  13.088  1   31.779  ? 201 A1IN2 B HBH  1 c 2 
HETATM 3795 H HCH  . A1IN2 D 2 .   ? -22.929 -6.416  15.752  1   40.444  ? 201 A1IN2 B HCH  1 c 2 
HETATM 3796 H HBG  . A1IN2 D 2 .   ? -22.012 -7.153  14.425  1   37.884  ? 201 A1IN2 B HBG  1 c 2 
HETATM 3797 H HCG  . A1IN2 D 2 .   ? -22.359 -5.399  14.416  1   36.888  ? 201 A1IN2 B HCG  1 c 2 
HETATM 3798 O O    . HOH   E 3 .   ? -7.822  -0.886  34.561  1   38.376  ? 301 HOH   A O    1 ? ? 
HETATM 3799 O O    . HOH   E 3 .   ? -19.19  31.124  31.14   1   50.603  ? 302 HOH   A O    1 ? ? 
HETATM 3800 O O    . HOH   E 3 .   ? -19.38  17.482  32.831  1   30.833  ? 303 HOH   A O    1 ? ? 
HETATM 3801 O O    . HOH   E 3 .   ? 0.788   16.314  17.567  1   43.287  ? 304 HOH   A O    1 ? ? 
HETATM 3802 O O    . HOH   E 3 .   ? -18.666 12.44   40.265  1   56.221  ? 305 HOH   A O    1 ? ? 
HETATM 3803 O O    . HOH   E 3 .   ? -16.542 2.241   31.356  1   32.649  ? 306 HOH   A O    1 ? ? 
HETATM 3804 O O    . HOH   E 3 .   ? -13.181 29.459  36.97   1   42.724  ? 307 HOH   A O    1 ? ? 
HETATM 3805 O O    . HOH   E 3 .   ? -13.108 2.308   34.455  1   38.953  ? 308 HOH   A O    1 ? ? 
HETATM 3806 O O    . HOH   E 3 .   ? -10.136 1.224   12.976  1   32.89   ? 309 HOH   A O    1 ? ? 
HETATM 3807 O O    . HOH   E 3 .   ? -7.124  12.495  12.493  1   37.967  ? 310 HOH   A O    1 ? ? 
HETATM 3808 O O    . HOH   E 3 .   ? -11.734 5.732   40.647  1   41.128  ? 311 HOH   A O    1 ? ? 
HETATM 3809 O O    . HOH   E 3 .   ? -22.553 29.254  26.646  1   51.178  ? 312 HOH   A O    1 ? ? 
HETATM 3810 O O    . HOH   E 3 .   ? -1.723  19.111  18.177  1   50.084  ? 313 HOH   A O    1 ? ? 
HETATM 3811 O O    . HOH   E 3 .   ? -18.966 5.362   39.443  1   32.955  ? 314 HOH   A O    1 ? ? 
HETATM 3812 O O    . HOH   E 3 .   ? -16.22  10.612  21.664  1   25.234  ? 315 HOH   A O    1 ? ? 
HETATM 3813 O O    . HOH   E 3 .   ? -10.258 23.284  40.579  1   39.679  ? 316 HOH   A O    1 ? ? 
HETATM 3814 O O    . HOH   E 3 .   ? -13.446 21.542  39.273  1   39.67   ? 317 HOH   A O    1 ? ? 
HETATM 3815 O O    . HOH   E 3 .   ? -19.067 15.159  16.862  1   54.892  ? 318 HOH   A O    1 ? ? 
HETATM 3816 O O    . HOH   E 3 .   ? -17.181 20.396  21.523  1   36.772  ? 319 HOH   A O    1 ? ? 
HETATM 3817 O O    . HOH   E 3 .   ? -4.784  29.869  21.072  1   64.992  ? 320 HOH   A O    1 ? ? 
HETATM 3818 O O    . HOH   E 3 .   ? -18.238 15.014  21.863  1   49.157  ? 321 HOH   A O    1 ? ? 
HETATM 3819 O O    . HOH   E 3 .   ? -13.569 17.937  39.661  1   37.065  ? 322 HOH   A O    1 ? ? 
HETATM 3820 O O    . HOH   E 3 .   ? -6.068  9.29    12.532  1   49.728  ? 323 HOH   A O    1 ? ? 
HETATM 3821 O O    . HOH   E 3 .   ? -9.486  15.185  41.971  1   32.699  ? 324 HOH   A O    1 ? ? 
HETATM 3822 O O    . HOH   E 3 .   ? -10.776 3.757   19.639  1   26.482  ? 325 HOH   A O    1 ? ? 
HETATM 3823 O O    . HOH   E 3 .   ? -0.434  21.381  41.546  1   44.998  ? 326 HOH   A O    1 ? ? 
HETATM 3824 O O    . HOH   E 3 .   ? -9.716  8.424   10.612  1   40.414  ? 327 HOH   A O    1 ? ? 
HETATM 3825 O O    . HOH   E 3 .   ? -7.19   -2.455  18.795  1   38.402  ? 328 HOH   A O    1 ? ? 
HETATM 3826 O O    . HOH   E 3 .   ? 2.967   19.08   32.593  1   33.829  ? 329 HOH   A O    1 ? ? 
HETATM 3827 O O    . HOH   E 3 .   ? -16.393 5.286   40.65   1   38.083  ? 330 HOH   A O    1 ? ? 
HETATM 3828 O O    . HOH   E 3 .   ? -20.497 18.674  28.219  1   42.237  ? 331 HOH   A O    1 ? ? 
HETATM 3829 O O    . HOH   E 3 .   ? -19.157 -0.284  19.78   1   39.022  ? 332 HOH   A O    1 ? ? 
HETATM 3830 O O    . HOH   E 3 .   ? -12.469 10.419  14.033  1   40.806  ? 333 HOH   A O    1 ? ? 
HETATM 3831 O O    . HOH   E 3 .   ? -22.522 8.743   30.667  1   38.028  ? 334 HOH   A O    1 ? ? 
HETATM 3832 O O    . HOH   E 3 .   ? -16.946 3.313   28.903  1   34.747  ? 335 HOH   A O    1 ? ? 
HETATM 3833 O O    . HOH   E 3 .   ? 1.053   25.888  33.423  1   34.95   ? 336 HOH   A O    1 ? ? 
HETATM 3834 O O    . HOH   E 3 .   ? -15.95  0.95    22.668  1   44.791  ? 337 HOH   A O    1 ? ? 
HETATM 3835 O O    . HOH   E 3 .   ? -22.694 2.632   30.357  1   43.081  ? 338 HOH   A O    1 ? ? 
HETATM 3836 O O    . HOH   E 3 .   ? -19.67  25.821  38.28   1   55.544  ? 339 HOH   A O    1 ? ? 
HETATM 3837 O O    . HOH   E 3 .   ? -2.906  20.813  19.148  1   52.15   ? 340 HOH   A O    1 ? ? 
HETATM 3838 O O    . HOH   E 3 .   ? -10.717 5.613   21.663  1   24.024  ? 341 HOH   A O    1 ? ? 
HETATM 3839 O O    . HOH   E 3 .   ? -7.417  0.253   25.684  1   29.846  ? 342 HOH   A O    1 ? ? 
HETATM 3840 O O    . HOH   E 3 .   ? -7.885  9.746   36.281  1   32.895  ? 343 HOH   A O    1 ? ? 
HETATM 3841 O O    . HOH   E 3 .   ? -11.814 5.515   32.605  1   28.092  ? 344 HOH   A O    1 ? ? 
HETATM 3842 O O    . HOH   E 3 .   ? -13.418 0.399   36.947  1   33.614  ? 345 HOH   A O    1 ? ? 
HETATM 3843 O O    . HOH   E 3 .   ? -1.07   20.077  30.107  1   37.23   ? 346 HOH   A O    1 ? ? 
HETATM 3844 O O    . HOH   E 3 .   ? -15.507 7.818   41.366  1   35.418  ? 347 HOH   A O    1 ? ? 
HETATM 3845 O O    . HOH   E 3 .   ? -21.471 11.142  38.055  1   43.182  ? 348 HOH   A O    1 ? ? 
HETATM 3846 O O    . HOH   E 3 .   ? 4.531   19.166  25.364  1   46.119  ? 349 HOH   A O    1 ? ? 
HETATM 3847 O O    . HOH   E 3 .   ? -10.729 3.978   12.015  1   26.625  ? 350 HOH   A O    1 ? ? 
HETATM 3848 O O    . HOH   E 3 .   ? -19.897 15.654  34.846  1   41.901  ? 351 HOH   A O    1 ? ? 
HETATM 3849 O O    . HOH   E 3 .   ? -3.881  15.149  42.812  1   44.667  ? 352 HOH   A O    1 ? ? 
HETATM 3850 O O    . HOH   E 3 .   ? -17.103 3.188   17.518  1   33.171  ? 353 HOH   A O    1 ? ? 
HETATM 3851 O O    . HOH   E 3 .   ? -13.238 32.573  32.476  1   59.859  ? 354 HOH   A O    1 ? ? 
HETATM 3852 O O    . HOH   E 3 .   ? -7.66   28.906  44.193  1   53.676  ? 355 HOH   A O    1 ? ? 
HETATM 3853 O O    . HOH   E 3 .   ? -17.672 1.817   21.029  1   40.887  ? 356 HOH   A O    1 ? ? 
HETATM 3854 O O    . HOH   E 3 .   ? -0.276  17.393  41.612  1   47.398  ? 357 HOH   A O    1 ? ? 
HETATM 3855 O O    . HOH   E 3 .   ? -20.113 2.988   39.314  1   44.927  ? 358 HOH   A O    1 ? ? 
HETATM 3856 O O    . HOH   E 3 .   ? 4.049   22.237  29.550  1   39.205  ? 359 HOH   A O    1 ? ? 
HETATM 3857 O O    . HOH   E 3 .   ? -16.947 7.037   19.682  1   46.681  ? 360 HOH   A O    1 ? ? 
HETATM 3858 O O    . HOH   E 3 .   ? 3.575   10.383  18.422  1   56.313  ? 361 HOH   A O    1 ? ? 
HETATM 3859 O O    . HOH   E 3 .   ? -3.888  2.473   23.341  1   30.895  ? 362 HOH   A O    1 ? ? 
HETATM 3860 O O    . HOH   E 3 .   ? -23.658 3.083   28.002  1   59.12   ? 363 HOH   A O    1 ? ? 
HETATM 3861 O O    . HOH   E 3 .   ? -1.298  2.568   18.084  1   37.028  ? 364 HOH   A O    1 ? ? 
HETATM 3862 O O    . HOH   E 3 .   ? -5.616  9.674   36.222  1   38.019  ? 365 HOH   A O    1 ? ? 
HETATM 3863 O O    . HOH   E 3 .   ? -1.254  13.473  16.647  1   44.887  ? 366 HOH   A O    1 ? ? 
HETATM 3864 O O    . HOH   E 3 .   ? -14.277 14.601  17.555  1   39.451  ? 367 HOH   A O    1 ? ? 
HETATM 3865 O O    . HOH   E 3 .   ? -21.036 4.447   26.586  1   49.935  ? 368 HOH   A O    1 ? ? 
HETATM 3866 O O    . HOH   E 3 .   ? -5.436  2.33    31.299  1   39.249  ? 369 HOH   A O    1 ? ? 
HETATM 3867 O O    . HOH   E 3 .   ? -14.307 0.506   32.944  1   46.164  ? 370 HOH   A O    1 ? ? 
HETATM 3868 O O    . HOH   E 3 .   ? -5.671  19.322  16.705  1   55.531  ? 371 HOH   A O    1 ? ? 
HETATM 3869 O O    . HOH   E 3 .   ? -12.965 19.898  41.278  1   54.398  ? 372 HOH   A O    1 ? ? 
HETATM 3870 O O    . HOH   E 3 .   ? -11.798 12.691  15.03   1   45.759  ? 373 HOH   A O    1 ? ? 
HETATM 3871 O O    . HOH   E 3 .   ? -0.753  9.252   11.737  1   54.744  ? 374 HOH   A O    1 ? ? 
HETATM 3872 O O    . HOH   E 3 .   ? -10.816 21.429  42.467  1   41.484  ? 375 HOH   A O    1 ? ? 
HETATM 3873 O O    . HOH   E 3 .   ? -15.864 9.344   43.492  1   41.546  ? 376 HOH   A O    1 ? ? 
HETATM 3874 O O    . HOH   F 3 .   ? -12.944 -11.1   1.452   1   44.843  ? 301 HOH   B O    1 ? ? 
HETATM 3875 O O    . HOH   F 3 .   ? -6.231  10.599  -6.634  1   56.927  ? 302 HOH   B O    1 ? ? 
HETATM 3876 O O    . HOH   F 3 .   ? -3.025  -0.251  -0.655  1   41.841  ? 303 HOH   B O    1 ? ? 
HETATM 3877 O O    . HOH   F 3 .   ? -13.858 -5.53   19.018  1   35.615  ? 304 HOH   B O    1 ? ? 
HETATM 3878 O O    . HOH   F 3 .   ? -7.13   -5.298  11.229  1   28.836  ? 305 HOH   B O    1 ? ? 
HETATM 3879 O O    . HOH   F 3 .   ? -19.296 -8.436  -6.446  1   48.364  ? 306 HOH   B O    1 ? ? 
HETATM 3880 O O    . HOH   F 3 .   ? -6.638  2.288   -8.704  1   37.567  ? 307 HOH   B O    1 ? ? 
HETATM 3881 O O    . HOH   F 3 .   ? -4.809  -4.274  -5.096  1   38.608  ? 308 HOH   B O    1 ? ? 
HETATM 3882 O O    . HOH   F 3 .   ? -35.105 -4.516  -4.366  1   45.767  ? 309 HOH   B O    1 ? ? 
HETATM 3883 O O    . HOH   F 3 .   ? -8.413  4.06    8.164   1   32.606  ? 310 HOH   B O    1 ? ? 
HETATM 3884 O O    . HOH   F 3 .   ? -8.124  -7.427  -3.936  1   41.374  ? 311 HOH   B O    1 ? ? 
HETATM 3885 O O    . HOH   F 3 .   ? -6.712  7.431   0.066   1   32.881  ? 312 HOH   B O    1 ? ? 
HETATM 3886 O O    . HOH   F 3 .   ? -15.943 9       -1.233  1   33.834  ? 313 HOH   B O    1 ? ? 
HETATM 3887 O O    . HOH   F 3 .   ? -1.799  -4.197  -2.438  1   42.49   ? 314 HOH   B O    1 ? ? 
HETATM 3888 O O    . HOH   F 3 .   ? -19.149 7.99    10.629  1   31.972  ? 315 HOH   B O    1 ? ? 
HETATM 3889 O O    . HOH   F 3 .   ? -14.263 6.891   16      1   33.318  ? 316 HOH   B O    1 ? ? 
HETATM 3890 O O    . HOH   F 3 .   ? -9.002  -4.513  9.184   1   27.264  ? 317 HOH   B O    1 ? ? 
HETATM 3891 O O    . HOH   F 3 .   ? -25.557 -6.81   12.923  1   56.413  ? 318 HOH   B O    1 ? ? 
HETATM 3892 O O    . HOH   F 3 .   ? -9.352  -3.353  -1.474  1   34.559  ? 319 HOH   B O    1 ? ? 
HETATM 3893 O O    . HOH   F 3 .   ? -4.014  -11.757 10.983  1   39.557  ? 320 HOH   B O    1 ? ? 
HETATM 3894 O O    . HOH   F 3 .   ? -8.027  -0.365  14.716  1   33.404  ? 321 HOH   B O    1 ? ? 
HETATM 3895 O O    . HOH   F 3 .   ? -10.775 2.831   9.615   1   23.019  ? 322 HOH   B O    1 ? ? 
HETATM 3896 O O    . HOH   F 3 .   ? -13.144 5.577   11.897  1   26.572  ? 323 HOH   B O    1 ? ? 
HETATM 3897 O O    . HOH   F 3 .   ? -8.066  -6.118  -10.892 1   39.333  ? 324 HOH   B O    1 ? ? 
HETATM 3898 O O    . HOH   F 3 .   ? -9.99   8.198   0.038   1   41.074  ? 325 HOH   B O    1 ? ? 
HETATM 3899 O O    . HOH   F 3 .   ? -3.447  -5.853  18.622  1   39.71   ? 326 HOH   B O    1 ? ? 
HETATM 3900 O O    . HOH   F 3 .   ? -6.64   -7.048  0.475   1   34.357  ? 327 HOH   B O    1 ? ? 
HETATM 3901 O O    . HOH   F 3 .   ? -11.148 2.442   -10.725 1   41.876  ? 328 HOH   B O    1 ? ? 
HETATM 3902 O O    . HOH   F 3 .   ? -23.454 -3.052  13.606  1   53.275  ? 329 HOH   B O    1 ? ? 
HETATM 3903 O O    . HOH   F 3 .   ? -21.104 -6.661  -11.332 1   49.569  ? 330 HOH   B O    1 ? ? 
HETATM 3904 O O    . HOH   F 3 .   ? -33.828 -4.685  -0.62   1   47.681  ? 331 HOH   B O    1 ? ? 
HETATM 3905 O O    . HOH   F 3 .   ? -16.674 -5.11   19.113  1   31.913  ? 332 HOH   B O    1 ? ? 
HETATM 3906 O O    . HOH   F 3 .   ? -4.319  0.271   1.772   1   32.398  ? 333 HOH   B O    1 ? ? 
HETATM 3907 O O    . HOH   F 3 .   ? -28.893 -3.795  12.612  1   69.258  ? 334 HOH   B O    1 ? ? 
HETATM 3908 O O    . HOH   F 3 .   ? -7.883  -0.008  -9.712  1   34.521  ? 335 HOH   B O    1 ? ? 
HETATM 3909 O O    . HOH   F 3 .   ? -29.678 -8.972  15.324  1   61.389  ? 336 HOH   B O    1 ? ? 
HETATM 3910 O O    . HOH   F 3 .   ? -14.382 -14.626 -3.769  1   47.211  ? 337 HOH   B O    1 ? ? 
HETATM 3911 O O    . HOH   F 3 .   ? -34.234 11.284  5.106   1   70.079  ? 338 HOH   B O    1 ? ? 
HETATM 3912 O O    . HOH   F 3 .   ? -18.175 -7.006  19.903  1   38.762  ? 339 HOH   B O    1 ? ? 
HETATM 3913 O O    . HOH   F 3 .   ? -17.576 -0.951  -10.746 1   51.31   ? 340 HOH   B O    1 ? ? 
HETATM 3914 O O    . HOH   F 3 .   ? -35.677 9.382   7.405   1   58.932  ? 341 HOH   B O    1 ? ? 
HETATM 3915 O O    . HOH   F 3 .   ? -9.145  -11.81  8.26    1   36.481  ? 342 HOH   B O    1 ? ? 
HETATM 3916 O O    . HOH   F 3 .   ? -3.038  2.466   2.978   1   39.538  ? 343 HOH   B O    1 ? ? 
HETATM 3917 O O    . HOH   F 3 .   ? -25.226 3.72    -9.294  1   40.195  ? 344 HOH   B O    1 ? ? 
HETATM 3918 O O    . HOH   F 3 .   ? -1.599  -2.77   0       0.5 42.384  ? 345 HOH   B O    1 ? ? 
HETATM 3919 O O    . HOH   F 3 .   ? -13.041 8.89    5.563   1   45.469  ? 346 HOH   B O    1 ? ? 
HETATM 3920 O O    . HOH   F 3 .   ? -27.114 1.246   15.003  1   46.985  ? 347 HOH   B O    1 ? ? 
HETATM 3921 O O    . HOH   F 3 .   ? -13.049 11.25   8.773   1   47.948  ? 348 HOH   B O    1 ? ? 
HETATM 3922 O O    . HOH   F 3 .   ? -15.575 -11.834 19.719  1   49.338  ? 349 HOH   B O    1 ? ? 
HETATM 3923 O O    . HOH   F 3 .   ? -22.477 2.201   15.213  1   46.337  ? 350 HOH   B O    1 ? ? 
HETATM 3924 O O    . HOH   F 3 .   ? -36.554 -2.913  -2.423  1   43.986  ? 351 HOH   B O    1 ? ? 
HETATM 3925 O O    . HOH   F 3 .   ? -8.061  -5.651  -1.852  1   40.949  ? 352 HOH   B O    1 ? ? 
HETATM 3926 O O    . HOH   F 3 .   ? -32.266 -7.571  -0.686  1   44.727  ? 353 HOH   B O    1 ? ? 
HETATM 3927 O O    . HOH   F 3 .   ? -14.294 2.264   -12.239 1   55.069  ? 354 HOH   B O    1 ? ? 
HETATM 3928 O O    . HOH   F 3 .   ? -7.146  -9.685  -0.66   1   39.536  ? 355 HOH   B O    1 ? ? 
HETATM 3929 O O    . HOH   F 3 .   ? -3.239  1.829   9.743   1   42.531  ? 356 HOH   B O    1 ? ? 
HETATM 3930 O O    . HOH   F 3 .   ? -34.204 -2.929  -8.740  1   47.79   ? 357 HOH   B 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    . THR   A 5   ? 1.00685  0.606955 0.560939 0.170414    -0.214586   -0.0010754  17  THR   A N    
2    C CA   . THR   A 5   ? 0.912076 0.532536 0.491126 0.142084    -0.181909   -0.00255372 17  THR   A CA   
3    C C    . THR   A 5   ? 0.931282 0.525096 0.500739 0.134916    -0.160023   0.00793525  17  THR   A C    
4    O O    . THR   A 5   ? 0.999036 0.571389 0.56369  0.153052    -0.170037   0.0126839   17  THR   A O    
5    C CB   . THR   A 5   ? 0.923316 0.607918 0.582294 0.134957    -0.181223   -0.0164425  17  THR   A CB   
6    O OG1  . THR   A 5   ? 0.906156 0.612173 0.612166 0.143816    -0.181496   -0.0171173  17  THR   A OG1  
7    C CG2  . THR   A 5   ? 0.881243 0.594957 0.561938 0.142675    -0.206515   -0.0294851  17  THR   A CG2  
8    H H    . THR   A 5   ? 0.997628 0.610325 0.551749 0.173456    -0.227988   -0.00767162 17  THR   A H    
9    H HA   . THR   A 5   ? 0.953836 0.560926 0.500345 0.131369    -0.17386    -0.00128161 17  THR   A HA   
10   H HB   . THR   A 5   ? 0.876326 0.568927 0.541345 0.11758     -0.162214   -0.0168603  17  THR   A HB   
12   H HG21 . THR   A 5   ? 0.847849 0.597024 0.576133 0.134392    -0.202451   -0.0367221  17  THR   A HG21 
13   H HG22 . THR   A 5   ? 0.911832 0.62521  0.594732 0.160077    -0.226763   -0.0306275  17  THR   A HG22 
14   H HG23 . THR   A 5   ? 0.916851 0.613828 0.561362 0.138391    -0.20679    -0.0300301  17  THR   A HG23 
15   N N    . VAL   A 6   ? 0.87098  0.467049 0.438406 0.108812    -0.131036   0.00976021  18  VAL   A N    
16   C CA   . VAL   A 6   ? 0.865105 0.441815 0.427679 0.0956757   -0.108202   0.0166598   18  VAL   A CA   
17   C C    . VAL   A 6   ? 0.790569 0.419546 0.418703 0.0827771   -0.0938471  0.00792336  18  VAL   A C    
18   O O    . VAL   A 6   ? 0.76103  0.431226 0.424482 0.0760347   -0.0935481  -0.00033719 18  VAL   A O    
19   C CB   . VAL   A 6   ? 0.915247 0.451187 0.419188 0.073814    -0.0858672  0.0263041   18  VAL   A CB   
20   C CG1  . VAL   A 6   ? 0.96729  0.442795 0.395739 0.0845341   -0.0972857  0.0384836   18  VAL   A CG1  
21   C CG2  . VAL   A 6   ? 0.895285 0.46502  0.411946 0.0532312   -0.0694268  0.0191718   18  VAL   A CG2  
22   H H    . VAL   A 6   ? 0.864559 0.476299 0.435104 0.0990281   -0.126108   0.0053074   18  VAL   A H    
23   H HA   . VAL   A 6   ? 0.891342 0.446979 0.445979 0.109264    -0.116554   0.0204105   18  VAL   A HA   
24   H HB   . VAL   A 6   ? 0.908259 0.432897 0.413587 0.0650796   -0.0729301  0.0294764   18  VAL   A HB   
25   H HG11 . VAL   A 6   ? 0.982437 0.467731 0.406403 0.0943143   -0.111957   0.0347659   18  VAL   A HG11 
26   H HG12 . VAL   A 6   ? 1.00196  0.45207  0.420749 0.0981239   -0.106999   0.0434662   18  VAL   A HG12 
27   H HG13 . VAL   A 6   ? 1.00332  0.455132 0.396618 0.0681444   -0.0804014  0.0448251   18  VAL   A HG13 
28   H HG21 . VAL   A 6   ? 0.92149  0.467316 0.401229 0.0402927   -0.0552179  0.024853    18  VAL   A HG21 
29   H HG22 . VAL   A 6   ? 0.844477 0.445742 0.402646 0.0452702   -0.060681   0.0137218   18  VAL   A HG22 
30   H HG23 . VAL   A 6   ? 0.889102 0.472305 0.408788 0.0613795   -0.0820633  0.0139257   18  VAL   A HG23 
31   N N    . THR   A 7   ? 0.787095 0.409582 0.426648 0.0788998   -0.0815815  0.00998273  19  THR   A N    
32   C CA   . THR   A 7   ? 0.789855 0.457313 0.483314 0.0672802   -0.0681157  0.00317553  19  THR   A CA   
33   C C    . THR   A 7   ? 0.727857 0.412758 0.423389 0.0430721   -0.0499249  0.00173712  19  THR   A C    
34   O O    . THR   A 7   ? 0.700632 0.42892  0.438709 0.0381764   -0.048684   -0.0047871  19  THR   A O    
35   C CB   . THR   A 7   ? 0.813955 0.463869 0.506982 0.0667564   -0.0578795  0.00462381  19  THR   A CB   
36   O OG1  . THR   A 7   ? 0.861683 0.496203 0.554299 0.0928923   -0.0750992  0.00430477  19  THR   A OG1  
37   C CG2  . THR   A 7   ? 0.788885 0.482571 0.529686 0.0549859   -0.0442656  -0.00181518 19  THR   A CG2  
38   H H    . THR   A 7   ? 0.836271 0.423453 0.446877 0.0838886   -0.0821483  0.0156898   19  THR   A H    
39   H HA   . THR   A 7   ? 0.745105 0.443643 0.474119 0.0760271   -0.0779795  -0.00223005 19  THR   A HA   
40   H HB   . THR   A 7   ? 0.850552 0.467667 0.508367 0.0562834   -0.0483762  0.00982063  19  THR   A HB   
42   H HG21 . THR   A 7   ? 0.78851  0.470002 0.526821 0.0569458   -0.0396854  -0.00237111 19  THR   A HG21 
43   H HG22 . THR   A 7   ? 0.750525 0.47665  0.525382 0.0620418   -0.0513737  -0.0059327  19  THR   A HG22 
44   H HG23 . THR   A 7   ? 0.765929 0.466891 0.504794 0.0386038   -0.0332542  -0.00151344 19  THR   A HG23 
45   N N    . GLU   A 8   ? 0.722542 0.373376 0.372775 0.0278132   -0.0353491  0.00777954  20  GLU   A N    
46   C CA   . GLU   A 8   ? 0.723105 0.395469 0.380646 0.0051246   -0.0159091  0.00474069  20  GLU   A CA   
47   C C    . GLU   A 8   ? 0.68407  0.363872 0.327114 0.00466858  -0.0185386  0.00173087  20  GLU   A C    
48   O O    . GLU   A 8   ? 0.712949 0.376814 0.320451 -0.00949023 -0.00382907 0.00403715  20  GLU   A O    
49   C CB   . GLU   A 8   ? 0.710402 0.350728 0.33339  -0.0150494  0.00395596  0.0103956   20  GLU   A CB   
50   C CG   . GLU   A 8   ? 0.734399 0.358998 0.363878 -0.0145086  0.00583949  0.0114299   20  GLU   A CG   
51   C CD   . GLU   A 8   ? 0.72602  0.400695 0.411668 -0.0164246  0.00823132  0.00297862  20  GLU   A CD   
52   O OE1  . GLU   A 8   ? 0.705319 0.418438 0.417505 -0.0292848  0.0170973   -0.00191601 20  GLU   A OE1  
53   O OE2  . GLU   A 8   ? 0.732641 0.406803 0.434196 -0.00353797 0.00120076  0.00125052  20  GLU   A OE2  
54   H H    . GLU   A 8   ? 0.779178 0.393423 0.394329 0.0315481   -0.0373724  0.0137952   20  GLU   A H    
55   H HA   . GLU   A 8   ? 0.65984  0.365037 0.356151 0.0027026   -0.0136672  -0.0002046  20  GLU   A HA   
56   H HB2  . GLU   A 8   ? 0.769431 0.376267 0.351397 -0.0151023  0.00388517  0.0164501   20  GLU   A HB2  
57   H HB3  . GLU   A 8   ? 0.706119 0.368951 0.342266 -0.0292939  0.0161626   0.00667335  20  GLU   A HB3  
58   H HG2  . GLU   A 8   ? 0.762265 0.366103 0.381248 0.00168543  -0.00642535 0.0141835   20  GLU   A HG2  
59   H HG3  . GLU   A 8   ? 0.767564 0.368472 0.373308 -0.0289555  0.0177179   0.0145358   20  GLU   A HG3  
60   N N    . GLN   A 9   ? 0.675243 0.380899 0.346941 0.0189539   -0.036176   -0.00484123 21  GLN   A N    
61   C CA   . GLN   A 9   ? 0.719118 0.434574 0.382373 0.0199999   -0.0408614  -0.0114593  21  GLN   A CA   
62   C C    . GLN   A 9   ? 0.652407 0.412969 0.36494  0.0118205   -0.0337022  -0.0209852  21  GLN   A C    
63   O O    . GLN   A 9   ? 0.609693 0.396108 0.366291 0.0101013   -0.032328   -0.0216083  21  GLN   A O    
64   C CB   . GLN   A 9   ? 0.768056 0.484726 0.437116 0.0404625   -0.0682943  -0.0152625  21  GLN   A CB   
65   C CG   . GLN   A 9   ? 0.700049 0.449507 0.428144 0.0486633   -0.079195   -0.0187475  21  GLN   A CG   
66   C CD   . GLN   A 9   ? 0.797781 0.55956  0.5426   0.0648817   -0.105509   -0.0256951  21  GLN   A CD   
67   O OE1  . GLN   A 9   ? 0.791525 0.531894 0.498165 0.0738601   -0.119947   -0.0272798  21  GLN   A OE1  
68   N NE2  . GLN   A 9   ? 0.801759 0.598606 0.602834 0.0679559   -0.111772   -0.0298487  21  GLN   A NE2  
69   H H    . GLN   A 9   ? 0.661852 0.380237 0.360224 0.0274843   -0.0449405  -0.0061985  21  GLN   A H    
70   H HA   . GLN   A 9   ? 0.749061 0.44305  0.373772 0.0135574   -0.0322177  -0.00848189 21  GLN   A HA   
71   H HB2  . GLN   A 9   ? 0.753502 0.478978 0.42109  0.0405849   -0.072111   -0.0217473  21  GLN   A HB2  
72   H HB3  . GLN   A 9   ? 0.792632 0.479489 0.426855 0.0483844   -0.0756135  -0.00950549 21  GLN   A HB3  
73   H HG2  . GLN   A 9   ? 0.728604 0.467465 0.454852 0.0517371   -0.0774077  -0.0135676  21  GLN   A HG2  
74   H HG3  . GLN   A 9   ? 0.689895 0.464235 0.448518 0.0398964   -0.0705109  -0.0220913  21  GLN   A HG3  
75   H HE21 . GLN   A 9   ? 0.786063 0.594937 0.603709 0.0754858   -0.126665   -0.0348435  21  GLN   A HE21 
76   H HE22 . GLN   A 9   ? 0.761077 0.56984  0.582744 0.061853    -0.100844   -0.0277528  21  GLN   A HE22 
77   N N    . GLY   A 10  ? 0.58868  0.355867 0.290849 0.00952291  -0.0313167  -0.0286353  22  GLY   A N    
78   C CA   . GLY   A 10  ? 0.509023 0.311585 0.25105  0.00454694  -0.0256137  -0.0381869  22  GLY   A CA   
79   C C    . GLY   A 10  ? 0.529963 0.337729 0.256959 -0.00973869 -0.00216246 -0.040498   22  GLY   A C    
80   O O    . GLY   A 10  ? 0.598883 0.384834 0.28959  -0.0199896  0.0119368   -0.0333891  22  GLY   A O    
81   H H    . GLY   A 10  ? 0.629688 0.376723 0.296432 0.0121612   -0.0335983  -0.028049   22  GLY   A H    
82   H HA2  . GLY   A 10  ? 0.524445 0.330572 0.26958  0.0115624   -0.0364973  -0.0450054  22  GLY   A HA2  
83   H HA3  . GLY   A 10  ? 0.489988 0.309828 0.26613  0.00379356  -0.0265431  -0.0369069  22  GLY   A HA3  
84   N N    . GLU   A 11  ? 0.524866 0.360594 0.279785 -0.00999465 0.00143724  -0.051254   23  GLU   A N    
85   C CA   . GLU   A 11  ? 0.509373 0.361962 0.262705 -0.0204645  0.022419    -0.0573992  23  GLU   A CA   
86   C C    . GLU   A 11  ? 0.490054 0.363519 0.27399  -0.0318185  0.0335874   -0.0525817  23  GLU   A C    
87   O O    . GLU   A 11  ? 0.443745 0.335169 0.267374 -0.0276785  0.0247984   -0.0515205  23  GLU   A O    
88   C CB   . GLU   A 11  ? 0.505234 0.378712 0.28103  -0.011758   0.0183803   -0.0720899  23  GLU   A CB   
89   C CG   . GLU   A 11  ? 0.571504 0.465817 0.344963 -0.0187276  0.0402969   -0.0818432  23  GLU   A CG   
90   C CD   . GLU   A 11  ? 0.624469 0.538153 0.424909 -0.00662205 0.0350287   -0.0978031  23  GLU   A CD   
91   O OE1  . GLU   A 11  ? 0.714515 0.618685 0.526469 0.00465661  0.0149095   -0.101362   23  GLU   A OE1  
92   O OE2  . GLU   A 11  ? 0.728925 0.66943  0.545099 -0.00886159 0.0507255   -0.106904   23  GLU   A OE2  
93   H H    . GLU   A 11  ? 0.499607 0.344727 0.277298 -0.00282908 -0.0101275  -0.0554116  23  GLU   A H    
94   H HA   . GLU   A 11  ? 0.550801 0.38631  0.267153 -0.0255022  0.0313222   -0.0555699  23  GLU   A HA   
95   H HB2  . GLU   A 11  ? 0.536631 0.395468 0.29418  -0.00416666 0.00794237  -0.0757245  23  GLU   A HB2  
96   H HB3  . GLU   A 11  ? 0.486318 0.374225 0.29727  -0.00839835 0.0109949   -0.0723701  23  GLU   A HB3  
97   H HG2  . GLU   A 11  ? 0.55401  0.463951 0.345036 -0.0271164  0.049846    -0.0785462  23  GLU   A HG2  
98   H HG3  . GLU   A 11  ? 0.604282 0.483958 0.340725 -0.0227071  0.0488035   -0.0817809  23  GLU   A HG3  
99   N N    . ASP   A 12  ? 0.543291 0.415686 0.308034 -0.0475128  0.0535974   -0.0505612  24  ASP   A N    
100  C CA   . ASP   A 12  ? 0.508387 0.405774 0.303934 -0.0591991  0.0632131   -0.0497767  24  ASP   A CA   
101  C C    . ASP   A 12  ? 0.502789 0.442641 0.339189 -0.0556422  0.0664695   -0.0614852  24  ASP   A C    
102  O O    . ASP   A 12  ? 0.497941 0.451769 0.327733 -0.0585015  0.0798377   -0.0709921  24  ASP   A O    
103  C CB   . ASP   A 12  ? 0.56369  0.447426 0.32868  -0.0793304  0.083027    -0.0457015  24  ASP   A CB   
104  C CG   . ASP   A 12  ? 0.521193 0.430526 0.315799 -0.0944167  0.0923186   -0.0468151  24  ASP   A CG   
105  O OD1  . ASP   A 12  ? 0.465554 0.403345 0.301444 -0.0869786  0.0826884   -0.0499551  24  ASP   A OD1  
106  O OD2  . ASP   A 12  ? 0.544624 0.442012 0.316152 -0.114615   0.109241    -0.0442911  24  ASP   A OD2  
107  H H    . ASP   A 12  ? 0.564939 0.421091 0.29696  -0.0516494  0.0609839   -0.0498045  24  ASP   A H    
108  H HA   . ASP   A 12  ? 0.50027  0.394376 0.308818 -0.0559066  0.0539675   -0.0446036  24  ASP   A HA   
109  H HB2  . ASP   A 12  ? 0.577141 0.428563 0.313445 -0.079363   0.0793301   -0.0376823  24  ASP   A HB2  
110  H HB3  . ASP   A 12  ? 0.572787 0.461008 0.323958 -0.083372   0.0939332   -0.0505694  24  ASP   A HB3  
111  N N    . ILE   A 13  ? 0.439106 0.398114 0.315447 -0.0481401  0.054565    -0.0607994  25  ILE   A N    
112  C CA   . ILE   A 13  ? 0.423383 0.417084 0.337241 -0.0409695  0.0539915   -0.0705276  25  ILE   A CA   
113  C C    . ILE   A 13  ? 0.396807 0.422329 0.338876 -0.0502067  0.0607227   -0.0709034  25  ILE   A C    
114  O O    . ILE   A 13  ? 0.426915 0.481058 0.402972 -0.0420272  0.0563134   -0.0765481  25  ILE   A O    
115  C CB   . ILE   A 13  ? 0.368153 0.357761 0.304098 -0.0248953  0.0345967   -0.0697765  25  ILE   A CB   
116  C CG1  . ILE   A 13  ? 0.373496 0.356143 0.321433 -0.0257411  0.0239901   -0.0571368  25  ILE   A CG1  
117  C CG2  . ILE   A 13  ? 0.426267 0.390668 0.337559 -0.0166495  0.0270951   -0.0739118  25  ILE   A CG2  
118  C CD1  . ILE   A 13  ? 0.354539 0.340347 0.331032 -0.0144849  0.00904479  -0.0555914  25  ILE   A CD1  
119  H H    . ILE   A 13  ? 0.437252 0.386877 0.316423 -0.0469099  0.0469582   -0.0540531  25  ILE   A H    
120  H HA   . ILE   A 13  ? 0.429356 0.428217 0.334858 -0.0402539  0.0618014   -0.078498   25  ILE   A HA   
121  H HB   . ILE   A 13  ? 0.375965 0.384432 0.334621 -0.0194724  0.0338854   -0.0754795  25  ILE   A HB   
122  H HG12 . ILE   A 13  ? 0.378217 0.341027 0.306302 -0.0271884  0.0219456   -0.0526561  25  ILE   A HG12 
123  H HG13 . ILE   A 13  ? 0.358183 0.353569 0.313826 -0.0325634  0.0294364   -0.0548161  25  ILE   A HG13 
124  H HG21 . ILE   A 13  ? 0.406146 0.369244 0.333902 -0.00831427 0.0154809   -0.0751091  25  ILE   A HG21 
125  H HG22 . ILE   A 13  ? 0.426441 0.371788 0.316179 -0.0197629  0.0252446   -0.0676905  25  ILE   A HG22 
126  H HG23 . ILE   A 13  ? 0.432122 0.400239 0.331802 -0.0163908  0.0353181   -0.0821528  25  ILE   A HG23 
127  H HD11 . ILE   A 13  ? 0.349739 0.351155 0.343255 -0.0109046  0.00981842  -0.060073   25  ILE   A HD11 
128  H HD12 . ILE   A 13  ? 0.343282 0.328647 0.327524 -0.0162639  0.0052665   -0.047736   25  ILE   A HD12 
129  H HD13 . ILE   A 13  ? 0.364781 0.336874 0.33449  -0.00917984 0.00233809  -0.0581901  25  ILE   A HD13 
130  N N    . THR   A 14  ? 0.426087 0.445519 0.353602 -0.0668332  0.0699737   -0.0656322  26  THR   A N    
131  C CA   . THR   A 14  ? 0.422646 0.474174 0.375404 -0.0781779  0.0758125   -0.0686641  26  THR   A CA   
132  C C    . THR   A 14  ? 0.419358 0.504713 0.383493 -0.086788   0.0928474   -0.0813279  26  THR   A C    
133  O O    . THR   A 14  ? 0.413994 0.487566 0.351876 -0.0919148  0.106099    -0.0844483  26  THR   A O    
134  C CB   . THR   A 14  ? 0.449261 0.479647 0.382005 -0.0944818  0.0795909   -0.0610944  26  THR   A CB   
135  O OG1  . THR   A 14  ? 0.48918  0.494113 0.385059 -0.108987   0.0946526   -0.0599059  26  THR   A OG1  
136  C CG2  . THR   A 14  ? 0.422651 0.423337 0.345331 -0.0849468  0.0652584   -0.0504788  26  THR   A CG2  
137  H H    . THR   A 14  ? 0.441197 0.435112 0.34213  -0.0711843  0.0718357   -0.0605814  26  THR   A H    
138  H HA   . THR   A 14  ? 0.400184 0.466125 0.376678 -0.0692537  0.0656749   -0.0682625  26  THR   A HA   
139  H HB   . THR   A 14  ? 0.434564 0.487661 0.385518 -0.101883   0.0813679   -0.0644087  26  THR   A HB   
141  H HG21 . THR   A 14  ? 0.438343 0.425113 0.347913 -0.0941664  0.0683081   -0.0474459  26  THR   A HG21 
142  H HG22 . THR   A 14  ? 0.43715  0.417851 0.344329 -0.077575   0.0619185   -0.047874   26  THR   A HG22 
143  H HG23 . THR   A 14  ? 0.406664 0.422669 0.351504 -0.0769559  0.0564835   -0.0498755  26  THR   A HG23 
144  N N    . SER   A 15  ? 0.493742 0.622434 0.495549 -0.0893368  0.0930564   -0.0886355  27  SER   A N    
145  C CA   . SER   A 15  ? 0.556746 0.72775  0.578518 -0.0983222  0.109815    -0.102607   27  SER   A CA   
146  C C    . SER   A 15  ? 0.523815 0.689453 0.524333 -0.127616   0.129858    -0.102206   27  SER   A C    
147  O O    . SER   A 15  ? 0.457495 0.63768  0.451883 -0.139234   0.150545    -0.110041   27  SER   A O    
148  C CB   . SER   A 15  ? 0.576984 0.796933 0.647614 -0.0894714  0.0999536   -0.110695   27  SER   A CB   
149  O OG   . SER   A 15  ? 0.5879   0.812084 0.674981 -0.0629004  0.0879549   -0.114228   27  SER   A OG   
150  H H    . SER   A 15  ? 0.463961 0.597764 0.479891 -0.085114   0.0823269   -0.0851624  27  SER   A H    
151  H HA   . SER   A 15  ? 0.549655 0.720022 0.56589  -0.0900651  0.114553    -0.107684   27  SER   A HA   
152  H HB2  . SER   A 15  ? 0.55947  0.774984 0.633123 -0.0916861  0.0900865   -0.104479   27  SER   A HB2  
153  H HB3  . SER   A 15  ? 0.575087 0.827016 0.66202  -0.0991873  0.111196    -0.120075   27  SER   A HB3  
155  N N    . LYS   A 16  ? 0.470561 0.612393 0.457783 -0.139847   0.124468    -0.0931121  28  LYS   A N    
156  C CA   . LYS   A 16  ? 0.502254 0.628778 0.467073 -0.168949   0.140778    -0.0914511  28  LYS   A CA   
157  C C    . LYS   A 16  ? 0.504862 0.57583  0.414618 -0.174438   0.150859    -0.0811252  28  LYS   A C    
158  O O    . LYS   A 16  ? 0.529037 0.58159  0.413525 -0.199346   0.16814     -0.078801   28  LYS   A O    
159  C CB   . LYS   A 16  ? 0.514546 0.626312 0.478995 -0.177263   0.129382    -0.0863995  28  LYS   A CB   
160  C CG   . LYS   A 16  ? 0.570935 0.732334 0.579811 -0.179353   0.120023    -0.0959882  28  LYS   A CG   
161  C CD   . LYS   A 16  ? 0.703102 0.839978 0.69944  -0.186891   0.109509    -0.0911974  28  LYS   A CD   
162  C CE   . LYS   A 16  ? 0.787236 0.963328 0.817403 -0.18199    0.093424    -0.0976328  28  LYS   A CE   
163  N NZ   . LYS   A 16  ? 0.755209 0.98132  0.81785  -0.201963   0.100873    -0.112481   28  LYS   A NZ   
164  H H    . LYS   A 16  ? 0.46813  0.601501 0.459701 -0.130031   0.110464    -0.0880197  28  LYS   A H    
165  H HA   . LYS   A 16  ? 0.502242 0.662515 0.486108 -0.180545   0.152799    -0.100691   28  LYS   A HA   
166  H HB2  . LYS   A 16  ? 0.520611 0.606966 0.472736 -0.163349   0.117564    -0.0786879  28  LYS   A HB2  
167  H HB3  . LYS   A 16  ? 0.553721 0.642545 0.495632 -0.195361   0.139392    -0.0838967  28  LYS   A HB3  
168  H HG2  . LYS   A 16  ? 0.583221 0.773545 0.608151 -0.194082   0.131193    -0.104775   28  LYS   A HG2  
169  H HG3  . LYS   A 16  ? 0.553116 0.734039 0.582412 -0.160766   0.109391    -0.0972669  28  LYS   A HG3  
170  H HD2  . LYS   A 16  ? 0.689699 0.792924 0.664624 -0.17557    0.103109    -0.0821839  28  LYS   A HD2  
171  H HD3  . LYS   A 16  ? 0.717852 0.840488 0.699523 -0.207154   0.120111    -0.0924657  28  LYS   A HD3  
172  H HE2  . LYS   A 16  ? 0.732096 0.922816 0.777284 -0.162913   0.083812    -0.0960554  28  LYS   A HE2  
173  H HE3  . LYS   A 16  ? 0.757639 0.91225  0.773438 -0.183988   0.0868933   -0.0939795  28  LYS   A HE3  
174  H HZ1  . LYS   A 16  ? 0.759885 1.00978  0.838529 -0.19845    0.107256    -0.116883   28  LYS   A HZ1  
175  H HZ2  . LYS   A 16  ? 0.78625  0.997519 0.835128 -0.22176    0.110645    -0.113932   28  LYS   A HZ2  
176  H HZ3  . LYS   A 16  ? 0.75358  1.00272  0.83468  -0.198239   0.0892131   -0.11646    28  LYS   A HZ3  
177  N N    . LYS   A 17  ? 0.481809 0.523987 0.371686 -0.152076   0.138899    -0.0745413  29  LYS   A N    
178  C CA   . LYS   A 17  ? 0.499049 0.488406 0.335126 -0.152743   0.143245    -0.0645773  29  LYS   A CA   
179  C C    . LYS   A 17  ? 0.52362  0.465727 0.327238 -0.165994   0.142391    -0.0530489  29  LYS   A C    
180  O O    . LYS   A 17  ? 0.586038 0.493703 0.348291 -0.182716   0.156955    -0.0469155  29  LYS   A O    
181  C CB   . LYS   A 17  ? 0.564558 0.556991 0.3762   -0.16532    0.166699    -0.0689254  29  LYS   A CB   
182  C CG   . LYS   A 17  ? 0.52234  0.553646 0.357998 -0.149038   0.168375    -0.0819306  29  LYS   A CG   
183  C CD   . LYS   A 17  ? 0.531606 0.546256 0.364894 -0.120416   0.146209    -0.0805967  29  LYS   A CD   
184  H H    . LYS   A 17  ? 0.45707  0.512371 0.367256 -0.136091   0.126686    -0.0762433  29  LYS   A H    
185  H HA   . LYS   A 17  ? 0.497416 0.475971 0.330506 -0.134659   0.130423    -0.0622562  29  LYS   A HA   
186  H HB2  . LYS   A 17  ? 0.563344 0.569732 0.381126 -0.185056   0.180781    -0.0716966  29  LYS   A HB2  
187  H HB3  . LYS   A 17  ? 0.583463 0.536177 0.35429  -0.165382   0.167685    -0.0605753  29  LYS   A HB3  
188  H HG2  . LYS   A 17  ? 0.508662 0.579959 0.383772 -0.149582   0.168837    -0.090356   29  LYS   A HG2  
189  H HG3  . LYS   A 17  ? 0.563448 0.593866 0.378319 -0.157301   0.18472     -0.0844876  29  LYS   A HG3  
192  N N    . ASP   A 18  ? 0.516721 0.453676 0.335615 -0.157019   0.125536    -0.0498723  30  ASP   A N    
193  C CA   . ASP   A 18  ? 0.552313 0.445923 0.344857 -0.165783   0.12301     -0.0418523  30  ASP   A CA   
194  C C    . ASP   A 18  ? 0.582241 0.437774 0.353907 -0.143035   0.105707    -0.0324529  30  ASP   A C    
195  O O    . ASP   A 18  ? 0.576428 0.401642 0.334994 -0.141832   0.099173    -0.0276268  30  ASP   A O    
196  C CB   . ASP   A 18  ? 0.546558 0.467247 0.371868 -0.174715   0.119266    -0.0484127  30  ASP   A CB   
197  C CG   . ASP   A 18  ? 0.486612 0.442246 0.350599 -0.154235   0.102159    -0.0514065  30  ASP   A CG   
198  O OD1  . ASP   A 18  ? 0.468165 0.416876 0.331738 -0.132917   0.0912766   -0.046646   30  ASP   A OD1  
199  O OD2  . ASP   A 18  ? 0.461664 0.451184 0.35516  -0.160835   0.0995343   -0.0585003  30  ASP   A OD2  
200  H H    . ASP   A 18  ? 0.483638 0.443637 0.32922  -0.144507   0.115544    -0.0530123  30  ASP   A H    
201  H HA   . ASP   A 18  ? 0.594212 0.465641 0.360197 -0.181258   0.135424    -0.0391183  30  ASP   A HA   
202  H HB2  . ASP   A 18  ? 0.558652 0.448772 0.365337 -0.179981   0.117807    -0.0446227  30  ASP   A HB2  
203  H HB3  . ASP   A 18  ? 0.542644 0.488071 0.381396 -0.190404   0.129969    -0.0550429  30  ASP   A HB3  
204  N N    . ARG   A 19  ? 0.536317 0.398157 0.309879 -0.12389    0.097315    -0.0321537  31  ARG   A N    
205  C CA   . ARG   A 19  ? 0.511757 0.347483 0.273224 -0.101909   0.0794837   -0.0255837  31  ARG   A CA   
206  C C    . ARG   A 19  ? 0.462233 0.30851  0.252678 -0.091905   0.0663787   -0.0249558  31  ARG   A C    
207  O O    . ARG   A 19  ? 0.493914 0.31694  0.274816 -0.077528   0.054212    -0.0196567  31  ARG   A O    
208  C CB   . ARG   A 19  ? 0.606569 0.386367 0.313848 -0.101352   0.0795493   -0.0159056  31  ARG   A CB   
209  C CG   . ARG   A 19  ? 0.660579 0.437914 0.340627 -0.11196    0.0947368   -0.017054   31  ARG   A CG   
210  C CD   . ARG   A 19  ? 0.761073 0.483487 0.380891 -0.118926   0.101164    -0.00633106 31  ARG   A CD   
211  N NE   . ARG   A 19  ? 0.760422 0.442476 0.35623  -0.0979837  0.0806766   0.0022246   31  ARG   A NE   
212  C CZ   . ARG   A 19  ? 0.791468 0.475303 0.389818 -0.0747505  0.0614362   0.00151483  31  ARG   A CZ   
213  N NH1  . ARG   A 19  ? 0.810965 0.52122  0.418293 -0.0683905  0.0597119   -0.00596181 31  ARG   A NH1  
214  N NH2  . ARG   A 19  ? 0.791117 0.444818 0.377413 -0.0578254  0.0437216   0.00790514  31  ARG   A NH2  
215  H H    . ARG   A 19  ? 0.531208 0.416237 0.315599 -0.124837   0.10285     -0.0375016  31  ARG   A H    
216  H HA   . ARG   A 19  ? 0.508752 0.358966 0.279383 -0.0922381  0.0751225   -0.0286639  31  ARG   A HA   
217  H HB2  . ARG   A 19  ? 0.62055  0.379129 0.314692 -0.110432   0.0836762   -0.0125513  31  ARG   A HB2  
218  H HB3  . ARG   A 19  ? 0.601018 0.369151 0.304178 -0.0852841  0.0661837   -0.0130416  31  ARG   A HB3  
219  H HG2  . ARG   A 19  ? 0.650125 0.441482 0.337694 -0.100186   0.0885175   -0.0207314  31  ARG   A HG2  
220  H HG3  . ARG   A 19  ? 0.653412 0.455545 0.349844 -0.126177   0.107404    -0.0224562  31  ARG   A HG3  
221  H HD2  . ARG   A 19  ? 0.767248 0.490969 0.369309 -0.121573   0.108876    -0.00734759 31  ARG   A HD2  
222  H HD3  . ARG   A 19  ? 0.765721 0.476402 0.377459 -0.13565    0.112102    -0.00411416 31  ARG   A HD3  
223  H HE   . ARG   A 19  ? 0.797172 0.450708 0.375822 -0.101216   0.0806854   0.00784312  31  ARG   A HE   
224  H HH11 . ARG   A 19  ? 0.804834 0.527346 0.408956 -0.0785988  0.0727605   -0.00956876 31  ARG   A HH11 
225  H HH12 . ARG   A 19  ? 0.786799 0.50261  0.403942 -0.0540325  0.0456367   -0.00814082 31  ARG   A HH12 
226  H HH21 . ARG   A 19  ? 0.810654 0.441846 0.386208 -0.0609698  0.045164    0.012427    31  ARG   A HH21 
227  H HH22 . ARG   A 19  ? 0.789494 0.445939 0.379213 -0.0429532  0.0300848   0.00689922  31  ARG   A HH22 
228  N N    . GLY   A 20  ? 0.46286  0.349568 0.290935 -0.0968294  0.0678612   -0.0310899  32  GLY   A N    
229  C CA   . GLY   A 20  ? 0.438678 0.338878 0.291477 -0.0889093  0.0577081   -0.0303229  32  GLY   A CA   
230  C C    . GLY   A 20  ? 0.46213  0.375757 0.337367 -0.069829   0.0441225   -0.0281276  32  GLY   A C    
231  O O    . GLY   A 20  ? 0.431445 0.347916 0.319352 -0.0623768  0.0367785   -0.0250599  32  GLY   A O    
232  H H    . GLY   A 20  ? 0.451469 0.358789 0.289254 -0.104794   0.075433    -0.035961   32  GLY   A H    
233  H HA2  . GLY   A 20  ? 0.46372  0.340027 0.300453 -0.089518   0.0568962   -0.0273926  32  GLY   A HA2  
234  H HA3  . GLY   A 20  ? 0.435441 0.359407 0.305715 -0.0966564  0.0610177   -0.0345663  32  GLY   A HA3  
235  N N    . VAL   A 21  ? 0.387438 0.312334 0.269807 -0.0637489  0.0422468   -0.0310354  33  VAL   A N    
236  C CA   . VAL   A 21  ? 0.397231 0.330229 0.299698 -0.048479   0.029266    -0.0299829  33  VAL   A CA   
237  C C    . VAL   A 21  ? 0.424868 0.339152 0.305213 -0.042269   0.0263866   -0.0321901  33  VAL   A C    
238  O O    . VAL   A 21  ? 0.405855 0.328139 0.279954 -0.0469043  0.0349643   -0.0384221  33  VAL   A O    
239  C CB   . VAL   A 21  ? 0.350618 0.317797 0.287997 -0.0460843  0.0271116   -0.0335251  33  VAL   A CB   
240  C CG1  . VAL   A 21  ? 0.363241 0.332403 0.320108 -0.0328662  0.0140365   -0.0318187  33  VAL   A CG1  
241  C CG2  . VAL   A 21  ? 0.377831 0.364219 0.331449 -0.0519912  0.0286175   -0.0315705  33  VAL   A CG2  
242  H H    . VAL   A 21  ? 0.420898 0.347971 0.295073 -0.0701491  0.0499028   -0.0344445  33  VAL   A H    
243  H HA   . VAL   A 21  ? 0.384404 0.310599 0.289582 -0.0436288  0.0234593   -0.0258296  33  VAL   A HA   
244  H HB   . VAL   A 21  ? 0.371854 0.347621 0.308238 -0.0491688  0.0329949   -0.0390855  33  VAL   A HB   
245  H HG11 . VAL   A 21  ? 0.351619 0.314213 0.310315 -0.0303509  0.00940862  -0.0267917  33  VAL   A HG11 
246  H HG12 . VAL   A 21  ? 0.366316 0.326097 0.313986 -0.0290578  0.0119374   -0.0352264  33  VAL   A HG12 
247  H HG13 . VAL   A 21  ? 0.342685 0.328652 0.319079 -0.0309713  0.0123024   -0.032746   33  VAL   A HG13 
248  H HG21 . VAL   A 21  ? 0.350927 0.356309 0.324339 -0.0483447  0.025352    -0.0327812  33  VAL   A HG21 
249  H HG22 . VAL   A 21  ? 0.373373 0.360725 0.317778 -0.0619794  0.0363981   -0.0343555  33  VAL   A HG22 
250  H HG23 . VAL   A 21  ? 0.361473 0.33995  0.314104 -0.0493378  0.0247989   -0.0267622  33  VAL   A HG23 
251  N N    . LEU   A 22  ? 0.401897 0.295073 0.271454 -0.0317084  0.0146379   -0.0283605  34  LEU   A N    
252  C CA   . LEU   A 22  ? 0.448345 0.323197 0.294778 -0.0239686  0.00752934  -0.0307884  34  LEU   A CA   
253  C C    . LEU   A 22  ? 0.397739 0.285334 0.272469 -0.0122625  -0.0083371  -0.0343305  34  LEU   A C    
254  O O    . LEU   A 22  ? 0.405683 0.29927  0.302714 -0.00720777 -0.0171307  -0.0305114  34  LEU   A O    
255  C CB   . LEU   A 22  ? 0.473683 0.311731 0.281181 -0.0207443  0.00410794  -0.0245182  34  LEU   A CB   
256  C CG   . LEU   A 22  ? 0.536644 0.353245 0.313975 -0.0347614  0.0196817   -0.0197309  34  LEU   A CG   
257  C CD1  . LEU   A 22  ? 0.629033 0.4019   0.366111 -0.0288164  0.0140607   -0.0121983  34  LEU   A CD1  
258  C CD2  . LEU   A 22  ? 0.57738  0.398698 0.337441 -0.047986   0.035732    -0.0240107  34  LEU   A CD2  
259  H H    . LEU   A 22  ? 0.406878 0.29866  0.284203 -0.0287726  0.0104512   -0.0247721  34  LEU   A H    
260  H HA   . LEU   A 22  ? 0.445787 0.32364  0.282319 -0.0287723  0.015449    -0.0350495  34  LEU   A HA   
261  H HB2  . LEU   A 22  ? 0.475316 0.313053 0.295229 -0.0133393  -0.00484001 -0.0220179  34  LEU   A HB2  
262  H HB3  . LEU   A 22  ? 0.505306 0.3312   0.293156 -0.0158971  -0.00075297 -0.0262456  34  LEU   A HB3  
263  H HG   . LEU   A 22  ? 0.523184 0.35261  0.319516 -0.039859   0.0237213   -0.0195282  34  LEU   A HG   
264  H HD11 . LEU   A 22  ? 0.602824 0.376341 0.353846 -0.0192248  0.00451088  -0.0109223  34  LEU   A HD11 
265  H HD12 . LEU   A 22  ? 0.632447 0.389081 0.350752 -0.0394862  0.0245413   -0.00918435 34  LEU   A HD12 
266  H HD13 . LEU   A 22  ? 0.635714 0.394982 0.350698 -0.0235356  0.00916117  -0.0118817  34  LEU   A HD13 
267  H HD21 . LEU   A 22  ? 0.543104 0.392886 0.330588 -0.0516511  0.0400496   -0.0290566  34  LEU   A HD21 
268  H HD22 . LEU   A 22  ? 0.586091 0.399386 0.329907 -0.0421327  0.0318121   -0.0257225  34  LEU   A HD22 
269  H HD23 . LEU   A 22  ? 0.593284 0.397391 0.330943 -0.0585649  0.0456918   -0.0204762  34  LEU   A HD23 
270  N N    . LYS   A 23  ? 0.410973 0.300107 0.281338 -0.00860619 -0.0113404  -0.0427291  35  LYS   A N    
271  C CA   . LYS   A 23  ? 0.384992 0.283049 0.281799 -0.00031502 -0.0259616  -0.0483574  35  LYS   A CA   
272  C C    . LYS   A 23  ? 0.408969 0.287795 0.280873 0.00819088  -0.0396638  -0.0546242  35  LYS   A C    
273  O O    . LYS   A 23  ? 0.443301 0.307101 0.276621 0.00783618  -0.0336181  -0.0587465  35  LYS   A O    
274  C CB   . LYS   A 23  ? 0.394948 0.31005  0.310396 -0.00085804 -0.0206904  -0.0566801  35  LYS   A CB   
275  C CG   . LYS   A 23  ? 0.382441 0.300574 0.324992 0.00595044  -0.0352836  -0.0624464  35  LYS   A CG   
276  C CD   . LYS   A 23  ? 0.37391  0.302091 0.329768 0.00905046  -0.0309763  -0.0721652  35  LYS   A CD   
277  C CE   . LYS   A 23  ? 0.389459 0.310454 0.36603  0.0154019   -0.0466009  -0.0794986  35  LYS   A CE   
278  N NZ   . LYS   A 23  ? 0.406051 0.330224 0.388164 0.0221627   -0.0430421  -0.0918784  35  LYS   A NZ   
279  H H    . LYS   A 23  ? 0.424728 0.308271 0.27422  -0.0121031  -0.00337846 -0.0455722  35  LYS   A H    
280  H HA   . LYS   A 23  ? 0.372624 0.277904 0.291604 0.00064165  -0.0312991  -0.0438666  35  LYS   A HA   
281  H HB2  . LYS   A 23  ? 0.372085 0.300624 0.302051 -0.00538402 -0.0133036  -0.0532148  35  LYS   A HB2  
282  H HB3  . LYS   A 23  ? 0.407269 0.317728 0.301602 -0.00133025 -0.0143147  -0.0623748  35  LYS   A HB3  
283  H HG2  . LYS   A 23  ? 0.398506 0.304706 0.328325 0.00999465  -0.0444512  -0.0666915  35  LYS   A HG2  
284  H HG3  . LYS   A 23  ? 0.364369 0.288927 0.328923 0.00464108  -0.0392703  -0.0560597  35  LYS   A HG3  
285  H HD2  . LYS   A 23  ? 0.361529 0.303076 0.333258 0.0063872   -0.0247836  -0.0677096  35  LYS   A HD2  
286  H HD3  . LYS   A 23  ? 0.395233 0.320945 0.329868 0.00969704  -0.0239324  -0.0788316  35  LYS   A HD3  
287  H HE2  . LYS   A 23  ? 0.403436 0.312926 0.366833 0.0173549   -0.0550301  -0.0837685  35  LYS   A HE2  
288  H HE3  . LYS   A 23  ? 0.372738 0.297755 0.372104 0.0131609   -0.0510339  -0.0722979  35  LYS   A HE3  
289  H HZ1  . LYS   A 23  ? 0.419398 0.342021 0.380282 0.0238161   -0.0371138  -0.0990404  35  LYS   A HZ1  
290  H HZ2  . LYS   A 23  ? 0.390568 0.326707 0.386745 0.0216224   -0.0370901  -0.088042   35  LYS   A HZ2  
291  H HZ3  . LYS   A 23  ? 0.410554 0.326146 0.403114 0.02561     -0.0528321  -0.0967606  35  LYS   A HZ3  
292  N N    . ILE   A 24  ? 0.423299 0.304509 0.317006 0.0147007   -0.0575205  -0.0553669  36  ILE   A N    
293  C CA   . ILE   A 24  ? 0.495746 0.36552  0.376296 0.0228171   -0.075142   -0.0645     36  ILE   A CA   
294  C C    . ILE   A 24  ? 0.439777 0.322042 0.357791 0.0230454   -0.0864007  -0.0734996  36  ILE   A C    
295  O O    . ILE   A 24  ? 0.411444 0.309407 0.369775 0.0190962   -0.0882971  -0.0687204  36  ILE   A O    
296  C CB   . ILE   A 24  ? 0.509388 0.367942 0.376784 0.0309686   -0.0897648  -0.0600235  36  ILE   A CB   
297  C CG1  . ILE   A 24  ? 0.59689  0.431366 0.417648 0.0311102   -0.0792292  -0.0512909  36  ILE   A CG1  
298  C CG2  . ILE   A 24  ? 0.531277 0.382756 0.38943  0.0395756   -0.112212   -0.0716034  36  ILE   A CG2  
299  C CD1  . ILE   A 24  ? 0.710888 0.533531 0.523854 0.0413306   -0.0917334  -0.0444334  36  ILE   A CD1  
300  H H    . ILE   A 24  ? 0.407529 0.299259 0.325372 0.0134107   -0.0586095  -0.0505892  36  ILE   A H    
301  H HA   . ILE   A 24  ? 0.498224 0.357143 0.349654 0.0232354   -0.0703231  -0.0688635  36  ILE   A HA   
302  H HB   . ILE   A 24  ? 0.498026 0.369742 0.394434 0.0305618   -0.0920702  -0.0559072  36  ILE   A HB   
303  H HG12 . ILE   A 24  ? 0.629284 0.449296 0.417713 0.0319529   -0.0782859  -0.0548435  36  ILE   A HG12 
304  H HG13 . ILE   A 24  ? 0.585318 0.424864 0.411052 0.0234983   -0.0644187  -0.0468526  36  ILE   A HG13 
305  H HG21 . ILE   A 24  ? 0.548526 0.393717 0.397125 0.0465292   -0.123017   -0.0691129  36  ILE   A HG21 
306  H HG22 . ILE   A 24  ? 0.555683 0.394898 0.384539 0.0400099   -0.109141   -0.0767549  36  ILE   A HG22 
307  H HG23 . ILE   A 24  ? 0.517094 0.382389 0.407593 0.0376916   -0.119069   -0.0768342  36  ILE   A HG23 
308  H HD11 . ILE   A 24  ? 0.652873 0.491668 0.497869 0.0408555   -0.0914216  -0.0419117  36  ILE   A HD11 
309  H HD12 . ILE   A 24  ? 0.699521 0.501807 0.480537 0.0404633   -0.0840854  -0.0382738  36  ILE   A HD12 
310  H HD13 . ILE   A 24  ? 0.694787 0.513464 0.501738 0.0496272   -0.107864   -0.0491237  36  ILE   A HD13 
311  N N    . VAL   A 25  ? 0.43625  0.308946 0.338408 0.0266829   -0.0920584  -0.0872352  37  VAL   A N    
312  C CA   . VAL   A 25  ? 0.437814 0.314731 0.37197  0.0265127   -0.104404   -0.0970508  37  VAL   A CA   
313  C C    . VAL   A 25  ? 0.459779 0.335048 0.401299 0.0296123   -0.127657   -0.101646   37  VAL   A C    
314  O O    . VAL   A 25  ? 0.488962 0.350476 0.393653 0.0369294   -0.138307   -0.108168   37  VAL   A O    
315  C CB   . VAL   A 25  ? 0.462659 0.329338 0.379731 0.0306021   -0.102302   -0.113057   37  VAL   A CB   
316  C CG1  . VAL   A 25  ? 0.470612 0.33345  0.4178   0.0303837   -0.11892    -0.124385   37  VAL   A CG1  
317  C CG2  . VAL   A 25  ? 0.43603  0.312562 0.35778  0.0288547   -0.081092   -0.110471   37  VAL   A CG2  
318  H H    . VAL   A 25  ? 0.466734 0.32887  0.336963 0.0287837   -0.0876322  -0.0905274  37  VAL   A H    
319  H HA   . VAL   A 25  ? 0.414468 0.302088 0.377821 0.0219118   -0.0999818  -0.091011   37  VAL   A HA   
320  H HB   . VAL   A 25  ? 0.487504 0.34348  0.370518 0.0346996   -0.10435    -0.118332   37  VAL   A HB   
321  H HG11 . VAL   A 25  ? 0.447012 0.318219 0.425634 0.0252905   -0.117835   -0.116814   37  VAL   A HG11 
322  H HG12 . VAL   A 25  ? 0.483974 0.342219 0.426663 0.031585    -0.133558   -0.129314   37  VAL   A HG12 
323  H HG13 . VAL   A 25  ? 0.483714 0.339594 0.423078 0.0339843   -0.11629    -0.134814   37  VAL   A HG13 
324  H HG21 . VAL   A 25  ? 0.456534 0.328404 0.367826 0.0331471   -0.0790339  -0.121854   37  VAL   A HG21 
325  H HG22 . VAL   A 25  ? 0.437073 0.316421 0.341919 0.0265263   -0.0701795  -0.103401   37  VAL   A HG22 
326  H HG23 . VAL   A 25  ? 0.417585 0.302513 0.369641 0.0259264   -0.0807127  -0.105005   37  VAL   A HG23 
327  N N    . LYS   A 26  ? 0.409581 0.300275 0.397708 0.0237647   -0.135416   -0.0980756  38  LYS   A N    
328  C CA   . LYS   A 26  ? 0.416501 0.314457 0.422454 0.025146    -0.1577     -0.103994   38  LYS   A CA   
329  C C    . LYS   A 26  ? 0.441692 0.335497 0.469535 0.0201806   -0.173603   -0.119472   38  LYS   A C    
330  O O    . LYS   A 26  ? 0.462089 0.358629 0.494716 0.0220913   -0.195024   -0.13012    38  LYS   A O    
331  C CB   . LYS   A 26  ? 0.417529 0.340038 0.466138 0.0196393   -0.155654   -0.0923337  38  LYS   A CB   
332  C CG   . LYS   A 26  ? 0.417217 0.342074 0.447211 0.0250579   -0.142182   -0.0789215  38  LYS   A CG   
333  C CD   . LYS   A 26  ? 0.518132 0.424968 0.50023  0.0376408   -0.149178   -0.0802006  38  LYS   A CD   
334  C CE   . LYS   A 26  ? 0.525198 0.441284 0.51884  0.0461601   -0.172695   -0.0863397  38  LYS   A CE   
335  N NZ   . LYS   A 26  ? 0.591464 0.4893   0.54107  0.0609816   -0.181002   -0.0833132  38  LYS   A NZ   
336  H H    . LYS   A 26  ? 0.395399 0.293604 0.405001 0.0184714   -0.126663   -0.0919168  38  LYS   A H    
337  H HA   . LYS   A 26  ? 0.446216 0.336374 0.423292 0.0328059   -0.164891   -0.1066     38  LYS   A HA   
338  H HB2  . LYS   A 26  ? 0.396117 0.324138 0.469311 0.0115225   -0.148292   -0.088613   38  LYS   A HB2  
339  H HB3  . LYS   A 26  ? 0.418988 0.350654 0.483956 0.0204096   -0.170613   -0.0977952  38  LYS   A HB3  
340  H HG2  . LYS   A 26  ? 0.418261 0.339477 0.441496 0.0214902   -0.127177   -0.0733111  38  LYS   A HG2  
341  H HG3  . LYS   A 26  ? 0.414266 0.355971 0.471506 0.0232141   -0.142414   -0.0740414  38  LYS   A HG3  
342  H HD2  . LYS   A 26  ? 0.51649  0.407763 0.470462 0.0389791   -0.149142   -0.0859089  38  LYS   A HD2  
343  H HD3  . LYS   A 26  ? 0.492934 0.396548 0.462591 0.0390006   -0.137877   -0.07125    38  LYS   A HD3  
344  H HE2  . LYS   A 26  ? 0.5139   0.450439 0.543311 0.0433807   -0.172348   -0.0830852  38  LYS   A HE2  
345  H HE3  . LYS   A 26  ? 0.547699 0.463076 0.54578  0.0448516   -0.18507    -0.0967185  38  LYS   A HE3  
346  H HZ1  . LYS   A 26  ? 0.571725 0.468803 0.51884  0.0623585   -0.170796   -0.0744995  38  LYS   A HZ1  
347  H HZ2  . LYS   A 26  ? 0.60213  0.4804   0.515713 0.0625502   -0.179605   -0.0852878  38  LYS   A HZ2  
348  H HZ3  . LYS   A 26  ? 0.591037 0.496944 0.550799 0.0674386   -0.197989   -0.0883925  38  LYS   A HZ3  
349  N N    . ARG   A 27  ? 0.47948  0.36739  0.525724 0.0133382   -0.164991   -0.120368   39  ARG   A N    
350  C CA   . ARG   A 27  ? 0.4982   0.373117 0.559721 0.00888568  -0.179836   -0.136476   39  ARG   A CA   
351  C C    . ARG   A 27  ? 0.566675 0.422685 0.610128 0.0135758   -0.167497   -0.141829   39  ARG   A C    
352  O O    . ARG   A 27  ? 0.496723 0.357089 0.553091 0.0113997   -0.150847   -0.128979   39  ARG   A O    
353  C CB   . ARG   A 27  ? 0.517246 0.401284 0.632635 -0.0063646  -0.185459   -0.132488   39  ARG   A CB   
354  C CG   . ARG   A 27  ? 0.556446 0.422957 0.686822 -0.0132363  -0.204431   -0.151268   39  ARG   A CG   
355  C CD   . ARG   A 27  ? 0.561206 0.437607 0.74616  -0.0327245  -0.208266   -0.145042   39  ARG   A CD   
356  N NE   . ARG   A 27  ? 0.603908 0.468367 0.797838 -0.0371629  -0.189034   -0.129145   39  ARG   A NE   
357  C CZ   . ARG   A 27  ? 0.636547 0.506686 0.868179 -0.0535618  -0.18208    -0.114489   39  ARG   A CZ   
358  N NH1  . ARG   A 27  ? 0.558897 0.456051 0.826533 -0.0672803  -0.187446   -0.111879   39  ARG   A NH1  
359  N NH2  . ARG   A 27  ? 0.633771 0.483763 0.866426 -0.0556566  -0.169702   -0.10244    39  ARG   A NH2  
360  H H    . ARG   A 27  ? 0.449182 0.339693 0.498356 0.0117423   -0.150662   -0.111127   39  ARG   A H    
361  H HA   . ARG   A 27  ? 0.537396 0.407607 0.582781 0.0132482   -0.194132   -0.148001   39  ARG   A HA   
362  H HB2  . ARG   A 27  ? 0.500133 0.402757 0.631747 -0.00920496 -0.189242   -0.127358   39  ARG   A HB2  
363  H HB3  . ARG   A 27  ? 0.496289 0.37976  0.622153 -0.00991561 -0.172163   -0.121893   39  ARG   A HB3  
364  H HG2  . ARG   A 27  ? 0.57064  0.417661 0.687458 -0.00952624 -0.200148   -0.156661   39  ARG   A HG2  
365  H HG3  . ARG   A 27  ? 0.576015 0.44295  0.692999 -0.00896857 -0.218919   -0.163171   39  ARG   A HG3  
366  H HD2  . ARG   A 27  ? 0.593944 0.459781 0.789293 -0.0387377  -0.222518   -0.158314   39  ARG   A HD2  
367  H HD3  . ARG   A 27  ? 0.554277 0.454613 0.756254 -0.035993   -0.20843    -0.138106   39  ARG   A HD3  
368  H HE   . ARG   A 27  ? 0.599927 0.453168 0.772372 -0.0284389  -0.181727   -0.128983   39  ARG   A HE   
369  H HH11 . ARG   A 27  ? 0.588172 0.492521 0.862294 -0.0684442  -0.201184   -0.12371    39  ARG   A HH11 
370  H HH12 . ARG   A 27  ? 0.564674 0.473945 0.850385 -0.0751461  -0.177195   -0.0987558  39  ARG   A HH12 
371  H HH21 . ARG   A 27  ? 0.639616 0.474672 0.851957 -0.0456099  -0.166832   -0.105507   39  ARG   A HH21 
372  H HH22 . ARG   A 27  ? 0.630569 0.482549 0.883921 -0.0667002  -0.164511   -0.0913181  39  ARG   A HH22 
373  N N    . VAL   A 28  ? 0.602053 0.439048 0.615604 0.0213296   -0.176082   -0.1617     40  VAL   A N    
374  C CA   . VAL   A 28  ? 0.650251 0.472712 0.648139 0.0287832   -0.163744   -0.170072   40  VAL   A CA   
375  C C    . VAL   A 28  ? 0.638067 0.447219 0.67372  0.0231761   -0.167139   -0.171913   40  VAL   A C    
376  O O    . VAL   A 28  ? 0.6509   0.451952 0.7129   0.0132285   -0.183918   -0.176959   40  VAL   A O    
377  C CB   . VAL   A 28  ? 0.717887 0.524199 0.670445 0.0393135   -0.170408   -0.192164   40  VAL   A CB   
378  C CG1  . VAL   A 28  ? 0.776777 0.567513 0.722723 0.0479267   -0.162135   -0.207536   40  VAL   A CG1  
379  C CG2  . VAL   A 28  ? 0.7233   0.536861 0.63022  0.0451761   -0.160225   -0.186028   40  VAL   A CG2  
380  H H    . VAL   A 28  ? 0.628828 0.463077 0.631743 0.022838    -0.189945   -0.170914   40  VAL   A H    
381  H HA   . VAL   A 28  ? 0.626169 0.457939 0.617009 0.0309728   -0.148154   -0.159852   40  VAL   A HA   
382  H HB   . VAL   A 28  ? 0.73747  0.537468 0.693633 0.0367174   -0.188239   -0.201563   40  VAL   A HB   
383  H HG11 . VAL   A 28  ? 0.743615 0.543509 0.696117 0.0496852   -0.14654    -0.198243   40  VAL   A HG11 
384  H HG12 . VAL   A 28  ? 0.772887 0.551178 0.74097  0.0449314   -0.172477   -0.214285   40  VAL   A HG12 
385  H HG13 . VAL   A 28  ? 0.79191  0.575694 0.704479 0.0551019   -0.162244   -0.220601   40  VAL   A HG13 
386  H HG21 . VAL   A 28  ? 0.755382 0.557814 0.630195 0.0513621   -0.163984   -0.199469   40  VAL   A HG21 
387  H HG22 . VAL   A 28  ? 0.71379  0.534611 0.624476 0.042022    -0.167535   -0.17753    40  VAL   A HG22 
388  H HG23 . VAL   A 28  ? 0.706182 0.527416 0.611337 0.0458291   -0.142698   -0.177359   40  VAL   A HG23 
389  N N    . GLY   A 29  ? 0.623644 0.429855 0.66106  0.0297126   -0.151466   -0.168016   41  GLY   A N    
390  C CA   . GLY   A 29  ? 0.593146 0.381427 0.660143 0.027882    -0.153484   -0.166692   41  GLY   A CA   
391  C C    . GLY   A 29  ? 0.6954   0.455982 0.748301 0.0400679   -0.15966    -0.191437   41  GLY   A C    
392  O O    . GLY   A 29  ? 0.681173 0.439104 0.700054 0.0493331   -0.161107   -0.210575   41  GLY   A O    
393  H H    . GLY   A 29  ? 0.6103   0.425728 0.629573 0.0357397   -0.139509   -0.165916   41  GLY   A H    
394  H HA2  . GLY   A 29  ? 0.61366  0.398027 0.702968 0.0168301   -0.162617   -0.161888   41  GLY   A HA2  
395  H HA3  . GLY   A 29  ? 0.594834 0.392059 0.668947 0.0298125   -0.141697   -0.154301   41  GLY   A HA3  
396  N N    . ASN   A 30  ? 0.675899 0.413274 0.75288  0.0406631   -0.1628     -0.190306   42  ASN   A N    
397  C CA   . ASN   A 30  ? 0.768205 0.471665 0.838756 0.0520296   -0.171391   -0.213954   42  ASN   A CA   
398  C C    . ASN   A 30  ? 0.787642 0.490986 0.860464 0.0701129   -0.157536   -0.211941   42  ASN   A C    
399  O O    . ASN   A 30  ? 0.69811  0.419701 0.786268 0.0689539   -0.146741   -0.189467   42  ASN   A O    
400  C CB   . ASN   A 30  ? 0.830009 0.50036  0.925956 0.0370025   -0.190533   -0.216871   42  ASN   A CB   
401  C CG   . ASN   A 30  ? 0.879667 0.539883 1.00827  0.0269635   -0.187213   -0.191827   42  ASN   A CG   
402  O OD1  . ASN   A 30  ? 0.972824 0.602964 1.10761  0.0367646   -0.187298   -0.19209    42  ASN   A OD1  
403  N ND2  . ASN   A 30  ? 0.855622 0.536648 1.00439  0.00773099  -0.185777   -0.17112    42  ASN   A ND2  
404  H H    . ASN   A 30  ? 0.676598 0.417311 0.77315  0.0343161   -0.159494   -0.174004   42  ASN   A H    
405  H HA   . ASN   A 30  ? 0.7846   0.488943 0.830865 0.0577682   -0.173665   -0.230446   42  ASN   A HA   
406  H HB2  . ASN   A 30  ? 0.870802 0.515656 0.959051 0.0444778   -0.197849   -0.235417   42  ASN   A HB2  
407  H HB3  . ASN   A 30  ? 0.831489 0.510871 0.928966 0.0258005   -0.198617   -0.217909   42  ASN   A HB3  
408  H HD21 . ASN   A 30  ? 0.848607 0.524824 1.01342  0.00104006  -0.182388   -0.155501   42  ASN   A HD21 
409  H HD22 . ASN   A 30  ? 0.839707 0.539497 0.985314 0.00223378  -0.18806    -0.172976   42  ASN   A HD22 
410  N N    . GLY   A 31  ? 0.839356 0.525304 0.895937 0.0882515   -0.15823    -0.237411   43  GLY   A N    
411  C CA   . GLY   A 31  ? 0.881829 0.571481 0.943154 0.109469    -0.146587   -0.240914   43  GLY   A CA   
412  C C    . GLY   A 31  ? 0.853027 0.590135 0.900912 0.115543    -0.125042   -0.235836   43  GLY   A C    
413  O O    . GLY   A 31  ? 0.779403 0.541242 0.819438 0.101401    -0.119141   -0.220941   43  GLY   A O    
414  H H    . GLY   A 31  ? 0.868959 0.54172  0.911505 0.088258    -0.166582   -0.254208   43  GLY   A H    
415  H HA2  . GLY   A 31  ? 0.908874 0.579013 0.961476 0.121455    -0.150652   -0.261724   43  GLY   A HA2  
416  H HA3  . GLY   A 31  ? 0.868041 0.547741 0.950488 0.108179    -0.149121   -0.226607   43  GLY   A HA3  
417  N N    . GLU   A 32  ? 0.910289 0.659812 0.958264 0.13662     -0.11332    -0.248691   44  GLU   A N    
418  C CA   . GLU   A 32  ? 0.878255 0.673281 0.913532 0.141172    -0.0913138  -0.249533   44  GLU   A CA   
419  C C    . GLU   A 32  ? 0.756263 0.58049  0.819321 0.141258    -0.0828813  -0.226946   44  GLU   A C    
420  O O    . GLU   A 32  ? 0.84169  0.705022 0.898498 0.13733     -0.0657162  -0.221842   44  GLU   A O    
421  C CB   . GLU   A 32  ? 0.982807 0.780753 1.00096  0.162238    -0.0819573  -0.280984   44  GLU   A CB   
422  H H    . GLU   A 32  ? 0.919942 0.649142 0.977462 0.148264    -0.119091   -0.257576   44  GLU   A H    
423  H HA   . GLU   A 32  ? 0.862641 0.666623 0.879559 0.128936    -0.0884846  -0.244948   44  GLU   A HA   
426  N N    . GLU   A 33  ? 0.672796 0.476176 0.762969 0.143266    -0.0954005  -0.212267   45  GLU   A N    
427  C CA   . GLU   A 33  ? 0.624975 0.45316  0.737641 0.144926    -0.0906844  -0.191346   45  GLU   A CA   
428  C C    . GLU   A 33  ? 0.594776 0.439233 0.705281 0.121165    -0.0873796  -0.165654   45  GLU   A C    
429  O O    . GLU   A 33  ? 0.552727 0.375465 0.66023  0.104797    -0.0965271  -0.155464   45  GLU   A O    
430  C CB   . GLU   A 33  ? 0.621327 0.419192 0.756971 0.15774     -0.105034   -0.183062   45  GLU   A CB   
431  H H    . GLU   A 33  ? 0.711604 0.483005 0.804458 0.143079    -0.107615   -0.215347   45  GLU   A H    
432  H HA   . GLU   A 33  ? 0.620258 0.477773 0.733963 0.154282    -0.079221   -0.199528   45  GLU   A HA   
435  N N    . THR   A 34  ? 0.554966 0.44096  0.668306 0.119488    -0.0734082  -0.157586   46  THR   A N    
436  C CA   . THR   A 34  ? 0.532436 0.433632 0.648771 0.102136    -0.070786   -0.132856   46  THR   A CA   
437  C C    . THR   A 34  ? 0.532358 0.440847 0.671391 0.11157     -0.0753762  -0.119377   46  THR   A C    
438  O O    . THR   A 34  ? 0.567509 0.479126 0.719662 0.132286    -0.0778608  -0.130867   46  THR   A O    
439  C CB   . THR   A 34  ? 0.532277 0.46921  0.632509 0.0924725   -0.0535663  -0.13405    46  THR   A CB   
440  O OG1  . THR   A 34  ? 0.533815 0.503027 0.645044 0.105486    -0.0429489  -0.144928   46  THR   A OG1  
441  C CG2  . THR   A 34  ? 0.57357  0.499902 0.644944 0.0869894   -0.0502768  -0.147547   46  THR   A CG2  
442  H H    . THR   A 34  ? 0.562131 0.468286 0.675886 0.129084    -0.0648491  -0.168876   46  THR   A H    
443  H HA   . THR   A 34  ? 0.53444  0.416224 0.64781  0.0915657   -0.0778028  -0.125045   46  THR   A HA   
444  H HB   . THR   A 34  ? 0.510692 0.455133 0.611753 0.0814648   -0.052262   -0.118973   46  THR   A HB   
446  H HG21 . THR   A 34  ? 0.554246 0.498635 0.612732 0.079841    -0.0393751  -0.145704   46  THR   A HG21 
447  H HG22 . THR   A 34  ? 0.588729 0.50987  0.656712 0.0979851   -0.0499324  -0.163746   46  THR   A HG22 
448  H HG23 . THR   A 34  ? 0.56792  0.47419  0.6361   0.07977     -0.0597114  -0.142148   46  THR   A HG23 
449  N N    . PRO   A 35  ? 0.525901 0.435188 0.669152 0.0991563   -0.0781509  -0.0955827  47  PRO   A N    
450  C CA   . PRO   A 35  ? 0.557002 0.469597 0.715292 0.109056    -0.0847736  -0.0819879  47  PRO   A CA   
451  C C    . PRO   A 35  ? 0.530902 0.490073 0.699073 0.119418    -0.0766029  -0.088599   47  PRO   A C    
452  O O    . PRO   A 35  ? 0.516544 0.507753 0.677709 0.109443    -0.0624987  -0.0949334  47  PRO   A O    
453  C CB   . PRO   A 35  ? 0.528206 0.433468 0.681763 0.0903102   -0.0862994  -0.0567266  47  PRO   A CB   
454  C CG   . PRO   A 35  ? 0.510421 0.420004 0.65089  0.0715149   -0.0782934  -0.0583878  47  PRO   A CG   
455  C CD   . PRO   A 35  ? 0.481898 0.386667 0.614753 0.0774311   -0.0764271  -0.0817015  47  PRO   A CD   
456  H HA   . PRO   A 35  ? 0.572716 0.460347 0.737114 0.120236    -0.0941295  -0.0846291  47  PRO   A HA   
457  H HB2  . PRO   A 35  ? 0.518954 0.44508  0.674474 0.0906903   -0.0838727  -0.0486799  47  PRO   A HB2  
458  H HB3  . PRO   A 35  ? 0.551639 0.428389 0.708054 0.0905433   -0.0949963  -0.0481471  47  PRO   A HB3  
459  H HG2  . PRO   A 35  ? 0.478575 0.412022 0.614249 0.0653812   -0.0703086  -0.0546147  47  PRO   A HG2  
460  H HG3  . PRO   A 35  ? 0.503978 0.395133 0.64474  0.0619805   -0.0826049  -0.0485382  47  PRO   A HG3  
461  H HD2  . PRO   A 35  ? 0.481344 0.404378 0.603627 0.0716666   -0.0675826  -0.0860313  47  PRO   A HD2  
462  H HD3  . PRO   A 35  ? 0.509952 0.390486 0.641394 0.0734856   -0.0831883  -0.0836857  47  PRO   A HD3  
463  N N    . MET   A 36  ? 0.502636 0.462156 0.686984 0.13838     -0.0870388  -0.0854582  48  MET   A N    
464  C CA   . MET   A 36  ? 0.493017 0.498086 0.694799 0.151375    -0.0848629  -0.0909703  48  MET   A CA   
465  C C    . MET   A 36  ? 0.455958 0.474809 0.654409 0.139916    -0.0881713  -0.0684532  48  MET   A C    
466  O O    . MET   A 36  ? 0.418119 0.404507 0.603426 0.129686    -0.0949395  -0.0476416  48  MET   A O    
467  C CB   . MET   A 36  ? 0.546106 0.539975 0.766736 0.181906    -0.099168   -0.0986576  48  MET   A CB   
468  C CG   . MET   A 36  ? 0.644837 0.627702 0.871431 0.199949    -0.0968345  -0.125351   48  MET   A CG   
469  S SD   . MET   A 36  ? 0.611702 0.65012  0.841291 0.195838    -0.0721384  -0.152809   48  MET   A SD   
470  C CE   . MET   A 36  ? 0.658488 0.668365 0.852954 0.166653    -0.062504   -0.149131   48  MET   A CE   
471  H H    . MET   A 36  ? 0.535285 0.463715 0.720362 0.143838    -0.0972637  -0.0794616  48  MET   A H    
472  H HA   . MET   A 36  ? 0.480737 0.513881 0.683574 0.147948    -0.07274    -0.104147   48  MET   A HA   
473  H HB2  . MET   A 36  ? 0.574007 0.53412  0.78938  0.183307    -0.110662   -0.0840149  48  MET   A HB2  
474  H HB3  . MET   A 36  ? 0.549548 0.576313 0.784068 0.190343    -0.100114   -0.100085   48  MET   A HB3  
475  H HG2  . MET   A 36  ? 0.637489 0.583634 0.851175 0.193525    -0.0996556  -0.124033   48  MET   A HG2  
476  H HG3  . MET   A 36  ? 0.646933 0.625509 0.88735  0.221187    -0.106541   -0.129488   48  MET   A HG3  
477  H HE1  . MET   A 36  ? 0.643097 0.667946 0.831293 0.166065    -0.0507408  -0.164556   48  MET   A HE1  
478  H HE2  . MET   A 36  ? 0.617499 0.635417 0.805537 0.150417    -0.0597686  -0.134893   48  MET   A HE2  
479  H HE3  . MET   A 36  ? 0.660244 0.631639 0.848157 0.168265    -0.0722723  -0.146594   48  MET   A HE3  
480  N N    . ILE   A 37  ? 0.461873 0.530868 0.671779 0.139725    -0.0822048  -0.0736684  49  ILE   A N    
481  C CA   . ILE   A 37  ? 0.443437 0.527283 0.649551 0.13188     -0.0877171  -0.0557343  49  ILE   A CA   
482  C C    . ILE   A 37  ? 0.425513 0.481239 0.633151 0.150472    -0.108327   -0.0402973  49  ILE   A C    
483  O O    . ILE   A 37  ? 0.418297 0.473507 0.643672 0.175987    -0.118965   -0.0498492  49  ILE   A O    
484  C CB   . ILE   A 37  ? 0.460208 0.603484 0.682266 0.129085    -0.0808481  -0.0667795  49  ILE   A CB   
485  C CG1  . ILE   A 37  ? 0.4962   0.660246 0.710725 0.10738     -0.0591435  -0.0785578  49  ILE   A CG1  
486  C CG2  . ILE   A 37  ? 0.479353 0.63479  0.695854 0.124375    -0.0911149  -0.0499494  49  ILE   A CG2  
487  C CD1  . ILE   A 37  ? 0.534987 0.670452 0.720517 0.0843191   -0.052296   -0.0645054  49  ILE   A CD1  
488  H H    . ILE   A 37  ? 0.449803 0.544173 0.669559 0.143775    -0.0744664  -0.0891276  49  ILE   A H    
489  H HA   . ILE   A 37  ? 0.430824 0.501064 0.620691 0.115251    -0.0828858  -0.0457359  49  ILE   A HA   
490  H HB   . ILE   A 37  ? 0.476992 0.638187 0.718681 0.145962    -0.0846194  -0.0785789  49  ILE   A HB   
491  H HG12 . ILE   A 37  ? 0.497575 0.659936 0.715974 0.113041    -0.0531088  -0.0912531  49  ILE   A HG12 
492  H HG13 . ILE   A 37  ? 0.481707 0.681302 0.706904 0.103381    -0.055222   -0.0842383  49  ILE   A HG13 
493  H HG21 . ILE   A 37  ? 0.45913  0.651303 0.685374 0.119114    -0.0864214  -0.0580518  49  ILE   A HG21 
494  H HG22 . ILE   A 37  ? 0.467728 0.602047 0.664685 0.110476    -0.0883931  -0.0374552  49  ILE   A HG22 
495  H HG23 . ILE   A 37  ? 0.492173 0.639539 0.714035 0.140597    -0.105261   -0.044066   49  ILE   A HG23 
496  H HD11 . ILE   A 37  ? 0.513973 0.6498   0.694188 0.0793232   -0.0574471  -0.0524899  49  ILE   A HD11 
497  H HD12 . ILE   A 37  ? 0.507413 0.655578 0.687286 0.0724854   -0.0398505  -0.0717085  49  ILE   A HD12 
498  H HD13 . ILE   A 37  ? 0.526104 0.630331 0.703717 0.0864291   -0.055223   -0.0608058  49  ILE   A HD13 
499  N N    . GLY   A 38  ? 0.437694 0.468939 0.624739 0.138268    -0.113298   -0.0161869  50  GLY   A N    
500  C CA   . GLY   A 38  ? 0.456481 0.454726 0.635854 0.152136    -0.131477   0.00337715  50  GLY   A CA   
501  C C    . GLY   A 38  ? 0.508581 0.44566  0.676144 0.148864    -0.134804   0.0146401   50  GLY   A C    
502  O O    . GLY   A 38  ? 0.5504   0.450093 0.705231 0.154708    -0.147263   0.0350218   50  GLY   A O    
503  H H    . GLY   A 38  ? 0.413998 0.448438 0.590001 0.120996    -0.104564   -0.0116008  50  GLY   A H    
504  H HA2  . GLY   A 38  ? 0.462701 0.467444 0.62974  0.14406     -0.132822   0.0166024   50  GLY   A HA2  
505  H HA3  . GLY   A 38  ? 0.4801   0.489575 0.67363  0.172111    -0.141113   -0.00364112 50  GLY   A HA3  
506  N N    . ASP   A 39  ? 0.494382 0.418734 0.666029 0.14104     -0.125408   0.00047699  51  ASP   A N    
507  C CA   . ASP   A 39  ? 0.54239  0.411918 0.705853 0.133766    -0.128851   0.00882932  51  ASP   A CA   
508  C C    . ASP   A 39  ? 0.531644 0.387475 0.6771   0.109281    -0.123695   0.0333873   51  ASP   A C    
509  O O    . ASP   A 39  ? 0.489993 0.378867 0.629424 0.0939846   -0.112289   0.0355022   51  ASP   A O    
510  C CB   . ASP   A 39  ? 0.503148 0.365966 0.672526 0.128858    -0.121304   -0.0128659  51  ASP   A CB   
511  C CG   . ASP   A 39  ? 0.520409 0.384029 0.70401  0.152706    -0.125069   -0.0385367  51  ASP   A CG   
512  O OD1  . ASP   A 39  ? 0.541278 0.406033 0.735561 0.177304    -0.135865   -0.0407205  51  ASP   A OD1  
513  O OD2  . ASP   A 39  ? 0.538839 0.401468 0.721399 0.147346    -0.117425   -0.0571214  51  ASP   A OD2  
514  H H    . ASP   A 39  ? 0.478237 0.42791  0.657179 0.139455    -0.117017   -0.0147753  51  ASP   A H    
515  H HA   . ASP   A 39  ? 0.564827 0.408663 0.729925 0.148756    -0.140425   0.0127723   51  ASP   A HA   
516  H HB2  . ASP   A 39  ? 0.47923  0.36881  0.646299 0.117202    -0.110676   -0.0177908  51  ASP   A HB2  
517  H HB3  . ASP   A 39  ? 0.524981 0.355176 0.689111 0.1191      -0.123378   -0.00584598 51  ASP   A HB3  
518  N N    . LYS   A 40  ? 0.574711 0.380395 0.711205 0.105477    -0.131267   0.0517655   52  LYS   A N    
519  C CA   . LYS   A 40  ? 0.555204 0.346229 0.678874 0.0793494   -0.122792   0.0718901   52  LYS   A CA   
520  C C    . LYS   A 40  ? 0.551804 0.341725 0.68614  0.0621138   -0.113779   0.057818    52  LYS   A C    
521  O O    . LYS   A 40  ? 0.592597 0.355093 0.736486 0.066987    -0.120046   0.0444449   52  LYS   A O    
522  C CB   . LYS   A 40  ? 0.616666 0.353452 0.726846 0.0775474   -0.131698   0.0968948   52  LYS   A CB   
523  H H    . LYS   A 40  ? 0.600506 0.380801 0.739428 0.119172    -0.141211   0.051431    52  LYS   A H    
524  H HA   . LYS   A 40  ? 0.542547 0.360782 0.658783 0.073643    -0.116789   0.0777347   52  LYS   A HA   
527  N N    . VAL   A 41  ? 0.532382 0.35029  0.663902 0.0430542   -0.100605   0.0603364   53  VAL   A N    
528  C CA   . VAL   A 41  ? 0.517839 0.342431 0.658721 0.0294056   -0.0939357  0.0463234   53  VAL   A CA   
529  C C    . VAL   A 41  ? 0.504964 0.320303 0.647379 0.00577257  -0.0870609  0.0620199   53  VAL   A C    
530  O O    . VAL   A 41  ? 0.559549 0.385968 0.691722 -0.00243982 -0.0794958  0.0797702   53  VAL   A O    
531  C CB   . VAL   A 41  ? 0.522753 0.391174 0.661097 0.0307429   -0.0847469  0.0319216   53  VAL   A CB   
532  C CG1  . VAL   A 41  ? 0.556352 0.430556 0.698736 0.017092    -0.0790966  0.0222405   53  VAL   A CG1  
533  C CG2  . VAL   A 41  ? 0.539543 0.420599 0.681496 0.0508366   -0.0886334  0.0130891   53  VAL   A CG2  
534  H H    . VAL   A 41  ? 0.522084 0.354899 0.644721 0.0396105   -0.0965661  0.070746    53  VAL   A H    
535  H HA   . VAL   A 41  ? 0.53531  0.341641 0.682937 0.0349561   -0.100129   0.0352269   53  VAL   A HA   
536  H HB   . VAL   A 41  ? 0.515292 0.400088 0.646215 0.0274149   -0.0799635  0.0416589   53  VAL   A HB   
537  H HG11 . VAL   A 41  ? 0.551897 0.40572  0.700905 0.0171087   -0.0850115  0.015686    53  VAL   A HG11 
538  H HG12 . VAL   A 41  ? 0.530904 0.409179 0.672709 0.00529554  -0.0740916  0.0328494   53  VAL   A HG12 
539  H HG13 . VAL   A 41  ? 0.517849 0.41194  0.656358 0.0202303   -0.0748752  0.0114772   53  VAL   A HG13 
540  H HG21 . VAL   A 41  ? 0.51036  0.416775 0.649657 0.0488928   -0.0814916  0.00479768  53  VAL   A HG21 
541  H HG22 . VAL   A 41  ? 0.544783 0.426734 0.686277 0.060941    -0.093411   0.018984    53  VAL   A HG22 
542  H HG23 . VAL   A 41  ? 0.548355 0.411472 0.695582 0.0555567   -0.0933815  0.00295003  53  VAL   A HG23 
543  N N    . TYR   A 42  ? 0.525936 0.324719 0.682238 -0.00530786 -0.0894011  0.053194    54  TYR   A N    
544  C CA   . TYR   A 42  ? 0.539849 0.333722 0.706271 -0.0288749  -0.0833099  0.0647806   54  TYR   A CA   
545  C C    . TYR   A 42  ? 0.473271 0.295752 0.651661 -0.0368748  -0.0795535  0.0483913   54  TYR   A C    
546  O O    . TYR   A 42  ? 0.469599 0.286639 0.652688 -0.0306353  -0.0878482  0.0284053   54  TYR   A O    
547  C CB   . TYR   A 42  ? 0.570178 0.317622 0.747383 -0.0380763  -0.0921466  0.0684107   54  TYR   A CB   
548  C CG   . TYR   A 42  ? 0.659243 0.367046 0.821976 -0.0288938  -0.098548   0.0860125   54  TYR   A CG   
549  C CD1  . TYR   A 42  ? 0.70796  0.401459 0.863284 -0.00288486 -0.110106   0.0758929   54  TYR   A CD1  
550  C CD2  . TYR   A 42  ? 0.762831 0.446033 0.918864 -0.0453107  -0.0933244  0.112447    54  TYR   A CD2  
551  C CE1  . TYR   A 42  ? 0.735266 0.391739 0.877181 0.00975432  -0.118902   0.0916251   54  TYR   A CE1  
552  C CE2  . TYR   A 42  ? 0.786386 0.425074 0.924306 -0.0356108  -0.101587   0.130109    54  TYR   A CE2  
553  C CZ   . TYR   A 42  ? 0.822446 0.447539 0.953443 -0.00646576 -0.115803   0.119643    54  TYR   A CZ   
554  O OH   . TYR   A 42  ? 0.878281 0.459194 0.991065 0.00717117  -0.126528   0.137021    54  TYR   A OH   
555  H H    . TYR   A 42  ? 0.526804 0.319073 0.68735  0.00193204  -0.0950362  0.0383554   54  TYR   A H    
556  H HA   . TYR   A 42  ? 0.528436 0.330995 0.687205 -0.0343731  -0.0758685  0.0801942   54  TYR   A HA   
557  H HB2  . TYR   A 42  ? 0.584812 0.324237 0.76866  -0.0328736  -0.0996882  0.0514175   54  TYR   A HB2  
558  H HB3  . TYR   A 42  ? 0.586035 0.335926 0.773121 -0.055815   -0.0866166  0.0754051   54  TYR   A HB3  
559  H HD1  . TYR   A 42  ? 0.673073 0.384747 0.831814 0.00738409  -0.111558   0.0583287   54  TYR   A HD1  
560  H HD2  . TYR   A 42  ? 0.731823 0.4266   0.895655 -0.0634001  -0.0842501  0.118407    54  TYR   A HD2  
561  H HE1  . TYR   A 42  ? 0.758672 0.408762 0.898821 0.0292112   -0.127185   0.0831241   54  TYR   A HE1  
562  H HE2  . TYR   A 42  ? 0.82606  0.44591  0.955449 -0.047769   -0.0971139  0.149582    54  TYR   A HE2  
564  N N    . VAL   A 43  ? 0.439054 0.290917 0.619825 -0.0483833  -0.0678839  0.0559733   55  VAL   A N    
565  C CA   . VAL   A 43  ? 0.402943 0.281922 0.592344 -0.0512486  -0.0662071  0.0410071   55  VAL   A CA   
566  C C    . VAL   A 43  ? 0.401093 0.297362 0.609809 -0.0700349  -0.0578776  0.0493809   55  VAL   A C    
567  O O    . VAL   A 43  ? 0.421003 0.315746 0.630121 -0.080778   -0.0482067  0.0680812   55  VAL   A O    
568  C CB   . VAL   A 43  ? 0.364286 0.270868 0.535271 -0.0393047  -0.0599155  0.034802    55  VAL   A CB   
569  C CG1  . VAL   A 43  ? 0.379208 0.279147 0.535672 -0.0223064  -0.0651579  0.0244918   55  VAL   A CG1  
570  C CG2  . VAL   A 43  ? 0.372291 0.296976 0.533172 -0.0430438  -0.0473067  0.050834    55  VAL   A CG2  
571  H H    . VAL   A 43  ? 0.445549 0.29984  0.621203 -0.0534517  -0.0612018  0.0704164   55  VAL   A H    
572  H HA   . VAL   A 43  ? 0.410286 0.278573 0.605333 -0.0489203  -0.0749163  0.0282221   55  VAL   A HA   
573  H HB   . VAL   A 43  ? 0.358897 0.277362 0.534005 -0.0407066  -0.0603803  0.0255685   55  VAL   A HB   
574  H HG11 . VAL   A 43  ? 0.389301 0.278683 0.542661 -0.0185984  -0.0664397  0.0328331   55  VAL   A HG11 
575  H HG12 . VAL   A 43  ? 0.383082 0.271923 0.543346 -0.0191711  -0.0722139  0.0127496   55  VAL   A HG12 
576  H HG13 . VAL   A 43  ? 0.35721  0.274821 0.503598 -0.0181717  -0.0601446  0.0207679   55  VAL   A HG13 
577  H HG21 . VAL   A 43  ? 0.35136  0.289508 0.500355 -0.0360792  -0.0444693  0.0460007   55  VAL   A HG21 
578  H HG22 . VAL   A 43  ? 0.363445 0.29859  0.53384  -0.0525357  -0.0418408  0.0545513   55  VAL   A HG22 
579  H HG23 . VAL   A 43  ? 0.38406  0.296206 0.53994  -0.042798   -0.0475974  0.0617694   55  VAL   A HG23 
580  N N    . HIS   A 44  ? 0.425577 0.341058 0.649209 -0.0726219  -0.0615551  0.0346344   56  HIS   A N    
581  C CA   . HIS   A 44  ? 0.385397 0.332635 0.627209 -0.0833877  -0.0522558  0.0380131   56  HIS   A CA   
582  C C    . HIS   A 44  ? 0.36619  0.336768 0.593718 -0.0697923  -0.0504839  0.0280003   56  HIS   A C    
583  O O    . HIS   A 44  ? 0.364966 0.326272 0.575817 -0.0571805  -0.0592983  0.0152006   56  HIS   A O    
584  C CB   . HIS   A 44  ? 0.386303 0.339666 0.663409 -0.098119   -0.059983   0.029528    56  HIS   A CB   
585  C CG   . HIS   A 44  ? 0.477588 0.419548 0.774644 -0.119614   -0.0532464  0.0447188   56  HIS   A CG   
586  N ND1  . HIS   A 44  ? 0.48014  0.437571 0.778799 -0.130598   -0.0343721  0.0636136   56  HIS   A ND1  
587  C CD2  . HIS   A 44  ? 0.49435  0.408096 0.807731 -0.133111   -0.0623208  0.0434661   56  HIS   A CD2  
588  C CE1  . HIS   A 44  ? 0.538599 0.477633 0.853683 -0.151643   -0.0309486  0.0753385   56  HIS   A CE1  
589  N NE2  . HIS   A 44  ? 0.581538 0.491758 0.906463 -0.153768   -0.0484764  0.0633524   56  HIS   A NE2  
590  H H    . HIS   A 44  ? 0.409111 0.318221 0.631114 -0.066369   -0.0704829  0.0216986   56  HIS   A H    
591  H HA   . HIS   A 44  ? 0.395391 0.346209 0.634848 -0.0894099  -0.0416739  0.0520082   56  HIS   A HA   
592  H HB2  . HIS   A 44  ? 0.408894 0.347752 0.685218 -0.0937637  -0.0724175  0.0175076   56  HIS   A HB2  
593  H HB3  . HIS   A 44  ? 0.386356 0.365984 0.67371  -0.0978191  -0.0574943  0.0249785   56  HIS   A HB3  
595  H HD2  . HIS   A 44  ? 0.519539 0.416836 0.834365 -0.129739   -0.0752972  0.0312115   56  HIS   A HD2  
596  H HE1  . HIS   A 44  ? 0.549951 0.493198 0.866797 -0.163336   -0.0179349  0.0897223   56  HIS   A HE1  
598  N N    . TYR   A 45  ? 0.389671 0.386567 0.619215 -0.0720192  -0.0374793  0.0347853   57  TYR   A N    
599  C CA   . TYR   A 45  ? 0.334616 0.346829 0.546753 -0.0590159  -0.0350502  0.0269279   57  TYR   A CA   
600  C C    . TYR   A 45  ? 0.305678 0.348676 0.535743 -0.0617507  -0.0262722  0.0270235   57  TYR   A C    
601  O O    . TYR   A 45  ? 0.310898 0.368141 0.55994  -0.0738956  -0.015401   0.0368576   57  TYR   A O    
602  C CB   . TYR   A 45  ? 0.28263  0.289465 0.46342  -0.0515545  -0.0267984  0.0336802   57  TYR   A CB   
603  C CG   . TYR   A 45  ? 0.31951  0.338763 0.495119 -0.057455   -0.0114471  0.048263    57  TYR   A CG   
604  C CD1  . TYR   A 45  ? 0.320303 0.360812 0.490798 -0.0544907  -0.00085502 0.0466497   57  TYR   A CD1  
605  C CD2  . TYR   A 45  ? 0.390549 0.396791 0.562418 -0.0647035  -0.00811712 0.0633855   57  TYR   A CD2  
606  C CE1  . TYR   A 45  ? 0.344332 0.39606  0.506577 -0.059448   0.0138047   0.0579802   57  TYR   A CE1  
607  C CE2  . TYR   A 45  ? 0.406979 0.422683 0.567467 -0.070001   0.00573976  0.0772623   57  TYR   A CE2  
608  C CZ   . TYR   A 45  ? 0.376597 0.416206 0.53145  -0.0675436  0.0171812   0.0737418   57  TYR   A CZ   
609  O OH   . TYR   A 45  ? 0.377865 0.424056 0.517446 -0.0730173  0.0308267   0.0871336   57  TYR   A OH   
610  H H    . TYR   A 45  ? 0.378202 0.382016 0.61877  -0.0817367  -0.0295644  0.0441275   57  TYR   A H    
611  H HA   . TYR   A 45  ? 0.326828 0.332973 0.535251 -0.0526318  -0.044958   0.0158974   57  TYR   A HA   
612  H HB2  . TYR   A 45  ? 0.291066 0.301228 0.459113 -0.0436757  -0.0276359  0.0262556   57  TYR   A HB2  
613  H HB3  . TYR   A 45  ? 0.308069 0.298707 0.481984 -0.0497747  -0.0315698  0.0346265   57  TYR   A HB3  
614  H HD1  . TYR   A 45  ? 0.313704 0.359648 0.485073 -0.0483973  -0.00396628 0.0372872   57  TYR   A HD1  
615  H HD2  . TYR   A 45  ? 0.388745 0.377472 0.563376 -0.065306   -0.0157245  0.0642644   57  TYR   A HD2  
616  H HE1  . TYR   A 45  ? 0.338915 0.403807 0.496846 -0.0562623  0.020962    0.0550194   57  TYR   A HE1  
617  H HE2  . TYR   A 45  ? 0.416827 0.420751 0.570761 -0.0743291  0.00707907  0.08884     57  TYR   A HE2  
619  N N    . LYS   A 46  ? 0.30352  0.355045 0.525429 -0.0493971  -0.0307071  0.0158344   58  LYS   A N    
620  C CA   . LYS   A 46  ? 0.279627 0.357318 0.510572 -0.0446356  -0.0227034  0.013746    58  LYS   A CA   
621  C C    . LYS   A 46  ? 0.282095 0.350031 0.476891 -0.0310482  -0.0192875  0.0108151   58  LYS   A C    
622  O O    . LYS   A 46  ? 0.344529 0.39351  0.517395 -0.0228413  -0.0291107  0.00370225  58  LYS   A O    
623  C CB   . LYS   A 46  ? 0.28238  0.376753 0.543366 -0.0420802  -0.0361731  0.00156007  58  LYS   A CB   
624  C CG   . LYS   A 46  ? 0.297447 0.402543 0.597654 -0.0584107  -0.040656   0.00186636  58  LYS   A CG   
625  C CD   . LYS   A 46  ? 0.294711 0.418493 0.624148 -0.0543741  -0.0585483  -0.0135176  58  LYS   A CD   
626  C CE   . LYS   A 46  ? 0.362949 0.49255  0.730387 -0.0734797  -0.0657135  -0.0156644  58  LYS   A CE   
627  N NZ   . LYS   A 46  ? 0.366536 0.520937 0.766005 -0.0699522  -0.0844691  -0.0320194  58  LYS   A NZ   
628  H H    . LYS   A 46  ? 0.298142 0.336958 0.506809 -0.0427889  -0.0391873  0.00899213  58  LYS   A H    
629  H HA   . LYS   A 46  ? 0.286178 0.376134 0.526892 -0.0522472  -0.0111357  0.0218033   58  LYS   A HA   
630  H HB2  . LYS   A 46  ? 0.285963 0.366005 0.532228 -0.0341959  -0.0476522  -0.00570291 58  LYS   A HB2  
631  H HB3  . LYS   A 46  ? 0.280203 0.392986 0.548646 -0.036293   -0.0316379  -0.0008369  58  LYS   A HB3  
632  H HG2  . LYS   A 46  ? 0.295058 0.416119 0.610379 -0.0672277  -0.0279221  0.00942952  58  LYS   A HG2  
633  H HG3  . LYS   A 46  ? 0.301406 0.385061 0.593345 -0.0636163  -0.0448415  0.00436127  58  LYS   A HG3  
634  H HD2  . LYS   A 46  ? 0.310514 0.418006 0.619223 -0.0440187  -0.0703385  -0.020524   58  LYS   A HD2  
635  H HD3  . LYS   A 46  ? 0.303286 0.451405 0.646571 -0.049077   -0.0543035  -0.01585    58  LYS   A HD3  
636  H HE2  . LYS   A 46  ? 0.350084 0.493019 0.735412 -0.0856571  -0.052432   -0.00708968 58  LYS   A HE2  
637  H HE3  . LYS   A 46  ? 0.35705  0.460013 0.71013  -0.0766785  -0.0714919  -0.0150806  58  LYS   A HE3  
638  H HZ1  . LYS   A 46  ? 0.359068 0.539758 0.774166 -0.0654154  -0.0795662  -0.0332664  58  LYS   A HZ1  
639  H HZ2  . LYS   A 46  ? 0.368939 0.508901 0.748206 -0.0586835  -0.097071   -0.0392678  58  LYS   A HZ2  
640  H HZ3  . LYS   A 46  ? 0.374592 0.532721 0.798442 -0.0833749  -0.0889438  -0.0341979  58  LYS   A HZ3  
641  N N    . GLY   A 47  ? 0.281589 0.359766 0.466646 -0.0306017  -0.00395524 0.0166629   59  GLY   A N    
642  C CA   . GLY   A 47  ? 0.281263 0.347307 0.432211 -0.0208214  -0.00016845 0.0134111   59  GLY   A CA   
643  C C    . GLY   A 47  ? 0.271165 0.353055 0.424823 -0.012246   0.00818819  0.00870883  59  GLY   A C    
644  O O    . GLY   A 47  ? 0.291327 0.399943 0.473263 -0.0152856  0.0159627   0.0100196   59  GLY   A O    
645  H H    . GLY   A 47  ? 0.282957 0.374906 0.481663 -0.0372772  0.00456316  0.0223366   59  GLY   A H    
646  H HA2  . GLY   A 47  ? 0.279643 0.331549 0.418938 -0.0156051  -0.00903682 0.00785915  59  GLY   A HA2  
647  H HA3  . GLY   A 47  ? 0.278767 0.338962 0.4151   -0.0249419  0.00560624  0.019298    59  GLY   A HA3  
648  N N    . LYS   A 48  ? 0.306058 0.370627 0.431366 -0.00161342 0.00678302  0.00239047  60  LYS   A N    
649  C CA   . LYS   A 48  ? 0.300154 0.3722   0.422895 0.00943357  0.0138915   -0.00359915 60  LYS   A CA   
650  C C    . LYS   A 48  ? 0.310295 0.35344  0.392001 0.0141734   0.016019    -0.00689139 60  LYS   A C    
651  O O    . LYS   A 48  ? 0.282326 0.302422 0.341562 0.0104188   0.010045    -0.00612437 60  LYS   A O    
652  C CB   . LYS   A 48  ? 0.343008 0.426163 0.488628 0.0231305   0.00352977  -0.0123558  60  LYS   A CB   
653  C CG   . LYS   A 48  ? 0.360447 0.415615 0.486657 0.0314391   -0.0144725  -0.0167875  60  LYS   A CG   
654  C CD   . LYS   A 48  ? 0.429078 0.499922 0.582996 0.0437037   -0.0297258  -0.0243827  60  LYS   A CD   
655  C CE   . LYS   A 48  ? 0.568023 0.631095 0.711613 0.0643104   -0.033245   -0.0313695  60  LYS   A CE   
656  N NZ   . LYS   A 48  ? 0.698406 0.766769 0.857638 0.0769761   -0.0550727  -0.0379049  60  LYS   A NZ   
657  H H    . LYS   A 48  ? 0.296748 0.34346  0.403816 -0.00134594 0.00173672  0.00150249  60  LYS   A H    
658  H HA   . LYS   A 48  ? 0.308148 0.39715  0.440012 0.00509292  0.0249471   -0.00031356 60  LYS   A HA   
659  H HB2  . LYS   A 48  ? 0.34402  0.431849 0.487854 0.0320847   0.00918036  -0.0167088  60  LYS   A HB2  
660  H HB3  . LYS   A 48  ? 0.329416 0.434415 0.504811 0.0182375   0.00264487  -0.0113489  60  LYS   A HB3  
661  H HG2  . LYS   A 48  ? 0.366071 0.412897 0.487003 0.0229211   -0.0178733  -0.0134008  60  LYS   A HG2  
662  H HG3  . LYS   A 48  ? 0.385285 0.419528 0.484215 0.0372422   -0.012951   -0.0183463  60  LYS   A HG3  
663  H HD2  . LYS   A 48  ? 0.427409 0.526417 0.614102 0.0386179   -0.0266055  -0.0243788  60  LYS   A HD2  
664  H HD3  . LYS   A 48  ? 0.442581 0.501136 0.589765 0.0430299   -0.0415232  -0.025167   60  LYS   A HD3  
665  H HE2  . LYS   A 48  ? 0.571465 0.605226 0.680972 0.0668902   -0.0319117  -0.0301317  60  LYS   A HE2  
666  H HE3  . LYS   A 48  ? 0.55896  0.642512 0.719642 0.0673523   -0.0236251  -0.0334835  60  LYS   A HE3  
667  H HZ1  . LYS   A 48  ? 0.662237 0.707839 0.798977 0.0760127   -0.0635038  -0.036474   60  LYS   A HZ1  
668  H HZ2  . LYS   A 48  ? 0.644254 0.739302 0.835787 0.0715548   -0.0571941  -0.0394102  60  LYS   A HZ2  
669  H HZ3  . LYS   A 48  ? 0.671077 0.738695 0.829741 0.0915984   -0.0586247  -0.0423768  60  LYS   A HZ3  
670  N N    . LEU   A 49  ? 0.299868 0.345365 0.372613 0.0215271   0.0261808   -0.0117233  61  LEU   A N    
671  C CA   . LEU   A 49  ? 0.317822 0.332008 0.354549 0.0278485   0.0264757   -0.0177727  61  LEU   A CA   
672  C C    . LEU   A 49  ? 0.356986 0.352345 0.39073  0.042763    0.0129428   -0.0231192  61  LEU   A C    
673  O O    . LEU   A 49  ? 0.40154  0.417658 0.464923 0.0536894   0.00697321  -0.0263364  61  LEU   A O    
674  C CB   . LEU   A 49  ? 0.340463 0.361494 0.370292 0.0339405   0.040162    -0.0239352  61  LEU   A CB   
675  C CG   . LEU   A 49  ? 0.329446 0.367788 0.35488  0.0207927   0.0531751   -0.0185309  61  LEU   A CG   
676  C CD1  . LEU   A 49  ? 0.401997 0.443594 0.414819 0.0290929   0.0662456   -0.0278181  61  LEU   A CD1  
677  C CD2  . LEU   A 49  ? 0.340721 0.361033 0.341092 0.00790605  0.0498928   -0.0142666  61  LEU   A CD2  
678  H H    . LEU   A 49  ? 0.303635 0.369863 0.392833 0.022091    0.0336149   -0.0116816  61  LEU   A H    
679  H HA   . LEU   A 49  ? 0.322925 0.323564 0.341691 0.0191387   0.026175    -0.0150428  61  LEU   A HA   
680  H HB2  . LEU   A 49  ? 0.339456 0.377404 0.390281 0.0433351   0.0411111   -0.0274155  61  LEU   A HB2  
681  H HB3  . LEU   A 49  ? 0.355998 0.352108 0.361734 0.0382423   0.0392661   -0.028955   61  LEU   A HB3  
682  H HG   . LEU   A 49  ? 0.329805 0.390243 0.377877 0.0163026   0.055191    -0.0125847  61  LEU   A HG   
683  H HD11 . LEU   A 49  ? 0.386707 0.446806 0.420749 0.0374723   0.0698777   -0.0307544  61  LEU   A HD11 
684  H HD12 . LEU   A 49  ? 0.388308 0.437734 0.391763 0.020977    0.073737    -0.024726   61  LEU   A HD12 
685  H HD13 . LEU   A 49  ? 0.4016   0.418524 0.393827 0.0343356   0.0633889   -0.034507   61  LEU   A HD13 
686  H HD21 . LEU   A 49  ? 0.322992 0.34502  0.333411 0.00326558  0.0433349   -0.00882114 61  LEU   A HD21 
687  H HD22 . LEU   A 49  ? 0.348853 0.346874 0.329479 0.0100655   0.0473805   -0.019754   61  LEU   A HD22 
688  H HD23 . LEU   A 49  ? 0.338316 0.367596 0.331824 0.00198511  0.0566725   -0.011913   61  LEU   A HD23 
689  N N    . SER   A 50  ? 0.425659 0.382673 0.423694 0.0431821   0.00785246  -0.0240111  62  SER   A N    
690  C CA   . SER   A 50  ? 0.517629 0.449969 0.503964 0.0594083   -0.00536659 -0.0273808  62  SER   A CA   
691  C C    . SER   A 50  ? 0.606427 0.538591 0.59881  0.0800853   -0.00530856 -0.0353336  62  SER   A C    
692  O O    . SER   A 50  ? 0.648382 0.57653  0.64788  0.0977146   -0.019386   -0.0381848  62  SER   A O    
693  C CB   . SER   A 50  ? 0.623824 0.512417 0.566857 0.0531992   -0.0080814  -0.0247593  62  SER   A CB   
694  O OG   . SER   A 50  ? 0.633616 0.531419 0.580854 0.0394022   -0.010317   -0.0198026  62  SER   A OG   
695  H H    . SER   A 50  ? 0.426076 0.372181 0.406685 0.0334636   0.0122474   -0.0222819  62  SER   A H    
696  H HA   . SER   A 50  ? 0.517934 0.464253 0.522944 0.0612595   -0.0140093  -0.0261774  62  SER   A HA   
697  H HB2  . SER   A 50  ? 0.619076 0.494847 0.545052 0.0472194   0.00043575  -0.0259812  62  SER   A HB2  
698  H HB3  . SER   A 50  ? 0.633035 0.500918 0.563013 0.0644182   -0.0167295  -0.0256217  62  SER   A HB3  
700  N N    . ASN   A 51  ? 0.601683 0.541621 0.593695 0.0805925   0.00907648  -0.0403216  63  ASN   A N    
701  C CA   . ASN   A 51  ? 0.653146 0.594257 0.652228 0.102782    0.0104057   -0.0504173  63  ASN   A CA   
702  C C    . ASN   A 51  ? 0.623964 0.618615 0.6759   0.112382    0.0100901   -0.0538525  63  ASN   A C    
703  O O    . ASN   A 51  ? 0.630802 0.638019 0.69945  0.133224    0.0107136   -0.063758   63  ASN   A O    
704  C CB   . ASN   A 51  ? 0.614719 0.541999 0.590455 0.100757    0.0258302   -0.0572656  63  ASN   A CB   
705  C CG   . ASN   A 51  ? 0.656234 0.625107 0.651057 0.0875574   0.0421475   -0.0562987  63  ASN   A CG   
706  O OD1  . ASN   A 51  ? 0.520153 0.525377 0.546329 0.0785793   0.0425622   -0.0488875  63  ASN   A OD1  
707  N ND2  . ASN   A 51  ? 0.613975 0.574314 0.586618 0.085417    0.0549978   -0.0634044  63  ASN   A ND2  
708  H H    . ASN   A 51  ? 0.597523 0.542024 0.58392  0.0680185   0.017774    -0.0382033  63  ASN   A H    
709  H HA   . ASN   A 51  ? 0.658547 0.57144  0.641323 0.114097    4.584e-05   -0.0515165  63  ASN   A HA   
710  H HB2  . ASN   A 51  ? 0.664206 0.583635 0.639199 0.117714    0.0252911   -0.0650991  63  ASN   A HB2  
711  H HB3  . ASN   A 51  ? 0.653565 0.549811 0.599536 0.0915577   0.0253892   -0.055154   63  ASN   A HB3  
712  H HD21 . ASN   A 51  ? 0.621159 0.604358 0.60087  0.0787631   0.0645454   -0.0626425  63  ASN   A HD21 
713  H HD22 . ASN   A 51  ? 0.655704 0.586071 0.604932 0.0903607   0.0537412   -0.0689953  63  ASN   A HD22 
714  N N    . GLY   A 52  ? 0.628146 0.654798 0.708037 0.0965666   0.0098036   -0.0465186  64  GLY   A N    
715  C CA   . GLY   A 52  ? 0.600022 0.677789 0.73265  0.0987298   0.0097229   -0.0485785  64  GLY   A CA   
716  C C    . GLY   A 52  ? 0.55046  0.666808 0.705614 0.0949556   0.0318503   -0.0514502  64  GLY   A C    
717  O O    . GLY   A 52  ? 0.632386 0.794123 0.83377  0.0990954   0.0350692   -0.0557901  64  GLY   A O    
718  H H    . GLY   A 52  ? 0.605422 0.621301 0.671546 0.082917    0.0100265   -0.0402336  64  GLY   A H    
719  H HA2  . GLY   A 52  ? 0.575198 0.660471 0.718031 0.0864245   0.00508551  -0.0425159  64  GLY   A HA2  
720  H HA3  . GLY   A 52  ? 0.60316  0.683715 0.747719 0.114908    -0.00099926 -0.0545063  64  GLY   A HA3  
721  N N    . LYS   A 53  ? 0.501163 0.6028   0.624946 0.0873379   0.0473711   -0.050316   65  LYS   A N    
722  C CA   . LYS   A 53  ? 0.52068  0.655346 0.657706 0.0878902   0.0687446   -0.0551094  65  LYS   A CA   
723  C C    . LYS   A 53  ? 0.524262 0.687113 0.67585  0.0636569   0.0805633   -0.0421841  65  LYS   A C    
724  O O    . LYS   A 53  ? 0.539624 0.737898 0.709004 0.0604167   0.09943     -0.0430539  65  LYS   A O    
725  C CB   . LYS   A 53  ? 0.560241 0.666397 0.656398 0.0965713   0.0785583   -0.0643799  65  LYS   A CB   
726  H H    . LYS   A 53  ? 0.522644 0.595201 0.616653 0.0814455   0.0448792   -0.0471383  65  LYS   A H    
727  H HA   . LYS   A 53  ? 0.527357 0.687043 0.694018 0.100197    0.0686925   -0.0620709  65  LYS   A HA   
730  N N    . LYS   A 54  ? 0.511696 0.656708 0.653112 0.0472621   0.0704451   -0.0301299  66  LYS   A N    
731  C CA   . LYS   A 54  ? 0.430606 0.591215 0.579531 0.0257827   0.0786519   -0.0163127  66  LYS   A CA   
732  C C    . LYS   A 54  ? 0.436151 0.589097 0.600127 0.0160496   0.0620134   -0.00858141 66  LYS   A C    
733  O O    . LYS   A 54  ? 0.36579  0.489875 0.513166 0.0212492   0.046017    -0.0110582  66  LYS   A O    
734  C CB   . LYS   A 54  ? 0.435694 0.578189 0.543806 0.0149685   0.087444    -0.00933782 66  LYS   A CB   
735  C CG   . LYS   A 54  ? 0.550994 0.700056 0.639273 0.0222275   0.104447    -0.0177012  66  LYS   A CG   
736  C CD   . LYS   A 54  ? 0.656805 0.780813 0.698449 0.0155745   0.106579    -0.0161499  66  LYS   A CD   
737  C CE   . LYS   A 54  ? 0.665714 0.785352 0.682455 0.0269144   0.118313    -0.0306178  66  LYS   A CE   
738  N NZ   . LYS   A 54  ? 0.727853 0.884984 0.760978 0.028652    0.1388      -0.0316744  66  LYS   A NZ   
739  H H    . LYS   A 54  ? 0.493984 0.614892 0.62212  0.0503012   0.0582153   -0.0305803  66  LYS   A H    
740  H HA   . LYS   A 54  ? 0.447784 0.638266 0.621012 0.0239532   0.0894678   -0.0163628  66  LYS   A HA   
741  H HB2  . LYS   A 54  ? 0.454595 0.571217 0.541782 0.0152539   0.0778068   -0.00981557 66  LYS   A HB2  
742  H HB3  . LYS   A 54  ? 0.450615 0.601979 0.564775 0.00252272  0.0908922   0.00095689  66  LYS   A HB3  
743  H HG2  . LYS   A 54  ? 0.549107 0.724794 0.653529 0.0181311   0.116889    -0.0147153  66  LYS   A HG2  
744  H HG3  . LYS   A 54  ? 0.553469 0.698279 0.644075 0.0362347   0.102135    -0.028528   66  LYS   A HG3  
745  H HD2  . LYS   A 54  ? 0.616378 0.717486 0.646444 0.0146673   0.094661    -0.0161828  66  LYS   A HD2  
746  H HD3  . LYS   A 54  ? 0.625875 0.758583 0.664192 0.00433104  0.111504    -0.00597272 66  LYS   A HD3  
747  H HE2  . LYS   A 54  ? 0.686043 0.792744 0.704189 0.03887     0.112731    -0.0402153  66  LYS   A HE2  
748  H HE3  . LYS   A 54  ? 0.68922  0.793653 0.676773 0.0213465   0.118058    -0.0304802  66  LYS   A HE3  
749  H HZ1  . LYS   A 54  ? 0.70564  0.878078 0.766287 0.0365941   0.139442    -0.0360205  66  LYS   A HZ1  
750  H HZ2  . LYS   A 54  ? 0.706567 0.875584 0.742701 0.0168948   0.143337    -0.0204566  66  LYS   A HZ2  
751  H HZ3  . LYS   A 54  ? 0.73094  0.88457  0.743237 0.03353     0.146842    -0.0396349  66  LYS   A HZ3  
752  N N    . PHE   A 55  ? 0.372633 0.549752 0.564986 0.00065051  0.0678907   0.00085468  67  PHE   A N    
753  C CA   . PHE   A 55  ? 0.448572 0.623357 0.662745 -0.0099728  0.0542742   0.00655846  67  PHE   A CA   
754  C C    . PHE   A 55  ? 0.42798  0.605036 0.643597 -0.0303746  0.0637954   0.0222098   67  PHE   A C    
755  O O    . PHE   A 55  ? 0.502309 0.697958 0.718713 -0.0378985  0.0827587   0.0287581   67  PHE   A O    
756  C CB   . PHE   A 55  ? 0.410622 0.617395 0.674394 -0.00800699 0.0482432   -0.00065923 67  PHE   A CB   
757  C CG   . PHE   A 55  ? 0.48069  0.692261 0.74936  0.0152039   0.039341    -0.0156703  67  PHE   A CG   
758  C CD1  . PHE   A 55  ? 0.47535  0.708751 0.749367 0.0279595   0.0539754   -0.0235813  67  PHE   A CD1  
759  C CD2  . PHE   A 55  ? 0.499938 0.691624 0.764369 0.0259146   0.0161734   -0.0220162  67  PHE   A CD2  
760  C CE1  . PHE   A 55  ? 0.460505 0.694227 0.738742 0.0523221   0.0439975   -0.0373098  67  PHE   A CE1  
761  C CE2  . PHE   A 55  ? 0.50331  0.694093 0.767622 0.0491491   0.00618107  -0.0338044  67  PHE   A CE2  
762  C CZ   . PHE   A 55  ? 0.469661 0.680242 0.741904 0.0630017   0.0193145   -0.0412743  67  PHE   A CZ   
763  H H    . PHE   A 55  ? 0.410635 0.605036 0.607309 -0.00402148 0.0818732   0.00371284  67  PHE   A H    
764  H HA   . PHE   A 55  ? 0.414374 0.564904 0.61098  -0.00643943 0.0421451   0.00516262  67  PHE   A HA   
765  H HB2  . PHE   A 55  ? 0.435306 0.667741 0.719734 -0.0159515  0.0614645   0.00238341  67  PHE   A HB2  
766  H HB3  . PHE   A 55  ? 0.427222 0.626332 0.700048 -0.0142282  0.0365011   0.00120649  67  PHE   A HB3  
767  H HD1  . PHE   A 55  ? 0.476445 0.72363  0.750391 0.0207966   0.0705047   -0.0197261  67  PHE   A HD1  
768  H HD2  . PHE   A 55  ? 0.487222 0.664523 0.746768 0.0182179   0.00709215  -0.0182414  67  PHE   A HD2  
769  H HE1  . PHE   A 55  ? 0.477903 0.725422 0.760193 0.0625427   0.0538501   -0.0438659  67  PHE   A HE1  
770  H HE2  . PHE   A 55  ? 0.498032 0.673244 0.755226 0.056438    -0.00981306 -0.0368703  67  PHE   A HE2  
771  H HZ   . PHE   A 55  ? 0.489405 0.696661 0.761212 0.0806364   0.0114049   -0.0493181  67  PHE   A HZ   
772  N N    . ASP   A 56  ? 0.340621 0.494906 0.551666 -0.0381984  0.0507284   0.0284273   68  ASP   A N    
773  C CA   . ASP   A 56  ? 0.351312 0.497377 0.558024 -0.0546779  0.0561409   0.0441664   68  ASP   A CA   
774  C C    . ASP   A 56  ? 0.340195 0.472822 0.566739 -0.061409   0.0396426   0.0445043   68  ASP   A C    
775  O O    . ASP   A 56  ? 0.347861 0.46488  0.568437 -0.052216   0.0236992   0.0351492   68  ASP   A O    
776  C CB   . ASP   A 56  ? 0.331848 0.455065 0.495207 -0.0535162  0.058462    0.0516591   68  ASP   A CB   
777  C CG   . ASP   A 56  ? 0.396796 0.505655 0.552535 -0.0667632  0.0594732   0.068922    68  ASP   A CG   
778  O OD1  . ASP   A 56  ? 0.392338 0.513385 0.565474 -0.0799405  0.0706132   0.0792778   68  ASP   A OD1  
779  O OD2  . ASP   A 56  ? 0.4063   0.491787 0.539052 -0.0639008  0.0495535   0.072336    68  ASP   A OD2  
780  H H    . ASP   A 56  ? 0.353797 0.495759 0.562751 -0.0323067  0.0380415   0.0226984   68  ASP   A H    
781  H HA   . ASP   A 56  ? 0.354121 0.519242 0.575002 -0.0623977  0.068677    0.049089    68  ASP   A HA   
782  H HB2  . ASP   A 56  ? 0.354268 0.486428 0.504968 -0.0503985  0.0691216   0.0505673   68  ASP   A HB2  
783  H HB3  . ASP   A 56  ? 0.340679 0.448682 0.491384 -0.0463896  0.0482133   0.045726    68  ASP   A HB3  
784  N N    . SER   A 57  ? 0.3523   0.487771 0.599275 -0.0783952  0.0440375   0.0553191   69  SER   A N    
785  C CA   . SER   A 57  ? 0.369212 0.487841 0.634067 -0.0854748  0.0279409   0.0539335   69  SER   A CA   
786  C C    . SER   A 57  ? 0.398202 0.497902 0.659458 -0.102457   0.0337685   0.0718932   69  SER   A C    
787  O O    . SER   A 57  ? 0.437213 0.551331 0.702661 -0.114882   0.0520722   0.0842277   69  SER   A O    
788  C CB   . SER   A 57  ? 0.372639 0.517403 0.681984 -0.0887808  0.0211057   0.041947    69  SER   A CB   
789  O OG   . SER   A 57  ? 0.427411 0.558499 0.758724 -0.102618   0.00943959  0.0424043   69  SER   A OG   
790  H H    . SER   A 57  ? 0.366134 0.512221 0.614459 -0.0861579  0.0573873   0.0634391   69  SER   A H    
791  H HA   . SER   A 57  ? 0.361846 0.46212  0.609467 -0.0763664  0.0168495   0.0487443   69  SER   A HA   
792  H HB2  . SER   A 57  ? 0.36986  0.51664  0.675907 -0.0757644  0.0118902   0.0309167   69  SER   A HB2  
793  H HB3  . SER   A 57  ? 0.383011 0.553427 0.70985  -0.0939053  0.0336694   0.0437415   69  SER   A HB3  
795  N N    . SER   A 58  ? 0.382869 0.450504 0.638287 -0.102916   0.0183558   0.0723168   70  SER   A N    
796  C CA   . SER   A 58  ? 0.470442 0.510976 0.721754 -0.116932   0.0199942   0.0891143   70  SER   A CA   
797  C C    . SER   A 58  ? 0.518482 0.571722 0.806582 -0.139959   0.0286734   0.0952664   70  SER   A C    
798  O O    . SER   A 58  ? 0.59789  0.639904 0.879205 -0.15545    0.041641    0.114566    70  SER   A O    
799  C CB   . SER   A 58  ? 0.441753 0.446277 0.681833 -0.109242   0.00117892  0.0845311   70  SER   A CB   
800  O OG   . SER   A 58  ? 0.391607 0.396929 0.65529  -0.107989   -0.0137653  0.0668761   70  SER   A OG   
801  H H    . SER   A 58  ? 0.389818 0.450574 0.642357 -0.0938494  0.0067827   0.0620137   70  SER   A H    
802  H HA   . SER   A 58  ? 0.464928 0.502352 0.693541 -0.115934   0.0290988   0.100061    70  SER   A HA   
803  H HB2  . SER   A 58  ? 0.461893 0.445201 0.698746 -0.117104   0.00138819  0.0958195   70  SER   A HB2  
804  H HB3  . SER   A 58  ? 0.428811 0.42914  0.646289 -0.0967199  -0.00109467 0.0824123   70  SER   A HB3  
806  N N    . HIS   A 59  ? 0.484071 0.563855 0.810584 -0.1427     0.022521    0.0791751   71  HIS   A N    
807  C CA   . HIS   A 59  ? 0.512381 0.615731 0.883614 -0.165738   0.0305173   0.0806008   71  HIS   A CA   
808  C C    . HIS   A 59  ? 0.528604 0.663043 0.904948 -0.177665   0.0583479   0.0938158   71  HIS   A C    
809  O O    . HIS   A 59  ? 0.505189 0.645081 0.905552 -0.202744   0.0706246   0.104515    71  HIS   A O    
810  C CB   . HIS   A 59  ? 0.509747 0.642602 0.919951 -0.160943   0.0153802   0.057706    71  HIS   A CB   
811  C CG   . HIS   A 59  ? 0.535588 0.635709 0.934319 -0.150462   -0.0100817  0.0452323   71  HIS   A CG   
812  N ND1  . HIS   A 59  ? 0.559598 0.624354 0.963683 -0.163983   -0.0211484  0.0468792   71  HIS   A ND1  
813  C CD2  . HIS   A 59  ? 0.526888 0.621072 0.904438 -0.12774    -0.0249324  0.0312994   71  HIS   A CD2  
814  C CE1  . HIS   A 59  ? 0.566335 0.608778 0.954164 -0.148203   -0.0418465  0.0321559   71  HIS   A CE1  
815  N NE2  . HIS   A 59  ? 0.507245 0.567872 0.878295 -0.127179   -0.0436036  0.0235537   71  HIS   A NE2  
816  H H    . HIS   A 59  ? 0.473789 0.558168 0.79895  -0.129923   0.0125736   0.0665962   71  HIS   A H    
817  H HA   . HIS   A 59  ? 0.535745 0.612694 0.908705 -0.177723   0.0262502   0.0874336   71  HIS   A HA   
818  H HB2  . HIS   A 59  ? 0.493723 0.649998 0.902058 -0.147885   0.0186338   0.0511154   71  HIS   A HB2  
819  H HB3  . HIS   A 59  ? 0.522224 0.672466 0.966261 -0.17762    0.0191118   0.0573236   71  HIS   A HB3  
821  H HD2  . HIS   A 59  ? 0.500565 0.609382 0.868533 -0.114816   -0.0226534  0.0271953   71  HIS   A HD2  
822  H HE1  . HIS   A 59  ? 0.571541 0.588049 0.958736 -0.151743   -0.05279    0.0283404   71  HIS   A HE1  
824  N N    . ASP   A 60  ? 0.574538 0.72665  0.925735 -0.161321   0.069605    0.093267    72  ASP   A N    
825  C CA   . ASP   A 60  ? 0.63803  0.814959 0.983259 -0.170364   0.0973837   0.105617    72  ASP   A CA   
826  C C    . ASP   A 60  ? 0.661315 0.802501 0.976579 -0.187722   0.107701    0.131677    72  ASP   A C    
827  O O    . ASP   A 60  ? 0.688495 0.84632  1.01036  -0.206676   0.130834    0.144819    72  ASP   A O    
828  C CB   . ASP   A 60  ? 0.619212 0.812657 0.935106 -0.14911    0.106152    0.0994974   72  ASP   A CB   
829  C CG   . ASP   A 60  ? 0.597802 0.809175 0.925109 -0.126168   0.0925897   0.076507    72  ASP   A CG   
830  O OD1  . ASP   A 60  ? 0.559972 0.798903 0.932719 -0.127626   0.085759    0.0632901   72  ASP   A OD1  
831  O OD2  . ASP   A 60  ? 0.479535 0.675941 0.769267 -0.107411   0.0880744   0.0721538   72  ASP   A OD2  
832  H H    . ASP   A 60  ? 0.550362 0.697887 0.886448 -0.144722   0.0602261   0.0845812   72  ASP   A H    
833  H HA   . ASP   A 60  ? 0.624346 0.83213  1.00569  -0.180681   0.105243    0.101049    72  ASP   A HA   
834  H HB2  . ASP   A 60  ? 0.627846 0.794756 0.907351 -0.143472   0.103344    0.10728     72  ASP   A HB2  
835  H HB3  . ASP   A 60  ? 0.633391 0.850603 0.954407 -0.155896   0.125061    0.103759    72  ASP   A HB3  
836  N N    . ARG   A 61  ? 0.740488 0.833289 1.0218   -0.180253   0.0911628   0.139283    73  ARG   A N    
837  C CA   . ARG   A 61  ? 0.814189 0.865907 1.0648   -0.192773   0.0957898   0.164443    73  ARG   A CA   
838  C C    . ARG   A 61  ? 0.808377 0.831603 1.08624  -0.213636   0.087436    0.169845    73  ARG   A C    
839  O O    . ARG   A 61  ? 0.841673 0.824713 1.09749  -0.226634   0.090819    0.191997    73  ARG   A O    
840  C CB   . ARG   A 61  ? 0.792151 0.808483 0.994273 -0.172149   0.0817027   0.169719    73  ARG   A CB   
841  H H    . ARG   A 61  ? 0.706127 0.791351 0.982766 -0.165971   0.0764691   0.128396    73  ARG   A H    
842  H HA   . ARG   A 61  ? 0.815115 0.880176 1.05737  -0.202115   0.114639    0.175453    73  ARG   A HA   
845  N N    . ASN   A 62  ? 0.726245 0.766178 1.04905  -0.216384   0.07479     0.149507    74  ASN   A N    
846  C CA   . ASN   A 62  ? 0.731651 0.748173 1.08501  -0.238428   0.0662773   0.150313    74  ASN   A CA   
847  C C    . ASN   A 62  ? 0.790943 0.74136  1.11041  -0.23374    0.0504099   0.161798    74  ASN   A C    
848  O O    . ASN   A 62  ? 0.827619 0.741512 1.14726  -0.255117   0.0535422   0.178225    74  ASN   A O    
849  C CB   . ASN   A 62  ? 0.747674 0.782853 1.12719  -0.27153    0.0908762   0.165074    74  ASN   A CB   
850  H H    . ASN   A 62  ? 0.704168 0.768805 1.03727  -0.203991   0.0702323   0.134356    74  ASN   A H    
851  H HA   . ASN   A 62  ? 0.715192 0.747398 1.09578  -0.234727   0.054185    0.132129    74  ASN   A HA   
854  N N    . GLU   A 63  ? 0.818793 0.753183 1.10859  -0.205489   0.0342858   0.153606    75  GLU   A N    
855  C CA   . GLU   A 63  ? 0.864849 0.74298  1.12837  -0.195293   0.0168019   0.159045    75  GLU   A CA   
856  C C    . GLU   A 63  ? 0.769845 0.651386 1.0159   -0.164664   0.00072582  0.141189    75  GLU   A C    
857  O O    . GLU   A 63  ? 0.698132 0.61566  0.936648 -0.152288   0.00686232  0.134051    75  GLU   A O    
858  C CB   . GLU   A 63  ? 0.842385 0.683801 1.06638  -0.199457   0.0258021   0.188712    75  GLU   A CB   
859  H H    . GLU   A 63  ? 0.778703 0.738568 1.06558  -0.191955   0.0344794   0.14376     75  GLU   A H    
860  H HA   . GLU   A 63  ? 0.851796 0.712016 1.13546  -0.205701   0.00849061  0.153916    75  GLU   A HA   
863  N N    . PRO   A 64  ? 0.737479 0.582408 0.977372 -0.152225   -0.0190285  0.132143    76  PRO   A N    
864  C CA   . PRO   A 64  ? 0.657308 0.50747  0.879887 -0.125188   -0.0307486  0.116449    76  PRO   A CA   
865  C C    . PRO   A 64  ? 0.61684  0.4758   0.80549  -0.11133    -0.0234687  0.128569    76  PRO   A C    
866  O O    . PRO   A 64  ? 0.638726 0.477636 0.807432 -0.11665    -0.0173007  0.150784    76  PRO   A O    
867  C CB   . PRO   A 64  ? 0.700087 0.503913 0.919127 -0.116546   -0.0489835  0.110136    76  PRO   A CB   
868  C CG   . PRO   A 64  ? 0.79919  0.577811 1.04304  -0.141202   -0.0502536  0.114237    76  PRO   A CG   
869  C CD   . PRO   A 64  ? 0.84556  0.642501 1.09501  -0.163865   -0.0297876  0.135125    76  PRO   A CD   
870  H HA   . PRO   A 64  ? 0.633958 0.509254 0.86966  -0.122399   -0.032222   0.101587    76  PRO   A HA   
871  H HB2  . PRO   A 64  ? 0.728489 0.51266  0.92677  -0.107384   -0.0507949  0.120548    76  PRO   A HB2  
872  H HB3  . PRO   A 64  ? 0.690611 0.50135  0.912818 -0.105237   -0.057541   0.0926665   76  PRO   A HB3  
873  H HG2  . PRO   A 64  ? 0.82539  0.565001 1.06044  -0.139226   -0.057841   0.119475    76  PRO   A HG2  
874  H HG3  . PRO   A 64  ? 0.779251 0.568938 1.04371  -0.144657   -0.0564323  0.0977942   76  PRO   A HG3  
875  H HD2  . PRO   A 64  ? 0.856984 0.626721 1.0887   -0.167733   -0.0260918  0.153405    76  PRO   A HD2  
876  H HD3  . PRO   A 64  ? 0.827119 0.632468 1.10328  -0.181284   -0.027511   0.130989    76  PRO   A HD3  
877  N N    . PHE   A 65  ? 0.568199 0.453404 0.748183 -0.0940253  -0.0257449  0.113709    77  PHE   A N    
878  C CA   . PHE   A 65  ? 0.53498  0.42947  0.685122 -0.080202   -0.0225743  0.119919    77  PHE   A CA   
879  C C    . PHE   A 65  ? 0.552835 0.422419 0.691193 -0.0620379  -0.0382601  0.115342    77  PHE   A C    
880  O O    . PHE   A 65  ? 0.532782 0.396043 0.683487 -0.0545041  -0.0485986  0.0975622   77  PHE   A O    
881  C CB   . PHE   A 65  ? 0.494093 0.427744 0.643835 -0.0750065  -0.0153098  0.10637     77  PHE   A CB   
882  C CG   . PHE   A 65  ? 0.478399 0.424037 0.599584 -0.0626149  -0.0130174  0.108212    77  PHE   A CG   
883  C CD1  . PHE   A 65  ? 0.538703 0.495109 0.640093 -0.0672811  -0.00094619 0.122308    77  PHE   A CD1  
884  C CD2  . PHE   A 65  ? 0.432769 0.381271 0.547049 -0.0472825  -0.0225338  0.0938269   77  PHE   A CD2  
885  C CE1  . PHE   A 65  ? 0.547738 0.515541 0.623238 -0.0566979  -0.00138294 0.121184    77  PHE   A CE1  
886  C CE2  . PHE   A 65  ? 0.469943 0.432116 0.562436 -0.0384844  -0.0214703  0.0936928   77  PHE   A CE2  
887  C CZ   . PHE   A 65  ? 0.519436 0.491064 0.592976 -0.0431811  -0.0121385  0.106456    77  PHE   A CZ   
888  H H    . PHE   A 65  ? 0.545403 0.442215 0.73812  -0.0916327  -0.0298608  0.0990722   77  PHE   A H    
889  H HA   . PHE   A 65  ? 0.562071 0.452203 0.700529 -0.0870116  -0.0148455  0.136162    77  PHE   A HA   
890  H HB2  . PHE   A 65  ? 0.490605 0.439357 0.649664 -0.0852835  -0.00537942 0.109641    77  PHE   A HB2  
891  H HB3  . PHE   A 65  ? 0.476885 0.413193 0.636709 -0.070006   -0.0221928  0.0918475   77  PHE   A HB3  
892  H HD1  . PHE   A 65  ? 0.543498 0.500215 0.648665 -0.0783843  0.00781784  0.132055    77  PHE   A HD1  
893  H HD2  . PHE   A 65  ? 0.445416 0.386759 0.570006 -0.0436388  -0.0296558  0.0837871   77  PHE   A HD2  
894  H HE1  . PHE   A 65  ? 0.551701 0.525855 0.61122  -0.0596991  0.00615343  0.129788    77  PHE   A HE1  
895  H HE2  . PHE   A 65  ? 0.456851 0.423334 0.547665 -0.0301329  -0.0266664  0.0836406   77  PHE   A HE2  
896  H HZ   . PHE   A 65  ? 0.508148 0.48912  0.566887 -0.0378294  -0.0127764  0.104992    77  PHE   A HZ   
897  N N    . VAL   A 66  ? 0.624469 0.480827 0.738382 -0.0541324  -0.0403069  0.131084    78  VAL   A N    
898  C CA   . VAL   A 66  ? 0.6265   0.459879 0.732347 -0.0349331  -0.0559969  0.128627    78  VAL   A CA   
899  C C    . VAL   A 66  ? 0.561277 0.420023 0.647442 -0.0203828  -0.0570557  0.12791     78  VAL   A C    
900  O O    . VAL   A 66  ? 0.652645 0.524988 0.720629 -0.0265136  -0.0481492  0.140614    78  VAL   A O    
901  C CB   . VAL   A 66  ? 0.639443 0.424658 0.736665 -0.0364646  -0.0634526  0.14831     78  VAL   A CB   
902  C CG1  . VAL   A 66  ? 0.689581 0.454753 0.778193 -0.0113812  -0.0807555  0.145241    78  VAL   A CG1  
903  C CG2  . VAL   A 66  ? 0.684643 0.442391 0.804405 -0.0530591  -0.0639294  0.145949    78  VAL   A CG2  
904  H H    . VAL   A 66  ? 0.615641 0.478647 0.717387 -0.0598716  -0.0320797  0.143162    78  VAL   A H    
905  H HA   . VAL   A 66  ? 0.597635 0.430975 0.716575 -0.0295943  -0.061633   0.112914    78  VAL   A HA   
906  H HB   . VAL   A 66  ? 0.673779 0.458179 0.755211 -0.0435839  -0.0564813  0.165277    78  VAL   A HB   
907  H HG11 . VAL   A 66  ? 0.661721 0.434001 0.763961 -0.00317671 -0.0855384  0.126997    78  VAL   A HG11 
908  H HG12 . VAL   A 66  ? 0.675624 0.456896 0.749883 -0.0028206  -0.0814213  0.149547    78  VAL   A HG12 
909  H HG13 . VAL   A 66  ? 0.719758 0.448879 0.803513 -0.0117105  -0.0866171  0.156691    78  VAL   A HG13 
910  H HG21 . VAL   A 66  ? 0.716201 0.438304 0.829296 -0.0533506  -0.0696225  0.157556    78  VAL   A HG21 
911  H HG22 . VAL   A 66  ? 0.669253 0.440864 0.795935 -0.0693871  -0.0528367  0.150354    78  VAL   A HG22 
912  H HG23 . VAL   A 66  ? 0.659464 0.421355 0.793149 -0.0471867  -0.0698695  0.127864    78  VAL   A HG23 
913  N N    . PHE   A 67  ? 0.560484 0.428847 0.651677 -0.00260107 -0.0668233  0.110905    79  PHE   A N    
914  C CA   . PHE   A 67  ? 0.497907 0.392799 0.57618  0.0104079   -0.0699529  0.107799    79  PHE   A CA   
915  C C    . PHE   A 67  ? 0.531816 0.426036 0.621572 0.0313668   -0.0833242  0.092834    79  PHE   A C    
916  O O    . PHE   A 67  ? 0.51204  0.385944 0.616657 0.0355555   -0.0881023  0.0828068   79  PHE   A O    
917  C CB   . PHE   A 67  ? 0.468689 0.400792 0.545406 0.00227501  -0.0576426  0.0964652   79  PHE   A CB   
918  C CG   . PHE   A 67  ? 0.412532 0.358198 0.505328 0.00467586  -0.0562278  0.0735454   79  PHE   A CG   
919  C CD1  . PHE   A 67  ? 0.426092 0.360904 0.532262 -0.00378551 -0.0532215  0.0670663   79  PHE   A CD1  
920  C CD2  . PHE   A 67  ? 0.427526 0.397149 0.521215 0.014525    -0.0580895  0.0584411   79  PHE   A CD2  
921  C CE1  . PHE   A 67  ? 0.370358 0.314682 0.483774 -0.00119682 -0.0525426  0.0477166   79  PHE   A CE1  
922  C CE2  . PHE   A 67  ? 0.399963 0.378258 0.502647 0.015413    -0.0548722  0.0396806   79  PHE   A CE2  
923  C CZ   . PHE   A 67  ? 0.378061 0.34225  0.487238 0.00809243  -0.0522254  0.0348517   79  PHE   A CZ   
924  H H    . PHE   A 67  ? 0.543368 0.403056 0.647174 0.00093226  -0.071404   0.100011    79  PHE   A H    
925  H HA   . PHE   A 67  ? 0.538032 0.425715 0.600352 0.0108865   -0.0716378  0.123075    79  PHE   A HA   
926  H HB2  . PHE   A 67  ? 0.458622 0.406101 0.524224 0.0070054   -0.0589282  0.0974991   79  PHE   A HB2  
927  H HB3  . PHE   A 67  ? 0.460573 0.392095 0.534482 -0.0096531  -0.0489682  0.10358     79  PHE   A HB3  
928  H HD1  . PHE   A 67  ? 0.424821 0.347062 0.534001 -0.012367   -0.0512707  0.07622     79  PHE   A HD1  
929  H HD2  . PHE   A 67  ? 0.422282 0.402276 0.510049 0.0203139   -0.061743   0.0611645   79  PHE   A HD2  
930  H HE1  . PHE   A 67  ? 0.382039 0.319234 0.502941 -0.00625185 -0.0524042  0.0432903   79  PHE   A HE1  
931  H HE2  . PHE   A 67  ? 0.387356 0.382745 0.49049  0.0199499   -0.0540843  0.0301708   79  PHE   A HE2  
932  H HZ   . PHE   A 67  ? 0.367552 0.336015 0.47849  0.00924553  -0.0506775  0.0227025   79  PHE   A HZ   
933  N N    . SER   A 68  ? 0.539838 0.455818 0.623004 0.0451027   -0.0902367  0.0913818   80  SER   A N    
934  C CA   . SER   A 68  ? 0.525418 0.450106 0.623354 0.0666422   -0.101941   0.0764426   80  SER   A CA   
935  C C    . SER   A 68  ? 0.468337 0.434938 0.577645 0.0643742   -0.0929874  0.0541124   80  SER   A C    
936  O O    . SER   A 68  ? 0.451042 0.446377 0.551534 0.056241    -0.0868169  0.0539214   80  SER   A O    
937  C CB   . SER   A 68  ? 0.584902 0.511386 0.673364 0.0839346   -0.116936   0.0872899   80  SER   A CB   
938  O OG   . SER   A 68  ? 0.707242 0.58649  0.780624 0.086694    -0.125518   0.109701    80  SER   A OG   
939  H H    . SER   A 68  ? 0.532848 0.460759 0.602882 0.0410375   -0.087612   0.099005    80  SER   A H    
940  H HA   . SER   A 68  ? 0.543301 0.444853 0.650143 0.0711744   -0.105651   0.0727414   80  SER   A HA   
941  H HB2  . SER   A 68  ? 0.584107 0.531828 0.661826 0.078636    -0.114196   0.0908798   80  SER   A HB2  
942  H HB3  . SER   A 68  ? 0.592009 0.531288 0.694748 0.0988689   -0.123901   0.0748157   80  SER   A HB3  
944  N N    . LEU   A 69  ? 0.428636 0.395078 0.554163 0.0698808   -0.0913011  0.0354134   81  LEU   A N    
945  C CA   . LEU   A 69  ? 0.379998 0.378528 0.511227 0.0641271   -0.0798718  0.0162441   81  LEU   A CA   
946  C C    . LEU   A 69  ? 0.389095 0.428566 0.528106 0.0725539   -0.0816292  0.00730964  81  LEU   A C    
947  O O    . LEU   A 69  ? 0.414693 0.461426 0.566637 0.0915996   -0.0932935  0.00408798  81  LEU   A O    
948  C CB   . LEU   A 69  ? 0.405139 0.391641 0.547415 0.070773    -0.078909   -0.00119513 81  LEU   A CB   
949  C CG   . LEU   A 69  ? 0.403207 0.41476  0.544901 0.0637748   -0.0657477  -0.0194684  81  LEU   A CG   
950  C CD1  . LEU   A 69  ? 0.367245 0.373772 0.494032 0.0443189   -0.0563655  -0.0139654  81  LEU   A CD1  
951  C CD2  . LEU   A 69  ? 0.474595 0.474642 0.62395  0.075059    -0.0667443  -0.0373385  81  LEU   A CD2  
952  H H    . LEU   A 69  ? 0.451069 0.394857 0.58202  0.0771686   -0.0971819  0.0346681   81  LEU   A H    
953  H HA   . LEU   A 69  ? 0.377138 0.377648 0.499236 0.0502306   -0.0717921  0.0199822   81  LEU   A HA   
954  H HB2  . LEU   A 69  ? 0.414259 0.374462 0.553433 0.0653118   -0.0801673  0.00413713  81  LEU   A HB2  
955  H HB3  . LEU   A 69  ? 0.421154 0.406416 0.573081 0.0859885   -0.0864496  -0.00609134 81  LEU   A HB3  
956  H HG   . LEU   A 69  ? 0.395981 0.435014 0.54159  0.0657102   -0.0630327  -0.0241327  81  LEU   A HG   
957  H HD11 . LEU   A 69  ? 0.365291 0.380761 0.486466 0.0381552   -0.0546489  -0.00474914 81  LEU   A HD11 
958  H HD12 . LEU   A 69  ? 0.363038 0.380033 0.486213 0.0409738   -0.049051   -0.0246233  81  LEU   A HD12 
959  H HD13 . LEU   A 69  ? 0.380961 0.364621 0.507029 0.0415704   -0.0595537  -0.00941755 81  LEU   A HD13 
960  H HD21 . LEU   A 69  ? 0.46682  0.47205  0.627282 0.0894547   -0.0724346  -0.0421472  81  LEU   A HD21 
961  H HD22 . LEU   A 69  ? 0.466964 0.439696 0.613414 0.0726675   -0.0708234  -0.0339184  81  LEU   A HD22 
962  H HD23 . LEU   A 69  ? 0.444604 0.459013 0.589916 0.07043     -0.0576789  -0.0480463  81  LEU   A HD23 
963  N N    . GLY   A 70  ? 0.412018 0.477545 0.543979 0.0576577   -0.070415   0.00281031  82  GLY   A N    
964  C CA   . GLY   A 70  ? 0.407838 0.515819 0.549383 0.0583979   -0.0685129  -0.00942176 82  GLY   A CA   
965  C C    . GLY   A 70  ? 0.442674 0.566273 0.5795   0.0622088   -0.0800942  0.00098044  82  GLY   A C    
966  O O    . GLY   A 70  ? 0.506577 0.668708 0.656964 0.0649005   -0.082764   -0.010285   82  GLY   A O    
967  H H    . GLY   A 70  ? 0.392804 0.448621 0.514243 0.045999    -0.0637509  0.00719711  82  GLY   A H    
968  H HA2  . GLY   A 70  ? 0.395613 0.512212 0.53104  0.045497    -0.0578266  -0.0147234  82  GLY   A HA2  
969  H HA3  . GLY   A 70  ? 0.413975 0.533291 0.571347 0.0691179   -0.0701892  -0.0207577  82  GLY   A HA3  
970  N N    . LYS   A 71  ? 0.453528 0.549833 0.570713 0.0611392   -0.0864016  0.0214779   83  LYS   A N    
971  C CA   . LYS   A 71  ? 0.48618  0.592386 0.590898 0.0660297   -0.0987378  0.0329873   83  LYS   A CA   
972  C C    . LYS   A 71  ? 0.507675 0.622625 0.589809 0.0466401   -0.0890862  0.036557    83  LYS   A C    
973  O O    . LYS   A 71  ? 0.546952 0.669005 0.611981 0.0475682   -0.0974117  0.0451903   83  LYS   A O    
974  C CB   . LYS   A 71  ? 0.505253 0.573962 0.595722 0.0774727   -0.11141    0.0549142   83  LYS   A CB   
975  H H    . LYS   A 71  ? 0.460203 0.531547 0.570492 0.0565427   -0.08262    0.0284327   83  LYS   A H    
976  H HA   . LYS   A 71  ? 0.485486 0.618318 0.604704 0.074988    -0.105834   0.0233276   83  LYS   A HA   
979  N N    . GLY   A 72  ? 0.495057 0.60841  0.574491 0.0304258   -0.0724947  0.0290275   84  GLY   A N    
980  C CA   . GLY   A 72  ? 0.504438 0.622678 0.562648 0.0145402   -0.0634558  0.0302763   84  GLY   A CA   
981  C C    . GLY   A 72  ? 0.49324  0.586176 0.526923 0.010858    -0.0614963  0.0500558   84  GLY   A C    
982  O O    . GLY   A 72  ? 0.472877 0.571678 0.485131 0.0027402   -0.0577209  0.0525765   84  GLY   A O    
983  H H    . GLY   A 72  ? 0.485181 0.592848 0.574646 0.030184    -0.0672343  0.0226203   84  GLY   A H    
984  H HA2  . GLY   A 72  ? 0.479355 0.596792 0.539529 0.00596479  -0.0530637  0.0224226   84  GLY   A HA2  
985  H HA3  . GLY   A 72  ? 0.496561 0.636356 0.553951 0.0142965   -0.0684369  0.0248221   84  GLY   A HA3  
986  N N    . GLN   A 73  ? 0.477277 0.541994 0.513656 0.0152982   -0.0625943  0.0630109   85  GLN   A N    
987  C CA   . GLN   A 73  ? 0.466139 0.50828  0.483341 0.00793827  -0.0563073  0.081521    85  GLN   A CA   
988  C C    . GLN   A 73  ? 0.441115 0.481356 0.460216 -0.00572673 -0.0396504  0.0758501   85  GLN   A C    
989  O O    . GLN   A 73  ? 0.439939 0.472425 0.44606  -0.0140384  -0.0302033  0.0864411   85  GLN   A O    
990  C CB   . GLN   A 73  ? 0.505732 0.51618  0.52787  0.0136339   -0.0621905  0.0967691   85  GLN   A CB   
991  C CG   . GLN   A 73  ? 0.552937 0.557406 0.573391 0.0313354   -0.080876   0.103639    85  GLN   A CG   
992  C CD   . GLN   A 73  ? 0.566039 0.531408 0.591637 0.0377637   -0.0876008  0.116771    85  GLN   A CD   
993  O OE1  . GLN   A 73  ? 0.522428 0.468519 0.559466 0.0287056   -0.0795005  0.116701    85  GLN   A OE1  
994  N NE2  . GLN   A 73  ? 0.639184 0.590405 0.656221 0.0543095   -0.104535   0.127727    85  GLN   A NE2  
995  H H    . GLN   A 73  ? 0.475583 0.53512  0.526762 0.0222589   -0.0666066  0.0595565   85  GLN   A H    
996  H HA   . GLN   A 73  ? 0.488476 0.536667 0.487385 0.00740406  -0.0584164  0.0875057   85  GLN   A HA   
997  H HB2  . GLN   A 73  ? 0.493008 0.496979 0.531757 0.0130789   -0.0599089  0.0896491   85  GLN   A HB2  
998  H HB3  . GLN   A 73  ? 0.519432 0.517706 0.528971 0.00609749  -0.0559619  0.109204    85  GLN   A HB3  
999  H HG2  . GLN   A 73  ? 0.56262  0.570784 0.563406 0.0320586   -0.0844593  0.112495    85  GLN   A HG2  
1000 H HG3  . GLN   A 73  ? 0.531255 0.554053 0.566098 0.0389096   -0.0861737  0.0900004   85  GLN   A HG3  
1001 H HE21 . GLN   A 73  ? 0.649824 0.573694 0.667518 0.0584709   -0.10922    0.136181    85  GLN   A HE21 
1002 H HE22 . GLN   A 73  ? 0.631555 0.599763 0.642007 0.0615792   -0.112032   0.126455    85  GLN   A HE22 
1003 N N    . VAL   A 74  ? 0.350131 0.397873 0.385126 -0.00695121 -0.0360657  0.0591471   86  VAL   A N    
1004 C CA   . VAL   A 74  ? 0.32409  0.369254 0.360553 -0.0160654  -0.0240299  0.0521736   86  VAL   A CA   
1005 C C    . VAL   A 74  ? 0.325888 0.387188 0.359068 -0.0194068  -0.0202666  0.0357341   86  VAL   A C    
1006 O O    . VAL   A 74  ? 0.347671 0.425317 0.384667 -0.0157486  -0.0265954  0.0285342   86  VAL   A O    
1007 C CB   . VAL   A 74  ? 0.308512 0.336379 0.363587 -0.0144565  -0.0253088  0.0513222   86  VAL   A CB   
1008 C CG1  . VAL   A 74  ? 0.328181 0.336861 0.386632 -0.0158998  -0.0274541  0.0681252   86  VAL   A CG1  
1009 C CG2  . VAL   A 74  ? 0.295878 0.325486 0.364453 -0.00524511 -0.0329672  0.0395491   86  VAL   A CG2  
1010 H H    . VAL   A 74  ? 0.359992 0.414713 0.404644 -0.00090624 -0.0417935  0.0518624   86  VAL   A H    
1011 H HA   . VAL   A 74  ? 0.333035 0.376315 0.35951  -0.0210557  -0.0181383  0.0588539   86  VAL   A HA   
1012 H HB   . VAL   A 74  ? 0.298396 0.326009 0.354165 -0.0192265  -0.0190224  0.0462169   86  VAL   A HB   
1013 H HG11 . VAL   A 74  ? 0.343814 0.348247 0.398921 -0.0101106  -0.0345813  0.0745853   86  VAL   A HG11 
1014 H HG12 . VAL   A 74  ? 0.331941 0.342608 0.382725 -0.0224087  -0.0203156  0.0747479   86  VAL   A HG12 
1015 H HG13 . VAL   A 74  ? 0.326427 0.324568 0.397517 -0.0163481  -0.0288042  0.065492    86  VAL   A HG13 
1016 H HG21 . VAL   A 74  ? 0.298733 0.315858 0.376201 -0.00440506 -0.0340957  0.0378595   86  VAL   A HG21 
1017 H HG22 . VAL   A 74  ? 0.287614 0.329119 0.354068 -0.00689926 -0.0294243  0.0294182   86  VAL   A HG22 
1018 H HG23 . VAL   A 74  ? 0.309597 0.340848 0.379628 0.00159657  -0.0401826  0.0433488   86  VAL   A HG23 
1019 N N    . ILE   A 75  ? 0.297094 0.353299 0.325264 -0.0261431  -0.010509   0.0296041   87  ILE   A N    
1020 C CA   . ILE   A 75  ? 0.281276 0.343581 0.302075 -0.03165    -0.00544167 0.0158794   87  ILE   A CA   
1021 C C    . ILE   A 75  ? 0.25694  0.323949 0.290859 -0.028895   -0.00811406 0.00610511  87  ILE   A C    
1022 O O    . ILE   A 75  ? 0.295495 0.354895 0.343092 -0.0216462  -0.012742   0.00771857  87  ILE   A O    
1023 C CB   . ILE   A 75  ? 0.299618 0.348364 0.310278 -0.036078   0.00375387  0.0129754   87  ILE   A CB   
1024 C CG1  . ILE   A 75  ? 0.269883 0.305916 0.292969 -0.0321333  0.00301884  0.0154842   87  ILE   A CG1  
1025 C CG2  . ILE   A 75  ? 0.311861 0.362293 0.307388 -0.0386975  0.00912707  0.0174749   87  ILE   A CG2  
1026 C CD1  . ILE   A 75  ? 0.307336 0.332279 0.322846 -0.0328807  0.00877384  0.0112846   87  ILE   A CD1  
1027 H H    . ILE   A 75  ? 0.299759 0.347649 0.329066 -0.0274282  -0.00707032 0.0344476   87  ILE   A H    
1028 H HA   . ILE   A 75  ? 0.288881 0.36141  0.301695 -0.0341319  -0.00637335 0.014331    87  ILE   A HA   
1029 H HB   . ILE   A 75  ? 0.291129 0.338681 0.295629 -0.0397667  0.00647118  0.00474114  87  ILE   A HB   
1030 H HG12 . ILE   A 75  ? 0.285465 0.321656 0.315929 -0.0305513  0.00119937  0.0237031   87  ILE   A HG12 
1031 H HG13 . ILE   A 75  ? 0.280202 0.314818 0.309705 -0.0300523  -0.00035689 0.0114108   87  ILE   A HG13 
1032 H HG21 . ILE   A 75  ? 0.312092 0.354722 0.302097 -0.0396831  0.0145497   0.0137408   87  ILE   A HG21 
1033 H HG22 . ILE   A 75  ? 0.314276 0.36554  0.314065 -0.0365124  0.00839687  0.0265846   87  ILE   A HG22 
1034 H HG23 . ILE   A 75  ? 0.317046 0.375359 0.30345  -0.0414263  0.007885    0.0144458   87  ILE   A HG23 
1035 H HD11 . ILE   A 75  ? 0.298759 0.319259 0.303255 -0.0352865  0.0110295   0.00451876  87  ILE   A HD11 
1036 H HD12 . ILE   A 75  ? 0.292912 0.312156 0.317821 -0.0300001  0.00599807  0.0116288   87  ILE   A HD12 
1037 H HD13 . ILE   A 75  ? 0.29962  0.326996 0.311382 -0.0334627  0.0127312   0.0145345   87  ILE   A HD13 
1038 N N    . LYS   A 76  ? 0.283748 0.361235 0.312343 -0.036076   -0.00351529 -0.00518663 88  LYS   A N    
1039 C CA   . LYS   A 76  ? 0.27448  0.36291  0.314846 -0.0353888  -0.00248821 -0.0156654  88  LYS   A CA   
1040 C C    . LYS   A 76  ? 0.285425 0.354286 0.325466 -0.0316916  0.00028747  -0.0170687  88  LYS   A C    
1041 O O    . LYS   A 76  ? 0.303078 0.376631 0.355988 -0.0243578  -0.00228849 -0.0222478  88  LYS   A O    
1042 C CB   . LYS   A 76  ? 0.3074   0.41002  0.340905 -0.0487654  0.00458903  -0.0264871  88  LYS   A CB   
1043 H H    . LYS   A 76  ? 0.27964  0.357374 0.296954 -0.0422218  -8.422e-05  -0.00687516 88  LYS   A H    
1044 H HA   . LYS   A 76  ? 0.28384  0.38467  0.337334 -0.0282608  -0.00928978 -0.0148707  88  LYS   A HA   
1047 N N    . ALA   A 77  ? 0.280838 0.328742 0.305278 -0.0356523  0.00491066  -0.0146316  89  ALA   A N    
1048 C CA   . ALA   A 77  ? 0.279766 0.309435 0.300419 -0.0319907  0.00503563  -0.0168328  89  ALA   A CA   
1049 C C    . ALA   A 77  ? 0.324163 0.351019 0.362807 -0.0221497  -0.00407355 -0.0136343  89  ALA   A C    
1050 O O    . ALA   A 77  ? 0.270111 0.289164 0.309455 -0.017704   -0.00581872 -0.0204703  89  ALA   A O    
1051 C CB   . ALA   A 77  ? 0.27082  0.280898 0.275734 -0.0339386  0.00744747  -0.0140801  89  ALA   A CB   
1052 H H    . ALA   A 77  ? 0.28341  0.328576 0.29896  -0.0397231  0.00718191  -0.0122963  89  ALA   A H    
1053 H HA   . ALA   A 77  ? 0.29046  0.322399 0.306574 -0.0344123  0.00926214  -0.0238784  89  ALA   A HA   
1054 H HB1  . ALA   A 77  ? 0.282097 0.288615 0.27329  -0.0399963  0.0130937   -0.0168353  89  ALA   A HB1  
1055 H HB2  . ALA   A 77  ? 0.271435 0.282488 0.281722 -0.0322598  0.00531766  -0.0081677  89  ALA   A HB2  
1056 H HB3  . ALA   A 77  ? 0.279584 0.279056 0.282112 -0.0304991  0.00527818  -0.0158503  89  ALA   A HB3  
1057 N N    . TRP   A 78  ? 0.277042 0.306402 0.32668  -0.0195851  -0.00951676 -0.00334891 90  TRP   A N    
1058 C CA   . TRP   A 78  ? 0.312647 0.332802 0.378222 -0.0126448  -0.0181051  0.00090555  90  TRP   A CA   
1059 C C    . TRP   A 78  ? 0.328702 0.355208 0.405548 -0.00367496 -0.0234433  -0.00521005 90  TRP   A C    
1060 O O    . TRP   A 78  ? 0.292699 0.306787 0.377348 0.00265451  -0.0286456  -0.0103066  90  TRP   A O    
1061 C CB   . TRP   A 78  ? 0.300259 0.318178 0.370314 -0.0147655  -0.0200084  0.0156083   90  TRP   A CB   
1062 C CG   . TRP   A 78  ? 0.263064 0.272549 0.335612 -0.0197318  -0.0174648  0.0199269   90  TRP   A CG   
1063 C CD1  . TRP   A 78  ? 0.258104 0.267613 0.322631 -0.0226115  -0.0121583  0.0156437   90  TRP   A CD1  
1064 C CD2  . TRP   A 78  ? 0.294806 0.295179 0.38272  -0.0219866  -0.0211427  0.0291582   90  TRP   A CD2  
1065 N NE1  . TRP   A 78  ? 0.263958 0.271235 0.341206 -0.0247942  -0.012698   0.0201963   90  TRP   A NE1  
1066 C CE2  . TRP   A 78  ? 0.27453  0.277152 0.36737  -0.0265113  -0.0173415  0.0282834   90  TRP   A CE2  
1067 C CE3  . TRP   A 78  ? 0.333182 0.321946 0.431664 -0.0208989  -0.027556   0.0377839   90  TRP   A CE3  
1068 C CZ2  . TRP   A 78  ? 0.295458 0.295747 0.407817 -0.032316   -0.0185416  0.0346567   90  TRP   A CZ2  
1069 C CZ3  . TRP   A 78  ? 0.345144 0.324334 0.458255 -0.0281936  -0.0282246  0.0453374   90  TRP   A CZ3  
1070 C CH2  . TRP   A 78  ? 0.298866 0.287251 0.420397 -0.0350291  -0.0228767  0.0437396   90  TRP   A CH2  
1071 H H    . TRP   A 78  ? 0.292669 0.327337 0.338001 -0.0227795  -0.00760782 0.00104213  90  TRP   A H    
1072 H HA   . TRP   A 78  ? 0.306067 0.315551 0.371427 -0.0124932  -0.0191066  -0.00219932 90  TRP   A HA   
1073 H HB2  . TRP   A 78  ? 0.29405  0.32171  0.356585 -0.0170204  -0.017131   0.018321    90  TRP   A HB2  
1074 H HB3  . TRP   A 78  ? 0.302315 0.315394 0.38114  -0.0104628  -0.0258733  0.0195801   90  TRP   A HB3  
1075 H HD1  . TRP   A 78  ? 0.258051 0.269028 0.310438 -0.0232232  -0.00852039 0.0103133   90  TRP   A HD1  
1076 H HE1  . TRP   A 78  ? 0.262529 0.270773 0.33893  -0.0249113  -0.0108193  0.0179234   90  TRP   A HE1  
1077 H HE3  . TRP   A 78  ? 0.332964 0.319926 0.429538 -0.0154414  -0.0315812  0.0380214   90  TRP   A HE3  
1078 H HZ2  . TRP   A 78  ? 0.286122 0.292782 0.405337 -0.0344732  -0.0163085  0.032936    90  TRP   A HZ2  
1079 H HZ3  . TRP   A 78  ? 0.349026 0.31605  0.467294 -0.0288484  -0.0321364  0.0522691   90  TRP   A HZ3  
1080 H HH2  . TRP   A 78  ? 0.317392 0.302794 0.452551 -0.0412747  -0.0230569  0.0482766   90  TRP   A HH2  
1081 N N    . ASP   A 79  ? 0.300751 0.347347 0.380028 -0.00189831 -0.023601   -0.0057161  91  ASP   A N    
1082 C CA   . ASP   A 79  ? 0.285585 0.345238 0.379514 0.00920406  -0.0288727  -0.0132813  91  ASP   A CA   
1083 C C    . ASP   A 79  ? 0.308489 0.372609 0.402336 0.0100551   -0.0217074  -0.0295978  91  ASP   A C    
1084 O O    . ASP   A 79  ? 0.349913 0.409658 0.454255 0.0213835   -0.0258493  -0.0374179  91  ASP   A O    
1085 C CB   . ASP   A 79  ? 0.35852  0.445037 0.456093 0.00972135  -0.0313051  -0.0123076  91  ASP   A CB   
1086 C CG   . ASP   A 79  ? 0.348227 0.42974  0.445759 0.0162529   -0.0426568  0.00302523  91  ASP   A CG   
1087 O OD1  . ASP   A 79  ? 0.35227  0.408681 0.452007 0.0224496   -0.0491941  0.0130917   91  ASP   A OD1  
1088 O OD2  . ASP   A 79  ? 0.319225 0.422134 0.414627 0.0158832   -0.0463858  0.00415904  91  ASP   A OD2  
1089 H H    . ASP   A 79  ? 0.299424 0.353029 0.371728 -0.00719334 -0.0208989  -0.00209933 91  ASP   A H    
1090 H HA   . ASP   A 79  ? 0.315612 0.362575 0.416693 0.0164422   -0.0361994  -0.00855331 91  ASP   A HA   
1091 H HB2  . ASP   A 79  ? 0.328153 0.421474 0.415932 -0.00015801 -0.0248908  -0.0135388  91  ASP   A HB2  
1092 H HB3  . ASP   A 79  ? 0.335396 0.437823 0.444338 0.015533    -0.0319337  -0.0216692  91  ASP   A HB3  
1093 N N    . ILE   A 80  ? 0.326805 0.394755 0.404874 -0.00187026 -0.0104116  -0.0346077  92  ILE   A N    
1094 C CA   . ILE   A 80  ? 0.336345 0.404904 0.406287 -0.00324371 -0.00132335 -0.0478616  92  ILE   A CA   
1095 C C    . ILE   A 80  ? 0.35798  0.398182 0.41826  0.001303    -0.00550344 -0.0490911  92  ILE   A C    
1096 O O    . ILE   A 80  ? 0.311757 0.349742 0.373032 0.00917963  -0.00516282 -0.0605613  92  ILE   A O    
1097 C CB   . ILE   A 80  ? 0.343844 0.416269 0.39443  -0.0191221  0.0111157   -0.0490284  92  ILE   A CB   
1098 C CG1  . ILE   A 80  ? 0.446898 0.552079 0.511019 -0.0247699  0.0149641   -0.0534569  92  ILE   A CG1  
1099 C CG2  . ILE   A 80  ? 0.48897  0.549078 0.51787  -0.0238695  0.0214824   -0.056954   92  ILE   A CG2  
1100 C CD1  . ILE   A 80  ? 0.570184 0.672087 0.61604  -0.0421893  0.0232032   -0.0511027  92  ILE   A CD1  
1101 H H    . ILE   A 80  ? 0.31804  0.386266 0.388039 -0.00922319 -0.00799637 -0.0295182  92  ILE   A H    
1102 H HA   . ILE   A 80  ? 0.34229  0.427117 0.42464  0.00275643  -0.00069187 -0.0555727  92  ILE   A HA   
1103 H HB   . ILE   A 80  ? 0.380785 0.440649 0.42281  -0.0229393  0.00908311  -0.0411203  92  ILE   A HB   
1104 H HG12 . ILE   A 80  ? 0.445988 0.566748 0.517634 -0.0236173  0.0204025   -0.0629062  92  ILE   A HG12 
1105 H HG13 . ILE   A 80  ? 0.435164 0.548525 0.512632 -0.0181709  0.00628739  -0.0492381  92  ILE   A HG13 
1106 H HG21 . ILE   A 80  ? 0.450651 0.511235 0.46706  -0.0346238  0.0296017   -0.0568393  92  ILE   A HG21 
1107 H HG22 . ILE   A 80  ? 0.450076 0.521986 0.486558 -0.0191523  0.0244127   -0.0655553  92  ILE   A HG22 
1108 H HG23 . ILE   A 80  ? 0.447728 0.487037 0.466422 -0.0208322  0.0170163   -0.0538114  92  ILE   A HG23 
1109 H HD11 . ILE   A 80  ? 0.526853 0.613991 0.565047 -0.0420147  0.0187157   -0.04301    92  ILE   A HD11 
1110 H HD12 . ILE   A 80  ? 0.52831  0.65262  0.584734 -0.0467621  0.0241251   -0.0549082  92  ILE   A HD12 
1111 H HD13 . ILE   A 80  ? 0.539587 0.631107 0.570277 -0.0489195  0.031867    -0.0543521  92  ILE   A HD13 
1112 N N    . GLY   A 81  ? 0.284652 0.306047 0.337222 -0.00304763 -0.00992476 -0.0389785  93  GLY   A N    
1113 C CA   . GLY   A 81  ? 0.323182 0.321696 0.367822 -0.00106697 -0.0156707  -0.0404563  93  GLY   A CA   
1114 C C    . GLY   A 81  ? 0.317221 0.304431 0.379216 0.00823916  -0.0271568  -0.0430163  93  GLY   A C    
1115 O O    . GLY   A 81  ? 0.317101 0.293385 0.37347  0.0136541   -0.0302531  -0.0543745  93  GLY   A O    
1116 H H    . GLY   A 81  ? 0.300087 0.3252   0.353309 -0.00725229 -0.00959913 -0.031655   93  GLY   A H    
1117 H HA2  . GLY   A 81  ? 0.321753 0.316729 0.351246 -0.00199638 -0.0110536  -0.0474929  93  GLY   A HA2  
1118 H HA3  . GLY   A 81  ? 0.308071 0.300639 0.349638 -0.00524128 -0.0169636  -0.0333355  93  GLY   A HA3  
1119 N N    . VAL   A 82  ? 0.28844  0.275601 0.368769 0.0101565   -0.0334239  -0.0328235  94  VAL   A N    
1120 C CA   . VAL   A 82  ? 0.328047 0.29731  0.423172 0.0170361   -0.044356   -0.0334126  94  VAL   A CA   
1121 C C    . VAL   A 82  ? 0.33685  0.308377 0.437023 0.0304336   -0.0457832  -0.0472952  94  VAL   A C    
1122 O O    . VAL   A 82  ? 0.413741 0.364827 0.518322 0.0371711   -0.0538541  -0.0557623  94  VAL   A O    
1123 C CB   . VAL   A 82  ? 0.340516 0.304456 0.448106 0.0139874   -0.0490279  -0.0160119  94  VAL   A CB   
1124 C CG1  . VAL   A 82  ? 0.395282 0.333975 0.516578 0.0197383   -0.0602102  -0.0145752  94  VAL   A CG1  
1125 C CG2  . VAL   A 82  ? 0.328446 0.292706 0.433755 0.00186819  -0.045776   -0.00579258 94  VAL   A CG2  
1126 H H    . VAL   A 82  ? 0.292407 0.288658 0.373802 0.00674374  -0.0308295  -0.0252448  94  VAL   A H    
1127 H HA   . VAL   A 82  ? 0.329472 0.286701 0.421977 0.0146606   -0.0478951  -0.0367051  94  VAL   A HA   
1128 H HB   . VAL   A 82  ? 0.338675 0.315625 0.445935 0.0163202   -0.0465268  -0.0123222  94  VAL   A HB   
1129 H HG11 . VAL   A 82  ? 0.392092 0.318946 0.514392 0.0178175   -0.0636753  -0.0213858  94  VAL   A HG11 
1130 H HG12 . VAL   A 82  ? 0.39364  0.33306  0.517717 0.0298569   -0.0625534  -0.0200224  94  VAL   A HG12 
1131 H HG13 . VAL   A 82  ? 0.38959  0.322399 0.515236 0.0151652   -0.0616976  -0.00172388 94  VAL   A HG13 
1132 H HG21 . VAL   A 82  ? 0.33259  0.293748 0.444081 -0.00093773 -0.0469409  0.00526849  94  VAL   A HG21 
1133 H HG22 . VAL   A 82  ? 0.317685 0.294332 0.413204 -0.00086532 -0.0391899  -0.00612033 94  VAL   A HG22 
1134 H HG23 . VAL   A 82  ? 0.332689 0.287941 0.439983 -0.00021922 -0.0491461  -0.0104037  94  VAL   A HG23 
1135 N N    . ALA   A 83  ? 0.277678 0.275131 0.37873  0.0344363   -0.0379651  -0.0522806  95  ALA   A N    
1136 C CA   . ALA   A 83  ? 0.292019 0.300109 0.400941 0.0482296   -0.0364671  -0.0685035  95  ALA   A CA   
1137 C C    . ALA   A 83  ? 0.325217 0.323889 0.418363 0.049802    -0.031736   -0.0851697  95  ALA   A C    
1138 O O    . ALA   A 83  ? 0.32792  0.327391 0.427402 0.0635689   -0.0322362  -0.100472   95  ALA   A O    
1139 C CB   . ALA   A 83  ? 0.299674 0.344816 0.414895 0.0480937   -0.026848   -0.0723872  95  ALA   A CB   
1140 H H    . ALA   A 83  ? 0.277929 0.288445 0.376048 0.0282781   -0.0332568  -0.0463687  95  ALA   A H    
1141 H HA   . ALA   A 83  ? 0.309628 0.306743 0.430567 0.0576328   -0.045371   -0.0671836  95  ALA   A HA   
1142 H HB1  . ALA   A 83  ? 0.287667 0.33935  0.41106  0.0481862   -0.0313709  -0.0628628  95  ALA   A HB1  
1143 H HB2  . ALA   A 83  ? 0.287634 0.339984 0.389936 0.0377079   -0.0176938  -0.0733747  95  ALA   A HB2  
1144 H HB3  . ALA   A 83  ? 0.302823 0.358585 0.426858 0.0581598   -0.0253603  -0.0839734  95  ALA   A HB3  
1145 N N    . THR   A 84  ? 0.341772 0.331703 0.412618 0.0379025   -0.0275295  -0.0832009  96  THR   A N    
1146 C CA   . THR   A 84  ? 0.38588  0.365409 0.433916 0.0392082   -0.0239715  -0.0975018  96  THR   A CA   
1147 C C    . THR   A 84  ? 0.40396  0.35289  0.450769 0.0428136   -0.0392364  -0.101679   96  THR   A C    
1148 O O    . THR   A 84  ? 0.413647 0.351365 0.438633 0.0452514   -0.0395247  -0.114901   96  THR   A O    
1149 C CB   . THR   A 84  ? 0.38164  0.362508 0.400652 0.0266986   -0.0138357  -0.0938288  96  THR   A CB   
1150 O OG1  . THR   A 84  ? 0.373553 0.338845 0.389686 0.0196448   -0.022874   -0.0811182  96  THR   A OG1  
1151 C CG2  . THR   A 84  ? 0.342804 0.350023 0.360198 0.0183759   0.00199616  -0.090881   96  THR   A CG2  
1152 H H    . THR   A 84  ? 0.329877 0.320033 0.398044 0.0297275   -0.0271827  -0.0728111  96  THR   A H    
1153 H HA   . THR   A 84  ? 0.389073 0.379531 0.439237 0.046449    -0.0182781  -0.108592   96  THR   A HA   
1154 H HB   . THR   A 84  ? 0.395408 0.368845 0.396185 0.0289542   -0.0114609  -0.103547   96  THR   A HB   
1156 H HG21 . THR   A 84  ? 0.354982 0.355964 0.35141  0.0101965   0.00750364  -0.087755   96  THR   A HG21 
1157 H HG22 . THR   A 84  ? 0.334636 0.350363 0.368069 0.0167154   -0.00072445 -0.0826011  96  THR   A HG22 
1158 H HG23 . THR   A 84  ? 0.357799 0.379441 0.378818 0.0226914   0.00919743  -0.100901   96  THR   A HG23 
1159 N N    . MET   A 85  ? 0.356205 0.291606 0.423268 0.040989    -0.0513227  -0.0905383  97  MET   A N    
1160 C CA   . MET   A 85  ? 0.413463 0.323637 0.48142  0.0377805   -0.0650422  -0.0927338  97  MET   A CA   
1161 C C    . MET   A 85  ? 0.4251   0.313063 0.506398 0.0479405   -0.0756657  -0.103529   97  MET   A C    
1162 O O    . MET   A 85  ? 0.422098 0.311186 0.518385 0.0576595   -0.0751362  -0.10214    97  MET   A O    
1163 C CB   . MET   A 85  ? 0.39315  0.300904 0.47699  0.0261338   -0.0704002  -0.0745452  97  MET   A CB   
1164 C CG   . MET   A 85  ? 0.383228 0.308146 0.454819 0.0176754   -0.0617068  -0.0647732  97  MET   A CG   
1165 S SD   . MET   A 85  ? 0.362379 0.291839 0.452795 0.00580454  -0.0637163  -0.0454452  97  MET   A SD   
1166 C CE   . MET   A 85  ? 0.414056 0.32636  0.513795 0.00234674  -0.079916   -0.0547262  97  MET   A CE   
1167 H H    . MET   A 85  ? 0.364534 0.307026 0.444805 0.0409436   -0.0509544  -0.0815967  97  MET   A H    
1168 H HA   . MET   A 85  ? 0.409156 0.31674  0.458816 0.036516    -0.0647106  -0.10002    97  MET   A HA   
1169 H HB2  . MET   A 85  ? 0.393377 0.301459 0.491023 0.0271801   -0.0704959  -0.066444   97  MET   A HB2  
1170 H HB3  . MET   A 85  ? 0.40786  0.301613 0.49631  0.0232107   -0.0796864  -0.0776542  97  MET   A HB3  
1171 H HG2  . MET   A 85  ? 0.387158 0.308506 0.443142 0.017545    -0.0629067  -0.0715625  97  MET   A HG2  
1172 H HG3  . MET   A 85  ? 0.371259 0.309111 0.437808 0.0191386   -0.0527687  -0.0632425  97  MET   A HG3  
1173 H HE1  . MET   A 85  ? 0.397914 0.315214 0.510948 -0.00464407 -0.0812969  -0.0468472  97  MET   A HE1  
1174 H HE2  . MET   A 85  ? 0.419165 0.318407 0.526858 0.0044412   -0.0857153  -0.0596796  97  MET   A HE2  
1175 H HE3  . MET   A 85  ? 0.411486 0.322835 0.494899 0.00528229  -0.0817994  -0.0632083  97  MET   A HE3  
1176 N N    . LYS   A 86  ? 0.457618 0.324007 0.531733 0.0466419   -0.0868593  -0.115565   98  LYS   A N    
1177 C CA   . LYS   A 86  ? 0.484034 0.321453 0.568236 0.0539149   -0.0991944  -0.128065   98  LYS   A CA   
1178 C C    . LYS   A 86  ? 0.490594 0.308892 0.598364 0.0409301   -0.111101   -0.114473   98  LYS   A C    
1179 O O    . LYS   A 86  ? 0.463411 0.292474 0.576723 0.0270538   -0.111438   -0.102021   98  LYS   A O    
1180 C CB   . LYS   A 86  ? 0.553982 0.379193 0.613633 0.0599613   -0.10418    -0.152561   98  LYS   A CB   
1181 C CG   . LYS   A 86  ? 0.581802 0.422939 0.617905 0.0733164   -0.0897289  -0.168164   98  LYS   A CG   
1182 C CD   . LYS   A 86  ? 0.702661 0.535056 0.703253 0.0770217   -0.0913512  -0.189407   98  LYS   A CD   
1183 H H    . LYS   A 86  ? 0.452028 0.32064  0.513998 0.0412425   -0.0878164  -0.116492   98  LYS   A H    
1184 H HA   . LYS   A 86  ? 0.496935 0.335433 0.587805 0.0638827   -0.0957204  -0.12965    98  LYS   A HA   
1185 H HB2  . LYS   A 86  ? 0.544657 0.37226  0.594977 0.0517869   -0.107745   -0.150849   98  LYS   A HB2  
1186 H HB3  . LYS   A 86  ? 0.5718   0.374294 0.639094 0.0626424   -0.114455   -0.161077   98  LYS   A HB3  
1187 H HG2  . LYS   A 86  ? 0.605483 0.443224 0.652757 0.083828    -0.0886385  -0.174014   98  LYS   A HG2  
1188 H HG3  . LYS   A 86  ? 0.573436 0.436186 0.606281 0.0697471   -0.0787009  -0.158327   98  LYS   A HG3  
1191 N N    . LYS   A 87  ? 0.500963 0.288507 0.62257  0.0454722   -0.120807   -0.118475   99  LYS   A N    
1192 C CA   . LYS   A 87  ? 0.545449 0.31025  0.688457 0.0301206   -0.13076    -0.106092   99  LYS   A CA   
1193 C C    . LYS   A 87  ? 0.591464 0.35408  0.735005 0.0166854   -0.141215   -0.116632   99  LYS   A C    
1194 O O    . LYS   A 87  ? 0.637352 0.390786 0.764698 0.0237604   -0.148584   -0.139258   99  LYS   A O    
1195 C CB   . LYS   A 87  ? 0.608269 0.331455 0.761934 0.0367902   -0.140288   -0.108818   99  LYS   A CB   
1196 C CG   . LYS   A 87  ? 0.663494 0.362368 0.837883 0.0167984   -0.146941   -0.0914251  99  LYS   A CG   
1197 C CD   . LYS   A 87  ? 0.757075 0.40352  0.937653 0.0223953   -0.157994   -0.0943798  99  LYS   A CD   
1198 C CE   . LYS   A 87  ? 0.832635 0.448088 1.03198  -0.00238017 -0.165471   -0.0825403  99  LYS   A CE   
1199 H H    . LYS   A 87  ? 0.529202 0.309097 0.64693  0.0579813   -0.120696   -0.129114   99  LYS   A H    
1200 H HA   . LYS   A 87  ? 0.528259 0.306808 0.678352 0.0231727   -0.124582   -0.0885047  99  LYS   A HA   
1201 H HB2  . LYS   A 87  ? 0.610286 0.336609 0.762908 0.0486241   -0.135411   -0.103996   99  LYS   A HB2  
1202 H HB3  . LYS   A 87  ? 0.635981 0.343271 0.783085 0.0430019   -0.147065   -0.12754    99  LYS   A HB3  
1203 H HG2  . LYS   A 87  ? 0.661176 0.363272 0.840705 0.00426263  -0.151554   -0.0963926  99  LYS   A HG2  
1204 H HG3  . LYS   A 87  ? 0.642555 0.356083 0.82092  0.011919    -0.139332   -0.0729697  99  LYS   A HG3  
1205 H HD2  . LYS   A 87  ? 0.75922  0.403077 0.937633 0.0335001   -0.154313   -0.084627   99  LYS   A HD2  
1206 H HD3  . LYS   A 87  ? 0.776598 0.41044  0.949852 0.0324328   -0.163998   -0.114825   99  LYS   A HD3  
1209 N N    . GLY   A 88  ? 0.555829 0.331129 0.717409 -0.00153223 -0.14134    -0.100717   100 GLY   A N    
1210 C CA   . GLY   A 88  ? 0.56732  0.350817 0.736571 -0.0142232  -0.151897   -0.108676   100 GLY   A CA   
1211 C C    . GLY   A 88  ? 0.551879 0.368373 0.704264 -0.0110097  -0.14697    -0.108875   100 GLY   A C    
1212 O O    . GLY   A 88  ? 0.5346   0.36403  0.696263 -0.019719   -0.15598    -0.112006   100 GLY   A O    
1213 H H    . GLY   A 88  ? 0.549602 0.330416 0.719662 -0.00551732 -0.134646   -0.08468    100 GLY   A H    
1214 H HA2  . GLY   A 88  ? 0.566413 0.349747 0.757335 -0.027821   -0.153073   -0.0981504  100 GLY   A HA2  
1215 H HA3  . GLY   A 88  ? 0.5937   0.359118 0.758573 -0.0119754  -0.162604   -0.125247   100 GLY   A HA3  
1216 N N    . GLU   A 89  ? 0.494042 0.324131 0.622984 0.00122559  -0.133272   -0.105402   101 GLU   A N    
1217 C CA   . GLU   A 89  ? 0.466375 0.319254 0.573404 0.00436092  -0.127838   -0.10485    101 GLU   A CA   
1218 C C    . GLU   A 89  ? 0.465495 0.341155 0.590045 -0.0058666  -0.122364   -0.0863633  101 GLU   A C    
1219 O O    . GLU   A 89  ? 0.457806 0.338375 0.600835 -0.0121041  -0.113676   -0.0700918  101 GLU   A O    
1220 C CB   . GLU   A 89  ? 0.46424  0.324196 0.544812 0.0163617   -0.112681   -0.105847   101 GLU   A CB   
1221 C CG   . GLU   A 89  ? 0.431407 0.306593 0.482852 0.0185058   -0.105296   -0.104692   101 GLU   A CG   
1222 C CD   . GLU   A 89  ? 0.482288 0.365517 0.511774 0.0262268   -0.0885343  -0.106687   101 GLU   A CD   
1223 O OE1  . GLU   A 89  ? 0.495433 0.371084 0.518302 0.0353737   -0.0866089  -0.120786   101 GLU   A OE1  
1224 O OE2  . GLU   A 89  ? 0.430612 0.329207 0.450721 0.0228623   -0.0765312  -0.0953247  101 GLU   A OE2  
1225 H H    . GLU   A 89  ? 0.502848 0.327199 0.629723 0.00752231  -0.127447   -0.103248   101 GLU   A H    
1226 H HA   . GLU   A 89  ? 0.489621 0.337938 0.586725 0.00554183  -0.137787   -0.116976   101 GLU   A HA   
1227 H HB2  . GLU   A 89  ? 0.477632 0.325391 0.549234 0.0236772   -0.114971   -0.118626   101 GLU   A HB2  
1228 H HB3  . GLU   A 89  ? 0.44346  0.309306 0.534667 0.0156168   -0.104847   -0.094803   101 GLU   A HB3  
1229 H HG2  . GLU   A 89  ? 0.429888 0.316265 0.489937 0.0128781   -0.10272    -0.0929374  101 GLU   A HG2  
1230 H HG3  . GLU   A 89  ? 0.465193 0.333601 0.502687 0.0202429   -0.114055   -0.114669   101 GLU   A HG3  
1231 N N    . ILE   A 90  ? 0.424039 0.312667 0.538982 -0.00548534 -0.12769    -0.089583   102 ILE   A N    
1232 C CA   . ILE   A 90  ? 0.415566 0.326895 0.538864 -0.00937065 -0.120453   -0.0754521  102 ILE   A CA   
1233 C C    . ILE   A 90  ? 0.432725 0.347392 0.519229 0.00032508  -0.112548   -0.0751773  102 ILE   A C    
1234 O O    . ILE   A 90  ? 0.413815 0.31947  0.473228 0.00744096  -0.120944   -0.0866525  102 ILE   A O    
1235 C CB   . ILE   A 90  ? 0.449302 0.374422 0.599451 -0.0165502  -0.133845   -0.0779552  102 ILE   A CB   
1236 C CG1  . ILE   A 90  ? 0.434429 0.354081 0.622498 -0.0310206  -0.139735   -0.0776761  102 ILE   A CG1  
1237 C CG2  . ILE   A 90  ? 0.432371 0.382072 0.590192 -0.0166072  -0.125526   -0.0659117  102 ILE   A CG2  
1238 C CD1  . ILE   A 90  ? 0.452637 0.392293 0.676344 -0.0417649  -0.151957   -0.0815839  102 ILE   A CD1  
1239 H H    . ILE   A 90  ? 0.453027 0.334932 0.554604 -0.0015073  -0.136695   -0.101445   102 ILE   A H    
1240 H HA   . ILE   A 90  ? 0.408702 0.324395 0.544104 -0.0136751  -0.111289   -0.0644389  102 ILE   A HA   
1241 H HB   . ILE   A 90  ? 0.455126 0.37537  0.591934 -0.0114015  -0.14518    -0.0893515  102 ILE   A HB   
1242 H HG12 . ILE   A 90  ? 0.432577 0.353456 0.629103 -0.0355745  -0.128518   -0.0654139  102 ILE   A HG12 
1243 H HG13 . ILE   A 90  ? 0.461729 0.362164 0.642406 -0.0292371  -0.146323   -0.0873369  102 ILE   A HG13 
1244 H HG21 . ILE   A 90  ? 0.432109 0.394268 0.610001 -0.0197854  -0.134354   -0.0690251  102 ILE   A HG21 
1245 H HG22 . ILE   A 90  ? 0.417308 0.372134 0.585346 -0.0216407  -0.114096   -0.0550605  102 ILE   A HG22 
1246 H HG23 . ILE   A 90  ? 0.430404 0.378087 0.562379 -0.00815931 -0.122828   -0.0663796  102 ILE   A HG23 
1247 H HD11 . ILE   A 90  ? 0.46075  0.399521 0.675824 -0.0365455  -0.165371   -0.0941644  102 ILE   A HD11 
1248 H HD12 . ILE   A 90  ? 0.45786  0.391174 0.704085 -0.053222   -0.153914   -0.080823   102 ILE   A HD12 
1249 H HD13 . ILE   A 90  ? 0.430929 0.391093 0.66422  -0.0425736  -0.144717   -0.0728485  102 ILE   A HD13 
1250 N N    . ALA   A 91  ? 0.365976 0.292175 0.450281 -0.00083322 -0.0968872  -0.0613798  103 ALA   A N    
1251 C CA   . ALA   A 91  ? 0.367383 0.293119 0.417869 0.00489414  -0.0872418  -0.0597767  103 ALA   A CA   
1252 C C    . ALA   A 91  ? 0.313882 0.253376 0.370338 0.00264012  -0.0802358  -0.0475744  103 ALA   A C    
1253 O O    . ALA   A 91  ? 0.346484 0.299425 0.43238  -0.00381393 -0.0768672  -0.0388285  103 ALA   A O    
1254 C CB   . ALA   A 91  ? 0.347426 0.27155  0.385249 0.00616407  -0.0735746  -0.0595807  103 ALA   A CB   
1255 H H    . ALA   A 91  ? 0.364449 0.297424 0.467467 -0.00613504 -0.092263   -0.05299    103 ALA   A H    
1256 H HA   . ALA   A 91  ? 0.374498 0.291976 0.405895 0.00958737  -0.0943621  -0.0674385  103 ALA   A HA   
1257 H HB1  . ALA   A 91  ? 0.365694 0.281576 0.399279 0.00946753  -0.0773065  -0.068784   103 ALA   A HB1  
1258 H HB2  . ALA   A 91  ? 0.338548 0.269859 0.393468 0.00273725  -0.0688117  -0.0521213  103 ALA   A HB2  
1259 H HB3  . ALA   A 91  ? 0.353315 0.277802 0.370203 0.00725144  -0.0660322  -0.0582393  103 ALA   A HB3  
1260 N N    . HIS   A 92  ? 0.340816 0.273611 0.367655 0.00827659  -0.0790465  -0.047981   104 HIS   A N    
1261 C CA   . HIS   A 92  ? 0.351006 0.290039 0.374702 0.00864946  -0.0708514  -0.0386708  104 HIS   A CA   
1262 C C    . HIS   A 92  ? 0.345737 0.278193 0.343288 0.00564238  -0.0547017  -0.0346254  104 HIS   A C    
1263 O O    . HIS   A 92  ? 0.329333 0.247794 0.29642  0.00660173  -0.0514212  -0.0395868  104 HIS   A O    
1264 C CB   . HIS   A 92  ? 0.366673 0.298799 0.376408 0.0180248   -0.0822959  -0.0410832  104 HIS   A CB   
1265 C CG   . HIS   A 92  ? 0.339471 0.287187 0.382646 0.0203512   -0.0982961  -0.0456579  104 HIS   A CG   
1266 N ND1  . HIS   A 92  ? 0.351282 0.298688 0.389789 0.0313883   -0.113215   -0.049606   104 HIS   A ND1  
1267 C CD2  . HIS   A 92  ? 0.322129 0.28777  0.406182 0.0121802   -0.101319   -0.0464082  104 HIS   A CD2  
1268 C CE1  . HIS   A 92  ? 0.351951 0.322571 0.432521 0.0292879   -0.125218   -0.0546158  104 HIS   A CE1  
1269 N NE2  . HIS   A 92  ? 0.319709 0.300092 0.427722 0.0158515   -0.116836   -0.0521852  104 HIS   A NE2  
1270 H H    . HIS   A 92  ? 0.358637 0.280231 0.364273 0.0123077   -0.0834338  -0.0543308  104 HIS   A H    
1271 H HA   . HIS   A 92  ? 0.330118 0.2826   0.378904 0.00473364  -0.0685142  -0.0337799  104 HIS   A HA   
1272 H HB2  . HIS   A 92  ? 0.38078  0.297355 0.362988 0.0216533   -0.0857148  -0.0453261  104 HIS   A HB2  
1273 H HB3  . HIS   A 92  ? 0.358758 0.29041  0.361799 0.0195191   -0.0756907  -0.0357098  104 HIS   A HB3  
1275 H HD2  . HIS   A 92  ? 0.312001 0.279455 0.406678 0.00505657  -0.0944709  -0.0433882  104 HIS   A HD2  
1276 H HE1  . HIS   A 92  ? 0.356015 0.334671 0.445644 0.0360566   -0.137953   -0.0590978  104 HIS   A HE1  
1278 N N    . LEU   A 93  ? 0.306083 0.249239 0.313142 0.00127718  -0.044028   -0.0262691  105 LEU   A N    
1279 C CA   . LEU   A 93  ? 0.302128 0.241759 0.28814  -0.00373895 -0.0300637  -0.0236559  105 LEU   A CA   
1280 C C    . LEU   A 93  ? 0.324724 0.258148 0.298282 -0.00280378 -0.0250487  -0.0190545  105 LEU   A C    
1281 O O    . LEU   A 93  ? 0.330383 0.275987 0.325713 -0.00024978 -0.0271457  -0.0157646  105 LEU   A O    
1282 C CB   . LEU   A 93  ? 0.322193 0.278892 0.327672 -0.00978371 -0.023072   -0.0202977  105 LEU   A CB   
1283 C CG   . LEU   A 93  ? 0.331538 0.292021 0.350864 -0.0086015  -0.0274241  -0.0247884  105 LEU   A CG   
1284 C CD1  . LEU   A 93  ? 0.395183 0.370512 0.43162  -0.0118164  -0.0225814  -0.0186704  105 LEU   A CD1  
1285 C CD2  . LEU   A 93  ? 0.325621 0.277964 0.321572 -0.00723037 -0.0238865  -0.0338956  105 LEU   A CD2  
1286 H H    . LEU   A 93  ? 0.300891 0.254437 0.327728 0.00075025  -0.0454005  -0.0229247  105 LEU   A H    
1287 H HA   . LEU   A 93  ? 0.32718  0.256323 0.292877 -0.00357881 -0.0287625  -0.0277831  105 LEU   A HA   
1288 H HB2  . LEU   A 93  ? 0.306132 0.271339 0.327074 -0.010657   -0.0231386  -0.0151393  105 LEU   A HB2  
1289 H HB3  . LEU   A 93  ? 0.316019 0.273153 0.309245 -0.0136069  -0.014968   -0.0198569  105 LEU   A HB3  
1290 H HG   . LEU   A 93  ? 0.339438 0.297476 0.371005 -0.00634933 -0.0359115  -0.0259331  105 LEU   A HG   
1291 H HD11 . LEU   A 93  ? 0.363315 0.342946 0.410705 -0.0135577  -0.0231776  -0.0120325  105 LEU   A HD11 
1292 H HD12 . LEU   A 93  ? 0.371946 0.347162 0.417564 -0.00922354 -0.0263066  -0.0213841  105 LEU   A HD12 
1293 H HD13 . LEU   A 93  ? 0.368858 0.349045 0.395264 -0.014476   -0.0155396  -0.018985   105 LEU   A HD13 
1294 H HD21 . LEU   A 93  ? 0.344745 0.285376 0.32664  -0.00445291 -0.0284382  -0.0369411  105 LEU   A HD21 
1295 H HD22 . LEU   A 93  ? 0.331921 0.28721  0.316822 -0.0113716  -0.0150254  -0.0329127  105 LEU   A HD22 
1296 H HD23 . LEU   A 93  ? 0.331812 0.287513 0.336961 -0.00499669 -0.0257325  -0.0382044  105 LEU   A HD23 
1297 N N    . LEU   A 94  ? 0.339925 0.252106 0.278643 -0.00393391 -0.019643   -0.0197456  106 LEU   A N    
1298 C CA   . LEU   A 94  ? 0.386272 0.284543 0.30788  -0.00377222 -0.0138526  -0.0164645  106 LEU   A CA   
1299 C C    . LEU   A 94  ? 0.434767 0.336018 0.348103 -0.0167248  0.00019813  -0.0161189  106 LEU   A C    
1300 O O    . LEU   A 94  ? 0.375866 0.272879 0.273752 -0.0248924  0.00676404  -0.0186732  106 LEU   A O    
1301 C CB   . LEU   A 94  ? 0.478902 0.344319 0.364733 0.00344179  -0.0192366  -0.0162466  106 LEU   A CB   
1302 C CG   . LEU   A 94  ? 0.487691 0.330257 0.353756 0.00669792  -0.0155712  -0.0134125  106 LEU   A CG   
1303 C CD1  . LEU   A 94  ? 0.533575 0.394091 0.429812 0.0181514   -0.0213881  -0.0140663  106 LEU   A CD1  
1304 C CD2  . LEU   A 94  ? 0.639506 0.441374 0.462016 0.01302     -0.0209467  -0.010953   106 LEU   A CD2  
1305 H H    . LEU   A 94  ? 0.360036 0.264137 0.283654 -0.0052372  -0.0190348  -0.0225821  106 LEU   A H    
1306 H HA   . LEU   A 94  ? 0.387331 0.296313 0.327131 0.0002235   -0.0160034  -0.0150014  106 LEU   A HA   
1307 H HB2  . LEU   A 94  ? 0.464315 0.331577 0.35761  0.0122211   -0.0303768  -0.0176232  106 LEU   A HB2  
1308 H HB3  . LEU   A 94  ? 0.476234 0.330904 0.341663 -0.00201254 -0.0150487  -0.0170533  106 LEU   A HB3  
1309 H HG   . LEU   A 94  ? 0.516583 0.358891 0.377757 -0.00333388 -0.00513268 -0.0131452  106 LEU   A HG   
1310 H HD11 . LEU   A 94  ? 0.489522 0.372098 0.407468 0.0125176   -0.0160512  -0.0140668  106 LEU   A HD11 
1311 H HD12 . LEU   A 94  ? 0.531395 0.375532 0.414081 0.0226158   -0.0197094  -0.0137314  106 LEU   A HD12 
1312 H HD13 . LEU   A 94  ? 0.513601 0.380038 0.420665 0.0266677   -0.0319944  -0.0152746  106 LEU   A HD13 
1313 H HD21 . LEU   A 94  ? 0.616075 0.408339 0.418986 0.00383955  -0.014415   -0.0103709  106 LEU   A HD21 
1314 H HD22 . LEU   A 94  ? 0.609059 0.411882 0.435104 0.0235552   -0.0329494  -0.0118476  106 LEU   A HD22 
1315 H HD23 . LEU   A 94  ? 0.621978 0.405497 0.431417 0.0158426   -0.0191137  -0.00921823 106 LEU   A HD23 
1316 N N    . ILE   A 95  ? 0.392403 0.304323 0.317349 -0.0188845  0.00500615  -0.014221   107 ILE   A N    
1317 C CA   . ILE   A 95  ? 0.348209 0.27346  0.275344 -0.0307132  0.0142017   -0.0152074  107 ILE   A CA   
1318 C C    . ILE   A 95  ? 0.391189 0.301503 0.299582 -0.0356143  0.0211235   -0.0165335  107 ILE   A C    
1319 O O    . ILE   A 95  ? 0.36532  0.276179 0.278945 -0.0285104  0.0201746   -0.0157631  107 ILE   A O    
1320 C CB   . ILE   A 95  ? 0.328187 0.28301  0.285995 -0.0300459  0.0120481   -0.0122001  107 ILE   A CB   
1321 C CG1  . ILE   A 95  ? 0.34049  0.304497 0.3174   -0.0253184  0.00430531  -0.0116835  107 ILE   A CG1  
1322 C CG2  . ILE   A 95  ? 0.303376 0.273222 0.261702 -0.04       0.0181845   -0.0137149  107 ILE   A CG2  
1323 C CD1  . ILE   A 95  ? 0.304383 0.286345 0.308284 -0.0232264  0.00079058  -0.00564215 107 ILE   A CD1  
1324 H H    . ILE   A 95  ? 0.390333 0.302435 0.321528 -0.0125742  0.00221417  -0.0131353  107 ILE   A H    
1325 H HA   . ILE   A 95  ? 0.365309 0.289505 0.285198 -0.0362406  0.0171188   -0.017463   107 ILE   A HA   
1326 H HB   . ILE   A 95  ? 0.324907 0.282019 0.288994 -0.0258945  0.0112324   -0.00985634 107 ILE   A HB   
1327 H HG12 . ILE   A 95  ? 0.329798 0.297645 0.305001 -0.0287179  0.00616331  -0.0145398  107 ILE   A HG12 
1328 H HG13 . ILE   A 95  ? 0.338455 0.291432 0.310576 -0.0203606  -0.00038876 -0.0129233  107 ILE   A HG13 
1329 H HG21 . ILE   A 95  ? 0.296537 0.282289 0.271012 -0.0384671  0.0155002   -0.0107623  107 ILE   A HG21 
1330 H HG22 . ILE   A 95  ? 0.31401  0.282851 0.266034 -0.0450926  0.0208117   -0.0173132  107 ILE   A HG22 
1331 H HG23 . ILE   A 95  ? 0.316905 0.281662 0.265472 -0.0427497  0.0218237   -0.0145391  107 ILE   A HG23 
1332 H HD11 . ILE   A 95  ? 0.31027  0.292168 0.317482 -0.0207139  0.00092336  -0.00344669 107 ILE   A HD11 
1333 H HD12 . ILE   A 95  ? 0.306723 0.289881 0.321838 -0.0207469  -0.00474715 -0.00591715 107 ILE   A HD12 
1334 H HD13 . ILE   A 95  ? 0.304811 0.296646 0.310941 -0.026959   0.00391078  -0.00380479 107 ILE   A HD13 
1335 N N    . LYS   A 96  ? 0.384414 0.281674 0.271837 -0.0481846  0.0287461   -0.0196546  108 LYS   A N    
1336 C CA   . LYS   A 96  ? 0.405705 0.28548  0.274135 -0.0568553  0.0353938   -0.0229019  108 LYS   A CA   
1337 C C    . LYS   A 96  ? 0.379699 0.288956 0.266364 -0.0625217  0.0369814   -0.0258169  108 LYS   A C    
1338 O O    . LYS   A 96  ? 0.364198 0.304065 0.273005 -0.0638379  0.0347699   -0.0249144  108 LYS   A O    
1339 C CB   . LYS   A 96  ? 0.415582 0.274545 0.258754 -0.0731796  0.044137    -0.0252468  108 LYS   A CB   
1340 C CG   . LYS   A 96  ? 0.50506  0.324093 0.317036 -0.0672533  0.0426276   -0.0203803  108 LYS   A CG   
1341 C CD   . LYS   A 96  ? 0.576936 0.364509 0.373935 -0.0509053  0.0349901   -0.0177174  108 LYS   A CD   
1342 C CE   . LYS   A 96  ? 0.638406 0.384514 0.401115 -0.0425445  0.0300058   -0.0119408  108 LYS   A CE   
1343 N NZ   . LYS   A 96  ? 0.604118 0.371249 0.384255 -0.0289789  0.0192313   -0.010278   108 LYS   A NZ   
1344 H H    . LYS   A 96  ? 0.391325 0.290322 0.276154 -0.0523542  0.0303946   -0.0205129  108 LYS   A H    
1345 H HA   . LYS   A 96  ? 0.415153 0.277239 0.274726 -0.0483977  0.0329572   -0.0220283  108 LYS   A HA   
1346 H HB2  . LYS   A 96  ? 0.418297 0.298352 0.273309 -0.0795506  0.0466457   -0.0268968  108 LYS   A HB2  
1347 H HB3  . LYS   A 96  ? 0.445641 0.295236 0.279392 -0.0817813  0.0484489   -0.0285053  108 LYS   A HB3  
1348 H HG2  . LYS   A 96  ? 0.491021 0.320879 0.310707 -0.061527   0.0388717   -0.0188568  108 LYS   A HG2  
1349 H HG3  . LYS   A 96  ? 0.525198 0.327968 0.317869 -0.0798243  0.050253    -0.0208518  108 LYS   A HG3  
1350 H HD2  . LYS   A 96  ? 0.582875 0.357955 0.371411 -0.0558037  0.038876    -0.0204276  108 LYS   A HD2  
1351 H HD3  . LYS   A 96  ? 0.545488 0.352743 0.364187 -0.0398206  0.0288031   -0.0176881  108 LYS   A HD3  
1352 H HE2  . LYS   A 96  ? 0.652445 0.382347 0.393933 -0.0548501  0.0372323   -0.0104918  108 LYS   A HE2  
1353 H HE3  . LYS   A 96  ? 0.651066 0.373723 0.401818 -0.0334968  0.0260935   -0.0112154  108 LYS   A HE3  
1354 H HZ1  . LYS   A 96  ? 0.593566 0.377523 0.381081 -0.0364     0.0229285   -0.0114155  108 LYS   A HZ1  
1355 H HZ2  . LYS   A 96  ? 0.585725 0.371468 0.38895  -0.0204311  0.0139895   -0.0116498  108 LYS   A HZ2  
1356 H HZ3  . LYS   A 96  ? 0.631628 0.376038 0.391851 -0.0216235  0.0137584   -0.00721906 108 LYS   A HZ3  
1357 N N    . PRO   A 97  ? 0.375621 0.273417 0.249039 -0.0665683  0.0404079   -0.0304972  109 PRO   A N    
1358 C CA   . PRO   A 97  ? 0.409771 0.333884 0.294637 -0.0697701  0.0401362   -0.0333352  109 PRO   A CA   
1359 C C    . PRO   A 97  ? 0.380242 0.332889 0.277844 -0.0827037  0.039727    -0.0364224  109 PRO   A C    
1360 O O    . PRO   A 97  ? 0.352789 0.333511 0.265764 -0.0800589  0.0352041   -0.0346502  109 PRO   A O    
1361 C CB   . PRO   A 97  ? 0.394511 0.292505 0.256017 -0.0710907  0.0439271   -0.0404589  109 PRO   A CB   
1362 C CG   . PRO   A 97  ? 0.472057 0.32761  0.308638 -0.0748208  0.046935    -0.0415678  109 PRO   A CG   
1363 C CD   . PRO   A 97  ? 0.476885 0.332813 0.321755 -0.0646284  0.0428663   -0.033021   109 PRO   A CD   
1364 H HA   . PRO   A 97  ? 0.37264  0.310533 0.270889 -0.0603636  0.0371735   -0.0288627  109 PRO   A HA   
1365 H HB2  . PRO   A 97  ? 0.418409 0.324869 0.277278 -0.0805143  0.0449401   -0.0458103  109 PRO   A HB2  
1366 H HB3  . PRO   A 97  ? 0.412003 0.311111 0.276249 -0.0599752  0.0432381   -0.0392103  109 PRO   A HB3  
1367 H HG2  . PRO   A 97  ? 0.475927 0.327021 0.305078 -0.0894237  0.0504164   -0.04505    109 PRO   A HG2  
1368 H HG3  . PRO   A 97  ? 0.48536  0.318229 0.308044 -0.0686444  0.0475151   -0.0442743  109 PRO   A HG3  
1369 H HD2  . PRO   A 97  ? 0.473318 0.309595 0.303148 -0.0707136  0.0451201   -0.032197   109 PRO   A HD2  
1370 H HD3  . PRO   A 97  ? 0.456335 0.306325 0.303156 -0.0511162  0.039331    -0.0307854  109 PRO   A HD3  
1371 N N    . GLU   A 98  ? 0.386577 0.333525 0.27851  -0.0961032  0.0444829   -0.0405924  110 GLU   A N    
1372 C CA   . GLU   A 98  ? 0.427242 0.407732 0.337151 -0.107715   0.0444443   -0.0459233  110 GLU   A CA   
1373 C C    . GLU   A 98  ? 0.386888 0.399366 0.324422 -0.0960969  0.0376972   -0.0409444  110 GLU   A C    
1374 O O    . GLU   A 98  ? 0.369007 0.414303 0.325353 -0.0992669  0.0335376   -0.0448441  110 GLU   A O    
1375 C CB   . GLU   A 98  ? 0.486649 0.456916 0.387342 -0.125068   0.0542929   -0.0510637  110 GLU   A CB   
1376 C CG   . GLU   A 98  ? 0.547999 0.483061 0.420784 -0.140231   0.0605305   -0.0563705  110 GLU   A CG   
1377 C CD   . GLU   A 98  ? 0.594627 0.477935 0.435997 -0.131956   0.0621197   -0.0509815  110 GLU   A CD   
1378 O OE1  . GLU   A 98  ? 0.491741 0.361506 0.328521 -0.116576   0.0597349   -0.042606   110 GLU   A OE1  
1379 O OE2  . GLU   A 98  ? 0.5603   0.416504 0.381572 -0.142023   0.0647148   -0.0571827  110 GLU   A OE2  
1380 H H    . GLU   A 98  ? 0.416288 0.339074 0.293337 -0.0977082  0.0479745   -0.0400284  110 GLU   A H    
1381 H HA   . GLU   A 98  ? 0.425266 0.414541 0.334761 -0.112846   0.042501    -0.0504923  110 GLU   A HA   
1382 H HB2  . GLU   A 98  ? 0.484143 0.442465 0.379756 -0.119809   0.0563874   -0.0466238  110 GLU   A HB2  
1383 H HB3  . GLU   A 98  ? 0.474329 0.47281  0.39216  -0.13174    0.0545716   -0.0556343  110 GLU   A HB3  
1384 H HG2  . GLU   A 98  ? 0.558745 0.495335 0.430301 -0.155378   0.0673224   -0.0603143  110 GLU   A HG2  
1385 H HG3  . GLU   A 98  ? 0.544922 0.489695 0.420843 -0.142719   0.0568338   -0.0612434  110 GLU   A HG3  
1386 N N    . TYR   A 99  ? 0.379384 0.381451 0.319826 -0.0821876  0.0350535   -0.0332293  111 TYR   A N    
1387 C CA   . TYR   A 99  ? 0.402527 0.426769 0.367124 -0.0713975  0.0282186   -0.0288975  111 TYR   A CA   
1388 C C    . TYR   A 99  ? 0.355522 0.379461 0.326294 -0.0598684  0.0219467   -0.0198598  111 TYR   A C    
1389 O O    . TYR   A 99  ? 0.337045 0.368368 0.324552 -0.0507476  0.0160755   -0.0140746  111 TYR   A O    
1390 C CB   . TYR   A 99  ? 0.358664 0.37236  0.322401 -0.067732   0.0303863   -0.0294392  111 TYR   A CB   
1391 C CG   . TYR   A 99  ? 0.322227 0.342068 0.281154 -0.0805063  0.039719    -0.0377916  111 TYR   A CG   
1392 C CD1  . TYR   A 99  ? 0.371691 0.424834 0.354446 -0.0802872  0.0394505   -0.0437478  111 TYR   A CD1  
1393 C CD2  . TYR   A 99  ? 0.361726 0.355293 0.293467 -0.0932083  0.0493426   -0.0398171  111 TYR   A CD2  
1394 C CE1  . TYR   A 99  ? 0.393918 0.460445 0.377278 -0.0933392  0.0505716   -0.0527471  111 TYR   A CE1  
1395 C CE2  . TYR   A 99  ? 0.402433 0.403798 0.330593 -0.108694   0.060732    -0.0467019  111 TYR   A CE2  
1396 C CZ   . TYR   A 99  ? 0.412508 0.453633 0.368333 -0.109175   0.0623439   -0.0537477  111 TYR   A CZ   
1397 O OH   . TYR   A 99  ? 0.421506 0.478634 0.379362 -0.125667   0.0760103   -0.0621287  111 TYR   A OH   
1398 H H    . TYR   A 99  ? 0.396802 0.37674  0.324249 -0.0792913  0.0367414   -0.0312241  111 TYR   A H    
1399 H HA   . TYR   A 99  ? 0.372644 0.418796 0.349083 -0.0745082  0.0264383   -0.0322122  111 TYR   A HA   
1400 H HB2  . TYR   A 99  ? 0.364254 0.356313 0.314707 -0.0648431  0.030888    -0.0267893  111 TYR   A HB2  
1401 H HB3  . TYR   A 99  ? 0.34425  0.368347 0.323143 -0.0596131  0.0251263   -0.0272523  111 TYR   A HB3  
1402 H HD1  . TYR   A 99  ? 0.345637 0.412265 0.344709 -0.0708087  0.0320739   -0.041722   111 TYR   A HD1  
1403 H HD2  . TYR   A 99  ? 0.375971 0.345777 0.291669 -0.0913282  0.0485754   -0.0363599  111 TYR   A HD2  
1404 H HE1  . TYR   A 99  ? 0.381083 0.473571 0.383636 -0.0914633  0.050561    -0.0580518  111 TYR   A HE1  
1405 H HE2  . TYR   A 99  ? 0.424321 0.40379  0.331483 -0.118585   0.0678668   -0.046649   111 TYR   A HE2  
1407 N N    . ALA   A 100 ? 0.35166  0.367098 0.308647 -0.0613241  0.0242304   -0.0193806  112 ALA   A N    
1408 C CA   . ALA   A 100 ? 0.308298 0.327478 0.269887 -0.0528493  0.0221408   -0.0113355  112 ALA   A CA   
1409 C C    . ALA   A 100 ? 0.326035 0.355386 0.276186 -0.057125   0.0227556   -0.0131587  112 ALA   A C    
1410 O O    . ALA   A 100 ? 0.341387 0.390649 0.297473 -0.0591387  0.0169319   -0.0123487  112 ALA   A O    
1411 C CB   . ALA   A 100 ? 0.340029 0.339372 0.296627 -0.0460468  0.0252597   -0.0100368  112 ALA   A CB   
1412 H H    . ALA   A 100 ? 0.358083 0.365076 0.302161 -0.0682501  0.0280083   -0.0246491  112 ALA   A H    
1413 H HA   . ALA   A 100 ? 0.311701 0.340893 0.287566 -0.0485348  0.0177276   -0.00589579 112 ALA   A HA   
1414 H HB1  . ALA   A 100 ? 0.325742 0.321415 0.290284 -0.0425562  0.0225615   -0.00838448 112 ALA   A HB1  
1415 H HB2  . ALA   A 100 ? 0.345103 0.329826 0.286647 -0.048838   0.0287183   -0.0153415  112 ALA   A HB2  
1416 H HB3  . ALA   A 100 ? 0.330524 0.335423 0.290933 -0.0420397  0.0261758   -0.0060069  112 ALA   A HB3  
1417 N N    . TYR   A 101 ? 0.354018 0.369676 0.28681  -0.0567866  0.0286268   -0.0167468  113 TYR   A N    
1418 C CA   . TYR   A 101 ? 0.31896  0.342182 0.235938 -0.0600388  0.0294781   -0.0203548  113 TYR   A CA   
1419 C C    . TYR   A 101 ? 0.376718 0.384917 0.272467 -0.0703388  0.0321809   -0.0344449  113 TYR   A C    
1420 O O    . TYR   A 101 ? 0.34709  0.358676 0.2262   -0.0728474  0.0323215   -0.0402235  113 TYR   A O    
1421 C CB   . TYR   A 101 ? 0.333798 0.35667  0.246915 -0.0509626  0.0356247   -0.0147329  113 TYR   A CB   
1422 C CG   . TYR   A 101 ? 0.32094  0.357541 0.25439  -0.0450921  0.0338002   -0.00031804 113 TYR   A CG   
1423 C CD1  . TYR   A 101 ? 0.325061 0.377441 0.257497 -0.0457134  0.0294644   0.00911364  113 TYR   A CD1  
1424 C CD2  . TYR   A 101 ? 0.293267 0.324205 0.245965 -0.0395005  0.0345863   0.00387007  113 TYR   A CD2  
1425 C CE1  . TYR   A 101 ? 0.338964 0.396746 0.287565 -0.0422247  0.0277963   0.0233374   113 TYR   A CE1  
1426 C CE2  . TYR   A 101 ? 0.287123 0.327852 0.259604 -0.0372339  0.0321864   0.0159324   113 TYR   A CE2  
1427 C CZ   . TYR   A 101 ? 0.288046 0.339816 0.258182 -0.0392076  0.0296363   0.0261642   113 TYR   A CZ   
1428 O OH   . TYR   A 101 ? 0.303668 0.358022 0.290127 -0.0385058  0.02756     0.0391632   113 TYR   A OH   
1429 H H    . TYR   A 101 ? 0.342483 0.343397 0.272098 -0.0535178  0.0316536   -0.0177977  113 TYR   A H    
1430 H HA   . TYR   A 101 ? 0.331991 0.372048 0.254462 -0.0613836  0.0239721   -0.0172479  113 TYR   A HA   
1431 H HB2  . TYR   A 101 ? 0.337713 0.346234 0.248193 -0.0474386  0.039971    -0.0184348  113 TYR   A HB2  
1432 H HB3  . TYR   A 101 ? 0.346298 0.373592 0.245201 -0.0527422  0.0368942   -0.0176365  113 TYR   A HB3  
1433 H HD1  . TYR   A 101 ? 0.340297 0.397934 0.259182 -0.0487175  0.0269671   0.0059163   113 TYR   A HD1  
1434 H HD2  . TYR   A 101 ? 0.29874  0.317744 0.250256 -0.0376162  0.0357506   -0.00158944 113 TYR   A HD2  
1435 H HE1  . TYR   A 101 ? 0.333741 0.397826 0.277994 -0.0422018  0.0244197   0.030919    113 TYR   A HE1  
1436 H HE2  . TYR   A 101 ? 0.278443 0.316301 0.264723 -0.0344347  0.0316753   0.01726     113 TYR   A HE2  
1438 N N    . GLY   A 102 ? 0.367584 0.357265 0.260999 -0.0773451  0.0344263   -0.0399156  114 GLY   A N    
1439 C CA   . GLY   A 102 ? 0.404809 0.382696 0.282598 -0.0928213  0.0360818   -0.052375   114 GLY   A CA   
1440 C C    . GLY   A 102 ? 0.411496 0.361464 0.263039 -0.0918695  0.040669    -0.0610615  114 GLY   A C    
1441 O O    . GLY   A 102 ? 0.404038 0.342515 0.250803 -0.0775101  0.0442189   -0.0579018  114 GLY   A O    
1442 H H    . GLY   A 102 ? 0.365826 0.348969 0.266272 -0.0733155  0.0351077   -0.0357042  114 GLY   A H    
1443 H HA2  . GLY   A 102 ? 0.397911 0.364663 0.276426 -0.0983198  0.0385527   -0.0530677  114 GLY   A HA2  
1444 H HA3  . GLY   A 102 ? 0.393565 0.392701 0.27712  -0.0990031  0.0315427   -0.0552674  114 GLY   A HA3  
1445 N N    . SER   A 103 ? 0.459221 0.400288 0.296033 -0.107592   0.0404324   -0.0738015  115 SER   A N    
1446 C CA   . SER   A 103 ? 0.46755  0.378193 0.276962 -0.107546   0.0439794   -0.0852368  115 SER   A CA   
1447 C C    . SER   A 103 ? 0.463568 0.393289 0.264395 -0.0986606  0.042135    -0.0884056  115 SER   A C    
1448 O O    . SER   A 103 ? 0.46056  0.367704 0.240566 -0.0908311  0.0472415   -0.096499   115 SER   A O    
1449 C CB   . SER   A 103 ? 0.510198 0.401737 0.306897 -0.129776   0.0442031   -0.0981944  115 SER   A CB   
1450 O OG   . SER   A 103 ? 0.517981 0.447657 0.327966 -0.143499   0.0367109   -0.103842   115 SER   A OG   
1451 H H    . SER   A 103 ? 0.44364  0.398139 0.28852  -0.118606   0.0379478   -0.0764631  115 SER   A H    
1452 H HA   . SER   A 103 ? 0.480211 0.367591 0.283833 -0.0981578  0.0480438   -0.0824567  115 SER   A HA   
1453 H HB2  . SER   A 103 ? 0.539655 0.406212 0.316442 -0.129803   0.0460996   -0.106896   115 SER   A HB2  
1454 H HB3  . SER   A 103 ? 0.512547 0.38917  0.311123 -0.135044   0.0475173   -0.094658   115 SER   A HB3  
1456 N N    . ALA   A 104 ? 0.422307 0.391241 0.235252 -0.0985236  0.0351436   -0.0825084  116 ALA   A N    
1457 C CA   . ALA   A 104 ? 0.450433 0.434097 0.24909  -0.0896289  0.0348449   -0.0822406  116 ALA   A CA   
1458 C C    . ALA   A 104 ? 0.41118  0.394381 0.214968 -0.0717997  0.0439748   -0.0707312  116 ALA   A C    
1459 O O    . ALA   A 104 ? 0.424212 0.410869 0.211333 -0.0639254  0.0498544   -0.0728771  116 ALA   A O    
1460 C CB   . ALA   A 104 ? 0.46844  0.489137 0.274154 -0.093029   0.0231374   -0.076865   116 ALA   A CB   
1461 H H    . ALA   A 104 ? 0.415182 0.400506 0.24377  -0.103516   0.0307128   -0.0785041  116 ALA   A H    
1462 H HA   . ALA   A 104 ? 0.473522 0.4423   0.251763 -0.0931183  0.0362945   -0.0945931  116 ALA   A HA   
1463 H HB1  . ALA   A 104 ? 0.469142 0.49414  0.273293 -0.104266   0.0168655   -0.0863794  116 ALA   A HB1  
1464 H HB2  . ALA   A 104 ? 0.435894 0.468696 0.261354 -0.0895126  0.0211664   -0.0659013  116 ALA   A HB2  
1465 H HB3  . ALA   A 104 ? 0.471211 0.498703 0.262677 -0.0871207  0.0235358   -0.0751948  116 ALA   A HB3  
1466 N N    . GLY   A 105 ? 0.382886 0.369245 0.211837 -0.0665822  0.0445251   -0.0581296  117 GLY   A N    
1467 C CA   . GLY   A 105 ? 0.37821  0.371511 0.219961 -0.0525084  0.0513613   -0.0469666  117 GLY   A CA   
1468 C C    . GLY   A 105 ? 0.353025 0.374581 0.197463 -0.0509571  0.0498811   -0.0348496  117 GLY   A C    
1469 O O    . GLY   A 105 ? 0.37267  0.408157 0.212713 -0.057795   0.0405464   -0.0331326  117 GLY   A O    
1470 H H    . GLY   A 105 ? 0.374164 0.359562 0.213222 -0.0724867  0.0407625   -0.0571184  117 GLY   A H    
1471 H HA2  . GLY   A 105 ? 0.3554   0.345397 0.2136   -0.0504165  0.050162    -0.041439   117 GLY   A HA2  
1472 H HA3  . GLY   A 105 ? 0.387827 0.369915 0.219472 -0.0462495  0.0580318   -0.0531937  117 GLY   A HA3  
1473 N N    . SER   A 106 ? 0.368815 0.398179 0.220306 -0.0417819  0.0592242   -0.0266562  118 SER   A N    
1474 C CA   . SER   A 106 ? 0.37714  0.427261 0.227447 -0.0411141  0.0612489   -0.0124036  118 SER   A CA   
1475 C C    . SER   A 106 ? 0.428483 0.485194 0.277306 -0.0335161  0.0776026   -0.0114356  118 SER   A C    
1476 O O    . SER   A 106 ? 0.431376 0.499465 0.303133 -0.0308345  0.0840617   6.125e-05   118 SER   A O    
1477 C CB   . SER   A 106 ? 0.360398 0.418679 0.238305 -0.0424978  0.0528589   0.00377836  118 SER   A CB   
1478 O OG   . SER   A 106 ? 0.369647 0.440538 0.239757 -0.0432118  0.0526406   0.018693    118 SER   A OG   
1479 H H    . SER   A 106 ? 0.365862 0.387101 0.223278 -0.0360209  0.0647029   -0.029816   118 SER   A H    
1480 H HA   . SER   A 106 ? 0.399888 0.453933 0.23076  -0.0448184  0.0571869   -0.0147249  118 SER   A HA   
1481 H HB2  . SER   A 106 ? 0.349555 0.405283 0.230834 -0.0459824  0.0440501   0.00061054  118 SER   A HB2  
1482 H HB3  . SER   A 106 ? 0.344745 0.400759 0.240829 -0.0391997  0.0564456   0.00619561  118 SER   A HB3  
1484 N N    . LEU   A 107 ? 0.417602 0.469652 0.237788 -0.0308676  0.0852724   -0.0252274  119 LEU   A N    
1485 C CA   . LEU   A 107 ? 0.47794  0.538995 0.294587 -0.0221695  0.103055    -0.0289813  119 LEU   A CA   
1486 C C    . LEU   A 107 ? 0.483748 0.567752 0.29526  -0.0253309  0.112738    -0.0121632  119 LEU   A C    
1487 O O    . LEU   A 107 ? 0.532582 0.619773 0.324982 -0.0324681  0.104917    -0.00113998 119 LEU   A O    
1488 C CB   . LEU   A 107 ? 0.506326 0.55261  0.288564 -0.0186721  0.106995    -0.0501239  119 LEU   A CB   
1489 C CG   . LEU   A 107 ? 0.492105 0.509391 0.278438 -0.0133666  0.102957    -0.0667782  119 LEU   A CG   
1490 C CD1  . LEU   A 107 ? 0.558939 0.561283 0.309243 -0.00937381 0.109071    -0.0875139  119 LEU   A CD1  
1491 C CD2  . LEU   A 107 ? 0.470794 0.487337 0.289196 -0.00040303 0.108781    -0.0661047  119 LEU   A CD2  
1492 H H    . LEU   A 107 ? 0.447846 0.491725 0.250977 -0.0347409  0.0793021   -0.0336778  119 LEU   A H    
1493 H HA   . LEU   A 107 ? 0.452562 0.512813 0.292135 -0.016487   0.106042    -0.0297757  119 LEU   A HA   
1494 H HB2  . LEU   A 107 ? 0.516192 0.560781 0.277805 -0.0255976  0.0994828   -0.0512054  119 LEU   A HB2  
1495 H HB3  . LEU   A 107 ? 0.521426 0.577797 0.296033 -0.0130053  0.11987     -0.0525361  119 LEU   A HB3  
1496 H HG   . LEU   A 107 ? 0.488601 0.495451 0.276562 -0.0211833  0.0916699   -0.0658209  119 LEU   A HG   
1497 H HD11 . LEU   A 107 ? 0.56381  0.567347 0.293517 -0.0178215  0.103398    -0.0890582  119 LEU   A HD11 
1498 H HD12 . LEU   A 107 ? 0.559596 0.538287 0.308385 -0.00653104 0.106147    -0.0981792  119 LEU   A HD12 
1499 H HD13 . LEU   A 107 ? 0.563534 0.578063 0.311854 -0.00105635 0.121488    -0.0893953  119 LEU   A HD13 
1500 H HD21 . LEU   A 107 ? 0.446627 0.469465 0.286528 -0.00365176 0.103165    -0.0547435  119 LEU   A HD21 
1501 H HD22 . LEU   A 107 ? 0.479882 0.51246  0.302283 0.00666026  0.120403    -0.0666576  119 LEU   A HD22 
1502 H HD23 . LEU   A 107 ? 0.483235 0.47693  0.2962   0.00426455  0.106092    -0.0769795  119 LEU   A HD23 
1503 N N    . PRO   A 108 ? 0.47615  0.577395 0.303879 -0.0200021  0.130786    -0.00950002 120 PRO   A N    
1504 C CA   . PRO   A 108 ? 0.481299 0.583206 0.333034 -0.00801323 0.138741    -0.0234277  120 PRO   A CA   
1505 C C    . PRO   A 108 ? 0.413533 0.515024 0.309223 -0.00631398 0.129742    -0.0174831  120 PRO   A C    
1506 O O    . PRO   A 108 ? 0.466017 0.562928 0.379193 0.00527689  0.130196    -0.0290915  120 PRO   A O    
1507 C CB   . PRO   A 108 ? 0.497528 0.627735 0.351581 -0.0047249  0.162134    -0.0217867  120 PRO   A CB   
1508 C CG   . PRO   A 108 ? 0.483432 0.625606 0.337387 -0.0189575  0.16292     0.00274576  120 PRO   A CG   
1509 C CD   . PRO   A 108 ? 0.486446 0.608545 0.307592 -0.025569   0.145025    0.00704476  120 PRO   A CD   
1510 H HA   . PRO   A 108 ? 0.485133 0.571275 0.320952 -0.00300755 0.136196    -0.0378449  120 PRO   A HA   
1511 H HB2  . PRO   A 108 ? 0.484872 0.625824 0.36736  0.00207604  0.167802    -0.0255243  120 PRO   A HB2  
1512 H HB3  . PRO   A 108 ? 0.522889 0.651423 0.349398 -0.00117216 0.16955     -0.0318327  120 PRO   A HB3  
1513 H HG2  . PRO   A 108 ? 0.46331  0.609942 0.34791  -0.021744   0.159053    0.0111877   120 PRO   A HG2  
1514 H HG3  . PRO   A 108 ? 0.506819 0.664366 0.350548 -0.0207912  0.178348    0.00657111  120 PRO   A HG3  
1515 H HD2  . PRO   A 108 ? 0.477826 0.599641 0.307295 -0.0322146  0.137889    0.0219607   120 PRO   A HD2  
1516 H HD3  . PRO   A 108 ? 0.517011 0.639538 0.30568  -0.0261163  0.149694    0.00428137  120 PRO   A HD3  
1517 N N    . LYS   A 109 ? 0.445751 0.549231 0.357235 -0.016055   0.119863    -0.000723   121 LYS   A N    
1518 C CA   . LYS   A 109 ? 0.417922 0.521048 0.367992 -0.0145976  0.11101     0.00328071  121 LYS   A CA   
1519 C C    . LYS   A 109 ? 0.42214  0.500048 0.372261 -0.00842634 0.0972823   -0.00810617 121 LYS   A C    
1520 O O    . LYS   A 109 ? 0.407307 0.484055 0.381862 -0.000345   0.0936847   -0.0120596  121 LYS   A O    
1521 C CB   . LYS   A 109 ? 0.466501 0.57294  0.429349 -0.0259994  0.103522    0.0221305   121 LYS   A CB   
1522 C CG   . LYS   A 109 ? 0.526416 0.654786 0.497394 -0.0332597  0.11858     0.036048    121 LYS   A CG   
1523 C CD   . LYS   A 109 ? 0.536505 0.664288 0.528634 -0.043961   0.112277    0.0544523   121 LYS   A CD   
1524 C CE   . LYS   A 109 ? 0.616802 0.759123 0.600521 -0.0540091  0.129827    0.069832    121 LYS   A CE   
1525 N NZ   . LYS   A 109 ? 0.622976 0.756253 0.613777 -0.0661374  0.125366    0.0907233   121 LYS   A NZ   
1526 H H    . LYS   A 109 ? 0.439051 0.543099 0.336068 -0.0229477  0.117722    0.00792459  121 LYS   A H    
1527 H HA   . LYS   A 109 ? 0.43104  0.54954  0.400965 -0.0099282  0.119784    0.00143818  121 LYS   A HA   
1528 H HB2  . LYS   A 109 ? 0.465277 0.561776 0.408983 -0.0298257  0.0962075   0.0247746   121 LYS   A HB2  
1529 H HB3  . LYS   A 109 ? 0.442401 0.545332 0.426949 -0.0250065  0.0957486   0.0225264   121 LYS   A HB3  
1530 H HG2  . LYS   A 109 ? 0.518822 0.661802 0.506642 -0.0289974  0.12841     0.0303166   121 LYS   A HG2  
1531 H HG3  . LYS   A 109 ? 0.541867 0.670696 0.48571  -0.0353193  0.124379    0.0381869   121 LYS   A HG3  
1532 H HD2  . LYS   A 109 ? 0.538979 0.652258 0.519494 -0.0454596  0.100535    0.0583782   121 LYS   A HD2  
1533 H HD3  . LYS   A 109 ? 0.526566 0.658739 0.547522 -0.0429513  0.109392    0.0521155   121 LYS   A HD3  
1534 H HE2  . LYS   A 109 ? 0.604806 0.765408 0.606809 -0.0534454  0.142035    0.0656273   121 LYS   A HE2  
1535 H HE3  . LYS   A 109 ? 0.622851 0.762768 0.575446 -0.0529223  0.133808    0.0695002   121 LYS   A HE3  
1536 H HZ1  . LYS   A 109 ? 0.60514  0.73775  0.622928 -0.0673289  0.119325    0.0899195   121 LYS   A HZ1  
1537 H HZ2  . LYS   A 109 ? 0.625698 0.744294 0.596734 -0.0655259  0.115592    0.095438    121 LYS   A HZ2  
1538 H HZ3  . LYS   A 109 ? 0.641531 0.783673 0.628897 -0.073047   0.138249    0.0995985   121 LYS   A HZ3  
1539 N N    . ILE   A 110 ? 0.394256 0.45242  0.318388 -0.013797   0.0881018   -0.0117742  122 ILE   A N    
1540 C CA   . ILE   A 110 ? 0.382752 0.416503 0.306319 -0.013346   0.0760678   -0.0181526  122 ILE   A CA   
1541 C C    . ILE   A 110 ? 0.407351 0.418034 0.299346 -0.0124924  0.077066    -0.0337313  122 ILE   A C    
1542 O O    . ILE   A 110 ? 0.389288 0.400466 0.257968 -0.0210326  0.0760569   -0.0363521  122 ILE   A O    
1543 C CB   . ILE   A 110 ? 0.363797 0.395829 0.290628 -0.0238722  0.0640176   -0.00932197 122 ILE   A CB   
1544 C CG1  . ILE   A 110 ? 0.40724  0.457995 0.357798 -0.0271132  0.0623206   0.00692383  122 ILE   A CG1  
1545 C CG2  . ILE   A 110 ? 0.354652 0.364642 0.283255 -0.0237232  0.0554824   -0.0150008  122 ILE   A CG2  
1546 C CD1  . ILE   A 110 ? 0.375913 0.431666 0.357899 -0.0218597  0.0620967   0.00976275  122 ILE   A CD1  
1547 H H    . ILE   A 110 ? 0.412379 0.473169 0.31826  -0.0185256  0.0895756   -0.0102952  122 ILE   A H    
1548 H HA   . ILE   A 110 ? 0.376003 0.407924 0.316188 -0.00678003 0.0750027   -0.0191363  122 ILE   A HA   
1549 H HB   . ILE   A 110 ? 0.383126 0.41492  0.292389 -0.0290963  0.0628946   -0.0112158  122 ILE   A HB   
1550 H HG12 . ILE   A 110 ? 0.398778 0.460511 0.342951 -0.0286925  0.0687233   0.0117814   122 ILE   A HG12 
1551 H HG13 . ILE   A 110 ? 0.38137  0.429562 0.331887 -0.0315894  0.0544672   0.0104828   122 ILE   A HG13 
1552 H HG21 . ILE   A 110 ? 0.343592 0.355924 0.277169 -0.0292759  0.0493964   -0.0104143  122 ILE   A HG21 
1553 H HG22 . ILE   A 110 ? 0.350468 0.358229 0.292227 -0.017001   0.0553291   -0.0148093  122 ILE   A HG22 
1554 H HG23 . ILE   A 110 ? 0.370607 0.365812 0.281294 -0.0248291  0.0562535   -0.0236648  122 ILE   A HG23 
1555 H HD11 . ILE   A 110 ? 0.372443 0.416386 0.357796 -0.0201697  0.05479     0.00612188  122 ILE   A HD11 
1556 H HD12 . ILE   A 110 ? 0.373348 0.438603 0.368431 -0.025849   0.0616227   0.0193736   122 ILE   A HD12 
1557 H HD13 . ILE   A 110 ? 0.386993 0.448302 0.372542 -0.0161665  0.0693557   0.00514359  122 ILE   A HD13 
1558 N N    . PRO   A 111 ? 0.410185 0.397895 0.299314 -0.00241445 0.0772164   -0.0445727  123 PRO   A N    
1559 C CA   . PRO   A 111 ? 0.445822 0.40297  0.303612 -0.00266499 0.0776438   -0.0598203  123 PRO   A CA   
1560 C C    . PRO   A 111 ? 0.471691 0.4076   0.316716 -0.0176068  0.067878    -0.0603902  123 PRO   A C    
1561 O O    . PRO   A 111 ? 0.42772  0.370154 0.289037 -0.0234143  0.0611872   -0.0502828  123 PRO   A O    
1562 C CB   . PRO   A 111 ? 0.451582 0.385732 0.312029 0.0145341   0.078617    -0.0682283  123 PRO   A CB   
1563 C CG   . PRO   A 111 ? 0.446798 0.398766 0.341932 0.0208558   0.0737517   -0.0564443  123 PRO   A CG   
1564 C CD   . PRO   A 111 ? 0.433797 0.421095 0.348519 0.0100154   0.0748914   -0.0427651  123 PRO   A CD   
1565 H HA   . PRO   A 111 ? 0.461888 0.426018 0.305676 -0.00354456 0.0834025   -0.0648399  123 PRO   A HA   
1566 H HB2  . PRO   A 111 ? 0.476029 0.380458 0.320456 0.0121583   0.073984    -0.0732939  123 PRO   A HB2  
1567 H HB3  . PRO   A 111 ? 0.475666 0.414552 0.332398 0.0236968   0.0863518   -0.0757829  123 PRO   A HB3  
1568 H HG2  . PRO   A 111 ? 0.44328  0.376055 0.335748 0.019137    0.0659025   -0.0544744  123 PRO   A HG2  
1569 H HG3  . PRO   A 111 ? 0.45008  0.408524 0.357043 0.0340422   0.0772226   -0.0602068  123 PRO   A HG3  
1570 H HD2  . PRO   A 111 ? 0.404544 0.390589 0.32965  0.00575589  0.067414    -0.0359383  123 PRO   A HD2  
1571 H HD3  . PRO   A 111 ? 0.416678 0.425711 0.347923 0.0154217   0.0812879   -0.040618   123 PRO   A HD3  
1572 N N    . SER   A 112 ? 0.429541 0.341981 0.246406 -0.0249001  0.0678782   -0.0734635  124 SER   A N    
1573 C CA   . SER   A 112 ? 0.445118 0.336423 0.252343 -0.0412399  0.0608741   -0.0758274  124 SER   A CA   
1574 C C    . SER   A 112 ? 0.448812 0.316232 0.263193 -0.0381318  0.0576028   -0.0696955  124 SER   A C    
1575 O O    . SER   A 112 ? 0.440363 0.285355 0.25169  -0.0226142  0.0588931   -0.0715771  124 SER   A O    
1576 C CB   . SER   A 112 ? 0.499703 0.361313 0.275338 -0.0484982  0.0624049   -0.093401   124 SER   A CB   
1577 O OG   . SER   A 112 ? 0.502282 0.341417 0.268509 -0.0676187  0.0578959   -0.0973313  124 SER   A OG   
1578 H H    . SER   A 112 ? 0.467418 0.377259 0.271163 -0.0207038  0.0727813   -0.0816947  124 SER   A H    
1579 H HA   . SER   A 112 ? 0.429083 0.341687 0.244269 -0.0502302  0.0572607   -0.070731   124 SER   A HA   
1580 H HB2  . SER   A 112 ? 0.498159 0.376788 0.26743  -0.0510763  0.0631213   -0.0973712  124 SER   A HB2  
1581 H HB3  . SER   A 112 ? 0.514842 0.355413 0.282023 -0.0372126  0.066056    -0.0990211  124 SER   A HB3  
1583 N N    . ASN   A 113 ? 0.439007 0.309491 0.259021 -0.0527473  0.0531323   -0.0642519  125 ASN   A N    
1584 C CA   . ASN   A 113 ? 0.512714 0.357185 0.329858 -0.0542989  0.0510366   -0.0593374  125 ASN   A CA   
1585 C C    . ASN   A 113 ? 0.490353 0.339028 0.32433  -0.0360589  0.0478945   -0.0500733  125 ASN   A C    
1586 O O    . ASN   A 113 ? 0.508061 0.324909 0.330361 -0.0290103  0.0452273   -0.0483159  125 ASN   A O    
1587 C CB   . ASN   A 113 ? 0.538775 0.332759 0.324301 -0.0593187  0.0534141   -0.0683537  125 ASN   A CB   
1588 C CG   . ASN   A 113 ? 0.573804 0.36677  0.34924  -0.0841609  0.0549674   -0.0761183  125 ASN   A CG   
1589 O OD1  . ASN   A 113 ? 0.551661 0.378864 0.345345 -0.0960684  0.0533067   -0.0726078  125 ASN   A OD1  
1590 N ND2  . ASN   A 113 ? 0.671171 0.424261 0.419253 -0.092131   0.057425    -0.087583   125 ASN   A ND2  
1591 H H    . ASN   A 113 ? 0.440244 0.330765 0.265242 -0.061626   0.0514835   -0.0637973  125 ASN   A H    
1592 H HA   . ASN   A 113 ? 0.480092 0.33659  0.303854 -0.0655676  0.0496721   -0.0564898  125 ASN   A HA   
1593 H HB2  . ASN   A 113 ? 0.564581 0.347758 0.342037 -0.0492073  0.0549574   -0.0743952  125 ASN   A HB2  
1594 H HB3  . ASN   A 113 ? 0.557733 0.330123 0.337227 -0.0566556  0.0521479   -0.0635012  125 ASN   A HB3  
1595 H HD21 . ASN   A 113 ? 0.663443 0.417507 0.407003 -0.107873   0.0579024   -0.093842   125 ASN   A HD21 
1596 H HD22 . ASN   A 113 ? 0.675922 0.400968 0.4108   -0.0816291  0.0580888   -0.0895579  125 ASN   A HD22 
1597 N N    . ALA   A 114 ? 0.419889 0.306138 0.279845 -0.0292256  0.0472227   -0.0439371  126 ALA   A N    
1598 C CA   . ALA   A 114 ? 0.402318 0.298743 0.28384  -0.0143858  0.0435251   -0.0370468  126 ALA   A CA   
1599 C C    . ALA   A 114 ? 0.376967 0.273577 0.26676  -0.0190003  0.036799    -0.0295679  126 ALA   A C    
1600 O O    . ALA   A 114 ? 0.380683 0.29275  0.276229 -0.0308654  0.0365      -0.0268622  126 ALA   A O    
1601 C CB   . ALA   A 114 ? 0.399024 0.333555 0.304715 -0.0102153  0.0469182   -0.0327035  126 ALA   A CB   
1602 H H    . ALA   A 114 ? 0.418653 0.324467 0.28289  -0.0346981  0.048602    -0.0439294  126 ALA   A H    
1603 H HA   . ALA   A 114 ? 0.423256 0.300675 0.297328 -0.00393535 0.0430841   -0.0406403  126 ALA   A HA   
1604 H HB1  . ALA   A 114 ? 0.405689 0.341042 0.30445  -0.00645502 0.0524157   -0.038004   126 ALA   A HB1  
1605 H HB2  . ALA   A 114 ? 0.379303 0.32862  0.289481 -0.0190986  0.0462712   -0.028622   126 ALA   A HB2  
1606 H HB3  . ALA   A 114 ? 0.382284 0.325461 0.30539  -0.00253236 0.0443329   -0.0288475  126 ALA   A HB3  
1607 N N    . THR   A 115 ? 0.382548 0.266275 0.275316 -0.00673163 0.0305576   -0.027188   127 THR   A N    
1608 C CA   . THR   A 115 ? 0.40199  0.289216 0.303341 -0.00777155 0.0233314   -0.021353   127 THR   A CA   
1609 C C    . THR   A 115 ? 0.366564 0.287053 0.303015 -0.0004869  0.0191444   -0.0173198  127 THR   A C    
1610 O O    . THR   A 115 ? 0.361719 0.291927 0.312301 0.0111189   0.0191905   -0.0190323  127 THR   A O    
1611 C CB   . THR   A 115 ? 0.446806 0.29669  0.32412  0.00035727  0.0171578   -0.0212986  127 THR   A CB   
1612 O OG1  . THR   A 115 ? 0.49773  0.314042 0.341348 -0.0113639  0.0232848   -0.0234238  127 THR   A OG1  
1613 C CG2  . THR   A 115 ? 0.453453 0.30657  0.33487  0.00033149  0.00941075  -0.0169485  127 THR   A CG2  
1614 H H    . THR   A 115 ? 0.40455  0.276936 0.293197 0.00356911  0.0300164   -0.0301244  127 THR   A H    
1615 H HA   . THR   A 115 ? 0.389306 0.280962 0.287915 -0.0189166  0.0254658   -0.0205483  127 THR   A HA   
1616 H HB   . THR   A 115 ? 0.460517 0.305427 0.340574 0.0132974   0.0138596   -0.0229881  127 THR   A HB   
1618 H HG21 . THR   A 115 ? 0.472484 0.300735 0.334792 0.00617416  0.00483209  -0.0161791  127 THR   A HG21 
1619 H HG22 . THR   A 115 ? 0.441753 0.29949  0.320211 -0.0111321  0.0135179   -0.0164063  127 THR   A HG22 
1620 H HG23 . THR   A 115 ? 0.429379 0.30428  0.334632 0.00606961  0.00475681  -0.0160263  127 THR   A HG23 
1621 N N    . LEU   A 116 ? 0.319579 0.257005 0.271726 -0.00709591 0.0156317   -0.0128028  128 LEU   A N    
1622 C CA   . LEU   A 116 ? 0.344077 0.307877 0.328461 -0.00419503 0.0117566   -0.00847011 128 LEU   A CA   
1623 C C    . LEU   A 116 ? 0.325184 0.284075 0.316632 -0.00063176 0.00056272  -0.00854185 128 LEU   A C    
1624 O O    . LEU   A 116 ? 0.347017 0.288137 0.31799  -0.00378142 -0.00144291 -0.0102614  128 LEU   A O    
1625 C CB   . LEU   A 116 ? 0.30121  0.286314 0.298204 -0.0137899  0.0159534   -0.00295612 128 LEU   A CB   
1626 C CG   . LEU   A 116 ? 0.3973   0.397425 0.395753 -0.015293   0.0252695   -0.00083154 128 LEU   A CG   
1627 C CD1  . LEU   A 116 ? 0.334205 0.319739 0.304968 -0.0172431  0.0310628   -0.00757573 128 LEU   A CD1  
1628 C CD2  . LEU   A 116 ? 0.378167 0.394957 0.386841 -0.0231709  0.0253205   0.00774016  128 LEU   A CD2  
1629 H H    . LEU   A 116 ? 0.336773 0.267947 0.279064 -0.0140086  0.0160655   -0.0129511  128 LEU   A H    
1630 H HA   . LEU   A 116 ? 0.328556 0.299176 0.322358 0.00253116  0.0129531   -0.00941646 128 LEU   A HA   
1631 H HB2  . LEU   A 116 ? 0.327096 0.306916 0.312811 -0.0195413  0.0164118   -0.0039197  128 LEU   A HB2  
1632 H HB3  . LEU   A 116 ? 0.316762 0.310913 0.331435 -0.0135768  0.0115181   0.00026896  128 LEU   A HB3  
1633 H HG   . LEU   A 116 ? 0.360424 0.368558 0.371536 -0.00975669 0.0267587   -0.00068563 128 LEU   A HG   
1634 H HD11 . LEU   A 116 ? 0.367671 0.340003 0.331717 -0.0107476  0.0309846   -0.0119969  128 LEU   A HD11 
1635 H HD12 . LEU   A 116 ? 0.358451 0.354145 0.327381 -0.0189066  0.0364071   -0.0068196  128 LEU   A HD12 
1636 H HD13 . LEU   A 116 ? 0.357014 0.335519 0.317717 -0.0234613  0.0294203   -0.00881975 128 LEU   A HD13 
1637 H HD21 . LEU   A 116 ? 0.371474 0.393773 0.397593 -0.0225773  0.0216847   0.0117597   128 LEU   A HD21 
1638 H HD22 . LEU   A 116 ? 0.378861 0.391305 0.379113 -0.0269827  0.0228638   0.0065096   128 LEU   A HD22 
1639 H HD23 . LEU   A 116 ? 0.383442 0.408767 0.38874  -0.0245968  0.0311412   0.0100744   128 LEU   A HD23 
1640 N N    . PHE   A 117 ? 0.291022 0.267432 0.311085 0.00447124  -0.00537872 -0.00753803 129 PHE   A N    
1641 C CA   . PHE   A 117 ? 0.290826 0.265799 0.321232 0.00738758  -0.0181489  -0.00949728 129 PHE   A CA   
1642 C C    . PHE   A 117 ? 0.267165 0.264225 0.330414 0.00027883  -0.0193531  -0.00560095 129 PHE   A C    
1643 O O    . PHE   A 117 ? 0.279074 0.296504 0.365201 -0.00207185 -0.0135234  -0.00175642 129 PHE   A O    
1644 C CB   . PHE   A 117 ? 0.316925 0.288527 0.351153 0.0209158   -0.0287003  -0.0142031  129 PHE   A CB   
1645 C CG   . PHE   A 117 ? 0.371123 0.345702 0.418957 0.0232567   -0.0444071  -0.0178988  129 PHE   A CG   
1646 C CD1  . PHE   A 117 ? 0.397959 0.399892 0.487158 0.0201305   -0.0494823  -0.0186996  129 PHE   A CD1  
1647 C CD2  . PHE   A 117 ? 0.421783 0.371412 0.43956  0.0265023   -0.0529376  -0.0209836  129 PHE   A CD2  
1648 C CE1  . PHE   A 117 ? 0.438757 0.441812 0.540104 0.0208006   -0.0654684  -0.0244367  129 PHE   A CE1  
1649 C CE2  . PHE   A 117 ? 0.417805 0.369074 0.444067 0.0293295   -0.0684568  -0.0264762  129 PHE   A CE2  
1650 C CZ   . PHE   A 117 ? 0.415132 0.392788 0.483969 0.0261385   -0.0754651  -0.028966   129 PHE   A CZ   
1651 H H    . PHE   A 117 ? 0.292401 0.282956 0.326313 0.00547384  -0.00122302 -0.00631939 129 PHE   A H    
1652 H HA   . PHE   A 117 ? 0.298478 0.259346 0.31086  0.00500622  -0.019513   -0.0106731  129 PHE   A HA   
1653 H HB2  . PHE   A 117 ? 0.342136 0.293092 0.350862 0.0257102   -0.0289563  -0.0155224  129 PHE   A HB2  
1654 H HB3  . PHE   A 117 ? 0.320221 0.308039 0.372896 0.0239171   -0.0255873  -0.0142274  129 PHE   A HB3  
1655 H HD1  . PHE   A 117 ? 0.384391 0.40349  0.492358 0.0165857   -0.0417538  -0.0157246  129 PHE   A HD1  
1656 H HD2  . PHE   A 117 ? 0.42431  0.355067 0.414268 0.0265515   -0.0481999  -0.0198054  129 PHE   A HD2  
1657 H HE1  . PHE   A 117 ? 0.411439 0.432139 0.541932 0.0166325   -0.068886   -0.0254842  129 PHE   A HE1  
1658 H HE2  . PHE   A 117 ? 0.439575 0.373317 0.441513 0.03182     -0.0735866  -0.028814   129 PHE   A HE2  
1659 H HZ   . PHE   A 117 ? 0.426304 0.404065 0.500765 0.0271493   -0.0870263  -0.0341072  129 PHE   A HZ   
1660 N N    . PHE   A 118 ? 0.302488 0.293204 0.367032 -0.00310849 -0.0267695  -0.00707543 130 PHE   A N    
1661 C CA   . PHE   A 118 ? 0.262498 0.265491 0.356489 -0.00951866 -0.0304185  -0.00401636 130 PHE   A CA   
1662 C C    . PHE   A 118 ? 0.307238 0.30182  0.407192 -0.00729437 -0.0452442  -0.0117835  130 PHE   A C    
1663 O O    . PHE   A 118 ? 0.328692 0.306504 0.403199 -0.00260352 -0.0495088  -0.0177831  130 PHE   A O    
1664 C CB   . PHE   A 118 ? 0.291638 0.293011 0.3832   -0.0164846  -0.024776   0.00199297  130 PHE   A CB   
1665 C CG   . PHE   A 118 ? 0.273534 0.284937 0.360558 -0.020553   -0.0124251  0.0103785   130 PHE   A CG   
1666 C CD1  . PHE   A 118 ? 0.27691  0.283882 0.338589 -0.0195271  -0.00564638 0.00851973  130 PHE   A CD1  
1667 C CD2  . PHE   A 118 ? 0.274716 0.299032 0.381122 -0.0268708  -0.00746983 0.0198501   130 PHE   A CD2  
1668 C CE1  . PHE   A 118 ? 0.300195 0.315912 0.355456 -0.0233356  0.00320575  0.0142293   130 PHE   A CE1  
1669 C CE2  . PHE   A 118 ? 0.328867 0.360812 0.424559 -0.0299624  0.0032455   0.0273334   130 PHE   A CE2  
1670 C CZ   . PHE   A 118 ? 0.287103 0.315323 0.357307 -0.0272928  0.00747061  0.0234546   130 PHE   A CZ   
1671 H H    . PHE   A 118 ? 0.293404 0.270642 0.339474 -0.00163925 -0.0289823  -0.0102461  130 PHE   A H    
1672 H HA   . PHE   A 118 ? 0.2779   0.29516  0.390567 -0.0109733  -0.0278669  -0.00124152 130 PHE   A HA   
1673 H HB2  . PHE   A 118 ? 0.283547 0.275008 0.358923 -0.0146695  -0.0258549  -0.00189109 130 PHE   A HB2  
1674 H HB3  . PHE   A 118 ? 0.280674 0.283364 0.388988 -0.0198405  -0.0291378  0.00362445  130 PHE   A HB3  
1675 H HD1  . PHE   A 118 ? 0.286412 0.283452 0.334095 -0.0173617  -0.00745752 0.00320406  130 PHE   A HD1  
1676 H HD2  . PHE   A 118 ? 0.287119 0.313804 0.411998 -0.0299105  -0.0113968  0.0211691   130 PHE   A HD2  
1677 H HE1  . PHE   A 118 ? 0.294684 0.307267 0.33364  -0.0237657  0.00682252  0.0115442   130 PHE   A HE1  
1678 H HE2  . PHE   A 118 ? 0.308693 0.348027 0.41352  -0.0347133  0.007762    0.0347686   130 PHE   A HE2  
1679 H HZ   . PHE   A 118 ? 0.302352 0.335908 0.364096 -0.0293563  0.0135385   0.0272543   130 PHE   A HZ   
1680 N N    . GLU   A 119 ? 0.314142 0.320775 0.446451 -0.0121129  -0.0517631  -0.0118981  131 GLU   A N    
1681 C CA   . GLU   A 119 ? 0.330627 0.328486 0.472317 -0.0137891  -0.0656107  -0.0195006  131 GLU   A CA   
1682 C C    . GLU   A 119 ? 0.325733 0.319788 0.481542 -0.0236932  -0.0611892  -0.0124655  131 GLU   A C    
1683 O O    . GLU   A 119 ? 0.359826 0.366948 0.537415 -0.0323791  -0.0538289  -0.00290553 131 GLU   A O    
1684 C CB   . GLU   A 119 ? 0.316312 0.329759 0.487588 -0.0141369  -0.0781125  -0.0259112  131 GLU   A CB   
1685 C CG   . GLU   A 119 ? 0.329524 0.333681 0.513334 -0.0184272  -0.094291   -0.0357992  131 GLU   A CG   
1686 C CD   . GLU   A 119 ? 0.340835 0.365275 0.556006 -0.0191013  -0.109154   -0.0444392  131 GLU   A CD   
1687 O OE1  . GLU   A 119 ? 0.359212 0.385136 0.563365 -0.006965   -0.123562   -0.0540086  131 GLU   A OE1  
1688 O OE2  . GLU   A 119 ? 0.394894 0.437307 0.649227 -0.0327216  -0.105886   -0.0405918  131 GLU   A OE2  
1689 H H    . GLU   A 119 ? 0.307814 0.328766 0.457145 -0.0152815  -0.0469323  -0.007704   131 GLU   A H    
1690 H HA   . GLU   A 119 ? 0.332498 0.316511 0.451738 -0.00844189 -0.0694279  -0.0250395  131 GLU   A HA   
1691 H HB2  . GLU   A 119 ? 0.32451  0.3389   0.485057 -0.00537422 -0.0824197  -0.0298988  131 GLU   A HB2  
1692 H HB3  . GLU   A 119 ? 0.3132   0.343077 0.507053 -0.0201893  -0.0717046  -0.0203722  131 GLU   A HB3  
1693 H HG2  . GLU   A 119 ? 0.331613 0.332129 0.527323 -0.0269971  -0.0906138  -0.0315241  131 GLU   A HG2  
1694 H HG3  . GLU   A 119 ? 0.34029  0.328305 0.499498 -0.012218   -0.0993041  -0.0417341  131 GLU   A HG3  
1695 N N    . ILE   A 120 ? 0.318593 0.293835 0.461896 -0.0216003  -0.066153   -0.0176869  132 ILE   A N    
1696 C CA   . ILE   A 120 ? 0.336509 0.301693 0.489426 -0.0269138  -0.0644953  -0.0115723  132 ILE   A CA   
1697 C C    . ILE   A 120 ? 0.337336 0.284023 0.497094 -0.026606   -0.0786952  -0.0234916  132 ILE   A C    
1698 O O    . ILE   A 120 ? 0.363678 0.302517 0.505328 -0.0185641  -0.0859824  -0.0369733  132 ILE   A O    
1699 C CB   . ILE   A 120 ? 0.357689 0.31899  0.488682 -0.0210728  -0.0559601  -0.00810332 132 ILE   A CB   
1700 C CG1  . ILE   A 120 ? 0.294638 0.271217 0.41288  -0.021222   -0.0434601  -0.00021723 132 ILE   A CG1  
1701 C CG2  . ILE   A 120 ? 0.397252 0.345756 0.537456 -0.0224222  -0.057459   -0.00161497 132 ILE   A CG2  
1702 C CD1  . ILE   A 120 ? 0.312614 0.289056 0.411838 -0.0167166  -0.0375676  -0.00062376 132 ILE   A CD1  
1703 H H    . ILE   A 120 ? 0.331343 0.298904 0.458438 -0.0157362  -0.0706982  -0.0254565  132 ILE   A H    
1704 H HA   . ILE   A 120 ? 0.333296 0.305498 0.502271 -0.03424    -0.0604467  -0.00285292 132 ILE   A HA   
1705 H HB   . ILE   A 120 ? 0.351732 0.307192 0.468719 -0.0152151  -0.0587371  -0.0172532  132 ILE   A HB   
1706 H HG12 . ILE   A 120 ? 0.307451 0.290696 0.436427 -0.0264945  -0.0392608  0.00870329  132 ILE   A HG12 
1707 H HG13 . ILE   A 120 ? 0.307138 0.287209 0.418957 -0.0191384  -0.043652   -0.00444808 132 ILE   A HG13 
1708 H HG21 . ILE   A 120 ? 0.385187 0.334912 0.514088 -0.0172515  -0.0536854  -0.00085773 132 ILE   A HG21 
1709 H HG22 . ILE   A 120 ? 0.389325 0.340575 0.54062  -0.02929    -0.0543924  0.00868668  132 ILE   A HG22 
1710 H HG23 . ILE   A 120 ? 0.400312 0.335911 0.54591  -0.021286   -0.0655576  -0.00880259 132 ILE   A HG23 
1711 H HD11 . ILE   A 120 ? 0.310809 0.281534 0.400692 -0.0124595  -0.0401762  -0.00945518 132 ILE   A HD11 
1712 H HD12 . ILE   A 120 ? 0.299755 0.284073 0.389536 -0.0177133  -0.0308119  0.00214692  132 ILE   A HD12 
1713 H HD13 . ILE   A 120 ? 0.310247 0.284809 0.41585  -0.0170612  -0.0380176  0.00463171  132 ILE   A HD13 
1714 N N    . GLU   A 121 ? 0.351618 0.290353 0.53565  -0.0366864  -0.0819634  -0.0181934  133 GLU   A N    
1715 C CA   . GLU   A 121 ? 0.375495 0.29033  0.567603 -0.0382755  -0.0951482  -0.0288143  133 GLU   A CA   
1716 C C    . GLU   A 121 ? 0.384731 0.277592 0.572826 -0.0357475  -0.0920345  -0.0211926  133 GLU   A C    
1717 O O    . GLU   A 121 ? 0.425794 0.316215 0.624357 -0.0442818  -0.0852603  -0.00410039 133 GLU   A O    
1718 C CB   . GLU   A 121 ? 0.392368 0.310945 0.618054 -0.0540657  -0.102876   -0.02931    133 GLU   A CB   
1719 C CG   . GLU   A 121 ? 0.445984 0.336362 0.679736 -0.0575853  -0.118474   -0.0429971  133 GLU   A CG   
1720 C CD   . GLU   A 121 ? 0.504941 0.397722 0.775813 -0.0773037  -0.126743   -0.0446691  133 GLU   A CD   
1721 O OE1  . GLU   A 121 ? 0.50905  0.431269 0.805231 -0.0891337  -0.119967   -0.0358575  133 GLU   A OE1  
1722 O OE2  . GLU   A 121 ? 0.496594 0.361151 0.771786 -0.0809621  -0.139774   -0.0565679  133 GLU   A OE2  
1723 H H    . GLU   A 121 ? 0.346602 0.293237 0.541555 -0.0435413  -0.0753217  -0.00752417 133 GLU   A H    
1724 H HA   . GLU   A 121 ? 0.380727 0.29123  0.558671 -0.0304839  -0.101287   -0.0412322  133 GLU   A HA   
1725 H HB2  . GLU   A 121 ? 0.386799 0.323221 0.617099 -0.0536561  -0.105556   -0.0340455  133 GLU   A HB2  
1726 H HB3  . GLU   A 121 ? 0.394752 0.317102 0.632704 -0.0628692  -0.0948527  -0.0163005  133 GLU   A HB3  
1727 H HG2  . GLU   A 121 ? 0.461146 0.331558 0.688531 -0.055237   -0.116355   -0.0389431  133 GLU   A HG2  
1728 H HG3  . GLU   A 121 ? 0.453293 0.341053 0.672565 -0.0487151  -0.126139   -0.0565548  133 GLU   A HG3  
1729 N N    . LEU   A 122 ? 0.403078 0.279628 0.574817 -0.0229163  -0.0972034  -0.0341265  134 LEU   A N    
1730 C CA   . LEU   A 122 ? 0.438434 0.294327 0.607927 -0.0156509  -0.0971212  -0.0300459  134 LEU   A CA   
1731 C C    . LEU   A 122 ? 0.43815  0.26139  0.624073 -0.0226856  -0.109213   -0.0340833  134 LEU   A C    
1732 O O    . LEU   A 122 ? 0.498105 0.30839  0.68165  -0.0192419  -0.119929   -0.0536004  134 LEU   A O    
1733 C CB   . LEU   A 122 ? 0.443059 0.300454 0.592353 0.00210316  -0.0955562  -0.0439382  134 LEU   A CB   
1734 C CG   . LEU   A 122 ? 0.441739 0.284574 0.591747 0.0143025   -0.0961352  -0.0410775  134 LEU   A CG   
1735 C CD1  . LEU   A 122 ? 0.434217 0.283217 0.588237 0.0111103   -0.0902168  -0.0184898  134 LEU   A CD1  
1736 C CD2  . LEU   A 122 ? 0.444194 0.301042 0.579144 0.0304426   -0.0912979  -0.0568178  134 LEU   A CD2  
1737 H H    . LEU   A 122 ? 0.405895 0.284597 0.567136 -0.0176885  -0.100838   -0.0459547  134 LEU   A H    
1738 H HA   . LEU   A 122 ? 0.421714 0.283718 0.592823 -0.0183401  -0.090226   -0.0155036  134 LEU   A HA   
1739 H HB2  . LEU   A 122 ? 0.417974 0.295491 0.557136 0.00353204  -0.0877443  -0.0419242  134 LEU   A HB2  
1740 H HB3  . LEU   A 122 ? 0.449522 0.29888  0.594254 0.00487029  -0.101908   -0.0583934  134 LEU   A HB3  
1741 H HG   . LEU   A 122 ? 0.470715 0.288771 0.627784 0.0146006   -0.104578   -0.0454626  134 LEU   A HG   
1742 H HD11 . LEU   A 122 ? 0.444389 0.281091 0.607477 0.00074796  -0.0923577  -0.00863737 134 LEU   A HD11 
1743 H HD12 . LEU   A 122 ? 0.446218 0.28834  0.598984 0.021865    -0.0922101  -0.0182313  134 LEU   A HD12 
1744 H HD13 . LEU   A 122 ? 0.41198  0.283753 0.559807 0.00881342  -0.0824647  -0.0144131  134 LEU   A HD13 
1745 H HD21 . LEU   A 122 ? 0.450771 0.302254 0.57904  0.0322496   -0.094509   -0.0708583  134 LEU   A HD21 
1746 H HD22 . LEU   A 122 ? 0.420879 0.299823 0.548948 0.0288809   -0.0829388  -0.0524581  134 LEU   A HD22 
1747 H HD23 . LEU   A 122 ? 0.454597 0.30385  0.593152 0.0404653   -0.0931884  -0.0576485  134 LEU   A HD23 
1748 N N    . LEU   A 123 ? 0.505775 0.313541 0.703943 -0.0324487  -0.107095   -0.0157689  135 LEU   A N    
1749 C CA   . LEU   A 123 ? 0.515084 0.286911 0.729811 -0.0442254  -0.116961   -0.015693   135 LEU   A CA   
1750 C C    . LEU   A 123 ? 0.590719 0.323441 0.795519 -0.0284793  -0.124814   -0.0207     135 LEU   A C    
1751 O O    . LEU   A 123 ? 0.624088 0.323801 0.834928 -0.0300715  -0.136986   -0.034569   135 LEU   A O    
1752 C CB   . LEU   A 123 ? 0.535307 0.307655 0.764575 -0.0644162  -0.108194   0.00881765  135 LEU   A CB   
1753 C CG   . LEU   A 123 ? 0.548501 0.362585 0.79195  -0.0784977  -0.0985302  0.0138273   135 LEU   A CG   
1754 C CD1  . LEU   A 123 ? 0.538699 0.356764 0.790645 -0.0956589  -0.085071   0.0387584   135 LEU   A CD1  
1755 C CD2  . LEU   A 123 ? 0.591993 0.412842 0.858847 -0.0900271  -0.10961    -0.00405019 135 LEU   A CD2  
1756 H H    . LEU   A 123 ? 0.475079 0.293165 0.669392 -0.0325616  -0.0991181  -0.00253348 135 LEU   A H    
1757 H HA   . LEU   A 123 ? 0.534013 0.3068   0.75653  -0.0494168  -0.124152   -0.0290728  135 LEU   A HA   
1758 H HB2  . LEU   A 123 ? 0.543157 0.311521 0.761022 -0.0583307  -0.102685   0.0218722   135 LEU   A HB2  
1759 H HB3  . LEU   A 123 ? 0.570752 0.316961 0.811177 -0.0745898  -0.11413    0.00938732  135 LEU   A HB3  
1760 H HG   . LEU   A 123 ? 0.517049 0.353238 0.748172 -0.0681158  -0.0940294  0.011021    135 LEU   A HG   
1761 H HD11 . LEU   A 123 ? 0.544729 0.357811 0.779564 -0.0877543  -0.0799687  0.0498044   135 LEU   A HD11 
1762 H HD12 . LEU   A 123 ? 0.523095 0.370638 0.784519 -0.101922   -0.0782439  0.0396047   135 LEU   A HD12 
1763 H HD13 . LEU   A 123 ? 0.5717   0.367574 0.835874 -0.10834    -0.0882468  0.0426082   135 LEU   A HD13 
1764 H HD21 . LEU   A 123 ? 0.574987 0.395094 0.831688 -0.0786013  -0.117425   -0.0196632  135 LEU   A HD21 
1765 H HD22 . LEU   A 123 ? 0.607195 0.405053 0.88685  -0.101349   -0.11476    -0.00322206 135 LEU   A HD22 
1766 H HD23 . LEU   A 123 ? 0.561244 0.410124 0.839981 -0.097364   -0.104082   -0.00110695 135 LEU   A HD23 
1767 N N    . ASP   A 124 ? 0.572582 0.308415 0.763938 -0.0132464  -0.119105   -0.00990868 136 ASP   A N    
1768 C CA   . ASP   A 124 ? 0.619236 0.320479 0.804313 0.0047149   -0.127075   -0.0121765  136 ASP   A CA   
1769 C C    . ASP   A 124 ? 0.630289 0.355117 0.803375 0.0226488   -0.120656   -0.00379301 136 ASP   A C    
1770 O O    . ASP   A 124 ? 0.59263  0.352277 0.761314 0.016644    -0.11008    0.00739676  136 ASP   A O    
1771 C CB   . ASP   A 124 ? 0.674525 0.328484 0.865502 -0.00611718 -0.132895   0.00569065  136 ASP   A CB   
1772 C CG   . ASP   A 124 ? 0.731872 0.334345 0.919708 0.0105751   -0.146671   -0.00398411 136 ASP   A CG   
1773 O OD1  . ASP   A 124 ? 0.730652 0.337275 0.913911 0.0323233   -0.151431   -0.0281003  136 ASP   A OD1  
1774 O OD2  . ASP   A 124 ? 0.790963 0.347377 0.98003  0.00137569  -0.151849   0.0120065   136 ASP   A OD2  
1775 H H    . ASP   A 124 ? 0.553329 0.314174 0.74001  -0.0134355  -0.110803   -0.00147222 136 ASP   A H    
1776 H HA   . ASP   A 124 ? 0.633133 0.326153 0.816872 0.0133507   -0.13311    -0.0311638  136 ASP   A HA   
1777 H HB2  . ASP   A 124 ? 0.678162 0.327652 0.880218 -0.0244639  -0.133115   0.00646725  136 ASP   A HB2  
1778 H HB3  . ASP   A 124 ? 0.6714   0.330302 0.856833 -0.00736665 -0.127275   0.0244335   136 ASP   A HB3  
1779 N N    . PHE   A 125 ? 0.645666 0.35207  0.815198 0.0453524   -0.128118   -0.011295   137 PHE   A N    
1780 C CA   . PHE   A 125 ? 0.598229 0.325157 0.761609 0.0629402   -0.125854   -0.00304241 137 PHE   A CA   
1781 C C    . PHE   A 125 ? 0.668433 0.357645 0.832912 0.0859053   -0.138966   -0.00582548 137 PHE   A C    
1782 O O    . PHE   A 125 ? 0.702867 0.361251 0.871471 0.0934247   -0.146891   -0.0242008  137 PHE   A O    
1783 C CB   . PHE   A 125 ? 0.561106 0.337772 0.722029 0.0710734   -0.116387   -0.0197463  137 PHE   A CB   
1784 C CG   . PHE   A 125 ? 0.579254 0.357397 0.740461 0.0817462   -0.117159   -0.0488795  137 PHE   A CG   
1785 C CD1  . PHE   A 125 ? 0.607624 0.390098 0.764292 0.0679059   -0.114157   -0.0603744  137 PHE   A CD1  
1786 C CD2  . PHE   A 125 ? 0.583779 0.36377  0.74832  0.106752    -0.120224   -0.0654648  137 PHE   A CD2  
1787 C CE1  . PHE   A 125 ? 0.639992 0.423194 0.789688 0.077447    -0.114462   -0.0866025  137 PHE   A CE1  
1788 C CE2  . PHE   A 125 ? 0.595244 0.380103 0.75606  0.115934    -0.117641   -0.0930078  137 PHE   A CE2  
1789 C CZ   . PHE   A 125 ? 0.628685 0.412592 0.779182 0.100777    -0.114885   -0.102944   137 PHE   A CZ   
1790 H H    . PHE   A 125 ? 0.663317 0.345086 0.835355 0.0507027   -0.135463   -0.0232157  137 PHE   A H    
1791 H HA   . PHE   A 125 ? 0.605651 0.337378 0.765246 0.0537672   -0.122164   0.0158033   137 PHE   A HA   
1792 H HB2  . PHE   A 125 ? 0.559565 0.351101 0.719819 0.0826349   -0.116092   -0.0160097  137 PHE   A HB2  
1793 H HB3  . PHE   A 125 ? 0.537668 0.334011 0.695826 0.0572793   -0.108893   -0.0144246  137 PHE   A HB3  
1794 H HD1  . PHE   A 125 ? 0.590483 0.375086 0.748025 0.0524495   -0.112405   -0.0505275  137 PHE   A HD1  
1795 H HD2  . PHE   A 125 ? 0.598198 0.377896 0.767054 0.118324    -0.123864   -0.0584821  137 PHE   A HD2  
1796 H HE1  . PHE   A 125 ? 0.621313 0.405741 0.765209 0.0686078   -0.114304   -0.0936158  137 PHE   A HE1  
1797 H HE2  . PHE   A 125 ? 0.617224 0.405066 0.781902 0.13359     -0.118509   -0.105264   137 PHE   A HE2  
1798 H HZ   . PHE   A 125 ? 0.632492 0.417737 0.776259 0.107211    -0.113447   -0.121283   137 PHE   A HZ   
1799 N N    . LYS   A 126 ? 0.680596 0.370594 0.839719 0.0978705   -0.142559   0.0121051   138 LYS   A N    
1800 C CA   . LYS   A 126 ? 0.728164 0.377943 0.886385 0.121378    -0.157422   0.0152163   138 LYS   A CA   
1801 C C    . LYS   A 126 ? 0.715457 0.405002 0.875433 0.145401    -0.159535   0.0147359   138 LYS   A C    
1802 O O    . LYS   A 126 ? 0.637025 0.362379 0.790835 0.136991    -0.152838   0.0282375   138 LYS   A O    
1803 C CB   . LYS   A 126 ? 0.786016 0.379611 0.932668 0.108073    -0.164058   0.0438626   138 LYS   A CB   
1804 H H    . LYS   A 126 ? 0.655748 0.371668 0.810522 0.0920426   -0.136433   0.0224877   138 LYS   A H    
1805 H HA   . LYS   A 126 ? 0.74752  0.381213 0.911773 0.130668    -0.161818   -0.00310093 138 LYS   A HA   
1808 N N    . GLY   A 127 ? 0.803064 0.489038 0.973673 0.175644    -0.168961   -0.00378687 139 GLY   A N    
1809 C CA   . GLY   A 127 ? 0.824624 0.54493  1.00265  0.201616    -0.175298   -0.00438096 139 GLY   A CA   
1810 C C    . GLY   A 127 ? 0.925589 0.612584 1.08764  0.20696     -0.189229   0.0267595   139 GLY   A C    
1811 O O    . GLY   A 127 ? 1.00497  0.629333 1.15912  0.215725    -0.202132   0.0357839   139 GLY   A O    
1812 H H    . GLY   A 127 ? 0.809654 0.472605 0.984175 0.18069     -0.17189    -0.0175917  139 GLY   A H    
1813 H HA2  . GLY   A 127 ? 0.789818 0.556131 0.971222 0.194842    -0.165815   -0.0079207  139 GLY   A HA2  
1814 H HA3  . GLY   A 127 ? 0.846531 0.565854 1.03598  0.222705    -0.180259   -0.0220706  139 GLY   A HA3  
1815 N N    . GLU   A 128 ? 0.935663 0.660001 1.08874  0.198678    -0.185777   0.043427    140 GLU   A N    
1816 C CA   . GLU   A 128 ? 0.974781 0.680889 1.1095   0.209366    -0.200182   0.0702969   140 GLU   A CA   
1817 C C    . GLU   A 128 ? 1.08268  0.806943 1.23424  0.249519    -0.217922   0.0573814   140 GLU   A C    
1818 O O    . GLU   A 128 ? 1.07102  0.858466 1.23452  0.256538    -0.217224   0.0494137   140 GLU   A O    
1819 C CB   . GLU   A 128 ? 0.905368 0.647472 1.02334  0.187861    -0.190689   0.0880063   140 GLU   A CB   
1820 O OXT  . GLU   A 128 ? 1.06489  0.740116 1.21944  0.273012    -0.232338   0.0538805   140 GLU   A OXT  
1821 H H    . GLU   A 128 ? 0.884499 0.645652 1.04093  0.185986    -0.174371   0.0374103   140 GLU   A H    
1822 H HA   . GLU   A 128 ? 1.02267  0.677128 1.14396  0.205325    -0.205379   0.0849466   140 GLU   A HA   
1825 N N    . GLY   B 1   ? 1.22415  0.489319 0.658954 -0.0615712  -0.15554    -0.190141   13  GLY   B N    
1826 C CA   . GLY   B 1   ? 1.1511   0.469981 0.669155 -0.0871608  -0.16223    -0.165638   13  GLY   B CA   
1827 C C    . GLY   B 1   ? 1.09944  0.472361 0.624705 -0.0878898  -0.156764   -0.152806   13  GLY   B C    
1828 O O    . GLY   B 1   ? 1.14018  0.507358 0.607856 -0.0706324  -0.146602   -0.160066   13  GLY   B O    
1829 H H1   . GLY   B 1   ? 1.26359  0.48981  0.691016 -0.0613897  -0.16358    -0.200339   13  GLY   B H1   
1830 H H2   . GLY   B 1   ? 1.20249  0.486641 0.62942  -0.0455506  -0.128201   -0.185467   13  GLY   B H2   
1831 H H3   . GLY   B 1   ? 1.25817  0.508826 0.655724 -0.0609748  -0.170362   -0.200028   13  GLY   B H3   
1832 H HA2  . GLY   B 1   ? 1.1744   0.474092 0.710242 -0.105109   -0.189799   -0.169723   13  GLY   B HA2  
1833 H HA3  . GLY   B 1   ? 1.1157   0.453009 0.666898 -0.0851976  -0.142768   -0.153431   13  GLY   B HA3  
1834 N N    . ALA   B 2   ? 1.03418  0.455871 0.629038 -0.107452   -0.163035   -0.133451   14  ALA   B N    
1835 C CA   . ALA   B 2   ? 0.985538 0.454787 0.593087 -0.107916   -0.160082   -0.121106   14  ALA   B CA   
1836 C C    . ALA   B 2   ? 0.941997 0.439839 0.532624 -0.0874005  -0.12       -0.113284   14  ALA   B C    
1837 O O    . ALA   B 2   ? 0.950959 0.45312  0.503033 -0.0778385  -0.114962   -0.113727   14  ALA   B O    
1838 C CB   . ALA   B 2   ? 0.945398 0.462565 0.636014 -0.12884    -0.168303   -0.102641   14  ALA   B CB   
1839 H H    . ALA   B 2   ? 1.02382  0.448065 0.659181 -0.120106   -0.168193   -0.12741    14  ALA   B H    
1840 H HA   . ALA   B 2   ? 1.02837  0.477028 0.599265 -0.107267   -0.180112   -0.130677   14  ALA   B HA   
1841 H HB1  . ALA   B 2   ? 0.966686 0.468321 0.672795 -0.143002   -0.194348   -0.107429   14  ALA   B HB1  
1842 H HB2  . ALA   B 2   ? 0.908009 0.442265 0.628699 -0.129087   -0.14905    -0.0930657  14  ALA   B HB2  
1843 H HB3  . ALA   B 2   ? 0.913591 0.459657 0.61241  -0.127293   -0.166669   -0.0954027  14  ALA   B HB3  
1844 N N    . PRO   B 3   ? 0.902663 0.419965 0.521399 -0.0803201  -0.0917456  -0.104992   15  PRO   B N    
1845 C CA   . PRO   B 3   ? 0.872086 0.421014 0.484499 -0.0627916  -0.0577056  -0.0985833  15  PRO   B CA   
1846 C C    . PRO   B 3   ? 0.91681  0.434961 0.460308 -0.0436109  -0.0465123  -0.112944   15  PRO   B C    
1847 O O    . PRO   B 3   ? 0.9397   0.479578 0.467751 -0.0354557  -0.028354   -0.107879   15  PRO   B O    
1848 C CB   . PRO   B 3   ? 0.822868 0.383094 0.467143 -0.0565084  -0.0387364  -0.0919573  15  PRO   B CB   
1849 C CG   . PRO   B 3   ? 0.85845  0.409632 0.54221  -0.0770793  -0.0597626  -0.0857252  15  PRO   B CG   
1850 C CD   . PRO   B 3   ? 0.91791  0.424865 0.572757 -0.0877912  -0.0918763  -0.100822   15  PRO   B CD   
1851 H HA   . PRO   B 3   ? 0.829014 0.410449 0.463011 -0.0674249  -0.0549649  -0.0888126  15  PRO   B HA   
1852 H HB2  . PRO   B 3   ? 0.866798 0.401754 0.483692 -0.0436177  -0.0313238  -0.101104   15  PRO   B HB2  
1853 H HB3  . PRO   B 3   ? 0.792498 0.389195 0.459953 -0.0533188  -0.0232171  -0.0823047  15  PRO   B HB3  
1854 H HG2  . PRO   B 3   ? 0.857401 0.395909 0.548138 -0.0737302  -0.053665   -0.0838937  15  PRO   B HG2  
1855 H HG3  . PRO   B 3   ? 0.810411 0.395823 0.530289 -0.0861957  -0.0590365  -0.0739843  15  PRO   B HG3  
1856 H HD2  . PRO   B 3   ? 0.95958  0.42661  0.584863 -0.0814705  -0.0953648  -0.112727   15  PRO   B HD2  
1857 H HD3  . PRO   B 3   ? 0.906616 0.41994  0.595504 -0.104609   -0.107979   -0.0952332  15  PRO   B HD3  
1858 N N    . ALA   B 4   ? 0.943182 0.407736 0.444405 -0.0362794  -0.0560698  -0.130915   16  ALA   B N    
1859 C CA   . ALA   B 4   ? 1.01323  0.44197  0.440591 -0.0152644  -0.0442427  -0.147343   16  ALA   B CA   
1860 C C    . ALA   B 4   ? 1.03928  0.457494 0.41566  -0.0168868  -0.0562917  -0.149404   16  ALA   B C    
1861 O O    . ALA   B 4   ? 1.05917  0.477183 0.389842 -0.00023063 -0.0312405  -0.150096   16  ALA   B O    
1862 C CB   . ALA   B 4   ? 1.09818  0.46258  0.487773 -0.00871503 -0.0598132  -0.169443   16  ALA   B CB   
1863 H H    . ALA   B 4   ? 0.962224 0.409992 0.479794 -0.0439586  -0.0691767  -0.133298   16  ALA   B H    
1864 H HA   . ALA   B 4   ? 0.992332 0.443245 0.424959 -0.00209928 -0.0166179  -0.14295    16  ALA   B HA   
1865 H HB1  . ALA   B 4   ? 1.07815  0.445284 0.498281 -0.00709896 -0.0529047  -0.166464   16  ALA   B HB1  
1866 H HB2  . ALA   B 4   ? 1.11997  0.461999 0.504964 -0.0226602  -0.0886763  -0.174966   16  ALA   B HB2  
1867 H HB3  . ALA   B 4   ? 1.14192  0.48268  0.480796 0.00842243  -0.0482533  -0.181394   16  ALA   B HB3  
1868 N N    . THR   B 5   ? 1.04173  0.447191 0.423595 -0.035868   -0.0955815  -0.150601   17  THR   B N    
1869 C CA   . THR   B 5   ? 1.06591  0.461714 0.40532  -0.0388512  -0.116359   -0.149778   17  THR   B CA   
1870 C C    . THR   B 5   ? 1.00773  0.455133 0.372005 -0.0381652  -0.0922123  -0.126986   17  THR   B C    
1871 O O    . THR   B 5   ? 1.05541  0.494364 0.368813 -0.030498   -0.0875202  -0.122424   17  THR   B O    
1872 C CB   . THR   B 5   ? 1.06142  0.448453 0.432231 -0.0614819  -0.165018   -0.152714   17  THR   B CB   
1873 O OG1  . THR   B 5   ? 1.11219  0.443899 0.456591 -0.0632941  -0.187968   -0.175724   17  THR   B OG1  
1874 C CG2  . THR   B 5   ? 1.09266  0.473293 0.429118 -0.0645905  -0.194504   -0.150112   17  THR   B CG2  
1875 H H    . THR   B 5   ? 1.02989  0.433096 0.446108 -0.047521   -0.111001   -0.151046   17  THR   B H    
1876 H HA   . THR   B 5   ? 1.12876  0.48821  0.40377  -0.0261194  -0.115031   -0.16242    17  THR   B HA   
1877 H HB   . THR   B 5   ? 1.00143  0.424413 0.4368   -0.072993   -0.162753   -0.140377   17  THR   B HB   
1879 H HG21 . THR   B 5   ? 1.10368  0.478315 0.462656 -0.0781252  -0.227334   -0.154296   17  THR   B HG21 
1880 H HG22 . THR   B 5   ? 1.15488  0.500862 0.421722 -0.0518202  -0.193853   -0.160303   17  THR   B HG22 
1881 H HG23 . THR   B 5   ? 1.0499   0.466043 0.41125  -0.0651582  -0.181677   -0.133846   17  THR   B HG23 
1882 N N    . VAL   B 6   ? 0.945291 0.442785 0.386262 -0.04666    -0.0781165  -0.112124   18  VAL   B N    
1883 C CA   . VAL   B 6   ? 0.889163 0.431743 0.358208 -0.0470472  -0.0573826  -0.0932513  18  VAL   B CA   
1884 C C    . VAL   B 6   ? 0.887534 0.436074 0.328154 -0.0300234  -0.0169817  -0.0917383  18  VAL   B C    
1885 O O    . VAL   B 6   ? 0.917343 0.473038 0.335704 -0.0269557  -0.00345754 -0.0811798  18  VAL   B O    
1886 C CB   . VAL   B 6   ? 0.804164 0.395961 0.356155 -0.0587898  -0.0539507  -0.0804642  18  VAL   B CB   
1887 C CG1  . VAL   B 6   ? 0.762395 0.392792 0.336384 -0.0570285  -0.031562   -0.0653077  18  VAL   B CG1  
1888 C CG2  . VAL   B 6   ? 0.821213 0.416827 0.410653 -0.0757991  -0.0891167  -0.0783455  18  VAL   B CG2  
1889 H H    . VAL   B 6   ? 0.91975  0.421265 0.394283 -0.0523074  -0.0818981  -0.113706   18  VAL   B H    
1890 H HA   . VAL   B 6   ? 0.906737 0.442811 0.357302 -0.0501009  -0.0720158  -0.0894025  18  VAL   B HA   
1891 H HB   . VAL   B 6   ? 0.796568 0.391778 0.364054 -0.0556342  -0.042586   -0.0836569  18  VAL   B HB   
1892 H HG11 . VAL   B 6   ? 0.784561 0.405369 0.334225 -0.0574214  -0.0394387  -0.0614778  18  VAL   B HG11 
1893 H HG12 . VAL   B 6   ? 0.759566 0.395528 0.325426 -0.0484011  -0.00829548 -0.0658692  18  VAL   B HG12 
1894 H HG13 . VAL   B 6   ? 0.717194 0.37523  0.338193 -0.0639076  -0.0330651  -0.0588461  18  VAL   B HG13 
1895 H HG21 . VAL   B 6   ? 0.765034 0.391658 0.403772 -0.0814133  -0.0830213  -0.0702301  18  VAL   B HG21 
1896 H HG22 . VAL   B 6   ? 0.84385  0.413537 0.422452 -0.0790204  -0.104308   -0.0881991  18  VAL   B HG22 
1897 H HG23 . VAL   B 6   ? 0.827725 0.420623 0.403642 -0.0773933  -0.102522   -0.0750489  18  VAL   B HG23 
1898 N N    . THR   B 7   ? 0.9111   0.458303 0.357181 -0.0188664  0.003123    -0.100389   19  THR   B N    
1899 C CA   . THR   B 7   ? 0.952477 0.504192 0.371303 -0.00025291 0.0408712   -0.101544   19  THR   B CA   
1900 C C    . THR   B 7   ? 0.995175 0.505576 0.328943 0.00950366  0.0424803   -0.107286   19  THR   B C    
1901 O O    . THR   B 7   ? 1.0266   0.549501 0.339306 0.0157941   0.0701578   -0.096299   19  THR   B O    
1902 C CB   . THR   B 7   ? 0.963834 0.50702  0.389605 0.0147488   0.0545996   -0.114262   19  THR   B CB   
1903 O OG1  . THR   B 7   ? 0.881508 0.465134 0.380302 0.00615563  0.0539576   -0.104446   19  THR   B OG1  
1904 C CG2  . THR   B 7   ? 1.00134  0.547785 0.398668 0.0376245   0.0935551   -0.118368   19  THR   B CG2  
1905 H H    . THR   B 7   ? 0.897366 0.441605 0.366528 -0.0223499  -0.00601797 -0.104701   19  THR   B H    
1906 H HA   . THR   B 7   ? 0.899996 0.487285 0.35178  -0.00315723 0.056465    -0.0894544  19  THR   B HA   
1907 H HB   . THR   B 7   ? 1.00081  0.50655  0.400048 0.0153109   0.0361143   -0.126492   19  THR   B HB   
1909 H HG21 . THR   B 7   ? 1.00049  0.544614 0.409953 0.0481597   0.100377    -0.125685   19  THR   B HG21 
1910 H HG22 . THR   B 7   ? 0.966031 0.548679 0.390788 0.0352402   0.11111     -0.106169   19  THR   B HG22 
1911 H HG23 . THR   B 7   ? 1.05751  0.571984 0.397884 0.044672    0.0942822   -0.125701   19  THR   B HG23 
1912 N N    . GLU   B 8   ? 1.06949  0.527637 0.351719 0.00996301  0.0113264   -0.124211   20  GLU   B N    
1913 C CA   . GLU   B 8   ? 1.145    0.554282 0.330707 0.0235716   0.0107356   -0.134176   20  GLU   B CA   
1914 C C    . GLU   B 8   ? 1.18729  0.598465 0.346602 0.0153402   -0.00107689 -0.117085   20  GLU   B C    
1915 O O    . GLU   B 8   ? 1.23084  0.626031 0.325443 0.0280518   0.0216048   -0.111488   20  GLU   B O    
1916 C CB   . GLU   B 8   ? 1.19773  0.545465 0.333102 0.0286134   -0.020274   -0.161839   20  GLU   B CB   
1917 H H    . GLU   B 8   ? 1.05005  0.501609 0.355729 0.00176089  -0.00986597 -0.12979    20  GLU   B H    
1918 H HA   . GLU   B 8   ? 1.16579  0.579397 0.333226 0.0381175   0.0433255   -0.134374   20  GLU   B HA   
1921 N N    . GLN   B 9   ? 1.13901  0.564286 0.341474 -0.00380027 -0.0371015  -0.108724   21  GLN   B N    
1922 C CA   . GLN   B 9   ? 1.24815  0.660871 0.414172 -0.00797644 -0.0592312  -0.0964873  21  GLN   B CA   
1923 C C    . GLN   B 9   ? 1.11257  0.575372 0.346328 -0.0195328  -0.0492239  -0.0711625  21  GLN   B C    
1924 O O    . GLN   B 9   ? 1.14637  0.60077  0.349979 -0.0193635  -0.0556161  -0.0558353  21  GLN   B O    
1925 C CB   . GLN   B 9   ? 1.30468  0.688654 0.457655 -0.0179732  -0.116672   -0.106533   21  GLN   B CB   
1926 C CG   . GLN   B 9   ? 1.42774  0.755389 0.519283 -0.0113424  -0.141133   -0.135362   21  GLN   B CG   
1927 C CD   . GLN   B 9   ? 1.5253   0.805827 0.505199 0.011849    -0.11988    -0.144047   21  GLN   B CD   
1928 O OE1  . GLN   B 9   ? 1.62985  0.900191 0.553798 0.0188314   -0.115385   -0.129446   21  GLN   B OE1  
1929 N NE2  . GLN   B 9   ? 1.62822  0.879188 0.574598 0.0256245   -0.103242   -0.166276   21  GLN   B NE2  
1930 H H    . GLN   B 9   ? 1.11157  0.553518 0.365894 -0.01322    -0.0482167  -0.110325   21  GLN   B H    
1931 H HA   . GLN   B 9   ? 1.28143  0.670654 0.383537 0.00421509  -0.0437556  -0.0959688  21  GLN   B HA   
1932 H HB2  . GLN   B 9   ? 1.24993  0.662234 0.470119 -0.0308772  -0.129493   -0.102788   21  GLN   B HB2  
1933 H HB3  . GLN   B 9   ? 1.33788  0.712757 0.459526 -0.0166143  -0.127622   -0.0969752  21  GLN   B HB3  
1934 H HG2  . GLN   B 9   ? 1.39044  0.724334 0.516161 -0.0133188  -0.133097   -0.143951   21  GLN   B HG2  
1935 H HG3  . GLN   B 9   ? 1.43822  0.752211 0.529262 -0.0199818  -0.180136   -0.140431   21  GLN   B HG3  
1936 H HE21 . GLN   B 9   ? 1.66618  0.891632 0.548398 0.0412848   -0.0858838  -0.172045   21  GLN   B HE21 
1937 H HE22 . GLN   B 9   ? 1.57827  0.833766 0.565199 0.0201704   -0.108558   -0.174978   21  GLN   B HE22 
1938 N N    . GLY   B 10  ? 1.01886  0.52779  0.338652 -0.0285072  -0.0371488  -0.0675439  22  GLY   B N    
1939 C CA   . GLY   B 10  ? 0.947141 0.500861 0.336679 -0.039829   -0.0340663  -0.0490975  22  GLY   B CA   
1940 C C    . GLY   B 10  ? 0.976675 0.540482 0.35377  -0.0368524  -0.00489915 -0.0298447  22  GLY   B C    
1941 O O    . GLY   B 10  ? 0.940229 0.504562 0.294052 -0.0282387  0.0309502   -0.0282684  22  GLY   B O    
1942 H H    . GLY   B 10  ? 1.00952  0.5198   0.342505 -0.0263324  -0.0307889  -0.077581   22  GLY   B H    
1943 H HA2  . GLY   B 10  ? 0.951503 0.502817 0.352342 -0.0465299  -0.0622193  -0.0473517  22  GLY   B HA2  
1944 H HA3  . GLY   B 10  ? 0.901712 0.482043 0.3408   -0.0433611  -0.0247868  -0.051041   22  GLY   B HA3  
1945 N N    . GLU   B 11  ? 0.932623 0.507931 0.336902 -0.0448661  -0.0202179  -0.0146306  23  GLU   B N    
1946 C CA   . GLU   B 11  ? 0.938138 0.521291 0.34418  -0.0461133  0.00245237  0.00597662  23  GLU   B CA   
1947 C C    . GLU   B 11  ? 0.857686 0.487329 0.338228 -0.0524772  0.0297793   0.00753567  23  GLU   B C    
1948 O O    . GLU   B 11  ? 0.741034 0.398943 0.281721 -0.0582852  0.0175927   0.00028145  23  GLU   B O    
1949 C CB   . GLU   B 11  ? 0.952203 0.527492 0.366495 -0.0503718  -0.0304502  0.0182735   23  GLU   B CB   
1950 C CG   . GLU   B 11  ? 0.96684  0.535948 0.373718 -0.0515078  -0.0141267  0.0420438   23  GLU   B CG   
1951 H H    . GLU   B 11  ? 0.926658 0.504357 0.351886 -0.049788   -0.0461738  -0.0171115  23  GLU   B H    
1952 H HA   . GLU   B 11  ? 0.987956 0.550043 0.34202  -0.0393549  0.019183    0.00989844  23  GLU   B HA   
1953 H HB2  . GLU   B 11  ? 0.997264 0.545717 0.368758 -0.0462749  -0.0534757  0.0143913   23  GLU   B HB2  
1954 H HB3  . GLU   B 11  ? 0.900225 0.499943 0.369147 -0.0560013  -0.0422474  0.0143816   23  GLU   B HB3  
1957 N N    . ASP   B 12  ? 0.829348 0.468399 0.308099 -0.0517916  0.0662204   0.017525    24  ASP   B N    
1958 C CA   . ASP   B 12  ? 0.761116 0.443942 0.313044 -0.0593035  0.0858061   0.0190356   24  ASP   B CA   
1959 C C    . ASP   B 12  ? 0.747205 0.436281 0.335385 -0.0693394  0.0754274   0.032476    24  ASP   B C    
1960 O O    . ASP   B 12  ? 0.742834 0.409925 0.302661 -0.0714509  0.0830919   0.0500254   24  ASP   B O    
1961 C CB   . ASP   B 12  ? 0.771406 0.467875 0.32143  -0.0563521  0.126381    0.0233255   24  ASP   B CB   
1962 C CG   . ASP   B 12  ? 0.695246 0.437496 0.321203 -0.0647429  0.144021    0.0241928   24  ASP   B CG   
1963 O OD1  . ASP   B 12  ? 0.655973 0.416918 0.332392 -0.0723959  0.124924    0.0206072   24  ASP   B OD1  
1964 O OD2  . ASP   B 12  ? 0.69707  0.455398 0.329807 -0.0631904  0.17703     0.0289146   24  ASP   B OD2  
1965 H H    . ASP   B 12  ? 0.885364 0.503972 0.317733 -0.0468205  0.0787378   0.0234008   24  ASP   B H    
1966 H HA   . ASP   B 12  ? 0.726143 0.425584 0.307384 -0.0590161  0.0778252   0.00754021  24  ASP   B HA   
1967 H HB2  . ASP   B 12  ? 0.782851 0.474584 0.31103  -0.047424   0.132098    0.0130272   24  ASP   B HB2  
1968 H HB3  . ASP   B 12  ? 0.811589 0.489426 0.327808 -0.0565554  0.137123    0.0361274   24  ASP   B HB3  
1969 N N    . ILE   B 13  ? 0.691226 0.405461 0.336406 -0.0737268  0.0579464   0.0245376   25  ILE   B N    
1970 C CA   . ILE   B 13  ? 0.711949 0.427616 0.389219 -0.0794007  0.0447551   0.0335337   25  ILE   B CA   
1971 C C    . ILE   B 13  ? 0.656735 0.402284 0.391512 -0.0869588  0.0618191   0.0322636   25  ILE   B C    
1972 O O    . ILE   B 13  ? 0.686302 0.434859 0.454419 -0.0903259  0.0512227   0.0342562   25  ILE   B O    
1973 C CB   . ILE   B 13  ? 0.657677 0.376398 0.3534   -0.0768245  0.0120789   0.0265052   25  ILE   B CB   
1974 C CG1  . ILE   B 13  ? 0.597288 0.348576 0.336014 -0.077104   0.0109883   0.011073    25  ILE   B CG1  
1975 C CG2  . ILE   B 13  ? 0.72489  0.411339 0.364481 -0.0713934  -0.0102567  0.0275182   25  ILE   B CG2  
1976 C CD1  . ILE   B 13  ? 0.602967 0.365785 0.374646 -0.0763815  -0.014012   0.00724193  25  ILE   B CD1  
1977 H H    . ILE   B 13  ? 0.67142  0.400521 0.334065 -0.0720775  0.0553727   0.0136742   25  ILE   B H    
1978 H HA   . ILE   B 13  ? 0.734841 0.426972 0.382029 -0.0793941  0.0455005   0.0459596   25  ILE   B HA   
1979 H HB   . ILE   B 13  ? 0.660504 0.37879  0.3759   -0.0780569  0.00488957  0.0324952   25  ILE   B HB   
1980 H HG12 . ILE   B 13  ? 0.613698 0.361339 0.33244  -0.0749529  0.0147052   0.00520408  25  ILE   B HG12 
1981 H HG13 . ILE   B 13  ? 0.579638 0.349173 0.345987 -0.0794181  0.0245634   0.0092811   25  ILE   B HG13 
1982 H HG21 . ILE   B 13  ? 0.710379 0.400684 0.368163 -0.0709879  -0.0320835  0.0253465   25  ILE   B HG21 
1983 H HG22 . ILE   B 13  ? 0.726593 0.410888 0.347368 -0.069485   -0.00544792 0.0191121   25  ILE   B HG22 
1984 H HG23 . ILE   B 13  ? 0.761648 0.424833 0.365869 -0.0697982  -0.00812851 0.0386221   25  ILE   B HG23 
1985 H HD11 . ILE   B 13  ? 0.59071  0.354328 0.379378 -0.0760929  -0.0184512  0.012573    25  ILE   B HD11 
1986 H HD12 . ILE   B 13  ? 0.561855 0.345547 0.359978 -0.0768568  -0.00978736 -0.00028799 25  ILE   B HD12 
1987 H HD13 . ILE   B 13  ? 0.61703  0.365476 0.367432 -0.0752551  -0.0297832  0.00717809  25  ILE   B HD13 
1988 N N    . THR   B 14  ? 0.618888 0.386025 0.367349 -0.0886214  0.0862655   0.0277241   26  THR   B N    
1989 C CA   . THR   B 14  ? 0.574628 0.369122 0.377754 -0.0973623  0.0988744   0.0261802   26  THR   B CA   
1990 C C    . THR   B 14  ? 0.605945 0.382402 0.406441 -0.107793   0.114471    0.0450639   26  THR   B C    
1991 O O    . THR   B 14  ? 0.616988 0.367155 0.369332 -0.106626   0.127294    0.060324    26  THR   B O    
1992 C CB   . THR   B 14  ? 0.54425  0.372838 0.371773 -0.0949665  0.116208    0.0154144   26  THR   B CB   
1993 O OG1  . THR   B 14  ? 0.600248 0.420487 0.394433 -0.0922841  0.141454    0.024242    26  THR   B OG1  
1994 C CG2  . THR   B 14  ? 0.506726 0.348017 0.336089 -0.0850875  0.102248    5.47e-06    26  THR   B CG2  
1995 H H    . THR   B 14  ? 0.63456  0.399585 0.359649 -0.0837576  0.0940299   0.0246423   26  THR   B H    
1996 H HA   . THR   B 14  ? 0.551122 0.352928 0.379635 -0.0978965  0.0846132   0.0200278   26  THR   B HA   
1997 H HB   . THR   B 14  ? 0.528807 0.376006 0.394889 -0.101454   0.119995    0.0134542   26  THR   B HB   
1999 H HG21 . THR   B 14  ? 0.49825  0.358467 0.341039 -0.0818695  0.112626    -0.00537883 26  THR   B HG21 
2000 H HG22 . THR   B 14  ? 0.528303 0.350266 0.323467 -0.0802891  0.0960079   0.00063647  26  THR   B HG22 
2001 H HG23 . THR   B 14  ? 0.484838 0.333581 0.336248 -0.0864611  0.0890984   -0.00471721 26  THR   B HG23 
2002 N N    . SER   B 15  ? 0.613254 0.401717 0.464873 -0.118488   0.114254    0.0440613   27  SER   B N    
2003 C CA   . SER   B 15  ? 0.672248 0.444934 0.534798 -0.1324     0.130371    0.0620844   27  SER   B CA   
2004 C C    . SER   B 15  ? 0.640104 0.434792 0.514365 -0.139539   0.163666    0.0691184   27  SER   B C    
2005 O O    . SER   B 15  ? 0.688748 0.463557 0.541325 -0.14681    0.186747    0.0912895   27  SER   B O    
2006 C CB   . SER   B 15  ? 0.657084 0.434345 0.574192 -0.14188    0.11706     0.0540025   27  SER   B CB   
2007 O OG   . SER   B 15  ? 0.677973 0.432823 0.582342 -0.132611   0.0911859   0.050622    27  SER   B OG   
2008 H H    . SER   B 15  ? 0.579424 0.384376 0.45885  -0.117339   0.103613    0.0317268   27  SER   B H    
2009 H HA   . SER   B 15  ? 0.695619 0.437619 0.521706 -0.130448   0.127752    0.0756134   27  SER   B HA   
2010 H HB2  . SER   B 15  ? 0.627306 0.433213 0.575212 -0.142091   0.115412    0.0392778   27  SER   B HB2  
2011 H HB3  . SER   B 15  ? 0.684614 0.450789 0.614185 -0.153195   0.127677    0.0656389   27  SER   B HB3  
2013 N N    . LYS   B 16  ? 0.61768  0.454713 0.528565 -0.136437   0.166834    0.0514756   28  LYS   B N    
2014 C CA   . LYS   B 16  ? 0.681804 0.551    0.617926 -0.140013   0.197017    0.0547618   28  LYS   B CA   
2015 C C    . LYS   B 16  ? 0.691886 0.551079 0.56923  -0.125776   0.218509    0.061184    28  LYS   B C    
2016 O O    . LYS   B 16  ? 0.705665 0.586295 0.595259 -0.126479   0.250664    0.0684354   28  LYS   B O    
2017 C CB   . LYS   B 16  ? 0.65786  0.57403  0.648608 -0.136721   0.188128    0.0331417   28  LYS   B CB   
2018 C CG   . LYS   B 16  ? 0.722254 0.657677 0.778966 -0.151932   0.173718    0.0244132   28  LYS   B CG   
2019 C CD   . LYS   B 16  ? 0.775009 0.749691 0.865724 -0.142758   0.157238    0.00169095  28  LYS   B CD   
2020 C CE   . LYS   B 16  ? 0.792413 0.788049 0.944131 -0.155875   0.140702    -0.0107392  28  LYS   B CE   
2021 N NZ   . LYS   B 16  ? 0.780579 0.743958 0.922507 -0.159728   0.117521    -0.0171487  28  LYS   B NZ   
2022 H H    . LYS   B 16  ? 0.595311 0.442423 0.517105 -0.131069   0.149988    0.0376791   28  LYS   B H    
2023 H HA   . LYS   B 16  ? 0.687666 0.555032 0.645655 -0.153327   0.209728    0.0668957   28  LYS   B HA   
2024 H HB2  . LYS   B 16  ? 0.65123  0.564263 0.622784 -0.125685   0.172379    0.0224594   28  LYS   B HB2  
2025 H HB3  . LYS   B 16  ? 0.672671 0.610562 0.673341 -0.13363    0.206897    0.0342972   28  LYS   B HB3  
2026 H HG2  . LYS   B 16  ? 0.735317 0.680363 0.82139  -0.164324   0.189731    0.0337029   28  LYS   B HG2  
2027 H HG3  . LYS   B 16  ? 0.723454 0.634394 0.7703   -0.154782   0.158532    0.0243934   28  LYS   B HG3  
2028 H HD2  . LYS   B 16  ? 0.745826 0.709163 0.808687 -0.132142   0.142732    -0.00558825 28  LYS   B HD2  
2029 H HD3  . LYS   B 16  ? 0.756946 0.753712 0.854025 -0.136766   0.171232    0.00197875  28  LYS   B HD3  
2030 H HE2  . LYS   B 16  ? 0.759576 0.781201 0.927889 -0.148239   0.131787    -0.0233381  28  LYS   B HE2  
2031 H HE3  . LYS   B 16  ? 0.795693 0.801286 0.979746 -0.169125   0.153983    -0.00263755 28  LYS   B HE3  
2032 H HZ1  . LYS   B 16  ? 0.772943 0.728267 0.886508 -0.147927   0.107857    -0.0226684  28  LYS   B HZ1  
2033 H HZ2  . LYS   B 16  ? 0.805825 0.744998 0.937512 -0.167226   0.124237    -0.00499163 28  LYS   B HZ2  
2034 H HZ3  . LYS   B 16  ? 0.77795  0.752703 0.952518 -0.165748   0.10592     -0.0278343  28  LYS   B HZ3  
2035 N N    . LYS   B 17  ? 0.704219 0.532481 0.521157 -0.1124     0.200711    0.0569621   29  LYS   B N    
2036 C CA   . LYS   B 17  ? 0.738982 0.548545 0.490313 -0.0971217  0.214154    0.0579181   29  LYS   B CA   
2037 C C    . LYS   B 17  ? 0.708008 0.553354 0.481165 -0.0857633  0.230798    0.0434939   29  LYS   B C    
2038 O O    . LYS   B 17  ? 0.683163 0.532787 0.435755 -0.078052   0.263529    0.0491984   29  LYS   B O    
2039 C CB   . LYS   B 17  ? 0.830585 0.612492 0.53251  -0.0990208  0.243427    0.0813224   29  LYS   B CB   
2040 C CG   . LYS   B 17  ? 0.874036 0.612294 0.540507 -0.105678   0.226585    0.0984201   29  LYS   B CG   
2041 C CD   . LYS   B 17  ? 0.884637 0.594021 0.507442 -0.0947789  0.187743    0.0877567   29  LYS   B CD   
2042 C CE   . LYS   B 17  ? 1.02121  0.685924 0.600146 -0.0969118  0.1743      0.107739    29  LYS   B CE   
2043 N NZ   . LYS   B 17  ? 1.07387  0.714539 0.615392 -0.0863354  0.135439    0.0984562   29  LYS   B NZ   
2044 H H    . LYS   B 17  ? 0.6855   0.503752 0.502918 -0.112497   0.178369    0.052104    29  LYS   B H    
2045 H HA   . LYS   B 17  ? 0.742827 0.53175  0.462735 -0.090603   0.192646    0.0519159   29  LYS   B HA   
2046 H HB2  . LYS   B 17  ? 0.827256 0.631266 0.56518  -0.107202   0.266672    0.089058    29  LYS   B HB2  
2047 H HB3  . LYS   B 17  ? 0.85716  0.627015 0.512843 -0.0866008  0.251871    0.0782793   29  LYS   B HB3  
2048 H HG2  . LYS   B 17  ? 0.851524 0.598673 0.563176 -0.11763    0.221256    0.10185     29  LYS   B HG2  
2049 H HG3  . LYS   B 17  ? 0.92785  0.64654  0.556207 -0.105479   0.246737    0.1147      29  LYS   B HG3  
2050 H HD2  . LYS   B 17  ? 0.9185   0.620916 0.503174 -0.0837365  0.189397    0.0799721   29  LYS   B HD2  
2051 H HD3  . LYS   B 17  ? 0.850276 0.577037 0.512727 -0.0967586  0.169144    0.0754922   29  LYS   B HD3  
2052 H HE2  . LYS   B 17  ? 0.993385 0.661604 0.610539 -0.106994   0.171313    0.114365    29  LYS   B HE2  
2053 H HE3  . LYS   B 17  ? 1.06115  0.707257 0.59774  -0.0950892  0.19439     0.121847    29  LYS   B HE3  
2054 H HZ1  . LYS   B 17  ? 1.01385  0.670555 0.595325 -0.0885961  0.118606    0.0885579   29  LYS   B HZ1  
2055 H HZ2  . LYS   B 17  ? 1.06966  0.70702  0.58038  -0.0780642  0.135423    0.0894425   29  LYS   B HZ2  
2056 H HZ3  . LYS   B 17  ? 1.09741  0.709877 0.607031 -0.0854583  0.127448    0.111668    29  LYS   B HZ3  
2057 N N    . ASP   B 18  ? 0.626899 0.494922 0.436796 -0.0821876  0.208611    0.0255782   30  ASP   B N    
2058 C CA   . ASP   B 18  ? 0.594573 0.4972   0.434142 -0.0705169  0.217761    0.0121638   30  ASP   B CA   
2059 C C    . ASP   B 18  ? 0.546142 0.426778 0.344116 -0.055003   0.198789    -0.00190068 30  ASP   B C    
2060 O O    . ASP   B 18  ? 0.564504 0.466303 0.385637 -0.0445909  0.196459    -0.0137648  30  ASP   B O    
2061 C CB   . ASP   B 18  ? 0.540243 0.485264 0.455928 -0.0794996  0.207654    0.00536212  30  ASP   B CB   
2062 C CG   . ASP   B 18  ? 0.54506  0.482187 0.469416 -0.0840883  0.173361    -0.00322993 30  ASP   B CG   
2063 O OD1  . ASP   B 18  ? 0.537554 0.44355  0.418256 -0.0791045  0.157132    -0.00482209 30  ASP   B OD1  
2064 O OD2  . ASP   B 18  ? 0.496905 0.458436 0.471816 -0.093058   0.163647    -0.00809032 30  ASP   B OD2  
2065 H H    . ASP   B 18  ? 0.611312 0.472201 0.426864 -0.0860234  0.18722     0.0223676   30  ASP   B H    
2066 H HA   . ASP   B 18  ? 0.61185  0.522022 0.447099 -0.0664927  0.243045    0.0173615   30  ASP   B HA   
2067 H HB2  . ASP   B 18  ? 0.537011 0.505674 0.472715 -0.0703327  0.212374    -0.00245018 30  ASP   B HB2  
2068 H HB3  . ASP   B 18  ? 0.555518 0.511494 0.498387 -0.0910989  0.219478    0.0142176   30  ASP   B HB3  
2069 N N    . ARG   B 19  ? 0.60893  0.446587 0.349248 -0.0543488  0.183103    0.00030015  31  ARG   B N    
2070 C CA   . ARG   B 19  ? 0.614644 0.426276 0.316972 -0.0438539  0.16219     -0.0122997  31  ARG   B CA   
2071 C C    . ARG   B 19  ? 0.59341  0.42549  0.339639 -0.0453534  0.139743    -0.0221878  31  ARG   B C    
2072 O O    . ARG   B 19  ? 0.567198 0.385902 0.297613 -0.0370578  0.127712    -0.0321365  31  ARG   B O    
2073 C CB   . ARG   B 19  ? 0.650108 0.448669 0.312984 -0.0258001  0.181188    -0.0209613  31  ARG   B CB   
2074 C CG   . ARG   B 19  ? 0.719634 0.494837 0.327474 -0.0216956  0.20682     -0.0108361  31  ARG   B CG   
2075 C CD   . ARG   B 19  ? 0.761918 0.503695 0.302397 -0.00196378 0.218269    -0.0218557  31  ARG   B CD   
2076 N NE   . ARG   B 19  ? 0.776211 0.490077 0.292838 0.00643878  0.190605    -0.0404227  31  ARG   B NE   
2077 C CZ   . ARG   B 19  ? 0.845684 0.510099 0.299487 0.00820915  0.164591    -0.0484957  31  ARG   B CZ   
2078 N NH1  . ARG   B 19  ? 0.85373  0.487282 0.253803 0.00322708  0.15557     -0.0393687  31  ARG   B NH1  
2079 N NH2  . ARG   B 19  ? 0.842923 0.487667 0.291445 0.0142028   0.143528    -0.0656753  31  ARG   B NH2  
2080 H H    . ARG   B 19  ? 0.620503 0.443337 0.345495 -0.061273   0.184252    0.0105961   31  ARG   B H    
2081 H HA   . ARG   B 19  ? 0.641124 0.425821 0.310575 -0.0470698  0.149181    -0.00839149 31  ARG   B HA   
2082 H HB2  . ARG   B 19  ? 0.634879 0.461092 0.332308 -0.0206484  0.193324    -0.0246611  31  ARG   B HB2  
2083 H HB3  . ARG   B 19  ? 0.661915 0.438539 0.300101 -0.0207309  0.164682    -0.0298062  31  ARG   B HB3  
2084 H HG2  . ARG   B 19  ? 0.72761  0.482907 0.313269 -0.0296679  0.195083    -0.00277036 31  ARG   B HG2  
2085 H HG3  . ARG   B 19  ? 0.707187 0.508417 0.345226 -0.0246874  0.229331    -0.00297474 31  ARG   B HG3  
2086 H HD2  . ARG   B 19  ? 0.815118 0.530815 0.307137 -0.00196967 0.222813    -0.0147336  31  ARG   B HD2  
2087 H HD3  . ARG   B 19  ? 0.772264 0.53532  0.329853 0.00648331  0.243729    -0.0228057  31  ARG   B HD3  
2088 H HE   . ARG   B 19  ? 0.75112  0.481841 0.299904 0.0101492   0.189522    -0.0469899  31  ARG   B HE   
2089 H HH11 . ARG   B 19  ? 0.855579 0.500856 0.267906 -0.00462442 0.162098    -0.025921   31  ARG   B HH11 
2090 H HH12 . ARG   B 19  ? 0.907929 0.507742 0.259622 0.00804717  0.141617    -0.0468215  31  ARG   B HH12 
2091 H HH21 . ARG   B 19  ? 0.820889 0.481594 0.29894  0.019568    0.149731    -0.0707968  31  ARG   B HH21 
2092 H HH22 . ARG   B 19  ? 0.869548 0.484395 0.285888 0.0124641   0.122557    -0.0714138  31  ARG   B HH22 
2093 N N    . GLY   B 20  ? 0.543819 0.401582 0.339291 -0.0565547  0.132143    -0.0189355  32  GLY   B N    
2094 C CA   . GLY   B 20  ? 0.470092 0.347506 0.301134 -0.0566005  0.114391    -0.0270275  32  GLY   B CA   
2095 C C    . GLY   B 20  ? 0.451958 0.308291 0.266276 -0.0583025  0.0905148   -0.0287425  32  GLY   B C    
2096 O O    . GLY   B 20  ? 0.445836 0.312479 0.277264 -0.055315   0.0799968   -0.0343559  32  GLY   B O    
2097 H H    . GLY   B 20  ? 0.54299  0.403042 0.346358 -0.0639374  0.138784    -0.0113053  32  GLY   B H    
2098 H HA2  . GLY   B 20  ? 0.46801  0.357121 0.307039 -0.0484103  0.119024    -0.0326975  32  GLY   B HA2  
2099 H HA3  . GLY   B 20  ? 0.454458 0.349559 0.31628  -0.0631714  0.114003    -0.025653   32  GLY   B HA3  
2100 N N    . VAL   B 21  ? 0.483617 0.314169 0.270546 -0.0636563  0.0819854   -0.0220061  33  VAL   B N    
2101 C CA   . VAL   B 21  ? 0.504816 0.31922  0.283564 -0.0664922  0.0580702   -0.0220161  33  VAL   B CA   
2102 C C    . VAL   B 21  ? 0.53976  0.316875 0.264096 -0.0651457  0.0520553   -0.0182491  33  VAL   B C    
2103 O O    . VAL   B 21  ? 0.537199 0.301643 0.24099  -0.0672705  0.0589459   -0.00834771 33  VAL   B O    
2104 C CB   . VAL   B 21  ? 0.505962 0.331718 0.316959 -0.0730538  0.0474055   -0.0174273  33  VAL   B CB   
2105 C CG1  . VAL   B 21  ? 0.508935 0.326401 0.321934 -0.0741624  0.0242587   -0.0174508  33  VAL   B CG1  
2106 C CG2  . VAL   B 21  ? 0.44765  0.305933 0.30288  -0.0732107  0.0537236   -0.0230741  33  VAL   B CG2  
2107 H H    . VAL   B 21  ? 0.507483 0.330774 0.281229 -0.0655022  0.0916218   -0.0160348  33  VAL   B H    
2108 H HA   . VAL   B 21  ? 0.490289 0.308134 0.27513  -0.0638815  0.0526005   -0.0275218  33  VAL   B HA   
2109 H HB   . VAL   B 21  ? 0.515493 0.331028 0.316526 -0.0758656  0.0508106   -0.0105888  33  VAL   B HB   
2110 H HG11 . VAL   B 21  ? 0.496246 0.320343 0.316584 -0.072746   0.0222875   -0.022277   33  VAL   B HG11 
2111 H HG12 . VAL   B 21  ? 0.536676 0.332825 0.321862 -0.074398   0.0161068   -0.0144023  33  VAL   B HG12 
2112 H HG13 . VAL   B 21  ? 0.492994 0.319758 0.328886 -0.0757042  0.0194517   -0.0155209  33  VAL   B HG13 
2113 H HG21 . VAL   B 21  ? 0.443326 0.304643 0.314609 -0.0756344  0.0468566   -0.0220543  33  VAL   B HG21 
2114 H HG22 . VAL   B 21  ? 0.453626 0.319739 0.314475 -0.0740356  0.0658804   -0.0228777  33  VAL   B HG22 
2115 H HG23 . VAL   B 21  ? 0.439751 0.306731 0.300716 -0.0694894  0.0518933   -0.0279518  33  VAL   B HG23 
2116 N N    . LEU   B 22  ? 0.578858 0.334315 0.275207 -0.0613836  0.0393045   -0.0259619  34  LEU   B N    
2117 C CA   . LEU   B 22  ? 0.629157 0.344866 0.2673   -0.0590306  0.0266598   -0.0263522  34  LEU   B CA   
2118 C C    . LEU   B 22  ? 0.657063 0.363278 0.304173 -0.0655347  -0.00751951 -0.0283385  34  LEU   B C    
2119 O O    . LEU   B 22  ? 0.586469 0.308348 0.271641 -0.0693867  -0.0152024  -0.0336497  34  LEU   B O    
2120 C CB   . LEU   B 22  ? 0.707272 0.403823 0.308586 -0.0486011  0.0385281   -0.0380234  34  LEU   B CB   
2121 C CG   . LEU   B 22  ? 0.669225 0.3821   0.271778 -0.0394479  0.0735945   -0.0378517  34  LEU   B CG   
2122 C CD1  . LEU   B 22  ? 0.733884 0.426569 0.305719 -0.025787   0.0813778   -0.051757   34  LEU   B CD1  
2123 C CD2  . LEU   B 22  ? 0.731024 0.431886 0.296755 -0.0391814  0.0898572   -0.0257348  34  LEU   B CD2  
2124 H H    . LEU   B 22  ? 0.555808 0.319363 0.268403 -0.0602512  0.0371494   -0.0315314  34  LEU   B H    
2125 H HA   . LEU   B 22  ? 0.662953 0.371207 0.282388 -0.0590847  0.0330928   -0.0181867  34  LEU   B HA   
2126 H HB2  . LEU   B 22  ? 0.671929 0.371029 0.29094  -0.0493807  0.0295572   -0.0446866  34  LEU   B HB2  
2127 H HB3  . LEU   B 22  ? 0.733864 0.400425 0.28992  -0.0458803  0.0294029   -0.0405604  34  LEU   B HB3  
2128 H HG   . LEU   B 22  ? 0.64291  0.385901 0.289977 -0.0424134  0.0801208   -0.0355099  34  LEU   B HG   
2129 H HD11 . LEU   B 22  ? 0.702228 0.399327 0.296865 -0.0266595  0.0712475   -0.0571033  34  LEU   B HD11 
2130 H HD12 . LEU   B 22  ? 0.725507 0.431839 0.301527 -0.0185035  0.104608    -0.0511212  34  LEU   B HD12 
2131 H HD13 . LEU   B 22  ? 0.770719 0.431025 0.295562 -0.0226422  0.0731294   -0.0561186  34  LEU   B HD13 
2132 H HD21 . LEU   B 22  ? 0.703335 0.41607  0.29279  -0.0474161  0.0858745   -0.0165694  34  LEU   B HD21 
2133 H HD22 . LEU   B 22  ? 0.770144 0.439749 0.287919 -0.0359733  0.0799344   -0.027527   34  LEU   B HD22 
2134 H HD23 . LEU   B 22  ? 0.730782 0.44235  0.297134 -0.0335608  0.114141    -0.0249921  34  LEU   B HD23 
2135 N N    . LYS   B 23  ? 0.65491  0.33471  0.265469 -0.0660341  -0.0273666  -0.0234935  35  LYS   B N    
2136 C CA   . LYS   B 23  ? 0.675064 0.353868 0.305788 -0.0722623  -0.0619035  -0.0227248  35  LYS   B CA   
2137 C C    . LYS   B 23  ? 0.771882 0.408358 0.343019 -0.0701322  -0.089768   -0.0291044  35  LYS   B C    
2138 O O    . LYS   B 23  ? 0.826113 0.433117 0.334393 -0.0626228  -0.0852214  -0.0247084  35  LYS   B O    
2139 C CB   . LYS   B 23  ? 0.656855 0.347128 0.309248 -0.0731136  -0.0681349  -0.00861345 35  LYS   B CB   
2140 C CG   . LYS   B 23  ? 0.66235  0.363722 0.353641 -0.0772562  -0.101306   -0.00735818 35  LYS   B CG   
2141 C CD   . LYS   B 23  ? 0.709163 0.41368  0.414797 -0.0736756  -0.11178    0.00604258  35  LYS   B CD   
2142 C CE   . LYS   B 23  ? 0.766565 0.486411 0.51575  -0.0752198  -0.145115   0.00636666  35  LYS   B CE   
2143 N NZ   . LYS   B 23  ? 0.714577 0.433078 0.474794 -0.0677126  -0.156547   0.019524    35  LYS   B NZ   
2144 H H    . LYS   B 23  ? 0.703841 0.366575 0.276147 -0.0617315  -0.0190402  -0.0198801  35  LYS   B H    
2145 H HA   . LYS   B 23  ? 0.643428 0.339761 0.312034 -0.0766464  -0.0654226  -0.0269899  35  LYS   B HA   
2146 H HB2  . LYS   B 23  ? 0.625575 0.337769 0.308747 -0.0738634  -0.0505274  -0.00568984 35  LYS   B HB2  
2147 H HB3  . LYS   B 23  ? 0.700796 0.368919 0.311846 -0.0693119  -0.0672563  -0.00253997 35  LYS   B HB3  
2148 H HG2  . LYS   B 23  ? 0.702674 0.384582 0.369147 -0.0781218  -0.121474   -0.0123869  35  LYS   B HG2  
2149 H HG3  . LYS   B 23  ? 0.629152 0.355226 0.364054 -0.0810734  -0.0973788  -0.0108571  35  LYS   B HG3  
2150 H HD2  . LYS   B 23  ? 0.679357 0.401464 0.412112 -0.0734043  -0.0937577  0.00918314  35  LYS   B HD2  
2151 H HD3  . LYS   B 23  ? 0.753984 0.431923 0.41336  -0.0697641  -0.114283   0.0119311   35  LYS   B HD3  
2152 H HE2  . LYS   B 23  ? 0.768752 0.471933 0.494682 -0.0769238  -0.165928   0.00191711  35  LYS   B HE2  
2153 H HE3  . LYS   B 23  ? 0.694984 0.442215 0.490377 -0.078939   -0.139124   0.00245709  35  LYS   B HE3  
2154 H HZ1  . LYS   B 23  ? 0.773702 0.464826 0.488332 -0.0641866  -0.162116   0.0251469   35  LYS   B HZ1  
2155 H HZ2  . LYS   B 23  ? 0.705428 0.43638  0.486758 -0.066442   -0.138341   0.0221565   35  LYS   B HZ2  
2156 H HZ3  . LYS   B 23  ? 0.728824 0.46032  0.520415 -0.0672676  -0.176557   0.0195958   35  LYS   B HZ3  
2157 N N    . ILE   B 24  ? 0.799507 0.432856 0.391238 -0.0774752  -0.120224   -0.0380376  36  ILE   B N    
2158 C CA   . ILE   B 24  ? 0.850378 0.448345 0.398956 -0.077939   -0.158937   -0.0442493  36  ILE   B CA   
2159 C C    . ILE   B 24  ? 0.830697 0.454026 0.440923 -0.0870091  -0.192533   -0.0387736  36  ILE   B C    
2160 O O    . ILE   B 24  ? 0.727171 0.385252 0.409061 -0.0964644  -0.191111   -0.0387175  36  ILE   B O    
2161 C CB   . ILE   B 24  ? 0.946954 0.509155 0.456931 -0.0785718  -0.169391   -0.0637572  36  ILE   B CB   
2162 C CG1  . ILE   B 24  ? 0.945955 0.486046 0.398226 -0.0654742  -0.133824   -0.0696537  36  ILE   B CG1  
2163 C CG2  . ILE   B 24  ? 1.00558  0.529618 0.469947 -0.0797859  -0.216193   -0.072704   36  ILE   B CG2  
2164 C CD1  . ILE   B 24  ? 1.02569  0.523876 0.435263 -0.0623817  -0.143669   -0.091163   36  ILE   B CD1  
2165 H H    . ILE   B 24  ? 0.753441 0.407106 0.38778  -0.0828011  -0.117431   -0.0400622  36  ILE   B H    
2166 H HA   . ILE   B 24  ? 0.898333 0.477282 0.400572 -0.0707026  -0.157139   -0.0390259  36  ILE   B HA   
2167 H HB   . ILE   B 24  ? 0.895909 0.474536 0.45204  -0.0865969  -0.170459   -0.0670038  36  ILE   B HB   
2168 H HG12 . ILE   B 24  ? 0.990736 0.516561 0.398497 -0.0579867  -0.12831    -0.0641314  36  ILE   B HG12 
2169 H HG13 . ILE   B 24  ? 0.909703 0.476767 0.396867 -0.0653498  -0.10843    -0.0645468  36  ILE   B HG13 
2170 H HG21 . ILE   B 24  ? 1.04152  0.540721 0.485062 -0.0814335  -0.225801   -0.087119   36  ILE   B HG21 
2171 H HG22 . ILE   B 24  ? 1.05042  0.554185 0.461021 -0.0705288  -0.214926   -0.0687546  36  ILE   B HG22 
2172 H HG23 . ILE   B 24  ? 0.990597 0.534484 0.500219 -0.0876845  -0.23855    -0.0680142  36  ILE   B HG23 
2173 H HD11 . ILE   B 24  ? 0.98872  0.498091 0.442497 -0.0707657  -0.14902    -0.0948954  36  ILE   B HD11 
2174 H HD12 . ILE   B 24  ? 1.03238  0.520521 0.409477 -0.0516501  -0.117875   -0.0943868  36  ILE   B HD12 
2175 H HD13 . ILE   B 24  ? 1.07171  0.540045 0.441199 -0.0620058  -0.170326   -0.0983132  36  ILE   B HD13 
2176 N N    . VAL   B 25  ? 0.859063 0.467361 0.442971 -0.0823567  -0.220639   -0.0318971  37  VAL   B N    
2177 C CA   . VAL   B 25  ? 0.898243 0.530735 0.541807 -0.088504   -0.257581   -0.0280721  37  VAL   B CA   
2178 C C    . VAL   B 25  ? 0.956465 0.568435 0.59361  -0.0984873  -0.295482   -0.0447125  37  VAL   B C    
2179 O O    . VAL   B 25  ? 1.04021  0.604716 0.598042 -0.0930301  -0.315294   -0.0542561  37  VAL   B O    
2180 C CB   . VAL   B 25  ? 0.991366 0.615703 0.616353 -0.0783766  -0.280944   -0.0141577  37  VAL   B CB   
2181 C CG1  . VAL   B 25  ? 1.00948  0.657541 0.695812 -0.0831989  -0.326952   -0.0138327  37  VAL   B CG1  
2182 C CG2  . VAL   B 25  ? 0.971116 0.613776 0.614434 -0.0707506  -0.247986   0.00259972  37  VAL   B CG2  
2183 H H    . VAL   B 25  ? 0.91172  0.495379 0.441258 -0.0745561  -0.216544   -0.0286405  37  VAL   B H    
2184 H HA   . VAL   B 25  ? 0.845264 0.512755 0.549702 -0.0930461  -0.244592   -0.0244223  37  VAL   B HA   
2185 H HB   . VAL   B 25  ? 1.04407  0.631112 0.599665 -0.072552   -0.289539   -0.016216   37  VAL   B HB   
2186 H HG11 . VAL   B 25  ? 0.952315 0.636851 0.706142 -0.089718   -0.317458   -0.0133788  37  VAL   B HG11 
2187 H HG12 . VAL   B 25  ? 1.0438   0.672661 0.708687 -0.0878568  -0.353625   -0.0242935  37  VAL   B HG12 
2188 H HG13 . VAL   B 25  ? 1.02148  0.667325 0.701976 -0.0746079  -0.339348   -0.00343294 37  VAL   B HG13 
2189 H HG21 . VAL   B 25  ? 0.993111 0.62519  0.621765 -0.0637759  -0.263977   0.0122281   37  VAL   B HG21 
2190 H HG22 . VAL   B 25  ? 0.9681   0.59734  0.575615 -0.0686673  -0.220866   0.00286557  37  VAL   B HG22 
2191 H HG23 . VAL   B 25  ? 0.911575 0.588671 0.617138 -0.0746486  -0.238576   0.00327788  37  VAL   B HG23 
2192 N N    . LYS   B 26  ? 0.919068 0.565033 0.638109 -0.113157   -0.304218   -0.0477684  38  LYS   B N    
2193 C CA   . LYS   B 26  ? 0.925618 0.553327 0.652386 -0.127044   -0.342418   -0.0630293  38  LYS   B CA   
2194 C C    . LYS   B 26  ? 0.957    0.605426 0.733702 -0.132894   -0.392164   -0.0599593  38  LYS   B C    
2195 O O    . LYS   B 26  ? 1.05551  0.675408 0.810858 -0.140006   -0.436896   -0.0736773  38  LYS   B O    
2196 C CB   . LYS   B 26  ? 0.830185 0.479127 0.615967 -0.141207   -0.318453   -0.0655228  38  LYS   B CB   
2197 C CG   . LYS   B 26  ? 0.841038 0.470482 0.58235  -0.133686   -0.274408   -0.0693258  38  LYS   B CG   
2198 C CD   . LYS   B 26  ? 0.921419 0.48941  0.562779 -0.123782   -0.279075   -0.0858691  38  LYS   B CD   
2199 C CE   . LYS   B 26  ? 0.959584 0.491422 0.593356 -0.135177   -0.300713   -0.104358   38  LYS   B CE   
2200 N NZ   . LYS   B 26  ? 1.05947  0.526468 0.594155 -0.124469   -0.314173   -0.124906   38  LYS   B NZ   
2201 H H    . LYS   B 26  ? 0.857597 0.537527 0.628339 -0.115001   -0.285875   -0.0401121  38  LYS   B H    
2202 H HA   . LYS   B 26  ? 0.979088 0.564488 0.637039 -0.122449   -0.350417   -0.0737391  38  LYS   B HA   
2203 H HB2  . LYS   B 26  ? 0.797009 0.487224 0.64553  -0.144352   -0.308012   -0.0546967  38  LYS   B HB2  
2204 H HB3  . LYS   B 26  ? 0.873417 0.509399 0.670624 -0.152737   -0.34359    -0.0749051  38  LYS   B HB3  
2205 H HG2  . LYS   B 26  ? 0.803083 0.451825 0.547006 -0.125198   -0.249316   -0.0596034  38  LYS   B HG2  
2206 H HG3  . LYS   B 26  ? 0.813905 0.454005 0.593203 -0.142884   -0.265254   -0.0699173  38  LYS   B HG3  
2207 H HD2  . LYS   B 26  ? 0.957443 0.509301 0.560244 -0.117717   -0.298449   -0.0865002  38  LYS   B HD2  
2208 H HD3  . LYS   B 26  ? 0.904146 0.470153 0.520682 -0.114332   -0.24725    -0.0837065  38  LYS   B HD3  
2209 H HE2  . LYS   B 26  ? 0.932179 0.473292 0.592377 -0.138447   -0.277954   -0.1026     38  LYS   B HE2  
2210 H HE3  . LYS   B 26  ? 0.967428 0.509998 0.64316  -0.147804   -0.329786   -0.104732   38  LYS   B HE3  
2211 H HZ1  . LYS   B 26  ? 1.05363  0.512512 0.553391 -0.112669   -0.285376   -0.124651   38  LYS   B HZ1  
2212 H HZ2  . LYS   B 26  ? 1.09114  0.546649 0.594965 -0.120661   -0.336153   -0.126242   38  LYS   B HZ2  
2213 H HZ3  . LYS   B 26  ? 1.0818   0.526961 0.619714 -0.132726   -0.329398   -0.13676    38  LYS   B HZ3  
2214 N N    . ARG   B 27  ? 0.919565 0.619672 0.770813 -0.130298   -0.387166   -0.0439353  39  ARG   B N    
2215 C CA   . ARG   B 27  ? 0.946815 0.672277 0.853023 -0.132347   -0.434063   -0.0399723  39  ARG   B CA   
2216 C C    . ARG   B 27  ? 1.01355  0.758089 0.925739 -0.113052   -0.425885   -0.0226278  39  ARG   B C    
2217 O O    . ARG   B 27  ? 0.88486  0.661479 0.836493 -0.108428   -0.384516   -0.0127756  39  ARG   B O    
2218 C CB   . ARG   B 27  ? 0.895133 0.677531 0.921053 -0.150738   -0.437755   -0.0374655  39  ARG   B CB   
2219 C CG   . ARG   B 27  ? 0.929725 0.74583  1.02853  -0.155107   -0.489141   -0.0349734  39  ARG   B CG   
2220 C CD   . ARG   B 27  ? 0.874675 0.753059 1.09831  -0.174052   -0.481158   -0.0294818  39  ARG   B CD   
2221 N NE   . ARG   B 27  ? 0.824015 0.750595 1.09817  -0.161749   -0.432737   -0.013549   39  ARG   B NE   
2222 C CZ   . ARG   B 27  ? 0.775812 0.757888 1.14574  -0.1722     -0.405294   -0.00487958 39  ARG   B CZ   
2223 N NH1  . ARG   B 27  ? 0.75872  0.752257 1.18287  -0.198237   -0.413512   -0.00789545 39  ARG   B NH1  
2224 N NH2  . ARG   B 27  ? 0.705503 0.729065 1.11556  -0.156305   -0.36915    0.00709914  39  ARG   B NH2  
2225 H H    . ARG   B 27  ? 0.874144 0.594572 0.743885 -0.126204   -0.354743   -0.0360638  39  ARG   B H    
2226 H HA   . ARG   B 27  ? 1.01798  0.711252 0.880753 -0.132985   -0.468854   -0.0491842  39  ARG   B HA   
2227 H HB2  . ARG   B 27  ? 0.907899 0.676209 0.931931 -0.163984   -0.43676    -0.0465232  39  ARG   B HB2  
2228 H HB3  . ARG   B 27  ? 0.848099 0.661203 0.910401 -0.147104   -0.404007   -0.0279936  39  ARG   B HB3  
2229 H HG2  . ARG   B 27  ? 0.921328 0.748986 1.02133  -0.140118   -0.49187    -0.0257034  39  ARG   B HG2  
2230 H HG3  . ARG   B 27  ? 0.980163 0.765518 1.04401  -0.159831   -0.526321   -0.0458644  39  ARG   B HG3  
2231 H HD2  . ARG   B 27  ? 0.89806  0.796765 1.17032  -0.17939    -0.517776   -0.0300075  39  ARG   B HD2  
2232 H HD3  . ARG   B 27  ? 0.880166 0.745656 1.10219  -0.188597   -0.471159   -0.0358105  39  ARG   B HD3  
2233 H HE   . ARG   B 27  ? 0.815457 0.732319 1.05312  -0.14654    -0.420705   -0.00965676 39  ARG   B HE   
2234 H HH11 . ARG   B 27  ? 0.801    0.781351 1.22811  -0.208811   -0.449137   -0.0153317  39  ARG   B HH11 
2235 H HH12 . ARG   B 27  ? 0.735537 0.748545 1.19216  -0.205046   -0.383525   -0.0020729  39  ARG   B HH12 
2236 H HH21 . ARG   B 27  ? 0.708925 0.718605 1.07821  -0.140999   -0.3588     0.00856524  39  ARG   B HH21 
2237 H HH22 . ARG   B 27  ? 0.685    0.748863 1.16203  -0.161057   -0.355025   0.0133317   39  ARG   B HH22 
2238 N N    . VAL   B 28  ? 1.09174  0.811401 0.959465 -0.10086    -0.465775   -0.0192794  40  VAL   B N    
2239 C CA   . VAL   B 28  ? 1.11769  0.838202 0.970667 -0.080745   -0.457052   -0.00161812 40  VAL   B CA   
2240 C C    . VAL   B 28  ? 1.10619  0.888245 1.07105  -0.076922   -0.463652   0.00879549  40  VAL   B C    
2241 O O    . VAL   B 28  ? 1.16162  0.978486 1.20086  -0.0863676  -0.497384   0.00440045  40  VAL   B O    
2242 C CB   . VAL   B 28  ? 1.20515  0.872301 0.963645 -0.0670078  -0.496497   0.0014262   40  VAL   B CB   
2243 C CG1  . VAL   B 28  ? 1.18888  0.86136  0.955645 -0.046872   -0.505207   0.0224988   40  VAL   B CG1  
2244 C CG2  . VAL   B 28  ? 1.24271  0.850969 0.884341 -0.0643613  -0.471295   -0.00442236 40  VAL   B CG2  
2245 H H    . VAL   B 28  ? 1.13984  0.83914  0.984614 -0.104922   -0.50026    -0.0279962  40  VAL   B H    
2246 H HA   . VAL   B 28  ? 1.09291  0.806662 0.922241 -0.0775584  -0.418805   0.00196915  40  VAL   B HA   
2247 H HB   . VAL   B 28  ? 1.23225  0.898397 1.0009   -0.0727763  -0.536397   -0.00724778 40  VAL   B HB   
2248 H HG11 . VAL   B 28  ? 1.15978  0.838935 0.933019 -0.0430654  -0.467752   0.0302552   40  VAL   B HG11 
2249 H HG12 . VAL   B 28  ? 1.18087  0.888141 1.01754  -0.0464287  -0.528614   0.0242579   40  VAL   B HG12 
2250 H HG13 . VAL   B 28  ? 1.26042  0.893277 0.955622 -0.0377175  -0.525141   0.026525    40  VAL   B HG13 
2251 H HG21 . VAL   B 28  ? 1.31018  0.883286 0.886806 -0.0548082  -0.494364   -0.0014928  40  VAL   B HG21 
2252 H HG22 . VAL   B 28  ? 1.24667  0.848587 0.883729 -0.0751774  -0.471003   -0.0188436  40  VAL   B HG22 
2253 H HG23 . VAL   B 28  ? 1.21215  0.823955 0.849195 -0.0607687  -0.432247   0.00345588  40  VAL   B HG23 
2254 N N    . GLY   B 29  ? 1.07534  0.868979 1.05169  -0.0623415  -0.431707   0.0220803   41  GLY   B N    
2255 C CA   . GLY   B 29  ? 1.06593  0.914554 1.14166  -0.0535266  -0.427951   0.0307459   41  GLY   B CA   
2256 C C    . GLY   B 29  ? 1.09384  0.932938 1.16591  -0.0320241  -0.46354    0.0439796   41  GLY   B C    
2257 O O    . GLY   B 29  ? 1.22714  1.01317  1.21059  -0.0240257  -0.4868     0.0491638   41  GLY   B O    
2258 H H    . GLY   B 29  ? 1.09011  0.855394 1.01045  -0.057317   -0.410664   0.0252989   41  GLY   B H    
2259 H HA2  . GLY   B 29  ? 1.03421  0.917523 1.17306  -0.0634181  -0.438484   0.0259175   41  GLY   B HA2  
2260 H HA3  . GLY   B 29  ? 1.01351  0.871881 1.09905  -0.0509954  -0.390386   0.0328965   41  GLY   B HA3  
2261 N N    . ASN   B 30  ? 1.0032   0.893357 1.17083  -0.0207237  -0.464736   0.0503183   42  ASN   B N    
2262 C CA   . ASN   B 30  ? 1.03563  0.927216 1.22354  0.00176064  -0.503154   0.0627267   42  ASN   B CA   
2263 C C    . ASN   B 30  ? 1.02441  0.908479 1.21397  0.0224032   -0.468984   0.0738664   42  ASN   B C    
2264 O O    . ASN   B 30  ? 0.925812 0.831102 1.14528  0.0196932   -0.421076   0.0691438   42  ASN   B O    
2265 C CB   . ASN   B 30  ? 0.959572 0.915281 1.26093  0.0004956   -0.538638   0.0601424   42  ASN   B CB   
2266 H H    . ASN   B 30  ? 0.967037 0.892149 1.18866  -0.0258228  -0.439725   0.0470072   42  ASN   B H    
2267 H HA   . ASN   B 30  ? 1.08269  0.93359  1.20373  0.00441998  -0.530297   0.0656133   42  ASN   B HA   
2270 N N    . GLY   B 31  ? 1.10565  0.953272 1.25663  0.0433988   -0.495969   0.0886699   43  GLY   B N    
2271 C CA   . GLY   B 31  ? 1.1162   0.939174 1.25301  0.0616318   -0.467931   0.100094    43  GLY   B CA   
2272 C C    . GLY   B 31  ? 1.1431   0.903274 1.17248  0.0529106   -0.438044   0.104879    43  GLY   B C    
2273 O O    . GLY   B 31  ? 1.15949  0.90501  1.13555  0.0338446   -0.429313   0.0963616   43  GLY   B O    
2274 H H    . GLY   B 31  ? 1.14649  0.981714 1.27832  0.0464556   -0.534338   0.0919296   43  GLY   B H    
2275 H HA2  . GLY   B 31  ? 1.1521   0.965557 1.29456  0.0789771   -0.495849   0.11083     43  GLY   B HA2  
2276 H HA3  . GLY   B 31  ? 1.06506  0.921849 1.25965  0.0632478   -0.440809   0.094311    43  GLY   B HA3  
2277 N N    . GLU   B 32  ? 1.15923  0.881761 1.16114  0.0678117   -0.42373    0.11928     44  GLU   B N    
2278 C CA   . GLU   B 32  ? 1.13313  0.798966 1.04583  0.0601019   -0.3933     0.127892    44  GLU   B CA   
2279 C C    . GLU   B 32  ? 1.04353  0.725137 0.988072 0.0520675   -0.340656   0.11756     44  GLU   B C    
2280 O O    . GLU   B 32  ? 0.989844 0.643633 0.879186 0.0383429   -0.309508   0.117995    44  GLU   B O    
2281 C CB   . GLU   B 32  ? 1.15604  0.764308 1.01437  0.0789936   -0.416462   0.153273    44  GLU   B CB   
2282 H H    . GLU   B 32  ? 1.15064  0.883676 1.19487  0.0834077   -0.433342   0.124323    44  GLU   B H    
2283 H HA   . GLU   B 32  ? 1.13959  0.793765 1.00463  0.0477158   -0.394451   0.123944    44  GLU   B HA   
2286 N N    . GLU   B 33  ? 1.02211  0.750309 1.05565  0.0614052   -0.331048   0.107323    45  GLU   B N    
2287 C CA   . GLU   B 33  ? 0.95988  0.699592 1.0221   0.0589803   -0.28705    0.0962334   45  GLU   B CA   
2288 C C    . GLU   B 33  ? 0.898673 0.669765 0.963785 0.037422    -0.257645   0.0791244   45  GLU   B C    
2289 O O    . GLU   B 33  ? 0.867731 0.681079 0.970559 0.0308081   -0.266406   0.0704385   45  GLU   B O    
2290 C CB   . GLU   B 33  ? 0.912808 0.687907 1.06059  0.0809513   -0.287092   0.0903907   45  GLU   B CB   
2291 H H    . GLU   B 33  ? 1.01189  0.766339 1.08972  0.0704009   -0.353502   0.106706    45  GLU   B H    
2292 H HA   . GLU   B 33  ? 0.980757 0.681049 1.0022   0.0583674   -0.275782   0.104069    45  GLU   B HA   
2295 N N    . THR   B 34  ? 0.850073 0.598557 0.876543 0.0259322   -0.223843   0.0756816   46  THR   B N    
2296 C CA   . THR   B 34  ? 0.807053 0.583055 0.840002 0.0100321   -0.193071   0.05984     46  THR   B CA   
2297 C C    . THR   B 34  ? 0.742838 0.535993 0.819358 0.0177242   -0.166065   0.0483599   46  THR   B C    
2298 O O    . THR   B 34  ? 0.788926 0.558279 0.872988 0.0313683   -0.167919   0.0529091   46  THR   B O    
2299 C CB   . THR   B 34  ? 0.812277 0.553785 0.77341  -0.00609701 -0.177295   0.0633189   46  THR   B CB   
2300 O OG1  . THR   B 34  ? 0.818744 0.5245   0.76136  -0.00288548 -0.163338   0.071543    46  THR   B OG1  
2301 C CG2  . THR   B 34  ? 0.820764 0.5354   0.724318 -0.00974815 -0.203044   0.0735891   46  THR   B CG2  
2302 H H    . THR   B 34  ? 0.890001 0.604153 0.886102 0.0282059   -0.220683   0.0844887   46  THR   B H    
2303 H HA   . THR   B 34  ? 0.77812  0.582802 0.834207 0.00632472  -0.200993   0.0546114   46  THR   B HA   
2304 H HB   . THR   B 34  ? 0.76834  0.528586 0.735022 -0.0152254  -0.15894    0.0529889   46  THR   B HB   
2306 H HG21 . THR   B 34  ? 0.842052 0.537909 0.701981 -0.0185701  -0.188296   0.0747115   46  THR   B HG21 
2307 H HG22 . THR   B 34  ? 0.871243 0.563675 0.762367 -0.00021241 -0.221144   0.0853578   46  THR   B HG22 
2308 H HG23 . THR   B 34  ? 0.820219 0.557392 0.741939 -0.0122048  -0.21658    0.067183    46  THR   B HG23 
2309 N N    . PRO   B 35  ? 0.693851 0.52495  0.798131 0.0114293   -0.14227    0.0330598   47  PRO   B N    
2310 C CA   . PRO   B 35  ? 0.688658 0.53562  0.82992  0.0228545   -0.120146   0.0201997   47  PRO   B CA   
2311 C C    . PRO   B 35  ? 0.669932 0.478318 0.777362 0.0189596   -0.103485   0.0166141   47  PRO   B C    
2312 O O    . PRO   B 35  ? 0.696554 0.483235 0.758689 0.00230937  -0.0971984  0.0211436   47  PRO   B O    
2313 C CB   . PRO   B 35  ? 0.651742 0.544872 0.819079 0.0163856   -0.100898   0.00852059  47  PRO   B CB   
2314 C CG   . PRO   B 35  ? 0.624147 0.517166 0.760649 -0.00301662 -0.109412   0.0140292   47  PRO   B CG   
2315 C CD   . PRO   B 35  ? 0.652129 0.508965 0.751926 -0.00437505 -0.137904   0.0278507   47  PRO   B CD   
2316 H HA   . PRO   B 35  ? 0.692696 0.546125 0.865963 0.037766    -0.130116   0.0219111   47  PRO   B HA   
2317 H HB2  . PRO   B 35  ? 0.631245 0.523496 0.790755 0.0152844   -0.0816116  -0.00067532 47  PRO   B HB2  
2318 H HB3  . PRO   B 35  ? 0.636979 0.558545 0.847067 0.0261319   -0.102967   0.00713668  47  PRO   B HB3  
2319 H HG2  . PRO   B 35  ? 0.614567 0.500313 0.724373 -0.0120803  -0.0941487  0.00950057  47  PRO   B HG2  
2320 H HG3  . PRO   B 35  ? 0.609965 0.53234  0.776215 -0.00476824 -0.111744   0.0129974   47  PRO   B HG3  
2321 H HD2  . PRO   B 35  ? 0.666643 0.50232  0.723356 -0.0147041  -0.133674   0.02958     47  PRO   B HD2  
2322 H HD3  . PRO   B 35  ? 0.663697 0.533975 0.780922 -0.00382686 -0.157105   0.0314533   47  PRO   B HD3  
2323 N N    . MET   B 36  ? 0.784057 0.584013 0.917354 0.0350628   -0.0976659  0.00836421  48  MET   B N    
2324 C CA   . MET   B 36  ? 0.746927 0.511164 0.860864 0.0315433   -0.0844027  0.00117627  48  MET   B CA   
2325 C C    . MET   B 36  ? 0.705037 0.497446 0.830749 0.0306817   -0.0608171  -0.0215033  48  MET   B C    
2326 O O    . MET   B 36  ? 0.591058 0.426453 0.743847 0.0387527   -0.0526319  -0.029789   48  MET   B O    
2327 C CB   . MET   B 36  ? 0.831543 0.559927 0.961688 0.0506021   -0.0953795  0.00366803  48  MET   B CB   
2328 C CG   . MET   B 36  ? 0.851107 0.541082 0.963237 0.055042    -0.12095    0.0288862   48  MET   B CG   
2329 S SD   . MET   B 36  ? 0.868314 0.511538 0.912805 0.030111    -0.121627   0.051635    48  MET   B SD   
2330 C CE   . MET   B 36  ? 0.960188 0.553352 0.989621 0.0471593   -0.152022   0.0790236   48  MET   B CE   
2331 H H    . MET   B 36  ? 0.743564 0.560814 0.910414 0.0491102   -0.102833   0.00639108  48  MET   B H    
2332 H HA   . MET   B 36  ? 0.769661 0.513698 0.851037 0.0171168   -0.0837006  0.0093904   48  MET   B HA   
2333 H HB2  . MET   B 36  ? 0.807907 0.558872 0.971539 0.0666824   -0.0945067  -0.00511201 48  MET   B HB2  
2334 H HB3  . MET   B 36  ? 0.825962 0.531386 0.94674  0.0463375   -0.0861274  -0.00377454 48  MET   B HB3  
2335 H HG2  . MET   B 36  ? 0.847582 0.560955 0.973882 0.0614267   -0.133923   0.0341169   48  MET   B HG2  
2336 H HG3  . MET   B 36  ? 0.882513 0.549076 1.00798  0.0685579   -0.125812   0.02865     48  MET   B HG3  
2337 H HE1  . MET   B 36  ? 0.984702 0.546333 0.974108 0.0360968   -0.150799   0.0941039   48  MET   B HE1  
2338 H HE2  . MET   B 36  ? 0.952332 0.565773 0.991001 0.0559473   -0.169008   0.0828188   48  MET   B HE2  
2339 H HE3  . MET   B 36  ? 0.972495 0.548791 1.02412  0.0594387   -0.153287   0.0753575   48  MET   B HE3  
2340 N N    . ILE   B 37  ? 0.635729 0.404039 0.739484 0.0193208   -0.0500132  -0.0301281  49  ILE   B N    
2341 C CA   . ILE   B 37  ? 0.618464 0.405973 0.725379 0.0197989   -0.0327949  -0.0525326  49  ILE   B CA   
2342 C C    . ILE   B 37  ? 0.562891 0.361697 0.700012 0.0456996   -0.0284683  -0.0685645  49  ILE   B C    
2343 O O    . ILE   B 37  ? 0.58932  0.359173 0.740747 0.0608889   -0.0371304  -0.0699454  49  ILE   B O    
2344 C CB   . ILE   B 37  ? 0.637125 0.394865 0.724492 0.00431228  -0.0281783  -0.0607935  49  ILE   B CB   
2345 C CG1  . ILE   B 37  ? 0.64908  0.39965  0.710234 -0.0199183  -0.0266571  -0.0443042  49  ILE   B CG1  
2346 C CG2  . ILE   B 37  ? 0.584459 0.361019 0.672112 0.00808762  -0.0164629  -0.0862464  49  ILE   B CG2  
2347 C CD1  . ILE   B 37  ? 0.671248 0.453814 0.718911 -0.0266279  -0.0232646  -0.0353571  49  ILE   B CD1  
2348 H H    . ILE   B 37  ? 0.674419 0.413766 0.761018 0.0110298   -0.0542188  -0.0213623  49  ILE   B H    
2349 H HA   . ILE   B 37  ? 0.57769  0.39255  0.680541 0.0140313   -0.026685   -0.0520862  49  ILE   B HA   
2350 H HB   . ILE   B 37  ? 0.661595 0.388707 0.75398  0.00874909  -0.0345119  -0.0604885  49  ILE   B HB   
2351 H HG12 . ILE   B 37  ? 0.681787 0.405271 0.736827 -0.0223431  -0.0336544  -0.030764   49  ILE   B HG12 
2352 H HG13 . ILE   B 37  ? 0.655896 0.402393 0.714033 -0.0291071  -0.0209613  -0.0529388  49  ILE   B HG13 
2353 H HG21 . ILE   B 37  ? 0.604306 0.365759 0.683718 -0.00335556 -0.0164967  -0.091516   49  ILE   B HG21 
2354 H HG22 . ILE   B 37  ? 0.569262 0.375501 0.653031 0.0066919   -0.00976412 -0.085881   49  ILE   B HG22 
2355 H HG23 . ILE   B 37  ? 0.610771 0.383898 0.70994  0.0239604   -0.0159996  -0.0976281  49  ILE   B HG23 
2356 H HD11 . ILE   B 37  ? 0.630699 0.437964 0.682907 -0.0247471  -0.0157851  -0.0464357  49  ILE   B HD11 
2357 H HD12 . ILE   B 37  ? 0.656946 0.430384 0.686802 -0.0393948  -0.0206864  -0.0270194  49  ILE   B HD12 
2358 H HD13 . ILE   B 37  ? 0.655631 0.442097 0.707684 -0.019716   -0.031429   -0.0268226  49  ILE   B HD13 
2359 N N    . GLY   B 38  ? 0.506643 0.346426 0.651425 0.0522804   -0.0126695  -0.0803261  50  GLY   B N    
2360 C CA   . GLY   B 38  ? 0.553496 0.409523 0.721443 0.0780682   -0.00098298 -0.0966998  50  GLY   B CA   
2361 C C    . GLY   B 38  ? 0.551785 0.450287 0.761449 0.0909961   0.00098484  -0.0848736  50  GLY   B C    
2362 O O    . GLY   B 38  ? 0.571663 0.498095 0.80496  0.111586    0.0178912   -0.0954321  50  GLY   B O    
2363 H H    . GLY   B 38  ? 0.499522 0.356541 0.63297  0.0410634   -0.00766524 -0.077351   50  GLY   B H    
2364 H HA2  . GLY   B 38  ? 0.542298 0.409737 0.696213 0.0782117   0.011517    -0.109147   50  GLY   B HA2  
2365 H HA3  . GLY   B 38  ? 0.577211 0.404561 0.748284 0.0880047   -0.0063463  -0.103925   50  GLY   B HA3  
2366 N N    . ASP   B 39  ? 0.499243 0.402345 0.718763 0.0796492   -0.0164175  -0.0637261  51  ASP   B N    
2367 C CA   . ASP   B 39  ? 0.563008 0.508736 0.829621 0.0879636   -0.0202466  -0.0523077  51  ASP   B CA   
2368 C C    . ASP   B 39  ? 0.506422 0.499428 0.782867 0.0825026   0.00283201  -0.0548512  51  ASP   B C    
2369 O O    . ASP   B 39  ? 0.471628 0.461173 0.71128  0.0652135   0.0111917   -0.0567565  51  ASP   B O    
2370 C CB   . ASP   B 39  ? 0.528328 0.464222 0.794425 0.0752716   -0.0487994  -0.0314284  51  ASP   B CB   
2371 C CG   . ASP   B 39  ? 0.5815   0.476402 0.846356 0.0859683   -0.0733639  -0.0222052  51  ASP   B CG   
2372 O OD1  . ASP   B 39  ? 0.6147   0.48944  0.891628 0.106361    -0.0694164  -0.0321538  51  ASP   B OD1  
2373 O OD2  . ASP   B 39  ? 0.561358 0.438639 0.806899 0.0746722   -0.0970858  -0.00490723 51  ASP   B OD2  
2374 H H    . ASP   B 39  ? 0.527363 0.407184 0.724701 0.066417    -0.0267053  -0.0563271  51  ASP   B H    
2375 H HA   . ASP   B 39  ? 0.55218  0.501131 0.846104 0.107523    -0.0193639  -0.0568836  51  ASP   B HA   
2376 H HB2  . ASP   B 39  ? 0.52995  0.453984 0.762913 0.0577007   -0.0495186  -0.0282432  51  ASP   B HB2  
2377 H HB3  . ASP   B 39  ? 0.526598 0.49545  0.824571 0.0764159   -0.0517655  -0.0254672  51  ASP   B HB3  
2378 N N    . LYS   B 40  ? 0.534963 0.572673 0.863719 0.0986109   0.0150697   -0.0537766  52  LYS   B N    
2379 C CA   . LYS   B 40  ? 0.514061 0.598734 0.862134 0.0905315   0.0356126   -0.0481742  52  LYS   B CA   
2380 C C    . LYS   B 40  ? 0.463139 0.559849 0.828889 0.0680553   0.012536    -0.0294352  52  LYS   B C    
2381 O O    . LYS   B 40  ? 0.497769 0.600033 0.900466 0.0722942   -0.0116856  -0.0205323  52  LYS   B O    
2382 C CB   . LYS   B 40  ? 0.576697 0.707034 0.978946 0.115208    0.0609306   -0.051913   52  LYS   B CB   
2383 C CG   . LYS   B 40  ? 0.568221 0.75324  1.00597  0.107832    0.0860771   -0.0407782  52  LYS   B CG   
2384 H H    . LYS   B 40  ? 0.544098 0.583047 0.899462 0.115319    0.0114462   -0.0556096  52  LYS   B H    
2385 H HA   . LYS   B 40  ? 0.511283 0.587105 0.822477 0.083343    0.0478367   -0.0541506  52  LYS   B HA   
2386 H HB2  . LYS   B 40  ? 0.583764 0.700514 0.963611 0.12942     0.075402    -0.0662614  52  LYS   B HB2  
2387 H HB3  . LYS   B 40  ? 0.572706 0.709364 1.01221  0.125539    0.0475532   -0.0480692  52  LYS   B HB3  
2390 N N    . VAL   B 41  ? 0.457694 0.555157 0.794616 0.0457502   0.0177283   -0.0246795  53  VAL   B N    
2391 C CA   . VAL   B 41  ? 0.42577  0.521108 0.763967 0.0236771   -0.00615172 -0.0115204  53  VAL   B CA   
2392 C C    . VAL   B 41  ? 0.406024 0.541463 0.777811 0.0110772   0.00864317  -0.00282983 53  VAL   B C    
2393 O O    . VAL   B 41  ? 0.412424 0.559206 0.770099 0.0118391   0.0384672   -0.00558904 53  VAL   B O    
2394 C CB   . VAL   B 41  ? 0.477091 0.527353 0.747361 0.00793132  -0.0156256  -0.0134748  53  VAL   B CB   
2395 C CG1  . VAL   B 41  ? 0.430992 0.476518 0.692806 -0.0131581  -0.0350492  -0.00346979 53  VAL   B CG1  
2396 C CG2  . VAL   B 41  ? 0.483282 0.493094 0.726954 0.0160859   -0.031072   -0.0167726  53  VAL   B CG2  
2397 H H    . VAL   B 41  ? 0.447123 0.544352 0.761107 0.0455082   0.0358085   -0.0305886  53  VAL   B H    
2398 H HA   . VAL   B 41  ? 0.446523 0.543157 0.809276 0.0276139   -0.0259221  -0.00663315 53  VAL   B HA   
2399 H HB   . VAL   B 41  ? 0.449591 0.498794 0.697619 0.00697112  0.0025733   -0.0195101  53  VAL   B HB   
2400 H HG11 . VAL   B 41  ? 0.450819 0.5057   0.742073 -0.0122587  -0.0528818  0.00225035  53  VAL   B HG11 
2401 H HG12 . VAL   B 41  ? 0.431721 0.493183 0.699403 -0.0207481  -0.0227937  -0.00197368 53  VAL   B HG12 
2402 H HG13 . VAL   B 41  ? 0.449726 0.465623 0.670419 -0.0194264  -0.0422969  -0.00446227 53  VAL   B HG13 
2403 H HG21 . VAL   B 41  ? 0.488703 0.473851 0.693912 0.00536249  -0.0349477  -0.0163038  53  VAL   B HG21 
2404 H HG22 . VAL   B 41  ? 0.492965 0.500456 0.737878 0.0283347   -0.0189471  -0.0255071  53  VAL   B HG22 
2405 H HG23 . VAL   B 41  ? 0.498491 0.508422 0.76259  0.0200567   -0.0492202  -0.0102099  53  VAL   B HG23 
2406 N N    . TYR   B 42  ? 0.409272 0.562961 0.82405  -0.00091759 -0.0143844  0.00827998  54  TYR   B N    
2407 C CA   . TYR   B 42  ? 0.415877 0.608307 0.877423 -0.0158287  -0.00363548 0.0187155   54  TYR   B CA   
2408 C C    . TYR   B 42  ? 0.348256 0.515345 0.78497  -0.0415954  -0.0302546  0.023453    54  TYR   B C    
2409 O O    . TYR   B 42  ? 0.364649 0.514654 0.799475 -0.0447464  -0.0662505  0.0237843   54  TYR   B O    
2410 C CB   . TYR   B 42  ? 0.479163 0.724459 1.03354  -0.00915597 -0.0088863  0.0268284   54  TYR   B CB   
2411 C CG   . TYR   B 42  ? 0.559347 0.830965 1.14655  0.0211329   0.0143875   0.0209893   54  TYR   B CG   
2412 C CD1  . TYR   B 42  ? 0.597045 0.843969 1.17109  0.0416153   -0.00389188 0.0126519   54  TYR   B CD1  
2413 C CD2  . TYR   B 42  ? 0.57834  0.894722 1.20501  0.030704    0.0559359   0.024002    54  TYR   B CD2  
2414 C CE1  . TYR   B 42  ? 0.675034 0.939538 1.27771  0.0716536   0.0155546   0.00492281  54  TYR   B CE1  
2415 C CE2  . TYR   B 42  ? 0.66372  1.00073  1.31491  0.0619663   0.0786215   0.0157338   54  TYR   B CE2  
2416 C CZ   . TYR   B 42  ? 0.723772 1.03357  1.36376  0.0829715   0.0571764   0.00472344  54  TYR   B CZ   
2417 O OH   . TYR   B 42  ? 0.847979 1.16988  1.50924  0.11605     0.076702    -0.00599714 54  TYR   B OH   
2418 H H    . TYR   B 42  ? 0.420754 0.561103 0.835853 -0.00050243 -0.0385148  0.00976937  54  TYR   B H    
2419 H HA   . TYR   B 42  ? 0.403926 0.603592 0.85326  -0.0143498  0.0238271   0.0178712   54  TYR   B HA   
2420 H HB2  . TYR   B 42  ? 0.484293 0.722261 1.04979  -0.0128039  -0.0399985  0.0286382   54  TYR   B HB2  
2421 H HB3  . TYR   B 42  ? 0.473695 0.744137 1.05936  -0.0214558  0.00193998  0.0346893   54  TYR   B HB3  
2422 H HD1  . TYR   B 42  ? 0.611556 0.827371 1.15628  0.0356658   -0.0297724  0.0126775   54  TYR   B HD1  
2423 H HD2  . TYR   B 42  ? 0.583991 0.915151 1.21912  0.0165739   0.06998     0.0320254   54  TYR   B HD2  
2424 H HE1  . TYR   B 42  ? 0.682207 0.925133 1.27542  0.0852339   0.00198561  -0.00020499 54  TYR   B HE1  
2425 H HE2  . TYR   B 42  ? 0.659522 1.02674  1.33351  0.0696457   0.109201    0.0178803   54  TYR   B HE2  
2427 N N    . VAL   B 43  ? 0.388846 0.548573 0.800578 -0.0574528  -0.0136835  0.0265211   55  VAL   B N    
2428 C CA   . VAL   B 43  ? 0.386483 0.513283 0.765398 -0.0787788  -0.0376685  0.0274346   55  VAL   B CA   
2429 C C    . VAL   B 43  ? 0.388376 0.532011 0.79954  -0.0986855  -0.0267096  0.0377518   55  VAL   B C    
2430 O O    . VAL   B 43  ? 0.346007 0.519178 0.783097 -0.0955862  0.00716923  0.0453799   55  VAL   B O    
2431 C CB   . VAL   B 43  ? 0.413289 0.492002 0.708242 -0.0787223  -0.0355086  0.0189157   55  VAL   B CB   
2432 C CG1  . VAL   B 43  ? 0.402391 0.458216 0.66339  -0.0636851  -0.0451781  0.0111973   55  VAL   B CG1  
2433 C CG2  . VAL   B 43  ? 0.40743  0.488812 0.678445 -0.0763283  -0.00057786 0.0190678   55  VAL   B CG2  
2434 H H    . VAL   B 43  ? 0.369969 0.542909 0.782687 -0.0535925  0.0122854   0.0278532   55  VAL   B H    
2435 H HA   . VAL   B 43  ? 0.403109 0.526401 0.795424 -0.0812266  -0.064679   0.0273671   55  VAL   B HA   
2436 H HB   . VAL   B 43  ? 0.417255 0.475901 0.695292 -0.0909522  -0.0521757  0.0190474   55  VAL   B HB   
2437 H HG11 . VAL   B 43  ? 0.40033  0.471826 0.676975 -0.0510809  -0.0307867  0.00921652  55  VAL   B HG11 
2438 H HG12 . VAL   B 43  ? 0.418956 0.469572 0.689228 -0.0646154  -0.0687286  0.0128188   55  VAL   B HG12 
2439 H HG13 . VAL   B 43  ? 0.408799 0.438449 0.623429 -0.0654888  -0.0422777  0.00697329  55  VAL   B HG13 
2440 H HG21 . VAL   B 43  ? 0.405656 0.461534 0.630669 -0.0744408  -0.00013832 0.0130893   55  VAL   B HG21 
2441 H HG22 . VAL   B 43  ? 0.408535 0.494886 0.691916 -0.0877022  0.00372357  0.0256756   55  VAL   B HG22 
2442 H HG23 . VAL   B 43  ? 0.400349 0.502936 0.689028 -0.0646503  0.0165465   0.018682    55  VAL   B HG23 
2443 N N    . HIS   B 44  ? 0.421371 0.541291 0.826069 -0.118585   -0.0556647  0.0379067   56  HIS   B N    
2444 C CA   . HIS   B 44  ? 0.49556  0.605277 0.9008   -0.138895   -0.0473493  0.0447424   56  HIS   B CA   
2445 C C    . HIS   B 44  ? 0.440955 0.494676 0.762578 -0.140963   -0.0551276  0.035061    56  HIS   B C    
2446 O O    . HIS   B 44  ? 0.502876 0.529038 0.783848 -0.135461   -0.0787689  0.0248852   56  HIS   B O    
2447 C CB   . HIS   B 44  ? 0.568559 0.695309 1.04272  -0.161913   -0.0738894  0.0513168   56  HIS   B CB   
2448 C CG   . HIS   B 44  ? 0.60013  0.786176 1.16387  -0.166117   -0.0500853  0.0667514   56  HIS   B CG   
2449 N ND1  . HIS   B 44  ? 0.60787  0.810951 1.179    -0.166427   -0.0052835  0.079942    56  HIS   B ND1  
2450 C CD2  . HIS   B 44  ? 0.607095 0.841968 1.25803  -0.168299   -0.0634588  0.0721205   56  HIS   B CD2  
2451 C CE1  . HIS   B 44  ? 0.581295 0.842137 1.23877  -0.167993   0.0121538   0.0929756   56  HIS   B CE1  
2452 N NE2  . HIS   B 44  ? 0.549847 0.833466 1.26169  -0.168927   -0.0227927  0.0879443   56  HIS   B NE2  
2453 H H    . HIS   B 44  ? 0.440461 0.547072 0.837759 -0.118961   -0.082039   0.0334306   56  HIS   B H    
2454 H HA   . HIS   B 44  ? 0.468507 0.595889 0.883158 -0.135242   -0.0178479  0.0515409   56  HIS   B HA   
2455 H HB2  . HIS   B 44  ? 0.572133 0.695277 1.05101  -0.160411   -0.102954   0.0452823   56  HIS   B HB2  
2456 H HB3  . HIS   B 44  ? 0.578864 0.678701 1.03283  -0.175745   -0.0795963  0.0510514   56  HIS   B HB3  
2458 H HD2  . HIS   B 44  ? 0.598768 0.835487 1.26485  -0.167042   -0.0939042  0.0664837   56  HIS   B HD2  
2459 H HE1  . HIS   B 44  ? 0.580173 0.862383 1.2572   -0.168309   0.044083    0.104781    56  HIS   B HE1  
2461 N N    . TYR   B 45  ? 0.436175 0.473361 0.73198  -0.146909   -0.0339776  0.0394885   57  TYR   B N    
2462 C CA   . TYR   B 45  ? 0.416885 0.406139 0.639459 -0.145128   -0.0369116  0.0305349   57  TYR   B CA   
2463 C C    . TYR   B 45  ? 0.440704 0.407631 0.657909 -0.159528   -0.0295224  0.0376679   57  TYR   B C    
2464 O O    . TYR   B 45  ? 0.460056 0.449705 0.718053 -0.167238   -0.00923549 0.0527221   57  TYR   B O    
2465 C CB   . TYR   B 45  ? 0.397107 0.385332 0.57417  -0.124896   -0.0130697  0.0255951   57  TYR   B CB   
2466 C CG   . TYR   B 45  ? 0.38432  0.388183 0.560049 -0.11865    0.0210439   0.0345857   57  TYR   B CG   
2467 C CD1  . TYR   B 45  ? 0.376372 0.420093 0.587792 -0.10973    0.0431384   0.0411531   57  TYR   B CD1  
2468 C CD2  . TYR   B 45  ? 0.406964 0.384143 0.540818 -0.118346   0.0311265   0.0361242   57  TYR   B CD2  
2469 C CE1  . TYR   B 45  ? 0.390641 0.445029 0.588929 -0.101435   0.0742244   0.0490837   57  TYR   B CE1  
2470 C CE2  . TYR   B 45  ? 0.398739 0.386907 0.525715 -0.111555   0.058808    0.0462912   57  TYR   B CE2  
2471 C CZ   . TYR   B 45  ? 0.360098 0.386046 0.514847 -0.102981   0.0806006   0.0525974   57  TYR   B CZ   
2472 O OH   . TYR   B 45  ? 0.418602 0.452225 0.555915 -0.0941104  0.108092    0.0625273   57  TYR   B OH   
2473 H H    . TYR   B 45  ? 0.42946  0.486425 0.755241 -0.151243   -0.0162451  0.0493228   57  TYR   B H    
2474 H HA   . TYR   B 45  ? 0.43699  0.405908 0.640897 -0.146982   -0.0605852  0.0224525   57  TYR   B HA   
2475 H HB2  . TYR   B 45  ? 0.403531 0.36347  0.538056 -0.12303    -0.019803   0.0183617   57  TYR   B HB2  
2476 H HB3  . TYR   B 45  ? 0.385211 0.388297 0.572414 -0.116321   -0.0152707  0.022608    57  TYR   B HB3  
2477 H HD1  . TYR   B 45  ? 0.370797 0.433577 0.61262  -0.107226   0.0369334   0.0397247   57  TYR   B HD1  
2478 H HD2  . TYR   B 45  ? 0.412799 0.362726 0.523146 -0.122693   0.0181645   0.031084    57  TYR   B HD2  
2479 H HE1  . TYR   B 45  ? 0.374914 0.455277 0.594062 -0.0941275  0.0906587   0.0528412   57  TYR   B HE1  
2480 H HE2  . TYR   B 45  ? 0.405433 0.374239 0.504189 -0.110193   0.063107    0.048137    57  TYR   B HE2  
2482 N N    . LYS   B 46  ? 0.462787 0.382655 0.62559  -0.160868   -0.0429213  0.0275833   58  LYS   B N    
2483 C CA   . LYS   B 46  ? 0.472569 0.360409 0.610216 -0.165928   -0.0329117  0.0314846   58  LYS   B CA   
2484 C C    . LYS   B 46  ? 0.471533 0.333047 0.541688 -0.147846   -0.0244885  0.0210773   58  LYS   B C    
2485 O O    . LYS   B 46  ? 0.498997 0.345985 0.534863 -0.140268   -0.0378793  0.00775142  58  LYS   B O    
2486 C CB   . LYS   B 46  ? 0.496928 0.351235 0.645175 -0.18617    -0.0634767  0.0264145   58  LYS   B CB   
2487 C CG   . LYS   B 46  ? 0.504109 0.386478 0.729662 -0.207618   -0.0737409  0.0373844   58  LYS   B CG   
2488 C CD   . LYS   B 46  ? 0.553882 0.39543  0.786226 -0.229394   -0.109166   0.0288883   58  LYS   B CD   
2489 C CE   . LYS   B 46  ? 0.574513 0.445987 0.893617 -0.254277   -0.124433   0.0388419   58  LYS   B CE   
2490 N NZ   . LYS   B 46  ? 0.60892  0.436257 0.928501 -0.274732   -0.166626   0.0251325   58  LYS   B NZ   
2491 H H    . LYS   B 46  ? 0.465278 0.370939 0.604075 -0.157068   -0.0588776  0.0178839   58  LYS   B H    
2492 H HA   . LYS   B 46  ? 0.468245 0.373939 0.628703 -0.167668   -0.0131033  0.0440928   58  LYS   B HA   
2493 H HB2  . LYS   B 46  ? 0.510073 0.348258 0.632598 -0.182864   -0.0830554  0.0139026   58  LYS   B HB2  
2494 H HB3  . LYS   B 46  ? 0.520364 0.345794 0.64652  -0.188047   -0.058874   0.0270998   58  LYS   B HB3  
2495 H HG2  . LYS   B 46  ? 0.49883  0.398234 0.749473 -0.210843   -0.0509442  0.051682    58  LYS   B HG2  
2496 H HG3  . LYS   B 46  ? 0.487217 0.398197 0.736674 -0.2042     -0.0804632  0.0360639   58  LYS   B HG3  
2497 H HD2  . LYS   B 46  ? 0.568188 0.389951 0.766558 -0.223998   -0.130854   0.0141938   58  LYS   B HD2  
2498 H HD3  . LYS   B 46  ? 0.576037 0.386265 0.784734 -0.231629   -0.101793   0.0301423   58  LYS   B HD3  
2499 H HE2  . LYS   B 46  ? 0.563001 0.44952  0.913774 -0.261377   -0.101426   0.0546768   58  LYS   B HE2  
2500 H HE3  . LYS   B 46  ? 0.546605 0.453128 0.893969 -0.249937   -0.129631   0.03905     58  LYS   B HE3  
2501 H HZ1  . LYS   B 46  ? 0.636542 0.429673 0.933246 -0.278778   -0.161556   0.0250322   58  LYS   B HZ1  
2502 H HZ2  . LYS   B 46  ? 0.623893 0.434717 0.907355 -0.26688    -0.187311   0.0105738   58  LYS   B HZ2  
2503 H HZ3  . LYS   B 46  ? 0.618488 0.467968 0.997165 -0.29092    -0.177823   0.0310454   58  LYS   B HZ3  
2504 N N    . GLY   B 47  ? 0.493032 0.351397 0.545097 -0.139592   -0.00101247 0.0285887   59  GLY   B N    
2505 C CA   . GLY   B 47  ? 0.466938 0.308243 0.466431 -0.122      0.00625883  0.0192622   59  GLY   B CA   
2506 C C    . GLY   B 47  ? 0.502797 0.309955 0.47798  -0.119981   0.0122694   0.023706    59  GLY   B C    
2507 O O    . GLY   B 47  ? 0.52462  0.327326 0.522537 -0.130221   0.0195291   0.0391321   59  GLY   B O    
2508 H H    . GLY   B 47  ? 0.484942 0.352799 0.558585 -0.144609   0.0106106   0.0404586   59  GLY   B H    
2509 H HA2  . GLY   B 47  ? 0.477239 0.306109 0.457855 -0.120045   -0.00624415 0.00831206  59  GLY   B HA2  
2510 H HA3  . GLY   B 47  ? 0.452724 0.31705  0.45167  -0.112278   0.0195889   0.0209576   59  GLY   B HA3  
2511 N N    . LYS   B 48  ? 0.468699 0.252802 0.400706 -0.105874   0.0114468   0.0121454   60  LYS   B N    
2512 C CA   . LYS   B 48  ? 0.526945 0.281691 0.436475 -0.0978041  0.0185919   0.0166175   60  LYS   B CA   
2513 C C    . LYS   B 48  ? 0.511612 0.26739  0.387167 -0.0761221  0.0256788   0.00642005  60  LYS   B C    
2514 O O    . LYS   B 48  ? 0.512413 0.280204 0.378098 -0.0714909  0.022916    -0.00574099 60  LYS   B O    
2515 C CB   . LYS   B 48  ? 0.627611 0.332678 0.531313 -0.10945    0.0022817   0.0129109   60  LYS   B CB   
2516 C CG   . LYS   B 48  ? 0.681799 0.35694  0.551206 -0.104842   -0.0138925  -0.00841091 60  LYS   B CG   
2517 C CD   . LYS   B 48  ? 0.885742 0.501811 0.736791 -0.109049   -0.0269488  -0.0148058  60  LYS   B CD   
2518 C CE   . LYS   B 48  ? 1.05564  0.63295  0.856251 -0.0949009  -0.0352592  -0.0372345  60  LYS   B CE   
2519 N NZ   . LYS   B 48  ? 1.05077  0.652431 0.826571 -0.0725811  -0.0181804  -0.0435054  60  LYS   B NZ   
2520 H H    . LYS   B 48  ? 0.476586 0.263464 0.394729 -0.100658   0.00718605  0.00244204  60  LYS   B H    
2521 H HA   . LYS   B 48  ? 0.526052 0.292677 0.448373 -0.0982733  0.0300353   0.029969    60  LYS   B HA   
2522 H HB2  . LYS   B 48  ? 0.64294  0.328821 0.537164 -0.104335   0.00864139  0.0193639   60  LYS   B HB2  
2523 H HB3  . LYS   B 48  ? 0.625105 0.334064 0.557708 -0.125442   -0.00412062 0.0190163   60  LYS   B HB3  
2524 H HG2  . LYS   B 48  ? 0.694629 0.379717 0.573587 -0.113383   -0.0248308  -0.0129025  60  LYS   B HG2  
2525 H HG3  . LYS   B 48  ? 0.693502 0.375903 0.541713 -0.0897859  -0.00526396 -0.014021   60  LYS   B HG3  
2526 H HD2  . LYS   B 48  ? 0.878244 0.48591  0.730793 -0.104326   -0.0168425  -0.00499007 60  LYS   B HD2  
2527 H HD3  . LYS   B 48  ? 0.885235 0.493696 0.758243 -0.12651    -0.04022    -0.0128122  60  LYS   B HD3  
2528 H HE2  . LYS   B 48  ? 1.06148  0.603263 0.849833 -0.0914977  -0.0369489  -0.0393287  60  LYS   B HE2  
2529 H HE3  . LYS   B 48  ? 1.0408   0.607937 0.836514 -0.104133   -0.051529   -0.0462775  60  LYS   B HE3  
2530 H HZ1  . LYS   B 48  ? 1.0234   0.640871 0.807988 -0.0647283  -0.00557984 -0.0350523  60  LYS   B HZ1  
2531 H HZ2  . LYS   B 48  ? 1.01543  0.641216 0.796622 -0.075922   -0.0190354  -0.0441548  60  LYS   B HZ2  
2532 H HZ3  . LYS   B 48  ? 1.07072  0.646898 0.817397 -0.0630004  -0.0195129  -0.0551901  60  LYS   B HZ3  
2533 N N    . LEU   B 49  ? 0.528402 0.26988  0.388804 -0.0633361  0.0340695   0.0128862   61  LEU   B N    
2534 C CA   . LEU   B 49  ? 0.55812  0.299978 0.394566 -0.0419545  0.0388476   0.00389808  61  LEU   B CA   
2535 C C    . LEU   B 49  ? 0.61651  0.317243 0.429513 -0.0385633  0.0303343   -0.0103798  61  LEU   B C    
2536 O O    . LEU   B 49  ? 0.639402 0.300405 0.449502 -0.0483879  0.0210821   -0.00873488 61  LEU   B O    
2537 C CB   . LEU   B 49  ? 0.578804 0.317212 0.40799  -0.0275542  0.0468924   0.0171965   61  LEU   B CB   
2538 C CG   . LEU   B 49  ? 0.587538 0.360357 0.426485 -0.0266493  0.0564563   0.0309941   61  LEU   B CG   
2539 C CD1  . LEU   B 49  ? 0.627556 0.391217 0.448277 -0.00927086 0.0610805   0.0441628   61  LEU   B CD1  
2540 C CD2  . LEU   B 49  ? 0.554972 0.368644 0.400527 -0.0225725  0.0572414   0.0181629   61  LEU   B CD2  
2541 H H    . LEU   B 49  ? 0.550716 0.282442 0.418371 -0.0679896  0.0368842   0.0245139   61  LEU   B H    
2542 H HA   . LEU   B 49  ? 0.530819 0.299785 0.370483 -0.038581   0.0416336   -0.00172402 61  LEU   B HA   
2543 H HB2  . LEU   B 49  ? 0.614028 0.321582 0.44005  -0.0316807  0.0444013   0.0238213   61  LEU   B HB2  
2544 H HB3  . LEU   B 49  ? 0.585211 0.325199 0.403304 -0.0126342  0.04786     0.010267    61  LEU   B HB3  
2545 H HG   . LEU   B 49  ? 0.587608 0.360305 0.440512 -0.0404165  0.0584607   0.0394167   61  LEU   B HG   
2546 H HD11 . LEU   B 49  ? 0.653235 0.386375 0.470232 -0.0128487  0.060754    0.0534656   61  LEU   B HD11 
2547 H HD12 . LEU   B 49  ? 0.617012 0.400785 0.437524 -0.00783961 0.0671297   0.0520512   61  LEU   B HD12 
2548 H HD13 . LEU   B 49  ? 0.621735 0.388906 0.434196 0.00485053  0.0579391   0.0358045   61  LEU   B HD13 
2549 H HD21 . LEU   B 49  ? 0.538086 0.357778 0.395752 -0.0342288  0.0550638   0.014456    61  LEU   B HD21 
2550 H HD22 . LEU   B 49  ? 0.549634 0.363496 0.388365 -0.0134775  0.0548848   0.00859259  61  LEU   B HD22 
2551 H HD23 . LEU   B 49  ? 0.546133 0.378812 0.390931 -0.0170939  0.0620447   0.0233433   61  LEU   B HD23 
2552 N N    . SER   B 50  ? 0.645609 0.353287 0.441906 -0.0230284  0.0352698   -0.0234447  62  SER   B N    
2553 C CA   . SER   B 50  ? 0.723509 0.389627 0.49056  -0.012432   0.0328104   -0.0370675  62  SER   B CA   
2554 C C    . SER   B 50  ? 0.754012 0.383709 0.512616 0.00014725  0.0328833   -0.0323339  62  SER   B C    
2555 O O    . SER   B 50  ? 0.792728 0.374363 0.528428 0.00289787  0.0261196   -0.0429189  62  SER   B O    
2556 C CB   . SER   B 50  ? 0.725137 0.410041 0.480287 0.00297126  0.0439453   -0.0490405  62  SER   B CB   
2557 O OG   . SER   B 50  ? 0.856519 0.552231 0.607838 -0.010941   0.0400054   -0.0536022  62  SER   B OG   
2558 H H    . SER   B 50  ? 0.617743 0.355156 0.421188 -0.0187846  0.0409892   -0.0242772  62  SER   B H    
2559 H HA   . SER   B 50  ? 0.734831 0.379499 0.493933 -0.0241877  0.0228103   -0.0421123  62  SER   B HA   
2560 H HB2  . SER   B 50  ? 0.72831  0.443311 0.49882  0.0109123   0.0513818   -0.044592   62  SER   B HB2  
2561 H HB3  . SER   B 50  ? 0.785286 0.444077 0.520643 0.0140308   0.0458465   -0.0575686  62  SER   B HB3  
2563 N N    . ASN   B 51  ? 0.754419 0.399498 0.526511 0.00847733  0.0384751   -0.0166041  63  ASN   B N    
2564 C CA   . ASN   B 51  ? 0.794588 0.399344 0.555778 0.0223913   0.0374145   -0.009395   63  ASN   B CA   
2565 C C    . ASN   B 51  ? 0.831617 0.390636 0.594938 0.00134622  0.02812     0.00117309  63  ASN   B C    
2566 O O    . ASN   B 51  ? 0.873457 0.387375 0.62712  0.00885335  0.0257418   0.0086027   63  ASN   B O    
2567 C CB   . ASN   B 51  ? 0.776003 0.408438 0.544312 0.0408273   0.0435987   0.00491891  63  ASN   B CB   
2568 C CG   . ASN   B 51  ? 0.77709  0.432831 0.557628 0.0266744   0.0458953   0.0247657   63  ASN   B CG   
2569 O OD1  . ASN   B 51  ? 0.721831 0.374467 0.513494 0.0024915   0.0447299   0.0294137   63  ASN   B OD1  
2570 N ND2  . ASN   B 51  ? 0.776102 0.457416 0.554865 0.0425134   0.0488583   0.0358023   63  ASN   B ND2  
2571 H H    . ASN   B 51  ? 0.719609 0.397968 0.504963 0.00657575  0.0422577   -0.0103796  63  ASN   B H    
2572 H HA   . ASN   B 51  ? 0.816933 0.402329 0.563481 0.0351114   0.0378174   -0.0218333  63  ASN   B HA   
2573 H HB2  . ASN   B 51  ? 0.816985 0.4202   0.575785 0.0534695   0.042162    0.00884239  63  ASN   B HB2  
2574 H HB3  . ASN   B 51  ? 0.759194 0.422641 0.532409 0.0514038   0.0473968   -0.00300501 63  ASN   B HB3  
2575 H HD21 . ASN   B 51  ? 0.768191 0.46132  0.548453 0.0364597   0.0517265   0.0470775   63  ASN   B HD21 
2576 H HD22 . ASN   B 51  ? 0.778444 0.465262 0.554086 0.0597544   0.0475082   0.0315347   63  ASN   B HD22 
2577 N N    . GLY   B 52  ? 0.81804  0.390128 0.599282 -0.0251003  0.0224917   0.00309153  64  GLY   B N    
2578 C CA   . GLY   B 52  ? 0.850269 0.388959 0.647029 -0.0501456  0.012402    0.0122691   64  GLY   B CA   
2579 C C    . GLY   B 52  ? 0.913795 0.453107 0.728565 -0.0564685  0.0225164   0.041312    64  GLY   B C    
2580 O O    . GLY   B 52  ? 0.884872 0.391133 0.716281 -0.0766211  0.0175444   0.0533944   64  GLY   B O    
2581 H H    . GLY   B 52  ? 0.782414 0.387647 0.570389 -0.0277587  0.0247396   -0.0009853  64  GLY   B H    
2582 H HA2  . GLY   B 52  ? 0.841352 0.397635 0.652229 -0.0652275  0.00691411  0.00856323  64  GLY   B HA2  
2583 H HA3  . GLY   B 52  ? 0.901335 0.396927 0.683    -0.0486878  0.00364111  0.00289734  64  GLY   B HA3  
2584 N N    . LYS   B 53  ? 0.851441 0.427109 0.661944 -0.039875   0.036673    0.0535585   65  LYS   B N    
2585 C CA   . LYS   B 53  ? 0.856393 0.424363 0.66826  -0.0397211  0.0476466   0.0819562   65  LYS   B CA   
2586 C C    . LYS   B 53  ? 0.830099 0.440764 0.66974  -0.059073   0.0590173   0.0965887   65  LYS   B C    
2587 O O    . LYS   B 53  ? 0.813304 0.417225 0.656948 -0.0648358  0.0716349   0.122582    65  LYS   B O    
2588 C CB   . LYS   B 53  ? 0.841421 0.410707 0.625354 -0.00792186 0.0520187   0.0872692   65  LYS   B CB   
2589 H H    . LYS   B 53  ? 0.825472 0.429789 0.630905 -0.0290253  0.0390347   0.0445175   65  LYS   B H    
2590 H HA   . LYS   B 53  ? 0.895375 0.421927 0.708927 -0.0483744  0.0433512   0.0882764   65  LYS   B HA   
2593 N N    . LYS   B 54  ? 0.745808 0.397438 0.604306 -0.0681777  0.0562202   0.0816865   66  LYS   B N    
2594 C CA   . LYS   B 54  ? 0.714296 0.410243 0.600888 -0.0811237  0.068293    0.0928623   66  LYS   B CA   
2595 C C    . LYS   B 54  ? 0.73786  0.452823 0.655437 -0.0992481  0.05651     0.0778146   66  LYS   B C    
2596 O O    . LYS   B 54  ? 0.668687 0.383807 0.57295  -0.0929644  0.043692    0.0559002   66  LYS   B O    
2597 C CB   . LYS   B 54  ? 0.671935 0.413199 0.543751 -0.0625358  0.079837    0.0916111   66  LYS   B CB   
2598 H H    . LYS   B 54  ? 0.743337 0.394053 0.596017 -0.0648337  0.0472829   0.0643687   66  LYS   B H    
2599 H HA   . LYS   B 54  ? 0.746482 0.431963 0.644109 -0.0907325  0.0766772   0.111514    66  LYS   B HA   
2602 N N    . PHE   B 55  ? 0.683702 0.417037 0.642822 -0.119957   0.0627144   0.0920305   67  PHE   B N    
2603 C CA   . PHE   B 55  ? 0.670084 0.423871 0.669104 -0.13855    0.0495086   0.0827508   67  PHE   B CA   
2604 C C    . PHE   B 55  ? 0.627682 0.432884 0.666727 -0.144499   0.068037    0.0969967   67  PHE   B C    
2605 O O    . PHE   B 55  ? 0.638742 0.449273 0.690811 -0.149015   0.0895725   0.120628    67  PHE   B O    
2606 C CB   . PHE   B 55  ? 0.682951 0.401464 0.71153  -0.163959   0.0327622   0.0859824   67  PHE   B CB   
2607 C CG   . PHE   B 55  ? 0.821658 0.479748 0.810157 -0.158061   0.0164845   0.0728519   67  PHE   B CG   
2608 C CD1  . PHE   B 55  ? 0.915036 0.535475 0.87883  -0.149041   0.0270973   0.0863265   67  PHE   B CD1  
2609 C CD2  . PHE   B 55  ? 0.905458 0.540701 0.878791 -0.160163   -0.00956053 0.0475424   67  PHE   B CD2  
2610 C CE1  . PHE   B 55  ? 1.00699  0.570191 0.936066 -0.140391   0.0128041   0.0726952   67  PHE   B CE1  
2611 C CE2  . PHE   B 55  ? 1.02063  0.597331 0.954481 -0.152495   -0.0223898  0.0333297   67  PHE   B CE2  
2612 C CZ   . PHE   B 55  ? 1.05474  0.596406 0.968887 -0.141804   -0.0107079  0.0450168   67  PHE   B CZ   
2613 H H    . PHE   B 55  ? 0.712265 0.446639 0.676335 -0.121854   0.0764088   0.109713    67  PHE   B H    
2614 H HA   . PHE   B 55  ? 0.64188  0.39948  0.626724 -0.131614   0.0387167   0.0656262   67  PHE   B HA   
2615 H HB2  . PHE   B 55  ? 0.724902 0.445157 0.775804 -0.173729   0.0454063   0.105107    67  PHE   B HB2  
2616 H HB3  . PHE   B 55  ? 0.697675 0.430536 0.750714 -0.174417   0.019601    0.0775746   67  PHE   B HB3  
2617 H HD1  . PHE   B 55  ? 0.912435 0.545731 0.880127 -0.146456   0.0445138   0.10463     67  PHE   B HD1  
2618 H HD2  . PHE   B 55  ? 0.879336 0.536864 0.867192 -0.165755   -0.0185435  0.0400289   67  PHE   B HD2  
2619 H HE1  . PHE   B 55  ? 1.02866  0.565663 0.942111 -0.132387   0.0192965   0.0823953   67  PHE   B HE1  
2620 H HE2  . PHE   B 55  ? 1.01264  0.572918 0.929928 -0.15211    -0.0384824  0.0155286   67  PHE   B HE2  
2621 H HZ   . PHE   B 55  ? 1.07563  0.577108 0.963821 -0.1342     -0.0187654  0.0344458   67  PHE   B HZ   
2622 N N    . ASP   B 56  ? 0.544754 0.384862 0.602983 -0.143879   0.060979    0.0840081   68  ASP   B N    
2623 C CA   . ASP   B 56  ? 0.570205 0.459691 0.666419 -0.144712   0.0790087   0.093942    68  ASP   B CA   
2624 C C    . ASP   B 56  ? 0.566989 0.478407 0.710698 -0.157868   0.0593922   0.0845248   68  ASP   B C    
2625 O O    . ASP   B 56  ? 0.61725  0.51509  0.742219 -0.154885   0.0359224   0.0656099   68  ASP   B O    
2626 C CB   . ASP   B 56  ? 0.55848  0.470564 0.619707 -0.120149   0.0923516   0.0859306   68  ASP   B CB   
2627 C CG   . ASP   B 56  ? 0.56422  0.524138 0.655769 -0.114704   0.107858    0.0874196   68  ASP   B CG   
2628 O OD1  . ASP   B 56  ? 0.555345 0.537587 0.686732 -0.123928   0.126467    0.105615    68  ASP   B OD1  
2629 O OD2  . ASP   B 56  ? 0.528108 0.501117 0.603214 -0.10042    0.103025    0.070723    68  ASP   B OD2  
2630 H H    . ASP   B 56  ? 0.558148 0.389761 0.604212 -0.141626   0.0453209   0.0688847   68  ASP   B H    
2631 H HA   . ASP   B 56  ? 0.583656 0.476251 0.697336 -0.151931   0.0942636   0.1116      68  ASP   B HA   
2632 H HB2  . ASP   B 56  ? 0.576135 0.478324 0.610777 -0.111685   0.104364    0.0939722   68  ASP   B HB2  
2633 H HB3  . ASP   B 56  ? 0.547898 0.450525 0.588816 -0.114077   0.0784233   0.0706127   68  ASP   B HB3  
2634 N N    . SER   B 57  ? 0.572496 0.523242 0.774642 -0.16781    0.0720794   0.0982036   69  SER   B N    
2635 C CA   . SER   B 57  ? 0.617924 0.594543 0.873703 -0.178732   0.051288    0.0911026   69  SER   B CA   
2636 C C    . SER   B 57  ? 0.576216 0.610339 0.882929 -0.172991   0.075349    0.101482    69  SER   B C    
2637 O O    . SER   B 57  ? 0.712686 0.76515  1.03821  -0.17497    0.107013    0.121589    69  SER   B O    
2638 C CB   . SER   B 57  ? 0.689906 0.647066 0.986778 -0.206299   0.0279907   0.0951197   69  SER   B CB   
2639 O OG   . SER   B 57  ? 0.764459 0.757538 1.12691  -0.217236   0.00901182  0.0924551   69  SER   B OG   
2640 H H    . SER   B 57  ? 0.590568 0.553238 0.799817 -0.166796   0.0942926   0.112773    69  SER   B H    
2641 H HA   . SER   B 57  ? 0.593235 0.561704 0.824115 -0.170293   0.0351808   0.0755884   69  SER   B HA   
2642 H HB2  . SER   B 57  ? 0.709221 0.629154 0.971026 -0.207106   0.00900661  0.0835686   69  SER   B HB2  
2643 H HB3  . SER   B 57  ? 0.715513 0.67059  1.0291   -0.215752   0.043963    0.111156    69  SER   B HB3  
2645 N N    . SER   B 58  ? 0.495836 0.555835 0.825017 -0.165397   0.0602268   0.0886874   70  SER   B N    
2646 C CA   . SER   B 58  ? 0.511958 0.627161 0.898309 -0.158083   0.0796609   0.0959109   70  SER   B CA   
2647 C C    . SER   B 58  ? 0.57908  0.72426  1.05235  -0.182341   0.0789763   0.112882    70  SER   B C    
2648 O O    . SER   B 58  ? 0.626642 0.815106 1.14743  -0.180835   0.112267    0.129522    70  SER   B O    
2649 C CB   . SER   B 58  ? 0.471826 0.601957 0.863598 -0.14341    0.0611734   0.0795642   70  SER   B CB   
2650 O OG   . SER   B 58  ? 0.49185  0.610625 0.909352 -0.159305   0.0207873   0.0732866   70  SER   B OG   
2651 H H    . SER   B 58  ? 0.511761 0.553681 0.819466 -0.163516   0.0382041   0.0757305   70  SER   B H    
2652 H HA   . SER   B 58  ? 0.514072 0.638151 0.881688 -0.14654    0.107508    0.101947    70  SER   B HA   
2653 H HB2  . SER   B 58  ? 0.472229 0.637942 0.900695 -0.135613   0.076455    0.0838447   70  SER   B HB2  
2654 H HB3  . SER   B 58  ? 0.472004 0.582317 0.812962 -0.130696   0.0606155   0.0692283   70  SER   B HB3  
2656 N N    . HIS   B 59  ? 0.559635 0.683114 1.05466  -0.203909   0.0402067   0.107232    71  HIS   B N    
2657 C CA   . HIS   B 59  ? 0.633019 0.785163 1.21983  -0.230286   0.0286797   0.119427    71  HIS   B CA   
2658 C C    . HIS   B 59  ? 0.666328 0.822346 1.27987  -0.2471     0.0639257   0.145382    71  HIS   B C    
2659 O O    . HIS   B 59  ? 0.674378 0.875849 1.37693  -0.26389    0.0762137   0.16298     71  HIS   B O    
2660 C CB   . HIS   B 59  ? 0.603772 0.718901 1.19057  -0.249279   -0.0243396  0.104351    71  HIS   B CB   
2661 H H    . HIS   B 59  ? 0.581652 0.671397 1.03306  -0.202058   0.0197094   0.0946889   71  HIS   B H    
2662 H HA   . HIS   B 59  ? 0.597822 0.792574 1.23124  -0.223604   0.0328105   0.120895    71  HIS   B HA   
2665 N N    . ASP   B 60  ? 0.704426 0.814858 1.24328  -0.241378   0.0814104   0.149533    72  ASP   B N    
2666 C CA   . ASP   B 60  ? 0.783438 0.889544 1.32725  -0.251049   0.119268    0.177011    72  ASP   B CA   
2667 C C    . ASP   B 60  ? 0.797662 0.96527  1.38144  -0.239236   0.166217    0.195683    72  ASP   B C    
2668 O O    . ASP   B 60  ? 0.95307  1.1417   1.59052  -0.256941   0.194521    0.222862    72  ASP   B O    
2669 C CB   . ASP   B 60  ? 0.756724 0.805076 1.20575  -0.23856    0.126451    0.175902    72  ASP   B CB   
2670 H H    . ASP   B 60  ? 0.703416 0.783448 1.18586  -0.230604   0.068514    0.135419    72  ASP   B H    
2671 H HA   . ASP   B 60  ? 0.789557 0.888706 1.37711  -0.275053   0.108361    0.185359    72  ASP   B HA   
2674 N N    . ARG   B 61  ? 0.806146 1.00008  1.36354  -0.209361   0.175743    0.181206    73  ARG   B N    
2675 C CA   . ARG   B 61  ? 0.752394 1.00222  1.33986  -0.191991   0.219124    0.192625    73  ARG   B CA   
2676 C C    . ARG   B 61  ? 0.662368 0.973128 1.35316  -0.197868   0.211172    0.191742    73  ARG   B C    
2677 O O    . ARG   B 61  ? 0.629227 0.992261 1.36002  -0.183794   0.248248    0.201425    73  ARG   B O    
2678 C CB   . ARG   B 61  ? 0.727933 0.970132 1.23544  -0.155888   0.229475    0.173779    73  ARG   B CB   
2679 H H    . ARG   B 61  ? 0.767182 0.941219 1.28464  -0.198869   0.154819    0.162936    73  ARG   B H    
2680 H HA   . ARG   B 61  ? 0.774429 1.02724  1.36709  -0.19873    0.248209    0.213688    73  ARG   B HA   
2683 N N    . ASN   B 62  ? 0.636058 0.939167 1.36479  -0.214904   0.16155     0.178277    74  ASN   B N    
2684 C CA   . ASN   B 62  ? 0.600362 0.95721  1.43249  -0.223905   0.141773    0.177391    74  ASN   B CA   
2685 C C    . ASN   B 62  ? 0.58249  0.970418 1.41507  -0.191381   0.138674    0.159772    74  ASN   B C    
2686 O O    . ASN   B 62  ? 0.490141 0.918575 1.40158  -0.19361    0.114805    0.156096    74  ASN   B O    
2687 C CB   . ASN   B 62  ? 0.597474 1.00635  1.53331  -0.24733    0.172133    0.206623    74  ASN   B CB   
2688 H H    . ASN   B 62  ? 0.637948 0.898933 1.32277  -0.219778   0.137269    0.168378    74  ASN   B H    
2689 H HA   . ASN   B 62  ? 0.603393 0.936556 1.43897  -0.238491   0.102975    0.167986    74  ASN   B HA   
2692 N N    . GLU   B 63  ? 0.584292 0.94861  1.32955  -0.161648   0.155517    0.146985    75  GLU   B N    
2693 C CA   . GLU   B 63  ? 0.521342 0.914923 1.2707   -0.129729   0.163613    0.133602    75  GLU   B CA   
2694 C C    . GLU   B 63  ? 0.494845 0.836402 1.15544  -0.113938   0.135281    0.109554    75  GLU   B C    
2695 O O    . GLU   B 63  ? 0.440276 0.732736 1.02213  -0.117294   0.133515    0.105556    75  GLU   B O    
2696 C CB   . GLU   B 63  ? 0.544845 0.970111 1.28677  -0.105877   0.220986    0.141989    75  GLU   B CB   
2697 H H    . GLU   B 63  ? 0.578261 0.905892 1.26168  -0.161446   0.160029    0.145896    75  GLU   B H    
2698 H HA   . GLU   B 63  ? 0.521199 0.946809 1.33729  -0.132872   0.147624    0.133653    75  GLU   B HA   
2701 N N    . PRO   B 64  ? 0.481018 0.83066  1.15503  -0.0972021  0.110719    0.0943248   76  PRO   B N    
2702 C CA   . PRO   B 64  ? 0.434149 0.732637 1.02894  -0.0865119  0.083578    0.0748683   76  PRO   B CA   
2703 C C    . PRO   B 64  ? 0.453505 0.724431 0.966446 -0.06991    0.112002    0.0675868   76  PRO   B C    
2704 O O    . PRO   B 64  ? 0.468351 0.763732 0.984118 -0.0564806  0.151579    0.0730949   76  PRO   B O    
2705 C CB   . PRO   B 64  ? 0.427669 0.746683 1.05891  -0.0667955  0.0650226   0.0652163   76  PRO   B CB   
2706 C CG   . PRO   B 64  ? 0.438704 0.819311 1.17991  -0.0745149  0.0664329   0.0790901   76  PRO   B CG   
2707 C CD   . PRO   B 64  ? 0.467996 0.874641 1.23137  -0.0854895  0.110816    0.0964445   76  PRO   B CD   
2708 H HA   . PRO   B 64  ? 0.446481 0.717863 1.02421  -0.102285   0.0582873   0.0735264   76  PRO   B HA   
2709 H HB2  . PRO   B 64  ? 0.430155 0.750775 1.04074  -0.0466466  0.0839416   0.0585477   76  PRO   B HB2  
2710 H HB3  . PRO   B 64  ? 0.429153 0.721067 1.0374   -0.0698726  0.033766    0.0579518   76  PRO   B HB3  
2711 H HG2  . PRO   B 64  ? 0.439269 0.845463 1.21236  -0.0558116  0.0708347   0.0757553   76  PRO   B HG2  
2712 H HG3  . PRO   B 64  ? 0.442458 0.81911  1.20731  -0.0907103  0.0346853   0.0805728   76  PRO   B HG3  
2713 H HD2  . PRO   B 64  ? 0.468601 0.897262 1.23574  -0.067223   0.142801    0.0971792   76  PRO   B HD2  
2714 H HD3  . PRO   B 64  ? 0.467778 0.901969 1.29516  -0.102648   0.105542    0.107761    76  PRO   B HD3  
2715 N N    . PHE   B 65  ? 0.458065 0.679244 0.898618 -0.070257   0.0912119   0.0549888   77  PHE   B N    
2716 C CA   . PHE   B 65  ? 0.465781 0.661268 0.833712 -0.053394   0.107964    0.0437868   77  PHE   B CA   
2717 C C    . PHE   B 65  ? 0.406702 0.597826 0.769056 -0.0332993  0.0957785   0.0276711   77  PHE   B C    
2718 O O    . PHE   B 65  ? 0.411922 0.592336 0.788138 -0.0379256  0.0637693   0.0245047   77  PHE   B O    
2719 C CB   . PHE   B 65  ? 0.475712 0.626323 0.782676 -0.0667409  0.0946507   0.0419033   77  PHE   B CB   
2720 C CG   . PHE   B 65  ? 0.461319 0.58616  0.698946 -0.0519519  0.10383     0.029363    77  PHE   B CG   
2721 C CD1  . PHE   B 65  ? 0.480361 0.581209 0.687737 -0.0449863  0.0842991   0.0139049   77  PHE   B CD1  
2722 C CD2  . PHE   B 65  ? 0.521895 0.645676 0.725243 -0.0459056  0.130377    0.034248    77  PHE   B CD2  
2723 C CE1  . PHE   B 65  ? 0.430654 0.512034 0.585259 -0.0341233  0.0907586   0.00210849  77  PHE   B CE1  
2724 C CE2  . PHE   B 65  ? 0.540017 0.642033 0.683448 -0.0329231  0.132897    0.0213703   77  PHE   B CE2  
2725 C CZ   . PHE   B 65  ? 0.492664 0.575939 0.616959 -0.0279167  0.112694    0.00439694  77  PHE   B CZ   
2726 H H    . PHE   B 65  ? 0.455513 0.65899  0.893134 -0.0814416  0.0652142   0.0530401   77  PHE   B H    
2727 H HA   . PHE   B 65  ? 0.464692 0.676912 0.832998 -0.0460837  0.13613     0.0490011   77  PHE   B HA   
2728 H HB2  . PHE   B 65  ? 0.477764 0.630838 0.792586 -0.0779525  0.103966    0.053236    77  PHE   B HB2  
2729 H HB3  . PHE   B 65  ? 0.465649 0.600766 0.772932 -0.0746723  0.0690953   0.0381065   77  PHE   B HB3  
2730 H HD1  . PHE   B 65  ? 0.457223 0.555827 0.682037 -0.0476359  0.0664418   0.0120535   77  PHE   B HD1  
2731 H HD2  . PHE   B 65  ? 0.522843 0.660351 0.744256 -0.0512801  0.145656    0.0472945   77  PHE   B HD2  
2732 H HE1  . PHE   B 65  ? 0.450718 0.516619 0.589892 -0.0313885  0.078636    -0.00703388 77  PHE   B HE1  
2733 H HE2  . PHE   B 65  ? 0.543077 0.644179 0.66118  -0.0274388  0.148346    0.02479     77  PHE   B HE2  
2734 H HZ   . PHE   B 65  ? 0.492347 0.563118 0.582534 -0.0208002  0.11308     -0.00466878 77  PHE   B HZ   
2735 N N    . VAL   B 66  ? 0.430124 0.62968  0.775535 -0.0103869  0.121513    0.0187519   78  VAL   B N    
2736 C CA   . VAL   B 66  ? 0.430629 0.624761 0.777911 0.0102991   0.112915    0.00360502  78  VAL   B CA   
2737 C C    . VAL   B 66  ? 0.437523 0.596539 0.713764 0.0211305   0.118356    -0.0130189  78  VAL   B C    
2738 O O    . VAL   B 66  ? 0.477743 0.635407 0.716799 0.0243553   0.140576    -0.0138871  78  VAL   B O    
2739 C CB   . VAL   B 66  ? 0.469694 0.705958 0.874766 0.0317533   0.133519    0.00341581  78  VAL   B CB   
2740 C CG1  . VAL   B 66  ? 0.449713 0.721496 0.937265 0.0228729   0.116267    0.0165682   78  VAL   B CG1  
2741 C CG2  . VAL   B 66  ? 0.446654 0.706657 0.841987 0.0422465   0.177413    0.00705283  78  VAL   B CG2  
2742 H H    . VAL   B 66  ? 0.436062 0.641518 0.765611 -0.00707899 0.143984    0.0218545   78  VAL   B H    
2743 H HA   . VAL   B 66  ? 0.428511 0.610177 0.783344 0.00363865  0.0874139   0.00342088  78  VAL   B HA   
2744 H HB   . VAL   B 66  ? 0.461392 0.683172 0.853324 0.0469429   0.128176    -0.00909921 78  VAL   B HB   
2745 H HG11 . VAL   B 66  ? 0.448089 0.733258 0.953207 0.00625427  0.120225    0.0285141   78  VAL   B HG11 
2746 H HG12 . VAL   B 66  ? 0.447698 0.699604 0.930792 0.0183486   0.0873618   0.0137533   78  VAL   B HG12 
2747 H HG13 . VAL   B 66  ? 0.460132 0.760492 0.987569 0.0387518   0.129557    0.0158318   78  VAL   B HG13 
2748 H HG21 . VAL   B 66  ? 0.467619 0.756383 0.901478 0.0568364   0.192939    0.0070589   78  VAL   B HG21 
2749 H HG22 . VAL   B 66  ? 0.469744 0.70612  0.811986 0.0506899   0.183536    -0.00395277 78  VAL   B HG22 
2750 H HG23 . VAL   B 66  ? 0.455083 0.724302 0.85812  0.0266326   0.183989    0.0206563   78  VAL   B HG23 
2751 N N    . PHE   B 67  ? 0.454708 0.582543 0.71126  0.0242882   0.0946135   -0.0246007  79  PHE   B N    
2752 C CA   . PHE   B 67  ? 0.422803 0.518281 0.623661 0.0321377   0.0954165   -0.0415522  79  PHE   B CA   
2753 C C    . PHE   B 67  ? 0.450059 0.521311 0.65643  0.0407526   0.0754796   -0.051312   79  PHE   B C    
2754 O O    . PHE   B 67  ? 0.420642 0.496816 0.664415 0.0397594   0.058457    -0.0429669  79  PHE   B O    
2755 C CB   . PHE   B 67  ? 0.428278 0.500963 0.583977 0.0141577   0.0874556   -0.0391451  79  PHE   B CB   
2756 C CG   . PHE   B 67  ? 0.400756 0.449471 0.552483 -0.00187385 0.0599903   -0.034246   79  PHE   B CG   
2757 C CD1  . PHE   B 67  ? 0.399429 0.456297 0.577032 -0.0157804  0.0472215   -0.0203874  79  PHE   B CD1  
2758 C CD2  . PHE   B 67  ? 0.362284 0.37879  0.48238  -0.00348847 0.0473052   -0.0435428  79  PHE   B CD2  
2759 C CE1  . PHE   B 67  ? 0.361414 0.392548 0.524391 -0.0273536  0.0226697   -0.0173922  79  PHE   B CE1  
2760 C CE2  . PHE   B 67  ? 0.34544  0.339387 0.456207 -0.0163164  0.0268369   -0.0369322  79  PHE   B CE2  
2761 C CZ   . PHE   B 67  ? 0.375376 0.375204 0.501854 -0.0267226  0.0148942   -0.0247058  79  PHE   B CZ   
2762 H H    . PHE   B 67  ? 0.435398 0.561773 0.714632 0.0209139   0.0769608   -0.0212213  79  PHE   B H    
2763 H HA   . PHE   B 67  ? 0.451801 0.556611 0.64328  0.045033    0.114844    -0.0480089  79  PHE   B HA   
2764 H HB2  . PHE   B 67  ? 0.430253 0.489464 0.554433 0.02006     0.0911808   -0.0501166  79  PHE   B HB2  
2765 H HB3  . PHE   B 67  ? 0.418367 0.504723 0.576687 0.00811961  0.0976569   -0.0298747  79  PHE   B HB3  
2766 H HD1  . PHE   B 67  ? 0.385714 0.465231 0.590728 -0.0172602  0.055232    -0.0131435  79  PHE   B HD1  
2767 H HD2  . PHE   B 67  ? 0.376977 0.386425 0.482247 0.00429058  0.0529054   -0.0542482  79  PHE   B HD2  
2768 H HE1  . PHE   B 67  ? 0.371156 0.405538 0.548319 -0.0361733  0.0116589   -0.0100386  79  PHE   B HE1  
2769 H HE2  . PHE   B 67  ? 0.362648 0.336366 0.454195 -0.0180781  0.0216185   -0.0411927  79  PHE   B HE2  
2770 H HZ   . PHE   B 67  ? 0.370401 0.352543 0.483443 -0.0338033  0.00120334  -0.0212177  79  PHE   B HZ   
2771 N N    . SER   B 68  ? 0.476834 0.521827 0.647813 0.0509381   0.0775294   -0.0691541  80  SER   B N    
2772 C CA   . SER   B 68  ? 0.488581 0.502948 0.661571 0.058764    0.0609268   -0.0783906  80  SER   B CA   
2773 C C    . SER   B 68  ? 0.432127 0.413206 0.571945 0.0385952   0.0426099   -0.0759133  80  SER   B C    
2774 O O    . SER   B 68  ? 0.444341 0.418487 0.550241 0.0303032   0.0472443   -0.0822314  80  SER   B O    
2775 C CB   . SER   B 68  ? 0.527672 0.529111 0.688123 0.0811089   0.0722303   -0.100527   80  SER   B CB   
2776 O OG   . SER   B 68  ? 0.595575 0.630025 0.788544 0.102787    0.0931206   -0.101916   80  SER   B OG   
2777 H H    . SER   B 68  ? 0.479035 0.523365 0.623827 0.0526853   0.0883787   -0.0755159  80  SER   B H    
2778 H HA   . SER   B 68  ? 0.478367 0.500902 0.683672 0.0619279   0.0529934   -0.0703343  80  SER   B HA   
2779 H HB2  . SER   B 68  ? 0.543572 0.538209 0.671853 0.0786849   0.0778945   -0.109349   80  SER   B HB2  
2780 H HB3  . SER   B 68  ? 0.551546 0.527161 0.712997 0.0836943   0.0593289   -0.105472   80  SER   B HB3  
2782 N N    . LEU   B 69  ? 0.413648 0.378139 0.565225 0.0318423   0.022609    -0.0645822  81  LEU   B N    
2783 C CA   . LEU   B 69  ? 0.415369 0.352992 0.53785  0.0128985   0.00913771  -0.0572046  81  LEU   B CA   
2784 C C    . LEU   B 69  ? 0.407958 0.314558 0.506109 0.0115162   0.00957881  -0.0704965  81  LEU   B C    
2785 O O    . LEU   B 69  ? 0.406139 0.29474  0.513506 0.0244259   0.00764631  -0.0807686  81  LEU   B O    
2786 C CB   . LEU   B 69  ? 0.46413  0.386354 0.59678  0.00988911  -0.0120013  -0.0420427  81  LEU   B CB   
2787 C CG   . LEU   B 69  ? 0.475383 0.370266 0.57099  -0.00841497 -0.0216048  -0.0324467  81  LEU   B CG   
2788 C CD1  . LEU   B 69  ? 0.426335 0.340044 0.509502 -0.0214818  -0.018125   -0.0275925  81  LEU   B CD1  
2789 C CD2  . LEU   B 69  ? 0.519258 0.388102 0.613383 -0.0066858  -0.042957   -0.0183726  81  LEU   B CD2  
2790 H H    . LEU   B 69  ? 0.426705 0.397081 0.604474 0.0406483   0.0177484   -0.0609407  81  LEU   B H    
2791 H HA   . LEU   B 69  ? 0.400761 0.349489 0.511807 0.00322576  0.0135167   -0.053584   81  LEU   B HA   
2792 H HB2  . LEU   B 69  ? 0.448389 0.392335 0.602503 0.0110049   -0.0150395  -0.0354543  81  LEU   B HB2  
2793 H HB3  . LEU   B 69  ? 0.474967 0.382676 0.617388 0.0201398   -0.0168318  -0.044651   81  LEU   B HB3  
2794 H HG   . LEU   B 69  ? 0.475716 0.35565  0.555126 -0.0119311  -0.0156929  -0.0388062  81  LEU   B HG   
2795 H HD11 . LEU   B 69  ? 0.421101 0.346222 0.499935 -0.0220169  -0.00520991 -0.0349727  81  LEU   B HD11 
2796 H HD12 . LEU   B 69  ? 0.440809 0.336958 0.499846 -0.030602   -0.023694   -0.0219391  81  LEU   B HD12 
2797 H HD13 . LEU   B 69  ? 0.429585 0.359879 0.533348 -0.0195372  -0.0235899  -0.0227506  81  LEU   B HD13 
2798 H HD21 . LEU   B 69  ? 0.53114  0.386525 0.635258 0.00283669  -0.044879   -0.021083   81  LEU   B HD21 
2799 H HD22 . LEU   B 69  ? 0.51212  0.396443 0.623046 -0.00417573 -0.0522047  -0.0126226  81  LEU   B HD22 
2800 H HD23 . LEU   B 69  ? 0.523523 0.372633 0.589256 -0.017026   -0.04583    -0.0121169  81  LEU   B HD23 
2801 N N    . GLY   B 70  ? 0.413738 0.315519 0.485074 -0.00409568 0.011693    -0.0707486  82  GLY   B N    
2802 C CA   . GLY   B 70  ? 0.461399 0.336985 0.517479 -0.0123439  0.00886067  -0.0792169  82  GLY   B CA   
2803 C C    . GLY   B 70  ? 0.53378  0.411809 0.584615 -0.00325837 0.0149906   -0.101982   82  GLY   B C    
2804 O O    . GLY   B 70  ? 0.693742 0.547401 0.741789 -0.00828804 0.00877602  -0.112773   82  GLY   B O    
2805 H H    . GLY   B 70  ? 0.400787 0.31719  0.466588 -0.00992284 0.0149534   -0.0652401  82  GLY   B H    
2806 H HA2  . GLY   B 70  ? 0.454642 0.331098 0.498056 -0.0243409  0.00937578  -0.073509   82  GLY   B HA2  
2807 H HA3  . GLY   B 70  ? 0.482838 0.33601  0.544337 -0.0122642  0.00136987  -0.0753516  82  GLY   B HA3  
2808 N N    . LYS   B 71  ? 0.496882 0.401608 0.5458   0.0103137   0.0266385   -0.109023   83  LYS   B N    
2809 C CA   . LYS   B 71  ? 0.571994 0.476956 0.605058 0.0231495   0.0322833   -0.131564   83  LYS   B CA   
2810 C C    . LYS   B 71  ? 0.605555 0.527938 0.613388 0.0163286   0.0359633   -0.133419   83  LYS   B C    
2811 O O    . LYS   B 71  ? 0.719039 0.643494 0.704633 0.0267878   0.0384501   -0.150658   83  LYS   B O    
2812 C CB   . LYS   B 71  ? 0.568162 0.484875 0.610435 0.0472909   0.045123    -0.139335   83  LYS   B CB   
2813 H H    . LYS   B 71  ? 0.500753 0.423089 0.556695 0.0114      0.0312561   -0.0991012  83  LYS   B H    
2814 H HA   . LYS   B 71  ? 0.583631 0.465279 0.615867 0.0208905   0.023613    -0.141743   83  LYS   B HA   
2817 N N    . GLY   B 72  ? 0.641372 0.573469 0.64885  0.00088547  0.0348773   -0.116559   84  GLY   B N    
2818 C CA   . GLY   B 72  ? 0.601078 0.548322 0.587303 -0.00272554 0.0373968   -0.116921   84  GLY   B CA   
2819 C C    . GLY   B 72  ? 0.554816 0.524009 0.52622  0.0102358   0.0524248   -0.113325   84  GLY   B C    
2820 O O    . GLY   B 72  ? 0.617005 0.594157 0.564983 0.0113837   0.0532778   -0.114714   84  GLY   B O    
2821 H H    . GLY   B 72  ? 0.604562 0.532191 0.623146 -0.0060892  0.0318792   -0.105088   84  GLY   B H    
2822 H HA2  . GLY   B 72  ? 0.580273 0.528762 0.569336 -0.0136451  0.035477    -0.105893   84  GLY   B HA2  
2823 H HA3  . GLY   B 72  ? 0.61005  0.550683 0.588336 -0.00283282 0.0307546   -0.129969   84  GLY   B HA3  
2824 N N    . GLN   B 73  ? 0.48384  0.464447 0.472748 0.0178646   0.0641029   -0.104475   85  GLN   B N    
2825 C CA   . GLN   B 73  ? 0.430051 0.433777 0.413735 0.025871    0.0827378   -0.0945273  85  GLN   B CA   
2826 C C    . GLN   B 73  ? 0.384449 0.395633 0.371644 0.0106409   0.0827554   -0.0742655  85  GLN   B C    
2827 O O    . GLN   B 73  ? 0.37748  0.402511 0.35749  0.012528    0.0967258   -0.0628483  85  GLN   B O    
2828 C CB   . GLN   B 73  ? 0.443591 0.462653 0.460545 0.0354021   0.0948389   -0.0890045  85  GLN   B CB   
2829 C CG   . GLN   B 73  ? 0.525606 0.536633 0.541108 0.055518    0.0989072   -0.109164   85  GLN   B CG   
2830 C CD   . GLN   B 73  ? 0.521226 0.551629 0.57822  0.0678992   0.111318    -0.103454   85  GLN   B CD   
2831 O OE1  . GLN   B 73  ? 0.536617 0.588717 0.629526 0.059079    0.113746    -0.0840743  85  GLN   B OE1  
2832 N NE2  . GLN   B 73  ? 0.644984 0.667393 0.700948 0.0893169   0.117449    -0.12182    85  GLN   B NE2  
2833 H H    . GLN   B 73  ? 0.484179 0.458456 0.49182  0.0176692   0.0603711   -0.103429   85  GLN   B H    
2834 H HA   . GLN   B 73  ? 0.457769 0.462404 0.415752 0.0350043   0.0878119   -0.10316    85  GLN   B HA   
2835 H HB2  . GLN   B 73  ? 0.435743 0.452874 0.476264 0.0266519   0.0860047   -0.0808906  85  GLN   B HB2  
2836 H HB3  . GLN   B 73  ? 0.45294  0.489383 0.471129 0.037732    0.108999    -0.0795277  85  GLN   B HB3  
2837 H HG2  . GLN   B 73  ? 0.533082 0.544874 0.520446 0.065442    0.107341    -0.118335   85  GLN   B HG2  
2838 H HG3  . GLN   B 73  ? 0.513414 0.503964 0.528052 0.0518709   0.0844476   -0.118076   85  GLN   B HG3  
2839 H HE21 . GLN   B 73  ? 0.617287 0.651881 0.700538 0.0989122   0.124808    -0.119523   85  GLN   B HE21 
2840 H HE22 . GLN   B 73  ? 0.633341 0.637793 0.662299 0.094603    0.113518    -0.137188   85  GLN   B HE22 
2841 N N    . VAL   B 74  ? 0.335746 0.333709 0.331561 -0.00412484 0.0678473   -0.0695518  86  VAL   B N    
2842 C CA   . VAL   B 74  ? 0.322661 0.31865  0.314179 -0.01706    0.0646745   -0.0559394  86  VAL   B CA   
2843 C C    . VAL   B 74  ? 0.329045 0.31074  0.304372 -0.0240923  0.0540746   -0.0619254  86  VAL   B C    
2844 O O    . VAL   B 74  ? 0.311305 0.285319 0.286569 -0.0228433  0.0478072   -0.0743475  86  VAL   B O    
2845 C CB   . VAL   B 74  ? 0.313581 0.309072 0.332336 -0.0263322  0.0584407   -0.0437008  86  VAL   B CB   
2846 C CG1  . VAL   B 74  ? 0.317548 0.3358   0.363719 -0.0213285  0.0704705   -0.0355008  86  VAL   B CG1  
2847 C CG2  . VAL   B 74  ? 0.338917 0.319483 0.368404 -0.027581   0.0453044   -0.048397   86  VAL   B CG2  
2848 H H    . VAL   B 74  ? 0.345469 0.332791 0.34809  -0.00537064 0.0599213   -0.0752769  86  VAL   B H    
2849 H HA   . VAL   B 74  ? 0.329299 0.333281 0.311306 -0.0143117  0.0732633   -0.0509829  86  VAL   B HA   
2850 H HB   . VAL   B 74  ? 0.313409 0.30228  0.324685 -0.0347302  0.0545172   -0.0374022  86  VAL   B HB   
2851 H HG11 . VAL   B 74  ? 0.324596 0.349471 0.376985 -0.0107627  0.0761966   -0.0425211  86  VAL   B HG11 
2852 H HG12 . VAL   B 74  ? 0.320832 0.345577 0.358365 -0.0216054  0.0801242   -0.0299677  86  VAL   B HG12 
2853 H HG13 . VAL   B 74  ? 0.312064 0.331616 0.379113 -0.028026   0.062951    -0.0284516  86  VAL   B HG13 
2854 H HG21 . VAL   B 74  ? 0.329043 0.307504 0.370465 -0.0330353  0.0380865   -0.0404788  86  VAL   B HG21 
2855 H HG22 . VAL   B 74  ? 0.332032 0.29996  0.346681 -0.0315601  0.0408353   -0.0524467  86  VAL   B HG22 
2856 H HG23 . VAL   B 74  ? 0.338212 0.322808 0.377281 -0.0184701  0.0484369   -0.0548018  86  VAL   B HG23 
2857 N N    . ILE   B 75  ? 0.305324 0.283209 0.270923 -0.0315213  0.0528827   -0.0531063  87  ILE   B N    
2858 C CA   . ILE   B 75  ? 0.306059 0.275072 0.262924 -0.0374617  0.0467601   -0.0562097  87  ILE   B CA   
2859 C C    . ILE   B 75  ? 0.282391 0.237318 0.249299 -0.0457019  0.0402106   -0.056534   87  ILE   B C    
2860 O O    . ILE   B 75  ? 0.296139 0.244462 0.27241  -0.0478648  0.0366815   -0.0503874  87  ILE   B O    
2861 C CB   . ILE   B 75  ? 0.296387 0.260891 0.240577 -0.0402405  0.0486155   -0.0471876  87  ILE   B CB   
2862 C CG1  . ILE   B 75  ? 0.340283 0.292937 0.288782 -0.0483641  0.0461438   -0.0364927  87  ILE   B CG1  
2863 C CG2  . ILE   B 75  ? 0.329674 0.303172 0.259531 -0.0306983  0.0540013   -0.0454182  87  ILE   B CG2  
2864 C CD1  . ILE   B 75  ? 0.333838 0.272216 0.266624 -0.051351   0.0456137   -0.0310203  87  ILE   B CD1  
2865 H H    . ILE   B 75  ? 0.310539 0.291558 0.276555 -0.0324701  0.0571125   -0.0448223  87  ILE   B H    
2866 H HA   . ILE   B 75  ? 0.303014 0.27751  0.255289 -0.0328808  0.0459233   -0.064572   87  ILE   B HA   
2867 H HB   . ILE   B 75  ? 0.309269 0.270051 0.250623 -0.0426999  0.0465717   -0.0498134  87  ILE   B HB   
2868 H HG12 . ILE   B 75  ? 0.326538 0.286374 0.284515 -0.0471306  0.0490087   -0.0326049  87  ILE   B HG12 
2869 H HG13 . ILE   B 75  ? 0.326022 0.271793 0.279028 -0.0525584  0.0410682   -0.0372515  87  ILE   B HG13 
2870 H HG21 . ILE   B 75  ? 0.324562 0.291666 0.247084 -0.0315841  0.0541314   -0.0403417  87  ILE   B HG21 
2871 H HG22 . ILE   B 75  ? 0.326185 0.303703 0.257663 -0.0285134  0.0592971   -0.0407953  87  ILE   B HG22 
2872 H HG23 . ILE   B 75  ? 0.324968 0.305491 0.25083  -0.0252799  0.0517608   -0.0536444  87  ILE   B HG23 
2873 H HD11 . ILE   B 75  ? 0.339108 0.273268 0.26361  -0.0507131  0.0455077   -0.0348695  87  ILE   B HD11 
2874 H HD12 . ILE   B 75  ? 0.343009 0.271378 0.277907 -0.0574199  0.0407236   -0.0267407  87  ILE   B HD12 
2875 H HD13 . ILE   B 75  ? 0.341391 0.283432 0.270043 -0.0472382  0.0500164   -0.0279825  87  ILE   B HD13 
2876 N N    . LYS   B 76  ? 0.33377  0.284992 0.299815 -0.0504587  0.0386557   -0.0613631  88  LYS   B N    
2877 C CA   . LYS   B 76  ? 0.31745  0.252773 0.290263 -0.0589206  0.0357357   -0.0592995  88  LYS   B CA   
2878 C C    . LYS   B 76  ? 0.316574 0.236315 0.276823 -0.0636017  0.034275    -0.0463591  88  LYS   B C    
2879 O O    . LYS   B 76  ? 0.336666 0.240273 0.298125 -0.0663983  0.028638    -0.0408458  88  LYS   B O    
2880 C CB   . LYS   B 76  ? 0.368051 0.306977 0.348535 -0.0656405  0.0382004   -0.0638465  88  LYS   B CB   
2881 H H    . LYS   B 76  ? 0.313934 0.27331  0.276506 -0.048414   0.0398995   -0.0648338  88  LYS   B H    
2882 H HA   . LYS   B 76  ? 0.333387 0.264781 0.314994 -0.0566146  0.0324037   -0.0632565  88  LYS   B HA   
2885 N N    . ALA   B 77  ? 0.346489 0.266424 0.291177 -0.0637863  0.0372608   -0.0420647  89  ALA   B N    
2886 C CA   . ALA   B 77  ? 0.343307 0.243694 0.268971 -0.0678263  0.0324546   -0.0333661  89  ALA   B CA   
2887 C C    . ALA   B 77  ? 0.36337  0.259908 0.299506 -0.067859   0.0204419   -0.0288538  89  ALA   B C    
2888 O O    . ALA   B 77  ? 0.383568 0.261557 0.30746  -0.0709926  0.0103688   -0.0224791  89  ALA   B O    
2889 C CB   . ALA   B 77  ? 0.364937 0.262234 0.273951 -0.0663102  0.035216    -0.0328665  89  ALA   B CB   
2890 H H    . ALA   B 77  ? 0.328622 0.25863  0.27246  -0.0605743  0.0409562   -0.0452919  89  ALA   B H    
2891 H HA   . ALA   B 77  ? 0.365878 0.25514  0.282306 -0.0712279  0.0343846   -0.0306213  89  ALA   B HA   
2892 H HB1  . ALA   B 77  ? 0.359771 0.260509 0.264228 -0.0646086  0.0427646   -0.0353539  89  ALA   B HB1  
2893 H HB2  . ALA   B 77  ? 0.350615 0.25714  0.268213 -0.0638312  0.0346686   -0.0334935  89  ALA   B HB2  
2894 H HB3  . ALA   B 77  ? 0.374934 0.256234 0.268843 -0.068919   0.0297915   -0.0293835  89  ALA   B HB3  
2895 N N    . TRP   B 78  ? 0.34204  0.257731 0.301031 -0.062998   0.0214084   -0.031438   90  TRP   B N    
2896 C CA   . TRP   B 78  ? 0.348133 0.268396 0.328824 -0.0617459  0.0120487   -0.026874   90  TRP   B CA   
2897 C C    . TRP   B 78  ? 0.356319 0.269635 0.348784 -0.0575575  0.00603609  -0.0274874  90  TRP   B C    
2898 O O    . TRP   B 78  ? 0.378308 0.283082 0.377772 -0.0575736  -0.00805755 -0.0206462  90  TRP   B O    
2899 C CB   . TRP   B 78  ? 0.298268 0.243503 0.301769 -0.0568239  0.0206383   -0.0273222  90  TRP   B CB   
2900 C CG   . TRP   B 78  ? 0.319055 0.26581  0.324459 -0.0637877  0.0190514   -0.0200015  90  TRP   B CG   
2901 C CD1  . TRP   B 78  ? 0.353713 0.285361 0.33533  -0.0692042  0.0188084   -0.0187294  90  TRP   B CD1  
2902 C CD2  . TRP   B 78  ? 0.310901 0.275568 0.350768 -0.0662372  0.0178014   -0.0127525  90  TRP   B CD2  
2903 N NE1  . TRP   B 78  ? 0.329772 0.262954 0.325761 -0.0762308  0.0156035   -0.0116424  90  TRP   B NE1  
2904 C CE2  . TRP   B 78  ? 0.333978 0.289759 0.368765 -0.0762267  0.0151577   -0.00692575 90  TRP   B CE2  
2905 C CE3  . TRP   B 78  ? 0.304918 0.293082 0.383681 -0.0605119  0.0195757   -0.0106139  90  TRP   B CE3  
2906 C CZ2  . TRP   B 78  ? 0.327017 0.296945 0.398047 -0.0844049  0.012914    0.0020665   90  TRP   B CZ2  
2907 C CZ3  . TRP   B 78  ? 0.336958 0.34507  0.453475 -0.06648    0.0199034   -0.00140672 90  TRP   B CZ3  
2908 C CH2  . TRP   B 78  ? 0.332972 0.332242 0.447004 -0.0800518  0.0163168   0.00541741  90  TRP   B CH2  
2909 H H    . TRP   B 78  ? 0.335487 0.262449 0.296802 -0.0596468  0.0283304   -0.0355888  90  TRP   B H    
2910 H HA   . TRP   B 78  ? 0.349629 0.259957 0.323059 -0.0664994  0.00327301  -0.0219824  90  TRP   B HA   
2911 H HB2  . TRP   B 78  ? 0.306011 0.257539 0.303304 -0.052492   0.0297407   -0.0326747  90  TRP   B HB2  
2912 H HB3  . TRP   B 78  ? 0.310581 0.264233 0.334659 -0.0526459  0.018689    -0.0269605  90  TRP   B HB3  
2913 H HD1  . TRP   B 78  ? 0.342313 0.263962 0.303229 -0.0681961  0.0210852   -0.0222019  90  TRP   B HD1  
2914 H HE1  . TRP   B 78  ? 0.347899 0.269072 0.332402 -0.0800891  0.0140037   -0.0104477  90  TRP   B HE1  
2915 H HE3  . TRP   B 78  ? 0.311251 0.301618 0.393015 -0.0526396  0.0208105   -0.0154113  90  TRP   B HE3  
2916 H HZ2  . TRP   B 78  ? 0.341915 0.30217  0.410582 -0.0923555  0.0103154   0.00575568  90  TRP   B HZ2  
2917 H HZ3  . TRP   B 78  ? 0.324225 0.35209  0.471734 -0.0615223  0.0227144   0.00036298  90  TRP   B HZ3  
2918 H HH2  . TRP   B 78  ? 0.33411  0.347717 0.479494 -0.0861841  0.0164531   0.0124344   90  TRP   B HH2  
2919 N N    . ASP   B 79  ? 0.32739  0.242298 0.323362 -0.0532321  0.0137582   -0.0360778  91  ASP   B N    
2920 C CA   . ASP   B 79  ? 0.351634 0.251861 0.356953 -0.0497482  0.00821638  -0.0372834  91  ASP   B CA   
2921 C C    . ASP   B 79  ? 0.390344 0.262152 0.374931 -0.0576216  5.521e-05   -0.0258288  91  ASP   B C    
2922 O O    . ASP   B 79  ? 0.432485 0.288146 0.422506 -0.0538874  -0.0107884  -0.019375   91  ASP   B O    
2923 C CB   . ASP   B 79  ? 0.346287 0.247519 0.355736 -0.0466826  0.0155532   -0.0511041  91  ASP   B CB   
2924 C CG   . ASP   B 79  ? 0.340066 0.259693 0.363196 -0.0333441  0.0215461   -0.0634302  91  ASP   B CG   
2925 O OD1  . ASP   B 79  ? 0.341793 0.272736 0.38225  -0.0250634  0.0215551   -0.0594919  91  ASP   B OD1  
2926 O OD2  . ASP   B 79  ? 0.389329 0.310086 0.406882 -0.0305284  0.0250944   -0.0777299  91  ASP   B OD2  
2927 H H    . ASP   B 79  ? 0.328096 0.25161  0.320295 -0.052315   0.0212215   -0.041627   91  ASP   B H    
2928 H HA   . ASP   B 79  ? 0.352375 0.259029 0.37513  -0.0431574  0.00410467  -0.0363729  91  ASP   B HA   
2929 H HB2  . ASP   B 79  ? 0.341408 0.246017 0.34046  -0.0519724  0.0201753   -0.053147   91  ASP   B HB2  
2930 H HB3  . ASP   B 79  ? 0.361617 0.245472 0.373484 -0.0480775  0.0114393   -0.0505163  91  ASP   B HB3  
2931 N N    . ILE   B 80  ? 0.368135 0.232981 0.327474 -0.0662414  0.0068482   -0.0228897  92  ILE   B N    
2932 C CA   . ILE   B 80  ? 0.427144 0.264799 0.357388 -0.0723033  0.00439772  -0.0108798  92  ILE   B CA   
2933 C C    . ILE   B 80  ? 0.445417 0.272373 0.357361 -0.0706433  -0.0116287  -0.00301686 92  ILE   B C    
2934 O O    . ILE   B 80  ? 0.48504  0.288171 0.381875 -0.0691245  -0.0246363  0.0075947   92  ILE   B O    
2935 C CB   . ILE   B 80  ? 0.438394 0.277422 0.350308 -0.0790333  0.0204329   -0.0114992  92  ILE   B CB   
2936 C CG1  . ILE   B 80  ? 0.456157 0.303477 0.389672 -0.083683   0.0313822   -0.017415   92  ILE   B CG1  
2937 C CG2  . ILE   B 80  ? 0.515827 0.328148 0.386651 -0.0827664  0.0229706   0.00111553  92  ILE   B CG2  
2938 C CD1  . ILE   B 80  ? 0.472152 0.338639 0.404856 -0.0861907  0.0451014   -0.0225236  92  ILE   B CD1  
2939 H H    . ILE   B 80  ? 0.367357 0.244761 0.326295 -0.067      0.0142333   -0.0282416  92  ILE   B H    
2940 H HA   . ILE   B 80  ? 0.437412 0.26159  0.371889 -0.0724707  0.00251206  -0.00730208 92  ILE   B HA   
2941 H HB   . ILE   B 80  ? 0.432783 0.285561 0.344855 -0.0771467  0.0223966   -0.01676    92  ILE   B HB   
2942 H HG12 . ILE   B 80  ? 0.476782 0.307066 0.406547 -0.0883815  0.0331161   -0.00996106 92  ILE   B HG12 
2943 H HG13 . ILE   B 80  ? 0.442665 0.299398 0.395845 -0.0798979  0.0272488   -0.0255022  92  ILE   B HG13 
2944 H HG21 . ILE   B 80  ? 0.504661 0.321285 0.369093 -0.0856561  0.0363517   0.0004047   92  ILE   B HG21 
2945 H HG22 . ILE   B 80  ? 0.524048 0.319405 0.39062  -0.0842004  0.020072    0.0091259   92  ILE   B HG22 
2946 H HG23 . ILE   B 80  ? 0.51051  0.317473 0.364967 -0.0801317  0.0140898   0.00192508  92  ILE   B HG23 
2947 H HD11 . ILE   B 80  ? 0.447031 0.326402 0.380346 -0.0810484  0.0429637   -0.0281868  92  ILE   B HD11 
2948 H HD12 . ILE   B 80  ? 0.45862  0.333615 0.410632 -0.0898221  0.0490616   -0.0273437  92  ILE   B HD12 
2949 H HD13 . ILE   B 80  ? 0.479336 0.336393 0.39234  -0.0885966  0.0518624   -0.015311   92  ILE   B HD13 
2950 N N    . GLY   B 81  ? 0.408314 0.25038  0.322168 -0.0709246  -0.0137307  -0.00782197 93  GLY   B N    
2951 C CA   . GLY   B 81  ? 0.470342 0.300024 0.366812 -0.0723658  -0.0320532  -0.00328609 93  GLY   B CA   
2952 C C    . GLY   B 81  ? 0.442953 0.281133 0.370918 -0.0681048  -0.0525947  0.00044199  93  GLY   B C    
2953 O O    . GLY   B 81  ? 0.488109 0.306569 0.398382 -0.0671956  -0.0733924  0.00754265  93  GLY   B O    
2954 H H    . GLY   B 81  ? 0.401604 0.259756 0.326982 -0.0705423  -0.00506196 -0.0139253  93  GLY   B H    
2955 H HA2  . GLY   B 81  ? 0.481861 0.289524 0.346055 -0.0736059  -0.0341257  0.00151715  93  GLY   B HA2  
2956 H HA3  . GLY   B 81  ? 0.445077 0.281587 0.34016  -0.0746404  -0.0295213  -0.00757842 93  GLY   B HA3  
2957 N N    . VAL   B 82  ? 0.426185 0.294255 0.400381 -0.063395   -0.0470909  -0.0039473  94  VAL   B N    
2958 C CA   . VAL   B 82  ? 0.429942 0.313733 0.444161 -0.0572663  -0.0631186  -0.00045408 94  VAL   B CA   
2959 C C    . VAL   B 82  ? 0.487896 0.352222 0.500474 -0.0483208  -0.0740321  0.00573279  94  VAL   B C    
2960 O O    . VAL   B 82  ? 0.475388 0.340501 0.505929 -0.0428123  -0.0966973  0.0121911   94  VAL   B O    
2961 C CB   . VAL   B 82  ? 0.465054 0.386815 0.525583 -0.0528718  -0.0483088  -0.00587273 94  VAL   B CB   
2962 C CG1  . VAL   B 82  ? 0.48449  0.429904 0.596483 -0.0440236  -0.059789   -0.00222568 94  VAL   B CG1  
2963 C CG2  . VAL   B 82  ? 0.472777 0.405791 0.530347 -0.0627166  -0.0397885  -0.00723499 94  VAL   B CG2  
2964 H H    . VAL   B 82  ? 0.406979 0.286495 0.387449 -0.0629101  -0.0326694  -0.00921021 94  VAL   B H    
2965 H HA   . VAL   B 82  ? 0.458277 0.338905 0.469125 -0.0616706  -0.0779317  0.00242246  94  VAL   B HA   
2966 H HB   . VAL   B 82  ? 0.45016  0.372513 0.507779 -0.0482041  -0.0346671  -0.0109828  94  VAL   B HB   
2967 H HG11 . VAL   B 82  ? 0.490839 0.433708 0.60693  -0.0484423  -0.0781759  0.0027394   94  VAL   B HG11 
2968 H HG12 . VAL   B 82  ? 0.486464 0.424304 0.601462 -0.0351236  -0.0613364  -0.00260194 94  VAL   B HG12 
2969 H HG13 . VAL   B 82  ? 0.462327 0.432868 0.601117 -0.0421856  -0.04733    -0.00436012 94  VAL   B HG13 
2970 H HG21 . VAL   B 82  ? 0.451668 0.407692 0.536269 -0.0598877  -0.0292616  -0.00802214 94  VAL   B HG21 
2971 H HG22 . VAL   B 82  ? 0.463171 0.384716 0.49282  -0.0650144  -0.0304885  -0.0104044  94  VAL   B HG22 
2972 H HG23 . VAL   B 82  ? 0.477703 0.40507  0.534352 -0.0689943  -0.0544513  -0.00388791 94  VAL   B HG23 
2973 N N    . ALA   B 83  ? 0.442952 0.287715 0.435179 -0.0476656  -0.0604029  0.0049353   95  ALA   B N    
2974 C CA   . ALA   B 83  ? 0.510142 0.32631  0.494437 -0.0414212  -0.0694709  0.0135921   95  ALA   B CA   
2975 C C    . ALA   B 83  ? 0.590231 0.375554 0.53441  -0.0430104  -0.0903677  0.0279614   95  ALA   B C    
2976 O O    . ALA   B 83  ? 0.618028 0.380002 0.558642 -0.0348443  -0.104447   0.0387103   95  ALA   B O    
2977 C CB   . ALA   B 83  ? 0.513088 0.310566 0.482242 -0.0462412  -0.0507043  0.0114857   95  ALA   B CB   
2978 H H    . ALA   B 83  ? 0.448135 0.29707  0.433323 -0.0516408  -0.045762   -0.00060699 95  ALA   B H    
2979 H HA   . ALA   B 83  ? 0.505284 0.332207 0.521308 -0.0318881  -0.0752206  0.012068    95  ALA   B HA   
2980 H HB1  . ALA   B 83  ? 0.491846 0.305778 0.482415 -0.0440906  -0.040637   0.00102656  95  ALA   B HB1  
2981 H HB2  . ALA   B 83  ? 0.516632 0.307445 0.459514 -0.0546008  -0.0432671  0.0134578   95  ALA   B HB2  
2982 H HB3  . ALA   B 83  ? 0.538914 0.314101 0.504118 -0.0429256  -0.0565874  0.0187101   95  ALA   B HB3  
2983 N N    . THR   B 84  ? 0.580269 0.359676 0.487659 -0.0518725  -0.0917397  0.0279694   96  THR   B N    
2984 C CA   . THR   B 84  ? 0.662719 0.409266 0.519288 -0.0519646  -0.111759   0.038845    96  THR   B CA   
2985 C C    . THR   B 84  ? 0.677166 0.433693 0.550768 -0.0481889  -0.145728   0.0387016   96  THR   B C    
2986 O O    . THR   B 84  ? 0.716688 0.44403  0.544631 -0.046515   -0.168637   0.0460961   96  THR   B O    
2987 C CB   . THR   B 84  ? 0.64216  0.371997 0.444599 -0.0604354  -0.0974059  0.0366457   96  THR   B CB   
2988 O OG1  . THR   B 84  ? 0.633831 0.385554 0.450266 -0.0654046  -0.100082   0.0238115   96  THR   B OG1  
2989 C CG2  . THR   B 84  ? 0.660775 0.387837 0.453813 -0.0657233  -0.0645074  0.0368875   96  THR   B CG2  
2990 H H    . THR   B 84  ? 0.567126 0.36089  0.477763 -0.056843   -0.0799936  0.0204721   96  THR   B H    
2991 H HA   . THR   B 84  ? 0.67604  0.401092 0.519022 -0.0479507  -0.113662   0.0486232   96  THR   B HA   
2992 H HB   . THR   B 84  ? 0.700731 0.404218 0.462189 -0.0585372  -0.109385   0.0442861   96  THR   B HB   
2994 H HG21 . THR   B 84  ? 0.663768 0.382845 0.425189 -0.0689424  -0.0556144  0.0355048   96  THR   B HG21 
2995 H HG22 . THR   B 84  ? 0.613352 0.364142 0.441797 -0.0668813  -0.0546555  0.028655    96  THR   B HG22 
2996 H HG23 . THR   B 84  ? 0.673483 0.382671 0.457514 -0.0644365  -0.0624452  0.0467498   96  THR   B HG23 
2997 N N    . MET   B 85  ? 0.65507  0.451813 0.592022 -0.0469175  -0.149905   0.0310872   97  MET   B N    
2998 C CA   . MET   B 85  ? 0.708232 0.521195 0.670743 -0.0486488  -0.180319   0.0296812   97  MET   B CA   
2999 C C    . MET   B 85  ? 0.670099 0.496387 0.678203 -0.0352854  -0.20642    0.0372877   97  MET   B C    
3000 O O    . MET   B 85  ? 0.597619 0.434947 0.639193 -0.0240748  -0.193401   0.0390631   97  MET   B O    
3001 C CB   . MET   B 85  ? 0.616254 0.469294 0.627789 -0.0574692  -0.166237   0.0195994   97  MET   B CB   
3002 C CG   . MET   B 85  ? 0.574668 0.416261 0.548057 -0.0681446  -0.144466   0.0122266   97  MET   B CG   
3003 S SD   . MET   B 85  ? 0.525319 0.403099 0.544513 -0.0786186  -0.127841   0.00465937  97  MET   B SD   
3004 C CE   . MET   B 85  ? 0.499648 0.329675 0.435086 -0.0833324  -0.126776   0.00049516  97  MET   B CE   
3005 H H    . MET   B 85  ? 0.63007  0.44502  0.595976 -0.0452464  -0.133403   0.0267814   97  MET   B H    
3006 H HA   . MET   B 85  ? 0.713164 0.502356 0.632827 -0.0526484  -0.193834   0.0304715   97  MET   B HA   
3007 H HB2  . MET   B 85  ? 0.592014 0.467072 0.639653 -0.0519965  -0.151578   0.0186542   97  MET   B HB2  
3008 H HB3  . MET   B 85  ? 0.62454  0.489869 0.66037  -0.060633   -0.1866     0.0194024   97  MET   B HB3  
3009 H HG2  . MET   B 85  ? 0.609488 0.426375 0.543189 -0.071531   -0.157494   0.0120692   97  MET   B HG2  
3010 H HG3  . MET   B 85  ? 0.571524 0.405415 0.527695 -0.0653676  -0.125372   0.0123896   97  MET   B HG3  
3011 H HE1  . MET   B 85  ? 0.505756 0.337752 0.43931  -0.0888588  -0.117213   -0.0043305  97  MET   B HE1  
3012 H HE2  . MET   B 85  ? 0.549895 0.361312 0.463883 -0.0842686  -0.14902    0.00129535  97  MET   B HE2  
3013 H HE3  . MET   B 85  ? 0.515424 0.335801 0.428671 -0.0786675  -0.112595   0.00217699  97  MET   B HE3  
3014 N N    . LYS   B 86  ? 0.708555 0.537292 0.72509  -0.0358312  -0.244853   0.0394711   98  LYS   B N    
3015 C CA   . LYS   B 86  ? 0.736352 0.585702 0.807143 -0.0222494  -0.275264   0.0463624   98  LYS   B CA   
3016 C C    . LYS   B 86  ? 0.698652 0.60516  0.856204 -0.0284708  -0.281413   0.0397437   98  LYS   B C    
3017 O O    . LYS   B 86  ? 0.659427 0.577913 0.821422 -0.0455205  -0.271359   0.031652    98  LYS   B O    
3018 C CB   . LYS   B 86  ? 0.789922 0.601825 0.810911 -0.0161813  -0.319621   0.0557268   98  LYS   B CB   
3019 H H    . LYS   B 86  ? 0.725311 0.542454 0.713826 -0.0445285  -0.253764   0.0356922   98  LYS   B H    
3020 H HA   . LYS   B 86  ? 0.72076  0.571593 0.806903 -0.0113739  -0.262295   0.0499967   98  LYS   B HA   
3023 N N    . LYS   B 87  ? 0.674208 0.617564 0.906132 -0.0138404  -0.293458   0.0442859   99  LYS   B N    
3024 C CA   . LYS   B 87  ? 0.649071 0.653884 0.975057 -0.018735   -0.294535   0.0411011   99  LYS   B CA   
3025 C C    . LYS   B 87  ? 0.678214 0.683695 1.00592  -0.0378085  -0.331906   0.0382624   99  LYS   B C    
3026 O O    . LYS   B 87  ? 0.721045 0.698992 1.01563  -0.0336747  -0.374813   0.0415857   99  LYS   B O    
3027 C CB   . LYS   B 87  ? 0.626276 0.67211  1.03538  0.00262159  -0.309203   0.0472256   99  LYS   B CB   
3028 H H    . LYS   B 87  ? 0.697708 0.62761  0.923225 -8.11e-06   -0.299938   0.0503159   99  LYS   B H    
3029 H HA   . LYS   B 87  ? 0.611219 0.631777 0.949028 -0.0243097  -0.262529   0.0365457   99  LYS   B HA   
3032 N N    . GLY   B 88  ? 0.689043 0.717882 1.04537  -0.0583273  -0.315683   0.0320253   100 GLY   B N    
3033 C CA   . GLY   B 88  ? 0.742225 0.768389 1.10538  -0.0794272  -0.350087   0.0268159   100 GLY   B CA   
3034 C C    . GLY   B 88  ? 0.763228 0.732271 1.03046  -0.0928793  -0.347624   0.017896    100 GLY   B C    
3035 O O    . GLY   B 88  ? 0.755167 0.716405 1.02385  -0.112107   -0.367385   0.0102225   100 GLY   B O    
3036 H H    . GLY   B 88  ? 0.652524 0.696805 1.02317  -0.0591321  -0.282878   0.0309675   100 GLY   B H    
3037 H HA2  . GLY   B 88  ? 0.709393 0.773034 1.135    -0.0894233  -0.339988   0.0270342   100 GLY   B HA2  
3038 H HA3  . GLY   B 88  ? 0.764488 0.790105 1.13764  -0.0746439  -0.387031   0.0287316   100 GLY   B HA3  
3039 N N    . GLU   B 89  ? 0.768923 0.699576 0.95888  -0.0831286  -0.321138   0.018301    101 GLU   B N    
3040 C CA   . GLU   B 89  ? 0.778891 0.659144 0.880431 -0.0917093  -0.313851   0.0103144   101 GLU   B CA   
3041 C C    . GLU   B 89  ? 0.760376 0.651009 0.876627 -0.107803   -0.283397   0.00350408  101 GLU   B C    
3042 O O    . GLU   B 89  ? 0.667676 0.593995 0.832012 -0.10748    -0.248768   0.00717068  101 GLU   B O    
3043 C CB   . GLU   B 89  ? 0.79008  0.637242 0.823123 -0.0773956  -0.289092   0.0153832   101 GLU   B CB   
3044 C CG   . GLU   B 89  ? 0.772048 0.569328 0.712653 -0.0820369  -0.278115   0.00886247  101 GLU   B CG   
3045 C CD   . GLU   B 89  ? 0.778823 0.551977 0.667658 -0.0709703  -0.249321   0.0162584   101 GLU   B CD   
3046 O OE1  . GLU   B 89  ? 0.78377  0.54644  0.664391 -0.0588312  -0.26252    0.0273649   101 GLU   B OE1  
3047 O OE2  . GLU   B 89  ? 0.668265 0.433905 0.530276 -0.0749813  -0.215061   0.0115399   101 GLU   B OE2  
3048 H H    . GLU   B 89  ? 0.75042  0.686775 0.945189 -0.0706598  -0.306786   0.0234012   101 GLU   B H    
3049 H HA   . GLU   B 89  ? 0.82727  0.685338 0.901602 -0.0953124  -0.345929   0.00653464  101 GLU   B HA   
3050 H HB2  . GLU   B 89  ? 0.80167  0.640078 0.826455 -0.0670624  -0.30782    0.0218899   101 GLU   B HB2  
3051 H HB3  . GLU   B 89  ? 0.737961 0.605487 0.797496 -0.0742126  -0.260458   0.0171488   101 GLU   B HB3  
3052 H HG2  . GLU   B 89  ? 0.761411 0.565573 0.710571 -0.09104    -0.261827   0.00243509  101 GLU   B HG2  
3053 H HG3  . GLU   B 89  ? 0.829088 0.601744 0.734771 -0.0831762  -0.306208   0.00608897  101 GLU   B HG3  
3054 N N    . ILE   B 90  ? 0.726663 0.578645 0.789791 -0.119414   -0.295349   -0.00672974 102 ILE   B N    
3055 C CA   . ILE   B 90  ? 0.713585 0.557476 0.765569 -0.130476   -0.266273   -0.0127981  102 ILE   B CA   
3056 C C    . ILE   B 90  ? 0.662961 0.457444 0.619395 -0.122769   -0.251199   -0.0191534  102 ILE   B C    
3057 O O    . ILE   B 90  ? 0.698128 0.452311 0.592009 -0.119453   -0.277057   -0.0250159  102 ILE   B O    
3058 C CB   . ILE   B 90  ? 0.714078 0.554229 0.796216 -0.151276   -0.290658   -0.0204361  102 ILE   B CB   
3059 C CG1  . ILE   B 90  ? 0.720112 0.617516 0.909397 -0.161608   -0.296647   -0.0115506  102 ILE   B CG1  
3060 C CG2  . ILE   B 90  ? 0.68991  0.505752 0.741778 -0.159129   -0.263025   -0.0265341  102 ILE   B CG2  
3061 C CD1  . ILE   B 90  ? 0.721633 0.617411 0.953585 -0.18622    -0.324144   -0.0171777  102 ILE   B CD1  
3062 H H    . ILE   B 90  ? 0.785629 0.613108 0.815984 -0.119048   -0.323666   -0.0103814  102 ILE   B H    
3063 H HA   . ILE   B 90  ? 0.651586 0.523394 0.738437 -0.128745   -0.239281   -0.00741711 102 ILE   B HA   
3064 H HB   . ILE   B 90  ? 0.765174 0.578713 0.815329 -0.152391   -0.322122   -0.0273104  102 ILE   B HB   
3065 H HG12 . ILE   B 90  ? 0.666726 0.588732 0.882314 -0.159334   -0.26409    -0.00487473 102 ILE   B HG12 
3066 H HG13 . ILE   B 90  ? 0.708958 0.622511 0.918667 -0.153869   -0.314162   -0.00783159 102 ILE   B HG13 
3067 H HG21 . ILE   B 90  ? 0.714603 0.523597 0.7858   -0.172966   -0.279241   -0.0310775  102 ILE   B HG21 
3068 H HG22 . ILE   B 90  ? 0.656184 0.496344 0.734058 -0.157086   -0.23331    -0.0195163  102 ILE   B HG22 
3069 H HG23 . ILE   B 90  ? 0.71742  0.499286 0.704662 -0.151629   -0.259223   -0.0327291  102 ILE   B HG23 
3070 H HD11 . ILE   B 90  ? 0.772688 0.638623 0.970383 -0.188284   -0.357798   -0.026532   102 ILE   B HD11 
3071 H HD12 . ILE   B 90  ? 0.71111  0.648285 1.017    -0.192306   -0.328389   -0.00982862 102 ILE   B HD12 
3072 H HD13 . ILE   B 90  ? 0.723223 0.605636 0.944004 -0.19377    -0.304487   -0.0186753  102 ILE   B HD13 
3073 N N    . ALA   B 91  ? 0.639707 0.439525 0.587551 -0.119753   -0.209601   -0.0181544  103 ALA   B N    
3074 C CA   . ALA   B 91  ? 0.631658 0.394688 0.503242 -0.112172   -0.189861   -0.0232023  103 ALA   B CA   
3075 C C    . ALA   B 91  ? 0.614698 0.376488 0.486621 -0.117021   -0.163172   -0.0285323  103 ALA   B C    
3076 O O    . ALA   B 91  ? 0.574962 0.369441 0.50324  -0.122814   -0.148324   -0.0236712  103 ALA   B O    
3077 C CB   . ALA   B 91  ? 0.647466 0.41965  0.508726 -0.0994292  -0.167118   -0.0142813  103 ALA   B CB   
3078 H H    . ALA   B 91  ? 0.595444 0.423815 0.5869   -0.121862   -0.193331   -0.0140869  103 ALA   B H    
3079 H HA   . ALA   B 91  ? 0.688003 0.419723 0.514851 -0.111587   -0.209298   -0.0286951  103 ALA   B HA   
3080 H HB1  . ALA   B 91  ? 0.647409 0.421047 0.514556 -0.0956067  -0.183933   -0.00914383 103 ALA   B HB1  
3081 H HB2  . ALA   B 91  ? 0.595177 0.393438 0.492159 -0.0992184  -0.147831   -0.0117669  103 ALA   B HB2  
3082 H HB3  . ALA   B 91  ? 0.652678 0.402026 0.466163 -0.0951615  -0.155409   -0.0162237  103 ALA   B HB3  
3083 N N    . HIS   B 92  ? 0.576353 0.301366 0.382535 -0.111297   -0.153518   -0.0365637  104 HIS   B N    
3084 C CA   . HIS   B 92  ? 0.603034 0.322143 0.397379 -0.109284   -0.126148   -0.0411204  104 HIS   B CA   
3085 C C    . HIS   B 92  ? 0.613656 0.340233 0.384305 -0.0968672  -0.0945306  -0.0374507  104 HIS   B C    
3086 O O    . HIS   B 92  ? 0.652951 0.363164 0.381989 -0.0900775  -0.0949017  -0.0358397  104 HIS   B O    
3087 C CB   . HIS   B 92  ? 0.675065 0.347007 0.417303 -0.109621   -0.136703   -0.0553062  104 HIS   B CB   
3088 C CG   . HIS   B 92  ? 0.68668  0.348706 0.459183 -0.125262   -0.165842   -0.0605592  104 HIS   B CG   
3089 N ND1  . HIS   B 92  ? 0.748768 0.363085 0.480843 -0.128198   -0.182948   -0.0760021  104 HIS   B ND1  
3090 C CD2  . HIS   B 92  ? 0.662999 0.356921 0.506415 -0.139409   -0.178422   -0.0525431  104 HIS   B CD2  
3091 C CE1  . HIS   B 92  ? 0.758555 0.37453  0.538202 -0.146339   -0.20861    -0.0770104  104 HIS   B CE1  
3092 N NE2  . HIS   B 92  ? 0.681859 0.349317 0.532965 -0.153829   -0.204293   -0.0614996  104 HIS   B NE2  
3093 H H    . HIS   B 92  ? 0.635818 0.337624 0.400705 -0.106952   -0.164753   -0.0390198  104 HIS   B H    
3094 H HA   . HIS   B 92  ? 0.574387 0.315672 0.411968 -0.114896   -0.119664   -0.0372514  104 HIS   B HA   
3095 H HB2  . HIS   B 92  ? 0.705337 0.35433  0.40174  -0.103756   -0.144788   -0.0592782  104 HIS   B HB2  
3096 H HB3  . HIS   B 92  ? 0.66102  0.329796 0.393566 -0.104529   -0.11585    -0.0573723  104 HIS   B HB3  
3098 H HD2  . HIS   B 92  ? 0.62213  0.350262 0.504797 -0.139449   -0.170435   -0.0428517  104 HIS   B HD2  
3099 H HE1  . HIS   B 92  ? 0.792283 0.377103 0.558482 -0.152881   -0.226102   -0.0875076  104 HIS   B HE1  
3101 N N    . LEU   B 93  ? 0.577239 0.327569 0.374698 -0.0946262  -0.0686145  -0.0352112  105 LEU   B N    
3102 C CA   . LEU   B 93  ? 0.520495 0.282439 0.306657 -0.0850334  -0.0411257  -0.0334309  105 LEU   B CA   
3103 C C    . LEU   B 93  ? 0.50061  0.256447 0.275788 -0.0795612  -0.0239741  -0.03927    105 LEU   B C    
3104 O O    . LEU   B 93  ? 0.529082 0.291901 0.331112 -0.0834795  -0.0246168  -0.0383651  105 LEU   B O    
3105 C CB   . LEU   B 93  ? 0.471968 0.272649 0.305246 -0.0847495  -0.0301402  -0.0262945  105 LEU   B CB   
3106 C CG   . LEU   B 93  ? 0.512842 0.323509 0.367008 -0.0864918  -0.0444242  -0.0200079  105 LEU   B CG   
3107 C CD1  . LEU   B 93  ? 0.498311 0.343134 0.3969   -0.0835825  -0.0323001  -0.0167644  105 LEU   B CD1  
3108 C CD2  . LEU   B 93  ? 0.58752  0.374069 0.397709 -0.0822995  -0.0445778  -0.0175017  105 LEU   B CD2  
3109 H H    . LEU   B 93  ? 0.553488 0.313196 0.378179 -0.0996448  -0.0691017  -0.0343629  105 LEU   B H    
3110 H HA   . LEU   B 93  ? 0.546568 0.293909 0.301517 -0.0814731  -0.0410197  -0.0333742  105 LEU   B HA   
3111 H HB2  . LEU   B 93  ? 0.464269 0.278313 0.322691 -0.0870386  -0.0275886  -0.025641   105 LEU   B HB2  
3112 H HB3  . LEU   B 93  ? 0.472318 0.279009 0.299071 -0.0798014  -0.014445   -0.0266823  105 LEU   B HB3  
3113 H HG   . LEU   B 93  ? 0.527295 0.334221 0.390892 -0.0913348  -0.0621124  -0.0197006  105 LEU   B HG   
3114 H HD11 . LEU   B 93  ? 0.475112 0.333904 0.394753 -0.0851821  -0.0279931  -0.0170854  105 LEU   B HD11 
3115 H HD12 . LEU   B 93  ? 0.4913   0.340754 0.405061 -0.0831265  -0.0423759  -0.0133294  105 LEU   B HD12 
3116 H HD13 . LEU   B 93  ? 0.48248  0.329495 0.37276  -0.0798987  -0.0189298  -0.0179626  105 LEU   B HD13 
3117 H HD21 . LEU   B 93  ? 0.605859 0.368956 0.383637 -0.0827457  -0.0543972  -0.0201675  105 LEU   B HD21 
3118 H HD22 . LEU   B 93  ? 0.564815 0.354712 0.367548 -0.0793233  -0.0266761  -0.0179719  105 LEU   B HD22 
3119 H HD23 . LEU   B 93  ? 0.573244 0.363654 0.39515  -0.0817449  -0.0526672  -0.0122976  105 LEU   B HD23 
3120 N N    . LEU   B 94  ? 0.506588 0.252556 0.248048 -0.069888   -0.00683109 -0.0430034  106 LEU   B N    
3121 C CA   . LEU   B 94  ? 0.535292 0.283681 0.274607 -0.0604568  0.0118735   -0.0476149  106 LEU   B CA   
3122 C C    . LEU   B 94  ? 0.551955 0.33352  0.311513 -0.0550538  0.0333336   -0.0435476  106 LEU   B C    
3123 O O    . LEU   B 94  ? 0.518677 0.30148  0.265213 -0.0551099  0.0411097   -0.0404072  106 LEU   B O    
3124 C CB   . LEU   B 94  ? 0.599251 0.308924 0.287001 -0.0513572  0.0141548   -0.0581185  106 LEU   B CB   
3125 C CG   . LEU   B 94  ? 0.627049 0.336969 0.313485 -0.0373671  0.0330584   -0.06365    106 LEU   B CG   
3126 C CD1  . LEU   B 94  ? 0.614658 0.318809 0.323323 -0.0389612  0.0250481   -0.0635335  106 LEU   B CD1  
3127 C CD2  . LEU   B 94  ? 0.752737 0.426426 0.385582 -0.0241382  0.0408929   -0.0753075  106 LEU   B CD2  
3128 H H    . LEU   B 94  ? 0.532611 0.270748 0.252657 -0.0683445  -0.00613619 -0.0417609  106 LEU   B H    
3129 H HA   . LEU   B 94  ? 0.525128 0.278863 0.285796 -0.0630135  0.00833267  -0.0465619  106 LEU   B HA   
3130 H HB2  . LEU   B 94  ? 0.626052 0.312594 0.302351 -0.0563327  -0.00319148 -0.0622568  106 LEU   B HB2  
3131 H HB3  . LEU   B 94  ? 0.620278 0.324156 0.283401 -0.048659   0.0193945   -0.0576837  106 LEU   B HB3  
3132 H HG   . LEU   B 94  ? 0.605778 0.343608 0.312067 -0.0338219  0.0474148   -0.0594318  106 LEU   B HG   
3133 H HD11 . LEU   B 94  ? 0.582972 0.310567 0.322962 -0.0457359  0.0229069   -0.0558877  106 LEU   B HD11 
3134 H HD12 . LEU   B 94  ? 0.620751 0.324937 0.327944 -0.0278927  0.036455    -0.0660959  106 LEU   B HD12 
3135 H HD13 . LEU   B 94  ? 0.645425 0.321269 0.338629 -0.0439143  0.0105377   -0.0681137  106 LEU   B HD13 
3136 H HD21 . LEU   B 94  ? 0.741632 0.417413 0.356032 -0.0225632  0.0490459   -0.0735379  106 LEU   B HD21 
3137 H HD22 . LEU   B 94  ? 0.761582 0.404393 0.372581 -0.0272081  0.0247423   -0.0817358  106 LEU   B HD22 
3138 H HD23 . LEU   B 94  ? 0.729699 0.407741 0.367573 -0.0133202  0.0540464   -0.0782659  106 LEU   B HD23 
3139 N N    . ILE   B 95  ? 0.483833 0.289921 0.274233 -0.0510925  0.0412902   -0.0427993  107 ILE   B N    
3140 C CA   . ILE   B 95  ? 0.435749 0.277027 0.256231 -0.0497373  0.0521114   -0.040268   107 ILE   B CA   
3141 C C    . ILE   B 95  ? 0.431127 0.288924 0.261256 -0.0378175  0.0653392   -0.0437986  107 ILE   B C    
3142 O O    . ILE   B 95  ? 0.455863 0.312717 0.290148 -0.0314079  0.0630073   -0.0439132  107 ILE   B O    
3143 C CB   . ILE   B 95  ? 0.43238  0.292822 0.283279 -0.0557191  0.0436134   -0.0362016  107 ILE   B CB   
3144 C CG1  . ILE   B 95  ? 0.455487 0.305981 0.307083 -0.0649364  0.0297479   -0.0324386  107 ILE   B CG1  
3145 C CG2  . ILE   B 95  ? 0.367268 0.257958 0.243268 -0.0531917  0.0512734   -0.0377994  107 ILE   B CG2  
3146 C CD1  . ILE   B 95  ? 0.434765 0.301148 0.316356 -0.0686794  0.0232381   -0.0284313  107 ILE   B CD1  
3147 H H    . ILE   B 95  ? 0.493572 0.291901 0.284342 -0.0491441  0.038489    -0.0440492  107 ILE   B H    
3148 H HA   . ILE   B 95  ? 0.447887 0.289605 0.263221 -0.0521373  0.0559525   -0.0389768  107 ILE   B HA   
3149 H HB   . ILE   B 95  ? 0.422538 0.281523 0.276816 -0.0539996  0.0416983   -0.0352827  107 ILE   B HB   
3150 H HG12 . ILE   B 95  ? 0.448733 0.302677 0.301218 -0.0662343  0.0314429   -0.0314282  107 ILE   B HG12 
3151 H HG13 . ILE   B 95  ? 0.473937 0.303072 0.305225 -0.066636   0.0229654   -0.0333299  107 ILE   B HG13 
3152 H HG21 . ILE   B 95  ? 0.36602  0.265604 0.255889 -0.0554931  0.0468437   -0.0366051  107 ILE   B HG21 
3153 H HG22 . ILE   B 95  ? 0.381412 0.272521 0.25619  -0.0554409  0.0552081   -0.0380687  107 ILE   B HG22 
3154 H HG23 . ILE   B 95  ? 0.374897 0.274583 0.254348 -0.0466784  0.0560631   -0.0399107  107 ILE   B HG23 
3155 H HD11 . ILE   B 95  ? 0.438732 0.30072  0.320398 -0.0686887  0.0229741   -0.0273105  107 ILE   B HD11 
3156 H HD12 . ILE   B 95  ? 0.439528 0.301694 0.325895 -0.0735352  0.0133407   -0.0261608  107 ILE   B HD12 
3157 H HD13 . ILE   B 95  ? 0.416332 0.301121 0.312696 -0.065687   0.0294056   -0.0289992  107 ILE   B HD13 
3158 N N    . LYS   B 96  ? 0.412287 0.287793 0.251034 -0.0349462  0.0791146   -0.0449879  108 LYS   B N    
3159 C CA   . LYS   B 96  ? 0.437634 0.337828 0.297343 -0.0237071  0.0892257   -0.0483193  108 LYS   B CA   
3160 C C    . LYS   B 96  ? 0.404161 0.334528 0.297215 -0.0247556  0.0810975   -0.0487077  108 LYS   B C    
3161 O O    . LYS   B 96  ? 0.393163 0.328248 0.295455 -0.034886   0.0740055   -0.0474638  108 LYS   B O    
3162 C CB   . LYS   B 96  ? 0.453001 0.365806 0.318442 -0.022986   0.107866    -0.0481522  108 LYS   B CB   
3163 C CG   . LYS   B 96  ? 0.51057  0.392583 0.332287 -0.0168795  0.121353    -0.0489774  108 LYS   B CG   
3164 C CD   . LYS   B 96  ? 0.5672   0.460863 0.38946  -0.0160789  0.146714    -0.0451631  108 LYS   B CD   
3165 C CE   . LYS   B 96  ? 0.611009 0.469787 0.378595 -0.00348839 0.160228    -0.0491832  108 LYS   B CE   
3166 N NZ   . LYS   B 96  ? 0.764575 0.642193 0.538849 -0.00141085 0.190449    -0.0431582  108 LYS   B NZ   
3167 H H    . LYS   B 96  ? 0.429308 0.301944 0.262985 -0.040469   0.0817909   -0.0427653  108 LYS   B H    
3168 H HA   . LYS   B 96  ? 0.445365 0.333234 0.293074 -0.0149366  0.0892319   -0.0503387  108 LYS   B HA   
3169 H HB2  . LYS   B 96  ? 0.445295 0.364934 0.321087 -0.0329648  0.107249    -0.0449369  108 LYS   B HB2  
3170 H HB3  . LYS   B 96  ? 0.446556 0.382311 0.335494 -0.0161137  0.113191    -0.0504218  108 LYS   B HB3  
3171 H HG2  . LYS   B 96  ? 0.527818 0.400922 0.340214 -0.00593049 0.121944    -0.0537091  108 LYS   B HG2  
3172 H HG3  . LYS   B 96  ? 0.527202 0.385496 0.324415 -0.0232139  0.111938    -0.0474781  108 LYS   B HG3  
3173 H HD2  . LYS   B 96  ? 0.553218 0.446458 0.376775 -0.0274197  0.146176    -0.0390066  108 LYS   B HD2  
3174 H HD3  . LYS   B 96  ? 0.542182 0.46514  0.398077 -0.0116764  0.155241    -0.0461799  108 LYS   B HD3  
3175 H HE2  . LYS   B 96  ? 0.647728 0.50164  0.412333 0.00838894  0.159521    -0.0561113  108 LYS   B HE2  
3176 H HE3  . LYS   B 96  ? 0.65951  0.489368 0.392782 -0.00850827 0.150122    -0.0484895  108 LYS   B HE3  
3177 H HZ1  . LYS   B 96  ? 0.705262 0.608763 0.510429 0.00589378  0.199914    -0.0454707  108 LYS   B HZ1  
3178 H HZ2  . LYS   B 96  ? 0.703666 0.590357 0.491466 -0.0134106  0.191058    -0.0355464  108 LYS   B HZ2  
3179 H HZ3  . LYS   B 96  ? 0.753853 0.608113 0.488404 0.00501065  0.199908    -0.0443516  108 LYS   B HZ3  
3180 N N    . PRO   B 97  ? 0.397861 0.348495 0.307788 -0.0123529  0.0810515   -0.051458   109 PRO   B N    
3181 C CA   . PRO   B 97  ? 0.398093 0.370641 0.326184 -0.0101861  0.0695667   -0.0529034  109 PRO   B CA   
3182 C C    . PRO   B 97  ? 0.364034 0.358646 0.317637 -0.0207928  0.0661081   -0.0576509  109 PRO   B C    
3183 O O    . PRO   B 97  ? 0.363219 0.361746 0.317581 -0.0229485  0.056051    -0.0600538  109 PRO   B O    
3184 C CB   . PRO   B 97  ? 0.429294 0.41634  0.366702 0.00735725  0.0679123   -0.0542993  109 PRO   B CB   
3185 C CG   . PRO   B 97  ? 0.439739 0.417796 0.372785 0.0146626   0.082299    -0.0551335  109 PRO   B CG   
3186 C CD   . PRO   B 97  ? 0.459734 0.40822  0.365827 0.00346193  0.0900158   -0.0535416  109 PRO   B CD   
3187 H HA   . PRO   B 97  ? 0.396185 0.355555 0.310687 -0.0118112  0.0643051   -0.0495447  109 PRO   B HA   
3188 H HB2  . PRO   B 97  ? 0.413062 0.425182 0.372939 0.00870142  0.0633568   -0.0583533  109 PRO   B HB2  
3189 H HB3  . PRO   B 97  ? 0.429386 0.404754 0.352254 0.0130913   0.0623961   -0.0505084  109 PRO   B HB3  
3190 H HG2  . PRO   B 97  ? 0.438678 0.441015 0.396454 0.0165859   0.0877488   -0.0581083  109 PRO   B HG2  
3191 H HG3  . PRO   B 97  ? 0.457303 0.424321 0.380296 0.0264233   0.0810847   -0.0539373  109 PRO   B HG3  
3192 H HD2  . PRO   B 97  ? 0.454066 0.407946 0.364045 0.00345466  0.101524    -0.0549069  109 PRO   B HD2  
3193 H HD3  . PRO   B 97  ? 0.46358  0.386198 0.346524 0.00702456  0.0882737   -0.0525079  109 PRO   B HD3  
3194 N N    . GLU   B 98  ? 0.390722 0.394979 0.362423 -0.0281227  0.0761427   -0.0584251  110 GLU   B N    
3195 C CA   . GLU   B 98  ? 0.383094 0.40329  0.383304 -0.0404611  0.0724922   -0.0624346  110 GLU   B CA   
3196 C C    . GLU   B 98  ? 0.365699 0.365457 0.351499 -0.0494937  0.0649734   -0.0615957  110 GLU   B C    
3197 O O    . GLU   B 98  ? 0.318936 0.327317 0.323461 -0.0551503  0.0562242   -0.0685219  110 GLU   B O    
3198 C CB   . GLU   B 98  ? 0.436849 0.466714 0.45812  -0.0485026  0.0892433   -0.0585562  110 GLU   B CB   
3199 C CG   . GLU   B 98  ? 0.4604   0.522222 0.51138  -0.0376038  0.0964182   -0.0612747  110 GLU   B CG   
3200 C CD   . GLU   B 98  ? 0.559202 0.610434 0.585439 -0.0205306  0.108084    -0.0586344  110 GLU   B CD   
3201 O OE1  . GLU   B 98  ? 0.501211 0.51699  0.483339 -0.0181836  0.113871    -0.0546958  110 GLU   B OE1  
3202 O OE2  . GLU   B 98  ? 0.688281 0.769196 0.744802 -0.00809419 0.108804    -0.0622726  110 GLU   B OE2  
3203 H H    . GLU   B 98  ? 0.396514 0.395144 0.361725 -0.0255505  0.086247    -0.0561001  110 GLU   B H    
3204 H HA   . GLU   B 98  ? 0.382817 0.422113 0.40054  -0.0364225  0.0635382   -0.0685227  110 GLU   B HA   
3205 H HB2  . GLU   B 98  ? 0.442351 0.45192  0.439623 -0.0498451  0.0983761   -0.0525213  110 GLU   B HB2  
3206 H HB3  . GLU   B 98  ? 0.427662 0.462608 0.467753 -0.0591002  0.0865967   -0.0597993  110 GLU   B HB3  
3207 H HG2  . GLU   B 98  ? 0.476176 0.552572 0.553013 -0.0454253  0.106266    -0.0593637  110 GLU   B HG2  
3208 H HG3  . GLU   B 98  ? 0.463925 0.542358 0.530956 -0.0332548  0.0828466   -0.0674691  110 GLU   B HG3  
3209 N N    . TYR   B 99  ? 0.333593 0.307072 0.289906 -0.0500705  0.0668759   -0.0546449  111 TYR   B N    
3210 C CA   . TYR   B 99  ? 0.344647 0.301889 0.293035 -0.0564987  0.0600684   -0.0523752  111 TYR   B CA   
3211 C C    . TYR   B 99  ? 0.345573 0.299924 0.282727 -0.0498816  0.0531725   -0.0517917  111 TYR   B C    
3212 O O    . TYR   B 99  ? 0.352684 0.297808 0.287803 -0.0530516  0.0488295   -0.0489384  111 TYR   B O    
3213 C CB   . TYR   B 99  ? 0.370615 0.303021 0.299906 -0.0634881  0.0640744   -0.0438163  111 TYR   B CB   
3214 C CG   . TYR   B 99  ? 0.367194 0.299079 0.304544 -0.0714808  0.0749659   -0.0398419  111 TYR   B CG   
3215 C CD1  . TYR   B 99  ? 0.396477 0.336564 0.333188 -0.0689484  0.0902143   -0.038131   111 TYR   B CD1  
3216 C CD2  . TYR   B 99  ? 0.374788 0.297623 0.323132 -0.0809304  0.0717926   -0.0367182  111 TYR   B CD2  
3217 C CE1  . TYR   B 99  ? 0.41153  0.354236 0.35934  -0.0774646  0.105122    -0.0314714  111 TYR   B CE1  
3218 C CE2  . TYR   B 99  ? 0.389454 0.309605 0.347843 -0.0906468  0.0838027   -0.0297335  111 TYR   B CE2  
3219 C CZ   . TYR   B 99  ? 0.416728 0.348984 0.375802 -0.0897973  0.101846    -0.0262689  111 TYR   B CZ   
3220 O OH   . TYR   B 99  ? 0.434838 0.365724 0.40504  -0.100423   0.118191    -0.0160999  111 TYR   B OH   
3221 H H    . TYR   B 99  ? 0.353652 0.319089 0.295905 -0.0457385  0.0717444   -0.0517387  111 TYR   B H    
3222 H HA   . TYR   B 99  ? 0.341779 0.306272 0.306295 -0.0602379  0.056663    -0.0567594  111 TYR   B HA   
3223 H HB2  . TYR   B 99  ? 0.373331 0.296101 0.284534 -0.0598461  0.0661737   -0.0416163  111 TYR   B HB2  
3224 H HB3  . TYR   B 99  ? 0.363753 0.287595 0.291336 -0.065918   0.057075    -0.0422348  111 TYR   B HB3  
3225 H HD1  . TYR   B 99  ? 0.391453 0.334809 0.320615 -0.0608484  0.0920639   -0.0406547  111 TYR   B HD1  
3226 H HD2  . TYR   B 99  ? 0.368518 0.286745 0.319455 -0.0804609  0.0622929   -0.0388676  111 TYR   B HD2  
3227 H HE1  . TYR   B 99  ? 0.420113 0.371526 0.36978  -0.074619   0.118438    -0.029903   111 TYR   B HE1  
3228 H HE2  . TYR   B 99  ? 0.402232 0.311713 0.367266 -0.0972428  0.0811536   -0.0264416  111 TYR   B HE2  
3230 N N    . ALA   B 100 ? 0.34704  0.310957 0.280505 -0.0402772  0.0530769   -0.0530105  112 ALA   B N    
3231 C CA   . ALA   B 100 ? 0.329711 0.291301 0.252332 -0.0343186  0.0506375   -0.0490267  112 ALA   B CA   
3232 C C    . ALA   B 100 ? 0.341842 0.322339 0.265938 -0.0239413  0.046492    -0.0549644  112 ALA   B C    
3233 O O    . ALA   B 100 ? 0.360808 0.350521 0.291927 -0.0243533  0.0421723   -0.0632204  112 ALA   B O    
3234 C CB   . ALA   B 100 ? 0.359843 0.302509 0.266017 -0.0324262  0.0531673   -0.0411034  112 ALA   B CB   
3235 H H    . ALA   B 100 ? 0.343355 0.315939 0.282104 -0.0367759  0.0553104   -0.0552003  112 ALA   B H    
3236 H HA   . ALA   B 100 ? 0.335651 0.293992 0.260766 -0.0384983  0.0494479   -0.04773    112 ALA   B HA   
3237 H HB1  . ALA   B 100 ? 0.357559 0.286983 0.260071 -0.0392433  0.0523447   -0.0386453  112 ALA   B HB1  
3238 H HB2  . ALA   B 100 ? 0.359868 0.302955 0.26386  -0.0276322  0.0554296   -0.0428726  112 ALA   B HB2  
3239 H HB3  . ALA   B 100 ? 0.358789 0.30067  0.260169 -0.028791   0.0529814   -0.0367595  112 ALA   B HB3  
3240 N N    . TYR   B 101 ? 0.334    0.317253 0.248504 -0.0130029  0.0455626   -0.051934   113 TYR   B N    
3241 C CA   . TYR   B 101 ? 0.367814 0.364901 0.274333 -0.00060589 0.0382576   -0.0554438  113 TYR   B CA   
3242 C C    . TYR   B 101 ? 0.371862 0.388144 0.293332 0.00764158  0.0295445   -0.0625707  113 TYR   B C    
3243 O O    . TYR   B 101 ? 0.386729 0.415063 0.300334 0.0193445   0.0180694   -0.0667203  113 TYR   B O    
3244 C CB   . TYR   B 101 ? 0.383515 0.367026 0.2638   0.00767829  0.0425902   -0.0420949  113 TYR   B CB   
3245 C CG   . TYR   B 101 ? 0.372534 0.346931 0.248958 -0.0005448  0.0518279   -0.0348724  113 TYR   B CG   
3246 C CD1  . TYR   B 101 ? 0.378809 0.362985 0.248463 0.00308172  0.0542616   -0.0389671  113 TYR   B CD1  
3247 C CD2  . TYR   B 101 ? 0.376433 0.333731 0.259002 -0.0113304  0.0572733   -0.0256934  113 TYR   B CD2  
3248 C CE1  . TYR   B 101 ? 0.351805 0.334142 0.225905 -0.00209918 0.065319    -0.03181    113 TYR   B CE1  
3249 C CE2  . TYR   B 101 ? 0.372152 0.32809  0.262507 -0.0192556  0.0637439   -0.0189028  113 TYR   B CE2  
3250 C CZ   . TYR   B 101 ? 0.395632 0.366922 0.285801 -0.0144638  0.0693228   -0.0213935  113 TYR   B CZ   
3251 O OH   . TYR   B 101 ? 0.363412 0.340422 0.268412 -0.0194113  0.0785134   -0.0149013  113 TYR   B OH   
3252 H H    . TYR   B 101 ? 0.347568 0.321352 0.257836 -0.0121079  0.0486855   -0.0475347  113 TYR   B H    
3253 H HA   . TYR   B 101 ? 0.362502 0.365561 0.27092  -0.0024862  0.0353762   -0.0620536  113 TYR   B HA   
3254 H HB2  . TYR   B 101 ? 0.386785 0.359592 0.264659 0.00934132  0.0446418   -0.0359368  113 TYR   B HB2  
3255 H HB3  . TYR   B 101 ? 0.395803 0.386826 0.264681 0.017619    0.0372673   -0.0436164  113 TYR   B HB3  
3256 H HD1  . TYR   B 101 ? 0.381048 0.373877 0.242699 0.0106426   0.0481962   -0.0471572  113 TYR   B HD1  
3257 H HD2  . TYR   B 101 ? 0.375025 0.32208  0.25765  -0.0127498  0.0558675   -0.0247174  113 TYR   B HD2  
3258 H HE1  . TYR   B 101 ? 0.37728  0.36686  0.246169 0.00279333  0.068947    -0.0357206  113 TYR   B HE1  
3259 H HE2  . TYR   B 101 ? 0.376698 0.321935 0.274082 -0.0274074  0.0639718   -0.0136548  113 TYR   B HE2  
3261 N N    . GLY   B 102 ? 0.348456 0.369903 0.292555 0.00181045  0.0347007   -0.064472   114 GLY   B N    
3262 C CA   . GLY   B 102 ? 0.361194 0.410103 0.336277 0.00588792  0.0290732   -0.0720916  114 GLY   B CA   
3263 C C    . GLY   B 102 ? 0.433687 0.490983 0.405458 0.025462    0.0222402   -0.068854   114 GLY   B C    
3264 O O    . GLY   B 102 ? 0.401987 0.436117 0.345302 0.0345593   0.026175    -0.0584743  114 GLY   B O    
3265 H H    . GLY   B 102 ? 0.350589 0.358878 0.291451 -0.00480239 0.0425853   -0.0604745  114 GLY   B H    
3266 H HA2  . GLY   B 102 ? 0.362917 0.412739 0.351919 -0.00049928 0.0383836   -0.0712897  114 GLY   B HA2  
3267 H HA3  . GLY   B 102 ? 0.367565 0.429151 0.354557 0.00223899  0.0200372   -0.0803478  114 GLY   B HA3  
3268 N N    . SER   B 103 ? 0.394578 0.484722 0.398564 0.031698    0.00924607  -0.0775759  115 SER   B N    
3269 C CA   . SER   B 103 ? 0.414841 0.516659 0.420749 0.0533305   -0.00139386 -0.0746486  115 SER   B CA   
3270 C C    . SER   B 103 ? 0.44067  0.528227 0.404126 0.0662995   -0.0162417  -0.0702419  115 SER   B C    
3271 O O    . SER   B 103 ? 0.465479 0.540537 0.409682 0.0836919   -0.0181352  -0.0596223  115 SER   B O    
3272 C CB   . SER   B 103 ? 0.442273 0.587113 0.501144 0.0578352   -0.0124429  -0.0838241  115 SER   B CB   
3273 O OG   . SER   B 103 ? 0.484151 0.649045 0.561797 0.0471032   -0.0309034  -0.0971572  115 SER   B OG   
3274 H H    . SER   B 103 ? 0.395673 0.500695 0.422666 0.0224121   0.00574425  -0.0851161  115 SER   B H    
3275 H HA   . SER   B 103 ? 0.423185 0.510284 0.420892 0.0585354   0.0101028   -0.0673311  115 SER   B HA   
3276 H HB2  . SER   B 103 ? 0.459059 0.610253 0.517138 0.0746036   -0.0215035  -0.0811132  115 SER   B HB2  
3277 H HB3  . SER   B 103 ? 0.432933 0.585474 0.515949 0.0521043   0.00198317  -0.0832571  115 SER   B HB3  
3279 N N    . ALA   B 104 ? 0.42268  0.507737 0.367021 0.0595312   -0.0246025  -0.0772298  116 ALA   B N    
3280 C CA   . ALA   B 104 ? 0.480731 0.552669 0.37796  0.0738933   -0.0351873  -0.0724338  116 ALA   B CA   
3281 C C    . ALA   B 104 ? 0.450318 0.487379 0.308892 0.0747206   -0.0159631  -0.0533147  116 ALA   B C    
3282 O O    . ALA   B 104 ? 0.461578 0.483654 0.282246 0.0900582   -0.0192632  -0.040724   116 ALA   B O    
3283 C CB   . ALA   B 104 ? 0.501491 0.578573 0.385345 0.0692483   -0.0471017  -0.0876991  116 ALA   B CB   
3284 H H    . ALA   B 104 ? 0.419365 0.509358 0.378257 0.0467966   -0.0226437  -0.0848492  116 ALA   B H    
3285 H HA   . ALA   B 104 ? 0.487128 0.568657 0.385236 0.0881911   -0.0482122  -0.0711454  116 ALA   B HA   
3286 H HB1  . ALA   B 104 ? 0.496759 0.594361 0.406637 0.0678424   -0.0622524  -0.100195   116 ALA   B HB1  
3287 H HB2  . ALA   B 104 ? 0.482708 0.551052 0.368447 0.0568867   -0.0350867  -0.0891107  116 ALA   B HB2  
3288 H HB3  . ALA   B 104 ? 0.52635  0.593767 0.37328  0.08066     -0.0519388  -0.0838851  116 ALA   B HB3  
3289 N N    . GLY   B 105 ? 0.461519 0.485169 0.329958 0.0580757   0.00239574  -0.0500653  117 GLY   B N    
3290 C CA   . GLY   B 105 ? 0.44949  0.443442 0.291232 0.0551839   0.0177297   -0.0332826  117 GLY   B CA   
3291 C C    . GLY   B 105 ? 0.478052 0.468632 0.291027 0.0552917   0.0214614   -0.030848   117 GLY   B C    
3292 O O    . GLY   B 105 ? 0.481813 0.488677 0.295524 0.0553999   0.0128024   -0.0461333  117 GLY   B O    
3293 H H    . GLY   B 105 ? 0.426779 0.459376 0.319191 0.0480292   0.00467574  -0.0576248  117 GLY   B H    
3294 H HA2  . GLY   B 105 ? 0.439855 0.426657 0.294553 0.0435539   0.0266819   -0.0330573  117 GLY   B HA2  
3295 H HA3  . GLY   B 105 ? 0.475333 0.45777  0.305572 0.0651779   0.0169955   -0.023517   117 GLY   B HA3  
3296 N N    . SER   B 106 ? 0.452442 0.420714 0.240657 0.0562397   0.0348345   -0.0116582  118 SER   B N    
3297 C CA   . SER   B 106 ? 0.471537 0.436847 0.228499 0.0601461   0.0445336   -0.00431696 118 SER   B CA   
3298 C C    . SER   B 106 ? 0.544893 0.48572  0.271334 0.0684672   0.0536344   0.0212467   118 SER   B C    
3299 O O    . SER   B 106 ? 0.607749 0.533498 0.337848 0.0571604   0.0715515   0.0375682   118 SER   B O    
3300 C CB   . SER   B 106 ? 0.439381 0.408527 0.215266 0.0440196   0.0595692   -0.00696303 118 SER   B CB   
3301 O OG   . SER   B 106 ? 0.435416 0.407579 0.183439 0.051172    0.0719898   -0.00278311 118 SER   B OG   
3302 H H    . SER   B 106 ? 0.46327  0.417193 0.255087 0.0542784   0.0391066   -0.00268956 118 SER   B H    
3303 H HA   . SER   B 106 ? 0.49116  0.467439 0.233663 0.0696616   0.0344557   -0.0142349  118 SER   B HA   
3304 H HB2  . SER   B 106 ? 0.410189 0.390053 0.205369 0.0387941   0.0529196   -0.0214495  118 SER   B HB2  
3305 H HB3  . SER   B 106 ? 0.424589 0.382971 0.213515 0.0345312   0.067303    0.00290844  118 SER   B HB3  
3307 N N    . LEU   B 107 ? 0.609261 0.546423 0.307873 0.0881374   0.0395071   0.0252085   119 LEU   B N    
3308 C CA   . LEU   B 107 ? 0.684155 0.591919 0.358327 0.0976439   0.0435098   0.0501812   119 LEU   B CA   
3309 C C    . LEU   B 107 ? 0.709225 0.601511 0.34061  0.100742    0.0628362   0.0727258   119 LEU   B C    
3310 O O    . LEU   B 107 ? 0.72461  0.630108 0.324112 0.10966     0.0646981   0.0670289   119 LEU   B O    
3311 C CB   . LEU   B 107 ? 0.768784 0.679206 0.431437 0.120346    0.0192434   0.0472899   119 LEU   B CB   
3312 C CG   . LEU   B 107 ? 0.820515 0.732076 0.524223 0.120501    0.0102153   0.0395529   119 LEU   B CG   
3313 C CD1  . LEU   B 107 ? 0.766862 0.716834 0.508997 0.116882    -0.00335616 0.012613    119 LEU   B CD1  
3314 C CD2  . LEU   B 107 ? 0.925095 0.817928 0.607658 0.14514     -0.00300401 0.0544347   119 LEU   B CD2  
3315 H H    . LEU   B 107 ? 0.610576 0.562718 0.30606  0.0960147   0.025596    0.0122727   119 LEU   B H    
3316 H HA   . LEU   B 107 ? 0.667532 0.562618 0.363577 0.0870084   0.0498285   0.0548115   119 LEU   B HA   
3317 H HB2  . LEU   B 107 ? 0.768536 0.699493 0.426014 0.126544    0.0068663   0.033165    119 LEU   B HB2  
3318 H HB3  . LEU   B 107 ? 0.811834 0.702698 0.442459 0.13139     0.0208036   0.0650073   119 LEU   B HB3  
3319 H HG   . LEU   B 107 ? 0.796196 0.692769 0.513933 0.107436    0.0228892   0.0440329   119 LEU   B HG   
3320 H HD11 . LEU   B 107 ? 0.745796 0.702925 0.498217 0.102292    0.0048237   0.00504563  119 LEU   B HD11 
3321 H HD12 . LEU   B 107 ? 0.756183 0.708076 0.52363  0.117747    -0.00512474 0.00904838  119 LEU   B HD12 
3322 H HD13 . LEU   B 107 ? 0.785382 0.750241 0.517225 0.128484    -0.0185854  0.00666054  119 LEU   B HD13 
3323 H HD21 . LEU   B 107 ? 0.934962 0.798996 0.594802 0.145025    0.00745282  0.0733932   119 LEU   B HD21 
3324 H HD22 . LEU   B 107 ? 0.926453 0.832886 0.591773 0.158607    -0.0175458  0.0511562   119 LEU   B HD22 
3325 H HD23 . LEU   B 107 ? 0.89312  0.788217 0.602205 0.148244    -0.00772688 0.0484762   119 LEU   B HD23 
3326 N N    . PRO   B 108 ? 0.747585 0.608029 0.372435 0.0958016   0.07763     0.0999652   120 PRO   B N    
3327 C CA   . PRO   B 108 ? 0.729914 0.565761 0.381998 0.0894902   0.0726817   0.105052    120 PRO   B CA   
3328 C C    . PRO   B 108 ? 0.704461 0.538233 0.402083 0.0631385   0.082526    0.0991228   120 PRO   B C    
3329 O O    . PRO   B 108 ? 0.698083 0.510024 0.414493 0.0584611   0.0766401   0.0975939   120 PRO   B O    
3330 C CB   . PRO   B 108 ? 0.795656 0.591579 0.413208 0.0965016   0.082722    0.138346    120 PRO   B CB   
3331 C CG   . PRO   B 108 ? 0.833548 0.638595 0.431858 0.0885735   0.107567    0.152286    120 PRO   B CG   
3332 C CD   . PRO   B 108 ? 0.796119 0.638387 0.380162 0.0990725   0.0996608   0.128562    120 PRO   B CD   
3333 H HA   . PRO   B 108 ? 0.72659  0.568831 0.384466 0.0999598   0.0563744   0.0934098   120 PRO   B HA   
3334 H HB2  . PRO   B 108 ? 0.800068 0.572936 0.435677 0.0866277   0.0861944   0.145668    120 PRO   B HB2  
3335 H HB3  . PRO   B 108 ? 0.828869 0.618824 0.419773 0.115598    0.0706815   0.142231    120 PRO   B HB3  
3336 H HG2  . PRO   B 108 ? 0.804315 0.610728 0.432711 0.0696587   0.120038    0.153984    120 PRO   B HG2  
3337 H HG3  . PRO   B 108 ? 0.873472 0.65818  0.439109 0.0963368   0.115732    0.174483    120 PRO   B HG3  
3338 H HD2  . PRO   B 108 ? 0.792354 0.648129 0.38311  0.0898981   0.115083    0.127217    120 PRO   B HD2  
3339 H HD3  . PRO   B 108 ? 0.839893 0.679255 0.383872 0.117089    0.092574    0.132671    120 PRO   B HD3  
3340 N N    . LYS   B 109 ? 0.670684 0.526554 0.384943 0.0480905   0.0954598   0.093795    121 LYS   B N    
3341 C CA   . LYS   B 109 ? 0.694656 0.548933 0.450864 0.0237559   0.102094    0.090932    121 LYS   B CA   
3342 C C    . LYS   B 109 ? 0.577362 0.435511 0.359994 0.0186124   0.0862345   0.0679146   121 LYS   B C    
3343 O O    . LYS   B 109 ? 0.594699 0.431918 0.397055 0.00524301  0.0836071   0.0672182   121 LYS   B O    
3344 C CB   . LYS   B 109 ? 0.732632 0.616253 0.500767 0.0157274   0.116899    0.088387    121 LYS   B CB   
3345 C CG   . LYS   B 109 ? 0.743193 0.631167 0.557136 -0.0084466  0.125154    0.0907883   121 LYS   B CG   
3346 C CD   . LYS   B 109 ? 0.826163 0.740399 0.648617 -0.0108625  0.14731     0.098831    121 LYS   B CD   
3347 C CE   . LYS   B 109 ? 0.86761  0.778522 0.727967 -0.0318052  0.163097    0.119765    121 LYS   B CE   
3348 N NZ   . LYS   B 109 ? 0.872867 0.812289 0.740991 -0.0301355  0.190601    0.131266    121 LYS   B NZ   
3349 H H    . LYS   B 109 ? 0.690788 0.562671 0.389338 0.0544217   0.0988824   0.0911741   121 LYS   B H    
3350 H HA   . LYS   B 109 ? 0.698461 0.529109 0.457097 0.0164756   0.108276    0.106853    121 LYS   B HA   
3351 H HB2  . LYS   B 109 ? 0.757083 0.640024 0.502289 0.0224869   0.128846    0.101989    121 LYS   B HB2  
3352 H HB3  . LYS   B 109 ? 0.705653 0.607984 0.473162 0.0216635   0.109175    0.0711917   121 LYS   B HB3  
3353 H HG2  . LYS   B 109 ? 0.721028 0.616338 0.552195 -0.0128873  0.114284    0.0746171   121 LYS   B HG2  
3354 H HG3  . LYS   B 109 ? 0.768273 0.634144 0.589553 -0.0171795  0.126378    0.103124    121 LYS   B HG3  
3355 H HD2  . LYS   B 109 ? 0.840318 0.755581 0.630424 0.0024227   0.155556    0.105511    121 LYS   B HD2  
3356 H HD3  . LYS   B 109 ? 0.786747 0.720372 0.622499 -0.0107524  0.143296    0.0830366   121 LYS   B HD3  
3357 H HE2  . LYS   B 109 ? 0.832434 0.745436 0.724305 -0.0442415  0.153032    0.111091    121 LYS   B HE2  
3358 H HE3  . LYS   B 109 ? 0.884906 0.771536 0.735363 -0.0344123  0.164968    0.134892    121 LYS   B HE3  
3359 H HZ1  . LYS   B 109 ? 0.851952 0.811819 0.731904 -0.0274726  0.188577    0.116903    121 LYS   B HZ1  
3360 H HZ2  . LYS   B 109 ? 0.903866 0.839885 0.736648 -0.0173812  0.200179    0.138793    121 LYS   B HZ2  
3361 H HZ3  . LYS   B 109 ? 0.88262  0.822291 0.779122 -0.0438682  0.200448    0.145362    121 LYS   B HZ3  
3362 N N    . ILE   B 110 ? 0.55652  0.439822 0.337926 0.0293118   0.0751139   0.0483773   122 ILE   B N    
3363 C CA   . ILE   B 110 ? 0.509858 0.398158 0.313484 0.0261092   0.0644802   0.0298716   122 ILE   B CA   
3364 C C    . ILE   B 110 ? 0.533461 0.427388 0.328612 0.0460622   0.0520243   0.0234868   122 ILE   B C    
3365 O O    . ILE   B 110 ? 0.496603 0.414428 0.283655 0.0572116   0.0440885   0.0164299   122 ILE   B O    
3366 C CB   . ILE   B 110 ? 0.49172  0.407873 0.316052 0.0166939   0.0632472   0.0124552   122 ILE   B CB   
3367 C CG1  . ILE   B 110 ? 0.492393 0.414241 0.327885 0.00291545  0.0742571   0.0175822   122 ILE   B CG1  
3368 C CG2  . ILE   B 110 ? 0.467089 0.382011 0.310781 0.0106085   0.0573633   -0.00088855 122 ILE   B CG2  
3369 C CD1  . ILE   B 110 ? 0.457143 0.359754 0.311445 -0.0143022  0.077288    0.0255731   122 ILE   B CD1  
3370 H H    . ILE   B 110 ? 0.560188 0.457104 0.326561 0.0382908   0.0746004   0.0467119   122 ILE   B H    
3371 H HA   . ILE   B 110 ? 0.521275 0.390397 0.332704 0.0179311   0.065824    0.0329154   122 ILE   B HA   
3372 H HB   . ILE   B 110 ? 0.488672 0.421081 0.306197 0.0256342   0.0585645   0.00582917  122 ILE   B HB   
3373 H HG12 . ILE   B 110 ? 0.501042 0.424848 0.322106 0.00827864  0.0813926   0.0266673   122 ILE   B HG12 
3374 H HG13 . ILE   B 110 ? 0.46286  0.400496 0.308421 0.0007918   0.0719045   0.00619025  122 ILE   B HG13 
3375 H HG21 . ILE   B 110 ? 0.447411 0.375199 0.302998 0.00356695  0.05717     -0.00888857 122 ILE   B HG21 
3376 H HG22 . ILE   B 110 ? 0.474094 0.369025 0.318673 0.00432099  0.0591918   0.00380391  122 ILE   B HG22 
3377 H HG23 . ILE   B 110 ? 0.469814 0.390173 0.312527 0.0206218   0.052141    -0.00584103 122 ILE   B HG23 
3378 H HD11 . ILE   B 110 ? 0.45183  0.351713 0.315297 -0.0190293  0.0705028   0.0159832   122 ILE   B HD11 
3379 H HD12 . ILE   B 110 ? 0.462335 0.374016 0.328421 -0.0213521  0.0840853   0.0298487   122 ILE   B HD12 
3380 H HD13 . ILE   B 110 ? 0.488441 0.371434 0.334204 -0.0134003  0.0786728   0.0360342   122 ILE   B HD13 
3381 N N    . PRO   B 111 ? 0.521313 0.395279 0.321492 0.0517047   0.0484764   0.023052    123 PRO   B N    
3382 C CA   . PRO   B 111 ? 0.495864 0.379854 0.297907 0.0727219   0.0374818   0.0173073   123 PRO   B CA   
3383 C C    . PRO   B 111 ? 0.458247 0.380989 0.288632 0.0717987   0.0317903   -0.00284971 123 PRO   B C    
3384 O O    . PRO   B 111 ? 0.430061 0.361653 0.275426 0.0546013   0.0377444   -0.0119162  123 PRO   B O    
3385 C CB   . PRO   B 111 ? 0.560334 0.409725 0.363623 0.0772131   0.0400945   0.0197196   123 PRO   B CB   
3386 C CG   . PRO   B 111 ? 0.585787 0.399188 0.380574 0.0580084   0.048883    0.0303487   123 PRO   B CG   
3387 C CD   . PRO   B 111 ? 0.560237 0.397548 0.362691 0.039792    0.0542564   0.0292674   123 PRO   B CD   
3388 H HA   . PRO   B 111 ? 0.531662 0.416031 0.316552 0.0844341   0.0324534   0.02543     123 PRO   B HA   
3389 H HB2  . PRO   B 111 ? 0.535423 0.394886 0.354796 0.0768319   0.0407565   0.00743053  123 PRO   B HB2  
3390 H HB3  . PRO   B 111 ? 0.578274 0.417818 0.372151 0.0931917   0.0350308   0.0265526   123 PRO   B HB3  
3391 H HG2  . PRO   B 111 ? 0.583291 0.38119  0.383687 0.0534355   0.0499045   0.0233167   123 PRO   B HG2  
3392 H HG3  . PRO   B 111 ? 0.614006 0.404743 0.393927 0.0624958   0.0495906   0.0447127   123 PRO   B HG3  
3393 H HD2  . PRO   B 111 ? 0.531855 0.37346  0.347514 0.0290552   0.0551277   0.0195214   123 PRO   B HD2  
3394 H HD3  . PRO   B 111 ? 0.56753  0.39155  0.363139 0.0326594   0.059759    0.0421124   123 PRO   B HD3  
3395 N N    . SER   B 112 ? 0.486846 0.430776 0.328338 0.0900717   0.0199439   -0.00831488 124 SER   B N    
3396 C CA   . SER   B 112 ? 0.51974  0.501548 0.39909  0.0885657   0.0157232   -0.0255693  124 SER   B CA   
3397 C C    . SER   B 112 ? 0.487171 0.460292 0.383215 0.0784692   0.0309465   -0.0312735  124 SER   B C    
3398 O O    . SER   B 112 ? 0.461404 0.404461 0.345093 0.0857763   0.0373679   -0.0257769  124 SER   B O    
3399 C CB   . SER   B 112 ? 0.571317 0.575152 0.465496 0.111568    0.00027697  -0.0273601  124 SER   B CB   
3400 O OG   . SER   B 112 ? 0.736223 0.781443 0.677222 0.108776    -0.00290545 -0.0424335  124 SER   B OG   
3401 H H    . SER   B 112 ? 0.519996 0.455324 0.347609 0.10378     0.0140156   -0.00012471 124 SER   B H    
3402 H HA   . SER   B 112 ? 0.494925 0.492152 0.377903 0.0793716   0.0127156   -0.0316988  124 SER   B HA   
3403 H HB2  . SER   B 112 ? 0.61546  0.622144 0.492305 0.118253    -0.011175   -0.0239216  124 SER   B HB2  
3404 H HB3  . SER   B 112 ? 0.616872 0.602938 0.506084 0.122814    0.00323115  -0.0209189  124 SER   B HB3  
3406 N N    . ASN   B 113 ? 0.431817 0.425837 0.350458 0.0626858   0.0362419   -0.0418446  125 ASN   B N    
3407 C CA   . ASN   B 113 ? 0.450403 0.442042 0.382351 0.0567106   0.0507556   -0.0472435  125 ASN   B CA   
3408 C C    . ASN   B 113 ? 0.473311 0.420081 0.373402 0.049415    0.0593393   -0.0418653  125 ASN   B C    
3409 O O    . ASN   B 113 ? 0.477334 0.406912 0.371361 0.0553533   0.0690757   -0.045029   125 ASN   B O    
3410 C CB   . ASN   B 113 ? 0.470638 0.483104 0.429091 0.075881    0.0534673   -0.0512475  125 ASN   B CB   
3411 C CG   . ASN   B 113 ? 0.401271 0.463359 0.402468 0.0800351   0.0417082   -0.0579888  125 ASN   B CG   
3412 O OD1  . ASN   B 113 ? 0.455015 0.535498 0.473253 0.100547    0.0307744   -0.0577165  125 ASN   B OD1  
3413 N ND2  . ASN   B 113 ? 0.382003 0.46563  0.405738 0.0612799   0.0432701   -0.0644833  125 ASN   B ND2  
3414 H H    . ASN   B 113 ? 0.432967 0.440938 0.355905 0.0560423   0.0309146   -0.04536    125 ASN   B H    
3415 H HA   . ASN   B 113 ? 0.43016  0.436982 0.376173 0.0448384   0.0527166   -0.0521793  125 ASN   B HA   
3416 H HB2  . ASN   B 113 ? 0.474777 0.470401 0.419452 0.0895248   0.0502274   -0.0463224  125 ASN   B HB2  
3417 H HB3  . ASN   B 113 ? 0.45509  0.463997 0.417447 0.0732443   0.066488    -0.0543336  125 ASN   B HB3  
3418 H HD21 . ASN   B 113 ? 0.376072 0.487811 0.428078 0.0611983   0.0352983   -0.0695083  125 ASN   B HD21 
3419 H HD22 . ASN   B 113 ? 0.375232 0.444611 0.387357 0.0486892   0.0512942   -0.0638189  125 ASN   B HD22 
3420 N N    . ALA   B 114 ? 0.451347 0.380433 0.332887 0.0375662   0.055324    -0.0348191  126 ALA   B N    
3421 C CA   . ALA   B 114 ? 0.490175 0.380268 0.350054 0.0280334   0.0584619   -0.0297338  126 ALA   B CA   
3422 C C    . ALA   B 114 ? 0.469283 0.355252 0.329142 0.0120431   0.0628414   -0.03611    126 ALA   B C    
3423 O O    . ALA   B 114 ? 0.422033 0.329273 0.295034 0.00187723  0.0623571   -0.0385763  126 ALA   B O    
3424 C CB   . ALA   B 114 ? 0.513157 0.393264 0.363071 0.0215347   0.0545654   -0.0177628  126 ALA   B CB   
3425 H H    . ALA   B 114 ? 0.452426 0.395305 0.336849 0.0354314   0.0502788   -0.0337811  126 ALA   B H    
3426 H HA   . ALA   B 114 ? 0.508274 0.379132 0.359393 0.0373781   0.0600473   -0.0295184  126 ALA   B HA   
3427 H HB1  . ALA   B 114 ? 0.522167 0.400071 0.365846 0.0325557   0.0522066   -0.0117287  126 ALA   B HB1  
3428 H HB2  . ALA   B 114 ? 0.489217 0.387948 0.346591 0.0151266   0.0538875   -0.0191511  126 ALA   B HB2  
3429 H HB3  . ALA   B 114 ? 0.51771  0.37438  0.36009  0.0131534   0.0553239   -0.0142876  126 ALA   B HB3  
3430 N N    . THR   B 115 ? 0.461684 0.313664 0.301551 0.0101813   0.0649605   -0.0386571  127 THR   B N    
3431 C CA   . THR   B 115 ? 0.445919 0.284082 0.274728 -0.0047223  0.0638876   -0.0421169  127 THR   B CA   
3432 C C    . THR   B 115 ? 0.441798 0.260085 0.26777  -0.0185531  0.0530491   -0.0350196  127 THR   B C    
3433 O O    . THR   B 115 ? 0.482482 0.277371 0.302048 -0.0162149  0.0496693   -0.0299626  127 THR   B O    
3434 C CB   . THR   B 115 ? 0.474233 0.282616 0.276024 0.00330713  0.0696679   -0.0506473  127 THR   B CB   
3435 O OG1  . THR   B 115 ? 0.482316 0.315527 0.293158 0.0138734   0.0845229   -0.0556836  127 THR   B OG1  
3436 C CG2  . THR   B 115 ? 0.524479 0.309878 0.302643 -0.00950478 0.064462    -0.0542458  127 THR   B CG2  
3437 H H    . THR   B 115 ? 0.486259 0.320958 0.316879 0.0195442   0.0655725   -0.0387305  127 THR   B H    
3438 H HA   . THR   B 115 ? 0.427432 0.286291 0.267453 -0.0095913  0.0662158   -0.0433288  127 THR   B HA   
3439 H HB   . THR   B 115 ? 0.506195 0.292788 0.2982   0.0105942   0.0675074   -0.0509674  127 THR   B HB   
3441 H HG21 . THR   B 115 ? 0.542769 0.308067 0.297787 -0.00243916 0.0690778   -0.0608428  127 THR   B HG21 
3442 H HG22 . THR   B 115 ? 0.495407 0.299916 0.282502 -0.0153072  0.0671366   -0.0526569  127 THR   B HG22 
3443 H HG23 . THR   B 115 ? 0.517534 0.28804  0.294153 -0.0184306  0.0532638   -0.0514661  127 THR   B HG23 
3444 N N    . LEU   B 116 ? 0.450106 0.274893 0.283016 -0.0329183  0.0475608   -0.034104   128 LEU   B N    
3445 C CA   . LEU   B 116 ? 0.44312  0.259755 0.286433 -0.0467994  0.0378189   -0.0269724  128 LEU   B CA   
3446 C C    . LEU   B 116 ? 0.448873 0.244025 0.280194 -0.0575822  0.0255109   -0.0319385  128 LEU   B C    
3447 O O    . LEU   B 116 ? 0.487561 0.284003 0.304592 -0.0559605  0.026783    -0.0376729  128 LEU   B O    
3448 C CB   . LEU   B 116 ? 0.420565 0.271435 0.290298 -0.0513187  0.0402263   -0.0212765  128 LEU   B CB   
3449 C CG   . LEU   B 116 ? 0.467302 0.343042 0.343784 -0.0404094  0.0490788   -0.0184493  128 LEU   B CG   
3450 C CD1  . LEU   B 116 ? 0.457632 0.355974 0.353102 -0.044873   0.0516906   -0.0128737  128 LEU   B CD1  
3451 C CD2  . LEU   B 116 ? 0.462333 0.325749 0.326863 -0.0299962  0.0520398   -0.0134622  128 LEU   B CD2  
3452 H H    . LEU   B 116 ? 0.433137 0.269019 0.267301 -0.033935   0.0502003   -0.0374115  128 LEU   B H    
3453 H HA   . LEU   B 116 ? 0.458952 0.26124  0.300738 -0.0460555  0.0369576   -0.0224914  128 LEU   B HA   
3454 H HB2  . LEU   B 116 ? 0.421089 0.279745 0.292746 -0.0537002  0.0388235   -0.0253453  128 LEU   B HB2  
3455 H HB3  . LEU   B 116 ? 0.433905 0.281904 0.314687 -0.0595496  0.0360474   -0.0156572  128 LEU   B HB3  
3456 H HG   . LEU   B 116 ? 0.441224 0.328897 0.317854 -0.0358732  0.0509573   -0.0248962  128 LEU   B HG   
3457 H HD11 . LEU   B 116 ? 0.443678 0.34991  0.347411 -0.0488297  0.049148    -0.0173135  128 LEU   B HD11 
3458 H HD12 . LEU   B 116 ? 0.452295 0.363371 0.34517  -0.0368313  0.0560954   -0.0125362  128 LEU   B HD12 
3459 H HD13 . LEU   B 116 ? 0.463707 0.354839 0.365309 -0.0509771  0.0515912   -0.00530244 128 LEU   B HD13 
3460 H HD21 . LEU   B 116 ? 0.474249 0.332737 0.330649 -0.022738   0.0526491   -0.0192668  128 LEU   B HD21 
3461 H HD22 . LEU   B 116 ? 0.485752 0.329642 0.348021 -0.035453   0.0499389   -0.00766879 128 LEU   B HD22 
3462 H HD23 . LEU   B 116 ? 0.464742 0.343217 0.331526 -0.0241138  0.0552318   -0.00982381 128 LEU   B HD23 
3463 N N    . PHE   B 117 ? 0.461406 0.239598 0.301851 -0.0698327  0.0127334   -0.0279001  129 PHE   B N    
3464 C CA   . PHE   B 117 ? 0.493617 0.255152 0.329059 -0.0814388  -0.00592265 -0.0321151  129 PHE   B CA   
3465 C C    . PHE   B 117 ? 0.50125  0.285825 0.379372 -0.094877   -0.0140938  -0.0226223  129 PHE   B C    
3466 O O    . PHE   B 117 ? 0.484265 0.277913 0.389134 -0.0999346  -0.00816819 -0.0127417  129 PHE   B O    
3467 C CB   . PHE   B 117 ? 0.534331 0.248802 0.341608 -0.083436   -0.0184257  -0.0405974  129 PHE   B CB   
3468 C CG   . PHE   B 117 ? 0.608293 0.301693 0.410185 -0.0969695  -0.0451621  -0.0463683  129 PHE   B CG   
3469 C CD1  . PHE   B 117 ? 0.657274 0.355339 0.499615 -0.114689   -0.061628   -0.0397757  129 PHE   B CD1  
3470 C CD2  . PHE   B 117 ? 0.673133 0.344098 0.429701 -0.0914385  -0.0541186  -0.0575552  129 PHE   B CD2  
3471 C CE1  . PHE   B 117 ? 0.702322 0.384906 0.544772 -0.126705   -0.0911603  -0.0461579  129 PHE   B CE1  
3472 C CE2  . PHE   B 117 ? 0.68135  0.331429 0.42698  -0.101843   -0.0834896  -0.0634413  129 PHE   B CE2  
3473 C CZ   . PHE   B 117 ? 0.698842 0.357393 0.490745 -0.119408   -0.10388    -0.0582895  129 PHE   B CZ   
3474 H H    . PHE   B 117 ? 0.466782 0.244059 0.318209 -0.0712474  0.0149239   -0.0216639  129 PHE   B H    
3475 H HA   . PHE   B 117 ? 0.492363 0.257044 0.313576 -0.0779015  -0.00530886 -0.0362342  129 PHE   B HA   
3476 H HB2  . PHE   B 117 ? 0.560241 0.26181  0.338957 -0.0724538  -0.0114318  -0.0477904  129 PHE   B HB2  
3477 H HB3  . PHE   B 117 ? 0.55023  0.258441 0.370123 -0.0858418  -0.0165887  -0.0356057  129 PHE   B HB3  
3478 H HD1  . PHE   B 117 ? 0.630572 0.343666 0.501907 -0.118581   -0.052923   -0.030305   129 PHE   B HD1  
3479 H HD2  . PHE   B 117 ? 0.660504 0.330589 0.39283  -0.0801515  -0.0403334  -0.0607026  129 PHE   B HD2  
3480 H HE1  . PHE   B 117 ? 0.687862 0.378308 0.565922 -0.139639   -0.102534   -0.0412519  129 PHE   B HE1  
3481 H HE2  . PHE   B 117 ? 0.72005  0.352659 0.428008 -0.0965659  -0.0891962  -0.0701086  129 PHE   B HE2  
3482 H HZ   . PHE   B 117 ? 0.726051 0.371877 0.513918 -0.126536   -0.126951   -0.0630508  129 PHE   B HZ   
3483 N N    . PHE   B 118 ? 0.473015 0.263994 0.357184 -0.100369   -0.0283145  -0.0244377  130 PHE   B N    
3484 C CA   . PHE   B 118 ? 0.466225 0.28194  0.397338 -0.111177   -0.0377481  -0.0164335  130 PHE   B CA   
3485 C C    . PHE   B 118 ? 0.527921 0.328682 0.458384 -0.120129   -0.0669956  -0.0210107  130 PHE   B C    
3486 O O    . PHE   B 118 ? 0.571448 0.351255 0.460743 -0.114319   -0.0758347  -0.0284364  130 PHE   B O    
3487 C CB   . PHE   B 118 ? 0.40281  0.257791 0.361563 -0.105074   -0.0261999  -0.0111261  130 PHE   B CB   
3488 C CG   . PHE   B 118 ? 0.38034  0.256341 0.34379  -0.0958565  -0.00124839 -0.00718503 130 PHE   B CG   
3489 C CD1  . PHE   B 118 ? 0.379761 0.252484 0.313457 -0.0845055  0.00988385  -0.013369   130 PHE   B CD1  
3490 C CD2  . PHE   B 118 ? 0.414591 0.315187 0.412516 -0.0981561  0.010399    0.0029002   130 PHE   B CD2  
3491 C CE1  . PHE   B 118 ? 0.383701 0.275728 0.32009  -0.0752971  0.0265876   -0.0117936  130 PHE   B CE1  
3492 C CE2  . PHE   B 118 ? 0.396585 0.313331 0.388352 -0.087224   0.0304948   0.00530965  130 PHE   B CE2  
3493 C CZ   . PHE   B 118 ? 0.371914 0.282464 0.331611 -0.0759973  0.0356626   -0.00284479 130 PHE   B CZ   
3494 H H    . PHE   B 118 ? 0.491927 0.272043 0.350981 -0.0963259  -0.0316651  -0.0299922  130 PHE   B H    
3495 H HA   . PHE   B 118 ? 0.468213 0.285673 0.419185 -0.117258   -0.0346576  -0.0107942  130 PHE   B HA   
3496 H HB2  . PHE   B 118 ? 0.410157 0.260875 0.351136 -0.100299   -0.0295111  -0.0152843  130 PHE   B HB2  
3497 H HB3  . PHE   B 118 ? 0.405447 0.275487 0.396903 -0.111322   -0.0334179  -0.00646732 130 PHE   B HB3  
3498 H HD1  . PHE   B 118 ? 0.393777 0.251818 0.305703 -0.0829711  0.00547908  -0.0186797  130 PHE   B HD1  
3499 H HD2  . PHE   B 118 ? 0.405086 0.312716 0.430662 -0.106666   0.00446587  0.00807059  130 PHE   B HD2  
3500 H HE1  . PHE   B 118 ? 0.373944 0.265982 0.295472 -0.0685187  0.0315904   -0.0164532  130 PHE   B HE1  
3501 H HE2  . PHE   B 118 ? 0.391045 0.322442 0.399982 -0.0875527  0.0405462   0.0129895   130 PHE   B HE2  
3502 H HZ   . PHE   B 118 ? 0.372821 0.294007 0.327903 -0.0684575  0.0458899   -0.00206778 130 PHE   B HZ   
3503 N N    . GLU   B 119 ? 0.53368  0.346061 0.511109 -0.134454   -0.0816362  -0.0153718  131 GLU   B N    
3504 C CA   . GLU   B 119 ? 0.55274  0.368371 0.549753 -0.142034   -0.111806   -0.0171105  131 GLU   B CA   
3505 C C    . GLU   B 119 ? 0.524754 0.39     0.579687 -0.13984    -0.103715   -0.0064544  131 GLU   B C    
3506 O O    . GLU   B 119 ? 0.564291 0.457173 0.662754 -0.144281   -0.0852114  0.00308128  131 GLU   B O    
3507 C CB   . GLU   B 119 ? 0.617225 0.41214  0.634093 -0.160662   -0.136561   -0.0200937  131 GLU   B CB   
3508 C CG   . GLU   B 119 ? 0.69216  0.493677 0.74023  -0.171204   -0.174965   -0.022516   131 GLU   B CG   
3509 C CD   . GLU   B 119 ? 0.729181 0.503556 0.79418  -0.191974   -0.20205    -0.0287086  131 GLU   B CD   
3510 O OE1  . GLU   B 119 ? 0.761679 0.483611 0.771139 -0.193552   -0.224768   -0.0447436  131 GLU   B OE1  
3511 O OE2  . GLU   B 119 ? 0.732085 0.538037 0.870046 -0.207482   -0.196726   -0.0166159  131 GLU   B OE2  
3512 H H    . GLU   B 119 ? 0.528158 0.347567 0.527834 -0.139605   -0.0727143  -0.00941178 131 GLU   B H    
3513 H HA   . GLU   B 119 ? 0.574788 0.372299 0.53362  -0.135475   -0.120712   -0.0234232  131 GLU   B HA   
3514 H HB2  . GLU   B 119 ? 0.650337 0.409543 0.624788 -0.159263   -0.140635   -0.0289241  131 GLU   B HB2  
3515 H HB3  . GLU   B 119 ? 0.607844 0.418274 0.660072 -0.16756    -0.12386    -0.0117466  131 GLU   B HB3  
3516 H HG2  . GLU   B 119 ? 0.650673 0.489754 0.747927 -0.172294   -0.170628   -0.0135213  131 GLU   B HG2  
3517 H HG3  . GLU   B 119 ? 0.694228 0.47918  0.703365 -0.16324    -0.187933   -0.0291269  131 GLU   B HG3  
3518 N N    . ILE   B 120 ? 0.500704 0.374319 0.554598 -0.131911   -0.11698    -0.00728269 132 ILE   B N    
3519 C CA   . ILE   B 120 ? 0.477707 0.394247 0.582815 -0.124904   -0.108536   0.0005183   132 ILE   B CA   
3520 C C    . ILE   B 120 ? 0.472755 0.39766  0.608707 -0.127441   -0.143503   0.00160226  132 ILE   B C    
3521 O O    . ILE   B 120 ? 0.492265 0.386064 0.58515  -0.12527    -0.168764   -0.00365155 132 ILE   B O    
3522 C CB   . ILE   B 120 ? 0.472719 0.390231 0.54847  -0.108214   -0.0880097  -0.00091776 132 ILE   B CB   
3523 C CG1  . ILE   B 120 ? 0.470541 0.378502 0.51199  -0.104575   -0.0599742  -0.00391171 132 ILE   B CG1  
3524 C CG2  . ILE   B 120 ? 0.493295 0.450451 0.621647 -0.0988762  -0.0792228  0.00437868  132 ILE   B CG2  
3525 C CD1  . ILE   B 120 ? 0.438892 0.345177 0.45355  -0.0918765  -0.0441068  -0.00734279 132 ILE   B CD1  
3526 H H    . ILE   B 120 ? 0.531135 0.380716 0.549097 -0.129595   -0.131284   -0.012706   132 ILE   B H    
3527 H HA   . ILE   B 120 ? 0.459655 0.398884 0.600574 -0.128848   -0.0944882  0.0060372   132 ILE   B HA   
3528 H HB   . ILE   B 120 ? 0.497914 0.394377 0.54238  -0.105127   -0.100987   -0.00368967 132 ILE   B HB   
3529 H HG12 . ILE   B 120 ? 0.4501   0.376589 0.516984 -0.106348   -0.0467941  0.00011012  132 ILE   B HG12 
3530 H HG13 . ILE   B 120 ? 0.482029 0.365522 0.494357 -0.10898    -0.0656499  -0.00754109 132 ILE   B HG13 
3531 H HG21 . ILE   B 120 ? 0.470242 0.424599 0.58071  -0.089441   -0.0675096  0.0021144   132 ILE   B HG21 
3532 H HG22 . ILE   B 120 ? 0.465861 0.445281 0.625449 -0.101603   -0.065694   0.00813175  132 ILE   B HG22 
3533 H HG23 . ILE   B 120 ? 0.489141 0.451239 0.63766  -0.0988298  -0.0988499  0.00618878  132 ILE   B HG23 
3534 H HD11 . ILE   B 120 ? 0.460388 0.348418 0.450788 -0.0905511  -0.0547007  -0.0088599  132 ILE   B HD11 
3535 H HD12 . ILE   B 120 ? 0.439004 0.34064  0.435225 -0.090336   -0.030332   -0.00969866 132 ILE   B HD12 
3536 H HD13 . ILE   B 120 ? 0.429366 0.356539 0.470007 -0.0864393  -0.0374642  -0.00561177 132 ILE   B HD13 
3537 N N    . GLU   B 121 ? 0.537006 0.506777 0.748017 -0.129497   -0.142898   0.00943101  133 GLU   B N    
3538 C CA   . GLU   B 121 ? 0.530663 0.520571 0.785843 -0.127224   -0.173683   0.0120076   133 GLU   B CA   
3539 C C    . GLU   B 121 ? 0.514843 0.53924  0.804997 -0.108411   -0.155936   0.0172046   133 GLU   B C    
3540 O O    . GLU   B 121 ? 0.528414 0.590185 0.864081 -0.105329   -0.125646   0.0222078   133 GLU   B O    
3541 C CB   . GLU   B 121 ? 0.541997 0.561269 0.871786 -0.146444   -0.188874   0.0166203   133 GLU   B CB   
3542 C CG   . GLU   B 121 ? 0.563089 0.608018 0.94885  -0.145362   -0.227658   0.0186268   133 GLU   B CG   
3543 C CD   . GLU   B 121 ? 0.584378 0.663778 1.05621  -0.167006   -0.245412   0.0232481   133 GLU   B CD   
3544 O OE1  . GLU   B 121 ? 0.556726 0.629302 1.03814  -0.186804   -0.233362   0.0247141   133 GLU   B OE1  
3545 O OE2  . GLU   B 121 ? 0.565554 0.679165 1.0989   -0.16319    -0.273019   0.0263498   133 GLU   B OE2  
3546 H H    . GLU   B 121 ? 0.491755 0.481692 0.728475 -0.131391   -0.121594   0.0139506   133 GLU   B H    
3547 H HA   . GLU   B 121 ? 0.564234 0.52546  0.779849 -0.125469   -0.196722   0.00745315  133 GLU   B HA   
3548 H HB2  . GLU   B 121 ? 0.562252 0.554795 0.867905 -0.15869    -0.199116   0.0120166   133 GLU   B HB2  
3549 H HB3  . GLU   B 121 ? 0.518636 0.566547 0.885738 -0.147495   -0.162787   0.0232287   133 GLU   B HB3  
3550 H HG2  . GLU   B 121 ? 0.546957 0.616978 0.957309 -0.131286   -0.216688   0.02298     133 GLU   B HG2  
3551 H HG3  . GLU   B 121 ? 0.593936 0.607476 0.935664 -0.143107   -0.254299   0.0126829   133 GLU   B HG3  
3552 N N    . LEU   B 122 ? 0.606107 0.61382  0.871261 -0.0947392  -0.175249   0.016262    134 LEU   B N    
3553 C CA   . LEU   B 122 ? 0.604252 0.635049 0.898995 -0.0750219  -0.163124   0.0195471   134 LEU   B CA   
3554 C C    . LEU   B 122 ? 0.576541 0.650643 0.954631 -0.0721778  -0.185533   0.0254059   134 LEU   B C    
3555 O O    . LEU   B 122 ? 0.60456  0.668043 0.983714 -0.0728553  -0.226183   0.0267306   134 LEU   B O    
3556 C CB   . LEU   B 122 ? 0.650066 0.639265 0.882499 -0.0621316  -0.172056   0.0187207   134 LEU   B CB   
3557 C CG   . LEU   B 122 ? 0.59137  0.592349 0.845794 -0.0413279  -0.157635   0.0202076   134 LEU   B CG   
3558 C CD1  . LEU   B 122 ? 0.547894 0.572202 0.81878  -0.0370377  -0.116186   0.0148533   134 LEU   B CD1  
3559 C CD2  . LEU   B 122 ? 0.611588 0.563981 0.800487 -0.034704   -0.165918   0.0220428   134 LEU   B CD2  
3560 H H    . LEU   B 122 ? 0.615158 0.593866 0.841778 -0.0970053  -0.196061   0.0137017   134 LEU   B H    
3561 H HA   . LEU   B 122 ? 0.575496 0.621017 0.878858 -0.0719232  -0.133825   0.0188005   134 LEU   B HA   
3562 H HB2  . LEU   B 122 ? 0.63265  0.59714  0.816756 -0.0664061  -0.159205   0.015265    134 LEU   B HB2  
3563 H HB3  . LEU   B 122 ? 0.660281 0.635179 0.882256 -0.0631628  -0.201277   0.020776    134 LEU   B HB3  
3564 H HG   . LEU   B 122 ? 0.600927 0.6245   0.901937 -0.0345145  -0.172568   0.0238929   134 LEU   B HG   
3565 H HD11 . LEU   B 122 ? 0.537765 0.595219 0.854794 -0.0392871  -0.109767   0.016517    134 LEU   B HD11 
3566 H HD12 . LEU   B 122 ? 0.550723 0.572583 0.823549 -0.0236268  -0.108655   0.0130979   134 LEU   B HD12 
3567 H HD13 . LEU   B 122 ? 0.545073 0.552567 0.777614 -0.0447522  -0.103887   0.0115405   134 LEU   B HD13 
3568 H HD21 . LEU   B 122 ? 0.641727 0.576772 0.811143 -0.0376008  -0.191527   0.0257472   134 LEU   B HD21 
3569 H HD22 . LEU   B 122 ? 0.606949 0.542386 0.757894 -0.0402117  -0.148633   0.0184326   134 LEU   B HD22 
3570 H HD23 . LEU   B 122 ? 0.615659 0.569674 0.819171 -0.021575   -0.162814   0.0235376   134 LEU   B HD23 
3571 N N    . LEU   B 123 ? 0.568324 0.691831 1.01413  -0.0669578  -0.157792   0.028987    135 LEU   B N    
3572 C CA   . LEU   B 123 ? 0.587096 0.764231 1.12852  -0.0643513  -0.171327   0.0356123   135 LEU   B CA   
3573 C C    . LEU   B 123 ? 0.644939 0.830298 1.20589  -0.0365101  -0.179638   0.0361665   135 LEU   B C    
3574 O O    . LEU   B 123 ? 0.599278 0.794765 1.19621  -0.0308648  -0.218473   0.0399539   135 LEU   B O    
3575 C CB   . LEU   B 123 ? 0.540759 0.766    1.14158  -0.0709335  -0.131248   0.0411584   135 LEU   B CB   
3576 C CG   . LEU   B 123 ? 0.549777 0.761344 1.13048  -0.0974249  -0.120282   0.0433024   135 LEU   B CG   
3577 C CD1  . LEU   B 123 ? 0.492213 0.743229 1.11502  -0.10069    -0.0734054  0.0523636   135 LEU   B CD1  
3578 C CD2  . LEU   B 123 ? 0.562703 0.771676 1.17345  -0.120822   -0.162582   0.0446295   135 LEU   B CD2  
3579 H H    . LEU   B 123 ? 0.551828 0.67707  0.984455 -0.0641193  -0.128805   0.0273625   135 LEU   B H    
3580 H HA   . LEU   B 123 ? 0.604671 0.778219 1.1567   -0.0764642  -0.202232   0.036468    135 LEU   B HA   
3581 H HB2  . LEU   B 123 ? 0.534925 0.762928 1.12207  -0.0567701  -0.102837   0.0389872   135 LEU   B HB2  
3582 H HB3  . LEU   B 123 ? 0.546844 0.812156 1.21807  -0.0700479  -0.138529   0.0464633   135 LEU   B HB3  
3583 H HG   . LEU   B 123 ? 0.540947 0.713182 1.05349  -0.0972498  -0.116596   0.0375816   135 LEU   B HG   
3584 H HD11 . LEU   B 123 ? 0.494374 0.743496 1.09118  -0.0850857  -0.0483625  0.0493794   135 LEU   B HD11 
3585 H HD12 . LEU   B 123 ? 0.507334 0.74248  1.11131  -0.116755   -0.0688492  0.0546816   135 LEU   B HD12 
3586 H HD13 . LEU   B 123 ? 0.501444 0.794277 1.19509  -0.101724   -0.0731361  0.0591233   135 LEU   B HD13 
3587 H HD21 . LEU   B 123 ? 0.584226 0.759638 1.15064  -0.119134   -0.190226   0.0384093   135 LEU   B HD21 
3588 H HD22 . LEU   B 123 ? 0.564571 0.813152 1.24572  -0.12089    -0.17163    0.0498062   135 LEU   B HD22 
3589 H HD23 . LEU   B 123 ? 0.566605 0.766855 1.17072  -0.137131   -0.153831   0.0463709   135 LEU   B HD23 
3590 N N    . ASP   B 124 ? 0.647362 0.822398 1.17954  -0.0183233  -0.146513   0.0315046   136 ASP   B N    
3591 C CA   . ASP   B 124 ? 0.657906 0.83571  1.20928  0.00970238  -0.14955    0.0307297   136 ASP   B CA   
3592 C C    . ASP   B 124 ? 0.645334 0.789514 1.13717  0.0219505   -0.118032   0.0217408   136 ASP   B C    
3593 O O    . ASP   B 124 ? 0.537865 0.671728 0.989545 0.0102756   -0.091455   0.0168021   136 ASP   B O    
3594 C CB   . ASP   B 124 ? 0.628814 0.872707 1.28118  0.0242536   -0.136937   0.0341739   136 ASP   B CB   
3595 C CG   . ASP   B 124 ? 0.685664 0.940059 1.38169  0.052919    -0.157952   0.035998    136 ASP   B CG   
3596 O OD1  . ASP   B 124 ? 0.776793 0.98197  1.42109  0.060878    -0.1861     0.0367307   136 ASP   B OD1  
3597 O OD2  . ASP   B 124 ? 0.66382  0.975888 1.44725  0.0683817   -0.144974   0.0381506   136 ASP   B OD2  
3598 H H    . ASP   B 124 ? 0.630968 0.795374 1.13113  -0.0231609  -0.122849   0.0281406   136 ASP   B H    
3599 H HA   . ASP   B 124 ? 0.675281 0.83156  1.21146  0.0120173   -0.180677   0.0336504   136 ASP   B HA   
3600 H HB2  . ASP   B 124 ? 0.636449 0.908193 1.33084  0.00993389  -0.147047   0.0394346   136 ASP   B HB2  
3601 H HB3  . ASP   B 124 ? 0.627203 0.883963 1.28138  0.0297054   -0.102269   0.030391    136 ASP   B HB3  
3602 N N    . PHE   B 125 ? 0.653854 0.78109  1.1448   0.0457983   -0.123563   0.0195952   137 PHE   B N    
3603 C CA   . PHE   B 125 ? 0.677355 0.778807 1.13047  0.0594371   -0.0949578  0.00864215  137 PHE   B CA   
3604 C C    . PHE   B 125 ? 0.679059 0.780888 1.16721  0.0901821   -0.097734   0.00570188  137 PHE   B C    
3605 O O    . PHE   B 125 ? 0.726548 0.82488  1.2399   0.100356    -0.130086   0.0147013   137 PHE   B O    
3606 C CB   . PHE   B 125 ? 0.707574 0.750234 1.07606  0.0455682   -0.101368   0.00758873  137 PHE   B CB   
3607 C CG   . PHE   B 125 ? 0.689901 0.693238 1.02841  0.0443962   -0.139041   0.0184807   137 PHE   B CG   
3608 C CD1  . PHE   B 125 ? 0.736897 0.704874 1.06259  0.0623497   -0.148805   0.0209791   137 PHE   B CD1  
3609 C CD2  . PHE   B 125 ? 0.636569 0.632286 0.952651 0.0260848   -0.164147   0.0261466   137 PHE   B CD2  
3610 C CE1  . PHE   B 125 ? 0.794252 0.722085 1.08415  0.0620789   -0.181496   0.034412    137 PHE   B CE1  
3611 C CE2  . PHE   B 125 ? 0.706388 0.662249 0.982613 0.0270832   -0.197293   0.0362698   137 PHE   B CE2  
3612 C CZ   . PHE   B 125 ? 0.787835 0.710433 1.04992  0.045089    -0.205146   0.0421057   137 PHE   B CZ   
3613 H H    . PHE   B 125 ? 0.677704 0.807377 1.19195  0.0536302   -0.147572   0.0247908   137 PHE   B H    
3614 H HA   . PHE   B 125 ? 0.652989 0.775649 1.11356  0.0575127   -0.0681282  0.00349882  137 PHE   B HA   
3615 H HB2  . PHE   B 125 ? 0.693657 0.719485 1.04231  0.0535318   -0.0852391  -0.00021172 137 PHE   B HB2  
3616 H HB3  . PHE   B 125 ? 0.67495  0.72029  1.02413  0.0292584   -0.0943946  0.00730158  137 PHE   B HB3  
3617 H HD1  . PHE   B 125 ? 0.736756 0.705386 1.07576  0.0753903   -0.133128   0.0137696   137 PHE   B HD1  
3618 H HD2  . PHE   B 125 ? 0.640221 0.65516  0.964652 0.0133445   -0.158477   0.0243082   137 PHE   B HD2  
3619 H HE1  . PHE   B 125 ? 0.811325 0.712371 1.09245  0.0741882   -0.187525   0.0381793   137 PHE   B HE1  
3620 H HE2  . PHE   B 125 ? 0.722246 0.671002 0.978464 0.0159182   -0.214867   0.0395189   137 PHE   B HE2  
3621 H HZ   . PHE   B 125 ? 0.812197 0.705853 1.04369  0.0463907   -0.227179   0.0513093   137 PHE   B HZ   
3622 N N    . LYS   B 126 ? 0.663101 0.76649  1.14911  0.106465    -0.0644766  -0.00803444 138 LYS   B N    
3623 C CA   . LYS   B 126 ? 0.692577 0.802557 1.21889  0.139455    -0.0582159  -0.0151954  138 LYS   B CA   
3624 C C    . LYS   B 126 ? 0.695041 0.752827 1.16414  0.148757    -0.0429275  -0.0313226  138 LYS   B C    
3625 O O    . LYS   B 126 ? 0.556033 0.5982   0.974743 0.133175    -0.0250251  -0.0397472  138 LYS   B O    
3626 C CB   . LYS   B 126 ? 0.656532 0.833544 1.2527   0.153453    -0.0279028  -0.018589   138 LYS   B CB   
3627 H H    . LYS   B 126 ? 0.656626 0.755098 1.11266  0.0977374   -0.0455263  -0.0141515  138 LYS   B H    
3628 H HA   . LYS   B 126 ? 0.700816 0.803495 1.2456   0.146841    -0.0843403  -0.00710351 138 LYS   B HA   
3631 N N    . GLY   B 127 ? 0.718564 0.749193 1.19973  0.174834    -0.052117   -0.0360068  139 GLY   B N    
3632 C CA   . GLY   B 127 ? 0.770248 0.743327 1.20166  0.181744    -0.0445746  -0.0512516  139 GLY   B CA   
3633 C C    . GLY   B 127 ? 0.827087 0.813737 1.25169  0.194965    -0.00737388 -0.0750087  139 GLY   B C    
3634 O O    . GLY   B 127 ? 0.805025 0.837996 1.27732  0.217018    0.0137029   -0.0809496  139 GLY   B O    
3635 H H    . GLY   B 127 ? 0.736106 0.783679 1.25974  0.188608    -0.0645815  -0.0296929  139 GLY   B H    
3636 H HA2  . GLY   B 127 ? 0.772198 0.716367 1.15979  0.161396    -0.0517939  -0.0473869  139 GLY   B HA2  
3637 H HA3  . GLY   B 127 ? 0.805818 0.756018 1.24967  0.198462    -0.0581826  -0.0497837  139 GLY   B HA3  
3638 N N    . GLU   B 128 ? 0.880653 0.826397 1.24466  0.181966    0.00018447  -0.0884871  140 GLU   B N    
3639 C CA   . GLU   B 128 ? 0.98565  0.913921 1.32948  0.201387    0.0225173   -0.115737   140 GLU   B CA   
3640 C C    . GLU   B 128 ? 1.11827  1.04033  1.50558  0.239241    0.0215578   -0.12364    140 GLU   B C    
3641 O O    . GLU   B 128 ? 1.25761  1.13215  1.64516  0.243646    -0.00414276 -0.117542   140 GLU   B O    
3642 C CB   . GLU   B 128 ? 0.969091 0.838389 1.2531   0.184197    0.0148567   -0.12798    140 GLU   B CB   
3643 O OXT  . GLU   B 128 ? 1.08786  1.0541   1.50992  0.264187    0.0474901   -0.133039   140 GLU   B OXT  
3644 H H    . GLU   B 128 ? 0.871425 0.800434 1.20651  0.160961    -0.00948176 -0.0813195  140 GLU   B H    
3645 H HA   . GLU   B 128 ? 0.965105 0.926995 1.30957  0.20258     0.0437012   -0.120908   140 GLU   B HA   
3648 C CAK  . A1IN2 C .   ? 0.297299 0.392661 0.365284 -0.0338275  0.0639194   0.0387701   201 A1IN2 A CAK  
3649 C CAL  . A1IN2 C .   ? 0.319335 0.416959 0.391368 -0.0224729  0.0648309   0.0246012   201 A1IN2 A CAL  
3650 C CAM  . A1IN2 C .   ? 0.286865 0.378374 0.380049 -0.0165661  0.0512477   0.0182534   201 A1IN2 A CAM  
3651 C CAN  . A1IN2 C .   ? 0.284334 0.351338 0.360771 -0.0183767  0.038348    0.018452    201 A1IN2 A CAN  
3652 C CAO  . A1IN2 C .   ? 0.298382 0.364496 0.375525 -0.0284654  0.0366421   0.0298993   201 A1IN2 A CAO  
3653 C CAJ  . A1IN2 C .   ? 0.297022 0.370853 0.355313 -0.0337695  0.0483636   0.0381565   201 A1IN2 A CAJ  
3654 C CAI  . A1IN2 C .   ? 0.310964 0.378886 0.368232 -0.0414259  0.0433028   0.051826    201 A1IN2 A CAI  
3655 C CAB  . A1IN2 C .   ? 0.307189 0.361291 0.351952 -0.038994   0.0316802   0.0488199   201 A1IN2 A CAB  
3656 O OAA  . A1IN2 C .   ? 0.294215 0.343766 0.324245 -0.0353199  0.0299423   0.0383662   201 A1IN2 A OAA  
3657 N N    . A1IN2 C .   ? 0.30274  0.347919 0.356262 -0.0404104  0.0221654   0.055408    201 A1IN2 A N    
3658 C CAH  . A1IN2 C .   ? 0.298857 0.342081 0.368245 -0.0472527  0.0237656   0.0694992   201 A1IN2 A CAH  
3659 C CAG  . A1IN2 C .   ? 0.322975 0.351246 0.411296 -0.0471655  0.0117555   0.0695857   201 A1IN2 A CAG  
3660 C CAF  . A1IN2 C .   ? 0.309959 0.329247 0.385291 -0.0393783  0.00147531  0.0656992   201 A1IN2 A CAF  
3661 C CB   . A1IN2 C .   ? 0.315586 0.341926 0.381287 -0.034705   0.00228977  0.0505611   201 A1IN2 A CB   
3662 C CA   . A1IN2 C .   ? 0.295476 0.332924 0.341511 -0.0361396  0.0117635   0.0498152   201 A1IN2 A CA   
3663 C C    . A1IN2 C .   ? 0.295456 0.336634 0.323558 -0.0359224  0.00999956  0.0561762   201 A1IN2 A C    
3664 O O    . A1IN2 C .   ? 0.308028 0.350253 0.332467 -0.0323206  0.00217807  0.0511773   201 A1IN2 A O    
3665 O OBB  . A1IN2 C .   ? 0.325515 0.371668 0.340718 -0.0397848  0.0179456   0.0673345   201 A1IN2 A OBB  
3666 C CBA  . A1IN2 C .   ? 0.333054 0.383455 0.324326 -0.0381532  0.0138612   0.071261    201 A1IN2 A CBA  
3667 C CAZ  . A1IN2 C .   ? 0.362025 0.414557 0.336807 -0.0424537  0.0233771   0.0839796   201 A1IN2 A CAZ  
3668 O OAY  . A1IN2 C .   ? 0.415792 0.454546 0.396428 -0.0435416  0.0181497   0.101781    201 A1IN2 A OAY  
3669 C CAX  . A1IN2 C .   ? 0.482379 0.519542 0.440359 -0.049172   0.0276072   0.118534    201 A1IN2 A CAX  
3670 C CBI  . A1IN2 C .   ? 0.492063 0.538513 0.454993 -0.0581353  0.04681     0.121245    201 A1IN2 A CBI  
3671 C CAW  . A1IN2 C .   ? 0.4786   0.540392 0.418273 -0.0595637  0.0612711   0.11728     201 A1IN2 A CAW  
3672 C CBJ  . A1IN2 C .   ? 0.468612 0.545286 0.41559  -0.0658786  0.0814031   0.11707     201 A1IN2 A CBJ  
3673 O OAV  . A1IN2 C .   ? 0.424684 0.514982 0.386835 -0.0596992  0.0854155   0.0954081   201 A1IN2 A OAV  
3674 C CAU  . A1IN2 C .   ? 0.383284 0.469334 0.374147 -0.0554476  0.0746314   0.0844662   201 A1IN2 A CAU  
3675 C CAR  . A1IN2 C .   ? 0.349736 0.429537 0.332918 -0.0478937  0.0641456   0.0694153   201 A1IN2 A CAR  
3676 O OAS  . A1IN2 C .   ? 0.371846 0.451168 0.322391 -0.0461933  0.0632338   0.0659305   201 A1IN2 A OAS  
3677 C CAT  . A1IN2 C .   ? 0.379553 0.452834 0.324614 -0.0421776  0.0544856   0.0502612   201 A1IN2 A CAT  
3678 C CAQ  . A1IN2 C .   ? 0.316029 0.389309 0.322654 -0.0439822  0.0546515   0.0594344   201 A1IN2 A CAQ  
3679 C CAP  . A1IN2 C .   ? 0.313668 0.388657 0.352222 -0.046463   0.0537529   0.0628247   201 A1IN2 A CAP  
3680 C CBH  . A1IN2 C .   ? 0.337278 0.420857 0.387867 -0.0550329  0.0634898   0.0760555   201 A1IN2 A CBH  
3681 C CBE  . A1IN2 C .   ? 0.374342 0.463299 0.401438 -0.0602354  0.0755792   0.0876396   201 A1IN2 A CBE  
3682 O OBF  . A1IN2 C .   ? 0.353353 0.448904 0.388455 -0.0713321  0.0879396   0.102502    201 A1IN2 A OBF  
3683 C CBG  . A1IN2 C .   ? 0.363845 0.468334 0.440748 -0.0786935  0.0903213   0.102541    201 A1IN2 A CBG  
3684 H HAK  . A1IN2 C .   ? 0.317135 0.412534 0.362915 -0.0359683  0.0701799   0.0421951   201 A1IN2 A HAK  
3685 H HB6  . A1IN2 C .   ? 0.303152 0.404832 0.39289  -0.0407947  0.0634537   0.0471098   201 A1IN2 A HB6  
3686 H HAL  . A1IN2 C .   ? 0.316569 0.433199 0.399443 -0.02106    0.0762865   0.0235138   201 A1IN2 A HAL  
3687 H HB7  . A1IN2 C .   ? 0.315961 0.400474 0.362525 -0.0186447  0.0643649   0.018521    201 A1IN2 A HB7  
3688 H HAM  . A1IN2 C .   ? 0.286908 0.392199 0.40738  -0.0212466  0.0504933   0.0224805   201 A1IN2 A HAM  
3689 H HB8  . A1IN2 C .   ? 0.296178 0.387045 0.388454 -0.00620289 0.051423    0.00873937  201 A1IN2 A HB8  
3690 H HAN  . A1IN2 C .   ? 0.281838 0.3435   0.369351 -0.014339   0.0289289   0.0141616   201 A1IN2 A HAN  
3691 H HB9  . A1IN2 C .   ? 0.293186 0.348006 0.345236 -0.0157313  0.0395242   0.0135951   201 A1IN2 A HB9  
3692 H HCA  . A1IN2 C .   ? 0.288459 0.34168  0.353308 -0.0285047  0.0298824   0.0286431   201 A1IN2 A HCA  
3693 H HAO  . A1IN2 C .   ? 0.289354 0.362446 0.388049 -0.0331596  0.0354373   0.0354398   201 A1IN2 A HAO  
3694 H HAJ  . A1IN2 C .   ? 0.303601 0.369954 0.339345 -0.0309145  0.048353    0.032242    201 A1IN2 A HAJ  
3695 H HAI  . A1IN2 C .   ? 0.303102 0.372457 0.383098 -0.0448903  0.0410093   0.055717    201 A1IN2 A HAI  
3696 H HAH  . A1IN2 C .   ? 0.323717 0.365301 0.378027 -0.0492586  0.0258279   0.0798451   201 A1IN2 A HAH  
3697 H HB5  . A1IN2 C .   ? 0.308485 0.361733 0.390386 -0.0510351  0.0317858   0.0699198   201 A1IN2 A HB5  
3698 H HAG  . A1IN2 C .   ? 0.329661 0.349464 0.424308 -0.0524384  0.0109567   0.0806727   201 A1IN2 A HAG  
3699 H HB4  . A1IN2 C .   ? 0.303304 0.331685 0.404236 -0.0452222  0.00802275  0.0599673   201 A1IN2 A HB4  
3700 H HAF  . A1IN2 C .   ? 0.327075 0.348077 0.387174 -0.038343   0.00191066  0.0719951   201 A1IN2 A HAF  
3701 H HB3  . A1IN2 C .   ? 0.317097 0.325859 0.402832 -0.0368018  -0.0067304  0.062809    201 A1IN2 A HB3  
3702 H HB2  . A1IN2 C .   ? 0.29732  0.323251 0.371041 -0.0342774  0.00266811  0.0436554   201 A1IN2 A HB2  
3703 H HB1  . A1IN2 C .   ? 0.303341 0.327414 0.364416 -0.0308161  -0.00343812 0.0466564   201 A1IN2 A HB1  
3704 H HA   . A1IN2 C .   ? 0.289541 0.326604 0.329395 -0.0340379  0.0121683   0.0391976   201 A1IN2 A HA   
3705 H HCF  . A1IN2 C .   ? 0.333151 0.390185 0.312649 -0.0380973  0.015527    0.0613314   201 A1IN2 A HCF  
3706 H HBA  . A1IN2 C .   ? 0.342314 0.389259 0.333652 -0.0345656  0.00421855  0.0758388   201 A1IN2 A HBA  
3707 H HCE  . A1IN2 C .   ? 0.367254 0.422343 0.351315 -0.0461959  0.0334421   0.0846414   201 A1IN2 A HCE  
3708 H HAZ  . A1IN2 C .   ? 0.380739 0.43982  0.332893 -0.0419572  0.0245867   0.081488    201 A1IN2 A HAZ  
3709 H HCD  . A1IN2 C .   ? 0.486091 0.529627 0.419214 -0.0460371  0.0255538   0.116505    201 A1IN2 A HCD  
3710 H HAX  . A1IN2 C .   ? 0.493777 0.515457 0.451479 -0.049388   0.0214559   0.13245     201 A1IN2 A HAX  
3711 H HBI  . A1IN2 C .   ? 0.479528 0.522864 0.467022 -0.063771   0.0504372   0.124806    201 A1IN2 A HBI  
3712 H HAW  . A1IN2 C .   ? 0.488103 0.551909 0.403062 -0.0547689  0.0560797   0.112129    201 A1IN2 A HAW  
3713 H HBJ  . A1IN2 C .   ? 0.466027 0.541835 0.436001 -0.0725228  0.0855385   0.124297    201 A1IN2 A HBJ  
3714 H HCI  . A1IN2 C .   ? 0.492858 0.574645 0.413094 -0.0676123  0.0910366   0.12177     201 A1IN2 A HCI  
3715 H HCC  . A1IN2 C .   ? 0.388326 0.463067 0.308381 -0.0424589  0.0542613   0.0464745   201 A1IN2 A HCC  
3716 H HAT  . A1IN2 C .   ? 0.360571 0.428206 0.315587 -0.041927   0.0433171   0.051634    201 A1IN2 A HAT  
3717 H HCB  . A1IN2 C .   ? 0.36376  0.436197 0.317706 -0.0391873  0.0591088   0.0401324   201 A1IN2 A HCB  
3718 H HAQ  . A1IN2 C .   ? 0.312496 0.379381 0.311262 -0.0401508  0.0483665   0.0491689   201 A1IN2 A HAQ  
3719 H HBH  . A1IN2 C .   ? 0.331102 0.417438 0.40882  -0.0586518  0.0622057   0.076902    201 A1IN2 A HBH  
3720 H HCH  . A1IN2 C .   ? 0.37821  0.491458 0.45875  -0.089381   0.103989    0.11362     201 A1IN2 A HCH  
3721 H HBG  . A1IN2 C .   ? 0.341924 0.460762 0.435974 -0.072526   0.0914311   0.0884815   201 A1IN2 A HBG  
3722 H HCG  . A1IN2 C .   ? 0.352283 0.440088 0.439577 -0.0799616  0.0770689   0.105315    201 A1IN2 A HCG  
3723 C CAK  . A1IN2 D .   ? 0.417081 0.321446 0.357944 -0.0652163  0.0944367   0.05689     201 A1IN2 B CAK  
3724 C CAL  . A1IN2 D .   ? 0.488167 0.358152 0.401224 -0.0602367  0.0868924   0.0576854   201 A1IN2 B CAL  
3725 C CAM  . A1IN2 D .   ? 0.477222 0.322968 0.399139 -0.0721478  0.0681896   0.0459492   201 A1IN2 B CAM  
3726 C CAN  . A1IN2 D .   ? 0.460411 0.32446  0.380164 -0.0670704  0.0603287   0.0273763   201 A1IN2 B CAN  
3727 C CAO  . A1IN2 D .   ? 0.422458 0.319958 0.368695 -0.0709348  0.0644155   0.0265291   201 A1IN2 B CAO  
3728 C CAJ  . A1IN2 D .   ? 0.407708 0.326522 0.349306 -0.0606016  0.0836856   0.0370116   201 A1IN2 B CAJ  
3729 C CAI  . A1IN2 D .   ? 0.369283 0.322711 0.334739 -0.058709   0.0925545   0.0343089   201 A1IN2 B CAI  
3730 C CAB  . A1IN2 D .   ? 0.330102 0.291342 0.291333 -0.0525462  0.0823896   0.0160373   201 A1IN2 B CAB  
3731 O OAA  . A1IN2 D .   ? 0.371684 0.323523 0.308876 -0.0456064  0.075103    0.00574664  201 A1IN2 B OAA  
3732 N N    . A1IN2 D .   ? 0.339183 0.318333 0.32536  -0.0535505  0.0810699   0.010348    201 A1IN2 B N    
3733 C CAH  . A1IN2 D .   ? 0.341574 0.341001 0.363901 -0.0583105  0.0910418   0.0205944   201 A1IN2 B CAH  
3734 C CAG  . A1IN2 D .   ? 0.344515 0.355302 0.403668 -0.0639502  0.0793269   0.0163188   201 A1IN2 B CAG  
3735 C CAF  . A1IN2 D .   ? 0.326947 0.336683 0.374384 -0.0539518  0.0714082   0.00054497  201 A1IN2 B CAF  
3736 C CB   . A1IN2 D .   ? 0.331987 0.315715 0.341149 -0.0549582  0.0608386   -0.0073615  201 A1IN2 B CB   
3737 C CA   . A1IN2 D .   ? 0.350274 0.331155 0.330287 -0.0476389  0.0720761   -0.00557344 201 A1IN2 B CA   
3738 C C    . A1IN2 D .   ? 0.342248 0.337165 0.311319 -0.0336872  0.0807205   -0.014481   201 A1IN2 B C    
3739 O O    . A1IN2 D .   ? 0.316648 0.311198 0.284702 -0.0297945  0.0735386   -0.0279489  201 A1IN2 B O    
3740 O OBB  . A1IN2 D .   ? 0.344631 0.349255 0.303075 -0.0257323  0.0963505   -0.00726805 201 A1IN2 B OBB  
3741 C CBA  . A1IN2 D .   ? 0.377289 0.389728 0.310991 -0.00918321 0.101697    -0.0199644  201 A1IN2 B CBA  
3742 C CAZ  . A1IN2 D .   ? 0.428852 0.451211 0.347008 0.00048013  0.122374    -0.00904676 201 A1IN2 B CAZ  
3743 O OAY  . A1IN2 D .   ? 0.397618 0.437791 0.352504 -0.00265848 0.136333    -0.00127372 201 A1IN2 B OAY  
3744 C CAX  . A1IN2 D .   ? 0.461344 0.514773 0.400721 0.00947846  0.161814    0.00761276  201 A1IN2 B CAX  
3745 C CBI  . A1IN2 D .   ? 0.478963 0.530388 0.415201 0.00233666  0.177347    0.0325704   201 A1IN2 B CBI  
3746 C CAW  . A1IN2 D .   ? 0.499806 0.534117 0.38504  0.0105008   0.180396    0.0403366   201 A1IN2 B CAW  
3747 C CBJ  . A1IN2 D .   ? 0.54295  0.568722 0.423778 0.00330372  0.196409    0.0680006   201 A1IN2 B CBJ  
3748 O OAV  . A1IN2 D .   ? 0.503547 0.501939 0.372148 -0.00389117 0.174983    0.0695149   201 A1IN2 B OAV  
3749 C CAU  . A1IN2 D .   ? 0.453566 0.444975 0.355464 -0.018819   0.153273    0.0594449   201 A1IN2 B CAU  
3750 C CAR  . A1IN2 D .   ? 0.438047 0.419583 0.324584 -0.0142576  0.131492    0.040892    201 A1IN2 B CAR  
3751 O OAS  . A1IN2 D .   ? 0.451778 0.434539 0.298274 0.00374622  0.128872    0.0313225   201 A1IN2 B OAS  
3752 C CAT  . A1IN2 D .   ? 0.441547 0.41839  0.284219 0.00540787  0.10695     0.0139419   201 A1IN2 B CAT  
3753 C CAQ  . A1IN2 D .   ? 0.392495 0.363292 0.304278 -0.0282532  0.113795    0.0338694   201 A1IN2 B CAQ  
3754 C CAP  . A1IN2 D .   ? 0.376341 0.344388 0.325816 -0.0463575  0.113134    0.043518    201 A1IN2 B CAP  
3755 C CBH  . A1IN2 D .   ? 0.407036 0.388208 0.379319 -0.0522824  0.131817    0.0611762   201 A1IN2 B CBH  
3756 C CBE  . A1IN2 D .   ? 0.45331  0.446932 0.402679 -0.0386179  0.154516    0.0703712   201 A1IN2 B CBE  
3757 O OBF  . A1IN2 D .   ? 0.477766 0.485398 0.44625  -0.0431254  0.179147    0.0908595   201 A1IN2 B OBF  
3758 C CBG  . A1IN2 D .   ? 0.463824 0.484821 0.493562 -0.0633623  0.179638    0.0995698   201 A1IN2 B CBG  
3759 H HAK  . A1IN2 D .   ? 0.438882 0.358169 0.371649 -0.0569913  0.108112    0.0634198   201 A1IN2 B HAK  
3760 H HB6  . A1IN2 D .   ? 0.441908 0.339616 0.408854 -0.0803805  0.092571    0.0646624   201 A1IN2 B HB6  
3761 H HAL  . A1IN2 D .   ? 0.501782 0.357481 0.411997 -0.0628008  0.0953544   0.0743238   201 A1IN2 B HAL  
3762 H HB7  . A1IN2 D .   ? 0.469627 0.343906 0.359208 -0.0453485  0.0854555   0.0499277   201 A1IN2 B HB7  
3763 H HAM  . A1IN2 D .   ? 0.487709 0.330662 0.435955 -0.0878572  0.0652106   0.0517634   201 A1IN2 B HAM  
3764 H HB8  . A1IN2 D .   ? 0.502481 0.320508 0.4044   -0.067046   0.0637554   0.0451065   201 A1IN2 B HB8  
3765 H HAN  . A1IN2 D .   ? 0.458721 0.304438 0.376104 -0.0730323  0.0483419   0.0193664   201 A1IN2 B HAN  
3766 H HB9  . A1IN2 D .   ? 0.449426 0.318412 0.349557 -0.053471   0.0628862   0.0219565   201 A1IN2 B HB9  
3767 H HCA  . A1IN2 D .   ? 0.402583 0.310402 0.344784 -0.0658272  0.0605912   0.0154943   201 A1IN2 B HCA  
3768 H HAO  . A1IN2 D .   ? 0.42283  0.322931 0.395154 -0.0830705  0.0621163   0.0323836   201 A1IN2 B HAO  
3769 H HAJ  . A1IN2 D .   ? 0.402879 0.3215   0.319472 -0.0478277  0.0832088   0.030377    201 A1IN2 B HAJ  
3770 H HAI  . A1IN2 D .   ? 0.36718  0.325    0.363893 -0.0709624  0.0911298   0.0403975   201 A1IN2 B HAI  
3771 H HAH  . A1IN2 D .   ? 0.351903 0.366622 0.368095 -0.0473925  0.106499    0.0211848   201 A1IN2 B HAH  
3772 H HB5  . A1IN2 D .   ? 0.356727 0.349944 0.389267 -0.0680514  0.0936442   0.0329408   201 A1IN2 B HB5  
3773 H HAG  . A1IN2 D .   ? 0.34047  0.373182 0.428949 -0.0629227  0.0896021   0.0222545   201 A1IN2 B HAG  
3774 H HB4  . A1IN2 D .   ? 0.339252 0.335794 0.403663 -0.074451   0.0638669   0.0166089   201 A1IN2 B HB4  
3775 H HAF  . A1IN2 D .   ? 0.331374 0.351013 0.370508 -0.0423291  0.0818093   -0.00522466 201 A1IN2 B HAF  
3776 H HB3  . A1IN2 D .   ? 0.324017 0.333364 0.389909 -0.0579376  0.0590774   -0.00135945 201 A1IN2 B HB3  
3777 H HB2  . A1IN2 D .   ? 0.336694 0.305334 0.343123 -0.063879   0.0517294   -0.00398141 201 A1IN2 B HB2  
3778 H HB1  . A1IN2 D .   ? 0.327239 0.308084 0.327666 -0.0504379  0.0566252   -0.0166453  201 A1IN2 B HB1  
3779 H HA   . A1IN2 D .   ? 0.3406   0.306814 0.302559 -0.0484093  0.0644457   -0.0103755  201 A1IN2 B HA   
3780 H HCF  . A1IN2 D .   ? 0.38348  0.388506 0.293792 -0.00501093 0.0948503   -0.0252863  201 A1IN2 B HCF  
3781 H HBA  . A1IN2 D .   ? 0.375729 0.394589 0.319246 -0.00425586 0.100921    -0.0311337  201 A1IN2 B HBA  
3782 H HCE  . A1IN2 D .   ? 0.429369 0.445937 0.337108 -0.00208117 0.128485    0.00526149  201 A1IN2 B HCE  
3783 H HAZ  . A1IN2 D .   ? 0.431311 0.459066 0.331908 0.0136859   0.126065    -0.0209681  201 A1IN2 B HAZ  
3784 H HCD  . A1IN2 D .   ? 0.473147 0.521529 0.373928 0.0237874   0.161851    -0.003609   201 A1IN2 B HCD  
3785 H HAX  . A1IN2 D .   ? 0.45077  0.52209  0.419225 0.0122575   0.172163    0.00661642  201 A1IN2 B HAX  
3786 H HBI  . A1IN2 D .   ? 0.471059 0.533498 0.447203 -0.00980306 0.185607    0.0464018   201 A1IN2 B HBI  
3787 H HAW  . A1IN2 D .   ? 0.512825 0.539044 0.362547 0.0224267   0.16906     0.0258131   201 A1IN2 B HAW  
3788 H HBJ  . A1IN2 D .   ? 0.523565 0.559516 0.445601 -0.00999472 0.205591    0.0799795   201 A1IN2 B HBJ  
3789 H HCI  . A1IN2 D .   ? 0.567953 0.591084 0.410103 0.0160933   0.21064     0.075674    201 A1IN2 B HCI  
3790 H HCC  . A1IN2 D .   ? 0.45444  0.433885 0.269212 0.0188901   0.102368    0.00654188  201 A1IN2 B HCC  
3791 H HAT  . A1IN2 D .   ? 0.413615 0.398259 0.278286 -0.00023184 0.101131    0.00170203  201 A1IN2 B HAT  
3792 H HCB  . A1IN2 D .   ? 0.436469 0.39799  0.281012 0.00017244  0.100467    0.0200719   201 A1IN2 B HCB  
3793 H HAQ  . A1IN2 D .   ? 0.381694 0.346882 0.28408  -0.0251503  0.100211    0.020617    201 A1IN2 B HAQ  
3794 H HBH  . A1IN2 D .   ? 0.40593  0.387861 0.413665 -0.0675759  0.128845    0.0680406   201 A1IN2 B HBH  
3795 H HCH  . A1IN2 D .   ? 0.483325 0.522971 0.53041  -0.0642801  0.203886    0.115543    201 A1IN2 B HCH  
3796 H HBG  . A1IN2 D .   ? 0.468036 0.466011 0.50539  -0.0774709  0.167364    0.105605    201 A1IN2 B HBG  
3797 H HCG  . A1IN2 D .   ? 0.437671 0.473162 0.49073  -0.0634812  0.168256    0.08488     201 A1IN2 B HCG  
# 
