data_9GPK
# 
_entry.id   9GPK 
# 
_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   9GPK         pdb_00009gpk 10.2210/pdb9gpk/pdb 
WWPDB D_1292141126 ?            ?                   
# 
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 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 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 2 'Structure model' '_citation_author.name'             
5 3 'Structure model' '_citation.page_first'              
6 3 'Structure model' '_citation.page_last'               
7 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                        9GPK 
_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 ? 
'Walz, C.'    2 ? 
'Buffa, V.'   3 ? 
'Hausch, F.'  4 ? 
# 
_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                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 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-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione' 
554.678   2   ?       ?                    ? ? 
3 water       nat water 18.015    127 ?       ?                    ? ? 
# 
_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-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione' 
A1INK 
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 
A1INK non-polymer         . 
'2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione' ? 
'C30 H42 N4 O6'  554.678 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   13  13  GLY GLY A . n 
A 1 2   ALA 2   14  14  ALA ALA A . n 
A 1 3   PRO 3   15  15  PRO PRO A . n 
A 1 4   ALA 4   16  16  ALA ALA 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        A1INK 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INK 
_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 A1INK 1  201 201 A1INK DRG A . 
D 2 A1INK 1  201 201 A1INK DRG B . 
E 3 HOH   1  301 79  HOH   HOH A . 
E 3 HOH   2  302 53  HOH   HOH A . 
E 3 HOH   3  303 119 HOH   HOH A . 
E 3 HOH   4  304 130 HOH   HOH A . 
E 3 HOH   5  305 51  HOH   HOH A . 
E 3 HOH   6  306 34  HOH   HOH A . 
E 3 HOH   7  307 29  HOH   HOH A . 
E 3 HOH   8  308 124 HOH   HOH A . 
E 3 HOH   9  309 70  HOH   HOH A . 
E 3 HOH   10 310 89  HOH   HOH A . 
E 3 HOH   11 311 63  HOH   HOH A . 
E 3 HOH   12 312 118 HOH   HOH A . 
E 3 HOH   13 313 78  HOH   HOH A . 
E 3 HOH   14 314 75  HOH   HOH A . 
E 3 HOH   15 315 45  HOH   HOH A . 
E 3 HOH   16 316 110 HOH   HOH A . 
E 3 HOH   17 317 64  HOH   HOH A . 
E 3 HOH   18 318 72  HOH   HOH A . 
E 3 HOH   19 319 77  HOH   HOH A . 
E 3 HOH   20 320 26  HOH   HOH A . 
E 3 HOH   21 321 120 HOH   HOH A . 
E 3 HOH   22 322 93  HOH   HOH A . 
E 3 HOH   23 323 35  HOH   HOH A . 
E 3 HOH   24 324 17  HOH   HOH A . 
E 3 HOH   25 325 11  HOH   HOH A . 
E 3 HOH   26 326 68  HOH   HOH A . 
E 3 HOH   27 327 24  HOH   HOH A . 
E 3 HOH   28 328 95  HOH   HOH A . 
E 3 HOH   29 329 27  HOH   HOH A . 
E 3 HOH   30 330 123 HOH   HOH A . 
E 3 HOH   31 331 38  HOH   HOH A . 
E 3 HOH   32 332 100 HOH   HOH A . 
E 3 HOH   33 333 40  HOH   HOH A . 
E 3 HOH   34 334 30  HOH   HOH A . 
E 3 HOH   35 335 116 HOH   HOH A . 
E 3 HOH   36 336 25  HOH   HOH A . 
E 3 HOH   37 337 20  HOH   HOH A . 
E 3 HOH   38 338 125 HOH   HOH A . 
E 3 HOH   39 339 85  HOH   HOH A . 
E 3 HOH   40 340 14  HOH   HOH A . 
E 3 HOH   41 341 122 HOH   HOH A . 
E 3 HOH   42 342 92  HOH   HOH A . 
E 3 HOH   43 343 83  HOH   HOH A . 
E 3 HOH   44 344 74  HOH   HOH A . 
E 3 HOH   45 345 61  HOH   HOH A . 
E 3 HOH   46 346 91  HOH   HOH A . 
E 3 HOH   47 347 19  HOH   HOH A . 
E 3 HOH   48 348 32  HOH   HOH A . 
E 3 HOH   49 349 58  HOH   HOH A . 
E 3 HOH   50 350 13  HOH   HOH A . 
E 3 HOH   51 351 23  HOH   HOH A . 
E 3 HOH   52 352 86  HOH   HOH A . 
E 3 HOH   53 353 127 HOH   HOH A . 
E 3 HOH   54 354 36  HOH   HOH A . 
E 3 HOH   55 355 18  HOH   HOH A . 
E 3 HOH   56 356 87  HOH   HOH A . 
E 3 HOH   57 357 115 HOH   HOH A . 
E 3 HOH   58 358 103 HOH   HOH A . 
E 3 HOH   59 359 65  HOH   HOH A . 
E 3 HOH   60 360 101 HOH   HOH A . 
E 3 HOH   61 361 113 HOH   HOH A . 
E 3 HOH   62 362 81  HOH   HOH A . 
F 3 HOH   1  301 114 HOH   HOH B . 
F 3 HOH   2  302 131 HOH   HOH B . 
F 3 HOH   3  303 107 HOH   HOH B . 
F 3 HOH   4  304 112 HOH   HOH B . 
F 3 HOH   5  305 129 HOH   HOH B . 
F 3 HOH   6  306 7   HOH   HOH B . 
F 3 HOH   7  307 67  HOH   HOH B . 
F 3 HOH   8  308 50  HOH   HOH B . 
F 3 HOH   9  309 62  HOH   HOH B . 
F 3 HOH   10 310 31  HOH   HOH B . 
F 3 HOH   11 311 39  HOH   HOH B . 
F 3 HOH   12 312 3   HOH   HOH B . 
F 3 HOH   13 313 12  HOH   HOH B . 
F 3 HOH   14 314 42  HOH   HOH B . 
F 3 HOH   15 315 76  HOH   HOH B . 
F 3 HOH   16 316 80  HOH   HOH B . 
F 3 HOH   17 317 41  HOH   HOH B . 
F 3 HOH   18 318 84  HOH   HOH B . 
F 3 HOH   19 319 82  HOH   HOH B . 
F 3 HOH   20 320 56  HOH   HOH B . 
F 3 HOH   21 321 5   HOH   HOH B . 
F 3 HOH   22 322 60  HOH   HOH B . 
F 3 HOH   23 323 28  HOH   HOH B . 
F 3 HOH   24 324 8   HOH   HOH B . 
F 3 HOH   25 325 9   HOH   HOH B . 
F 3 HOH   26 326 43  HOH   HOH B . 
F 3 HOH   27 327 15  HOH   HOH B . 
F 3 HOH   28 328 66  HOH   HOH B . 
F 3 HOH   29 329 126 HOH   HOH B . 
F 3 HOH   30 330 88  HOH   HOH B . 
F 3 HOH   31 331 52  HOH   HOH B . 
F 3 HOH   32 332 59  HOH   HOH B . 
F 3 HOH   33 333 22  HOH   HOH B . 
F 3 HOH   34 334 46  HOH   HOH B . 
F 3 HOH   35 335 16  HOH   HOH B . 
F 3 HOH   36 336 57  HOH   HOH B . 
F 3 HOH   37 337 33  HOH   HOH B . 
F 3 HOH   38 338 99  HOH   HOH B . 
F 3 HOH   39 339 4   HOH   HOH B . 
F 3 HOH   40 340 21  HOH   HOH B . 
F 3 HOH   41 341 97  HOH   HOH B . 
F 3 HOH   42 342 111 HOH   HOH B . 
F 3 HOH   43 343 49  HOH   HOH B . 
F 3 HOH   44 344 37  HOH   HOH B . 
F 3 HOH   45 345 121 HOH   HOH B . 
F 3 HOH   46 346 10  HOH   HOH B . 
F 3 HOH   47 347 69  HOH   HOH B . 
F 3 HOH   48 348 105 HOH   HOH B . 
F 3 HOH   49 349 90  HOH   HOH B . 
F 3 HOH   50 350 6   HOH   HOH B . 
F 3 HOH   51 351 47  HOH   HOH B . 
F 3 HOH   52 352 54  HOH   HOH B . 
F 3 HOH   53 353 108 HOH   HOH B . 
F 3 HOH   54 354 104 HOH   HOH B . 
F 3 HOH   55 355 44  HOH   HOH B . 
F 3 HOH   56 356 109 HOH   HOH B . 
F 3 HOH   57 357 117 HOH   HOH B . 
F 3 HOH   58 358 128 HOH   HOH B . 
F 3 HOH   59 359 96  HOH   HOH B . 
F 3 HOH   60 360 48  HOH   HOH B . 
F 3 HOH   61 361 98  HOH   HOH B . 
F 3 HOH   62 362 102 HOH   HOH B . 
F 3 HOH   63 363 71  HOH   HOH B . 
F 3 HOH   64 364 106 HOH   HOH B . 
F 3 HOH   65 365 94  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 GLU 20  ? CG  ? A GLU 8   CG  
2  1 Y 1 A GLU 20  ? CD  ? A GLU 8   CD  
3  1 Y 1 A GLU 20  ? OE1 ? A GLU 8   OE1 
4  1 Y 1 A GLU 20  ? OE2 ? A GLU 8   OE2 
5  1 Y 1 A GLU 44  ? CG  ? A GLU 32  CG  
6  1 Y 1 A GLU 44  ? CD  ? A GLU 32  CD  
7  1 Y 1 A GLU 44  ? OE1 ? A GLU 32  OE1 
8  1 Y 1 A GLU 44  ? OE2 ? A GLU 32  OE2 
9  1 Y 1 A LYS 65  ? CG  ? A LYS 53  CG  
10 1 Y 1 A LYS 65  ? CD  ? A LYS 53  CD  
11 1 Y 1 A LYS 65  ? CE  ? A LYS 53  CE  
12 1 Y 1 A LYS 65  ? NZ  ? A LYS 53  NZ  
13 1 Y 1 A LYS 66  ? CG  ? A LYS 54  CG  
14 1 Y 1 A LYS 66  ? CD  ? A LYS 54  CD  
15 1 Y 1 A LYS 66  ? CE  ? A LYS 54  CE  
16 1 Y 1 A LYS 66  ? NZ  ? A LYS 54  NZ  
17 1 Y 1 A LYS 83  ? CG  ? A LYS 71  CG  
18 1 Y 1 A LYS 83  ? CD  ? A LYS 71  CD  
19 1 Y 1 A LYS 83  ? CE  ? A LYS 71  CE  
20 1 Y 1 A LYS 83  ? NZ  ? A LYS 71  NZ  
21 1 Y 1 A LYS 88  ? CG  ? A LYS 76  CG  
22 1 Y 1 A LYS 88  ? CD  ? A LYS 76  CD  
23 1 Y 1 A LYS 88  ? CE  ? A LYS 76  CE  
24 1 Y 1 A LYS 88  ? NZ  ? A LYS 76  NZ  
25 1 Y 1 A LYS 99  ? CG  ? A LYS 87  CG  
26 1 Y 1 A LYS 99  ? CD  ? A LYS 87  CD  
27 1 Y 1 A LYS 99  ? CE  ? A LYS 87  CE  
28 1 Y 1 A LYS 99  ? NZ  ? A LYS 87  NZ  
29 1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
30 1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
31 1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
32 1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
33 1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
34 1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
35 1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
36 1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
37 1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
38 1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
39 1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
40 1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
41 1 Y 1 B GLU 45  ? CG  ? B GLU 33  CG  
42 1 Y 1 B GLU 45  ? CD  ? B GLU 33  CD  
43 1 Y 1 B GLU 45  ? OE1 ? B GLU 33  OE1 
44 1 Y 1 B GLU 45  ? OE2 ? B GLU 33  OE2 
45 1 Y 1 B LYS 52  ? CG  ? B LYS 40  CG  
46 1 Y 1 B LYS 52  ? CD  ? B LYS 40  CD  
47 1 Y 1 B LYS 52  ? CE  ? B LYS 40  CE  
48 1 Y 1 B LYS 52  ? NZ  ? B LYS 40  NZ  
49 1 Y 1 B LYS 58  ? CG  ? B LYS 46  CG  
50 1 Y 1 B LYS 58  ? CD  ? B LYS 46  CD  
51 1 Y 1 B LYS 58  ? CE  ? B LYS 46  CE  
52 1 Y 1 B LYS 58  ? NZ  ? B LYS 46  NZ  
53 1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
54 1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
55 1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
56 1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
57 1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
58 1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
59 1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
60 1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
61 1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
62 1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
63 1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
64 1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
65 1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
66 1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
67 1 Y 1 B GLU 75  ? CG  ? B GLU 63  CG  
68 1 Y 1 B GLU 75  ? CD  ? B GLU 63  CD  
69 1 Y 1 B GLU 75  ? OE1 ? B GLU 63  OE1 
70 1 Y 1 B GLU 75  ? OE2 ? B GLU 63  OE2 
71 1 Y 1 B LYS 83  ? CG  ? B LYS 71  CG  
72 1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
73 1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
74 1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
75 1 Y 1 B LYS 88  ? CG  ? B LYS 76  CG  
76 1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
77 1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
78 1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
79 1 Y 1 B LYS 138 ? CG  ? B LYS 126 CG  
80 1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
81 1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
82 1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
83 1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
84 1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
85 1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
86 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                     9GPK 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.872 
_cell.length_a_esd                 ? 
_cell.length_b                     48.872 
_cell.length_b_esd                 ? 
_cell.length_c                     195.79 
_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                         9GPK 
_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                   9GPK 
_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             2.41 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.96 
_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    '14% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5, 10% glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.918400 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.918400 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GPK 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.75 
_reflns.d_resolution_low                               48.95 
_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                                     28521 
_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                          20.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.02 
_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                                0.061 
_reflns.pdbx_Rpim_I_all                                0.025 
_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                              0.055 
_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 
9.09 48.95 ? 64.2 ? ? ? ? 273  ? ? ? ? ? ? ? ? ? ? ? 8.3  0.67 ? ? 0.022 0.009 ? 1 ? 1.000 ? ? 99.5  ? 0.020 ? ? ? ? ? ? ? ? ? 
1.75 1.78  ? 1.6  ? ? ? ? 1508 ? ? ? ? ? ? ? ? ? ? ? 11.0 1.04 ? ? 1.663 0.682 ? 2 ? 0.625 ? ? 100.0 ? 1.514 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.404 
_refine.aniso_B[1][2]                            -0.202 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.404 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            1.311 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               40.199 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.956 
_refine.correlation_coeff_Fo_to_Fc_free          0.919 
_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                                 9GPK 
_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                            1.750 
_refine.ls_d_res_low                             42.360 
_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                     28449 
_refine.ls_number_reflns_R_free                  1378 
_refine.ls_number_reflns_R_work                  27071 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.961 
_refine.ls_percent_reflns_R_free                 4.844 
_refine.ls_R_factor_all                          0.212 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2543 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2094 
_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                       0.125 
_refine.pdbx_overall_ESU_R_Free                  0.126 
_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                             6.202 
_refine.overall_SU_ML                            0.098 
_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                       1.750 
_refine_hist.d_res_low                        42.360 
_refine_hist.number_atoms_solvent             127 
_refine_hist.number_atoms_total               2095 
_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        1888 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         80 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.015  0.012  2029 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1878 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.134  1.810  2751 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.721  1.743  4365 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.375  5.000  256  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.338 13.000 15   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.968 10.000 306  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.290 10.000 73   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.112  0.200  299  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.013  0.020  2328 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  420  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.209  0.200  357  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  1734 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  1016 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.091  0.200  1087 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.159  0.200  122  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.099  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  33   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.217  0.200  15   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.936  2.332  1027 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.930  2.331  1027 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.738  4.188  1282 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.739  4.189  1283 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.584  2.501  1002 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.582  2.501  1003 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.948  4.482  1469 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.947  4.481  1470 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.604  23.507 2247 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.611  23.131 2220 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.104  0.050  3546 ? 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 ? ? 0.10375 ? 0.05008 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.10375 ? 0.05008 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' 1.750 1.795  2055 . 94  1960 99.9513  . 0.263 . . 0.260 . . . . . 0.257 . 20 . 0.948 0.924 0.327 
'X-RAY DIFFRACTION' 1.795 1.845  1975 . 89  1886 100.0000 . 0.252 . . 0.251 . . . . . 0.241 . 20 . 0.952 0.941 0.285 
'X-RAY DIFFRACTION' 1.845 1.898  1971 . 106 1865 100.0000 . 0.232 . . 0.229 . . . . . 0.218 . 20 . 0.963 0.945 0.282 
'X-RAY DIFFRACTION' 1.898 1.956  1933 . 109 1824 100.0000 . 0.223 . . 0.221 . . . . . 0.204 . 20 . 0.966 0.948 0.261 
'X-RAY DIFFRACTION' 1.956 2.020  1824 . 80  1744 100.0000 . 0.229 . . 0.227 . . . . . 0.204 . 20 . 0.964 0.958 0.258 
'X-RAY DIFFRACTION' 2.020 2.091  1755 . 75  1679 99.9430  . 0.219 . . 0.217 . . . . . 0.195 . 20 . 0.969 0.956 0.263 
'X-RAY DIFFRACTION' 2.091 2.170  1743 . 85  1658 100.0000 . 0.208 . . 0.204 . . . . . 0.182 . 20 . 0.972 0.956 0.270 
'X-RAY DIFFRACTION' 2.170 2.258  1660 . 67  1593 100.0000 . 0.187 . . 0.185 . . . . . 0.163 . 20 . 0.977 0.960 0.246 
'X-RAY DIFFRACTION' 2.258 2.358  1621 . 88  1533 100.0000 . 0.205 . . 0.202 . . . . . 0.181 . 20 . 0.974 0.961 0.257 
'X-RAY DIFFRACTION' 2.358 2.473  1526 . 74  1452 100.0000 . 0.206 . . 0.202 . . . . . 0.178 . 20 . 0.976 0.946 0.305 
'X-RAY DIFFRACTION' 2.473 2.606  1470 . 70  1400 100.0000 . 0.196 . . 0.194 . . . . . 0.176 . 20 . 0.978 0.962 0.244 
'X-RAY DIFFRACTION' 2.606 2.764  1385 . 53  1331 99.9278  . 0.202 . . 0.203 . . . . . 0.186 . 20 . 0.976 0.976 0.190 
'X-RAY DIFFRACTION' 2.764 2.953  1311 . 54  1256 99.9237  . 0.212 . . 0.210 . . . . . 0.199 . 20 . 0.972 0.957 0.258 
'X-RAY DIFFRACTION' 2.953 3.189  1234 . 69  1165 100.0000 . 0.208 . . 0.208 . . . . . 0.203 . 20 . 0.974 0.972 0.208 
'X-RAY DIFFRACTION' 3.189 3.491  1178 . 56  1121 99.9151  . 0.231 . . 0.228 . . . . . 0.228 . 20 . 0.973 0.953 0.267 
'X-RAY DIFFRACTION' 3.491 3.900  1019 . 45  974  100.0000 . 0.222 . . 0.220 . . . . . 0.226 . 20 . 0.974 0.955 0.262 
'X-RAY DIFFRACTION' 3.900 4.497  935  . 63  871  99.8930  . 0.171 . . 0.170 . . . . . 0.184 . 20 . 0.984 0.980 0.189 
'X-RAY DIFFRACTION' 4.497 5.492  813  . 37  776  100.0000 . 0.180 . . 0.176 . . . . . 0.196 . 20 . 0.980 0.960 0.261 
'X-RAY DIFFRACTION' 5.492 7.702  638  . 31  607  100.0000 . 0.249 . . 0.248 . . . . . 0.273 . 20 . 0.969 0.956 0.265 
'X-RAY DIFFRACTION' 7.702 42.360 413  . 33  376  99.0315  . 0.266 . . 0.258 . . . . . 0.286 . 20 . 0.934 0.883 0.342 
# 
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 GLY 1 . A GLU 128 . A GLY 13 A GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . B GLY 13 B GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPK 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/j' 
_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        9GPK 
_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 9GPK A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPK 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 9GPK GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPK ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPK PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPK THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPK ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPK ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPK GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPK ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPK PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPK THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPK ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPK 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 GLY A 1  ? GLY A 10  ? GLY A 13  GLY A 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ASN A 62  ? HIS A 71  ASN A 74  5 ? 4  
HELX_P HELX_P3 AA3 ILE A 75 ? ALA A 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO A 109 ALA A 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA B 14  GLY B 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P8 AA8 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 4.82 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 1.40 
# 
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 ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA1 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA1 4 5 O LYS A 126 ? O LYS A 138 N LYS A 40  ? N LYS A 52  
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 ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA2 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA2 4 5 O LYS A 126 ? O LYS A 138 N LYS A 40  ? N LYS A 52  
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 ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
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 ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
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                   9GPK 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    307 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    329 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.06 
# 
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 B ARG 39 ? ? CZ B ARG 39 ? ? NH1 B ARG 39 ? ? 126.62 120.30 6.32  0.50 N 
2 1 NE B ARG 39 ? ? CZ B ARG 39 ? ? NH2 B ARG 39 ? ? 114.08 120.30 -6.22 0.50 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 ? ? -127.41 -105.55 
2 1 ALA B 112 ? ? -133.93 -105.40 
3 1 SER B 118 ? ? -157.34 76.57   
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 39 ? ? 0.108 'SIDE CHAIN' 
2 1 ARG B 39 ? ? 0.094 'SIDE CHAIN' 
# 
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 -9.8672  -15.4218 -29.3986 0.1189 ? 0.0732  ? -0.0098 ? 0.0546 ? -0.0252 ? 0.0758 ? 5.7230 ? 
-0.1773 ? 1.0811 ? 3.2098 ? -0.1071 ? 2.9322 ? 0.3601 ? 0.2750 ? -0.4827 ? -0.2034 ? -0.2401 ? 0.2641 ? 0.1272  ? 0.1867  ? 
-0.1200 ? 
2 'X-RAY DIFFRACTION' ? refined -18.4135 0.5302   -4.1450  0.0658 ? -0.0012 ? -0.0072 ? 0.0150 ? -0.0176 ? 0.0990 ? 3.0474 ? 
-0.8710 ? 0.0516 ? 3.7142 ? 0.6205  ? 3.7368 ? 0.0474 ? 0.0281 ? 0.4330  ? -0.2012 ? -0.1840 ? 0.2199 ? -0.2755 ? -0.0780 ? 0.1367 
? 
# 
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 13 ? ? ? A 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 13 ? ? ? B 201 ? ALL ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1INK C4   C Y N 1   
A1INK C14  C N N 2   
A1INK C5   C Y N 3   
A1INK C6   C Y N 4   
A1INK C11  C N N 5   
A1INK C7   C Y N 6   
A1INK C8   C N N 7   
A1INK C9   C N N 8   
A1INK C10  C N N 9   
A1INK C12  C Y N 10  
A1INK C13  C Y N 11  
A1INK N1   N Y N 12  
A1INK N2   N Y N 13  
A1INK C3   C Y N 14  
A1INK N3   N Y N 15  
A1INK C1   C N N 16  
A1INK O1   O N N 17  
A1INK C2   C Y N 18  
A1INK O2   O N N 19  
A1INK O3   O N N 20  
A1INK C15  C N N 21  
A1INK C16  C N N 22  
A1INK O4   O N N 23  
A1INK C17  C N N 24  
A1INK O5   O N N 25  
A1INK C18  C N S 26  
A1INK C19  C N N 27  
A1INK C20  C N N 28  
A1INK C21  C N N 29  
A1INK C22  C N N 30  
A1INK N4   N N N 31  
A1INK C23  C N N 32  
A1INK O6   O N N 33  
A1INK C24  C N S 34  
A1INK C25  C N N 35  
A1INK C26  C N N 36  
A1INK C27  C N N 37  
A1INK C28  C N N 38  
A1INK C29  C N N 39  
A1INK C30  C N N 40  
A1INK H17  H N N 41  
A1INK H16  H N N 42  
A1INK H5   H N N 43  
A1INK H14  H N N 44  
A1INK H13  H N N 45  
A1INK H7   H N N 46  
A1INK H8   H N N 47  
A1INK H6   H N N 48  
A1INK H9   H N N 49  
A1INK H10  H N N 50  
A1INK H11  H N N 51  
A1INK H12  H N N 52  
A1INK H15  H N N 53  
A1INK H4   H N N 54  
A1INK H2   H N N 55  
A1INK H3   H N N 56  
A1INK H1   H N N 57  
A1INK H19  H N N 58  
A1INK H18  H N N 59  
A1INK H21  H N N 60  
A1INK H20  H N N 61  
A1INK H22  H N N 62  
A1INK H24  H N N 63  
A1INK H23  H N N 64  
A1INK H25  H N N 65  
A1INK H26  H N N 66  
A1INK H27  H N N 67  
A1INK H28  H N N 68  
A1INK H29  H N N 69  
A1INK H30  H N N 70  
A1INK H31  H N N 71  
A1INK H32  H N N 72  
A1INK H33  H N N 73  
A1INK H34  H N N 74  
A1INK H36  H N N 75  
A1INK H35  H N N 76  
A1INK H38  H N N 77  
A1INK H37  H N N 78  
A1INK H40  H N N 79  
A1INK H39  H N N 80  
A1INK H41  H N N 81  
A1INK H42  H N N 82  
ALA   N    N N N 83  
ALA   CA   C N S 84  
ALA   C    C N N 85  
ALA   O    O N N 86  
ALA   CB   C N N 87  
ALA   OXT  O N N 88  
ALA   H    H N N 89  
ALA   H2   H N N 90  
ALA   HA   H N N 91  
ALA   HB1  H N N 92  
ALA   HB2  H N N 93  
ALA   HB3  H N N 94  
ALA   HXT  H N N 95  
ARG   N    N N N 96  
ARG   CA   C N S 97  
ARG   C    C N N 98  
ARG   O    O N N 99  
ARG   CB   C N N 100 
ARG   CG   C N N 101 
ARG   CD   C N N 102 
ARG   NE   N N N 103 
ARG   CZ   C N N 104 
ARG   NH1  N N N 105 
ARG   NH2  N N N 106 
ARG   OXT  O N N 107 
ARG   H    H N N 108 
ARG   H2   H N N 109 
ARG   HA   H N N 110 
ARG   HB2  H N N 111 
ARG   HB3  H N N 112 
ARG   HG2  H N N 113 
ARG   HG3  H N N 114 
ARG   HD2  H N N 115 
ARG   HD3  H N N 116 
ARG   HE   H N N 117 
ARG   HH11 H N N 118 
ARG   HH12 H N N 119 
ARG   HH21 H N N 120 
ARG   HH22 H N N 121 
ARG   HXT  H N N 122 
ASN   N    N N N 123 
ASN   CA   C N S 124 
ASN   C    C N N 125 
ASN   O    O N N 126 
ASN   CB   C N N 127 
ASN   CG   C N N 128 
ASN   OD1  O N N 129 
ASN   ND2  N N N 130 
ASN   OXT  O N N 131 
ASN   H    H N N 132 
ASN   H2   H N N 133 
ASN   HA   H N N 134 
ASN   HB2  H N N 135 
ASN   HB3  H N N 136 
ASN   HD21 H N N 137 
ASN   HD22 H N N 138 
ASN   HXT  H N N 139 
ASP   N    N N N 140 
ASP   CA   C N S 141 
ASP   C    C N N 142 
ASP   O    O N N 143 
ASP   CB   C N N 144 
ASP   CG   C N N 145 
ASP   OD1  O N N 146 
ASP   OD2  O N N 147 
ASP   OXT  O N N 148 
ASP   H    H N N 149 
ASP   H2   H N N 150 
ASP   HA   H N N 151 
ASP   HB2  H N N 152 
ASP   HB3  H N N 153 
ASP   HD2  H N N 154 
ASP   HXT  H N N 155 
CYS   N    N N N 156 
CYS   CA   C N R 157 
CYS   C    C N N 158 
CYS   O    O N N 159 
CYS   CB   C N N 160 
CYS   SG   S N N 161 
CYS   OXT  O N N 162 
CYS   H    H N N 163 
CYS   H2   H N N 164 
CYS   HA   H N N 165 
CYS   HB2  H N N 166 
CYS   HB3  H N N 167 
CYS   HG   H N N 168 
CYS   HXT  H N N 169 
GLN   N    N N N 170 
GLN   CA   C N S 171 
GLN   C    C N N 172 
GLN   O    O N N 173 
GLN   CB   C N N 174 
GLN   CG   C N N 175 
GLN   CD   C N N 176 
GLN   OE1  O N N 177 
GLN   NE2  N N N 178 
GLN   OXT  O N N 179 
GLN   H    H N N 180 
GLN   H2   H N N 181 
GLN   HA   H N N 182 
GLN   HB2  H N N 183 
GLN   HB3  H N N 184 
GLN   HG2  H N N 185 
GLN   HG3  H N N 186 
GLN   HE21 H N N 187 
GLN   HE22 H N N 188 
GLN   HXT  H N N 189 
GLU   N    N N N 190 
GLU   CA   C N S 191 
GLU   C    C N N 192 
GLU   O    O N N 193 
GLU   CB   C N N 194 
GLU   CG   C N N 195 
GLU   CD   C N N 196 
GLU   OE1  O N N 197 
GLU   OE2  O N N 198 
GLU   OXT  O N N 199 
GLU   H    H N N 200 
GLU   H2   H N N 201 
GLU   HA   H N N 202 
GLU   HB2  H N N 203 
GLU   HB3  H N N 204 
GLU   HG2  H N N 205 
GLU   HG3  H N N 206 
GLU   HE2  H N N 207 
GLU   HXT  H N N 208 
GLY   N    N N N 209 
GLY   CA   C N N 210 
GLY   C    C N N 211 
GLY   O    O N N 212 
GLY   OXT  O N N 213 
GLY   H    H N N 214 
GLY   H2   H N N 215 
GLY   HA2  H N N 216 
GLY   HA3  H N N 217 
GLY   HXT  H N N 218 
HIS   N    N N N 219 
HIS   CA   C N S 220 
HIS   C    C N N 221 
HIS   O    O N N 222 
HIS   CB   C N N 223 
HIS   CG   C Y N 224 
HIS   ND1  N Y N 225 
HIS   CD2  C Y N 226 
HIS   CE1  C Y N 227 
HIS   NE2  N Y N 228 
HIS   OXT  O N N 229 
HIS   H    H N N 230 
HIS   H2   H N N 231 
HIS   HA   H N N 232 
HIS   HB2  H N N 233 
HIS   HB3  H N N 234 
HIS   HD1  H N N 235 
HIS   HD2  H N N 236 
HIS   HE1  H N N 237 
HIS   HE2  H N N 238 
HIS   HXT  H N N 239 
HOH   O    O N N 240 
HOH   H1   H N N 241 
HOH   H2   H N N 242 
ILE   N    N N N 243 
ILE   CA   C N S 244 
ILE   C    C N N 245 
ILE   O    O N N 246 
ILE   CB   C N S 247 
ILE   CG1  C N N 248 
ILE   CG2  C N N 249 
ILE   CD1  C N N 250 
ILE   OXT  O N N 251 
ILE   H    H N N 252 
ILE   H2   H N N 253 
ILE   HA   H N N 254 
ILE   HB   H N N 255 
ILE   HG12 H N N 256 
ILE   HG13 H N N 257 
ILE   HG21 H N N 258 
ILE   HG22 H N N 259 
ILE   HG23 H N N 260 
ILE   HD11 H N N 261 
ILE   HD12 H N N 262 
ILE   HD13 H N N 263 
ILE   HXT  H N N 264 
LEU   N    N N N 265 
LEU   CA   C N S 266 
LEU   C    C N N 267 
LEU   O    O N N 268 
LEU   CB   C N N 269 
LEU   CG   C N N 270 
LEU   CD1  C N N 271 
LEU   CD2  C N N 272 
LEU   OXT  O N N 273 
LEU   H    H N N 274 
LEU   H2   H N N 275 
LEU   HA   H N N 276 
LEU   HB2  H N N 277 
LEU   HB3  H N N 278 
LEU   HG   H N N 279 
LEU   HD11 H N N 280 
LEU   HD12 H N N 281 
LEU   HD13 H N N 282 
LEU   HD21 H N N 283 
LEU   HD22 H N N 284 
LEU   HD23 H N N 285 
LEU   HXT  H N N 286 
LYS   N    N N N 287 
LYS   CA   C N S 288 
LYS   C    C N N 289 
LYS   O    O N N 290 
LYS   CB   C N N 291 
LYS   CG   C N N 292 
LYS   CD   C N N 293 
LYS   CE   C N N 294 
LYS   NZ   N N N 295 
LYS   OXT  O N N 296 
LYS   H    H N N 297 
LYS   H2   H N N 298 
LYS   HA   H N N 299 
LYS   HB2  H N N 300 
LYS   HB3  H N N 301 
LYS   HG2  H N N 302 
LYS   HG3  H N N 303 
LYS   HD2  H N N 304 
LYS   HD3  H N N 305 
LYS   HE2  H N N 306 
LYS   HE3  H N N 307 
LYS   HZ1  H N N 308 
LYS   HZ2  H N N 309 
LYS   HZ3  H N N 310 
LYS   HXT  H N N 311 
MET   N    N N N 312 
MET   CA   C N S 313 
MET   C    C N N 314 
MET   O    O N N 315 
MET   CB   C N N 316 
MET   CG   C N N 317 
MET   SD   S N N 318 
MET   CE   C N N 319 
MET   OXT  O N N 320 
MET   H    H N N 321 
MET   H2   H N N 322 
MET   HA   H N N 323 
MET   HB2  H N N 324 
MET   HB3  H N N 325 
MET   HG2  H N N 326 
MET   HG3  H N N 327 
MET   HE1  H N N 328 
MET   HE2  H N N 329 
MET   HE3  H N N 330 
MET   HXT  H N N 331 
PHE   N    N N N 332 
PHE   CA   C N S 333 
PHE   C    C N N 334 
PHE   O    O N N 335 
PHE   CB   C N N 336 
PHE   CG   C Y N 337 
PHE   CD1  C Y N 338 
PHE   CD2  C Y N 339 
PHE   CE1  C Y N 340 
PHE   CE2  C Y N 341 
PHE   CZ   C Y N 342 
PHE   OXT  O N N 343 
PHE   H    H N N 344 
PHE   H2   H N N 345 
PHE   HA   H N N 346 
PHE   HB2  H N N 347 
PHE   HB3  H N N 348 
PHE   HD1  H N N 349 
PHE   HD2  H N N 350 
PHE   HE1  H N N 351 
PHE   HE2  H N N 352 
PHE   HZ   H N N 353 
PHE   HXT  H N N 354 
PRO   N    N N N 355 
PRO   CA   C N S 356 
PRO   C    C N N 357 
PRO   O    O N N 358 
PRO   CB   C N N 359 
PRO   CG   C N N 360 
PRO   CD   C N N 361 
PRO   OXT  O N N 362 
PRO   H    H N N 363 
PRO   HA   H N N 364 
PRO   HB2  H N N 365 
PRO   HB3  H N N 366 
PRO   HG2  H N N 367 
PRO   HG3  H N N 368 
PRO   HD2  H N N 369 
PRO   HD3  H N N 370 
PRO   HXT  H N N 371 
SER   N    N N N 372 
SER   CA   C N S 373 
SER   C    C N N 374 
SER   O    O N N 375 
SER   CB   C N N 376 
SER   OG   O N N 377 
SER   OXT  O N N 378 
SER   H    H N N 379 
SER   H2   H N N 380 
SER   HA   H N N 381 
SER   HB2  H N N 382 
SER   HB3  H N N 383 
SER   HG   H N N 384 
SER   HXT  H N N 385 
THR   N    N N N 386 
THR   CA   C N S 387 
THR   C    C N N 388 
THR   O    O N N 389 
THR   CB   C N R 390 
THR   OG1  O N N 391 
THR   CG2  C N N 392 
THR   OXT  O N N 393 
THR   H    H N N 394 
THR   H2   H N N 395 
THR   HA   H N N 396 
THR   HB   H N N 397 
THR   HG1  H N N 398 
THR   HG21 H N N 399 
THR   HG22 H N N 400 
THR   HG23 H N N 401 
THR   HXT  H N N 402 
TRP   N    N N N 403 
TRP   CA   C N S 404 
TRP   C    C N N 405 
TRP   O    O N N 406 
TRP   CB   C N N 407 
TRP   CG   C Y N 408 
TRP   CD1  C Y N 409 
TRP   CD2  C Y N 410 
TRP   NE1  N Y N 411 
TRP   CE2  C Y N 412 
TRP   CE3  C Y N 413 
TRP   CZ2  C Y N 414 
TRP   CZ3  C Y N 415 
TRP   CH2  C Y N 416 
TRP   OXT  O N N 417 
TRP   H    H N N 418 
TRP   H2   H N N 419 
TRP   HA   H N N 420 
TRP   HB2  H N N 421 
TRP   HB3  H N N 422 
TRP   HD1  H N N 423 
TRP   HE1  H N N 424 
TRP   HE3  H N N 425 
TRP   HZ2  H N N 426 
TRP   HZ3  H N N 427 
TRP   HH2  H N N 428 
TRP   HXT  H N N 429 
TYR   N    N N N 430 
TYR   CA   C N S 431 
TYR   C    C N N 432 
TYR   O    O N N 433 
TYR   CB   C N N 434 
TYR   CG   C Y N 435 
TYR   CD1  C Y N 436 
TYR   CD2  C Y N 437 
TYR   CE1  C Y N 438 
TYR   CE2  C Y N 439 
TYR   CZ   C Y N 440 
TYR   OH   O N N 441 
TYR   OXT  O N N 442 
TYR   H    H N N 443 
TYR   H2   H N N 444 
TYR   HA   H N N 445 
TYR   HB2  H N N 446 
TYR   HB3  H N N 447 
TYR   HD1  H N N 448 
TYR   HD2  H N N 449 
TYR   HE1  H N N 450 
TYR   HE2  H N N 451 
TYR   HH   H N N 452 
TYR   HXT  H N N 453 
VAL   N    N N N 454 
VAL   CA   C N S 455 
VAL   C    C N N 456 
VAL   O    O N N 457 
VAL   CB   C N N 458 
VAL   CG1  C N N 459 
VAL   CG2  C N N 460 
VAL   OXT  O N N 461 
VAL   H    H N N 462 
VAL   H2   H N N 463 
VAL   HA   H N N 464 
VAL   HB   H N N 465 
VAL   HG11 H N N 466 
VAL   HG12 H N N 467 
VAL   HG13 H N N 468 
VAL   HG21 H N N 469 
VAL   HG22 H N N 470 
VAL   HG23 H N N 471 
VAL   HXT  H N N 472 
# 
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 
A1INK C29 C30  sing N N 1   
A1INK C29 C28  sing N N 2   
A1INK C19 C20  sing N N 3   
A1INK C19 C18  sing N N 4   
A1INK C30 C25  sing N N 5   
A1INK C20 C21  sing N N 6   
A1INK C28 C27  sing N N 7   
A1INK C21 C22  sing N N 8   
A1INK C18 N4   sing N N 9   
A1INK C18 C17  sing N N 10  
A1INK N4  C22  sing N N 11  
A1INK N4  C23  sing N N 12  
A1INK O6  C23  doub N N 13  
A1INK C23 C24  sing N N 14  
A1INK C25 C24  sing N N 15  
A1INK C25 C26  sing N N 16  
A1INK C27 C26  sing N N 17  
A1INK C24 C4   sing N N 18  
A1INK O5  C17  doub N N 19  
A1INK C17 O4   sing N N 20  
A1INK O4  C16  sing N N 21  
A1INK C4  C5   doub Y N 22  
A1INK C4  C3   sing Y N 23  
A1INK C5  C6   sing Y N 24  
A1INK C3  C2   doub Y N 25  
A1INK C16 C15  sing N N 26  
A1INK C12 C13  doub Y N 27  
A1INK C12 N1   sing Y N 28  
A1INK C14 C15  sing N N 29  
A1INK C14 C13  sing N N 30  
A1INK C13 N2   sing Y N 31  
A1INK C6  O3   sing N N 32  
A1INK C6  C7   doub Y N 33  
A1INK C9  O3   sing N N 34  
A1INK C9  C10  sing N N 35  
A1INK C11 N1   sing N N 36  
A1INK C11 C10  sing N N 37  
A1INK C2  C7   sing Y N 38  
A1INK C2  O1   sing N N 39  
A1INK N1  N3   sing Y N 40  
A1INK C1  O1   sing N N 41  
A1INK C7  O2   sing N N 42  
A1INK N2  N3   doub Y N 43  
A1INK O2  C8   sing N N 44  
A1INK C14 H17  sing N N 45  
A1INK C14 H16  sing N N 46  
A1INK C5  H5   sing N N 47  
A1INK C11 H14  sing N N 48  
A1INK C11 H13  sing N N 49  
A1INK C8  H7   sing N N 50  
A1INK C8  H8   sing N N 51  
A1INK C8  H6   sing N N 52  
A1INK C9  H9   sing N N 53  
A1INK C9  H10  sing N N 54  
A1INK C10 H11  sing N N 55  
A1INK C10 H12  sing N N 56  
A1INK C12 H15  sing N N 57  
A1INK C3  H4   sing N N 58  
A1INK C1  H2   sing N N 59  
A1INK C1  H3   sing N N 60  
A1INK C1  H1   sing N N 61  
A1INK C15 H19  sing N N 62  
A1INK C15 H18  sing N N 63  
A1INK C16 H21  sing N N 64  
A1INK C16 H20  sing N N 65  
A1INK C18 H22  sing N N 66  
A1INK C19 H24  sing N N 67  
A1INK C19 H23  sing N N 68  
A1INK C20 H25  sing N N 69  
A1INK C20 H26  sing N N 70  
A1INK C21 H27  sing N N 71  
A1INK C21 H28  sing N N 72  
A1INK C22 H29  sing N N 73  
A1INK C22 H30  sing N N 74  
A1INK C24 H31  sing N N 75  
A1INK C25 H32  sing N N 76  
A1INK C26 H33  sing N N 77  
A1INK C26 H34  sing N N 78  
A1INK C27 H36  sing N N 79  
A1INK C27 H35  sing N N 80  
A1INK C28 H38  sing N N 81  
A1INK C28 H37  sing N N 82  
A1INK C29 H40  sing N N 83  
A1INK C29 H39  sing N N 84  
A1INK C30 H41  sing N N 85  
A1INK C30 H42  sing N N 86  
ALA   N   CA   sing N N 87  
ALA   N   H    sing N N 88  
ALA   N   H2   sing N N 89  
ALA   CA  C    sing N N 90  
ALA   CA  CB   sing N N 91  
ALA   CA  HA   sing N N 92  
ALA   C   O    doub N N 93  
ALA   C   OXT  sing N N 94  
ALA   CB  HB1  sing N N 95  
ALA   CB  HB2  sing N N 96  
ALA   CB  HB3  sing N N 97  
ALA   OXT HXT  sing N N 98  
ARG   N   CA   sing N N 99  
ARG   N   H    sing N N 100 
ARG   N   H2   sing N N 101 
ARG   CA  C    sing N N 102 
ARG   CA  CB   sing N N 103 
ARG   CA  HA   sing N N 104 
ARG   C   O    doub N N 105 
ARG   C   OXT  sing N N 106 
ARG   CB  CG   sing N N 107 
ARG   CB  HB2  sing N N 108 
ARG   CB  HB3  sing N N 109 
ARG   CG  CD   sing N N 110 
ARG   CG  HG2  sing N N 111 
ARG   CG  HG3  sing N N 112 
ARG   CD  NE   sing N N 113 
ARG   CD  HD2  sing N N 114 
ARG   CD  HD3  sing N N 115 
ARG   NE  CZ   sing N N 116 
ARG   NE  HE   sing N N 117 
ARG   CZ  NH1  sing N N 118 
ARG   CZ  NH2  doub N N 119 
ARG   NH1 HH11 sing N N 120 
ARG   NH1 HH12 sing N N 121 
ARG   NH2 HH21 sing N N 122 
ARG   NH2 HH22 sing N N 123 
ARG   OXT HXT  sing N N 124 
ASN   N   CA   sing N N 125 
ASN   N   H    sing N N 126 
ASN   N   H2   sing N N 127 
ASN   CA  C    sing N N 128 
ASN   CA  CB   sing N N 129 
ASN   CA  HA   sing N N 130 
ASN   C   O    doub N N 131 
ASN   C   OXT  sing N N 132 
ASN   CB  CG   sing N N 133 
ASN   CB  HB2  sing N N 134 
ASN   CB  HB3  sing N N 135 
ASN   CG  OD1  doub N N 136 
ASN   CG  ND2  sing N N 137 
ASN   ND2 HD21 sing N N 138 
ASN   ND2 HD22 sing N N 139 
ASN   OXT HXT  sing N N 140 
ASP   N   CA   sing N N 141 
ASP   N   H    sing N N 142 
ASP   N   H2   sing N N 143 
ASP   CA  C    sing N N 144 
ASP   CA  CB   sing N N 145 
ASP   CA  HA   sing N N 146 
ASP   C   O    doub N N 147 
ASP   C   OXT  sing N N 148 
ASP   CB  CG   sing N N 149 
ASP   CB  HB2  sing N N 150 
ASP   CB  HB3  sing N N 151 
ASP   CG  OD1  doub N N 152 
ASP   CG  OD2  sing N N 153 
ASP   OD2 HD2  sing N N 154 
ASP   OXT HXT  sing N N 155 
CYS   N   CA   sing N N 156 
CYS   N   H    sing N N 157 
CYS   N   H2   sing N N 158 
CYS   CA  C    sing N N 159 
CYS   CA  CB   sing N N 160 
CYS   CA  HA   sing N N 161 
CYS   C   O    doub N N 162 
CYS   C   OXT  sing N N 163 
CYS   CB  SG   sing N N 164 
CYS   CB  HB2  sing N N 165 
CYS   CB  HB3  sing N N 166 
CYS   SG  HG   sing N N 167 
CYS   OXT HXT  sing N N 168 
GLN   N   CA   sing N N 169 
GLN   N   H    sing N N 170 
GLN   N   H2   sing N N 171 
GLN   CA  C    sing N N 172 
GLN   CA  CB   sing N N 173 
GLN   CA  HA   sing N N 174 
GLN   C   O    doub N N 175 
GLN   C   OXT  sing N N 176 
GLN   CB  CG   sing N N 177 
GLN   CB  HB2  sing N N 178 
GLN   CB  HB3  sing N N 179 
GLN   CG  CD   sing N N 180 
GLN   CG  HG2  sing N N 181 
GLN   CG  HG3  sing N N 182 
GLN   CD  OE1  doub N N 183 
GLN   CD  NE2  sing N N 184 
GLN   NE2 HE21 sing N N 185 
GLN   NE2 HE22 sing N N 186 
GLN   OXT HXT  sing N N 187 
GLU   N   CA   sing N N 188 
GLU   N   H    sing N N 189 
GLU   N   H2   sing N N 190 
GLU   CA  C    sing N N 191 
GLU   CA  CB   sing N N 192 
GLU   CA  HA   sing N N 193 
GLU   C   O    doub N N 194 
GLU   C   OXT  sing N N 195 
GLU   CB  CG   sing N N 196 
GLU   CB  HB2  sing N N 197 
GLU   CB  HB3  sing N N 198 
GLU   CG  CD   sing N N 199 
GLU   CG  HG2  sing N N 200 
GLU   CG  HG3  sing N N 201 
GLU   CD  OE1  doub N N 202 
GLU   CD  OE2  sing N N 203 
GLU   OE2 HE2  sing N N 204 
GLU   OXT HXT  sing N N 205 
GLY   N   CA   sing N N 206 
GLY   N   H    sing N N 207 
GLY   N   H2   sing N N 208 
GLY   CA  C    sing N N 209 
GLY   CA  HA2  sing N N 210 
GLY   CA  HA3  sing N N 211 
GLY   C   O    doub N N 212 
GLY   C   OXT  sing N N 213 
GLY   OXT HXT  sing N N 214 
HIS   N   CA   sing N N 215 
HIS   N   H    sing N N 216 
HIS   N   H2   sing N N 217 
HIS   CA  C    sing N N 218 
HIS   CA  CB   sing N N 219 
HIS   CA  HA   sing N N 220 
HIS   C   O    doub N N 221 
HIS   C   OXT  sing N N 222 
HIS   CB  CG   sing N N 223 
HIS   CB  HB2  sing N N 224 
HIS   CB  HB3  sing N N 225 
HIS   CG  ND1  sing Y N 226 
HIS   CG  CD2  doub Y N 227 
HIS   ND1 CE1  doub Y N 228 
HIS   ND1 HD1  sing N N 229 
HIS   CD2 NE2  sing Y N 230 
HIS   CD2 HD2  sing N N 231 
HIS   CE1 NE2  sing Y N 232 
HIS   CE1 HE1  sing N N 233 
HIS   NE2 HE2  sing N N 234 
HIS   OXT HXT  sing N N 235 
HOH   O   H1   sing N N 236 
HOH   O   H2   sing N N 237 
ILE   N   CA   sing N N 238 
ILE   N   H    sing N N 239 
ILE   N   H2   sing N N 240 
ILE   CA  C    sing N N 241 
ILE   CA  CB   sing N N 242 
ILE   CA  HA   sing N N 243 
ILE   C   O    doub N N 244 
ILE   C   OXT  sing N N 245 
ILE   CB  CG1  sing N N 246 
ILE   CB  CG2  sing N N 247 
ILE   CB  HB   sing N N 248 
ILE   CG1 CD1  sing N N 249 
ILE   CG1 HG12 sing N N 250 
ILE   CG1 HG13 sing N N 251 
ILE   CG2 HG21 sing N N 252 
ILE   CG2 HG22 sing N N 253 
ILE   CG2 HG23 sing N N 254 
ILE   CD1 HD11 sing N N 255 
ILE   CD1 HD12 sing N N 256 
ILE   CD1 HD13 sing N N 257 
ILE   OXT HXT  sing N N 258 
LEU   N   CA   sing N N 259 
LEU   N   H    sing N N 260 
LEU   N   H2   sing N N 261 
LEU   CA  C    sing N N 262 
LEU   CA  CB   sing N N 263 
LEU   CA  HA   sing N N 264 
LEU   C   O    doub N N 265 
LEU   C   OXT  sing N N 266 
LEU   CB  CG   sing N N 267 
LEU   CB  HB2  sing N N 268 
LEU   CB  HB3  sing N N 269 
LEU   CG  CD1  sing N N 270 
LEU   CG  CD2  sing N N 271 
LEU   CG  HG   sing N N 272 
LEU   CD1 HD11 sing N N 273 
LEU   CD1 HD12 sing N N 274 
LEU   CD1 HD13 sing N N 275 
LEU   CD2 HD21 sing N N 276 
LEU   CD2 HD22 sing N N 277 
LEU   CD2 HD23 sing N N 278 
LEU   OXT HXT  sing N N 279 
LYS   N   CA   sing N N 280 
LYS   N   H    sing N N 281 
LYS   N   H2   sing N N 282 
LYS   CA  C    sing N N 283 
LYS   CA  CB   sing N N 284 
LYS   CA  HA   sing N N 285 
LYS   C   O    doub N N 286 
LYS   C   OXT  sing N N 287 
LYS   CB  CG   sing N N 288 
LYS   CB  HB2  sing N N 289 
LYS   CB  HB3  sing N N 290 
LYS   CG  CD   sing N N 291 
LYS   CG  HG2  sing N N 292 
LYS   CG  HG3  sing N N 293 
LYS   CD  CE   sing N N 294 
LYS   CD  HD2  sing N N 295 
LYS   CD  HD3  sing N N 296 
LYS   CE  NZ   sing N N 297 
LYS   CE  HE2  sing N N 298 
LYS   CE  HE3  sing N N 299 
LYS   NZ  HZ1  sing N N 300 
LYS   NZ  HZ2  sing N N 301 
LYS   NZ  HZ3  sing N N 302 
LYS   OXT HXT  sing N N 303 
MET   N   CA   sing N N 304 
MET   N   H    sing N N 305 
MET   N   H2   sing N N 306 
MET   CA  C    sing N N 307 
MET   CA  CB   sing N N 308 
MET   CA  HA   sing N N 309 
MET   C   O    doub N N 310 
MET   C   OXT  sing N N 311 
MET   CB  CG   sing N N 312 
MET   CB  HB2  sing N N 313 
MET   CB  HB3  sing N N 314 
MET   CG  SD   sing N N 315 
MET   CG  HG2  sing N N 316 
MET   CG  HG3  sing N N 317 
MET   SD  CE   sing N N 318 
MET   CE  HE1  sing N N 319 
MET   CE  HE2  sing N N 320 
MET   CE  HE3  sing N N 321 
MET   OXT HXT  sing N N 322 
PHE   N   CA   sing N N 323 
PHE   N   H    sing N N 324 
PHE   N   H2   sing N N 325 
PHE   CA  C    sing N N 326 
PHE   CA  CB   sing N N 327 
PHE   CA  HA   sing N N 328 
PHE   C   O    doub N N 329 
PHE   C   OXT  sing N N 330 
PHE   CB  CG   sing N N 331 
PHE   CB  HB2  sing N N 332 
PHE   CB  HB3  sing N N 333 
PHE   CG  CD1  doub Y N 334 
PHE   CG  CD2  sing Y N 335 
PHE   CD1 CE1  sing Y N 336 
PHE   CD1 HD1  sing N N 337 
PHE   CD2 CE2  doub Y N 338 
PHE   CD2 HD2  sing N N 339 
PHE   CE1 CZ   doub Y N 340 
PHE   CE1 HE1  sing N N 341 
PHE   CE2 CZ   sing Y N 342 
PHE   CE2 HE2  sing N N 343 
PHE   CZ  HZ   sing N N 344 
PHE   OXT HXT  sing N N 345 
PRO   N   CA   sing N N 346 
PRO   N   CD   sing N N 347 
PRO   N   H    sing N N 348 
PRO   CA  C    sing N N 349 
PRO   CA  CB   sing N N 350 
PRO   CA  HA   sing N N 351 
PRO   C   O    doub N N 352 
PRO   C   OXT  sing N N 353 
PRO   CB  CG   sing N N 354 
PRO   CB  HB2  sing N N 355 
PRO   CB  HB3  sing N N 356 
PRO   CG  CD   sing N N 357 
PRO   CG  HG2  sing N N 358 
PRO   CG  HG3  sing N N 359 
PRO   CD  HD2  sing N N 360 
PRO   CD  HD3  sing N N 361 
PRO   OXT HXT  sing N N 362 
SER   N   CA   sing N N 363 
SER   N   H    sing N N 364 
SER   N   H2   sing N N 365 
SER   CA  C    sing N N 366 
SER   CA  CB   sing N N 367 
SER   CA  HA   sing N N 368 
SER   C   O    doub N N 369 
SER   C   OXT  sing N N 370 
SER   CB  OG   sing N N 371 
SER   CB  HB2  sing N N 372 
SER   CB  HB3  sing N N 373 
SER   OG  HG   sing N N 374 
SER   OXT HXT  sing N N 375 
THR   N   CA   sing N N 376 
THR   N   H    sing N N 377 
THR   N   H2   sing N N 378 
THR   CA  C    sing N N 379 
THR   CA  CB   sing N N 380 
THR   CA  HA   sing N N 381 
THR   C   O    doub N N 382 
THR   C   OXT  sing N N 383 
THR   CB  OG1  sing N N 384 
THR   CB  CG2  sing N N 385 
THR   CB  HB   sing N N 386 
THR   OG1 HG1  sing N N 387 
THR   CG2 HG21 sing N N 388 
THR   CG2 HG22 sing N N 389 
THR   CG2 HG23 sing N N 390 
THR   OXT HXT  sing N N 391 
TRP   N   CA   sing N N 392 
TRP   N   H    sing N N 393 
TRP   N   H2   sing N N 394 
TRP   CA  C    sing N N 395 
TRP   CA  CB   sing N N 396 
TRP   CA  HA   sing N N 397 
TRP   C   O    doub N N 398 
TRP   C   OXT  sing N N 399 
TRP   CB  CG   sing N N 400 
TRP   CB  HB2  sing N N 401 
TRP   CB  HB3  sing N N 402 
TRP   CG  CD1  doub Y N 403 
TRP   CG  CD2  sing Y N 404 
TRP   CD1 NE1  sing Y N 405 
TRP   CD1 HD1  sing N N 406 
TRP   CD2 CE2  doub Y N 407 
TRP   CD2 CE3  sing Y N 408 
TRP   NE1 CE2  sing Y N 409 
TRP   NE1 HE1  sing N N 410 
TRP   CE2 CZ2  sing Y N 411 
TRP   CE3 CZ3  doub Y N 412 
TRP   CE3 HE3  sing N N 413 
TRP   CZ2 CH2  doub Y N 414 
TRP   CZ2 HZ2  sing N N 415 
TRP   CZ3 CH2  sing Y N 416 
TRP   CZ3 HZ3  sing N N 417 
TRP   CH2 HH2  sing N N 418 
TRP   OXT HXT  sing N N 419 
TYR   N   CA   sing N N 420 
TYR   N   H    sing N N 421 
TYR   N   H2   sing N N 422 
TYR   CA  C    sing N N 423 
TYR   CA  CB   sing N N 424 
TYR   CA  HA   sing N N 425 
TYR   C   O    doub N N 426 
TYR   C   OXT  sing N N 427 
TYR   CB  CG   sing N N 428 
TYR   CB  HB2  sing N N 429 
TYR   CB  HB3  sing N N 430 
TYR   CG  CD1  doub Y N 431 
TYR   CG  CD2  sing Y N 432 
TYR   CD1 CE1  sing Y N 433 
TYR   CD1 HD1  sing N N 434 
TYR   CD2 CE2  doub Y N 435 
TYR   CD2 HD2  sing N N 436 
TYR   CE1 CZ   doub Y N 437 
TYR   CE1 HE1  sing N N 438 
TYR   CE2 CZ   sing Y N 439 
TYR   CE2 HE2  sing N N 440 
TYR   CZ  OH   sing N N 441 
TYR   OH  HH   sing N N 442 
TYR   OXT HXT  sing N N 443 
VAL   N   CA   sing N N 444 
VAL   N   H    sing N N 445 
VAL   N   H2   sing N N 446 
VAL   CA  C    sing N N 447 
VAL   CA  CB   sing N N 448 
VAL   CA  HA   sing N N 449 
VAL   C   O    doub N N 450 
VAL   C   OXT  sing N N 451 
VAL   CB  CG1  sing N N 452 
VAL   CB  CG2  sing N N 453 
VAL   CB  HB   sing N N 454 
VAL   CG1 HG11 sing N N 455 
VAL   CG1 HG12 sing N N 456 
VAL   CG1 HG13 sing N N 457 
VAL   CG2 HG21 sing N N 458 
VAL   CG2 HG22 sing N N 459 
VAL   CG2 HG23 sing N N 460 
VAL   OXT HXT  sing N N 461 
# 
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                    9GPK 
_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]   0.020462 
_atom_sites.fract_transf_matrix[1][2]   0.011814 
_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]   0.023627 
_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]   0.005108 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0316   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N    . GLY   A 1 1   ? 4.971   -20.198 -38.614 1   57.741 ? 13  GLY   A N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? 3.838   -20.899 -38.009 1   58.081 ? 13  GLY   A CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? 2.49    -20.18  -38.209 1   54.764 ? 13  GLY   A C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? 2.34    -19.175 -38.927 1   54.689 ? 13  GLY   A O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? 5.744   -20.622 -38.407 1   59.752 ? 13  GLY   A H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? 5.011   -19.348 -38.306 1   56.912 ? 13  GLY   A H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? 4.879   -20.18  -39.515 1   60.153 ? 13  GLY   A H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? 3.779   -21.795 -38.398 1   59.181 ? 13  GLY   A HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? 4.009   -21.003 -37.044 1   55.88  ? 13  GLY   A HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? 1.476   -20.72  -37.553 1   51.397 ? 14  ALA   A N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? 0.146   -20.147 -37.703 1   50.818 ? 14  ALA   A CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? 0.111   -18.648 -37.312 1   47.714 ? 14  ALA   A C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -0.572  -17.84  -37.956 1   46.499 ? 14  ALA   A O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -0.815  -20.982 -36.889 1   50.694 ? 14  ALA   A CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? 1.601   -21.446 -37.013 1   52.246 ? 14  ALA   A H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -0.109  -20.217 -38.664 1   52.261 ? 14  ALA   A HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -0.952  -21.84  -37.325 1   52.122 ? 14  ALA   A HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -0.452  -21.13  -36     1   49.389 ? 14  ALA   A HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -1.667  -20.52  -36.814 1   48.835 ? 14  ALA   A HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? 0.797   -18.193 -36.254 1   41.367 ? 15  PRO   A N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? 0.805   -16.772 -35.936 1   41.756 ? 15  PRO   A CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? 1.354   -15.885 -37.061 1   44.288 ? 15  PRO   A C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? 0.755   -14.83  -37.362 1   44.931 ? 15  PRO   A O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? 1.559   -16.679 -34.646 1   42.709 ? 15  PRO   A CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? 1.506   -18.111 -34.047 1   42.983 ? 15  PRO   A CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? 1.384   -19.027 -35.198 1   44.803 ? 15  PRO   A CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -0.118  -16.495 -35.755 1   40.405 ? 15  PRO   A HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? 2.483   -16.402 -34.802 1   43.329 ? 15  PRO   A HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? 1.138   -16.035 -34.044 1   40.486 ? 15  PRO   A HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? 2.32    -18.304 -33.542 1   43.335 ? 15  PRO   A HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? 0.737   -18.208 -33.451 1   41.37  ? 15  PRO   A HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? 2.259   -19.365 -35.471 1   45.855 ? 15  PRO   A HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? 0.802   -19.779 -34.985 1   43.966 ? 15  PRO   A HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? 2.429   -16.317 -37.716 1   46.793 ? 16  ALA   A N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? 3.021   -15.559 -38.806 1   48.088 ? 16  ALA   A CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? 2.045   -15.483 -39.97  1   54.664 ? 16  ALA   A C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? 1.977   -14.471 -40.656 1   59.473 ? 16  ALA   A O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? 4.341   -16.221 -39.273 1   52.75  ? 16  ALA   A CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? 2.812   -17.11  -37.473 1   47.204 ? 16  ALA   A H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? 3.207   -14.633 -38.485 1   48.658 ? 16  ALA   A HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? 4.971   -16.253 -38.534 1   51.791 ? 16  ALA   A HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? 4.162   -17.125 -39.582 1   53.362 ? 16  ALA   A HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? 4.726   -15.704 -40.001 1   54.17  ? 16  ALA   A HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? 1.321   -16.573 -40.236 1   51.606 ? 17  THR   A N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? 0.347   -16.563 -41.295 1   53.282 ? 17  THR   A CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -0.734  -15.511 -40.981 1   46.286 ? 17  THR   A C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -1.271  -14.855 -41.872 1   54.298 ? 17  THR   A O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -0.249  -17.962 -41.508 1   55.709 ? 17  THR   A CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? 0.878   -18.764 -41.853 1   58.114 ? 17  THR   A OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -1.283  -17.986 -42.628 1   55.676 ? 17  THR   A CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? 1.446   -17.338 -39.751 1   52.144 ? 17  THR   A H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? 0.803   -16.299 -42.123 1   54.95  ? 17  THR   A HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -0.651  -18.294 -40.67  1   53.012 ? 17  THR   A HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? 1.244   -18.46  -42.55  0   30     ? 17  THR   A HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -1.428  -18.903 -42.916 1   57.634 ? 17  THR   A HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -0.961  -17.458 -43.378 1   57.932 ? 17  THR   A HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -2.12   -17.612 -42.306 1   54.226 ? 17  THR   A HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -1.1    -15.36  -39.731 1   46.455 ? 18  VAL   A N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -2.114  -14.388 -39.407 1   40.687 ? 18  VAL   A CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -1.545  -12.974 -39.554 1   46.844 ? 18  VAL   A C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -2.205  -12.109 -40.101 1   47.363 ? 18  VAL   A O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -2.705  -14.59  -38.014 1   39.323 ? 18  VAL   A CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -3.75   -13.503 -37.766 1   35.966 ? 18  VAL   A CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -3.285  -15.985 -37.82  1   38.862 ? 18  VAL   A CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -0.725  -15.864 -39.066 1   44.12  ? 18  VAL   A H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -2.839  -14.486 -40.052 1   43.51  ? 18  VAL   A HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -1.973  -14.468 -37.364 1   37.99  ? 18  VAL   A HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -4.254  -13.343 -38.581 1   37.608 ? 18  VAL   A HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -3.308  -12.683 -37.492 1   36.177 ? 18  VAL   A HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -4.357  -13.791 -37.063 1   35.013 ? 18  VAL   A HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -3.676  -16.053 -36.933 1   37.26  ? 18  VAL   A HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -2.583  -16.647 -37.914 1   40.173 ? 18  VAL   A HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -3.972  -16.146 -38.489 1   39.829 ? 18  VAL   A HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -0.33   -12.706 -39.067 1   48.056 ? 19  THR   A N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? 0.338   -11.445 -39.369 1   52.918 ? 19  THR   A CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? 0.241   -11.081 -40.866 1   57.667 ? 19  THR   A C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -0.058  -9.948  -41.21  1   55.119 ? 19  THR   A O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? 1.8     -11.514 -38.96  1   55.423 ? 19  THR   A CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? 1.818   -11.654 -37.552 1   45.789 ? 19  THR   A OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? 2.577   -10.247 -39.272 1   61.78  ? 19  THR   A CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? 0.091   -13.317 -38.532 1   48.11  ? 19  THR   A H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -0.097  -10.736 -38.847 1   51.256 ? 19  THR   A HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? 2.24    -12.291 -39.378 1   55.836 ? 19  THR   A HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? 1.401   -10.976 -37.212 0   30     ? 19  THR   A HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? 3.36    -10.196 -38.698 1   60.191 ? 19  THR   A HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? 2.011   -9.472  -39.116 1   59.447 ? 19  THR   A HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? 2.859   -10.259 -40.202 1   62.682 ? 19  THR   A HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? 0.402   -12.056 -41.757 1   58.057 ? 20  GLU   A N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? 0.493   -11.8   -43.192 1   65.379 ? 20  GLU   A CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -0.844  -11.912 -43.948 1   59.056 ? 20  GLU   A C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -1.007  -11.381 -45.024 1   64.622 ? 20  GLU   A O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? 1.503   -12.82  -43.734 1   71.147 ? 20  GLU   A CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? 0.465   -12.919 -41.463 1   58.685 ? 20  GLU   A H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? 0.859   -10.889 -43.328 1   64.586 ? 20  GLU   A HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? 2.445   -12.695 -43.622 0   30     ? 20  GLU   A HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? 0.944   -13.664 -44.126 0   30     ? 20  GLU   A HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? -1.763  -12.766 -43.52  1   56.673 ? 21  GLN   A N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? -3.003  -12.964 -44.262 1   61.019 ? 21  GLN   A CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? -4.223  -12.477 -43.479 1   53.027 ? 21  GLN   A C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? -5.328  -12.554 -44.02  1   54.313 ? 21  GLN   A O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? -3.395  -14.428 -44.471 1   68.996 ? 21  GLN   A CB   1 ? 1 
ATOM   102  C CG   . GLN   A 1 9   ? -2.289  -15.373 -44.91  1   78.001 ? 21  GLN   A CG   1 ? 1 
ATOM   103  C CD   . GLN   A 1 9   ? -1.804  -15.035 -46.274 1   78.114 ? 21  GLN   A CD   1 ? 1 
ATOM   104  O OE1  . GLN   A 1 9   ? -2.534  -14.416 -47.046 1   89.843 ? 21  GLN   A OE1  1 ? 1 
ATOM   105  N NE2  . GLN   A 1 9   ? -0.585  -15.44  -46.578 1   89.86  ? 21  GLN   A NE2  1 ? 1 
ATOM   106  H H    . GLN   A 1 9   ? -1.616  -13.253 -42.76  1   55.835 ? 21  GLN   A H    1 c 1 
ATOM   107  H HA   . GLN   A 1 9   ? -2.954  -12.491 -45.13  1   62.835 ? 21  GLN   A HA   1 c 1 
ATOM   108  H HB2  . GLN   A 1 9   ? -3.769  -14.763 -43.633 1   65.791 ? 21  GLN   A HB2  1 c 1 
ATOM   109  H HB3  . GLN   A 1 9   ? -4.112  -14.46  -45.139 1   69.638 ? 21  GLN   A HB3  1 c 1 
ATOM   110  H HG2  . GLN   A 1 9   ? -1.54   -15.319 -44.28  1   74.35  ? 21  GLN   A HG2  1 c 1 
ATOM   111  H HG3  . GLN   A 1 9   ? -2.623  -16.295 -44.905 1   75.74  ? 21  GLN   A HG3  1 c 1 
ATOM   112  H HE21 . GLN   A 1 9   ? -0.202  -15.161 -47.328 1   89.43  ? 21  GLN   A HE21 1 c 1 
ATOM   113  H HE22 . GLN   A 1 9   ? -0.148  -15.991 -46.035 1   85.927 ? 21  GLN   A HE22 1 c 1 
ATOM   114  N N    . GLY   A 1 10  ? -4.04   -12.15  -42.175 1   48.449 ? 22  GLY   A N    1 ? 1 
ATOM   115  C CA   . GLY   A 1 10  ? -5.176  -11.966 -41.304 1   43.068 ? 22  GLY   A CA   1 ? 1 
ATOM   116  C C    . GLY   A 1 10  ? -5.895  -10.661 -41.639 1   48.421 ? 22  GLY   A C    1 ? 1 
ATOM   117  O O    . GLY   A 1 10  ? -5.228  -9.682  -41.932 1   46.757 ? 22  GLY   A O    1 ? 1 
ATOM   118  H H    . GLY   A 1 10  ? -3.199  -12.032 -41.84  1   48.069 ? 22  GLY   A H    1 c 1 
ATOM   119  H HA2  . GLY   A 1 10  ? -5.794  -12.726 -41.408 1   44.743 ? 22  GLY   A HA2  1 c 1 
ATOM   120  H HA3  . GLY   A 1 10  ? -4.868  -11.945 -40.368 1   42.891 ? 22  GLY   A HA3  1 c 1 
ATOM   121  N N    . GLU   A 1 11  ? -7.228  -10.706 -41.551 1   44.088 ? 23  GLU   A N    1 ? 1 
ATOM   122  C CA   . GLU   A 1 11  ? -8.108  -9.541  -41.622 1   41.75  ? 23  GLU   A CA   1 ? 1 
ATOM   123  C C    . GLU   A 1 11  ? -8.066  -8.726  -40.327 1   35.844 ? 23  GLU   A C    1 ? 1 
ATOM   124  O O    . GLU   A 1 11  ? -8.101  -9.301  -39.261 1   32.023 ? 23  GLU   A O    1 ? 1 
ATOM   125  C CB   . GLU   A 1 11  ? -9.501  -10.055 -41.994 1   48.617 ? 23  GLU   A CB   1 ? 1 
ATOM   126  C CG   . GLU   A 1 11  ? -10.629 -9.064  -41.73  1   55.334 ? 23  GLU   A CG   1 ? 1 
ATOM   127  C CD   . GLU   A 1 11  ? -11.967 -9.549  -42.281 1   68.3   ? 23  GLU   A CD   1 ? 1 
ATOM   128  O OE1  . GLU   A 1 11  ? -11.943 -10.491 -43.087 1   73     ? 23  GLU   A OE1  1 ? 1 
ATOM   129  O OE2  . GLU   A 1 11  ? -13.036 -8.992  -41.966 1   80.623 ? 23  GLU   A OE2  1 ? 1 
ATOM   130  H H    . GLU   A 1 11  ? -7.616  -11.525 -41.437 1   43.919 ? 23  GLU   A H    1 c 1 
ATOM   131  H HA   . GLU   A 1 11  ? -7.79   -8.965  -42.362 1   44.469 ? 23  GLU   A HA   1 c 1 
ATOM   132  H HB2  . GLU   A 1 11  ? -9.499  -10.292 -42.945 1   50.618 ? 23  GLU   A HB2  1 c 1 
ATOM   133  H HB3  . GLU   A 1 11  ? -9.684  -10.872 -41.484 1   47.097 ? 23  GLU   A HB3  1 c 1 
ATOM   134  H HG2  . GLU   A 1 11  ? -10.719 -8.922  -40.766 1   53.431 ? 23  GLU   A HG2  1 c 1 
ATOM   135  H HG3  . GLU   A 1 11  ? -10.409 -8.203  -42.145 1   56.995 ? 23  GLU   A HG3  1 c 1 
ATOM   136  N N    . ASP   A 1 12  ? -7.954  -7.384  -40.483 1   36.853 ? 24  ASP   A N    1 ? 1 
ATOM   137  C CA   . ASP   A 1 12  ? -7.96   -6.508  -39.325 1   34.166 ? 24  ASP   A CA   1 ? 1 
ATOM   138  C C    . ASP   A 1 12  ? -9.407  -6.206  -38.966 1   32.95  ? 24  ASP   A C    1 ? 1 
ATOM   139  O O    . ASP   A 1 12  ? -10.142 -5.619  -39.788 1   38.626 ? 24  ASP   A O    1 ? 1 
ATOM   140  C CB   . ASP   A 1 12  ? -7.251  -5.212  -39.635 1   37.282 ? 24  ASP   A CB   1 ? 1 
ATOM   141  C CG   . ASP   A 1 12  ? -7.16   -4.249  -38.467 1   32.83  ? 24  ASP   A CG   1 ? 1 
ATOM   142  O OD1  . ASP   A 1 12  ? -7.789  -4.543  -37.46  1   32.756 ? 24  ASP   A OD1  1 ? 1 
ATOM   143  O OD2  . ASP   A 1 12  ? -6.514  -3.163  -38.627 1   34.695 ? 24  ASP   A OD2  1 ? 1 
ATOM   144  H H    . ASP   A 1 12  ? -7.877  -7.022  -41.319 1   38.676 ? 24  ASP   A H    1 c 1 
ATOM   145  H HA   . ASP   A 1 12  ? -7.517  -6.961  -38.574 1   33.041 ? 24  ASP   A HA   1 c 1 
ATOM   146  H HB2  . ASP   A 1 12  ? -6.34   -5.417  -39.933 1   37.008 ? 24  ASP   A HB2  1 c 1 
ATOM   147  H HB3  . ASP   A 1 12  ? -7.714  -4.761  -40.372 1   37.884 ? 24  ASP   A HB3  1 c 1 
ATOM   148  N N    . ILE   A 1 13  ? -9.832  -6.803  -37.866 1   32.426 ? 25  ILE   A N    1 ? 1 
ATOM   149  C CA   . ILE   A 1 13  ? -11.236 -6.759  -37.493 1   34.813 ? 25  ILE   A CA   1 ? 1 
ATOM   150  C C    . ILE   A 1 13  ? -11.467 -5.716  -36.397 1   37.296 ? 25  ILE   A C    1 ? 1 
ATOM   151  O O    . ILE   A 1 13  ? -12.584 -5.662  -35.855 1   36.53  ? 25  ILE   A O    1 ? 1 
ATOM   152  C CB   . ILE   A 1 13  ? -11.76  -8.163  -37.101 1   32.785 ? 25  ILE   A CB   1 ? 1 
ATOM   153  C CG1  . ILE   A 1 13  ? -11.041 -8.733  -35.94  1   32.034 ? 25  ILE   A CG1  1 ? 1 
ATOM   154  C CG2  . ILE   A 1 13  ? -11.705 -9.126  -38.278 1   38.917 ? 25  ILE   A CG2  1 ? 1 
ATOM   155  C CD1  . ILE   A 1 13  ? -11.743 -9.861  -35.247 1   34.603 ? 25  ILE   A CD1  1 ? 1 
ATOM   156  H H    . ILE   A 1 13  ? -9.24   -7.242  -37.325 1   31.558 ? 25  ILE   A H    1 c 1 
ATOM   157  H HA   . ILE   A 1 13  ? -11.742 -6.473  -38.278 1   36.065 ? 25  ILE   A HA   1 c 1 
ATOM   158  H HB   . ILE   A 1 13  ? -12.698 -8.065  -36.845 1   33.799 ? 25  ILE   A HB   1 c 1 
ATOM   159  H HG12 . ILE   A 1 13  ? -10.167 -9.054  -36.243 1   32.842 ? 25  ILE   A HG12 1 c 1 
ATOM   160  H HG13 . ILE   A 1 13  ? -10.884 -8.021  -35.288 1   31.982 ? 25  ILE   A HG13 1 c 1 
ATOM   161  H HG21 . ILE   A 1 13  ? -12.15  -9.957  -38.041 1   36.949 ? 25  ILE   A HG21 1 c 1 
ATOM   162  H HG22 . ILE   A 1 13  ? -10.779 -9.31   -38.506 1   37.826 ? 25  ILE   A HG22 1 c 1 
ATOM   163  H HG23 . ILE   A 1 13  ? -12.154 -8.728  -39.043 1   39.017 ? 25  ILE   A HG23 1 c 1 
ATOM   164  H HD11 . ILE   A 1 13  ? -12.67  -9.61   -35.07  1   33.418 ? 25  ILE   A HD11 1 c 1 
ATOM   165  H HD12 . ILE   A 1 13  ? -11.295 -10.056 -34.402 1   32.322 ? 25  ILE   A HD12 1 c 1 
ATOM   166  H HD13 . ILE   A 1 13  ? -11.726 -10.655 -35.813 1   34.031 ? 25  ILE   A HD13 1 c 1 
ATOM   167  N N    . THR   A 1 14  ? -10.504 -4.817  -36.148 1   34.372 ? 26  THR   A N    1 ? 1 
ATOM   168  C CA   . THR   A 1 14  ? -10.689 -3.732  -35.2   1   34.381 ? 26  THR   A CA   1 ? 1 
ATOM   169  C C    . THR   A 1 14  ? -11.459 -2.585  -35.852 1   37.438 ? 26  THR   A C    1 ? 1 
ATOM   170  O O    . THR   A 1 14  ? -11.332 -2.335  -37.081 1   37.826 ? 26  THR   A O    1 ? 1 
ATOM   171  C CB   . THR   A 1 14  ? -9.372  -3.227  -34.6   1   32.228 ? 26  THR   A CB   1 ? 1 
ATOM   172  O OG1  . THR   A 1 14  ? -8.632  -2.664  -35.702 1   33.873 ? 26  THR   A OG1  1 ? 1 
ATOM   173  C CG2  . THR   A 1 14  ? -8.59   -4.302  -33.902 1   30.781 ? 26  THR   A CG2  1 ? 1 
ATOM   174  H H    . THR   A 1 14  ? -9.703  -4.884  -36.581 1   35.677 ? 26  THR   A H    1 c 1 
ATOM   175  H HA   . THR   A 1 14  ? -11.233 -4.078  -34.46  1   33.084 ? 26  THR   A HA   1 c 1 
ATOM   176  H HB   . THR   A 1 14  ? -9.568  -2.513  -33.948 1   32.711 ? 26  THR   A HB   1 c 1 
ATOM   177  H HG1  . THR   A 1 14  ? -8.498  -3.296  -36.289 0   30     ? 26  THR   A HG1  1 c 1 
ATOM   178  H HG21 . THR   A 1 14  ? -7.784  -3.921  -33.516 1   30.786 ? 26  THR   A HG21 1 c 1 
ATOM   179  H HG22 . THR   A 1 14  ? -8.348  -4.994  -34.54  1   30.805 ? 26  THR   A HG22 1 c 1 
ATOM   180  H HG23 . THR   A 1 14  ? -9.133  -4.691  -33.195 1   29.498 ? 26  THR   A HG23 1 c 1 
ATOM   181  N N    . SER   A 1 15  ? -12.276 -1.891  -35.043 1   42.026 ? 27  SER   A N    1 ? 1 
ATOM   182  C CA   . SER   A 1 15  ? -12.938 -0.669  -35.501 1   45.803 ? 27  SER   A CA   1 ? 1 
ATOM   183  C C    . SER   A 1 15  ? -11.927 0.417   -35.825 1   42.889 ? 27  SER   A C    1 ? 1 
ATOM   184  O O    . SER   A 1 15  ? -12.079 1.153   -36.812 1   47.829 ? 27  SER   A O    1 ? 1 
ATOM   185  C CB   . SER   A 1 15  ? -13.948 -0.218  -34.443 1   46.598 ? 27  SER   A CB   1 ? 1 
ATOM   186  O OG   . SER   A 1 15  ? -14.928 -1.256  -34.393 1   46.428 ? 27  SER   A OG   1 ? 1 
ATOM   187  H H    . SER   A 1 15  ? -12.423 -2.182  -34.189 1   39.765 ? 27  SER   A H    1 c 1 
ATOM   188  H HA   . SER   A 1 15  ? -13.435 -0.884  -36.331 1   45.589 ? 27  SER   A HA   1 c 1 
ATOM   189  H HB2  . SER   A 1 15  ? -13.51  -0.12   -33.576 1   45.734 ? 27  SER   A HB2  1 c 1 
ATOM   190  H HB3  . SER   A 1 15  ? -14.357 0.626   -34.705 1   48.369 ? 27  SER   A HB3  1 c 1 
ATOM   191  H HG   . SER   A 1 15  ? -15.451 -0.924  -33.662 0   30     ? 27  SER   A HG   1 c 1 
ATOM   192  N N    . LYS   A 1 16  ? -10.901 0.536   -34.984 1   41.243 ? 28  LYS   A N    1 ? 1 
ATOM   193  C CA   . LYS   A 1 16  ? -9.851  1.54    -35.219 1   46.485 ? 28  LYS   A CA   1 ? 1 
ATOM   194  C C    . LYS   A 1 16  ? -8.905  1.244   -36.384 1   46.765 ? 28  LYS   A C    1 ? 1 
ATOM   195  O O    . LYS   A 1 16  ? -8.177  2.133   -36.807 1   46.309 ? 28  LYS   A O    1 ? 1 
ATOM   196  C CB   . LYS   A 1 16  ? -9.065  1.731   -33.924 1   47.219 ? 28  LYS   A CB   1 ? 1 
ATOM   197  C CG   . LYS   A 1 16  ? -9.809  2.608   -32.899 1   53.873 ? 28  LYS   A CG   1 ? 1 
ATOM   198  C CD   . LYS   A 1 16  ? -9.3    2.479   -31.471 1   58.557 ? 28  LYS   A CD   1 ? 1 
ATOM   199  C CE   . LYS   A 1 16  ? -9.777  3.657   -30.655 1   65.148 ? 28  LYS   A CE   1 ? 1 
ATOM   200  N NZ   . LYS   A 1 16  ? -9.528  3.469   -29.219 1   65.482 ? 28  LYS   A NZ   1 ? 1 
ATOM   201  H H    . LYS   A 1 16  ? -10.846 -0.003  -34.249 1   40.498 ? 28  LYS   A H    1 c 1 
ATOM   202  H HA   . LYS   A 1 16  ? -10.3   2.402   -35.413 1   47.816 ? 28  LYS   A HA   1 c 1 
ATOM   203  H HB2  . LYS   A 1 16  ? -8.886  0.856   -33.521 1   46.105 ? 28  LYS   A HB2  1 c 1 
ATOM   204  H HB3  . LYS   A 1 16  ? -8.203  2.151   -34.129 1   49.146 ? 28  LYS   A HB3  1 c 1 
ATOM   205  H HG2  . LYS   A 1 16  ? -9.731  3.546   -33.18  1   55.815 ? 28  LYS   A HG2  1 c 1 
ATOM   206  H HG3  . LYS   A 1 16  ? -10.761 2.37    -32.919 1   53.189 ? 28  LYS   A HG3  1 c 1 
ATOM   207  H HD2  . LYS   A 1 16  ? -9.639  1.647   -31.074 1   56.294 ? 28  LYS   A HD2  1 c 1 
ATOM   208  H HD3  . LYS   A 1 16  ? -8.318  2.456   -31.47  1   58.176 ? 28  LYS   A HD3  1 c 1 
ATOM   209  H HE2  . LYS   A 1 16  ? -9.318  4.464   -30.952 1   66.251 ? 28  LYS   A HE2  1 c 1 
ATOM   210  H HE3  . LYS   A 1 16  ? -10.732 3.784   -30.795 1   64.651 ? 28  LYS   A HE3  1 c 1 
ATOM   211  H HZ1  . LYS   A 1 16  ? -8.635  3.459   -29.062 1   64.997 ? 28  LYS   A HZ1  1 c 1 
ATOM   212  H HZ2  . LYS   A 1 16  ? -9.887  2.683   -28.945 1   63.32  ? 28  LYS   A HZ2  1 c 1 
ATOM   213  H HZ3  . LYS   A 1 16  ? -9.904  4.147   -28.751 1   66.299 ? 28  LYS   A HZ3  1 c 1 
ATOM   214  N N    . LYS   A 1 17  ? -8.891  0.017   -36.917 1   42.946 ? 29  LYS   A N    1 ? 1 
ATOM   215  C CA   . LYS   A 1 17  ? -8.002  -0.342  -38.012 1   46.298 ? 29  LYS   A CA   1 ? 1 
ATOM   216  C C    . LYS   A 1 17  ? -6.551  -0.154  -37.555 1   46.795 ? 29  LYS   A C    1 ? 1 
ATOM   217  O O    . LYS   A 1 17  ? -5.717  0.353   -38.289 1   45.046 ? 29  LYS   A O    1 ? 1 
ATOM   218  C CB   . LYS   A 1 17  ? -8.339  0.319   -39.354 1   51.731 ? 29  LYS   A CB   1 ? 1 
ATOM   219  C CG   . LYS   A 1 17  ? -9.673  -0.192  -39.87  1   53.174 ? 29  LYS   A CG   1 ? 1 
ATOM   220  C CD   . LYS   A 1 17  ? -9.674  -1.623  -40.386 1   56.185 ? 29  LYS   A CD   1 ? 1 
ATOM   221  C CE   . LYS   A 1 17  ? -10.962 -2.107  -41.055 1   65.67  ? 29  LYS   A CE   1 ? 1 
ATOM   222  N NZ   . LYS   A 1 17  ? -11.707 -2.799  -39.976 1   61.322 ? 29  LYS   A NZ   1 ? 1 
ATOM   223  H H    . LYS   A 1 17  ? -9.449  -0.624  -36.581 1   42.4   ? 29  LYS   A H    1 c 1 
ATOM   224  H HA   . LYS   A 1 17  ? -8.122  -1.311  -38.163 1   45.203 ? 29  LYS   A HA   1 c 1 
ATOM   225  H HB2  . LYS   A 1 17  ? -8.386  1.293   -39.245 1   52.967 ? 29  LYS   A HB2  1 c 1 
ATOM   226  H HB3  . LYS   A 1 17  ? -7.64   0.114   -40.011 1   52.71  ? 29  LYS   A HB3  1 c 1 
ATOM   227  H HG2  . LYS   A 1 17  ? -10.332 -0.118  -39.145 1   52.307 ? 29  LYS   A HG2  1 c 1 
ATOM   228  H HG3  . LYS   A 1 17  ? -9.969  0.402   -40.594 1   55.969 ? 29  LYS   A HG3  1 c 1 
ATOM   229  H HD2  . LYS   A 1 17  ? -8.938  -1.713  -41.029 1   58.341 ? 29  LYS   A HD2  1 c 1 
ATOM   230  H HD3  . LYS   A 1 17  ? -9.468  -2.221  -39.635 1   54.796 ? 29  LYS   A HD3  1 c 1 
ATOM   231  H HE2  . LYS   A 1 17  ? -11.484 -1.358  -41.395 1   64.856 ? 29  LYS   A HE2  1 c 1 
ATOM   232  H HE3  . LYS   A 1 17  ? -10.768 -2.729  -41.78  1   63.975 ? 29  LYS   A HE3  1 c 1 
ATOM   233  H HZ1  . LYS   A 1 17  ? -11.775 -2.262  -39.249 1   60.905 ? 29  LYS   A HZ1  1 c 1 
ATOM   234  H HZ2  . LYS   A 1 17  ? -11.28  -3.564  -39.746 1   60.303 ? 29  LYS   A HZ2  1 c 1 
ATOM   235  H HZ3  . LYS   A 1 17  ? -12.54  -3.004  -40.268 1   62.065 ? 29  LYS   A HZ3  1 c 1 
ATOM   236  N N    . ASP   A 1 18  ? -6.273  -0.648  -36.359 1   42.185 ? 30  ASP   A N    1 ? 1 
ATOM   237  C CA   . ASP   A 1 18  ? -4.953  -0.59   -35.748 1   43.867 ? 30  ASP   A CA   1 ? 1 
ATOM   238  C C    . ASP   A 1 18  ? -4.248  -1.946  -35.704 1   39.972 ? 30  ASP   A C    1 ? 1 
ATOM   239  O O    . ASP   A 1 18  ? -3.232  -2.085  -34.996 1   38.69  ? 30  ASP   A O    1 ? 1 
ATOM   240  C CB   . ASP   A 1 18  ? -5.014  0.004   -34.346 1   38.338 ? 30  ASP   A CB   1 ? 1 
ATOM   241  C CG   . ASP   A 1 18  ? -5.884  -0.763  -33.368 1   33.816 ? 30  ASP   A CG   1 ? 1 
ATOM   242  O OD1  . ASP   A 1 18  ? -6.142  -1.948  -33.678 1   30.441 ? 30  ASP   A OD1  1 ? 1 
ATOM   243  O OD2  . ASP   A 1 18  ? -6.28   -0.188  -32.354 1   39.406 ? 30  ASP   A OD2  1 ? 1 
ATOM   244  H H    . ASP   A 1 18  ? -6.942  -1.062  -35.894 1   41.496 ? 30  ASP   A H    1 c 1 
ATOM   245  H HA   . ASP   A 1 18  ? -4.397  0.021   -36.281 1   44.307 ? 30  ASP   A HA   1 c 1 
ATOM   246  H HB2  . ASP   A 1 18  ? -4.108  0.059   -33.977 1   39.022 ? 30  ASP   A HB2  1 c 1 
ATOM   247  H HB3  . ASP   A 1 18  ? -5.366  0.917   -34.411 1   40.241 ? 30  ASP   A HB3  1 c 1 
ATOM   248  N N    . ARG   A 1 19  ? -4.759  -2.938  -36.456 1   38.558 ? 31  ARG   A N    1 ? 1 
ATOM   249  C CA   . ARG   A 1 19  ? -4.166  -4.271  -36.544 1   38.055 ? 31  ARG   A CA   1 ? 1 
ATOM   250  C C    . ARG   A 1 19  ? -4.043  -4.922  -35.163 1   35.429 ? 31  ARG   A C    1 ? 1 
ATOM   251  O O    . ARG   A 1 19  ? -3.365  -5.947  -35.03  1   36.132 ? 31  ARG   A O    1 ? 1 
ATOM   252  C CB   . ARG   A 1 19  ? -2.833  -4.335  -37.331 1   39.76  ? 31  ARG   A CB   1 ? 1 
ATOM   253  C CG   . ARG   A 1 19  ? -3.047  -3.945  -38.773 1   43.196 ? 31  ARG   A CG   1 ? 1 
ATOM   254  C CD   . ARG   A 1 19  ? -1.742  -3.996  -39.631 1   46.731 ? 31  ARG   A CD   1 ? 1 
ATOM   255  N NE   . ARG   A 1 19  ? -1.011  -5.252  -39.4   1   44.429 ? 31  ARG   A NE   1 ? 1 
ATOM   256  C CZ   . ARG   A 1 19  ? -1.176  -6.377  -40.038 1   48.296 ? 31  ARG   A CZ   1 ? 1 
ATOM   257  N NH1  . ARG   A 1 19  ? -2.081  -6.514  -40.995 1   49.427 ? 31  ARG   A NH1  1 ? 1 
ATOM   258  N NH2  . ARG   A 1 19  ? -0.389  -7.411  -39.767 1   51.47  ? 31  ARG   A NH2  1 ? 1 
ATOM   259  H H    . ARG   A 1 19  ? -5.515  -2.772  -36.94  1   39.401 ? 31  ARG   A H    1 c 1 
ATOM   260  H HA   . ARG   A 1 19  ? -4.798  -4.829  -37.062 1   37.727 ? 31  ARG   A HA   1 c 1 
ATOM   261  H HB2  . ARG   A 1 19  ? -2.18   -3.728  -36.924 1   40.553 ? 31  ARG   A HB2  1 c 1 
ATOM   262  H HB3  . ARG   A 1 19  ? -2.473  -5.247  -37.292 1   39.41  ? 31  ARG   A HB3  1 c 1 
ATOM   263  H HG2  . ARG   A 1 19  ? -3.712  -4.547  -39.172 1   42.861 ? 31  ARG   A HG2  1 c 1 
ATOM   264  H HG3  . ARG   A 1 19  ? -3.413  -3.034  -38.807 1   43.987 ? 31  ARG   A HG3  1 c 1 
ATOM   265  H HD2  . ARG   A 1 19  ? -1.97   -3.92   -40.581 1   48.111 ? 31  ARG   A HD2  1 c 1 
ATOM   266  H HD3  . ARG   A 1 19  ? -1.167  -3.239  -39.396 1   47.14  ? 31  ARG   A HD3  1 c 1 
ATOM   267  H HE   . ARG   A 1 19  ? -0.399  -5.243  -38.778 1   45.04  ? 31  ARG   A HE   1 c 1 
ATOM   268  H HH11 . ARG   A 1 19  ? -2.931  -6.339  -40.824 1   48.402 ? 31  ARG   A HH11 1 c 1 
ATOM   269  H HH12 . ARG   A 1 19  ? -1.832  -6.78   -41.802 1   51.314 ? 31  ARG   A HH12 1 c 1 
ATOM   270  H HH21 . ARG   A 1 19  ? 0.357   -7.293  -39.306 1   50.153 ? 31  ARG   A HH21 1 c 1 
ATOM   271  H HH22 . ARG   A 1 19  ? -0.612  -8.218  -40.053 1   50.23  ? 31  ARG   A HH22 1 c 1 
ATOM   272  N N    . GLY   A 1 20  ? -4.851  -4.494  -34.196 1   31.413 ? 32  GLY   A N    1 ? 1 
ATOM   273  C CA   . GLY   A 1 20  ? -4.764  -5.084  -32.855 1   32.328 ? 32  GLY   A CA   1 ? 1 
ATOM   274  C C    . GLY   A 1 20  ? -5.368  -6.47   -32.71  1   29.552 ? 32  GLY   A C    1 ? 1 
ATOM   275  O O    . GLY   A 1 20  ? -5.098  -7.175  -31.754 1   29.98  ? 32  GLY   A O    1 ? 1 
ATOM   276  H H    . GLY   A 1 20  ? -5.478  -3.851  -34.362 1   33.211 ? 32  GLY   A H    1 c 1 
ATOM   277  H HA2  . GLY   A 1 20  ? -3.815  -5.125  -32.594 1   31.614 ? 32  GLY   A HA2  1 c 1 
ATOM   278  H HA3  . GLY   A 1 20  ? -5.213  -4.477  -32.223 1   31.073 ? 32  GLY   A HA3  1 c 1 
ATOM   279  N N    . VAL   A 1 21  ? -6.251  -6.848  -33.614 1   29.286 ? 33  VAL   A N    1 ? 1 
ATOM   280  C CA   . VAL   A 1 21  ? -6.951  -8.103  -33.638 1   29.914 ? 33  VAL   A CA   1 ? 1 
ATOM   281  C C    . VAL   A 1 21  ? -7.008  -8.49   -35.122 1   32.104 ? 33  VAL   A C    1 ? 1 
ATOM   282  O O    . VAL   A 1 21  ? -7.734  -7.885  -35.889 1   29.788 ? 33  VAL   A O    1 ? 1 
ATOM   283  C CB   . VAL   A 1 21  ? -8.346  -8.178  -33.018 1   28.406 ? 33  VAL   A CB   1 ? 1 
ATOM   284  C CG1  . VAL   A 1 21  ? -8.852  -9.589  -32.971 1   29.976 ? 33  VAL   A CG1  1 ? 1 
ATOM   285  C CG2  . VAL   A 1 21  ? -8.43   -7.471  -31.689 1   29.729 ? 33  VAL   A CG2  1 ? 1 
ATOM   286  H H    . VAL   A 1 21  ? -6.44   -6.255  -34.283 1   30.862 ? 33  VAL   A H    1 c 1 
ATOM   287  H HA   . VAL   A 1 21  ? -6.393  -8.759  -33.179 1   29.043 ? 33  VAL   A HA   1 c 1 
ATOM   288  H HB   . VAL   A 1 21  ? -8.948  -7.688  -33.626 1   30.045 ? 33  VAL   A HB   1 c 1 
ATOM   289  H HG11 . VAL   A 1 21  ? -8.19   -10.158 -32.543 1   28.868 ? 33  VAL   A HG11 1 c 1 
ATOM   290  H HG12 . VAL   A 1 21  ? -9.016  -9.907  -33.874 1   30.146 ? 33  VAL   A HG12 1 c 1 
ATOM   291  H HG13 . VAL   A 1 21  ? -9.68   -9.62   -32.463 1   28.78  ? 33  VAL   A HG13 1 c 1 
ATOM   292  H HG21 . VAL   A 1 21  ? -9.317  -7.593  -31.311 1   28.64  ? 33  VAL   A HG21 1 c 1 
ATOM   293  H HG22 . VAL   A 1 21  ? -8.26   -6.522  -31.815 1   29.752 ? 33  VAL   A HG22 1 c 1 
ATOM   294  H HG23 . VAL   A 1 21  ? -7.766  -7.841  -31.082 1   28.526 ? 33  VAL   A HG23 1 c 1 
ATOM   295  N N    . LEU   A 1 22  ? -6.242  -9.523  -35.474 1   29.584 ? 34  LEU   A N    1 ? 1 
ATOM   296  C CA   . LEU   A 1 22  ? -6.199  -10.078 -36.812 1   32.708 ? 34  LEU   A CA   1 ? 1 
ATOM   297  C C    . LEU   A 1 22  ? -6.792  -11.473 -36.805 1   34.736 ? 34  LEU   A C    1 ? 1 
ATOM   298  O O    . LEU   A 1 22  ? -6.478  -12.24  -35.88  1   32.491 ? 34  LEU   A O    1 ? 1 
ATOM   299  C CB   . LEU   A 1 22  ? -4.743  -10.098 -37.27  1   40     ? 34  LEU   A CB   1 ? 1 
ATOM   300  C CG   . LEU   A 1 22  ? -3.965  -8.767  -37.287 1   41.682 ? 34  LEU   A CG   1 ? 1 
ATOM   301  C CD1  . LEU   A 1 22  ? -2.493  -9.018  -37.522 1   42.095 ? 34  LEU   A CD1  1 ? 1 
ATOM   302  C CD2  . LEU   A 1 22  ? -4.531  -7.804  -38.387 1   40.531 ? 34  LEU   A CD2  1 ? 1 
ATOM   303  H H    . LEU   A 1 22  ? -5.711  -9.905  -34.836 1   29.848 ? 34  LEU   A H    1 c 1 
ATOM   304  H HA   . LEU   A 1 22  ? -6.725  -9.5    -37.415 1   34.618 ? 34  LEU   A HA   1 c 1 
ATOM   305  H HB2  . LEU   A 1 22  ? -4.255  -10.727 -36.691 1   37.927 ? 34  LEU   A HB2  1 c 1 
ATOM   306  H HB3  . LEU   A 1 22  ? -4.717  -10.477 -38.178 1   40.191 ? 34  LEU   A HB3  1 c 1 
ATOM   307  H HG   . LEU   A 1 22  ? -4.07   -8.33   -36.403 1   39.415 ? 34  LEU   A HG   1 c 1 
ATOM   308  H HD11 . LEU   A 1 22  ? -2.113  -9.473  -36.752 1   41.27  ? 34  LEU   A HD11 1 c 1 
ATOM   309  H HD12 . LEU   A 1 22  ? -2.036  -8.17   -37.654 1   43.319 ? 34  LEU   A HD12 1 c 1 
ATOM   310  H HD13 . LEU   A 1 22  ? -2.379  -9.572  -38.313 1   43.716 ? 34  LEU   A HD13 1 c 1 
ATOM   311  H HD21 . LEU   A 1 22  ? -5.439  -7.549  -38.157 1   40.498 ? 34  LEU   A HD21 1 c 1 
ATOM   312  H HD22 . LEU   A 1 22  ? -4.53   -8.257  -39.247 1   42.764 ? 34  LEU   A HD22 1 c 1 
ATOM   313  H HD23 . LEU   A 1 22  ? -3.975  -7.009  -38.44  1   42.276 ? 34  LEU   A HD23 1 c 1 
ATOM   314  N N    . LYS   A 1 23  ? -7.559  -11.796 -37.847 1   33.27  ? 35  LYS   A N    1 ? 1 
ATOM   315  C CA   . LYS   A 1 23  ? -8.353  -12.994 -37.927 1   34.849 ? 35  LYS   A CA   1 ? 1 
ATOM   316  C C    . LYS   A 1 23  ? -8.194  -13.72  -39.24  1   36.665 ? 35  LYS   A C    1 ? 1 
ATOM   317  O O    . LYS   A 1 23  ? -8.289  -13.139 -40.335 1   37.46  ? 35  LYS   A O    1 ? 1 
ATOM   318  C CB   . LYS   A 1 23  ? -9.842  -12.671 -37.82  1   35.97  ? 35  LYS   A CB   1 ? 1 
ATOM   319  C CG   . LYS   A 1 23  ? -10.763 -13.896 -37.771 1   39.138 ? 35  LYS   A CG   1 ? 1 
ATOM   320  C CD   . LYS   A 1 23  ? -12.235 -13.6   -37.948 1   37.901 ? 35  LYS   A CD   1 ? 1 
ATOM   321  C CE   . LYS   A 1 23  ? -13.104 -14.801 -37.768 1   38.689 ? 35  LYS   A CE   1 ? 1 
ATOM   322  N NZ   . LYS   A 1 23  ? -14.475 -14.49  -38.161 1   36.228 ? 35  LYS   A NZ   1 ? 1 
ATOM   323  H H    . LYS   A 1 23  ? -7.581  -11.223 -38.558 1   35.475 ? 35  LYS   A H    1 c 1 
ATOM   324  H HA   . LYS   A 1 23  ? -8.096  -13.595 -37.188 1   33.729 ? 35  LYS   A HA   1 c 1 
ATOM   325  H HB2  . LYS   A 1 23  ? -9.99   -12.14  -37.009 1   34.835 ? 35  LYS   A HB2  1 c 1 
ATOM   326  H HB3  . LYS   A 1 23  ? -10.101 -12.118 -38.588 1   37.377 ? 35  LYS   A HB3  1 c 1 
ATOM   327  H HG2  . LYS   A 1 23  ? -10.485 -14.524 -38.472 1   39.474 ? 35  LYS   A HG2  1 c 1 
ATOM   328  H HG3  . LYS   A 1 23  ? -10.633 -14.345 -36.907 1   36.88  ? 35  LYS   A HG3  1 c 1 
ATOM   329  H HD2  . LYS   A 1 23  ? -12.502 -12.914 -37.299 1   37.182 ? 35  LYS   A HD2  1 c 1 
ATOM   330  H HD3  . LYS   A 1 23  ? -12.379 -13.235 -38.848 1   39.821 ? 35  LYS   A HD3  1 c 1 
ATOM   331  H HE2  . LYS   A 1 23  ? -12.772 -15.535 -38.314 1   38.97  ? 35  LYS   A HE2  1 c 1 
ATOM   332  H HE3  . LYS   A 1 23  ? -13.093 -15.08  -36.835 1   36.482 ? 35  LYS   A HE3  1 c 1 
ATOM   333  H HZ1  . LYS   A 1 23  ? -14.498 -14.254 -39.036 1   38.613 ? 35  LYS   A HZ1  1 c 1 
ATOM   334  H HZ2  . LYS   A 1 23  ? -14.789 -13.805 -37.659 1   36.289 ? 35  LYS   A HZ2  1 c 1 
ATOM   335  H HZ3  . LYS   A 1 23  ? -15.001 -15.216 -38.035 1   37.617 ? 35  LYS   A HZ3  1 c 1 
ATOM   336  N N    . ILE   A 1 24  ? -7.979  -15.046 -39.16  1   39.033 ? 36  ILE   A N    1 ? 1 
ATOM   337  C CA   . ILE   A 1 24  ? -8.175  -15.919 -40.319 1   40.319 ? 36  ILE   A CA   1 ? 1 
ATOM   338  C C    . ILE   A 1 24  ? -9.23   -16.967 -40     1   41.617 ? 36  ILE   A C    1 ? 1 
ATOM   339  O O    . ILE   A 1 24  ? -9.133  -17.712 -39.005 1   42.837 ? 36  ILE   A O    1 ? 1 
ATOM   340  C CB   . ILE   A 1 24  ? -6.898  -16.605 -40.815 1   46.232 ? 36  ILE   A CB   1 ? 1 
ATOM   341  C CG1  . ILE   A 1 24  ? -5.821  -15.598 -41.14  1   46.947 ? 36  ILE   A CG1  1 ? 1 
ATOM   342  C CG2  . ILE   A 1 24  ? -7.18   -17.601 -41.959 1   50.552 ? 36  ILE   A CG2  1 ? 1 
ATOM   343  C CD1  . ILE   A 1 24  ? -4.54   -16.245 -41.591 1   51.975 ? 36  ILE   A CD1  1 ? 1 
ATOM   344  H H    . ILE   A 1 24  ? -7.703  -15.415 -38.37  1   37.085 ? 36  ILE   A H    1 c 1 
ATOM   345  H HA   . ILE   A 1 24  ? -8.512  -15.368 -41.051 1   42.671 ? 36  ILE   A HA   1 c 1 
ATOM   346  H HB   . ILE   A 1 24  ? -6.561  -17.134 -40.065 1   44.65  ? 36  ILE   A HB   1 c 1 
ATOM   347  H HG12 . ILE   A 1 24  ? -6.145  -15.003 -41.847 1   48.598 ? 36  ILE   A HG12 1 c 1 
ATOM   348  H HG13 . ILE   A 1 24  ? -5.641  -15.055 -40.345 1   45.608 ? 36  ILE   A HG13 1 c 1 
ATOM   349  H HG21 . ILE   A 1 24  ? -6.358  -18.057 -42.207 1   51.575 ? 36  ILE   A HG21 1 c 1 
ATOM   350  H HG22 . ILE   A 1 24  ? -7.527  -17.122 -42.73  1   51.466 ? 36  ILE   A HG22 1 c 1 
ATOM   351  H HG23 . ILE   A 1 24  ? -7.832  -18.259 -41.669 1   49.831 ? 36  ILE   A HG23 1 c 1 
ATOM   352  H HD11 . ILE   A 1 24  ? -4.336  -17.003 -41.011 1   50.504 ? 36  ILE   A HD11 1 c 1 
ATOM   353  H HD12 . ILE   A 1 24  ? -3.813  -15.598 -41.544 1   51.123 ? 36  ILE   A HD12 1 c 1 
ATOM   354  H HD13 . ILE   A 1 24  ? -4.634  -16.558 -42.51  1   53.463 ? 36  ILE   A HD13 1 c 1 
ATOM   355  N N    . VAL   A 1 25  ? -10.196 -17.081 -40.928 1   41.047 ? 37  VAL   A N    1 ? 1 
ATOM   356  C CA   . VAL   A 1 25  ? -11.162 -18.152 -40.832 1   43.47  ? 37  VAL   A CA   1 ? 1 
ATOM   357  C C    . VAL   A 1 25  ? -10.485 -19.446 -41.31  1   43.516 ? 37  VAL   A C    1 ? 1 
ATOM   358  O O    . VAL   A 1 25  ? -10.157 -19.599 -42.506 1   48.057 ? 37  VAL   A O    1 ? 1 
ATOM   359  C CB   . VAL   A 1 25  ? -12.432 -17.853 -41.666 1   44.254 ? 37  VAL   A CB   1 ? 1 
ATOM   360  C CG1  . VAL   A 1 25  ? -13.439 -18.979 -41.565 1   44.978 ? 37  VAL   A CG1  1 ? 1 
ATOM   361  C CG2  . VAL   A 1 25  ? -13.128 -16.556 -41.246 1   42.396 ? 37  VAL   A CG2  1 ? 1 
ATOM   362  H H    . VAL   A 1 25  ? -10.248 -16.489 -41.622 1   43.015 ? 37  VAL   A H    1 c 1 
ATOM   363  H HA   . VAL   A 1 25  ? -11.422 -18.257 -39.896 1   40.788 ? 37  VAL   A HA   1 c 1 
ATOM   364  H HB   . VAL   A 1 25  ? -12.155 -17.767 -42.608 1   46.318 ? 37  VAL   A HB   1 c 1 
ATOM   365  H HG11 . VAL   A 1 25  ? -13.527 -19.254 -40.637 1   43.496 ? 37  VAL   A HG11 1 c 1 
ATOM   366  H HG12 . VAL   A 1 25  ? -13.139 -19.734 -42.099 1   47.033 ? 37  VAL   A HG12 1 c 1 
ATOM   367  H HG13 . VAL   A 1 25  ? -14.302 -18.675 -41.895 1   45.694 ? 37  VAL   A HG13 1 c 1 
ATOM   368  H HG21 . VAL   A 1 25  ? -13.862 -16.369 -41.855 1   43.727 ? 37  VAL   A HG21 1 c 1 
ATOM   369  H HG22 . VAL   A 1 25  ? -12.493 -15.821 -41.273 1   41.928 ? 37  VAL   A HG22 1 c 1 
ATOM   370  H HG23 . VAL   A 1 25  ? -13.473 -16.651 -40.343 1   40.74  ? 37  VAL   A HG23 1 c 1 
ATOM   371  N N    . LYS   A 1 26  ? -10.428 -20.463 -40.456 1   41.636 ? 38  LYS   A N    1 ? 1 
ATOM   372  C CA   . LYS   A 1 26  ? -9.741  -21.712 -40.811 1   45.027 ? 38  LYS   A CA   1 ? 1 
ATOM   373  C C    . LYS   A 1 26  ? -10.738 -22.767 -41.253 1   47.757 ? 38  LYS   A C    1 ? 1 
ATOM   374  O O    . LYS   A 1 26  ? -10.379 -23.634 -42.022 1   53.382 ? 38  LYS   A O    1 ? 1 
ATOM   375  C CB   . LYS   A 1 26  ? -8.903  -22.256 -39.66  1   46.639 ? 38  LYS   A CB   1 ? 1 
ATOM   376  C CG   . LYS   A 1 26  ? -7.812  -21.267 -39.202 1   45.971 ? 38  LYS   A CG   1 ? 1 
ATOM   377  C CD   . LYS   A 1 26  ? -6.84   -20.857 -40.321 1   48.342 ? 38  LYS   A CD   1 ? 1 
ATOM   378  C CE   . LYS   A 1 26  ? -5.962  -21.898 -40.808 1   49.01  ? 38  LYS   A CE   1 ? 1 
ATOM   379  N NZ   . LYS   A 1 26  ? -5.073  -21.581 -41.929 1   52.077 ? 38  LYS   A NZ   1 ? 1 
ATOM   380  H H    . LYS   A 1 26  ? -10.814 -20.387 -39.631 1   40.475 ? 38  LYS   A H    1 c 1 
ATOM   381  H HA   . LYS   A 1 26  ? -9.137  -21.53  -41.572 1   46.934 ? 38  LYS   A HA   1 c 1 
ATOM   382  H HB2  . LYS   A 1 26  ? -9.489  -22.454 -38.899 1   44.997 ? 38  LYS   A HB2  1 c 1 
ATOM   383  H HB3  . LYS   A 1 26  ? -8.475  -23.094 -39.939 1   48.16  ? 38  LYS   A HB3  1 c 1 
ATOM   384  H HG2  . LYS   A 1 26  ? -8.248  -20.462 -38.847 1   43.861 ? 38  LYS   A HG2  1 c 1 
ATOM   385  H HG3  . LYS   A 1 26  ? -7.302  -21.68  -38.472 1   45.118 ? 38  LYS   A HG3  1 c 1 
ATOM   386  H HD2  . LYS   A 1 26  ? -7.357  -20.503 -41.076 1   48.608 ? 38  LYS   A HD2  1 c 1 
ATOM   387  H HD3  . LYS   A 1 26  ? -6.287  -20.117 -39.986 1   46.312 ? 38  LYS   A HD3  1 c 1 
ATOM   388  H HE2  . LYS   A 1 26  ? -5.409  -22.197 -40.064 1   48.796 ? 38  LYS   A HE2  1 c 1 
ATOM   389  H HE3  . LYS   A 1 26  ? -6.512  -22.657 -41.074 1   51.104 ? 38  LYS   A HE3  1 c 1 
ATOM   390  H HZ1  . LYS   A 1 26  ? -4.471  -20.954 -41.674 1   50.837 ? 38  LYS   A HZ1  1 c 1 
ATOM   391  H HZ2  . LYS   A 1 26  ? -5.559  -21.262 -42.624 1   52.832 ? 38  LYS   A HZ2  1 c 1 
ATOM   392  H HZ3  . LYS   A 1 26  ? -4.632  -22.327 -42.192 1   53.907 ? 38  LYS   A HZ3  1 c 1 
ATOM   393  N N    . ARG   A 1 27  ? -11.969 -22.74  -40.706 1   46.447 ? 39  ARG   A N    1 ? 1 
ATOM   394  C CA   . ARG   A 1 27  ? -13.061 -23.57  -41.191 1   51.88  ? 39  ARG   A CA   1 ? 1 
ATOM   395  C C    . ARG   A 1 27  ? -14.351 -22.747 -41.178 1   51.001 ? 39  ARG   A C    1 ? 1 
ATOM   396  O O    . ARG   A 1 27  ? -14.692 -22.133 -40.157 1   51.222 ? 39  ARG   A O    1 ? 1 
ATOM   397  C CB   . ARG   A 1 27  ? -13.226 -24.81  -40.306 1   52.175 ? 39  ARG   A CB   1 ? 1 
ATOM   398  C CG   . ARG   A 1 27  ? -14.206 -25.793 -40.928 1   60.503 ? 39  ARG   A CG   1 ? 1 
ATOM   399  C CD   . ARG   A 1 27  ? -15.2   -26.213 -39.857 1   66.836 ? 39  ARG   A CD   1 ? 1 
ATOM   400  N NE   . ARG   A 1 27  ? -14.568 -27.167 -38.945 1   74.391 ? 39  ARG   A NE   1 ? 1 
ATOM   401  C CZ   . ARG   A 1 27  ? -14.995 -27.593 -37.766 1   68.775 ? 39  ARG   A CZ   1 ? 1 
ATOM   402  N NH1  . ARG   A 1 27  ? -15.721 -26.854 -36.986 1   57.089 ? 39  ARG   A NH1  1 ? 1 
ATOM   403  N NH2  . ARG   A 1 27  ? -14.547 -28.747 -37.317 1   70.548 ? 39  ARG   A NH2  1 ? 1 
ATOM   404  H H    . ARG   A 1 27  ? -12.125 -22.19  -39.992 1   44.838 ? 39  ARG   A H    1 c 1 
ATOM   405  H HA   . ARG   A 1 27  ? -12.862 -23.849 -42.121 1   53.71  ? 39  ARG   A HA   1 c 1 
ATOM   406  H HB2  . ARG   A 1 27  ? -12.355 -25.248 -40.194 1   53.719 ? 39  ARG   A HB2  1 c 1 
ATOM   407  H HB3  . ARG   A 1 27  ? -13.548 -24.538 -39.42  1   51.265 ? 39  ARG   A HB3  1 c 1 
ATOM   408  H HG2  . ARG   A 1 27  ? -14.685 -25.37  -41.674 1   61.546 ? 39  ARG   A HG2  1 c 1 
ATOM   409  H HG3  . ARG   A 1 27  ? -13.724 -26.582 -41.26  1   62.957 ? 39  ARG   A HG3  1 c 1 
ATOM   410  H HD2  . ARG   A 1 27  ? -15.508 -25.433 -39.354 1   63.964 ? 39  ARG   A HD2  1 c 1 
ATOM   411  H HD3  . ARG   A 1 27  ? -15.978 -26.633 -40.278 1   68.603 ? 39  ARG   A HD3  1 c 1 
ATOM   412  H HE   . ARG   A 1 27  ? -13.808 -27.504 -39.204 1   72.085 ? 39  ARG   A HE   1 c 1 
ATOM   413  H HH11 . ARG   A 1 27  ? -15.673 -25.974 -37.043 1   57.86  ? 39  ARG   A HH11 1 c 1 
ATOM   414  H HH12 . ARG   A 1 27  ? -16.263 -27.235 -36.4   1   60.029 ? 39  ARG   A HH12 1 c 1 
ATOM   415  H HH21 . ARG   A 1 27  ? -14.407 -29.413 -37.881 1   73.066 ? 39  ARG   A HH21 1 c 1 
ATOM   416  H HH22 . ARG   A 1 27  ? -14.388 -28.852 -36.453 1   69.423 ? 39  ARG   A HH22 1 c 1 
ATOM   417  N N    . VAL   A 1 28  ? -15.06  -22.702 -42.31  1   51.603 ? 40  VAL   A N    1 ? 1 
ATOM   418  C CA   . VAL   A 1 28  ? -16.248 -21.873 -42.436 1   51.816 ? 40  VAL   A CA   1 ? 1 
ATOM   419  C C    . VAL   A 1 28  ? -17.349 -22.517 -41.59  1   51.992 ? 40  VAL   A C    1 ? 1 
ATOM   420  O O    . VAL   A 1 28  ? -17.476 -23.742 -41.519 1   57.02  ? 40  VAL   A O    1 ? 1 
ATOM   421  C CB   . VAL   A 1 28  ? -16.731 -21.616 -43.886 1   59.124 ? 40  VAL   A CB   1 ? 1 
ATOM   422  C CG1  . VAL   A 1 28  ? -17.981 -20.749 -43.871 1   61.298 ? 40  VAL   A CG1  1 ? 1 
ATOM   423  C CG2  . VAL   A 1 28  ? -15.67  -20.966 -44.779 1   57.897 ? 40  VAL   A CG2  1 ? 1 
ATOM   424  H H    . VAL   A 1 28  ? -14.797 -23.205 -43.026 1   54.587 ? 40  VAL   A H    1 c 1 
ATOM   425  H HA   . VAL   A 1 28  ? -16.039 -21.004 -42.04  1   50.256 ? 40  VAL   A HA   1 c 1 
ATOM   426  H HB   . VAL   A 1 28  ? -16.968 -22.49  -44.276 1   60.796 ? 40  VAL   A HB   1 c 1 
ATOM   427  H HG11 . VAL   A 1 28  ? -17.915 -20.093 -43.158 1   57.682 ? 40  VAL   A HG11 1 c 1 
ATOM   428  H HG12 . VAL   A 1 28  ? -18.762 -21.308 -43.726 1   61.337 ? 40  VAL   A HG12 1 c 1 
ATOM   429  H HG13 . VAL   A 1 28  ? -18.069 -20.291 -44.724 1   61.894 ? 40  VAL   A HG13 1 c 1 
ATOM   430  H HG21 . VAL   A 1 28  ? -16.007 -20.899 -45.688 1   60.912 ? 40  VAL   A HG21 1 c 1 
ATOM   431  H HG22 . VAL   A 1 28  ? -14.864 -21.508 -44.772 1   58.926 ? 40  VAL   A HG22 1 c 1 
ATOM   432  H HG23 . VAL   A 1 28  ? -15.464 -20.077 -44.444 1   56.387 ? 40  VAL   A HG23 1 c 1 
ATOM   433  N N    . GLY   A 1 29  ? -18.165 -21.693 -40.947 1   47.65  ? 41  GLY   A N    1 ? 1 
ATOM   434  C CA   . GLY   A 1 29  ? -19.292 -22.178 -40.17  1   52.371 ? 41  GLY   A CA   1 ? 1 
ATOM   435  C C    . GLY   A 1 29  ? -20.598 -22.165 -40.966 1   58.073 ? 41  GLY   A C    1 ? 1 
ATOM   436  O O    . GLY   A 1 29  ? -20.564 -22.034 -42.176 1   61.106 ? 41  GLY   A O    1 ? 1 
ATOM   437  H H    . GLY   A 1 29  ? -18.015 -20.792 -40.987 1   47.945 ? 41  GLY   A H    1 c 1 
ATOM   438  H HA2  . GLY   A 1 29  ? -19.105 -23.096 -39.864 1   52.557 ? 41  GLY   A HA2  1 c 1 
ATOM   439  H HA3  . GLY   A 1 29  ? -19.393 -21.611 -39.37  1   49.629 ? 41  GLY   A HA3  1 c 1 
ATOM   440  N N    . ASN   A 1 30  ? -21.722 -22.356 -40.253 1   57.765 ? 42  ASN   A N    1 ? 1 
ATOM   441  C CA   . ASN   A 1 30  ? -23.016 -22.679 -40.814 1   62.692 ? 42  ASN   A CA   1 ? 1 
ATOM   442  C C    . ASN   A 1 30  ? -23.974 -21.547 -40.489 1   61.667 ? 42  ASN   A C    1 ? 1 
ATOM   443  O O    . ASN   A 1 30  ? -23.916 -21.028 -39.373 1   57.635 ? 42  ASN   A O    1 ? 1 
ATOM   444  C CB   . ASN   A 1 30  ? -23.607 -23.935 -40.185 1   67.357 ? 42  ASN   A CB   1 ? 1 
ATOM   445  C CG   . ASN   A 1 30  ? -22.619 -25.068 -40.155 1   73.541 ? 42  ASN   A CG   1 ? 1 
ATOM   446  O OD1  . ASN   A 1 30  ? -21.928 -25.275 -39.15  1   78.578 ? 42  ASN   A OD1  1 ? 1 
ATOM   447  N ND2  . ASN   A 1 30  ? -22.447 -25.718 -41.289 1   79.452 ? 42  ASN   A ND2  1 ? 1 
ATOM   448  H H    . ASN   A 1 30  ? -21.664 -22.276 -39.344 1   56.473 ? 42  ASN   A H    1 c 1 
ATOM   449  H HA   . ASN   A 1 30  ? -22.942 -22.809 -41.787 1   64.819 ? 42  ASN   A HA   1 c 1 
ATOM   450  H HB2  . ASN   A 1 30  ? -23.892 -23.735 -39.271 1   66.215 ? 42  ASN   A HB2  1 c 1 
ATOM   451  H HB3  . ASN   A 1 30  ? -24.395 -24.21  -40.694 1   70.255 ? 42  ASN   A HB3  1 c 1 
ATOM   452  H HD21 . ASN   A 1 30  ? -21.96  -26.459 -41.304 1   79.652 ? 42  ASN   A HD21 1 c 1 
ATOM   453  H HD22 . ASN   A 1 30  ? -22.816 -25.414 -42.037 1   79.788 ? 42  ASN   A HD22 1 c 1 
ATOM   454  N N    . GLY   A 1 31  ? -24.837 -21.222 -41.455 1   62.796 ? 43  GLY   A N    1 ? 1 
ATOM   455  C CA   . GLY   A 1 31  ? -25.81  -20.141 -41.331 1   66.047 ? 43  GLY   A CA   1 ? 1 
ATOM   456  C C    . GLY   A 1 31  ? -25.147 -18.769 -41.433 1   66.555 ? 43  GLY   A C    1 ? 1 
ATOM   457  O O    . GLY   A 1 31  ? -23.937 -18.7   -41.558 1   73.71  ? 43  GLY   A O    1 ? 1 
ATOM   458  H H    . GLY   A 1 31  ? -24.822 -21.699 -42.234 1   66.105 ? 43  GLY   A H    1 c 1 
ATOM   459  H HA2  . GLY   A 1 31  ? -26.486 -20.234 -42.043 1   68.233 ? 43  GLY   A HA2  1 c 1 
ATOM   460  H HA3  . GLY   A 1 31  ? -26.27  -20.221 -40.463 1   64.939 ? 43  GLY   A HA3  1 c 1 
ATOM   461  N N    . GLU   A 1 32  ? -25.948 -17.694 -41.388 1   63.808 ? 44  GLU   A N    1 ? 1 
ATOM   462  C CA   . GLU   A 1 32  ? -25.427 -16.329 -41.503 1   61.852 ? 44  GLU   A CA   1 ? 1 
ATOM   463  C C    . GLU   A 1 32  ? -25.238 -15.689 -40.115 1   54.113 ? 44  GLU   A C    1 ? 1 
ATOM   464  O O    . GLU   A 1 32  ? -24.454 -14.787 -39.977 1   52.006 ? 44  GLU   A O    1 ? 1 
ATOM   465  C CB   . GLU   A 1 32  ? -26.309 -15.515 -42.463 1   59.017 ? 44  GLU   A CB   1 ? 1 
ATOM   466  H H    . GLU   A 1 32  ? -26.848 -17.815 -41.286 1   65.551 ? 44  GLU   A H    1 c 1 
ATOM   467  H HA   . GLU   A 1 32  ? -24.533 -16.383 -41.926 1   59.709 ? 44  GLU   A HA   1 c 1 
ATOM   468  H HB2  . GLU   A 1 32  ? -25.84  -15.014 -43.095 0   30     ? 44  GLU   A HB2  1 c 1 
ATOM   469  H HB3  . GLU   A 1 32  ? -27.3   -15.758 -42.222 0   30     ? 44  GLU   A HB3  1 c 1 
ATOM   470  N N    . GLU   A 1 33  ? -25.918 -16.203 -39.087 1   54.342 ? 45  GLU   A N    1 ? 1 
ATOM   471  C CA   . GLU   A 1 33  ? -26.012 -15.611 -37.763 1   51.663 ? 45  GLU   A CA   1 ? 1 
ATOM   472  C C    . GLU   A 1 33  ? -24.676 -15.608 -37.039 1   48.975 ? 45  GLU   A C    1 ? 1 
ATOM   473  O O    . GLU   A 1 33  ? -23.983 -16.632 -36.933 1   48.22  ? 45  GLU   A O    1 ? 1 
ATOM   474  C CB   . GLU   A 1 33  ? -27.027 -16.459 -36.989 1   58.481 ? 45  GLU   A CB   1 ? 1 
ATOM   475  C CG   . GLU   A 1 33  ? -27.624 -15.792 -35.757 1   64.958 ? 45  GLU   A CG   1 ? 1 
ATOM   476  C CD   . GLU   A 1 33  ? -29.108 -15.487 -35.807 1   71.207 ? 45  GLU   A CD   1 ? 1 
ATOM   477  O OE1  . GLU   A 1 33  ? -29.836 -16.458 -36.118 1   84.963 ? 45  GLU   A OE1  1 ? 1 
ATOM   478  O OE2  . GLU   A 1 33  ? -29.543 -14.338 -35.511 1   59.051 ? 45  GLU   A OE2  1 ? 1 
ATOM   479  H H    . GLU   A 1 33  ? -26.351 -16.995 -39.224 1   55.76  ? 45  GLU   A H    1 c 1 
ATOM   480  H HA   . GLU   A 1 33  ? -26.345 -14.682 -37.852 1   52.833 ? 45  GLU   A HA   1 c 1 
ATOM   481  H HB2  . GLU   A 1 33  ? -27.763 -16.693 -37.594 1   60.818 ? 45  GLU   A HB2  1 c 1 
ATOM   482  H HB3  . GLU   A 1 33  ? -26.594 -17.294 -36.713 1   58.213 ? 45  GLU   A HB3  1 c 1 
ATOM   483  H HG2  . GLU   A 1 33  ? -27.455 -16.365 -34.978 1   63.1   ? 45  GLU   A HG2  1 c 1 
ATOM   484  H HG3  . GLU   A 1 33  ? -27.146 -14.947 -35.599 1   62.137 ? 45  GLU   A HG3  1 c 1 
ATOM   485  N N    . THR   A 1 34  ? -24.348 -14.452 -36.435 1   44.003 ? 46  THR   A N    1 ? 1 
ATOM   486  C CA   . THR   A 1 34  ? -23.187 -14.326 -35.555 1   41.159 ? 46  THR   A CA   1 ? 1 
ATOM   487  C C    . THR   A 1 34  ? -23.722 -13.794 -34.237 1   42.443 ? 46  THR   A C    1 ? 1 
ATOM   488  O O    . THR   A 1 34  ? -24.773 -13.162 -34.224 1   41.687 ? 46  THR   A O    1 ? 1 
ATOM   489  C CB   . THR   A 1 34  ? -22.132 -13.402 -36.129 1   38.068 ? 46  THR   A CB   1 ? 1 
ATOM   490  O OG1  . THR   A 1 34  ? -22.815 -12.134 -36.232 1   39.359 ? 46  THR   A OG1  1 ? 1 
ATOM   491  C CG2  . THR   A 1 34  ? -21.653 -13.853 -37.497 1   40.255 ? 46  THR   A CG2  1 ? 1 
ATOM   492  H H    . THR   A 1 34  ? -24.87  -13.715 -36.575 1   45.285 ? 46  THR   A H    1 c 1 
ATOM   493  H HA   . THR   A 1 34  ? -22.794 -15.213 -35.412 1   41.018 ? 46  THR   A HA   1 c 1 
ATOM   494  H HB   . THR   A 1 34  ? -21.368 -13.323 -35.51  1   37.154 ? 46  THR   A HB   1 c 1 
ATOM   495  H HG1  . THR   A 1 34  ? -23.511 -12.211 -36.743 0   30     ? 46  THR   A HG1  1 c 1 
ATOM   496  H HG21 . THR   A 1 34  ? -20.861 -13.349 -37.746 1   39.364 ? 46  THR   A HG21 1 c 1 
ATOM   497  H HG22 . THR   A 1 34  ? -22.354 -13.7   -38.153 1   41.689 ? 46  THR   A HG22 1 c 1 
ATOM   498  H HG23 . THR   A 1 34  ? -21.438 -14.801 -37.469 1   40.179 ? 46  THR   A HG23 1 c 1 
ATOM   499  N N    . PRO   A 1 35  ? -23.063 -14.067 -33.095 1   36.982 ? 47  PRO   A N    1 ? 1 
ATOM   500  C CA   . PRO   A 1 35  ? -23.692 -13.756 -31.825 1   38.769 ? 47  PRO   A CA   1 ? 1 
ATOM   501  C C    . PRO   A 1 35  ? -23.77  -12.269 -31.522 1   35.944 ? 47  PRO   A C    1 ? 1 
ATOM   502  O O    . PRO   A 1 35  ? -22.901 -11.458 -31.889 1   37.632 ? 47  PRO   A O    1 ? 1 
ATOM   503  C CB   . PRO   A 1 35  ? -22.809 -14.49  -30.804 1   34.577 ? 47  PRO   A CB   1 ? 1 
ATOM   504  C CG   . PRO   A 1 35  ? -21.507 -14.694 -31.534 1   37.211 ? 47  PRO   A CG   1 ? 1 
ATOM   505  C CD   . PRO   A 1 35  ? -21.814 -14.816 -32.959 1   38.242 ? 47  PRO   A CD   1 ? 1 
ATOM   506  H HA   . PRO   A 1 35  ? -24.594 -14.14  -31.809 1   38.871 ? 47  PRO   A HA   1 c 1 
ATOM   507  H HB2  . PRO   A 1 35  ? -22.681 -13.951 -30     1   35.37  ? 47  PRO   A HB2  1 c 1 
ATOM   508  H HB3  . PRO   A 1 35  ? -23.206 -15.345 -30.551 1   36.914 ? 47  PRO   A HB3  1 c 1 
ATOM   509  H HG2  . PRO   A 1 35  ? -20.91  -13.934 -31.383 1   35.115 ? 47  PRO   A HG2  1 c 1 
ATOM   510  H HG3  . PRO   A 1 35  ? -21.061 -15.504 -31.216 1   35.981 ? 47  PRO   A HG3  1 c 1 
ATOM   511  H HD2  . PRO   A 1 35  ? -21.11  -14.421 -33.509 1   37.108 ? 47  PRO   A HD2  1 c 1 
ATOM   512  H HD3  . PRO   A 1 35  ? -21.94  -15.75  -33.217 1   38.573 ? 47  PRO   A HD3  1 c 1 
ATOM   513  N N    . MET   A 1 36  ? -24.71  -11.966 -30.66  1   37.487 ? 48  MET   A N    1 ? 1 
ATOM   514  C CA   . MET   A 1 36  ? -25.01  -10.579 -30.285 1   37.659 ? 48  MET   A CA   1 ? 1 
ATOM   515  C C    . MET   A 1 36  ? -24.443 -10.38  -28.896 1   38.553 ? 48  MET   A C    1 ? 1 
ATOM   516  O O    . MET   A 1 36  ? -24.384 -11.353 -28.119 1   34.675 ? 48  MET   A O    1 ? 1 
ATOM   517  C CB   . MET   A 1 36  ? -26.513 -10.343 -30.196 1   42.983 ? 48  MET   A CB   1 ? 1 
ATOM   518  C CG   . MET   A 1 36  ? -27.258 -10.458 -31.508 1   47.195 ? 48  MET   A CG   1 ? 1 
ATOM   519  S SD   . MET   A 1 36  ? -26.81  -9.173  -32.706 1   45.363 ? 48  MET   A SD   1 ? 1 
ATOM   520  C CE   . MET   A 1 36  ? -27.87  -9.674  -34.06  1   55.533 ? 48  MET   A CE   1 ? 1 
ATOM   521  H H    . MET   A 1 36  ? -25.197 -12.637 -30.277 1   38.049 ? 48  MET   A H    1 c 1 
ATOM   522  H HA   . MET   A 1 36  ? -24.589 -9.952  -30.927 1   38.202 ? 48  MET   A HA   1 c 1 
ATOM   523  H HB2  . MET   A 1 36  ? -26.89  -10.991 -29.563 1   43.289 ? 48  MET   A HB2  1 c 1 
ATOM   524  H HB3  . MET   A 1 36  ? -26.664 -9.447  -29.826 1   43.123 ? 48  MET   A HB3  1 c 1 
ATOM   525  H HG2  . MET   A 1 36  ? -27.076 -11.332 -31.906 1   46.041 ? 48  MET   A HG2  1 c 1 
ATOM   526  H HG3  . MET   A 1 36  ? -28.22  -10.403 -31.337 1   47.85  ? 48  MET   A HG3  1 c 1 
ATOM   527  H HE1  . MET   A 1 36  ? -27.754 -9.06   -34.808 1   53.999 ? 48  MET   A HE1  1 c 1 
ATOM   528  H HE2  . MET   A 1 36  ? -27.632 -10.577 -34.341 1   53.148 ? 48  MET   A HE2  1 c 1 
ATOM   529  H HE3  . MET   A 1 36  ? -28.8   -9.659  -33.768 1   54.888 ? 48  MET   A HE3  1 c 1 
ATOM   530  N N    . ILE   A 1 37  ? -24.216 -9.126  -28.534 1   34.548 ? 49  ILE   A N    1 ? 1 
ATOM   531  C CA   . ILE   A 1 37  ? -23.883 -8.817  -27.162 1   36.43  ? 49  ILE   A CA   1 ? 1 
ATOM   532  C C    . ILE   A 1 37  ? -24.908 -9.386  -26.198 1   34.456 ? 49  ILE   A C    1 ? 1 
ATOM   533  O O    . ILE   A 1 37  ? -26.075 -9.173  -26.349 1   36.106 ? 49  ILE   A O    1 ? 1 
ATOM   534  C CB   . ILE   A 1 37  ? -23.664 -7.319  -26.929 1   39.812 ? 49  ILE   A CB   1 ? 1 
ATOM   535  C CG1  . ILE   A 1 37  ? -22.444 -6.821  -27.675 1   37.873 ? 49  ILE   A CG1  1 ? 1 
ATOM   536  C CG2  . ILE   A 1 37  ? -23.512 -7.055  -25.437 1   41.71  ? 49  ILE   A CG2  1 ? 1 
ATOM   537  C CD1  . ILE   A 1 37  ? -22.151 -5.364  -27.446 1   41.926 ? 49  ILE   A CD1  1 ? 1 
ATOM   538  H H    . ILE   A 1 37  ? -24.274 -8.45   -29.147 1   36.352 ? 49  ILE   A H    1 c 1 
ATOM   539  H HA   . ILE   A 1 37  ? -23.033 -9.259  -26.974 1   34.434 ? 49  ILE   A HA   1 c 1 
ATOM   540  H HB   . ILE   A 1 37  ? -24.448 -6.835  -27.256 1   40.797 ? 49  ILE   A HB   1 c 1 
ATOM   541  H HG12 . ILE   A 1 37  ? -21.667 -7.347  -27.394 1   37.405 ? 49  ILE   A HG12 1 c 1 
ATOM   542  H HG13 . ILE   A 1 37  ? -22.576 -6.969  -28.633 1   38.766 ? 49  ILE   A HG13 1 c 1 
ATOM   543  H HG21 . ILE   A 1 37  ? -23.227 -6.138  -25.292 1   41.459 ? 49  ILE   A HG21 1 c 1 
ATOM   544  H HG22 . ILE   A 1 37  ? -22.849 -7.66   -25.064 1   40.066 ? 49  ILE   A HG22 1 c 1 
ATOM   545  H HG23 . ILE   A 1 37  ? -24.363 -7.196  -24.99  1   42.566 ? 49  ILE   A HG23 1 c 1 
ATOM   546  H HD11 . ILE   A 1 37  ? -22.987 -4.878  -27.311 1   42.374 ? 49  ILE   A HD11 1 c 1 
ATOM   547  H HD12 . ILE   A 1 37  ? -21.688 -5.001  -28.224 1   40.568 ? 49  ILE   A HD12 1 c 1 
ATOM   548  H HD13 . ILE   A 1 37  ? -21.586 -5.263  -26.657 1   40.317 ? 49  ILE   A HD13 1 c 1 
ATOM   549  N N    . GLY   A 1 38  ? -24.417 -10.044 -25.129 1   33.533 ? 50  GLY   A N    1 ? 1 
ATOM   550  C CA   . GLY   A 1 38  ? -25.252 -10.685 -24.137 1   33.747 ? 50  GLY   A CA   1 ? 1 
ATOM   551  C C    . GLY   A 1 38  ? -25.476 -12.183 -24.384 1   36.516 ? 50  GLY   A C    1 ? 1 
ATOM   552  O O    . GLY   A 1 38  ? -26.103 -12.846 -23.528 1   39.744 ? 50  GLY   A O    1 ? 1 
ATOM   553  H H    . GLY   A 1 38  ? -23.511 -10.088 -25.021 1   31.973 ? 50  GLY   A H    1 c 1 
ATOM   554  H HA2  . GLY   A 1 38  ? -24.834 -10.567 -23.252 1   34.531 ? 50  GLY   A HA2  1 c 1 
ATOM   555  H HA3  . GLY   A 1 38  ? -26.126 -10.229 -24.113 1   36.196 ? 50  GLY   A HA3  1 c 1 
ATOM   556  N N    . ASP   A 1 39  ? -25.221 -12.673 -25.611 1   34.463 ? 51  ASP   A N    1 ? 1 
ATOM   557  C CA   . ASP   A 1 39  ? -25.532 -14.067 -25.932 1   39.017 ? 51  ASP   A CA   1 ? 1 
ATOM   558  C C    . ASP   A 1 39  ? -24.578 -14.945 -25.089 1   35.455 ? 51  ASP   A C    1 ? 1 
ATOM   559  O O    . ASP   A 1 39  ? -23.438 -14.56  -24.82  1   35.253 ? 51  ASP   A O    1 ? 1 
ATOM   560  C CB   . ASP   A 1 39  ? -25.307 -14.404 -27.411 1   33.789 ? 51  ASP   A CB   1 ? 1 
ATOM   561  C CG   . ASP   A 1 39  ? -26.423 -14.003 -28.378 1   36.876 ? 51  ASP   A CG   1 ? 1 
ATOM   562  O OD1  . ASP   A 1 39  ? -27.454 -13.579 -27.899 1   38.766 ? 51  ASP   A OD1  1 ? 1 
ATOM   563  O OD2  . ASP   A 1 39  ? -26.244 -14.162 -29.637 1   39.734 ? 51  ASP   A OD2  1 ? 1 
ATOM   564  H H    . ASP   A 1 39  ? -24.85  -12.14  -26.254 1   34.576 ? 51  ASP   A H    1 c 1 
ATOM   565  H HA   . ASP   A 1 39  ? -26.464 -14.256 -25.676 1   38.627 ? 51  ASP   A HA   1 c 1 
ATOM   566  H HB2  . ASP   A 1 39  ? -24.479 -13.971 -27.707 1   33.58  ? 51  ASP   A HB2  1 c 1 
ATOM   567  H HB3  . ASP   A 1 39  ? -25.179 -15.373 -27.493 1   35.385 ? 51  ASP   A HB3  1 c 1 
ATOM   568  N N    . LYS   A 1 40  ? -25.048 -16.148 -24.717 1   39.857 ? 52  LYS   A N    1 ? 1 
ATOM   569  C CA   . LYS   A 1 40  ? -24.184 -17.13  -24.072 1   39.371 ? 52  LYS   A CA   1 ? 1 
ATOM   570  C C    . LYS   A 1 40  ? -23.453 -17.875 -25.173 1   36.032 ? 52  LYS   A C    1 ? 1 
ATOM   571  O O    . LYS   A 1 40  ? -24.099 -18.448 -26.067 1   41.722 ? 52  LYS   A O    1 ? 1 
ATOM   572  C CB   . LYS   A 1 40  ? -25.108 -18.061 -23.245 1   43.883 ? 52  LYS   A CB   1 ? 1 
ATOM   573  C CG   . LYS   A 1 40  ? -24.363 -19.082 -22.403 1   47.671 ? 52  LYS   A CG   1 ? 1 
ATOM   574  C CD   . LYS   A 1 40  ? -25.242 -20.126 -21.726 1   58.367 ? 52  LYS   A CD   1 ? 1 
ATOM   575  C CE   . LYS   A 1 40  ? -24.496 -20.925 -20.707 1   62.169 ? 52  LYS   A CE   1 ? 1 
ATOM   576  N NZ   . LYS   A 1 40  ? -25.456 -21.611 -19.857 1   68.726 ? 52  LYS   A NZ   1 ? 1 
ATOM   577  H H    . LYS   A 1 40  ? -25.924 -16.361 -24.872 1   40.691 ? 52  LYS   A H    1 c 1 
ATOM   578  H HA   . LYS   A 1 40  ? -23.536 -16.663 -23.484 1   38.17  ? 52  LYS   A HA   1 c 1 
ATOM   579  H HB2  . LYS   A 1 40  ? -25.663 -17.512 -22.651 1   45.111 ? 52  LYS   A HB2  1 c 1 
ATOM   580  H HB3  . LYS   A 1 40  ? -25.707 -18.539 -23.857 1   45.313 ? 52  LYS   A HB3  1 c 1 
ATOM   581  H HG2  . LYS   A 1 40  ? -23.714 -19.543 -22.977 1   47.351 ? 52  LYS   A HG2  1 c 1 
ATOM   582  H HG3  . LYS   A 1 40  ? -23.856 -18.601 -21.713 1   47.642 ? 52  LYS   A HG3  1 c 1 
ATOM   583  H HD2  . LYS   A 1 40  ? -25.995 -19.673 -21.289 1   58.429 ? 52  LYS   A HD2  1 c 1 
ATOM   584  H HD3  . LYS   A 1 40  ? -25.607 -20.728 -22.407 1   58.015 ? 52  LYS   A HD3  1 c 1 
ATOM   585  H HE2  . LYS   A 1 40  ? -23.92  -21.578 -21.14  1   61.518 ? 52  LYS   A HE2  1 c 1 
ATOM   586  H HE3  . LYS   A 1 40  ? -23.944 -20.338 -20.159 1   60.94  ? 52  LYS   A HE3  1 c 1 
ATOM   587  H HZ1  . LYS   A 1 40  ? -26.034 -22.088 -20.367 1   68.905 ? 52  LYS   A HZ1  1 c 1 
ATOM   588  H HZ2  . LYS   A 1 40  ? -25.919 -21.007 -19.366 1   68.322 ? 52  LYS   A HZ2  1 c 1 
ATOM   589  H HZ3  . LYS   A 1 40  ? -25.02  -22.175 -19.298 1   68.51  ? 52  LYS   A HZ3  1 c 1 
ATOM   590  N N    . VAL   A 1 41  ? -22.111 -17.863 -25.101 1   34.801 ? 53  VAL   A N    1 ? 1 
ATOM   591  C CA   . VAL   A 1 41  ? -21.285 -18.414 -26.163 1   34.934 ? 53  VAL   A CA   1 ? 1 
ATOM   592  C C    . VAL   A 1 41  ? -20.512 -19.641 -25.663 1   36.508 ? 53  VAL   A C    1 ? 1 
ATOM   593  O O    . VAL   A 1 41  ? -19.955 -19.573 -24.58  1   35.314 ? 53  VAL   A O    1 ? 1 
ATOM   594  C CB   . VAL   A 1 41  ? -20.391 -17.304 -26.721 1   36.071 ? 53  VAL   A CB   1 ? 1 
ATOM   595  C CG1  . VAL   A 1 41  ? -19.471 -17.857 -27.766 1   36.757 ? 53  VAL   A CG1  1 ? 1 
ATOM   596  C CG2  . VAL   A 1 41  ? -21.31  -16.178 -27.326 1   34.071 ? 53  VAL   A CG2  1 ? 1 
ATOM   597  H H    . VAL   A 1 41  ? -21.702 -17.503 -24.367 1   34.327 ? 53  VAL   A H    1 c 1 
ATOM   598  H HA   . VAL   A 1 41  ? -21.877 -18.707 -26.883 1   36.483 ? 53  VAL   A HA   1 c 1 
ATOM   599  H HB   . VAL   A 1 41  ? -19.862 -16.934 -25.976 1   34.456 ? 53  VAL   A HB   1 c 1 
ATOM   600  H HG11 . VAL   A 1 41  ? -19.924 -18.562 -28.258 1   37.439 ? 53  VAL   A HG11 1 c 1 
ATOM   601  H HG12 . VAL   A 1 41  ? -18.676 -18.219 -27.34  1   35.825 ? 53  VAL   A HG12 1 c 1 
ATOM   602  H HG13 . VAL   A 1 41  ? -19.214 -17.149 -28.38  1   35.514 ? 53  VAL   A HG13 1 c 1 
ATOM   603  H HG21 . VAL   A 1 41  ? -20.762 -15.535 -27.807 1   33.595 ? 53  VAL   A HG21 1 c 1 
ATOM   604  H HG22 . VAL   A 1 41  ? -21.784 -15.725 -26.61  1   35.024 ? 53  VAL   A HG22 1 c 1 
ATOM   605  H HG23 . VAL   A 1 41  ? -21.952 -16.577 -27.938 1   35.75  ? 53  VAL   A HG23 1 c 1 
ATOM   606  N N    . TYR   A 1 42  ? -20.478 -20.683 -26.511 1   38.837 ? 54  TYR   A N    1 ? 1 
ATOM   607  C CA   . TYR   A 1 42  ? -19.8   -21.961 -26.228 1   38.151 ? 54  TYR   A CA   1 ? 1 
ATOM   608  C C    . TYR   A 1 42  ? -18.667 -22.14  -27.23  1   34.206 ? 54  TYR   A C    1 ? 1 
ATOM   609  O O    . TYR   A 1 42  ? -18.925 -22.224 -28.439 1   39.03  ? 54  TYR   A O    1 ? 1 
ATOM   610  C CB   . TYR   A 1 42  ? -20.784 -23.125 -26.34  1   43.366 ? 54  TYR   A CB   1 ? 1 
ATOM   611  C CG   . TYR   A 1 42  ? -21.944 -23.094 -25.346 1   47.983 ? 54  TYR   A CG   1 ? 1 
ATOM   612  C CD1  . TYR   A 1 42  ? -23.052 -22.278 -25.596 1   49.282 ? 54  TYR   A CD1  1 ? 1 
ATOM   613  C CD2  . TYR   A 1 42  ? -21.927 -23.834 -24.162 1   50.29  ? 54  TYR   A CD2  1 ? 1 
ATOM   614  C CE1  . TYR   A 1 42  ? -24.125 -22.235 -24.73  1   52.914 ? 54  TYR   A CE1  1 ? 1 
ATOM   615  C CE2  . TYR   A 1 42  ? -23.011 -23.814 -23.295 1   57.849 ? 54  TYR   A CE2  1 ? 1 
ATOM   616  C CZ   . TYR   A 1 42  ? -24.09  -22.981 -23.569 1   57.357 ? 54  TYR   A CZ   1 ? 1 
ATOM   617  O OH   . TYR   A 1 42  ? -25.199 -22.913 -22.786 1   66.427 ? 54  TYR   A OH   1 ? 1 
ATOM   618  H H    . TYR   A 1 42  ? -20.901 -20.595 -27.317 1   38.425 ? 54  TYR   A H    1 c 1 
ATOM   619  H HA   . TYR   A 1 42  ? -19.426 -21.937 -25.308 1   38.025 ? 54  TYR   A HA   1 c 1 
ATOM   620  H HB2  . TYR   A 1 42  ? -21.152 -23.132 -27.252 1   43.798 ? 54  TYR   A HB2  1 c 1 
ATOM   621  H HB3  . TYR   A 1 42  ? -20.286 -23.963 -26.216 1   44.274 ? 54  TYR   A HB3  1 c 1 
ATOM   622  H HD1  . TYR   A 1 42  ? -23.078 -21.764 -26.387 1   48.503 ? 54  TYR   A HD1  1 c 1 
ATOM   623  H HD2  . TYR   A 1 42  ? -21.194 -24.399 -23.977 1   51.499 ? 54  TYR   A HD2  1 c 1 
ATOM   624  H HE1  . TYR   A 1 42  ? -24.869 -21.69  -24.921 1   53.406 ? 54  TYR   A HE1  1 c 1 
ATOM   625  H HE2  . TYR   A 1 42  ? -22.996 -24.324 -22.502 1   57.736 ? 54  TYR   A HE2  1 c 1 
ATOM   626  H HH   . TYR   A 1 42  ? -25.799 -22.459 -23.022 0   30     ? 54  TYR   A HH   1 c 1 
ATOM   627  N N    . VAL   A 1 43  ? -17.445 -22.334 -26.74  1   35.225 ? 55  VAL   A N    1 ? 1 
ATOM   628  C CA   . VAL   A 1 43  ? -16.309 -22.541 -27.615 1   33.673 ? 55  VAL   A CA   1 ? 1 
ATOM   629  C C    . VAL   A 1 43  ? -15.375 -23.623 -27.081 1   38.896 ? 55  VAL   A C    1 ? 1 
ATOM   630  O O    . VAL   A 1 43  ? -15.367 -23.921 -25.903 1   37.863 ? 55  VAL   A O    1 ? 1 
ATOM   631  C CB   . VAL   A 1 43  ? -15.507 -21.245 -27.784 1   33.58  ? 55  VAL   A CB   1 ? 1 
ATOM   632  C CG1  . VAL   A 1 43  ? -16.359 -20.064 -28.257 1   31.92  ? 55  VAL   A CG1  1 ? 1 
ATOM   633  C CG2  . VAL   A 1 43  ? -14.684 -20.845 -26.571 1   33.319 ? 55  VAL   A CG2  1 ? 1 
ATOM   634  H H    . VAL   A 1 43  ? -17.314 -22.337 -25.835 1   34.601 ? 55  VAL   A H    1 c 1 
ATOM   635  H HA   . VAL   A 1 43  ? -16.638 -22.82  -28.488 1   35.859 ? 55  VAL   A HA   1 c 1 
ATOM   636  H HB   . VAL   A 1 43  ? -14.857 -21.417 -28.504 1   33.091 ? 55  VAL   A HB   1 c 1 
ATOM   637  H HG11 . VAL   A 1 43  ? -16.928 -19.763 -27.529 1   32.169 ? 55  VAL   A HG11 1 c 1 
ATOM   638  H HG12 . VAL   A 1 43  ? -16.913 -20.342 -29.006 1   33.093 ? 55  VAL   A HG12 1 c 1 
ATOM   639  H HG13 . VAL   A 1 43  ? -15.779 -19.336 -28.537 1   30.953 ? 55  VAL   A HG13 1 c 1 
ATOM   640  H HG21 . VAL   A 1 43  ? -14.416 -19.916 -26.655 1   31.719 ? 55  VAL   A HG21 1 c 1 
ATOM   641  H HG22 . VAL   A 1 43  ? -13.891 -21.405 -26.515 1   33.371 ? 55  VAL   A HG22 1 c 1 
ATOM   642  H HG23 . VAL   A 1 43  ? -15.216 -20.957 -25.765 1   33.617 ? 55  VAL   A HG23 1 c 1 
ATOM   643  N N    . HIS   A 1 44  ? -14.549 -24.138 -27.986 1   41.644 ? 56  HIS   A N    1 ? 1 
ATOM   644  C CA   . HIS   A 1 44  ? -13.286 -24.788 -27.678 1   39.739 ? 56  HIS   A CA   1 ? 1 
ATOM   645  C C    . HIS   A 1 44  ? -12.198 -23.864 -28.199 1   33.85  ? 56  HIS   A C    1 ? 1 
ATOM   646  O O    . HIS   A 1 44  ? -12.36  -23.192 -29.212 1   36.818 ? 56  HIS   A O    1 ? 1 
ATOM   647  C CB   . HIS   A 1 44  ? -13.158 -26.199 -28.302 1   43.96  ? 56  HIS   A CB   1 ? 1 
ATOM   648  C CG   . HIS   A 1 44  ? -13.8   -27.224 -27.455 1   46.02  ? 56  HIS   A CG   1 ? 1 
ATOM   649  N ND1  . HIS   A 1 44  ? -13.394 -27.398 -26.145 1   49.459 ? 56  HIS   A ND1  1 ? 1 
ATOM   650  C CD2  . HIS   A 1 44  ? -14.744 -28.097 -27.691 1   51.51  ? 56  HIS   A CD2  1 ? 1 
ATOM   651  C CE1  . HIS   A 1 44  ? -14.11  -28.372 -25.62  1   51.747 ? 56  HIS   A CE1  1 ? 1 
ATOM   652  N NE2  . HIS   A 1 44  ? -14.939 -28.793 -26.548 1   54.459 ? 56  HIS   A NE2  1 ? 1 
ATOM   653  H H    . HIS   A 1 44  ? -14.793 -24.083 -28.865 1   40.702 ? 56  HIS   A H    1 c 1 
ATOM   654  H HA   . HIS   A 1 44  ? -13.197 -24.851 -26.697 1   39.62  ? 56  HIS   A HA   1 c 1 
ATOM   655  H HB2  . HIS   A 1 44  ? -13.582 -26.197 -29.187 1   44.041 ? 56  HIS   A HB2  1 c 1 
ATOM   656  H HB3  . HIS   A 1 44  ? -12.207 -26.416 -28.407 1   43.699 ? 56  HIS   A HB3  1 c 1 
ATOM   657  H HD1  . HIS   A 1 44  ? -12.777 -26.923 -25.709 0   30     ? 56  HIS   A HD1  1 c 1 
ATOM   658  H HD2  . HIS   A 1 44  ? -15.215 -28.214 -28.493 1   51.766 ? 56  HIS   A HD2  1 c 1 
ATOM   659  H HE1  . HIS   A 1 44  ? -14.048 -28.698 -24.739 1   53.013 ? 56  HIS   A HE1  1 c 1 
ATOM   660  H HE2  . HIS   A 1 44  ? -15.468 -29.494 -26.455 0   30     ? 56  HIS   A HE2  1 c 1 
ATOM   661  N N    . TYR   A 1 45  ? -11.094 -23.788 -27.477 1   34.301 ? 57  TYR   A N    1 ? 1 
ATOM   662  C CA   . TYR   A 1 45  ? -9.983  -22.941 -27.865 1   33.874 ? 57  TYR   A CA   1 ? 1 
ATOM   663  C C    . TYR   A 1 45  ? -8.646  -23.516 -27.381 1   34.67  ? 57  TYR   A C    1 ? 1 
ATOM   664  O O    . TYR   A 1 45  ? -8.573  -24.319 -26.451 1   33.664 ? 57  TYR   A O    1 ? 1 
ATOM   665  C CB   . TYR   A 1 45  ? -10.126 -21.506 -27.341 1   32.293 ? 57  TYR   A CB   1 ? 1 
ATOM   666  C CG   . TYR   A 1 45  ? -9.876  -21.41  -25.851 1   28.86  ? 57  TYR   A CG   1 ? 1 
ATOM   667  C CD1  . TYR   A 1 45  ? -10.864 -21.685 -24.883 1   31.216 ? 57  TYR   A CD1  1 ? 1 
ATOM   668  C CD2  . TYR   A 1 45  ? -8.628  -21.095 -25.417 1   27.144 ? 57  TYR   A CD2  1 ? 1 
ATOM   669  C CE1  . TYR   A 1 45  ? -10.532 -21.676 -23.514 1   29.239 ? 57  TYR   A CE1  1 ? 1 
ATOM   670  C CE2  . TYR   A 1 45  ? -8.286  -21.079 -24.089 1   28.58  ? 57  TYR   A CE2  1 ? 1 
ATOM   671  C CZ   . TYR   A 1 45  ? -9.283  -21.289 -23.112 1   31.969 ? 57  TYR   A CZ   1 ? 1 
ATOM   672  O OH   . TYR   A 1 45  ? -8.887  -21.244 -21.776 1   30.064 ? 57  TYR   A OH   1 ? 1 
ATOM   673  H H    . TYR   A 1 45  ? -11.024 -24.283 -26.712 1   35.106 ? 57  TYR   A H    1 c 1 
ATOM   674  H HA   . TYR   A 1 45  ? -9.961  -22.905 -28.855 1   34.031 ? 57  TYR   A HA   1 c 1 
ATOM   675  H HB2  . TYR   A 1 45  ? -9.486  -20.93  -27.815 1   30.56  ? 57  TYR   A HB2  1 c 1 
ATOM   676  H HB3  . TYR   A 1 45  ? -11.035 -21.187 -27.537 1   31.124 ? 57  TYR   A HB3  1 c 1 
ATOM   677  H HD1  . TYR   A 1 45  ? -11.734 -21.931 -25.154 1   30.857 ? 57  TYR   A HD1  1 c 1 
ATOM   678  H HD2  . TYR   A 1 45  ? -7.954  -20.93  -26.057 1   27.533 ? 57  TYR   A HD2  1 c 1 
ATOM   679  H HE1  . TYR   A 1 45  ? -11.202 -21.827 -22.869 1   31.206 ? 57  TYR   A HE1  1 c 1 
ATOM   680  H HE2  . TYR   A 1 45  ? -7.418  -20.824 -23.829 1   28.637 ? 57  TYR   A HE2  1 c 1 
ATOM   681  H HH   . TYR   A 1 45  ? -9.583  -21.482 -21.292 0   30     ? 57  TYR   A HH   1 c 1 
ATOM   682  N N    . LYS   A 1 46  ? -7.596  -23.052 -28.068 1   33.028 ? 58  LYS   A N    1 ? 1 
ATOM   683  C CA   . LYS   A 1 46  ? -6.234  -23.218 -27.624 1   34.059 ? 58  LYS   A CA   1 ? 1 
ATOM   684  C C    . LYS   A 1 46  ? -5.597  -21.866 -27.779 1   35.854 ? 58  LYS   A C    1 ? 1 
ATOM   685  O O    . LYS   A 1 46  ? -5.926  -21.11  -28.676 1   37.519 ? 58  LYS   A O    1 ? 1 
ATOM   686  C CB   . LYS   A 1 46  ? -5.322  -24.127 -28.476 1   38.494 ? 58  LYS   A CB   1 ? 1 
ATOM   687  C CG   . LYS   A 1 46  ? -5.947  -25.431 -28.689 1   45.909 ? 58  LYS   A CG   1 ? 1 
ATOM   688  C CD   . LYS   A 1 46  ? -5.033  -26.564 -29.162 1   53.079 ? 58  LYS   A CD   1 ? 1 
ATOM   689  C CE   . LYS   A 1 46  ? -5.254  -26.965 -30.557 1   51.699 ? 58  LYS   A CE   1 ? 1 
ATOM   690  N NZ   . LYS   A 1 46  ? -4.527  -28.184 -30.841 1   48.974 ? 58  LYS   A NZ   1 ? 1 
ATOM   691  H H    . LYS   A 1 46  ? -7.744  -22.615 -28.857 1   33.039 ? 58  LYS   A H    1 c 1 
ATOM   692  H HA   . LYS   A 1 46  ? -6.227  -23.49  -26.674 1   35.226 ? 58  LYS   A HA   1 c 1 
ATOM   693  H HB2  . LYS   A 1 46  ? -5.151  -23.707 -29.346 1   38.802 ? 58  LYS   A HB2  1 c 1 
ATOM   694  H HB3  . LYS   A 1 46  ? -4.463  -24.253 -28.019 1   39.462 ? 58  LYS   A HB3  1 c 1 
ATOM   695  H HG2  . LYS   A 1 46  ? -6.369  -25.706 -27.846 1   45.552 ? 58  LYS   A HG2  1 c 1 
ATOM   696  H HG3  . LYS   A 1 46  ? -6.668  -25.316 -29.346 1   45.377 ? 58  LYS   A HG3  1 c 1 
ATOM   697  H HD2  . LYS   A 1 46  ? -4.1    -26.282 -29.058 1   51.035 ? 58  LYS   A HD2  1 c 1 
ATOM   698  H HD3  . LYS   A 1 46  ? -5.175  -27.343 -28.582 1   52.586 ? 58  LYS   A HD3  1 c 1 
ATOM   699  H HE2  . LYS   A 1 46  ? -6.203  -27.115 -30.715 1   50.907 ? 58  LYS   A HE2  1 c 1 
ATOM   700  H HE3  . LYS   A 1 46  ? -4.947  -26.261 -31.156 1   49.874 ? 58  LYS   A HE3  1 c 1 
ATOM   701  H HZ1  . LYS   A 1 46  ? -4.887  -28.873 -30.375 1   51.844 ? 58  LYS   A HZ1  1 c 1 
ATOM   702  H HZ2  . LYS   A 1 46  ? -3.657  -28.088 -30.606 1   50.731 ? 58  LYS   A HZ2  1 c 1 
ATOM   703  H HZ3  . LYS   A 1 46  ? -4.575  -28.368 -31.727 1   51.817 ? 58  LYS   A HZ3  1 c 1 
ATOM   704  N N    . GLY   A 1 47  ? -4.758  -21.532 -26.799 1   32.497 ? 59  GLY   A N    1 ? 1 
ATOM   705  C CA   . GLY   A 1 47  ? -4.201  -20.206 -26.743 1   33.458 ? 59  GLY   A CA   1 ? 1 
ATOM   706  C C    . GLY   A 1 47  ? -2.741  -20.294 -26.306 1   32.58  ? 59  GLY   A C    1 ? 1 
ATOM   707  O O    . GLY   A 1 47  ? -2.289  -21.226 -25.589 1   31.511 ? 59  GLY   A O    1 ? 1 
ATOM   708  H H    . GLY   A 1 47  ? -4.529  -22.141 -26.158 1   34.568 ? 59  GLY   A H    1 c 1 
ATOM   709  H HA2  . GLY   A 1 47  ? -4.261  -19.783 -27.629 1   32.142 ? 59  GLY   A HA2  1 c 1 
ATOM   710  H HA3  . GLY   A 1 47  ? -4.713  -19.66  -26.102 1   31.56  ? 59  GLY   A HA3  1 c 1 
ATOM   711  N N    . LYS   A 1 48  ? -1.951  -19.292 -26.73  1   27.41  ? 60  LYS   A N    1 ? 1 
ATOM   712  C CA   . LYS   A 1 48  ? -0.549  -19.297 -26.378 1   26.804 ? 60  LYS   A CA   1 ? 1 
ATOM   713  C C    . LYS   A 1 48  ? -0.032  -17.85  -26.407 1   28.179 ? 60  LYS   A C    1 ? 1 
ATOM   714  O O    . LYS   A 1 48  ? -0.601  -17.033 -27.056 1   27.189 ? 60  LYS   A O    1 ? 1 
ATOM   715  C CB   . LYS   A 1 48  ? 0.369   -20.269 -27.111 1   28.711 ? 60  LYS   A CB   1 ? 1 
ATOM   716  C CG   . LYS   A 1 48  ? 0.379   -19.97  -28.594 1   32.715 ? 60  LYS   A CG   1 ? 1 
ATOM   717  C CD   . LYS   A 1 48  ? 1.342   -20.822 -29.393 1   39.384 ? 60  LYS   A CD   1 ? 1 
ATOM   718  C CE   . LYS   A 1 48  ? 1.171   -20.634 -30.874 1   43.147 ? 60  LYS   A CE   1 ? 1 
ATOM   719  N NZ   . LYS   A 1 48  ? 2.354   -21.175 -31.569 1   52.048 ? 60  LYS   A NZ   1 ? 1 
ATOM   720  H H    . LYS   A 1 48  ? -2.29   -18.612 -27.238 1   27.292 ? 60  LYS   A H    1 c 1 
ATOM   721  H HA   . LYS   A 1 48  ? -0.501  -19.583 -25.432 1   27.851 ? 60  LYS   A HA   1 c 1 
ATOM   722  H HB2  . LYS   A 1 48  ? 1.282   -20.192 -26.76  1   30.185 ? 60  LYS   A HB2  1 c 1 
ATOM   723  H HB3  . LYS   A 1 48  ? 0.059   -21.189 -26.969 1   30.384 ? 60  LYS   A HB3  1 c 1 
ATOM   724  H HG2  . LYS   A 1 48  ? -0.528  -20.102 -28.944 1   32.171 ? 60  LYS   A HG2  1 c 1 
ATOM   725  H HG3  . LYS   A 1 48  ? 0.613   -19.025 -28.721 1   31.864 ? 60  LYS   A HG3  1 c 1 
ATOM   726  H HD2  . LYS   A 1 48  ? 2.263   -20.587 -29.144 1   39.591 ? 60  LYS   A HD2  1 c 1 
ATOM   727  H HD3  . LYS   A 1 48  ? 1.197   -21.767 -29.17  1   39.979 ? 60  LYS   A HD3  1 c 1 
ATOM   728  H HE2  . LYS   A 1 48  ? 0.374   -21.101 -31.181 1   43.813 ? 60  LYS   A HE2  1 c 1 
ATOM   729  H HE3  . LYS   A 1 48  ? 1.078   -19.687 -31.083 1   42.691 ? 60  LYS   A HE3  1 c 1 
ATOM   730  H HZ1  . LYS   A 1 48  ? 2.487   -22.038 -31.326 1   51.017 ? 60  LYS   A HZ1  1 c 1 
ATOM   731  H HZ2  . LYS   A 1 48  ? 3.087   -20.688 -31.353 1   49.925 ? 60  LYS   A HZ2  1 c 1 
ATOM   732  H HZ3  . LYS   A 1 48  ? 2.226   -21.136 -32.465 1   50.666 ? 60  LYS   A HZ3  1 c 1 
ATOM   733  N N    . LEU   A 1 49  ? 1.037   -17.586 -25.646 1   26.872 ? 61  LEU   A N    1 ? 1 
ATOM   734  C CA   . LEU   A 1 49  ? 1.837   -16.383 -25.884 1   31.849 ? 61  LEU   A CA   1 ? 1 
ATOM   735  C C    . LEU   A 1 49  ? 2.507   -16.527 -27.249 1   41.845 ? 61  LEU   A C    1 ? 1 
ATOM   736  O O    . LEU   A 1 49  ? 2.827   -17.641 -27.708 1   38.548 ? 61  LEU   A O    1 ? 1 
ATOM   737  C CB   . LEU   A 1 49  ? 2.889   -16.222 -24.801 1   36.46  ? 61  LEU   A CB   1 ? 1 
ATOM   738  C CG   . LEU   A 1 49  ? 2.355   -16.055 -23.384 1   37.979 ? 61  LEU   A CG   1 ? 1 
ATOM   739  C CD1  . LEU   A 1 49  ? 3.595   -15.86  -22.401 1   42.861 ? 61  LEU   A CD1  1 ? 1 
ATOM   740  C CD2  . LEU   A 1 49  ? 1.274   -14.954 -23.414 1   41.136 ? 61  LEU   A CD2  1 ? 1 
ATOM   741  H H    . LEU   A 1 49  ? 1.278   -18.16  -24.977 1   29.158 ? 61  LEU   A H    1 c 1 
ATOM   742  H HA   . LEU   A 1 49  ? 1.238   -15.594 -25.896 1   31.761 ? 61  LEU   A HA   1 c 1 
ATOM   743  H HB2  . LEU   A 1 49  ? 3.47    -17.016 -24.82  1   37.421 ? 61  LEU   A HB2  1 c 1 
ATOM   744  H HB3  . LEU   A 1 49  ? 3.44    -15.436 -25.021 1   36.377 ? 61  LEU   A HB3  1 c 1 
ATOM   745  H HG   . LEU   A 1 49  ? 1.907   -16.902 -23.129 1   39.036 ? 61  LEU   A HG   1 c 1 
ATOM   746  H HD11 . LEU   A 1 49  ? 4.184   -16.63  -22.464 1   43.004 ? 61  LEU   A HD11 1 c 1 
ATOM   747  H HD12 . LEU   A 1 49  ? 3.274   -15.772 -21.487 1   41.818 ? 61  LEU   A HD12 1 c 1 
ATOM   748  H HD13 . LEU   A 1 49  ? 4.084   -15.058 -22.65  1   41.938 ? 61  LEU   A HD13 1 c 1 
ATOM   749  H HD21 . LEU   A 1 49  ? 0.429   -15.336 -23.705 1   38.831 ? 61  LEU   A HD21 1 c 1 
ATOM   750  H HD22 . LEU   A 1 49  ? 1.541   -14.25  -24.028 1   39.316 ? 61  LEU   A HD22 1 c 1 
ATOM   751  H HD23 . LEU   A 1 49  ? 1.168   -14.581 -22.523 1   39.579 ? 61  LEU   A HD23 1 c 1 
ATOM   752  N N    . SER   A 1 50  ? 2.636   -15.42  -27.976 1   41.449 ? 62  SER   A N    1 ? 1 
ATOM   753  C CA   . SER   A 1 50  ? 3.232   -15.542 -29.312 1   48.904 ? 62  SER   A CA   1 ? 1 
ATOM   754  C C    . SER   A 1 50  ? 4.644   -16.16  -29.255 1   46.541 ? 62  SER   A C    1 ? 1 
ATOM   755  O O    . SER   A 1 50  ? 5.09    -16.815 -30.178 1   64.161 ? 62  SER   A O    1 ? 1 
ATOM   756  C CB   . SER   A 1 50  ? 3.208   -14.189 -30.029 1   47.421 ? 62  SER   A CB   1 ? 1 
ATOM   757  O OG   . SER   A 1 50  ? 4.118   -13.334 -29.348 1   46.926 ? 62  SER   A OG   1 ? 1 
ATOM   758  H H    . SER   A 1 50  ? 2.367   -14.605 -27.662 1   41.751 ? 62  SER   A H    1 c 1 
ATOM   759  H HA   . SER   A 1 50  ? 2.661   -16.163 -29.833 1   46.548 ? 62  SER   A HA   1 c 1 
ATOM   760  H HB2  . SER   A 1 50  ? 3.482   -14.299 -30.959 1   48.619 ? 62  SER   A HB2  1 c 1 
ATOM   761  H HB3  . SER   A 1 50  ? 2.308   -13.812 -30     1   46.158 ? 62  SER   A HB3  1 c 1 
ATOM   762  H HG   . SER   A 1 50  ? 4.121   -12.516 -29.654 0   30     ? 62  SER   A HG   1 c 1 
ATOM   763  N N    . ASN   A 1 51  ? 5.374   -15.971 -28.178 1   57.155 ? 63  ASN   A N    1 ? 1 
ATOM   764  C CA   . ASN   A 1 51  ? 6.637   -16.674 -27.959 1   69.438 ? 63  ASN   A CA   1 ? 1 
ATOM   765  C C    . ASN   A 1 51  ? 6.482   -18.139 -27.484 1   72.164 ? 63  ASN   A C    1 ? 1 
ATOM   766  O O    . ASN   A 1 51  ? 7.483   -18.833 -27.304 1   69.816 ? 63  ASN   A O    1 ? 1 
ATOM   767  C CB   . ASN   A 1 51  ? 7.46    -15.898 -26.94  1   61.971 ? 63  ASN   A CB   1 ? 1 
ATOM   768  C CG   . ASN   A 1 51  ? 6.695   -15.786 -25.655 1   76.896 ? 63  ASN   A CG   1 ? 1 
ATOM   769  O OD1  . ASN   A 1 51  ? 5.827   -16.62  -25.399 1   88.985 ? 63  ASN   A OD1  1 ? 1 
ATOM   770  N ND2  . ASN   A 1 51  ? 7.005   -14.813 -24.813 1   82.558 ? 63  ASN   A ND2  1 ? 1 
ATOM   771  H H    . ASN   A 1 51  ? 5.092   -15.367 -27.553 1   55.233 ? 63  ASN   A H    1 c 1 
ATOM   772  H HA   . ASN   A 1 51  ? 7.141   -16.673 -28.804 1   67.294 ? 63  ASN   A HA   1 c 1 
ATOM   773  H HB2  . ASN   A 1 51  ? 8.307   -16.359 -26.779 1   68.752 ? 63  ASN   A HB2  1 c 1 
ATOM   774  H HB3  . ASN   A 1 51  ? 7.653   -15.004 -27.286 1   67.201 ? 63  ASN   A HB3  1 c 1 
ATOM   775  H HD21 . ASN   A 1 51  ? 6.682   -14.822 -23.988 1   80.222 ? 63  ASN   A HD21 1 c 1 
ATOM   776  H HD22 . ASN   A 1 51  ? 7.537   -14.152 -25.075 1   81.017 ? 63  ASN   A HD22 1 c 1 
ATOM   777  N N    . GLY   A 1 52  ? 5.25    -18.62  -27.244 1   73.672 ? 64  GLY   A N    1 ? 1 
ATOM   778  C CA   . GLY   A 1 52  ? 4.931   -20.012 -26.909 1   67.4   ? 64  GLY   A CA   1 ? 1 
ATOM   779  C C    . GLY   A 1 52  ? 5.491   -20.475 -25.562 1   71.427 ? 64  GLY   A C    1 ? 1 
ATOM   780  O O    . GLY   A 1 52  ? 5.931   -21.616 -25.418 1   72.318 ? 64  GLY   A O    1 ? 1 
ATOM   781  H H    . GLY   A 1 52  ? 4.554   -18.031 -27.281 1   69.277 ? 64  GLY   A H    1 c 1 
ATOM   782  H HA2  . GLY   A 1 52  ? 3.951   -20.117 -26.902 1   68.571 ? 64  GLY   A HA2  1 c 1 
ATOM   783  H HA3  . GLY   A 1 52  ? 5.286   -20.595 -27.621 1   71.169 ? 64  GLY   A HA3  1 c 1 
ATOM   784  N N    . LYS   A 1 53  ? 5.463   -19.616 -24.538 1   67.808 ? 65  LYS   A N    1 ? 1 
ATOM   785  C CA   . LYS   A 1 53  ? 6.021   -19.988 -23.241 1   60.364 ? 65  LYS   A CA   1 ? 1 
ATOM   786  C C    . LYS   A 1 53  ? 4.927   -20.492 -22.253 1   52.477 ? 65  LYS   A C    1 ? 1 
ATOM   787  O O    . LYS   A 1 53  ? 5.235   -21.094 -21.22  1   55.221 ? 65  LYS   A O    1 ? 1 
ATOM   788  C CB   . LYS   A 1 53  ? 6.966   -18.855 -22.788 1   63.595 ? 65  LYS   A CB   1 ? 1 
ATOM   789  H H    . LYS   A 1 53  ? 5.087   -18.79  -24.644 1   64.691 ? 65  LYS   A H    1 c 1 
ATOM   790  H HA   . LYS   A 1 53  ? 6.624   -20.759 -23.395 1   62.83  ? 65  LYS   A HA   1 c 1 
ATOM   791  H HB2  . LYS   A 1 53  ? 7.88    -19.112 -22.828 0   30     ? 65  LYS   A HB2  1 c 1 
ATOM   792  H HB3  . LYS   A 1 53  ? 6.332   -18.179 -22.396 0   30     ? 65  LYS   A HB3  1 c 1 
ATOM   793  N N    . LYS   A 1 54  ? 3.649   -20.372 -22.62  1   39.725 ? 66  LYS   A N    1 ? 1 
ATOM   794  C CA   . LYS   A 1 54  ? 2.447   -20.575 -21.822 1   38.68  ? 66  LYS   A CA   1 ? 1 
ATOM   795  C C    . LYS   A 1 54  ? 1.413   -20.966 -22.882 1   43.039 ? 66  LYS   A C    1 ? 1 
ATOM   796  O O    . LYS   A 1 54  ? 1.297   -20.214 -23.869 1   48.656 ? 66  LYS   A O    1 ? 1 
ATOM   797  C CB   . LYS   A 1 54  ? 2.001   -19.262 -21.142 1   34.998 ? 66  LYS   A CB   1 ? 1 
ATOM   798  H H    . LYS   A 1 54  ? 3.513   -20.127 -23.489 1   41.733 ? 66  LYS   A H    1 c 1 
ATOM   799  H HA   . LYS   A 1 54  ? 2.589   -21.312 -21.176 1   40.656 ? 66  LYS   A HA   1 c 1 
ATOM   800  H HB2  . LYS   A 1 54  ? 2.829   -18.913 -20.756 0   30     ? 66  LYS   A HB2  1 c 1 
ATOM   801  H HB3  . LYS   A 1 54  ? 1.062   -19.392 -21.078 0   30     ? 66  LYS   A HB3  1 c 1 
ATOM   802  N N    . PHE   A 1 55  ? 0.945   -22.214 -22.848 1   40.135 ? 67  PHE   A N    1 ? 1 
ATOM   803  C CA   . PHE   A 1 55  ? -0.127  -22.755 -23.677 1   38.267 ? 67  PHE   A CA   1 ? 1 
ATOM   804  C C    . PHE   A 1 55  ? -1.315  -23.172 -22.812 1   37.409 ? 67  PHE   A C    1 ? 1 
ATOM   805  O O    . PHE   A 1 55  ? -1.094  -23.678 -21.721 1   42.483 ? 67  PHE   A O    1 ? 1 
ATOM   806  C CB   . PHE   A 1 55  ? 0.554   -23.986 -24.328 1   40.55  ? 67  PHE   A CB   1 ? 1 
ATOM   807  C CG   . PHE   A 1 55  ? -0.229  -24.581 -25.502 1   50.924 ? 67  PHE   A CG   1 ? 1 
ATOM   808  C CD1  . PHE   A 1 55  ? -1.241  -25.528 -25.299 1   55.428 ? 67  PHE   A CD1  1 ? 1 
ATOM   809  C CD2  . PHE   A 1 55  ? 0.07    -24.211 -26.816 1   58.568 ? 67  PHE   A CD2  1 ? 1 
ATOM   810  C CE1  . PHE   A 1 55  ? -1.953  -26.059 -26.375 1   55.164 ? 67  PHE   A CE1  1 ? 1 
ATOM   811  C CE2  . PHE   A 1 55  ? -0.624  -24.766 -27.901 1   62.934 ? 67  PHE   A CE2  1 ? 1 
ATOM   812  C CZ   . PHE   A 1 55  ? -1.629  -25.691 -27.673 1   57.375 ? 67  PHE   A CZ   1 ? 1 
ATOM   813  H H    . PHE   A 1 55  ? 1.332   -22.784 -22.248 1   42.046 ? 67  PHE   A H    1 c 1 
ATOM   814  H HA   . PHE   A 1 55  ? -0.4    -22.098 -24.368 1   37.103 ? 67  PHE   A HA   1 c 1 
ATOM   815  H HB2  . PHE   A 1 55  ? 1.446   -23.72  -24.645 1   42.877 ? 67  PHE   A HB2  1 c 1 
ATOM   816  H HB3  . PHE   A 1 55  ? 0.672   -24.679 -23.641 1   43.953 ? 67  PHE   A HB3  1 c 1 
ATOM   817  H HD1  . PHE   A 1 55  ? -1.464  -25.786 -24.419 1   54.769 ? 67  PHE   A HD1  1 c 1 
ATOM   818  H HD2  . PHE   A 1 55  ? 0.76    -23.587 -26.976 1   56.752 ? 67  PHE   A HD2  1 c 1 
ATOM   819  H HE1  . PHE   A 1 55  ? -2.632  -26.697 -26.221 1   56.833 ? 67  PHE   A HE1  1 c 1 
ATOM   820  H HE2  . PHE   A 1 55  ? -0.413  -24.502 -28.782 1   60.396 ? 67  PHE   A HE2  1 c 1 
ATOM   821  H HZ   . PHE   A 1 55  ? -2.106  -26.056 -28.4   1   58.761 ? 67  PHE   A HZ   1 c 1 
ATOM   822  N N    . ASP   A 1 56  ? -2.522  -22.962 -23.29  1   31.943 ? 68  ASP   A N    1 ? 1 
ATOM   823  C CA   . ASP   A 1 56  ? -3.742  -23.193 -22.574 1   34.081 ? 68  ASP   A CA   1 ? 1 
ATOM   824  C C    . ASP   A 1 56  ? -4.704  -23.783 -23.591 1   36.344 ? 68  ASP   A C    1 ? 1 
ATOM   825  O O    . ASP   A 1 56  ? -4.905  -23.215 -24.654 1   37.668 ? 68  ASP   A O    1 ? 1 
ATOM   826  C CB   . ASP   A 1 56  ? -4.227  -21.865 -21.976 1   31.925 ? 68  ASP   A CB   1 ? 1 
ATOM   827  C CG   . ASP   A 1 56  ? -5.615  -21.914 -21.307 1   35.014 ? 68  ASP   A CG   1 ? 1 
ATOM   828  O OD1  . ASP   A 1 56  ? -5.917  -22.954 -20.686 1   35.678 ? 68  ASP   A OD1  1 ? 1 
ATOM   829  O OD2  . ASP   A 1 56  ? -6.434  -20.964 -21.47  1   35.418 ? 68  ASP   A OD2  1 ? 1 
ATOM   830  H H    . ASP   A 1 56  ? -2.587  -22.641 -24.144 1   32.688 ? 68  ASP   A H    1 c 1 
ATOM   831  H HA   . ASP   A 1 56  ? -3.575  -23.846 -21.858 1   35.603 ? 68  ASP   A HA   1 c 1 
ATOM   832  H HB2  . ASP   A 1 56  ? -3.576  -21.571 -21.305 1   32.819 ? 68  ASP   A HB2  1 c 1 
ATOM   833  H HB3  . ASP   A 1 56  ? -4.253  -21.191 -22.686 1   31.354 ? 68  ASP   A HB3  1 c 1 
ATOM   834  N N    . SER   A 1 57  ? -5.474  -24.77  -23.13  1   40.077 ? 69  SER   A N    1 ? 1 
ATOM   835  C CA   . SER   A 1 57  ? -6.432  -25.468 -23.959 1   44.831 ? 69  SER   A CA   1 ? 1 
ATOM   836  C C    . SER   A 1 57  ? -7.689  -25.866 -23.149 1   43.94  ? 69  SER   A C    1 ? 1 
ATOM   837  O O    . SER   A 1 57  ? -7.56   -26.567 -22.133 1   45.722 ? 69  SER   A O    1 ? 1 
ATOM   838  C CB   . SER   A 1 57  ? -5.791  -26.738 -24.543 1   49.322 ? 69  SER   A CB   1 ? 1 
ATOM   839  O OG   . SER   A 1 57  ? -6.74   -27.238 -25.465 1   56.123 ? 69  SER   A OG   1 ? 1 
ATOM   840  H H    . SER   A 1 57  ? -5.398  -25.018 -22.253 1   41.168 ? 69  SER   A H    1 c 1 
ATOM   841  H HA   . SER   A 1 57  ? -6.706  -24.874 -24.702 1   42.571 ? 69  SER   A HA   1 c 1 
ATOM   842  H HB2  . SER   A 1 57  ? -4.956  -26.519 -24.999 1   49.908 ? 69  SER   A HB2  1 c 1 
ATOM   843  H HB3  . SER   A 1 57  ? -5.624  -27.39  -23.838 1   51.834 ? 69  SER   A HB3  1 c 1 
ATOM   844  H HG   . SER   A 1 57  ? -6.406  -27.926 -25.864 0   30     ? 69  SER   A HG   1 c 1 
ATOM   845  N N    . SER   A 1 58  ? -8.864  -25.468 -23.646 1   42.135 ? 70  SER   A N    1 ? 1 
ATOM   846  C CA   . SER   A 1 58  ? -10.134 -25.972 -23.145 1   43.222 ? 70  SER   A CA   1 ? 1 
ATOM   847  C C    . SER   A 1 58  ? -10.176 -27.482 -23.372 1   47.005 ? 70  SER   A C    1 ? 1 
ATOM   848  O O    . SER   A 1 58  ? -10.674 -28.217 -22.547 1   52.296 ? 70  SER   A O    1 ? 1 
ATOM   849  C CB   . SER   A 1 58  ? -11.324 -25.304 -23.75  1   41.375 ? 70  SER   A CB   1 ? 1 
ATOM   850  O OG   . SER   A 1 58  ? -11.332 -25.607 -25.135 1   43.492 ? 70  SER   A OG   1 ? 1 
ATOM   851  H H    . SER   A 1 58  ? -8.875  -24.856 -24.324 1   40.927 ? 70  SER   A H    1 c 1 
ATOM   852  H HA   . SER   A 1 58  ? -10.157 -25.811 -22.167 1   43.476 ? 70  SER   A HA   1 c 1 
ATOM   853  H HB2  . SER   A 1 58  ? -12.14  -25.635 -23.33  1   43.086 ? 70  SER   A HB2  1 c 1 
ATOM   854  H HB3  . SER   A 1 58  ? -11.266 -24.339 -23.619 1   40.159 ? 70  SER   A HB3  1 c 1 
ATOM   855  H HG   . SER   A 1 58  ? -11.998 -25.201 -25.494 0   30     ? 70  SER   A HG   1 c 1 
ATOM   856  N N    . HIS   A 1 59  ? -9.613  -27.966 -24.473 1   48.53  ? 71  HIS   A N    1 ? 1 
ATOM   857  C CA   . HIS   A 1 59  ? -9.587  -29.424 -24.696 1   57.636 ? 71  HIS   A CA   1 ? 1 
ATOM   858  C C    . HIS   A 1 59  ? -8.961  -30.164 -23.523 1   60.624 ? 71  HIS   A C    1 ? 1 
ATOM   859  O O    . HIS   A 1 59  ? -9.395  -31.286 -23.207 1   67.514 ? 71  HIS   A O    1 ? 1 
ATOM   860  C CB   . HIS   A 1 59  ? -8.867  -29.758 -25.997 1   60.481 ? 71  HIS   A CB   1 ? 1 
ATOM   861  C CG   . HIS   A 1 59  ? -9.736  -29.432 -27.157 1   64.608 ? 71  HIS   A CG   1 ? 1 
ATOM   862  N ND1  . HIS   A 1 59  ? -9.442  -28.478 -28.106 1   64.088 ? 71  HIS   A ND1  1 ? 1 
ATOM   863  C CD2  . HIS   A 1 59  ? -10.868 -30.014 -27.529 1   66.645 ? 71  HIS   A CD2  1 ? 1 
ATOM   864  C CE1  . HIS   A 1 59  ? -10.429 -28.458 -29.004 1   61.154 ? 71  HIS   A CE1  1 ? 1 
ATOM   865  N NE2  . HIS   A 1 59  ? -11.289 -29.41  -28.685 1   69.466 ? 71  HIS   A NE2  1 ? 1 
ATOM   866  H H    . HIS   A 1 59  ? -9.251  -27.407 -25.098 1   48.123 ? 71  HIS   A H    1 c 1 
ATOM   867  H HA   . HIS   A 1 59  ? -10.526 -29.723 -24.776 1   57.961 ? 71  HIS   A HA   1 c 1 
ATOM   868  H HB2  . HIS   A 1 59  ? -8.039  -29.236 -26.053 1   59.622 ? 71  HIS   A HB2  1 c 1 
ATOM   869  H HB3  . HIS   A 1 59  ? -8.65   -30.715 -26.011 1   63.466 ? 71  HIS   A HB3  1 c 1 
ATOM   870  H HD1  . HIS   A 1 59  ? -8.785  -27.954 -28.065 0   30     ? 71  HIS   A HD1  1 c 1 
ATOM   871  H HD2  . HIS   A 1 59  ? -11.308 -30.713 -27.087 1   69.286 ? 71  HIS   A HD2  1 c 1 
ATOM   872  H HE1  . HIS   A 1 59  ? -10.479 -27.897 -29.759 1   62.243 ? 71  HIS   A HE1  1 c 1 
ATOM   873  H HE2  . HIS   A 1 59  ? -12.086 -29.548 -29.111 0   30     ? 71  HIS   A HE2  1 c 1 
ATOM   874  N N    . ASP   A 1 60  ? -7.982  -29.566 -22.832 1   63.594 ? 72  ASP   A N    1 ? 1 
ATOM   875  C CA   . ASP   A 1 60  ? -7.391  -30.241 -21.671 1   66.287 ? 72  ASP   A CA   1 ? 1 
ATOM   876  C C    . ASP   A 1 60  ? -8.406  -30.389 -20.541 1   65.702 ? 72  ASP   A C    1 ? 1 
ATOM   877  O O    . ASP   A 1 60  ? -8.164  -31.144 -19.628 1   73.767 ? 72  ASP   A O    1 ? 1 
ATOM   878  C CB   . ASP   A 1 60  ? -6.21   -29.498 -21.054 1   73.385 ? 72  ASP   A CB   1 ? 1 
ATOM   879  C CG   . ASP   A 1 60  ? -4.982  -29.357 -21.932 1   75.358 ? 72  ASP   A CG   1 ? 1 
ATOM   880  O OD1  . ASP   A 1 60  ? -4.823  -30.21  -22.816 1   87.794 ? 72  ASP   A OD1  1 ? 1 
ATOM   881  O OD2  . ASP   A 1 60  ? -4.22   -28.391 -21.732 1   71.74  ? 72  ASP   A OD2  1 ? 1 
ATOM   882  H H    . ASP   A 1 60  ? -7.666  -28.747 -23.084 1   60.232 ? 72  ASP   A H    1 c 1 
ATOM   883  H HA   . ASP   A 1 60  ? -7.092  -31.137 -21.948 1   69.569 ? 72  ASP   A HA   1 c 1 
ATOM   884  H HB2  . ASP   A 1 60  ? -6.505  -28.598 -20.8   1   69.607 ? 72  ASP   A HB2  1 c 1 
ATOM   885  H HB3  . ASP   A 1 60  ? -5.935  -29.962 -20.236 1   73.532 ? 72  ASP   A HB3  1 c 1 
ATOM   886  N N    . ARG   A 1 61  ? -9.511  -29.646 -20.55  1   63.086 ? 73  ARG   A N    1 ? 1 
ATOM   887  C CA   . ARG   A 1 61  ? -10.565 -29.821 -19.556 1   65.195 ? 73  ARG   A CA   1 ? 1 
ATOM   888  C C    . ARG   A 1 61  ? -11.706 -30.655 -20.154 1   63.668 ? 73  ARG   A C    1 ? 1 
ATOM   889  O O    . ARG   A 1 61  ? -12.717 -30.851 -19.494 1   60.733 ? 73  ARG   A O    1 ? 1 
ATOM   890  C CB   . ARG   A 1 61  ? -10.945 -28.417 -19.034 1   65.29  ? 73  ARG   A CB   1 ? 1 
ATOM   891  C CG   . ARG   A 1 61  ? -9.786  -27.837 -18.22  1   62.878 ? 73  ARG   A CG   1 ? 1 
ATOM   892  C CD   . ARG   A 1 61  ? -9.818  -26.394 -17.894 1   57.937 ? 73  ARG   A CD   1 ? 1 
ATOM   893  N NE   . ARG   A 1 61  ? -9.664  -25.521 -19.08  1   62.739 ? 73  ARG   A NE   1 ? 1 
ATOM   894  C CZ   . ARG   A 1 61  ? -8.546  -24.866 -19.464 1   54.313 ? 73  ARG   A CZ   1 ? 1 
ATOM   895  N NH1  . ARG   A 1 61  ? -7.367  -25.163 -18.978 1   60.661 ? 73  ARG   A NH1  1 ? 1 
ATOM   896  N NH2  . ARG   A 1 61  ? -8.583  -23.967 -20.39  1   50.144 ? 73  ARG   A NH2  1 ? 1 
ATOM   897  H H    . ARG   A 1 61  ? -9.605  -28.987 -21.175 1   61.282 ? 73  ARG   A H    1 c 1 
ATOM   898  H HA   . ARG   A 1 61  ? -10.189 -30.327 -18.791 1   66.901 ? 73  ARG   A HA   1 c 1 
ATOM   899  H HB2  . ARG   A 1 61  ? -11.145 -27.825 -19.79  1   62.224 ? 73  ARG   A HB2  1 c 1 
ATOM   900  H HB3  . ARG   A 1 61  ? -11.745 -28.479 -18.468 1   65.384 ? 73  ARG   A HB3  1 c 1 
ATOM   901  H HG2  . ARG   A 1 61  ? -9.727  -28.338 -17.377 1   64.824 ? 73  ARG   A HG2  1 c 1 
ATOM   902  H HG3  . ARG   A 1 61  ? -8.951  -28.02  -18.702 1   62.348 ? 73  ARG   A HG3  1 c 1 
ATOM   903  H HD2  . ARG   A 1 61  ? -10.669 -26.19  -17.455 1   60.567 ? 73  ARG   A HD2  1 c 1 
ATOM   904  H HD3  . ARG   A 1 61  ? -9.101  -26.199 -17.257 1   60.359 ? 73  ARG   A HD3  1 c 1 
ATOM   905  H HE   . ARG   A 1 61  ? -10.366 -25.417 -19.587 1   58.61  ? 73  ARG   A HE   1 c 1 
ATOM   906  H HH11 . ARG   A 1 61  ? -7.115  -26.009 -18.924 1   60.588 ? 73  ARG   A HH11 1 c 1 
ATOM   907  H HH12 . ARG   A 1 61  ? -6.828  -24.517 -18.707 1   57.941 ? 73  ARG   A HH12 1 c 1 
ATOM   908  H HH21 . ARG   A 1 61  ? -9.34   -23.544 -20.562 1   49.908 ? 73  ARG   A HH21 1 c 1 
ATOM   909  H HH22 . ARG   A 1 61  ? -7.852  -23.777 -20.85  1   49.894 ? 73  ARG   A HH22 1 c 1 
ATOM   910  N N    . ASN   A 1 62  ? -11.55  -31.068 -21.428 1   62.529 ? 74  ASN   A N    1 ? 1 
ATOM   911  C CA   . ASN   A 1 62  ? -12.525 -31.825 -22.225 1   68.877 ? 74  ASN   A CA   1 ? 1 
ATOM   912  C C    . ASN   A 1 62  ? -13.955 -31.263 -22.153 1   63.966 ? 74  ASN   A C    1 ? 1 
ATOM   913  O O    . ASN   A 1 62  ? -14.907 -32.031 -22.231 1   70.219 ? 74  ASN   A O    1 ? 1 
ATOM   914  C CB   . ASN   A 1 62  ? -12.407 -33.311 -21.862 1   72.161 ? 74  ASN   A CB   1 ? 1 
ATOM   915  C CG   . ASN   A 1 62  ? -12.96  -34.264 -22.914 1   74.369 ? 74  ASN   A CG   1 ? 1 
ATOM   916  O OD1  . ASN   A 1 62  ? -12.649 -34.189 -24.109 1   74.298 ? 74  ASN   A OD1  1 ? 1 
ATOM   917  N ND2  . ASN   A 1 62  ? -13.804 -35.182 -22.493 1   74.803 ? 74  ASN   A ND2  1 ? 1 
ATOM   918  H H    . ASN   A 1 62  ? -10.761 -30.861 -21.837 1   62.712 ? 74  ASN   A H    1 c 1 
ATOM   919  H HA   . ASN   A 1 62  ? -12.242 -31.748 -23.165 1   66.12  ? 74  ASN   A HA   1 c 1 
ATOM   920  H HB2  . ASN   A 1 62  ? -11.464 -33.523 -21.712 1   72.626 ? 74  ASN   A HB2  1 c 1 
ATOM   921  H HB3  . ASN   A 1 62  ? -12.881 -33.464 -21.02  1   73.617 ? 74  ASN   A HB3  1 c 1 
ATOM   922  H HD21 . ASN   A 1 62  ? -14.476 -35.437 -23.014 1   76.807 ? 74  ASN   A HD21 1 c 1 
ATOM   923  H HD22 . ASN   A 1 62  ? -13.698 -35.548 -21.692 1   77.477 ? 74  ASN   A HD22 1 c 1 
ATOM   924  N N    . GLU   A 1 63  ? -14.116 -29.944 -22.01  1   58.215 ? 75  GLU   A N    1 ? 1 
ATOM   925  C CA   . GLU   A 1 63  ? -15.437 -29.341 -21.804 1   59.464 ? 75  GLU   A CA   1 ? 1 
ATOM   926  C C    . GLU   A 1 63  ? -15.422 -27.924 -22.38  1   49.47  ? 75  GLU   A C    1 ? 1 
ATOM   927  O O    . GLU   A 1 63  ? -14.381 -27.278 -22.336 1   45.561 ? 75  GLU   A O    1 ? 1 
ATOM   928  C CB   . GLU   A 1 63  ? -15.923 -29.327 -20.345 1   65.038 ? 75  GLU   A CB   1 ? 1 
ATOM   929  C CG   . GLU   A 1 63  ? -15.323 -28.244 -19.448 1   66.243 ? 75  GLU   A CG   1 ? 1 
ATOM   930  C CD   . GLU   A 1 63  ? -15.884 -27.928 -18.047 1   74.908 ? 75  GLU   A CD   1 ? 1 
ATOM   931  O OE1  . GLU   A 1 63  ? -15.562 -26.852 -17.459 1   67.716 ? 75  GLU   A OE1  1 ? 1 
ATOM   932  O OE2  . GLU   A 1 63  ? -16.607 -28.769 -17.494 1   80.734 ? 75  GLU   A OE2  1 ? 1 
ATOM   933  H H    . GLU   A 1 63  ? -13.385 -29.396 -22.05  1   57.297 ? 75  GLU   A H    1 c 1 
ATOM   934  H HA   . GLU   A 1 63  ? -16.089 -29.873 -22.323 1   60.039 ? 75  GLU   A HA   1 c 1 
ATOM   935  H HB2  . GLU   A 1 63  ? -16.897 -29.218 -20.344 1   65.437 ? 75  GLU   A HB2  1 c 1 
ATOM   936  H HB3  . GLU   A 1 63  ? -15.724 -30.199 -19.944 1   67.259 ? 75  GLU   A HB3  1 c 1 
ATOM   937  H HG2  . GLU   A 1 63  ? -14.373 -28.456 -19.331 1   66.785 ? 75  GLU   A HG2  1 c 1 
ATOM   938  H HG3  . GLU   A 1 63  ? -15.341 -27.403 -19.95  1   64.297 ? 75  GLU   A HG3  1 c 1 
ATOM   939  N N    . PRO   A 1 64  ? -16.529 -27.43  -22.995 1   50.223 ? 76  PRO   A N    1 ? 1 
ATOM   940  C CA   . PRO   A 1 64  ? -16.509 -26.139 -23.656 1   44.359 ? 76  PRO   A CA   1 ? 1 
ATOM   941  C C    . PRO   A 1 64  ? -16.209 -25.025 -22.656 1   39.702 ? 76  PRO   A C    1 ? 1 
ATOM   942  O O    . PRO   A 1 64  ? -16.532 -25.147 -21.493 1   43.461 ? 76  PRO   A O    1 ? 1 
ATOM   943  C CB   . PRO   A 1 64  ? -17.902 -26.024 -24.283 1   45.855 ? 76  PRO   A CB   1 ? 1 
ATOM   944  C CG   . PRO   A 1 64  ? -18.435 -27.443 -24.28  1   52.804 ? 76  PRO   A CG   1 ? 1 
ATOM   945  C CD   . PRO   A 1 64  ? -17.854 -28.042 -23.053 1   51.875 ? 76  PRO   A CD   1 ? 1 
ATOM   946  H HA   . PRO   A 1 64  ? -15.828 -26.144 -24.36  1   43.586 ? 76  PRO   A HA   1 c 1 
ATOM   947  H HB2  . PRO   A 1 64  ? -18.475 -25.436 -23.753 1   46.042 ? 76  PRO   A HB2  1 c 1 
ATOM   948  H HB3  . PRO   A 1 64  ? -17.846 -25.674 -25.192 1   45.414 ? 76  PRO   A HB3  1 c 1 
ATOM   949  H HG2  . PRO   A 1 64  ? -19.413 -27.452 -24.241 1   52.564 ? 76  PRO   A HG2  1 c 1 
ATOM   950  H HG3  . PRO   A 1 64  ? -18.143 -27.928 -25.075 1   51.987 ? 76  PRO   A HG3  1 c 1 
ATOM   951  H HD2  . PRO   A 1 64  ? -18.378 -27.814 -22.26  1   53.145 ? 76  PRO   A HD2  1 c 1 
ATOM   952  H HD3  . PRO   A 1 64  ? -17.79  -29.012 -23.131 1   54.874 ? 76  PRO   A HD3  1 c 1 
ATOM   953  N N    . PHE   A 1 65  ? -15.594 -23.941 -23.127 1   36.164 ? 77  PHE   A N    1 ? 1 
ATOM   954  C CA   . PHE   A 1 65  ? -15.462 -22.725 -22.351 1   36.267 ? 77  PHE   A CA   1 ? 1 
ATOM   955  C C    . PHE   A 1 65  ? -16.666 -21.831 -22.716 1   37.058 ? 77  PHE   A C    1 ? 1 
ATOM   956  O O    . PHE   A 1 65  ? -17.011 -21.705 -23.875 1   33.591 ? 77  PHE   A O    1 ? 1 
ATOM   957  C CB   . PHE   A 1 65  ? -14.119 -22.063 -22.683 1   36.473 ? 77  PHE   A CB   1 ? 1 
ATOM   958  C CG   . PHE   A 1 65  ? -13.941 -20.707 -22.082 1   31.745 ? 77  PHE   A CG   1 ? 1 
ATOM   959  C CD1  . PHE   A 1 65  ? -13.58  -20.548 -20.756 1   33.836 ? 77  PHE   A CD1  1 ? 1 
ATOM   960  C CD2  . PHE   A 1 65  ? -14.255 -19.562 -22.8   1   32.024 ? 77  PHE   A CD2  1 ? 1 
ATOM   961  C CE1  . PHE   A 1 65  ? -13.417 -19.271 -20.214 1   33.987 ? 77  PHE   A CE1  1 ? 1 
ATOM   962  C CE2  . PHE   A 1 65  ? -14.136 -18.288 -22.231 1   30.956 ? 77  PHE   A CE2  1 ? 1 
ATOM   963  C CZ   . PHE   A 1 65  ? -13.68  -18.15  -20.964 1   33.789 ? 77  PHE   A CZ   1 ? 1 
ATOM   964  H H    . PHE   A 1 65  ? -15.244 -23.962 -23.971 1   36.187 ? 77  PHE   A H    1 c 1 
ATOM   965  H HA   . PHE   A 1 65  ? -15.49  -22.944 -21.383 1   37.724 ? 77  PHE   A HA   1 c 1 
ATOM   966  H HB2  . PHE   A 1 65  ? -13.396 -22.649 -22.366 1   35.804 ? 77  PHE   A HB2  1 c 1 
ATOM   967  H HB3  . PHE   A 1 65  ? -14.04  -21.99  -23.66  1   34.49  ? 77  PHE   A HB3  1 c 1 
ATOM   968  H HD1  . PHE   A 1 65  ? -13.353 -21.307 -20.242 1   35.117 ? 77  PHE   A HD1  1 c 1 
ATOM   969  H HD2  . PHE   A 1 65  ? -14.538 -19.644 -23.696 1   31.411 ? 77  PHE   A HD2  1 c 1 
ATOM   970  H HE1  . PHE   A 1 65  ? -13.132 -19.178 -19.318 1   34.605 ? 77  PHE   A HE1  1 c 1 
ATOM   971  H HE2  . PHE   A 1 65  ? -14.311 -17.522 -22.754 1   30.562 ? 77  PHE   A HE2  1 c 1 
ATOM   972  H HZ   . PHE   A 1 65  ? -13.611 -17.292 -20.575 1   32.385 ? 77  PHE   A HZ   1 c 1 
ATOM   973  N N    . VAL   A 1 66  ? -17.312 -21.286 -21.695 1   38.005 ? 78  VAL   A N    1 ? 1 
ATOM   974  C CA   . VAL   A 1 66  ? -18.639 -20.693 -21.805 1   39.159 ? 78  VAL   A CA   1 ? 1 
ATOM   975  C C    . VAL   A 1 66  ? -18.492 -19.272 -21.303 1   38.583 ? 78  VAL   A C    1 ? 1 
ATOM   976  O O    . VAL   A 1 66  ? -17.885 -19.06  -20.259 1   38.395 ? 78  VAL   A O    1 ? 1 
ATOM   977  C CB   . VAL   A 1 66  ? -19.708 -21.426 -20.99  1   42.972 ? 78  VAL   A CB   1 ? 1 
ATOM   978  C CG1  . VAL   A 1 66  ? -21.029 -20.687 -21.106 1   44.457 ? 78  VAL   A CG1  1 ? 1 
ATOM   979  C CG2  . VAL   A 1 66  ? -19.806 -22.918 -21.351 1   46.218 ? 78  VAL   A CG2  1 ? 1 
ATOM   980  H H    . VAL   A 1 66  ? -16.904 -21.278 -20.877 1   38.331 ? 78  VAL   A H    1 c 1 
ATOM   981  H HA   . VAL   A 1 66  ? -18.907 -20.678 -22.741 1   38.885 ? 78  VAL   A HA   1 c 1 
ATOM   982  H HB   . VAL   A 1 66  ? -19.43  -21.375 -20.045 1   43.717 ? 78  VAL   A HB   1 c 1 
ATOM   983  H HG11 . VAL   A 1 66  ? -21.17  -20.413 -22.028 1   43.223 ? 78  VAL   A HG11 1 c 1 
ATOM   984  H HG12 . VAL   A 1 66  ? -21.016 -19.902 -20.533 1   43.759 ? 78  VAL   A HG12 1 c 1 
ATOM   985  H HG13 . VAL   A 1 66  ? -21.751 -21.274 -20.83  1   46.347 ? 78  VAL   A HG13 1 c 1 
ATOM   986  H HG21 . VAL   A 1 66  ? -20.572 -23.312 -20.901 1   47.881 ? 78  VAL   A HG21 1 c 1 
ATOM   987  H HG22 . VAL   A 1 66  ? -18.995 -23.374 -21.068 1   45.913 ? 78  VAL   A HG22 1 c 1 
ATOM   988  H HG23 . VAL   A 1 66  ? -19.911 -23.013 -22.312 1   45.379 ? 78  VAL   A HG23 1 c 1 
ATOM   989  N N    . PHE   A 1 67  ? -18.98  -18.266 -22.078 1   35.732 ? 79  PHE   A N    1 ? 1 
ATOM   990  C CA   . PHE   A 1 67  ? -18.948 -16.903 -21.565 1   33.55  ? 79  PHE   A CA   1 ? 1 
ATOM   991  C C    . PHE   A 1 67  ? -20.05  -16.103 -22.238 1   34.272 ? 79  PHE   A C    1 ? 1 
ATOM   992  O O    . PHE   A 1 67  ? -20.631 -16.57  -23.22  1   32.366 ? 79  PHE   A O    1 ? 1 
ATOM   993  C CB   . PHE   A 1 67  ? -17.622 -16.176 -21.823 1   34.469 ? 79  PHE   A CB   1 ? 1 
ATOM   994  C CG   . PHE   A 1 67  ? -17.324 -15.845 -23.275 1   33.545 ? 79  PHE   A CG   1 ? 1 
ATOM   995  C CD1  . PHE   A 1 67  ? -16.971 -16.832 -24.173 1   32.072 ? 79  PHE   A CD1  1 ? 1 
ATOM   996  C CD2  . PHE   A 1 67  ? -17.453 -14.539 -23.746 1   31.901 ? 79  PHE   A CD2  1 ? 1 
ATOM   997  C CE1  . PHE   A 1 67  ? -16.659 -16.522 -25.502 1   33.157 ? 79  PHE   A CE1  1 ? 1 
ATOM   998  C CE2  . PHE   A 1 67  ? -17.094 -14.21  -25.046 1   31.95  ? 79  PHE   A CE2  1 ? 1 
ATOM   999  C CZ   . PHE   A 1 67  ? -16.726 -15.181 -25.928 1   30.6   ? 79  PHE   A CZ   1 ? 1 
ATOM   1000 H H    . PHE   A 1 67  ? -19.323 -18.434 -22.908 1   35.771 ? 79  PHE   A H    1 c 1 
ATOM   1001 H HA   . PHE   A 1 67  ? -19.118 -16.923 -20.586 1   35.566 ? 79  PHE   A HA   1 c 1 
ATOM   1002 H HB2  . PHE   A 1 67  ? -17.624 -15.341 -21.305 1   33.797 ? 79  PHE   A HB2  1 c 1 
ATOM   1003 H HB3  . PHE   A 1 67  ? -16.893 -16.735 -21.474 1   33.954 ? 79  PHE   A HB3  1 c 1 
ATOM   1004 H HD1  . PHE   A 1 67  ? -16.893 -17.723 -23.873 1   33.658 ? 79  PHE   A HD1  1 c 1 
ATOM   1005 H HD2  . PHE   A 1 67  ? -17.664 -13.85  -23.137 1   32.566 ? 79  PHE   A HD2  1 c 1 
ATOM   1006 H HE1  . PHE   A 1 67  ? -16.398 -17.202 -26.102 1   32.493 ? 79  PHE   A HE1  1 c 1 
ATOM   1007 H HE2  . PHE   A 1 67  ? -17.176 -13.317 -25.341 1   31.076 ? 79  PHE   A HE2  1 c 1 
ATOM   1008 H HZ   . PHE   A 1 67  ? -16.547 -14.961 -26.829 1   30.911 ? 79  PHE   A HZ   1 c 1 
ATOM   1009 N N    . SER   A 1 68  ? -20.391 -14.96  -21.613 1   37.021 ? 80  SER   A N    1 ? 1 
ATOM   1010 C CA   . SER   A 1 68  ? -21.444 -14.106 -22.146 1   36.444 ? 80  SER   A CA   1 ? 1 
ATOM   1011 C C    . SER   A 1 68  ? -20.728 -13.054 -22.997 1   30.446 ? 80  SER   A C    1 ? 1 
ATOM   1012 O O    . SER   A 1 68  ? -19.867 -12.347 -22.533 1   31.72  ? 80  SER   A O    1 ? 1 
ATOM   1013 C CB   . SER   A 1 68  ? -22.304 -13.452 -21.077 1   37.167 ? 80  SER   A CB   1 ? 1 
ATOM   1014 O OG   . SER   A 1 68  ? -23.051 -14.429 -20.394 1   41.257 ? 80  SER   A OG   1 ? 1 
ATOM   1015 H H    . SER   A 1 68  ? -19.96  -14.712 -20.846 1   36.192 ? 80  SER   A H    1 c 1 
ATOM   1016 H HA   . SER   A 1 68  ? -22.026 -14.649 -22.733 1   36.112 ? 80  SER   A HA   1 c 1 
ATOM   1017 H HB2  . SER   A 1 68  ? -21.732 -12.975 -20.445 1   37.576 ? 80  SER   A HB2  1 c 1 
ATOM   1018 H HB3  . SER   A 1 68  ? -22.909 -12.809 -21.494 1   38.192 ? 80  SER   A HB3  1 c 1 
ATOM   1019 H HG   . SER   A 1 68  ? -23.51  -14.074 -19.802 0   30     ? 80  SER   A HG   1 c 1 
ATOM   1020 N N    . LEU   A 1 69  ? -21.152 -12.881 -24.25  1   30.09  ? 81  LEU   A N    1 ? 1 
ATOM   1021 C CA   . LEU   A 1 69  ? -20.382 -12.042 -25.164 1   27.82  ? 81  LEU   A CA   1 ? 1 
ATOM   1022 C C    . LEU   A 1 69  ? -20.572 -10.554 -24.834 1   27.715 ? 81  LEU   A C    1 ? 1 
ATOM   1023 O O    . LEU   A 1 69  ? -21.665 -10.089 -24.5   1   32.431 ? 81  LEU   A O    1 ? 1 
ATOM   1024 C CB   . LEU   A 1 69  ? -20.874 -12.311 -26.576 1   33.815 ? 81  LEU   A CB   1 ? 1 
ATOM   1025 C CG   . LEU   A 1 69  ? -20.119 -11.583 -27.705 1   35.888 ? 81  LEU   A CG   1 ? 1 
ATOM   1026 C CD1  . LEU   A 1 69  ? -18.741 -12.12  -27.915 1   35.19  ? 81  LEU   A CD1  1 ? 1 
ATOM   1027 C CD2  . LEU   A 1 69  ? -21.012 -11.767 -28.943 1   43.027 ? 81  LEU   A CD2  1 ? 1 
ATOM   1028 H H    . LEU   A 1 69  ? -21.922 -13.279 -24.541 1   30.982 ? 81  LEU   A H    1 c 1 
ATOM   1029 H HA   . LEU   A 1 69  ? -19.424 -12.282 -25.093 1   27.877 ? 81  LEU   A HA   1 c 1 
ATOM   1030 H HB2  . LEU   A 1 69  ? -20.818 -13.281 -26.741 1   33.084 ? 81  LEU   A HB2  1 c 1 
ATOM   1031 H HB3  . LEU   A 1 69  ? -21.824 -12.057 -26.622 1   34.171 ? 81  LEU   A HB3  1 c 1 
ATOM   1032 H HG   . LEU   A 1 69  ? -20.065 -10.619 -27.487 1   36.362 ? 81  LEU   A HG   1 c 1 
ATOM   1033 H HD11 . LEU   A 1 69  ? -18.204 -11.957 -27.121 1   34.384 ? 81  LEU   A HD11 1 c 1 
ATOM   1034 H HD12 . LEU   A 1 69  ? -18.332 -11.677 -28.677 1   34.644 ? 81  LEU   A HD12 1 c 1 
ATOM   1035 H HD13 . LEU   A 1 69  ? -18.786 -13.076 -28.083 1   35.213 ? 81  LEU   A HD13 1 c 1 
ATOM   1036 H HD21 . LEU   A 1 69  ? -21.851 -11.297 -28.812 1   41.882 ? 81  LEU   A HD21 1 c 1 
ATOM   1037 H HD22 . LEU   A 1 69  ? -21.189 -12.713 -29.077 1   41.327 ? 81  LEU   A HD22 1 c 1 
ATOM   1038 H HD23 . LEU   A 1 69  ? -20.56  -11.409 -29.726 1   40.706 ? 81  LEU   A HD23 1 c 1 
ATOM   1039 N N    . GLY   A 1 70  ? -19.461 -9.812  -24.879 1   29.942 ? 82  GLY   A N    1 ? 1 
ATOM   1040 C CA   . GLY   A 1 70  ? -19.53  -8.373  -24.965 1   32.795 ? 82  GLY   A CA   1 ? 1 
ATOM   1041 C C    . GLY   A 1 70  ? -19.634 -7.715  -23.619 1   41.55  ? 82  GLY   A C    1 ? 1 
ATOM   1042 O O    . GLY   A 1 70  ? -19.916 -6.511  -23.599 1   44.411 ? 82  GLY   A O    1 ? 1 
ATOM   1043 H H    . GLY   A 1 70  ? -18.643 -10.218 -24.851 1   28.682 ? 82  GLY   A H    1 c 1 
ATOM   1044 H HA2  . GLY   A 1 70  ? -18.725 -8.042  -25.426 1   32.848 ? 82  GLY   A HA2  1 c 1 
ATOM   1045 H HA3  . GLY   A 1 70  ? -20.312 -8.121  -25.511 1   34.435 ? 82  GLY   A HA3  1 c 1 
ATOM   1046 N N    . LYS   A 1 71  ? -19.496 -8.547  -22.553 1   38.569 ? 83  LYS   A N    1 ? 1 
ATOM   1047 C CA   . LYS   A 1 71  ? -19.522 -8.086  -21.176 1   40.845 ? 83  LYS   A CA   1 ? 1 
ATOM   1048 C C    . LYS   A 1 71  ? -18.09  -7.895  -20.639 1   41.264 ? 83  LYS   A C    1 ? 1 
ATOM   1049 O O    . LYS   A 1 71  ? -17.877 -7.502  -19.504 1   43.718 ? 83  LYS   A O    1 ? 1 
ATOM   1050 C CB   . LYS   A 1 71  ? -20.478 -8.997  -20.392 1   39.043 ? 83  LYS   A CB   1 ? 1 
ATOM   1051 H H    . LYS   A 1 71  ? -19.365 -9.438  -22.704 1   38.66  ? 83  LYS   A H    1 c 1 
ATOM   1052 H HA   . LYS   A 1 71  ? -19.948 -7.192  -21.174 1   41.228 ? 83  LYS   A HA   1 c 1 
ATOM   1053 H HB2  . LYS   A 1 71  ? -19.897 -9.536  -19.78  0   30     ? 83  LYS   A HB2  1 c 1 
ATOM   1054 H HB3  . LYS   A 1 71  ? -21.39  -8.72   -20.527 0   30     ? 83  LYS   A HB3  1 c 1 
ATOM   1055 N N    . GLY   A 1 72  ? -17.056 -7.955  -21.475 1   43.247 ? 84  GLY   A N    1 ? 1 
ATOM   1056 C CA   . GLY   A 1 72  ? -15.69  -7.93   -20.924 1   45.549 ? 84  GLY   A CA   1 ? 1 
ATOM   1057 C C    . GLY   A 1 72  ? -15.369 -9.012  -19.854 1   48.845 ? 84  GLY   A C    1 ? 1 
ATOM   1058 O O    . GLY   A 1 72  ? -14.425 -8.817  -19.075 1   44.811 ? 84  GLY   A O    1 ? 1 
ATOM   1059 H H    . GLY   A 1 72  ? -17.178 -8.006  -22.379 1   42.243 ? 84  GLY   A H    1 c 1 
ATOM   1060 H HA2  . GLY   A 1 72  ? -15.056 -8.031  -21.672 1   44.301 ? 84  GLY   A HA2  1 c 1 
ATOM   1061 H HA3  . GLY   A 1 72  ? -15.533 -7.04   -20.529 1   46.13  ? 84  GLY   A HA3  1 c 1 
ATOM   1062 N N    . GLN   A 1 73  ? -16.114 -10.146 -19.849 1   41.957 ? 85  GLN   A N    1 ? 1 
ATOM   1063 C CA   . GLN   A 1 73  ? -15.779 -11.381 -19.127 1   37.535 ? 85  GLN   A CA   1 ? 1 
ATOM   1064 C C    . GLN   A 1 73  ? -14.488 -12.036 -19.653 1   36.695 ? 85  GLN   A C    1 ? 1 
ATOM   1065 O O    . GLN   A 1 73  ? -13.883 -12.919 -19.025 1   32.261 ? 85  GLN   A O    1 ? 1 
ATOM   1066 C CB   . GLN   A 1 73  ? -16.919 -12.397 -19.276 1   36.507 ? 85  GLN   A CB   1 ? 1 
ATOM   1067 C CG   . GLN   A 1 73  ? -18.069 -12.246 -18.29  1   41.37  ? 85  GLN   A CG   1 ? 1 
ATOM   1068 C CD   . GLN   A 1 73  ? -19.222 -13.175 -18.568 1   41.385 ? 85  GLN   A CD   1 ? 1 
ATOM   1069 O OE1  . GLN   A 1 73  ? -19.124 -14.156 -19.317 1   42.244 ? 85  GLN   A OE1  1 ? 1 
ATOM   1070 N NE2  . GLN   A 1 73  ? -20.367 -12.888 -17.939 1   48.02  ? 85  GLN   A NE2  1 ? 1 
ATOM   1071 H H    . GLN   A 1 73  ? -16.882 -10.144 -20.343 1   42.385 ? 85  GLN   A H    1 c 1 
ATOM   1072 H HA   . GLN   A 1 73  ? -15.66  -11.162 -18.168 1   39.225 ? 85  GLN   A HA   1 c 1 
ATOM   1073 H HB2  . GLN   A 1 73  ? -17.276 -12.33  -20.186 1   36.951 ? 85  GLN   A HB2  1 c 1 
ATOM   1074 H HB3  . GLN   A 1 73  ? -16.543 -13.297 -19.178 1   37.465 ? 85  GLN   A HB3  1 c 1 
ATOM   1075 H HG2  . GLN   A 1 73  ? -17.74  -12.417 -17.382 1   41.438 ? 85  GLN   A HG2  1 c 1 
ATOM   1076 H HG3  . GLN   A 1 73  ? -18.398 -11.322 -18.318 1   40.802 ? 85  GLN   A HG3  1 c 1 
ATOM   1077 H HE21 . GLN   A 1 73  ? -21.082 -13.396 -18.07  1   47.453 ? 85  GLN   A HE21 1 c 1 
ATOM   1078 H HE22 . GLN   A 1 73  ? -20.412 -12.191 -17.392 1   47.253 ? 85  GLN   A HE22 1 c 1 
ATOM   1079 N N    . VAL   A 1 74  ? -14.106 -11.624 -20.842 1   27.86  ? 86  VAL   A N    1 ? 1 
ATOM   1080 C CA   . VAL   A 1 74  ? -12.891 -12.109 -21.476 1   26.302 ? 86  VAL   A CA   1 ? 1 
ATOM   1081 C C    . VAL   A 1 74  ? -12.163 -10.913 -22.039 1   24.994 ? 86  VAL   A C    1 ? 1 
ATOM   1082 O O    . VAL   A 1 74  ? -12.719 -9.828  -22.013 1   28.323 ? 86  VAL   A O    1 ? 1 
ATOM   1083 C CB   . VAL   A 1 74  ? -13.239 -13.041 -22.643 1   28.716 ? 86  VAL   A CB   1 ? 1 
ATOM   1084 C CG1  . VAL   A 1 74  ? -13.839 -14.365 -22.172 1   30.724 ? 86  VAL   A CG1  1 ? 1 
ATOM   1085 C CG2  . VAL   A 1 74  ? -14.175 -12.356 -23.648 1   29.995 ? 86  VAL   A CG2  1 ? 1 
ATOM   1086 H H    . VAL   A 1 74  ? -14.623 -11.023 -21.296 1   29.483 ? 86  VAL   A H    1 c 1 
ATOM   1087 H HA   . VAL   A 1 74  ? -12.328 -12.572 -20.827 1   27.115 ? 86  VAL   A HA   1 c 1 
ATOM   1088 H HB   . VAL   A 1 74  ? -12.396 -13.247 -23.112 1   27.928 ? 86  VAL   A HB   1 c 1 
ATOM   1089 H HG11 . VAL   A 1 74  ? -14.648 -14.191 -21.662 1   31.222 ? 86  VAL   A HG11 1 c 1 
ATOM   1090 H HG12 . VAL   A 1 74  ? -13.197 -14.831 -21.611 1   30.676 ? 86  VAL   A HG12 1 c 1 
ATOM   1091 H HG13 . VAL   A 1 74  ? -14.055 -14.916 -22.943 1   30.339 ? 86  VAL   A HG13 1 c 1 
ATOM   1092 H HG21 . VAL   A 1 74  ? -14.313 -12.942 -24.411 1   29.399 ? 86  VAL   A HG21 1 c 1 
ATOM   1093 H HG22 . VAL   A 1 74  ? -13.781 -11.522 -23.95  1   29.095 ? 86  VAL   A HG22 1 c 1 
ATOM   1094 H HG23 . VAL   A 1 74  ? -15.031 -12.175 -23.225 1   30.25  ? 86  VAL   A HG23 1 c 1 
ATOM   1095 N N    . ILE   A 1 75  ? -10.942 -11.093 -22.519 1   26.03  ? 87  ILE   A N    1 ? 1 
ATOM   1096 C CA   . ILE   A 1 75  ? -10.192 -9.975  -23.086 1   25.52  ? 87  ILE   A CA   1 ? 1 
ATOM   1097 C C    . ILE   A 1 75  ? -10.945 -9.387  -24.304 1   25.668 ? 87  ILE   A C    1 ? 1 
ATOM   1098 O O    . ILE   A 1 75  ? -11.787 -10.032 -24.933 1   26.104 ? 87  ILE   A O    1 ? 1 
ATOM   1099 C CB   . ILE   A 1 75  ? -8.765  -10.403 -23.452 1   25.469 ? 87  ILE   A CB   1 ? 1 
ATOM   1100 C CG1  . ILE   A 1 75  ? -8.783  -11.559 -24.507 1   25.055 ? 87  ILE   A CG1  1 ? 1 
ATOM   1101 C CG2  . ILE   A 1 75  ? -7.914  -10.673 -22.183 1   26.821 ? 87  ILE   A CG2  1 ? 1 
ATOM   1102 C CD1  . ILE   A 1 75  ? -7.355  -11.818 -25.028 1   26.008 ? 87  ILE   A CD1  1 ? 1 
ATOM   1103 H H    . ILE   A 1 75  ? -10.556 -11.92  -22.482 1   25.504 ? 87  ILE   A H    1 c 1 
ATOM   1104 H HA   . ILE   A 1 75  ? -10.131 -9.279  -22.404 1   26.212 ? 87  ILE   A HA   1 c 1 
ATOM   1105 H HB   . ILE   A 1 75  ? -8.357  -9.635  -23.898 1   25.526 ? 87  ILE   A HB   1 c 1 
ATOM   1106 H HG12 . ILE   A 1 75  ? -9.133  -12.375 -24.096 1   25.46  ? 87  ILE   A HG12 1 c 1 
ATOM   1107 H HG13 . ILE   A 1 75  ? -9.363  -11.313 -25.256 1   25.161 ? 87  ILE   A HG13 1 c 1 
ATOM   1108 H HG21 . ILE   A 1 75  ? -6.974  -10.722 -22.425 1   26.501 ? 87  ILE   A HG21 1 c 1 
ATOM   1109 H HG22 . ILE   A 1 75  ? -8.188  -11.514 -21.78  1   26.781 ? 87  ILE   A HG22 1 c 1 
ATOM   1110 H HG23 . ILE   A 1 75  ? -8.044  -9.953  -21.543 1   27.097 ? 87  ILE   A HG23 1 c 1 
ATOM   1111 H HD11 . ILE   A 1 75  ? -6.969  -10.983 -25.354 1   25.731 ? 87  ILE   A HD11 1 c 1 
ATOM   1112 H HD12 . ILE   A 1 75  ? -7.388  -12.466 -25.757 1   25.697 ? 87  ILE   A HD12 1 c 1 
ATOM   1113 H HD13 . ILE   A 1 75  ? -6.8    -12.171 -24.307 1   25.95  ? 87  ILE   A HD13 1 c 1 
ATOM   1114 N N    . LYS   A 1 76  ? -10.671 -8.115  -24.582 1   29.287 ? 88  LYS   A N    1 ? 1 
ATOM   1115 C CA   . LYS   A 1 76  ? -11.452 -7.302  -25.54  1   22.992 ? 88  LYS   A CA   1 ? 1 
ATOM   1116 C C    . LYS   A 1 76  ? -11.376 -7.97   -26.893 1   22.289 ? 88  LYS   A C    1 ? 1 
ATOM   1117 O O    . LYS   A 1 76  ? -12.341 -8.031  -27.637 1   25.523 ? 88  LYS   A O    1 ? 1 
ATOM   1118 C CB   . LYS   A 1 76  ? -11.001 -5.842  -25.483 1   26.876 ? 88  LYS   A CB   1 ? 1 
ATOM   1119 H H    . LYS   A 1 76  ? -9.959  -7.724  -24.162 1   26.982 ? 88  LYS   A H    1 c 1 
ATOM   1120 H HA   . LYS   A 1 76  ? -12.399 -7.324  -25.248 1   24.957 ? 88  LYS   A HA   1 c 1 
ATOM   1121 H HB2  . LYS   A 1 76  ? -10.077 -5.781  -25.496 0   30     ? 88  LYS   A HB2  1 c 1 
ATOM   1122 H HB3  . LYS   A 1 76  ? -11.87  -5.291  -25.483 0   30     ? 88  LYS   A HB3  1 c 1 
ATOM   1123 N N    . ALA   A 1 77  ? -10.231 -8.598  -27.204 1   25.84  ? 89  ALA   A N    1 ? 1 
ATOM   1124 C CA   . ALA   A 1 77  ? -10.006 -9.307  -28.485 1   26.186 ? 89  ALA   A CA   1 ? 1 
ATOM   1125 C C    . ALA   A 1 77  ? -10.972 -10.463 -28.724 1   26.318 ? 89  ALA   A C    1 ? 1 
ATOM   1126 O O    . ALA   A 1 77  ? -11.446 -10.663 -29.823 1   27.41  ? 89  ALA   A O    1 ? 1 
ATOM   1127 C CB   . ALA   A 1 77  ? -8.619  -9.789  -28.658 1   27.299 ? 89  ALA   A CB   1 ? 1 
ATOM   1128 H H    . ALA   A 1 77  ? -9.544  -8.576  -26.602 1   24.797 ? 89  ALA   A H    1 c 1 
ATOM   1129 H HA   . ALA   A 1 77  ? -10.178 -8.642  -29.207 1   26.863 ? 89  ALA   A HA   1 c 1 
ATOM   1130 H HB1  . ALA   A 1 77  ? -8.021  -9.031  -28.769 1   27.194 ? 89  ALA   A HB1  1 c 1 
ATOM   1131 H HB2  . ALA   A 1 77  ? -8.35   -10.298 -27.875 1   26.596 ? 89  ALA   A HB2  1 c 1 
ATOM   1132 H HB3  . ALA   A 1 77  ? -8.565  -10.357 -29.445 1   27.109 ? 89  ALA   A HB3  1 c 1 
ATOM   1133 N N    . TRP   A 1 78  ? -11.409 -11.102 -27.633 1   26.507 ? 90  TRP   A N    1 ? 1 
ATOM   1134 C CA   . TRP   A 1 78  ? -12.414 -12.145 -27.775 1   26.077 ? 90  TRP   A CA   1 ? 1 
ATOM   1135 C C    . TRP   A 1 78  ? -13.809 -11.587 -27.993 1   27.213 ? 90  TRP   A C    1 ? 1 
ATOM   1136 O O    . TRP   A 1 78  ? -14.565 -12.178 -28.791 1   29.053 ? 90  TRP   A O    1 ? 1 
ATOM   1137 C CB   . TRP   A 1 78  ? -12.356 -13.111 -26.591 1   23.886 ? 90  TRP   A CB   1 ? 1 
ATOM   1138 C CG   . TRP   A 1 78  ? -11.39  -14.246 -26.687 1   25.491 ? 90  TRP   A CG   1 ? 1 
ATOM   1139 C CD1  . TRP   A 1 78  ? -10.07  -14.287 -27.041 1   26.699 ? 90  TRP   A CD1  1 ? 1 
ATOM   1140 C CD2  . TRP   A 1 78  ? -11.776 -15.616 -26.431 1   26.517 ? 90  TRP   A CD2  1 ? 1 
ATOM   1141 N NE1  . TRP   A 1 78  ? -9.605  -15.579 -27.035 1   25.428 ? 90  TRP   A NE1  1 ? 1 
ATOM   1142 C CE2  . TRP   A 1 78  ? -10.637 -16.419 -26.686 1   25.265 ? 90  TRP   A CE2  1 ? 1 
ATOM   1143 C CE3  . TRP   A 1 78  ? -12.986 -16.223 -26.062 1   26.755 ? 90  TRP   A CE3  1 ? 1 
ATOM   1144 C CZ2  . TRP   A 1 78  ? -10.681 -17.797 -26.514 1   30.045 ? 90  TRP   A CZ2  1 ? 1 
ATOM   1145 C CZ3  . TRP   A 1 78  ? -13.022 -17.611 -25.958 1   29.109 ? 90  TRP   A CZ3  1 ? 1 
ATOM   1146 C CH2  . TRP   A 1 78  ? -11.867 -18.367 -26.139 1   31.207 ? 90  TRP   A CH2  1 ? 1 
ATOM   1147 H H    . TRP   A 1 78  ? -11.081 -10.896 -26.805 1   26.01  ? 90  TRP   A H    1 c 1 
ATOM   1148 H HA   . TRP   A 1 78  ? -12.178 -12.671 -28.586 1   26.086 ? 90  TRP   A HA   1 c 1 
ATOM   1149 H HB2  . TRP   A 1 78  ? -12.149 -12.594 -25.784 1   24.639 ? 90  TRP   A HB2  1 c 1 
ATOM   1150 H HB3  . TRP   A 1 78  ? -13.255 -13.48  -26.456 1   25.245 ? 90  TRP   A HB3  1 c 1 
ATOM   1151 H HD1  . TRP   A 1 78  ? -9.548  -13.535 -27.269 1   25.619 ? 90  TRP   A HD1  1 c 1 
ATOM   1152 H HE1  . TRP   A 1 78  ? -8.796  -15.822 -27.223 1   25.813 ? 90  TRP   A HE1  1 c 1 
ATOM   1153 H HE3  . TRP   A 1 78  ? -13.76  -15.706 -25.918 1   27.253 ? 90  TRP   A HE3  1 c 1 
ATOM   1154 H HZ2  . TRP   A 1 78  ? -9.918  -18.326 -26.673 1   29.539 ? 90  TRP   A HZ2  1 c 1 
ATOM   1155 H HZ3  . TRP   A 1 78  ? -13.815 -18.035 -25.673 1   30.018 ? 90  TRP   A HZ3  1 c 1 
ATOM   1156 H HH2  . TRP   A 1 78  ? -11.914 -19.302 -26.051 1   31.597 ? 90  TRP   A HH2  1 c 1 
ATOM   1157 N N    . ASP   A 1 79  ? -14.173 -10.501 -27.28  1   27.054 ? 91  ASP   A N    1 ? 1 
ATOM   1158 C CA   . ASP   A 1 79  ? -15.465 -9.885  -27.454 1   24.652 ? 91  ASP   A CA   1 ? 1 
ATOM   1159 C C    . ASP   A 1 79  ? -15.59  -9.452  -28.936 1   29.641 ? 91  ASP   A C    1 ? 1 
ATOM   1160 O O    . ASP   A 1 79  ? -16.659 -9.636  -29.531 1   31.248 ? 91  ASP   A O    1 ? 1 
ATOM   1161 C CB   . ASP   A 1 79  ? -15.734 -8.765  -26.482 1   30.155 ? 91  ASP   A CB   1 ? 1 
ATOM   1162 C CG   . ASP   A 1 79  ? -16.183 -9.238  -25.087 1   28.777 ? 91  ASP   A CG   1 ? 1 
ATOM   1163 O OD1  . ASP   A 1 79  ? -16.702 -10.346 -25.014 1   25.841 ? 91  ASP   A OD1  1 ? 1 
ATOM   1164 O OD2  . ASP   A 1 79  ? -16.136 -8.409  -24.178 1   28.677 ? 91  ASP   A OD2  1 ? 1 
ATOM   1165 H H    . ASP   A 1 79  ? -13.593 -10.147 -26.668 1   26.119 ? 91  ASP   A H    1 c 1 
ATOM   1166 H HA   . ASP   A 1 79  ? -16.147 -10.574 -27.29  1   27.297 ? 91  ASP   A HA   1 c 1 
ATOM   1167 H HB2  . ASP   A 1 79  ? -14.921 -8.228  -26.379 1   28.18  ? 91  ASP   A HB2  1 c 1 
ATOM   1168 H HB3  . ASP   A 1 79  ? -16.435 -8.186  -26.849 1   29.189 ? 91  ASP   A HB3  1 c 1 
ATOM   1169 N N    . ILE   A 1 80  ? -14.501 -8.878  -29.479 1   28.808 ? 92  ILE   A N    1 ? 1 
ATOM   1170 C CA   . ILE   A 1 80  ? -14.454 -8.444  -30.882 1   29.081 ? 92  ILE   A CA   1 ? 1 
ATOM   1171 C C    . ILE   A 1 80  ? -14.47  -9.625  -31.869 1   28.451 ? 92  ILE   A C    1 ? 1 
ATOM   1172 O O    . ILE   A 1 80  ? -15.294 -9.699  -32.785 1   28.399 ? 92  ILE   A O    1 ? 1 
ATOM   1173 C CB   . ILE   A 1 80  ? -13.214 -7.546  -31.12  1   32.729 ? 92  ILE   A CB   1 ? 1 
ATOM   1174 C CG1  . ILE   A 1 80  ? -13.329 -6.16   -30.443 1   33.424 ? 92  ILE   A CG1  1 ? 1 
ATOM   1175 C CG2  . ILE   A 1 80  ? -12.996 -7.381  -32.634 1   34.801 ? 92  ILE   A CG2  1 ? 1 
ATOM   1176 C CD1  . ILE   A 1 80  ? -11.946 -5.512  -30.327 1   34.156 ? 92  ILE   A CD1  1 ? 1 
ATOM   1177 H H    . ILE   A 1 80  ? -13.763 -8.745  -28.957 1   28.35  ? 92  ILE   A H    1 c 1 
ATOM   1178 H HA   . ILE   A 1 80  ? -15.249 -7.902  -31.051 1   30.373 ? 92  ILE   A HA   1 c 1 
ATOM   1179 H HB   . ILE   A 1 80  ? -12.434 -8.003  -30.747 1   31.527 ? 92  ILE   A HB   1 c 1 
ATOM   1180 H HG12 . ILE   A 1 80  ? -13.916 -5.585  -30.975 1   34.492 ? 92  ILE   A HG12 1 c 1 
ATOM   1181 H HG13 . ILE   A 1 80  ? -13.718 -6.263  -29.551 1   33.207 ? 92  ILE   A HG13 1 c 1 
ATOM   1182 H HG21 . ILE   A 1 80  ? -12.424 -6.614  -32.801 1   34.939 ? 92  ILE   A HG21 1 c 1 
ATOM   1183 H HG22 . ILE   A 1 80  ? -13.851 -7.243  -33.075 1   35.197 ? 92  ILE   A HG22 1 c 1 
ATOM   1184 H HG23 . ILE   A 1 80  ? -12.572 -8.178  -32.993 1   34.277 ? 92  ILE   A HG23 1 c 1 
ATOM   1185 H HD11 . ILE   A 1 80  ? -11.317 -6.147  -29.936 1   33.127 ? 92  ILE   A HD11 1 c 1 
ATOM   1186 H HD12 . ILE   A 1 80  ? -12.006 -4.724  -29.755 1   34.364 ? 92  ILE   A HD12 1 c 1 
ATOM   1187 H HD13 . ILE   A 1 80  ? -11.63  -5.245  -31.21  1   34.615 ? 92  ILE   A HD13 1 c 1 
ATOM   1188 N N    . GLY   A 1 81  ? -13.639 -10.63  -31.643 1   26.266 ? 93  GLY   A N    1 ? 1 
ATOM   1189 C CA   . GLY   A 1 81  ? -13.391 -11.718 -32.557 1   28.479 ? 93  GLY   A CA   1 ? 1 
ATOM   1190 C C    . GLY   A 1 81  ? -14.509 -12.723 -32.604 1   28.011 ? 93  GLY   A C    1 ? 1 
ATOM   1191 O O    . GLY   A 1 81  ? -14.949 -13.098 -33.674 1   28.04  ? 93  GLY   A O    1 ? 1 
ATOM   1192 H H    . GLY   A 1 81  ? -13.187 -10.635 -30.849 1   26.334 ? 93  GLY   A H    1 c 1 
ATOM   1193 H HA2  . GLY   A 1 81  ? -13.251 -11.348 -33.459 1   28.579 ? 93  GLY   A HA2  1 c 1 
ATOM   1194 H HA3  . GLY   A 1 81  ? -12.558 -12.173 -32.288 1   27.393 ? 93  GLY   A HA3  1 c 1 
ATOM   1195 N N    . VAL   A 1 82  ? -14.943 -13.21  -31.41  1   29.164 ? 94  VAL   A N    1 ? 1 
ATOM   1196 C CA   . VAL   A 1 82  ? -15.992 -14.21  -31.376 1   29.158 ? 94  VAL   A CA   1 ? 1 
ATOM   1197 C C    . VAL   A 1 82  ? -17.31  -13.646 -31.907 1   33.831 ? 94  VAL   A C    1 ? 1 
ATOM   1198 O O    . VAL   A 1 82  ? -18.078 -14.382 -32.531 1   35.125 ? 94  VAL   A O    1 ? 1 
ATOM   1199 C CB   . VAL   A 1 82  ? -16.103 -14.817 -29.97  1   32.193 ? 94  VAL   A CB   1 ? 1 
ATOM   1200 C CG1  . VAL   A 1 82  ? -17.217 -15.876 -29.883 1   38.845 ? 94  VAL   A CG1  1 ? 1 
ATOM   1201 C CG2  . VAL   A 1 82  ? -14.816 -15.446 -29.613 1   30.386 ? 94  VAL   A CG2  1 ? 1 
ATOM   1202 H H    . VAL   A 1 82  ? -14.587 -12.899 -30.628 1   27.858 ? 94  VAL   A H    1 c 1 
ATOM   1203 H HA   . VAL   A 1 82  ? -15.723 -14.929 -31.979 1   31.13  ? 94  VAL   A HA   1 c 1 
ATOM   1204 H HB   . VAL   A 1 82  ? -16.297 -14.087 -29.337 1   31.713 ? 94  VAL   A HB   1 c 1 
ATOM   1205 H HG11 . VAL   A 1 82  ? -17.188 -16.443 -30.671 1   37.877 ? 94  VAL   A HG11 1 c 1 
ATOM   1206 H HG12 . VAL   A 1 82  ? -18.082 -15.435 -29.833 1   37.579 ? 94  VAL   A HG12 1 c 1 
ATOM   1207 H HG13 . VAL   A 1 82  ? -17.088 -16.421 -29.088 1   37.1   ? 94  VAL   A HG13 1 c 1 
ATOM   1208 H HG21 . VAL   A 1 82  ? -14.916 -15.947 -28.786 1   30.892 ? 94  VAL   A HG21 1 c 1 
ATOM   1209 H HG22 . VAL   A 1 82  ? -14.139 -14.76  -29.491 1   29.965 ? 94  VAL   A HG22 1 c 1 
ATOM   1210 H HG23 . VAL   A 1 82  ? -14.54  -16.049 -30.324 1   31.269 ? 94  VAL   A HG23 1 c 1 
ATOM   1211 N N    . ALA   A 1 83  ? -17.521 -12.331 -31.744 1   31.058 ? 95  ALA   A N    1 ? 1 
ATOM   1212 C CA   . ALA   A 1 83  ? -18.666 -11.665 -32.347 1   30.92  ? 95  ALA   A CA   1 ? 1 
ATOM   1213 C C    . ALA   A 1 83  ? -18.724 -11.819 -33.86  1   37.903 ? 95  ALA   A C    1 ? 1 
ATOM   1214 O O    . ALA   A 1 83  ? -19.821 -11.721 -34.356 1   39.487 ? 95  ALA   A O    1 ? 1 
ATOM   1215 C CB   . ALA   A 1 83  ? -18.716 -10.198 -32.043 1   33.693 ? 95  ALA   A CB   1 ? 1 
ATOM   1216 H H    . ALA   A 1 83  ? -16.943 -11.839 -31.236 1   30.477 ? 95  ALA   A H    1 c 1 
ATOM   1217 H HA   . ALA   A 1 83  ? -19.487 -12.089 -31.972 1   33.25  ? 95  ALA   A HA   1 c 1 
ATOM   1218 H HB1  . ALA   A 1 83  ? -18.763 -10.065 -31.082 1   32.297 ? 95  ALA   A HB1  1 c 1 
ATOM   1219 H HB2  . ALA   A 1 83  ? -17.918 -9.765  -32.389 1   32.423 ? 95  ALA   A HB2  1 c 1 
ATOM   1220 H HB3  . ALA   A 1 83  ? -19.501 -9.804  -32.46  1   33.89  ? 95  ALA   A HB3  1 c 1 
ATOM   1221 N N    . THR   A 1 84  ? -17.58  -12.031 -34.547 1   33.402 ? 96  THR   A N    1 ? 1 
ATOM   1222 C CA   . THR   A 1 84  ? -17.566 -12.134 -36.009 1   34.816 ? 96  THR   A CA   1 ? 1 
ATOM   1223 C C    . THR   A 1 84  ? -17.779 -13.568 -36.497 1   35.921 ? 96  THR   A C    1 ? 1 
ATOM   1224 O O    . THR   A 1 84  ? -17.907 -13.758 -37.688 1   38.412 ? 96  THR   A O    1 ? 1 
ATOM   1225 C CB   . THR   A 1 84  ? -16.241 -11.652 -36.621 1   37.019 ? 96  THR   A CB   1 ? 1 
ATOM   1226 O OG1  . THR   A 1 84  ? -15.164 -12.582 -36.308 1   34.138 ? 96  THR   A OG1  1 ? 1 
ATOM   1227 C CG2  . THR   A 1 84  ? -15.903 -10.238 -36.199 1   36.198 ? 96  THR   A CG2  1 ? 1 
ATOM   1228 H H    . THR   A 1 84  ? -16.789 -12.097 -34.095 1   33.283 ? 96  THR   A H    1 c 1 
ATOM   1229 H HA   . THR   A 1 84  ? -18.29  -11.573 -36.363 1   36.236 ? 96  THR   A HA   1 c 1 
ATOM   1230 H HB   . THR   A 1 84  ? -16.354 -11.633 -37.602 1   37.61  ? 96  THR   A HB   1 c 1 
ATOM   1231 H HG1  . THR   A 1 84  ? -15.12  -12.635 -35.428 0   30     ? 96  THR   A HG1  1 c 1 
ATOM   1232 H HG21 . THR   A 1 84  ? -15.127 -9.928  -36.696 1   36.558 ? 96  THR   A HG21 1 c 1 
ATOM   1233 H HG22 . THR   A 1 84  ? -15.704 -10.222 -35.248 1   34.92  ? 96  THR   A HG22 1 c 1 
ATOM   1234 H HG23 . THR   A 1 84  ? -16.658 -9.655  -36.382 1   36.991 ? 96  THR   A HG23 1 c 1 
ATOM   1235 N N    . MET   A 1 85  ? -17.948 -14.531 -35.618 1   31.753 ? 97  MET   A N    1 ? 1 
ATOM   1236 C CA   . MET   A 1 85  ? -17.872 -15.939 -35.958 1   36.141 ? 97  MET   A CA   1 ? 1 
ATOM   1237 C C    . MET   A 1 85  ? -19.26  -16.556 -36.096 1   37.595 ? 97  MET   A C    1 ? 1 
ATOM   1238 O O    . MET   A 1 85  ? -20.194 -16.183 -35.383 1   37.96  ? 97  MET   A O    1 ? 1 
ATOM   1239 C CB   . MET   A 1 85  ? -17.066 -16.718 -34.897 1   35.036 ? 97  MET   A CB   1 ? 1 
ATOM   1240 C CG   . MET   A 1 85  ? -15.58  -16.327 -34.837 1   34.443 ? 97  MET   A CG   1 ? 1 
ATOM   1241 S SD   . MET   A 1 85  ? -14.682 -17.292 -33.574 1   33.418 ? 97  MET   A SD   1 ? 1 
ATOM   1242 C CE   . MET   A 1 85  ? -14.763 -18.987 -34.155 1   35.318 ? 97  MET   A CE   1 ? 1 
ATOM   1243 H H    . MET   A 1 85  ? -18.127 -14.309 -34.75  1   32.387 ? 97  MET   A H    1 c 1 
ATOM   1244 H HA   . MET   A 1 85  ? -17.411 -16.018 -36.83  1   36.349 ? 97  MET   A HA   1 c 1 
ATOM   1245 H HB2  . MET   A 1 85  ? -17.473 -16.562 -34.018 1   34.424 ? 97  MET   A HB2  1 c 1 
ATOM   1246 H HB3  . MET   A 1 85  ? -17.136 -17.677 -35.093 1   36.223 ? 97  MET   A HB3  1 c 1 
ATOM   1247 H HG2  . MET   A 1 85  ? -15.166 -16.48  -35.707 1   35.234 ? 97  MET   A HG2  1 c 1 
ATOM   1248 H HG3  . MET   A 1 85  ? -15.501 -15.377 -34.626 1   33.376 ? 97  MET   A HG3  1 c 1 
ATOM   1249 H HE1  . MET   A 1 85  ? -14.299 -19.568 -33.524 1   35.196 ? 97  MET   A HE1  1 c 1 
ATOM   1250 H HE2  . MET   A 1 85  ? -15.695 -19.264 -34.224 1   36.257 ? 97  MET   A HE2  1 c 1 
ATOM   1251 H HE3  . MET   A 1 85  ? -14.338 -19.051 -35.03  1   36.246 ? 97  MET   A HE3  1 c 1 
ATOM   1252 N N    . LYS   A 1 86  ? -19.376 -17.493 -37.065 1   41.583 ? 98  LYS   A N    1 ? 1 
ATOM   1253 C CA   . LYS   A 1 86  ? -20.543 -18.329 -37.28  1   46.387 ? 98  LYS   A CA   1 ? 1 
ATOM   1254 C C    . LYS   A 1 86  ? -20.488 -19.624 -36.477 1   41.812 ? 98  LYS   A C    1 ? 1 
ATOM   1255 O O    . LYS   A 1 86  ? -19.411 -20.086 -36.104 1   44.007 ? 98  LYS   A O    1 ? 1 
ATOM   1256 C CB   . LYS   A 1 86  ? -20.599 -18.525 -38.796 1   50.338 ? 98  LYS   A CB   1 ? 1 
ATOM   1257 C CG   . LYS   A 1 86  ? -20.823 -17.212 -39.559 1   55.129 ? 98  LYS   A CG   1 ? 1 
ATOM   1258 C CD   . LYS   A 1 86  ? -20.887 -17.391 -41.074 1   64.256 ? 98  LYS   A CD   1 ? 1 
ATOM   1259 C CE   . LYS   A 1 86  ? -20.96  -16.046 -41.723 1   65.329 ? 98  LYS   A CE   1 ? 1 
ATOM   1260 N NZ   . LYS   A 1 86  ? -21.209 -16.313 -43.132 1   79.768 ? 98  LYS   A NZ   1 ? 1 
ATOM   1261 H H    . LYS   A 1 86  ? -18.663 -17.611 -37.625 1   42.036 ? 98  LYS   A H    1 c 1 
ATOM   1262 H HA   . LYS   A 1 86  ? -21.346 -17.82  -37.001 1   45.04  ? 98  LYS   A HA   1 c 1 
ATOM   1263 H HB2  . LYS   A 1 86  ? -19.759 -18.929 -39.101 1   51.077 ? 98  LYS   A HB2  1 c 1 
ATOM   1264 H HB3  . LYS   A 1 86  ? -21.328 -19.144 -39.012 1   52.713 ? 98  LYS   A HB3  1 c 1 
ATOM   1265 H HG2  . LYS   A 1 86  ? -21.663 -16.809 -39.249 1   55.287 ? 98  LYS   A HG2  1 c 1 
ATOM   1266 H HG3  . LYS   A 1 86  ? -20.093 -16.592 -39.342 1   53.703 ? 98  LYS   A HG3  1 c 1 
ATOM   1267 H HD2  . LYS   A 1 86  ? -20.083 -17.862 -41.385 1   63.332 ? 98  LYS   A HD2  1 c 1 
ATOM   1268 H HD3  . LYS   A 1 86  ? -21.678 -17.916 -41.314 1   64.847 ? 98  LYS   A HD3  1 c 1 
ATOM   1269 H HE2  . LYS   A 1 86  ? -21.69  -15.519 -41.35  1   67.144 ? 98  LYS   A HE2  1 c 1 
ATOM   1270 H HE3  . LYS   A 1 86  ? -20.121 -15.563 -41.619 1   66.215 ? 98  LYS   A HE3  1 c 1 
ATOM   1271 H HZ1  . LYS   A 1 86  ? -22.048 -16.639 -43.24  1   77.224 ? 98  LYS   A HZ1  1 c 1 
ATOM   1272 H HZ2  . LYS   A 1 86  ? -20.612 -16.917 -43.449 1   76.528 ? 98  LYS   A HZ2  1 c 1 
ATOM   1273 H HZ3  . LYS   A 1 86  ? -21.129 -15.545 -43.605 1   76.455 ? 98  LYS   A HZ3  1 c 1 
ATOM   1274 N N    . LYS   A 1 87  ? -21.666 -20.181 -36.143 1   44.195 ? 99  LYS   A N    1 ? 1 
ATOM   1275 C CA   . LYS   A 1 87  ? -21.713 -21.49  -35.49  1   45.646 ? 99  LYS   A CA   1 ? 1 
ATOM   1276 C C    . LYS   A 1 87  ? -20.938 -22.5   -36.335 1   49.305 ? 99  LYS   A C    1 ? 1 
ATOM   1277 O O    . LYS   A 1 87  ? -21.15  -22.554 -37.531 1   51.892 ? 99  LYS   A O    1 ? 1 
ATOM   1278 C CB   . LYS   A 1 87  ? -23.141 -22.035 -35.301 1   49.931 ? 99  LYS   A CB   1 ? 1 
ATOM   1279 H H    . LYS   A 1 87  ? -22.447 -19.742 -36.323 1   44.718 ? 99  LYS   A H    1 c 1 
ATOM   1280 H HA   . LYS   A 1 87  ? -21.278 -21.412 -34.604 1   44.729 ? 99  LYS   A HA   1 c 1 
ATOM   1281 H HB2  . LYS   A 1 87  ? -23.048 -22.946 -34.856 0   30     ? 99  LYS   A HB2  1 c 1 
ATOM   1282 H HB3  . LYS   A 1 87  ? -23.739 -21.357 -35.527 0   30     ? 99  LYS   A HB3  1 c 1 
ATOM   1283 N N    . GLY   A 1 88  ? -20.045 -23.29  -35.709 1   48.932 ? 100 GLY   A N    1 ? 1 
ATOM   1284 C CA   . GLY   A 1 88  ? -19.212 -24.274 -36.416 1   52.961 ? 100 GLY   A CA   1 ? 1 
ATOM   1285 C C    . GLY   A 1 88  ? -17.892 -23.715 -36.954 1   46.848 ? 100 GLY   A C    1 ? 1 
ATOM   1286 O O    . GLY   A 1 88  ? -17.029 -24.499 -37.344 1   49.282 ? 100 GLY   A O    1 ? 1 
ATOM   1287 H H    . GLY   A 1 88  ? -19.952 -23.215 -34.803 1   48.143 ? 100 GLY   A H    1 c 1 
ATOM   1288 H HA2  . GLY   A 1 88  ? -19.015 -25.016 -35.797 1   51.735 ? 100 GLY   A HA2  1 c 1 
ATOM   1289 H HA3  . GLY   A 1 88  ? -19.732 -24.647 -37.166 1   53.47  ? 100 GLY   A HA3  1 c 1 
ATOM   1290 N N    . GLU   A 1 89  ? -17.725 -22.385 -36.942 1   45.172 ? 101 GLU   A N    1 ? 1 
ATOM   1291 C CA   . GLU   A 1 89  ? -16.534 -21.74  -37.473 1   45.866 ? 101 GLU   A CA   1 ? 1 
ATOM   1292 C C    . GLU   A 1 89  ? -15.313 -22.048 -36.585 1   41.526 ? 101 GLU   A C    1 ? 1 
ATOM   1293 O O    . GLU   A 1 89  ? -15.401 -22.05  -35.365 1   40.051 ? 101 GLU   A O    1 ? 1 
ATOM   1294 C CB   . GLU   A 1 89  ? -16.735 -20.216 -37.58  1   47.311 ? 101 GLU   A CB   1 ? 1 
ATOM   1295 C CG   . GLU   A 1 89  ? -15.63  -19.482 -38.339 1   44.106 ? 101 GLU   A CG   1 ? 1 
ATOM   1296 C CD   . GLU   A 1 89  ? -15.883 -17.985 -38.438 1   45.57  ? 101 GLU   A CD   1 ? 1 
ATOM   1297 O OE1  . GLU   A 1 89  ? -17.001 -17.595 -38.877 1   41.142 ? 101 GLU   A OE1  1 ? 1 
ATOM   1298 O OE2  . GLU   A 1 89  ? -14.967 -17.208 -38.114 1   44.132 ? 101 GLU   A OE2  1 ? 1 
ATOM   1299 H H    . GLU   A 1 89  ? -18.378 -21.857 -36.583 1   44.664 ? 101 GLU   A H    1 c 1 
ATOM   1300 H HA   . GLU   A 1 89  ? -16.368 -22.101 -38.379 1   47.352 ? 101 GLU   A HA   1 c 1 
ATOM   1301 H HB2  . GLU   A 1 89  ? -17.589 -20.044 -38.028 1   46.867 ? 101 GLU   A HB2  1 c 1 
ATOM   1302 H HB3  . GLU   A 1 89  ? -16.794 -19.843 -36.675 1   44.136 ? 101 GLU   A HB3  1 c 1 
ATOM   1303 H HG2  . GLU   A 1 89  ? -14.772 -19.627 -37.886 1   44.387 ? 101 GLU   A HG2  1 c 1 
ATOM   1304 H HG3  . GLU   A 1 89  ? -15.561 -19.85  -39.245 1   47.28  ? 101 GLU   A HG3  1 c 1 
ATOM   1305 N N    . ILE   A 1 90  ? -14.158 -22.257 -37.219 1   43.068 ? 102 ILE   A N    1 ? 1 
ATOM   1306 C CA   . ILE   A 1 90  ? -12.877 -22.237 -36.51  1   40.216 ? 102 ILE   A CA   1 ? 1 
ATOM   1307 C C    . ILE   A 1 90  ? -12.108 -21.061 -37.068 1   38.303 ? 102 ILE   A C    1 ? 1 
ATOM   1308 O O    . ILE   A 1 90  ? -11.997 -20.927 -38.277 1   40.764 ? 102 ILE   A O    1 ? 1 
ATOM   1309 C CB   . ILE   A 1 90  ? -12.054 -23.536 -36.609 1   42.819 ? 102 ILE   A CB   1 ? 1 
ATOM   1310 C CG1  . ILE   A 1 90  ? -12.889 -24.749 -36.19  1   51.311 ? 102 ILE   A CG1  1 ? 1 
ATOM   1311 C CG2  . ILE   A 1 90  ? -10.789 -23.443 -35.756 1   41.859 ? 102 ILE   A CG2  1 ? 1 
ATOM   1312 C CD1  . ILE   A 1 90  ? -12.251 -26.12  -36.349 1   50.709 ? 102 ILE   A CD1  1 ? 1 
ATOM   1313 H H    . ILE   A 1 90  ? -14.16  -22.42  -38.118 1   44.246 ? 102 ILE   A H    1 c 1 
ATOM   1314 H HA   . ILE   A 1 90  ? -13.055 -22.068 -35.569 1   38.922 ? 102 ILE   A HA   1 c 1 
ATOM   1315 H HB   . ILE   A 1 90  ? -11.787 -23.657 -37.542 1   45.514 ? 102 ILE   A HB   1 c 1 
ATOM   1316 H HG12 . ILE   A 1 90  ? -13.132 -24.635 -35.249 1   47.412 ? 102 ILE   A HG12 1 c 1 
ATOM   1317 H HG13 . ILE   A 1 90  ? -13.72  -24.74  -36.707 1   49.805 ? 102 ILE   A HG13 1 c 1 
ATOM   1318 H HG21 . ILE   A 1 90  ? -10.268 -24.257 -35.854 1   43.257 ? 102 ILE   A HG21 1 c 1 
ATOM   1319 H HG22 . ILE   A 1 90  ? -11.034 -23.329 -34.822 1   40.336 ? 102 ILE   A HG22 1 c 1 
ATOM   1320 H HG23 . ILE   A 1 90  ? -10.254 -22.685 -36.043 1   40.813 ? 102 ILE   A HG23 1 c 1 
ATOM   1321 H HD11 . ILE   A 1 90  ? -12.009 -26.261 -37.284 1   53.283 ? 102 ILE   A HD11 1 c 1 
ATOM   1322 H HD12 . ILE   A 1 90  ? -12.885 -26.807 -36.071 1   52.913 ? 102 ILE   A HD12 1 c 1 
ATOM   1323 H HD13 . ILE   A 1 90  ? -11.449 -26.179 -35.795 1   50.826 ? 102 ILE   A HD13 1 c 1 
ATOM   1324 N N    . ALA   A 1 91  ? -11.515 -20.26  -36.192 1   35.316 ? 103 ALA   A N    1 ? 1 
ATOM   1325 C CA   . ALA   A 1 91  ? -10.75  -19.098 -36.579 1   34.901 ? 103 ALA   A CA   1 ? 1 
ATOM   1326 C C    . ALA   A 1 91  ? -9.428  -19.036 -35.795 1   36.435 ? 103 ALA   A C    1 ? 1 
ATOM   1327 O O    . ALA   A 1 91  ? -9.33   -19.502 -34.649 1   36.18  ? 103 ALA   A O    1 ? 1 
ATOM   1328 C CB   . ALA   A 1 91  ? -11.578 -17.833 -36.348 1   34.428 ? 103 ALA   A CB   1 ? 1 
ATOM   1329 H H    . ALA   A 1 91  ? -11.59  -20.45  -35.301 1   34.659 ? 103 ALA   A H    1 c 1 
ATOM   1330 H HA   . ALA   A 1 91  ? -10.534 -19.174 -37.548 1   37.037 ? 103 ALA   A HA   1 c 1 
ATOM   1331 H HB1  . ALA   A 1 91  ? -12.393 -17.874 -36.877 1   35.045 ? 103 ALA   A HB1  1 c 1 
ATOM   1332 H HB2  . ALA   A 1 91  ? -11.81  -17.762 -35.407 1   32.821 ? 103 ALA   A HB2  1 c 1 
ATOM   1333 H HB3  . ALA   A 1 91  ? -11.064 -17.052 -36.612 1   33.772 ? 103 ALA   A HB3  1 c 1 
ATOM   1334 N N    . HIS   A 1 92  ? -8.437  -18.398 -36.406 1   32.497 ? 104 HIS   A N    1 ? 1 
ATOM   1335 C CA   . HIS   A 1 92  ? -7.221  -17.983 -35.711 1   32.519 ? 104 HIS   A CA   1 ? 1 
ATOM   1336 C C    . HIS   A 1 92  ? -7.265  -16.468 -35.418 1   32.935 ? 104 HIS   A C    1 ? 1 
ATOM   1337 O O    . HIS   A 1 92  ? -7.671  -15.678 -36.301 1   33.801 ? 104 HIS   A O    1 ? 1 
ATOM   1338 C CB   . HIS   A 1 92  ? -6.033  -18.325 -36.596 1   33.46  ? 104 HIS   A CB   1 ? 1 
ATOM   1339 C CG   . HIS   A 1 92  ? -5.665  -19.79  -36.642 1   34.202 ? 104 HIS   A CG   1 ? 1 
ATOM   1340 N ND1  . HIS   A 1 92  ? -4.679  -20.323 -37.408 1   36.517 ? 104 HIS   A ND1  1 ? 1 
ATOM   1341 C CD2  . HIS   A 1 92  ? -6.158  -20.786 -35.906 1   33     ? 104 HIS   A CD2  1 ? 1 
ATOM   1342 C CE1  . HIS   A 1 92  ? -4.593  -21.627 -37.193 1   39.811 ? 104 HIS   A CE1  1 ? 1 
ATOM   1343 N NE2  . HIS   A 1 92  ? -5.503  -21.909 -36.239 1   33.215 ? 104 HIS   A NE2  1 ? 1 
ATOM   1344 H H    . HIS   A 1 92  ? -8.516  -18.206 -37.296 1   34.854 ? 104 HIS   A H    1 c 1 
ATOM   1345 H HA   . HIS   A 1 92  ? -7.152  -18.469 -34.856 1   31.82  ? 104 HIS   A HA   1 c 1 
ATOM   1346 H HB2  . HIS   A 1 92  ? -6.226  -18.02  -37.509 1   34.562 ? 104 HIS   A HB2  1 c 1 
ATOM   1347 H HB3  . HIS   A 1 92  ? -5.254  -17.816 -36.282 1   32.878 ? 104 HIS   A HB3  1 c 1 
ATOM   1348 H HD1  . HIS   A 1 92  ? -4.186  -19.853 -38.005 0   30     ? 104 HIS   A HD1  1 c 1 
ATOM   1349 H HD2  . HIS   A 1 92  ? -6.842  -20.725 -35.269 1   31.644 ? 104 HIS   A HD2  1 c 1 
ATOM   1350 H HE1  . HIS   A 1 92  ? -4.001  -22.234 -37.6   1   40.009 ? 104 HIS   A HE1  1 c 1 
ATOM   1351 H HE2  . HIS   A 1 92  ? -5.614  -22.693 -35.923 0   30     ? 104 HIS   A HE2  1 c 1 
ATOM   1352 N N    . LEU   A 1 93  ? -6.903  -16.082 -34.216 1   30.39  ? 105 LEU   A N    1 ? 1 
ATOM   1353 C CA   . LEU   A 1 93  ? -6.776  -14.688 -33.815 1   30.331 ? 105 LEU   A CA   1 ? 1 
ATOM   1354 C C    . LEU   A 1 93  ? -5.332  -14.469 -33.365 1   31.208 ? 105 LEU   A C    1 ? 1 
ATOM   1355 O O    . LEU   A 1 93  ? -4.795  -15.172 -32.495 1   31.321 ? 105 LEU   A O    1 ? 1 
ATOM   1356 C CB   . LEU   A 1 93  ? -7.738  -14.329 -32.681 1   27.1   ? 105 LEU   A CB   1 ? 1 
ATOM   1357 C CG   . LEU   A 1 93  ? -9.239  -14.406 -32.919 1   27.722 ? 105 LEU   A CG   1 ? 1 
ATOM   1358 C CD1  . LEU   A 1 93  ? -9.925  -13.947 -31.695 1   28.04  ? 105 LEU   A CD1  1 ? 1 
ATOM   1359 C CD2  . LEU   A 1 93  ? -9.652  -13.574 -34.134 1   29.592 ? 105 LEU   A CD2  1 ? 1 
ATOM   1360 H H    . LEU   A 1 93  ? -6.718  -16.724 -33.593 1   30.613 ? 105 LEU   A H    1 c 1 
ATOM   1361 H HA   . LEU   A 1 93  ? -6.964  -14.116 -34.597 1   30.562 ? 105 LEU   A HA   1 c 1 
ATOM   1362 H HB2  . LEU   A 1 93  ? -7.524  -14.909 -31.914 1   27.234 ? 105 LEU   A HB2  1 c 1 
ATOM   1363 H HB3  . LEU   A 1 93  ? -7.525  -13.412 -32.39  1   27.083 ? 105 LEU   A HB3  1 c 1 
ATOM   1364 H HG   . LEU   A 1 93  ? -9.484  -15.353 -33.085 1   28.688 ? 105 LEU   A HG   1 c 1 
ATOM   1365 H HD11 . LEU   A 1 93  ? -9.652  -14.499 -30.943 1   27.21  ? 105 LEU   A HD11 1 c 1 
ATOM   1366 H HD12 . LEU   A 1 93  ? -10.887 -14.019 -31.816 1   27.744 ? 105 LEU   A HD12 1 c 1 
ATOM   1367 H HD13 . LEU   A 1 93  ? -9.69   -13.021 -31.519 1   27.132 ? 105 LEU   A HD13 1 c 1 
ATOM   1368 H HD21 . LEU   A 1 93  ? -9.331  -14.001 -34.945 1   30.46  ? 105 LEU   A HD21 1 c 1 
ATOM   1369 H HD22 . LEU   A 1 93  ? -9.268  -12.684 -34.064 1   29.04  ? 105 LEU   A HD22 1 c 1 
ATOM   1370 H HD23 . LEU   A 1 93  ? -10.621 -13.506 -34.166 1   29.343 ? 105 LEU   A HD23 1 c 1 
ATOM   1371 N N    . LEU   A 1 94  ? -4.757  -13.383 -33.855 1   28.173 ? 106 LEU   A N    1 ? 1 
ATOM   1372 C CA   . LEU   A 1 94  ? -3.551  -12.798 -33.339 1   28.499 ? 106 LEU   A CA   1 ? 1 
ATOM   1373 C C    . LEU   A 1 94  ? -3.868  -11.419 -32.792 1   28.607 ? 106 LEU   A C    1 ? 1 
ATOM   1374 O O    . LEU   A 1 94  ? -4.527  -10.581 -33.446 1   30.03  ? 106 LEU   A O    1 ? 1 
ATOM   1375 C CB   . LEU   A 1 94  ? -2.498  -12.727 -34.428 1   30.057 ? 106 LEU   A CB   1 ? 1 
ATOM   1376 C CG   . LEU   A 1 94  ? -1.073  -12.345 -33.969 1   34.753 ? 106 LEU   A CG   1 ? 1 
ATOM   1377 C CD1  . LEU   A 1 94  ? -0.387  -13.384 -33.071 1   35.169 ? 106 LEU   A CD1  1 ? 1 
ATOM   1378 C CD2  . LEU   A 1 94  ? -0.284  -12.07  -35.242 1   37.845 ? 106 LEU   A CD2  1 ? 1 
ATOM   1379 H H    . LEU   A 1 94  ? -5.151  -12.977 -34.573 1   29.625 ? 106 LEU   A H    1 c 1 
ATOM   1380 H HA   . LEU   A 1 94  ? -3.217  -13.366 -32.601 1   28.159 ? 106 LEU   A HA   1 c 1 
ATOM   1381 H HB2  . LEU   A 1 94  ? -2.456  -13.606 -34.871 1   31.86  ? 106 LEU   A HB2  1 c 1 
ATOM   1382 H HB3  . LEU   A 1 94  ? -2.795  -12.071 -35.1   1   31.66  ? 106 LEU   A HB3  1 c 1 
ATOM   1383 H HG   . LEU   A 1 94  ? -1.131  -11.496 -33.46  1   33.435 ? 106 LEU   A HG   1 c 1 
ATOM   1384 H HD11 . LEU   A 1 94  ? -0.883  -13.473 -32.24  1   33.62  ? 106 LEU   A HD11 1 c 1 
ATOM   1385 H HD12 . LEU   A 1 94  ? 0.521   -13.096 -32.876 1   35.563 ? 106 LEU   A HD12 1 c 1 
ATOM   1386 H HD13 . LEU   A 1 94  ? -0.363  -14.242 -33.526 1   35.794 ? 106 LEU   A HD13 1 c 1 
ATOM   1387 H HD21 . LEU   A 1 94  ? -0.648  -11.287 -35.688 1   37.889 ? 106 LEU   A HD21 1 c 1 
ATOM   1388 H HD22 . LEU   A 1 94  ? -0.345  -12.837 -35.836 1   38.525 ? 106 LEU   A HD22 1 c 1 
ATOM   1389 H HD23 . LEU   A 1 94  ? 0.648   -11.909 -35.018 1   38.257 ? 106 LEU   A HD23 1 c 1 
ATOM   1390 N N    . ILE   A 1 95  ? -3.39   -11.196 -31.576 1   26.281 ? 107 ILE   A N    1 ? 1 
ATOM   1391 C CA   . ILE   A 1 95  ? -3.87   -10.156 -30.678 1   25.836 ? 107 ILE   A CA   1 ? 1 
ATOM   1392 C C    . ILE   A 1 95  ? -2.726  -9.328  -30.074 1   27.465 ? 107 ILE   A C    1 ? 1 
ATOM   1393 O O    . ILE   A 1 95  ? -1.845  -9.802  -29.332 1   27.32  ? 107 ILE   A O    1 ? 1 
ATOM   1394 C CB   . ILE   A 1 95  ? -4.76   -10.75  -29.553 1   24.861 ? 107 ILE   A CB   1 ? 1 
ATOM   1395 C CG1  . ILE   A 1 95  ? -5.908  -11.557 -30.123 1   24.557 ? 107 ILE   A CG1  1 ? 1 
ATOM   1396 C CG2  . ILE   A 1 95  ? -5.2    -9.612  -28.693 1   26.148 ? 107 ILE   A CG2  1 ? 1 
ATOM   1397 C CD1  . ILE   A 1 95  ? -6.503  -12.51  -29.086 1   27.144 ? 107 ILE   A CD1  1 ? 1 
ATOM   1398 H H    . ILE   A 1 95  ? -2.706  -11.726 -31.282 1   26.913 ? 107 ILE   A H    1 c 1 
ATOM   1399 H HA   . ILE   A 1 95  ? -4.429  -9.553  -31.201 1   26.286 ? 107 ILE   A HA   1 c 1 
ATOM   1400 H HB   . ILE   A 1 95  ? -4.207  -11.348 -29.011 1   25.065 ? 107 ILE   A HB   1 c 1 
ATOM   1401 H HG12 . ILE   A 1 95  ? -6.604  -10.946 -30.438 1   25.29  ? 107 ILE   A HG12 1 c 1 
ATOM   1402 H HG13 . ILE   A 1 95  ? -5.59   -12.079 -30.887 1   25.921 ? 107 ILE   A HG13 1 c 1 
ATOM   1403 H HG21 . ILE   A 1 95  ? -5.934  -9.898  -28.125 1   25.123 ? 107 ILE   A HG21 1 c 1 
ATOM   1404 H HG22 . ILE   A 1 95  ? -5.496  -8.873  -29.252 1   25.982 ? 107 ILE   A HG22 1 c 1 
ATOM   1405 H HG23 . ILE   A 1 95  ? -4.462  -9.318  -28.135 1   25.809 ? 107 ILE   A HG23 1 c 1 
ATOM   1406 H HD11 . ILE   A 1 95  ? -5.803  -13.102 -28.753 1   26.288 ? 107 ILE   A HD11 1 c 1 
ATOM   1407 H HD12 . ILE   A 1 95  ? -7.209  -13.043 -29.499 1   26.265 ? 107 ILE   A HD12 1 c 1 
ATOM   1408 H HD13 . ILE   A 1 95  ? -6.875  -12.001 -28.342 1   25.707 ? 107 ILE   A HD13 1 c 1 
ATOM   1409 N N    . LYS   A 1 96  ? -2.672  -8.022  -30.452 1   28.848 ? 108 LYS   A N    1 ? 1 
ATOM   1410 C CA   . LYS   A 1 96  ? -1.729  -7.12   -29.798 1   26.896 ? 108 LYS   A CA   1 ? 1 
ATOM   1411 C C    . LYS   A 1 96  ? -2.105  -6.85   -28.336 1   27.405 ? 108 LYS   A C    1 ? 1 
ATOM   1412 O O    . LYS   A 1 96  ? -3.227  -6.953  -27.912 1   25.852 ? 108 LYS   A O    1 ? 1 
ATOM   1413 C CB   . LYS   A 1 96  ? -1.655  -5.783  -30.57  1   31.157 ? 108 LYS   A CB   1 ? 1 
ATOM   1414 C CG   . LYS   A 1 96  ? -1.043  -5.925  -31.962 1   34.275 ? 108 LYS   A CG   1 ? 1 
ATOM   1415 C CD   . LYS   A 1 96  ? -0.915  -4.604  -32.751 1   39.986 ? 108 LYS   A CD   1 ? 1 
ATOM   1416 C CE   . LYS   A 1 96  ? -0.329  -4.741  -34.162 1   42.896 ? 108 LYS   A CE   1 ? 1 
ATOM   1417 N NZ   . LYS   A 1 96  ? -0.539  -3.41   -34.75  1   52.07  ? 108 LYS   A NZ   1 ? 1 
ATOM   1418 H H    . LYS   A 1 96  ? -3.218  -7.703  -31.112 1   28.365 ? 108 LYS   A H    1 c 1 
ATOM   1419 H HA   . LYS   A 1 96  ? -0.835  -7.543  -29.825 1   28.671 ? 108 LYS   A HA   1 c 1 
ATOM   1420 H HB2  . LYS   A 1 96  ? -2.56   -5.417  -30.661 1   30.543 ? 108 LYS   A HB2  1 c 1 
ATOM   1421 H HB3  . LYS   A 1 96  ? -1.122  -5.14   -30.057 1   31.497 ? 108 LYS   A HB3  1 c 1 
ATOM   1422 H HG2  . LYS   A 1 96  ? -0.151  -6.325  -31.869 1   35.101 ? 108 LYS   A HG2  1 c 1 
ATOM   1423 H HG3  . LYS   A 1 96  ? -1.595  -6.549  -32.479 1   34.29  ? 108 LYS   A HG3  1 c 1 
ATOM   1424 H HD2  . LYS   A 1 96  ? -1.804  -4.194  -32.816 1   39.055 ? 108 LYS   A HD2  1 c 1 
ATOM   1425 H HD3  . LYS   A 1 96  ? -0.349  -3.99   -32.234 1   39.945 ? 108 LYS   A HD3  1 c 1 
ATOM   1426 H HE2  . LYS   A 1 96  ? 0.622   -4.949  -34.131 1   44.987 ? 108 LYS   A HE2  1 c 1 
ATOM   1427 H HE3  . LYS   A 1 96  ? -0.8    -5.417  -34.679 1   43.832 ? 108 LYS   A HE3  1 c 1 
ATOM   1428 H HZ1  . LYS   A 1 96  ? -0.117  -2.779  -34.253 1   50.019 ? 108 LYS   A HZ1  1 c 1 
ATOM   1429 H HZ2  . LYS   A 1 96  ? -1.424  -3.218  -34.786 1   48.886 ? 108 LYS   A HZ2  1 c 1 
ATOM   1430 H HZ3  . LYS   A 1 96  ? -0.201  -3.395  -35.59  1   51.122 ? 108 LYS   A HZ3  1 c 1 
ATOM   1431 N N    . PRO   A 1 97  ? -1.118  -6.454  -27.497 1   28.761 ? 109 PRO   A N    1 ? 1 
ATOM   1432 C CA   . PRO   A 1 97  ? -1.344  -6.303  -26.084 1   31.61  ? 109 PRO   A CA   1 ? 1 
ATOM   1433 C C    . PRO   A 1 97  ? -2.508  -5.412  -25.655 1   31.916 ? 109 PRO   A C    1 ? 1 
ATOM   1434 O O    . PRO   A 1 97  ? -3.189  -5.711  -24.658 1   28.903 ? 109 PRO   A O    1 ? 1 
ATOM   1435 C CB   . PRO   A 1 97  ? 0       -5.77   -25.584 1   33.592 ? 109 PRO   A CB   1 ? 1 
ATOM   1436 C CG   . PRO   A 1 97  ? 0.99    -5.811  -26.697 1   33.743 ? 109 PRO   A CG   1 ? 1 
ATOM   1437 C CD   . PRO   A 1 97  ? 0.283   -6.251  -27.922 1   34.466 ? 109 PRO   A CD   1 ? 1 
ATOM   1438 H HA   . PRO   A 1 97  ? -1.48   -7.193  -25.697 1   30.371 ? 109 PRO   A HA   1 c 1 
ATOM   1439 H HB2  . PRO   A 1 97  ? -0.099  -4.854  -25.259 1   33.972 ? 109 PRO   A HB2  1 c 1 
ATOM   1440 H HB3  . PRO   A 1 97  ? 0.317   -6.31   -24.835 1   33.09  ? 109 PRO   A HB3  1 c 1 
ATOM   1441 H HG2  . PRO   A 1 97  ? 1.381   -4.925  -26.837 1   35.439 ? 109 PRO   A HG2  1 c 1 
ATOM   1442 H HG3  . PRO   A 1 97  ? 1.712   -6.434  -26.487 1   34.416 ? 109 PRO   A HG3  1 c 1 
ATOM   1443 H HD2  . PRO   A 1 97  ? 0.337   -5.569  -28.617 1   33.938 ? 109 PRO   A HD2  1 c 1 
ATOM   1444 H HD3  . PRO   A 1 97  ? 0.663   -7.084  -28.262 1   32.976 ? 109 PRO   A HD3  1 c 1 
ATOM   1445 N N    . GLU   A 1 98  ? -2.766  -4.349  -26.458 1   31.387 ? 110 GLU   A N    1 ? 1 
ATOM   1446 C CA   . GLU   A 1 98  ? -3.813  -3.386  -26.21  1   32.866 ? 110 GLU   A CA   1 ? 1 
ATOM   1447 C C    . GLU   A 1 98  ? -5.17   -4.083  -26.084 1   29.199 ? 110 GLU   A C    1 ? 1 
ATOM   1448 O O    . GLU   A 1 98  ? -6.007  -3.502  -25.439 1   30.481 ? 110 GLU   A O    1 ? 1 
ATOM   1449 C CB   . GLU   A 1 98  ? -3.842  -2.245  -27.237 1   31.944 ? 110 GLU   A CB   1 ? 1 
ATOM   1450 C CG   . GLU   A 1 98  ? -2.565  -1.426  -27.094 1   41.065 ? 110 GLU   A CG   1 ? 1 
ATOM   1451 C CD   . GLU   A 1 98  ? -1.245  -2.008  -27.66  1   46.756 ? 110 GLU   A CD   1 ? 1 
ATOM   1452 O OE1  . GLU   A 1 98  ? -1.186  -2.928  -28.55  1   35.135 ? 110 GLU   A OE1  1 ? 1 
ATOM   1453 O OE2  . GLU   A 1 98  ? -0.208  -1.485  -27.157 1   56.38  ? 110 GLU   A OE2  1 ? 1 
ATOM   1454 H H    . GLU   A 1 98  ? -2.255  -4.243  -27.207 1   32.561 ? 110 GLU   A H    1 c 1 
ATOM   1455 H HA   . GLU   A 1 98  ? -3.621  -2.968  -25.333 1   32.395 ? 110 GLU   A HA   1 c 1 
ATOM   1456 H HB2  . GLU   A 1 98  ? -3.91   -2.621  -28.139 1   33.705 ? 110 GLU   A HB2  1 c 1 
ATOM   1457 H HB3  . GLU   A 1 98  ? -4.63   -1.685  -27.078 1   34.299 ? 110 GLU   A HB3  1 c 1 
ATOM   1458 H HG2  . GLU   A 1 98  ? -2.713  -0.557  -27.523 1   41.507 ? 110 GLU   A HG2  1 c 1 
ATOM   1459 H HG3  . GLU   A 1 98  ? -2.424  -1.241  -26.141 1   40.447 ? 110 GLU   A HG3  1 c 1 
ATOM   1460 N N    . TYR   A 1 99  ? -5.361  -5.202  -26.818 1   26.867 ? 111 TYR   A N    1 ? 1 
ATOM   1461 C CA   . TYR   A 1 99  ? -6.629  -5.893  -26.855 1   26.42  ? 111 TYR   A CA   1 ? 1 
ATOM   1462 C C    . TYR   A 1 99  ? -6.615  -7.182  -26.002 1   25.668 ? 111 TYR   A C    1 ? 1 
ATOM   1463 O O    . TYR   A 1 99  ? -7.546  -8.011  -26.083 1   28.147 ? 111 TYR   A O    1 ? 1 
ATOM   1464 C CB   . TYR   A 1 99  ? -7.047  -6.186  -28.27  1   28.382 ? 111 TYR   A CB   1 ? 1 
ATOM   1465 C CG   . TYR   A 1 99  ? -7.311  -4.89   -29.012 1   28.792 ? 111 TYR   A CG   1 ? 1 
ATOM   1466 C CD1  . TYR   A 1 99  ? -6.306  -4.145  -29.649 1   28.756 ? 111 TYR   A CD1  1 ? 1 
ATOM   1467 C CD2  . TYR   A 1 99  ? -8.633  -4.475  -29.156 1   32.846 ? 111 TYR   A CD2  1 ? 1 
ATOM   1468 C CE1  . TYR   A 1 99  ? -6.611  -2.938  -30.267 1   32.102 ? 111 TYR   A CE1  1 ? 1 
ATOM   1469 C CE2  . TYR   A 1 99  ? -8.946  -3.307  -29.851 1   32.635 ? 111 TYR   A CE2  1 ? 1 
ATOM   1470 C CZ   . TYR   A 1 99  ? -7.932  -2.57   -30.44  1   33.218 ? 111 TYR   A CZ   1 ? 1 
ATOM   1471 O OH   . TYR   A 1 99  ? -8.241  -1.389  -31.064 1   33.995 ? 111 TYR   A OH   1 ? 1 
ATOM   1472 H H    . TYR   A 1 99  ? -4.673  -5.529  -27.323 1   27.403 ? 111 TYR   A H    1 c 1 
ATOM   1473 H HA   . TYR   A 1 99  ? -7.312  -5.287  -26.466 1   27.138 ? 111 TYR   A HA   1 c 1 
ATOM   1474 H HB2  . TYR   A 1 99  ? -6.33   -6.684  -28.722 1   27.715 ? 111 TYR   A HB2  1 c 1 
ATOM   1475 H HB3  . TYR   A 1 99  ? -7.865  -6.732  -28.26  1   27.237 ? 111 TYR   A HB3  1 c 1 
ATOM   1476 H HD1  . TYR   A 1 99  ? -5.402  -4.395  -29.54  1   29.532 ? 111 TYR   A HD1  1 c 1 
ATOM   1477 H HD2  . TYR   A 1 99  ? -9.328  -4.987  -28.773 1   30.795 ? 111 TYR   A HD2  1 c 1 
ATOM   1478 H HE1  . TYR   A 1 99  ? -5.929  -2.439  -30.683 1   32.997 ? 111 TYR   A HE1  1 c 1 
ATOM   1479 H HE2  . TYR   A 1 99  ? -9.841  -3.022  -29.923 1   33.134 ? 111 TYR   A HE2  1 c 1 
ATOM   1480 H HH   . TYR   A 1 99  ? -7.529  -1.001  -31.352 0   30     ? 111 TYR   A HH   1 c 1 
ATOM   1481 N N    . ALA   A 1 100 ? -5.548  -7.348  -25.227 1   25.848 ? 112 ALA   A N    1 ? 1 
ATOM   1482 C CA   . ALA   A 1 100 ? -5.354  -8.525  -24.401 1   26.739 ? 112 ALA   A CA   1 ? 1 
ATOM   1483 C C    . ALA   A 1 100 ? -5.076  -8.027  -22.971 1   27.407 ? 112 ALA   A C    1 ? 1 
ATOM   1484 O O    . ALA   A 1 100 ? -6.01   -7.536  -22.294 1   28.819 ? 112 ALA   A O    1 ? 1 
ATOM   1485 C CB   . ALA   A 1 100 ? -4.321  -9.442  -24.957 1   25.582 ? 112 ALA   A CB   1 ? 1 
ATOM   1486 H H    . ALA   A 1 100 ? -4.91   -6.696  -25.204 1   26.78  ? 112 ALA   A H    1 c 1 
ATOM   1487 H HA   . ALA   A 1 100 ? -6.218  -9.019  -24.375 1   25.857 ? 112 ALA   A HA   1 c 1 
ATOM   1488 H HB1  . ALA   A 1 100 ? -4.679  -9.907  -25.731 1   25.594 ? 112 ALA   A HB1  1 c 1 
ATOM   1489 H HB2  . ALA   A 1 100 ? -3.539  -8.931  -25.224 1   26.398 ? 112 ALA   A HB2  1 c 1 
ATOM   1490 H HB3  . ALA   A 1 100 ? -4.065  -10.094 -24.283 1   25.941 ? 112 ALA   A HB3  1 c 1 
ATOM   1491 N N    . TYR   A 1 101 ? -3.814  -8.091  -22.493 1   25.44  ? 113 TYR   A N    1 ? 1 
ATOM   1492 C CA   . TYR   A 1 101 ? -3.497  -7.769  -21.119 1   25.616 ? 113 TYR   A CA   1 ? 1 
ATOM   1493 C C    . TYR   A 1 101 ? -2.612  -6.51   -20.981 1   29.485 ? 113 TYR   A C    1 ? 1 
ATOM   1494 O O    . TYR   A 1 101 ? -2.211  -6.105  -19.897 1   30.851 ? 113 TYR   A O    1 ? 1 
ATOM   1495 C CB   . TYR   A 1 101 ? -2.842  -8.952  -20.407 1   26.091 ? 113 TYR   A CB   1 ? 1 
ATOM   1496 C CG   . TYR   A 1 101 ? -3.763  -10.14  -20.343 1   30.193 ? 113 TYR   A CG   1 ? 1 
ATOM   1497 C CD1  . TYR   A 1 101 ? -4.809  -10.141 -19.383 1   27.009 ? 113 TYR   A CD1  1 ? 1 
ATOM   1498 C CD2  . TYR   A 1 101 ? -3.726  -11.128 -21.366 1   27.719 ? 113 TYR   A CD2  1 ? 1 
ATOM   1499 C CE1  . TYR   A 1 101 ? -5.708  -11.204 -19.335 1   27.814 ? 113 TYR   A CE1  1 ? 1 
ATOM   1500 C CE2  . TYR   A 1 101 ? -4.627  -12.19  -21.283 1   26.318 ? 113 TYR   A CE2  1 ? 1 
ATOM   1501 C CZ   . TYR   A 1 101 ? -5.623  -12.2   -20.291 1   26.661 ? 113 TYR   A CZ   1 ? 1 
ATOM   1502 O OH   . TYR   A 1 101 ? -6.577  -13.177 -20.258 1   24.475 ? 113 TYR   A OH   1 ? 1 
ATOM   1503 H H    . TYR   A 1 101 ? -3.135  -8.341  -23.05  1   25.83  ? 113 TYR   A H    1 c 1 
ATOM   1504 H HA   . TYR   A 1 101 ? -4.35   -7.582  -20.651 1   26.468 ? 113 TYR   A HA   1 c 1 
ATOM   1505 H HB2  . TYR   A 1 101 ? -2.023  -9.201  -20.889 1   27.099 ? 113 TYR   A HB2  1 c 1 
ATOM   1506 H HB3  . TYR   A 1 101 ? -2.6    -8.68   -19.493 1   28.024 ? 113 TYR   A HB3  1 c 1 
ATOM   1507 H HD1  . TYR   A 1 101 ? -4.85   -9.46   -18.732 1   28.781 ? 113 TYR   A HD1  1 c 1 
ATOM   1508 H HD2  . TYR   A 1 101 ? -3.043  -11.125 -22.017 1   27.688 ? 113 TYR   A HD2  1 c 1 
ATOM   1509 H HE1  . TYR   A 1 101 ? -6.39   -11.223 -18.688 1   28.021 ? 113 TYR   A HE1  1 c 1 
ATOM   1510 H HE2  . TYR   A 1 101 ? -4.61   -12.87  -21.931 1   26.308 ? 113 TYR   A HE2  1 c 1 
ATOM   1511 H HH   . TYR   A 1 101 ? -7.12   -13.051 -19.584 0   30     ? 113 TYR   A HH   1 c 1 
ATOM   1512 N N    . GLY   A 1 102 ? -2.211  -5.865  -22.087 1   29.096 ? 114 GLY   A N    1 ? 1 
ATOM   1513 C CA   . GLY   A 1 102 ? -1.76   -4.488  -21.966 1   33.794 ? 114 GLY   A CA   1 ? 1 
ATOM   1514 C C    . GLY   A 1 102 ? -0.345  -4.369  -21.438 1   33.38  ? 114 GLY   A C    1 ? 1 
ATOM   1515 O O    . GLY   A 1 102 ? 0.394   -5.354  -21.316 1   33.299 ? 114 GLY   A O    1 ? 1 
ATOM   1516 H H    . GLY   A 1 102 ? -2.206  -6.276  -22.903 1   29.187 ? 114 GLY   A H    1 c 1 
ATOM   1517 H HA2  . GLY   A 1 102 ? -1.81   -4.061  -22.854 1   32.612 ? 114 GLY   A HA2  1 c 1 
ATOM   1518 H HA3  . GLY   A 1 102 ? -2.373  -4.002  -21.366 1   33.043 ? 114 GLY   A HA3  1 c 1 
ATOM   1519 N N    . SER   A 1 103 ? -0.017  -3.153  -21     1   34.178 ? 115 SER   A N    1 ? 1 
ATOM   1520 C CA   . SER   A 1 103 ? 1.301   -2.902  -20.418 1   36.319 ? 115 SER   A CA   1 ? 1 
ATOM   1521 C C    . SER   A 1 103 ? 1.449   -3.578  -19.072 1   33.714 ? 115 SER   A C    1 ? 1 
ATOM   1522 O O    . SER   A 1 103 ? 2.551   -3.955  -18.686 1   35.799 ? 115 SER   A O    1 ? 1 
ATOM   1523 C CB   . SER   A 1 103 ? 1.683   -1.406  -20.328 1   39.743 ? 115 SER   A CB   1 ? 1 
ATOM   1524 O OG   . SER   A 1 103 ? 0.569   -0.737  -19.807 1   45.798 ? 115 SER   A OG   1 ? 1 
ATOM   1525 H H    . SER   A 1 103 ? -0.616  -2.466  -21.062 1   34.881 ? 115 SER   A H    1 c 1 
ATOM   1526 H HA   . SER   A 1 103 ? 1.959   -3.328  -21.017 1   35.574 ? 115 SER   A HA   1 c 1 
ATOM   1527 H HB2  . SER   A 1 103 ? 2.452   -1.291  -19.738 1   42.058 ? 115 SER   A HB2  1 c 1 
ATOM   1528 H HB3  . SER   A 1 103 ? 1.899   -1.062  -21.215 1   40.881 ? 115 SER   A HB3  1 c 1 
ATOM   1529 H HG   . SER   A 1 103 ? 0.816   0.111   -19.782 0   30     ? 115 SER   A HG   1 c 1 
ATOM   1530 N N    . ALA   A 1 104 ? 0.37    -3.701  -18.312 1   36.071 ? 116 ALA   A N    1 ? 1 
ATOM   1531 C CA   . ALA   A 1 104 ? 0.429   -4.276  -16.992 1   36.218 ? 116 ALA   A CA   1 ? 1 
ATOM   1532 C C    . ALA   A 1 104 ? 0.643   -5.798  -17.038 1   31.73  ? 116 ALA   A C    1 ? 1 
ATOM   1533 O O    . ALA   A 1 104 ? 1.267   -6.349  -16.133 1   33.916 ? 116 ALA   A O    1 ? 1 
ATOM   1534 C CB   . ALA   A 1 104 ? -0.861  -3.925  -16.269 1   38.827 ? 116 ALA   A CB   1 ? 1 
ATOM   1535 H H    . ALA   A 1 104 ? -0.437  -3.411  -18.629 1   34.696 ? 116 ALA   A H    1 c 1 
ATOM   1536 H HA   . ALA   A 1 104 ? 1.197   -3.866  -16.506 1   37.725 ? 116 ALA   A HA   1 c 1 
ATOM   1537 H HB1  . ALA   A 1 104 ? -0.962  -2.959  -16.232 1   39.237 ? 116 ALA   A HB1  1 c 1 
ATOM   1538 H HB2  . ALA   A 1 104 ? -1.617  -4.309  -16.743 1   36.676 ? 116 ALA   A HB2  1 c 1 
ATOM   1539 H HB3  . ALA   A 1 104 ? -0.835  -4.279  -15.364 1   39.019 ? 116 ALA   A HB3  1 c 1 
ATOM   1540 N N    . GLY   A 1 105 ? 0.146   -6.429  -18.049 1   30.524 ? 117 GLY   A N    1 ? 1 
ATOM   1541 C CA   . GLY   A 1 105 ? 0.178   -7.878  -18.119 1   33.618 ? 117 GLY   A CA   1 ? 1 
ATOM   1542 C C    . GLY   A 1 105 ? -0.804  -8.514  -17.123 1   33.873 ? 117 GLY   A C    1 ? 1 
ATOM   1543 O O    . GLY   A 1 105 ? -1.717  -7.842  -16.65  1   32.723 ? 117 GLY   A O    1 ? 1 
ATOM   1544 H H    . GLY   A 1 105 ? -0.238  -5.962  -18.734 1   30.602 ? 117 GLY   A H    1 c 1 
ATOM   1545 H HA2  . GLY   A 1 105 ? -0.056  -8.16   -19.034 1   31.43  ? 117 GLY   A HA2  1 c 1 
ATOM   1546 H HA3  . GLY   A 1 105 ? 1.093   -8.192  -17.929 1   33.31  ? 117 GLY   A HA3  1 c 1 
ATOM   1547 N N    . SER   A 1 106 ? -0.545  -9.788  -16.814 1   33.329 ? 118 SER   A N    1 ? 1 
ATOM   1548 C CA   . SER   A 1 106 ? -1.292  -10.535 -15.792 1   30.341 ? 118 SER   A CA   1 ? 1 
ATOM   1549 C C    . SER   A 1 106 ? -0.328  -11.513 -15.151 1   30.568 ? 118 SER   A C    1 ? 1 
ATOM   1550 O O    . SER   A 1 106 ? -0.479  -12.722 -15.324 1   31.07  ? 118 SER   A O    1 ? 1 
ATOM   1551 C CB   . SER   A 1 106 ? -2.525  -11.187 -16.356 1   31.142 ? 118 SER   A CB   1 ? 1 
ATOM   1552 O OG   . SER   A 1 106 ? -3.352  -11.793 -15.367 1   33.599 ? 118 SER   A OG   1 ? 1 
ATOM   1553 H H    . SER   A 1 106 ? 0.128   -10.218 -17.26  1   32.395 ? 118 SER   A H    1 c 1 
ATOM   1554 H HA   . SER   A 1 106 ? -1.579  -9.892  -15.094 1   32.169 ? 118 SER   A HA   1 c 1 
ATOM   1555 H HB2  . SER   A 1 106 ? -3.046  -10.514 -16.834 1   30.173 ? 118 SER   A HB2  1 c 1 
ATOM   1556 H HB3  . SER   A 1 106 ? -2.257  -11.865 -17.005 1   30.214 ? 118 SER   A HB3  1 c 1 
ATOM   1557 H HG   . SER   A 1 106 ? -4.007  -12.098 -15.748 0   30     ? 118 SER   A HG   1 c 1 
ATOM   1558 N N    . LEU   A 1 107 ? 0.63    -10.934 -14.434 1   34.117 ? 119 LEU   A N    1 ? 1 
ATOM   1559 C CA   . LEU   A 1 107 ? 1.771   -11.68  -13.91  1   33.53  ? 119 LEU   A CA   1 ? 1 
ATOM   1560 C C    . LEU   A 1 107 ? 1.288   -12.529 -12.759 1   37.656 ? 119 LEU   A C    1 ? 1 
ATOM   1561 O O    . LEU   A 1 107 ? 0.482   -12.071 -11.927 1   38.047 ? 119 LEU   A O    1 ? 1 
ATOM   1562 C CB   . LEU   A 1 107 ? 2.949   -10.809 -13.567 1   37.227 ? 119 LEU   A CB   1 ? 1 
ATOM   1563 C CG   . LEU   A 1 107 ? 3.797   -10.321 -14.768 1   43.672 ? 119 LEU   A CG   1 ? 1 
ATOM   1564 C CD1  . LEU   A 1 107 ? 4.841   -9.248  -14.423 1   50.318 ? 119 LEU   A CD1  1 ? 1 
ATOM   1565 C CD2  . LEU   A 1 107 ? 4.525   -11.521 -15.352 1   40.713 ? 119 LEU   A CD2  1 ? 1 
ATOM   1566 H H    . LEU   A 1 107 ? 0.576   -10.038 -14.261 1   33.575 ? 119 LEU   A H    1 c 1 
ATOM   1567 H HA   . LEU   A 1 107 ? 2.05    -12.298 -14.626 1   33.99  ? 119 LEU   A HA   1 c 1 
ATOM   1568 H HB2  . LEU   A 1 107 ? 2.615   -10.019 -13.081 1   38.765 ? 119 LEU   A HB2  1 c 1 
ATOM   1569 H HB3  . LEU   A 1 107 ? 3.535   -11.306 -12.952 1   39.649 ? 119 LEU   A HB3  1 c 1 
ATOM   1570 H HG   . LEU   A 1 107 ? 3.185   -9.956  -15.458 1   40.852 ? 119 LEU   A HG   1 c 1 
ATOM   1571 H HD11 . LEU   A 1 107 ? 4.397   -8.477  -14.029 1   49.275 ? 119 LEU   A HD11 1 c 1 
ATOM   1572 H HD12 . LEU   A 1 107 ? 5.305   -8.974  -15.232 1   48.389 ? 119 LEU   A HD12 1 c 1 
ATOM   1573 H HD13 . LEU   A 1 107 ? 5.482   -9.61   -13.789 1   50.431 ? 119 LEU   A HD13 1 c 1 
ATOM   1574 H HD21 . LEU   A 1 107 ? 3.884   -12.126 -15.759 1   40.163 ? 119 LEU   A HD21 1 c 1 
ATOM   1575 H HD22 . LEU   A 1 107 ? 5.006   -11.984 -14.646 1   42.913 ? 119 LEU   A HD22 1 c 1 
ATOM   1576 H HD23 . LEU   A 1 107 ? 5.156   -11.22  -16.027 1   41.407 ? 119 LEU   A HD23 1 c 1 
ATOM   1577 N N    . PRO   A 1 108 ? 1.905   -13.704 -12.542 1   37.734 ? 120 PRO   A N    1 ? 1 
ATOM   1578 C CA   . PRO   A 1 108 ? 3.081   -14.16  -13.292 1   37.194 ? 120 PRO   A CA   1 ? 1 
ATOM   1579 C C    . PRO   A 1 108 ? 2.75    -14.886 -14.597 1   35.797 ? 120 PRO   A C    1 ? 1 
ATOM   1580 O O    . PRO   A 1 108 ? 3.618   -15.143 -15.366 1   38.965 ? 120 PRO   A O    1 ? 1 
ATOM   1581 C CB   . PRO   A 1 108 ? 3.772   -15.144 -12.316 1   40.542 ? 120 PRO   A CB   1 ? 1 
ATOM   1582 C CG   . PRO   A 1 108 ? 2.601   -15.644 -11.464 1   42.477 ? 120 PRO   A CG   1 ? 1 
ATOM   1583 C CD   . PRO   A 1 108 ? 1.671   -14.489 -11.314 1   40.074 ? 120 PRO   A CD   1 ? 1 
ATOM   1584 H HA   . PRO   A 1 108 ? 3.676   -13.409 -13.472 1   37.649 ? 120 PRO   A HA   1 c 1 
ATOM   1585 H HB2  . PRO   A 1 108 ? 4.198   -15.88  -12.798 1   40.618 ? 120 PRO   A HB2  1 c 1 
ATOM   1586 H HB3  . PRO   A 1 108 ? 4.437   -14.686 -11.767 1   42.123 ? 120 PRO   A HB3  1 c 1 
ATOM   1587 H HG2  . PRO   A 1 108 ? 2.148   -16.39  -11.905 1   41.094 ? 120 PRO   A HG2  1 c 1 
ATOM   1588 H HG3  . PRO   A 1 108 ? 2.915   -15.944 -10.588 1   44.027 ? 120 PRO   A HG3  1 c 1 
ATOM   1589 H HD2  . PRO   A 1 108 ? 0.742   -14.785 -11.263 1   40.03  ? 120 PRO   A HD2  1 c 1 
ATOM   1590 H HD3  . PRO   A 1 108 ? 1.885   -13.962 -10.52  1   41.99  ? 120 PRO   A HD3  1 c 1 
ATOM   1591 N N    . LYS   A 1 109 ? 1.509   -15.174 -14.87  1   35.664 ? 121 LYS   A N    1 ? 1 
ATOM   1592 C CA   . LYS   A 1 109 ? 1.142   -15.932 -16.058 1   35.602 ? 121 LYS   A CA   1 ? 1 
ATOM   1593 C C    . LYS   A 1 109 ? 1.399   -15.197 -17.392 1   32.366 ? 121 LYS   A C    1 ? 1 
ATOM   1594 O O    . LYS   A 1 109 ? 1.878   -15.818 -18.349 1   33.629 ? 121 LYS   A O    1 ? 1 
ATOM   1595 C CB   . LYS   A 1 109 ? -0.334  -16.284 -16.01  1   36.037 ? 121 LYS   A CB   1 ? 1 
ATOM   1596 C CG   . LYS   A 1 109 ? -0.821  -17.136 -17.2   1   37.692 ? 121 LYS   A CG   1 ? 1 
ATOM   1597 C CD   . LYS   A 1 109 ? -2.258  -17.614 -17.027 1   39.149 ? 121 LYS   A CD   1 ? 1 
ATOM   1598 C CE   . LYS   A 1 109 ? -2.596  -18.297 -15.744 1   44.901 ? 121 LYS   A CE   1 ? 1 
ATOM   1599 N NZ   . LYS   A 1 109 ? -2.102  -19.68  -15.63  1   47.17  ? 121 LYS   A NZ   1 ? 1 
ATOM   1600 H H    . LYS   A 1 109 ? 0.847   -14.898 -14.304 1   35.887 ? 121 LYS   A H    1 c 1 
ATOM   1601 H HA   . LYS   A 1 109 ? 1.663   -16.775 -16.06  1   36.194 ? 121 LYS   A HA   1 c 1 
ATOM   1602 H HB2  . LYS   A 1 109 ? -0.507  -16.773 -15.179 1   37.797 ? 121 LYS   A HB2  1 c 1 
ATOM   1603 H HB3  . LYS   A 1 109 ? -0.857  -15.455 -15.984 1   35.609 ? 121 LYS   A HB3  1 c 1 
ATOM   1604 H HG2  . LYS   A 1 109 ? -0.758  -16.603 -18.021 1   36.107 ? 121 LYS   A HG2  1 c 1 
ATOM   1605 H HG3  . LYS   A 1 109 ? -0.231  -17.915 -17.295 1   38.262 ? 121 LYS   A HG3  1 c 1 
ATOM   1606 H HD2  . LYS   A 1 109 ? -2.849  -16.837 -17.129 1   38.585 ? 121 LYS   A HD2  1 c 1 
ATOM   1607 H HD3  . LYS   A 1 109 ? -2.464  -18.226 -17.767 1   39.148 ? 121 LYS   A HD3  1 c 1 
ATOM   1608 H HE2  . LYS   A 1 109 ? -2.257  -17.782 -14.992 1   44.786 ? 121 LYS   A HE2  1 c 1 
ATOM   1609 H HE3  . LYS   A 1 109 ? -3.566  -18.316 -15.66  1   43.897 ? 121 LYS   A HE3  1 c 1 
ATOM   1610 H HZ1  . LYS   A 1 109 ? -1.199  -19.69  -15.709 1   47.355 ? 121 LYS   A HZ1  1 c 1 
ATOM   1611 H HZ2  . LYS   A 1 109 ? -2.464  -20.19  -16.285 1   46.558 ? 121 LYS   A HZ2  1 c 1 
ATOM   1612 H HZ3  . LYS   A 1 109 ? -2.333  -20.023 -14.823 1   48.471 ? 121 LYS   A HZ3  1 c 1 
ATOM   1613 N N    . ILE   A 1 110 ? 1.038   -13.914 -17.487 1   29.009 ? 122 ILE   A N    1 ? 1 
ATOM   1614 C CA   . ILE   A 1 110 ? 1.143   -13.193 -18.745 1   29.165 ? 122 ILE   A CA   1 ? 1 
ATOM   1615 C C    . ILE   A 1 110 ? 2.013   -11.971 -18.557 1   32.572 ? 122 ILE   A C    1 ? 1 
ATOM   1616 O O    . ILE   A 1 110 ? 1.724   -11.136 -17.697 1   32.875 ? 122 ILE   A O    1 ? 1 
ATOM   1617 C CB   . ILE   A 1 110 ? -0.229  -12.71  -19.237 1   31.739 ? 122 ILE   A CB   1 ? 1 
ATOM   1618 C CG1  . ILE   A 1 110 ? -1.317  -13.707 -19.22  1   35.743 ? 122 ILE   A CG1  1 ? 1 
ATOM   1619 C CG2  . ILE   A 1 110 ? -0.079  -12.035 -20.602 1   30.641 ? 122 ILE   A CG2  1 ? 1 
ATOM   1620 C CD1  . ILE   A 1 110 ? -1.207  -14.754 -20.246 1   35.228 ? 122 ILE   A CD1  1 ? 1 
ATOM   1621 H H    . ILE   A 1 110 ? 0.717   -13.478 -16.751 1   30.39  ? 122 ILE   A H    1 c 1 
ATOM   1622 H HA   . ILE   A 1 110 ? 1.535   -13.776 -19.42  1   30.055 ? 122 ILE   A HA   1 c 1 
ATOM   1623 H HB   . ILE   A 1 110 ? -0.506  -12.008 -18.616 1   31.901 ? 122 ILE   A HB   1 c 1 
ATOM   1624 H HG12 . ILE   A 1 110 ? -1.338  -14.133 -18.339 1   35.461 ? 122 ILE   A HG12 1 c 1 
ATOM   1625 H HG13 . ILE   A 1 110 ? -2.168  -13.239 -19.343 1   33.869 ? 122 ILE   A HG13 1 c 1 
ATOM   1626 H HG21 . ILE   A 1 110 ? -0.942  -12.01  -21.049 1   29.811 ? 122 ILE   A HG21 1 c 1 
ATOM   1627 H HG22 . ILE   A 1 110 ? 0.551   -12.534 -21.147 1   30.852 ? 122 ILE   A HG22 1 c 1 
ATOM   1628 H HG23 . ILE   A 1 110 ? 0.246   -11.126 -20.483 1   31.012 ? 122 ILE   A HG23 1 c 1 
ATOM   1629 H HD11 . ILE   A 1 110 ? -1.424  -14.385 -21.123 1   34.354 ? 122 ILE   A HD11 1 c 1 
ATOM   1630 H HD12 . ILE   A 1 110 ? -1.832  -15.473 -20.035 1   35.327 ? 122 ILE   A HD12 1 c 1 
ATOM   1631 H HD13 . ILE   A 1 110 ? -0.298  -15.109 -20.26  1   35.957 ? 122 ILE   A HD13 1 c 1 
ATOM   1632 N N    . PRO   A 1 111 ? 3.123   -11.846 -19.294 1   34.702 ? 123 PRO   A N    1 ? 1 
ATOM   1633 C CA   . PRO   A 1 111 ? 4.012   -10.687 -19.145 1   34.415 ? 123 PRO   A CA   1 ? 1 
ATOM   1634 C C    . PRO   A 1 111 ? 3.424   -9.408  -19.729 1   30.525 ? 123 PRO   A C    1 ? 1 
ATOM   1635 O O    . PRO   A 1 111 ? 2.455   -9.462  -20.429 1   31.416 ? 123 PRO   A O    1 ? 1 
ATOM   1636 C CB   . PRO   A 1 111 ? 5.313   -11.116 -19.843 1   41.059 ? 123 PRO   A CB   1 ? 1 
ATOM   1637 C CG   . PRO   A 1 111 ? 4.841   -12.142 -20.824 1   39.834 ? 123 PRO   A CG   1 ? 1 
ATOM   1638 C CD   . PRO   A 1 111 ? 3.536   -12.778 -20.359 1   37.371 ? 123 PRO   A CD   1 ? 1 
ATOM   1639 H HA   . PRO   A 1 111 ? 4.197   -10.547 -18.192 1   36.013 ? 123 PRO   A HA   1 c 1 
ATOM   1640 H HB2  . PRO   A 1 111 ? 5.735   -10.361 -20.298 1   39.99  ? 123 PRO   A HB2  1 c 1 
ATOM   1641 H HB3  . PRO   A 1 111 ? 5.944   -11.503 -19.204 1   40.905 ? 123 PRO   A HB3  1 c 1 
ATOM   1642 H HG2  . PRO   A 1 111 ? 4.705   -11.725 -21.698 1   38.95  ? 123 PRO   A HG2  1 c 1 
ATOM   1643 H HG3  . PRO   A 1 111 ? 5.522   -12.837 -20.928 1   40.422 ? 123 PRO   A HG3  1 c 1 
ATOM   1644 H HD2  . PRO   A 1 111 ? 2.873   -12.81  -21.076 1   35.722 ? 123 PRO   A HD2  1 c 1 
ATOM   1645 H HD3  . PRO   A 1 111 ? 3.68    -13.677 -20.003 1   37.4   ? 123 PRO   A HD3  1 c 1 
ATOM   1646 N N    . SER   A 1 112 ? 3.962   -8.264  -19.319 1   34.077 ? 124 SER   A N    1 ? 1 
ATOM   1647 C CA   . SER   A 1 112 ? 3.727   -6.974  -19.929 1   34.766 ? 124 SER   A CA   1 ? 1 
ATOM   1648 C C    . SER   A 1 112 ? 3.886   -7.073  -21.452 1   33.062 ? 124 SER   A C    1 ? 1 
ATOM   1649 O O    . SER   A 1 112 ? 4.807   -7.709  -21.914 1   32.282 ? 124 SER   A O    1 ? 1 
ATOM   1650 C CB   . SER   A 1 112 ? 4.77    -5.919  -19.443 1   40.864 ? 124 SER   A CB   1 ? 1 
ATOM   1651 O OG   . SER   A 1 112 ? 4.487   -5.672  -18.082 1   55.283 ? 124 SER   A OG   1 ? 1 
ATOM   1652 H H    . SER   A 1 112 ? 4.521   -8.294  -18.597 1   34.958 ? 124 SER   A H    1 c 1 
ATOM   1653 H HA   . SER   A 1 112 ? 2.812   -6.667  -19.707 1   34.415 ? 124 SER   A HA   1 c 1 
ATOM   1654 H HB2  . SER   A 1 112 ? 5.675   -6.27   -19.542 1   43.416 ? 124 SER   A HB2  1 c 1 
ATOM   1655 H HB3  . SER   A 1 112 ? 4.681   -5.096  -19.961 1   42.828 ? 124 SER   A HB3  1 c 1 
ATOM   1656 H HG   . SER   A 1 112 ? 5.018   -5.058  -17.758 0   30     ? 124 SER   A HG   1 c 1 
ATOM   1657 N N    . ASN   A 1 113 ? 3.026   -6.354  -22.145 1   30.724 ? 125 ASN   A N    1 ? 1 
ATOM   1658 C CA   . ASN   A 1 113 ? 3.1     -6.136  -23.573 1   30.422 ? 125 ASN   A CA   1 ? 1 
ATOM   1659 C C    . ASN   A 1 113 ? 3.171   -7.471  -24.347 1   32.345 ? 125 ASN   A C    1 ? 1 
ATOM   1660 O O    . ASN   A 1 113 ? 3.881   -7.509  -25.404 1   31.174 ? 125 ASN   A O    1 ? 1 
ATOM   1661 C CB   . ASN   A 1 113 ? 4.279   -5.221  -23.827 1   37.203 ? 125 ASN   A CB   1 ? 1 
ATOM   1662 C CG   . ASN   A 1 113 ? 4.084   -3.898  -23.117 1   33.569 ? 125 ASN   A CG   1 ? 1 
ATOM   1663 O OD1  . ASN   A 1 113 ? 5       -3.363  -22.502 1   37.488 ? 125 ASN   A OD1  1 ? 1 
ATOM   1664 N ND2  . ASN   A 1 113 ? 2.922   -3.329  -23.265 1   35.668 ? 125 ASN   A ND2  1 ? 1 
ATOM   1665 H H    . ASN   A 1 113 ? 2.332   -5.966  -21.694 1   30.844 ? 125 ASN   A H    1 c 1 
ATOM   1666 H HA   . ASN   A 1 113 ? 2.287   -5.664  -23.853 1   31.232 ? 125 ASN   A HA   1 c 1 
ATOM   1667 H HB2  . ASN   A 1 113 ? 5.1     -5.645  -23.509 1   35.61  ? 125 ASN   A HB2  1 c 1 
ATOM   1668 H HB3  . ASN   A 1 113 ? 4.367   -5.062  -24.788 1   35.075 ? 125 ASN   A HB3  1 c 1 
ATOM   1669 H HD21 . ASN   A 1 113 ? 2.743   -2.584  -22.821 1   35.612 ? 125 ASN   A HD21 1 c 1 
ATOM   1670 H HD22 . ASN   A 1 113 ? 2.321   -3.655  -23.827 1   33.61  ? 125 ASN   A HD22 1 c 1 
ATOM   1671 N N    . ALA   A 1 114 ? 2.321   -8.438  -23.938 1   27.628 ? 126 ALA   A N    1 ? 1 
ATOM   1672 C CA   . ALA   A 1 114 ? 2.309   -9.755  -24.54  1   29.619 ? 126 ALA   A CA   1 ? 1 
ATOM   1673 C C    . ALA   A 1 114 ? 1.351   -9.778  -25.761 1   27.502 ? 126 ALA   A C    1 ? 1 
ATOM   1674 O O    . ALA   A 1 114 ? 0.259   -9.245  -25.725 1   27.317 ? 126 ALA   A O    1 ? 1 
ATOM   1675 C CB   . ALA   A 1 114 ? 1.963   -10.781 -23.546 1   30.792 ? 126 ALA   A CB   1 ? 1 
ATOM   1676 H H    . ALA   A 1 114 ? 1.729   -8.259  -23.265 1   28.551 ? 126 ALA   A H    1 c 1 
ATOM   1677 H HA   . ALA   A 1 114 ? 3.229   -9.943  -24.873 1   30.119 ? 126 ALA   A HA   1 c 1 
ATOM   1678 H HB1  . ALA   A 1 114 ? 2.612   -10.768 -22.823 1   31.139 ? 126 ALA   A HB1  1 c 1 
ATOM   1679 H HB2  . ALA   A 1 114 ? 1.078   -10.603 -23.187 1   29.549 ? 126 ALA   A HB2  1 c 1 
ATOM   1680 H HB3  . ALA   A 1 114 ? 1.968   -11.658 -23.966 1   30.165 ? 126 ALA   A HB3  1 c 1 
ATOM   1681 N N    . THR   A 1 115 ? 1.881   -10.348 -26.862 1   26.888 ? 127 THR   A N    1 ? 1 
ATOM   1682 C CA   . THR   A 1 115 ? 1.064   -10.708 -28.013 1   28.185 ? 127 THR   A CA   1 ? 1 
ATOM   1683 C C    . THR   A 1 115 ? 0.531   -12.13  -27.82  1   25.396 ? 127 THR   A C    1 ? 1 
ATOM   1684 O O    . THR   A 1 115 ? 1.308   -13.012 -27.445 1   28.164 ? 127 THR   A O    1 ? 1 
ATOM   1685 C CB   . THR   A 1 115 ? 1.888   -10.589 -29.279 1   29.32  ? 127 THR   A CB   1 ? 1 
ATOM   1686 O OG1  . THR   A 1 115 ? 2.129   -9.2    -29.477 1   31.063 ? 127 THR   A OG1  1 ? 1 
ATOM   1687 C CG2  . THR   A 1 115 ? 1.099   -10.974 -30.524 1   31.74  ? 127 THR   A CG2  1 ? 1 
ATOM   1688 H H    . THR   A 1 115 ? 2.779   -10.514 -26.892 1   28.574 ? 127 THR   A H    1 c 1 
ATOM   1689 H HA   . THR   A 1 115 ? 0.309   -10.086 -28.069 1   26.758 ? 127 THR   A HA   1 c 1 
ATOM   1690 H HB   . THR   A 1 115 ? 2.74    -11.082 -29.214 1   30.931 ? 127 THR   A HB   1 c 1 
ATOM   1691 H HG1  . THR   A 1 115 ? 1.424   -8.754  -29.522 0   30     ? 127 THR   A HG1  1 c 1 
ATOM   1692 H HG21 . THR   A 1 115 ? 1.615   -10.751 -31.317 1   32.302 ? 127 THR   A HG21 1 c 1 
ATOM   1693 H HG22 . THR   A 1 115 ? 0.258   -10.489 -30.54  1   30.241 ? 127 THR   A HG22 1 c 1 
ATOM   1694 H HG23 . THR   A 1 115 ? 0.921   -11.93  -30.516 1   30.847 ? 127 THR   A HG23 1 c 1 
ATOM   1695 N N    . LEU   A 1 116 ? -0.773  -12.309 -28.067 1   23.969 ? 128 LEU   A N    1 ? 1 
ATOM   1696 C CA   . LEU   A 1 116 ? -1.451  -13.601 -27.87  1   27.913 ? 128 LEU   A CA   1 ? 1 
ATOM   1697 C C    . LEU   A 1 116 ? -2.001  -14.167 -29.18  1   28.138 ? 128 LEU   A C    1 ? 1 
ATOM   1698 O O    . LEU   A 1 116 ? -2.393  -13.421 -30.091 1   27.627 ? 128 LEU   A O    1 ? 1 
ATOM   1699 C CB   . LEU   A 1 116 ? -2.658  -13.526 -26.934 1   26.459 ? 128 LEU   A CB   1 ? 1 
ATOM   1700 C CG   . LEU   A 1 116 ? -2.498  -12.943 -25.522 1   32.964 ? 128 LEU   A CG   1 ? 1 
ATOM   1701 C CD1  . LEU   A 1 116 ? -3.523  -13.574 -24.554 1   31.017 ? 128 LEU   A CD1  1 ? 1 
ATOM   1702 C CD2  . LEU   A 1 116 ? -1.243  -12.953 -24.914 1   30.506 ? 128 LEU   A CD2  1 ? 1 
ATOM   1703 H H    . LEU   A 1 116 ? -1.266  -11.603 -28.374 1   24.663 ? 128 LEU   A H    1 c 1 
ATOM   1704 H HA   . LEU   A 1 116 ? -0.795  -14.244 -27.499 1   27.449 ? 128 LEU   A HA   1 c 1 
ATOM   1705 H HB2  . LEU   A 1 116 ? -3.359  -13.009 -27.393 1   27.487 ? 128 LEU   A HB2  1 c 1 
ATOM   1706 H HB3  . LEU   A 1 116 ? -3.019  -14.438 -26.843 1   27.997 ? 128 LEU   A HB3  1 c 1 
ATOM   1707 H HG   . LEU   A 1 116 ? -2.749  -11.985 -25.588 1   30.385 ? 128 LEU   A HG   1 c 1 
ATOM   1708 H HD11 . LEU   A 1 116 ? -4.415  -13.503 -24.933 1   30.995 ? 128 LEU   A HD11 1 c 1 
ATOM   1709 H HD12 . LEU   A 1 116 ? -3.496  -13.107 -23.704 1   31.445 ? 128 LEU   A HD12 1 c 1 
ATOM   1710 H HD13 . LEU   A 1 116 ? -3.305  -14.511 -24.415 1   31.898 ? 128 LEU   A HD13 1 c 1 
ATOM   1711 H HD21 . LEU   A 1 116 ? -0.664  -12.31  -25.355 1   31.715 ? 128 LEU   A HD21 1 c 1 
ATOM   1712 H HD22 . LEU   A 1 116 ? -0.855  -13.841 -24.988 1   32.009 ? 128 LEU   A HD22 1 c 1 
ATOM   1713 H HD23 . LEU   A 1 116 ? -1.331  -12.716 -23.976 1   31.492 ? 128 LEU   A HD23 1 c 1 
ATOM   1714 N N    . PHE   A 1 117 ? -1.987  -15.536 -29.274 1   26.281 ? 129 PHE   A N    1 ? 1 
ATOM   1715 C CA   . PHE   A 1 117 ? -2.576  -16.271 -30.372 1   26.785 ? 129 PHE   A CA   1 ? 1 
ATOM   1716 C C    . PHE   A 1 117 ? -3.651  -17.199 -29.828 1   27.396 ? 129 PHE   A C    1 ? 1 
ATOM   1717 O O    . PHE   A 1 117 ? -3.376  -17.921 -28.815 1   29.528 ? 129 PHE   A O    1 ? 1 
ATOM   1718 C CB   . PHE   A 1 117 ? -1.466  -17.014 -31.081 1   27.654 ? 129 PHE   A CB   1 ? 1 
ATOM   1719 C CG   . PHE   A 1 117 ? -2.008  -17.867 -32.218 1   31.972 ? 129 PHE   A CG   1 ? 1 
ATOM   1720 C CD1  . PHE   A 1 117 ? -2.178  -17.342 -33.486 1   33.073 ? 129 PHE   A CD1  1 ? 1 
ATOM   1721 C CD2  . PHE   A 1 117 ? -2.331  -19.211 -31.984 1   33.301 ? 129 PHE   A CD2  1 ? 1 
ATOM   1722 C CE1  . PHE   A 1 117 ? -2.644  -18.154 -34.511 1   33.486 ? 129 PHE   A CE1  1 ? 1 
ATOM   1723 C CE2  . PHE   A 1 117 ? -2.883  -19.976 -33.004 1   37.193 ? 129 PHE   A CE2  1 ? 1 
ATOM   1724 C CZ   . PHE   A 1 117 ? -3.007  -19.445 -34.279 1   36.663 ? 129 PHE   A CZ   1 ? 1 
ATOM   1725 H H    . PHE   A 1 117 ? -1.584  -16.013 -28.607 1   27.047 ? 129 PHE   A H    1 c 1 
ATOM   1726 H HA   . PHE   A 1 117 ? -2.988  -15.629 -31.005 1   26.693 ? 129 PHE   A HA   1 c 1 
ATOM   1727 H HB2  . PHE   A 1 117 ? -0.824  -16.363 -31.44  1   28.891 ? 129 PHE   A HB2  1 c 1 
ATOM   1728 H HB3  . PHE   A 1 117 ? -1.004  -17.591 -30.433 1   28.843 ? 129 PHE   A HB3  1 c 1 
ATOM   1729 H HD1  . PHE   A 1 117 ? -1.927  -16.449 -33.664 1   32.452 ? 129 PHE   A HD1  1 c 1 
ATOM   1730 H HD2  . PHE   A 1 117 ? -2.258  -19.566 -31.112 1   33.353 ? 129 PHE   A HD2  1 c 1 
ATOM   1731 H HE1  . PHE   A 1 117 ? -2.765  -17.787 -35.372 1   35.089 ? 129 PHE   A HE1  1 c 1 
ATOM   1732 H HE2  . PHE   A 1 117 ? -3.096  -20.88  -32.849 1   37.064 ? 129 PHE   A HE2  1 c 1 
ATOM   1733 H HZ   . PHE   A 1 117 ? -3.345  -19.976 -34.982 1   37.585 ? 129 PHE   A HZ   1 c 1 
ATOM   1734 N N    . PHE   A 1 118 ? -4.763  -17.323 -30.552 1   28.459 ? 130 PHE   A N    1 ? 1 
ATOM   1735 C CA   . PHE   A 1 118 ? -5.731  -18.368 -30.274 1   29.627 ? 130 PHE   A CA   1 ? 1 
ATOM   1736 C C    . PHE   A 1 118 ? -6.241  -19.042 -31.53  1   33.027 ? 130 PHE   A C    1 ? 1 
ATOM   1737 O O    . PHE   A 1 118 ? -6.356  -18.398 -32.573 1   33.368 ? 130 PHE   A O    1 ? 1 
ATOM   1738 C CB   . PHE   A 1 118 ? -6.953  -17.8   -29.559 1   26.004 ? 130 PHE   A CB   1 ? 1 
ATOM   1739 C CG   . PHE   A 1 118 ? -6.748  -17.178 -28.195 1   26.576 ? 130 PHE   A CG   1 ? 1 
ATOM   1740 C CD1  . PHE   A 1 118 ? -6.283  -15.878 -28.07  1   26.262 ? 130 PHE   A CD1  1 ? 1 
ATOM   1741 C CD2  . PHE   A 1 118 ? -6.996  -17.932 -27.03  1   30.018 ? 130 PHE   A CD2  1 ? 1 
ATOM   1742 C CE1  . PHE   A 1 118 ? -6.123  -15.301 -26.8   1   25.653 ? 130 PHE   A CE1  1 ? 1 
ATOM   1743 C CE2  . PHE   A 1 118 ? -6.833  -17.335 -25.77  1   28.265 ? 130 PHE   A CE2  1 ? 1 
ATOM   1744 C CZ   . PHE   A 1 118 ? -6.358  -16.057 -25.668 1   28.536 ? 130 PHE   A CZ   1 ? 1 
ATOM   1745 H H    . PHE   A 1 118 ? -4.925  -16.742 -31.238 1   28.343 ? 130 PHE   A H    1 c 1 
ATOM   1746 H HA   . PHE   A 1 118 ? -5.307  -19.049 -29.692 1   29.86  ? 130 PHE   A HA   1 c 1 
ATOM   1747 H HB2  . PHE   A 1 118 ? -7.358  -17.123 -30.146 1   26.59  ? 130 PHE   A HB2  1 c 1 
ATOM   1748 H HB3  . PHE   A 1 118 ? -7.613  -18.524 -29.468 1   27.44  ? 130 PHE   A HB3  1 c 1 
ATOM   1749 H HD1  . PHE   A 1 118 ? -6.114  -15.366 -28.845 1   26.211 ? 130 PHE   A HD1  1 c 1 
ATOM   1750 H HD2  . PHE   A 1 118 ? -7.316  -18.817 -27.099 1   29.765 ? 130 PHE   A HD2  1 c 1 
ATOM   1751 H HE1  . PHE   A 1 118 ? -5.802  -14.417 -26.72  1   25.902 ? 130 PHE   A HE1  1 c 1 
ATOM   1752 H HE2  . PHE   A 1 118 ? -6.994  -17.84  -24.989 1   29.207 ? 130 PHE   A HE2  1 c 1 
ATOM   1753 H HZ   . PHE   A 1 118 ? -6.247  -15.667 -24.816 1   27.463 ? 130 PHE   A HZ   1 c 1 
ATOM   1754 N N    . GLU   A 1 119 ? -6.505  -20.338 -31.402 1   30.886 ? 131 GLU   A N    1 ? 1 
ATOM   1755 C CA   . GLU   A 1 119 ? -7.453  -21.007 -32.263 1   33.697 ? 131 GLU   A CA   1 ? 1 
ATOM   1756 C C    . GLU   A 1 119 ? -8.749  -21.219 -31.483 1   35.508 ? 131 GLU   A C    1 ? 1 
ATOM   1757 O O    . GLU   A 1 119 ? -8.725  -21.817 -30.398 1   37.587 ? 131 GLU   A O    1 ? 1 
ATOM   1758 C CB   . GLU   A 1 119 ? -6.806  -22.295 -32.737 1   32.142 ? 131 GLU   A CB   1 ? 1 
ATOM   1759 C CG   . GLU   A 1 119 ? -7.635  -23.12  -33.723 1   36.831 ? 131 GLU   A CG   1 ? 1 
ATOM   1760 C CD   . GLU   A 1 119 ? -6.823  -24.307 -34.179 1   37.321 ? 131 GLU   A CD   1 ? 1 
ATOM   1761 O OE1  . GLU   A 1 119 ? -5.956  -24.327 -35.127 1   41.616 ? 131 GLU   A OE1  1 ? 1 
ATOM   1762 O OE2  . GLU   A 1 119 ? -7.071  -25.374 -33.558 1   44.255 ? 131 GLU   A OE2  1 ? 1 
ATOM   1763 H H    . GLU   A 1 119 ? -6.076  -20.824 -30.757 1   32.222 ? 131 GLU   A H    1 c 1 
ATOM   1764 H HA   . GLU   A 1 119 ? -7.634  -20.43  -33.045 1   33.002 ? 131 GLU   A HA   1 c 1 
ATOM   1765 H HB2  . GLU   A 1 119 ? -5.95   -22.076 -33.161 1   33.924 ? 131 GLU   A HB2  1 c 1 
ATOM   1766 H HB3  . GLU   A 1 119 ? -6.613  -22.853 -31.955 1   33.746 ? 131 GLU   A HB3  1 c 1 
ATOM   1767 H HG2  . GLU   A 1 119 ? -8.456  -23.436 -33.287 1   35.659 ? 131 GLU   A HG2  1 c 1 
ATOM   1768 H HG3  . GLU   A 1 119 ? -7.877  -22.573 -34.499 1   35.654 ? 131 GLU   A HG3  1 c 1 
ATOM   1769 N N    . ILE   A 1 120 ? -9.869  -20.862 -32.12  1   35.105 ? 132 ILE   A N    1 ? 1 
ATOM   1770 C CA   . ILE   A 1 120 ? -11.175 -20.867 -31.463 1   31.937 ? 132 ILE   A CA   1 ? 1 
ATOM   1771 C C    . ILE   A 1 120 ? -12.148 -21.592 -32.383 1   34.863 ? 132 ILE   A C    1 ? 1 
ATOM   1772 O O    . ILE   A 1 120 ? -12.26  -21.226 -33.553 1   35.818 ? 132 ILE   A O    1 ? 1 
ATOM   1773 C CB   . ILE   A 1 120 ? -11.699 -19.452 -31.177 1   30.649 ? 132 ILE   A CB   1 ? 1 
ATOM   1774 C CG1  . ILE   A 1 120 ? -10.684 -18.598 -30.356 1   29.197 ? 132 ILE   A CG1  1 ? 1 
ATOM   1775 C CG2  . ILE   A 1 120 ? -13.086 -19.497 -30.54  1   32.766 ? 132 ILE   A CG2  1 ? 1 
ATOM   1776 C CD1  . ILE   A 1 120 ? -11.003 -17.106 -30.246 1   29.682 ? 132 ILE   A CD1  1 ? 1 
ATOM   1777 H H    . ILE   A 1 120 ? -9.822  -20.607 -32.996 1   34.957 ? 132 ILE   A H    1 c 1 
ATOM   1778 H HA   . ILE   A 1 120 ? -11.106 -21.354 -30.62  1   32.879 ? 132 ILE   A HA   1 c 1 
ATOM   1779 H HB   . ILE   A 1 120 ? -11.799 -19.01  -32.043 1   31.113 ? 132 ILE   A HB   1 c 1 
ATOM   1780 H HG12 . ILE   A 1 120 ? -10.63  -18.969 -29.452 1   29.491 ? 132 ILE   A HG12 1 c 1 
ATOM   1781 H HG13 . ILE   A 1 120 ? -9.799  -18.691 -30.764 1   29.844 ? 132 ILE   A HG13 1 c 1 
ATOM   1782 H HG21 . ILE   A 1 120 ? -13.299 -18.629 -30.158 1   31.099 ? 132 ILE   A HG21 1 c 1 
ATOM   1783 H HG22 . ILE   A 1 120 ? -13.1   -20.169 -29.838 1   32.594 ? 132 ILE   A HG22 1 c 1 
ATOM   1784 H HG23 . ILE   A 1 120 ? -13.749 -19.721 -31.215 1   33.076 ? 132 ILE   A HG23 1 c 1 
ATOM   1785 H HD11 . ILE   A 1 120 ? -11.194 -16.747 -31.134 1   29.417 ? 132 ILE   A HD11 1 c 1 
ATOM   1786 H HD12 . ILE   A 1 120 ? -10.238 -16.636 -29.865 1   28.46  ? 132 ILE   A HD12 1 c 1 
ATOM   1787 H HD13 . ILE   A 1 120 ? -11.781 -16.977 -29.671 1   28.906 ? 132 ILE   A HD13 1 c 1 
ATOM   1788 N N    . GLU   A 1 121 ? -12.908 -22.534 -31.798 1   36.392 ? 133 GLU   A N    1 ? 1 
ATOM   1789 C CA   . GLU   A 1 121 ? -14.07  -23.08  -32.479 1   39.11  ? 133 GLU   A CA   1 ? 1 
ATOM   1790 C C    . GLU   A 1 121 ? -15.323 -22.6   -31.777 1   38.72  ? 133 GLU   A C    1 ? 1 
ATOM   1791 O O    . GLU   A 1 121 ? -15.459 -22.789 -30.573 1   39.207 ? 133 GLU   A O    1 ? 1 
ATOM   1792 C CB   . GLU   A 1 121 ? -13.951 -24.605 -32.454 1   41.085 ? 133 GLU   A CB   1 ? 1 
ATOM   1793 C CG   . GLU   A 1 121 ? -15.035 -25.384 -33.213 1   43.173 ? 133 GLU   A CG   1 ? 1 
ATOM   1794 C CD   . GLU   A 1 121 ? -15.08  -26.89  -32.967 1   45.915 ? 133 GLU   A CD   1 ? 1 
ATOM   1795 O OE1  . GLU   A 1 121 ? -14.204 -27.445 -32.302 1   50.418 ? 133 GLU   A OE1  1 ? 1 
ATOM   1796 O OE2  . GLU   A 1 121 ? -15.985 -27.554 -33.435 1   51.973 ? 133 GLU   A OE2  1 ? 1 
ATOM   1797 H H    . GLU   A 1 121 ? -12.697 -22.842 -30.963 1   36.32  ? 133 GLU   A H    1 c 1 
ATOM   1798 H HA   . GLU   A 1 121 ? -14.073 -22.763 -33.415 1   39.161 ? 133 GLU   A HA   1 c 1 
ATOM   1799 H HB2  . GLU   A 1 121 ? -13.081 -24.853 -32.829 1   41.526 ? 133 GLU   A HB2  1 c 1 
ATOM   1800 H HB3  . GLU   A 1 121 ? -13.964 -24.9   -31.52  1   40.954 ? 133 GLU   A HB3  1 c 1 
ATOM   1801 H HG2  . GLU   A 1 121 ? -15.912 -25.013 -32.977 1   42.867 ? 133 GLU   A HG2  1 c 1 
ATOM   1802 H HG3  . GLU   A 1 121 ? -14.914 -25.237 -34.174 1   43.914 ? 133 GLU   A HG3  1 c 1 
ATOM   1803 N N    . LEU   A 1 122 ? -16.256 -22.031 -32.56  1   36.356 ? 134 LEU   A N    1 ? 1 
ATOM   1804 C CA   . LEU   A 1 122 ? -17.543 -21.597 -32.028 1   37.399 ? 134 LEU   A CA   1 ? 1 
ATOM   1805 C C    . LEU   A 1 122 ? -18.464 -22.801 -32.058 1   39.768 ? 134 LEU   A C    1 ? 1 
ATOM   1806 O O    . LEU   A 1 122 ? -18.943 -23.16  -33.105 1   46.435 ? 134 LEU   A O    1 ? 1 
ATOM   1807 C CB   . LEU   A 1 122 ? -18.153 -20.389 -32.749 1   37.316 ? 134 LEU   A CB   1 ? 1 
ATOM   1808 C CG   . LEU   A 1 122 ? -19.519 -19.853 -32.27  1   35.615 ? 134 LEU   A CG   1 ? 1 
ATOM   1809 C CD1  . LEU   A 1 122 ? -19.389 -19.53  -30.84  1   33.75  ? 134 LEU   A CD1  1 ? 1 
ATOM   1810 C CD2  . LEU   A 1 122 ? -19.924 -18.544 -33.016 1   38.313 ? 134 LEU   A CD2  1 ? 1 
ATOM   1811 H H    . LEU   A 1 122 ? -16.085 -21.91  -33.45  1   37.708 ? 134 LEU   A H    1 c 1 
ATOM   1812 H HA   . LEU   A 1 122 ? -17.401 -21.35  -31.08  1   36.166 ? 134 LEU   A HA   1 c 1 
ATOM   1813 H HB2  . LEU   A 1 122 ? -17.503 -19.65  -32.7   1   35.272 ? 134 LEU   A HB2  1 c 1 
ATOM   1814 H HB3  . LEU   A 1 122 ? -18.234 -20.618 -33.703 1   37.943 ? 134 LEU   A HB3  1 c 1 
ATOM   1815 H HG   . LEU   A 1 122 ? -20.214 -20.549 -32.4   1   38.065 ? 134 LEU   A HG   1 c 1 
ATOM   1816 H HD11 . LEU   A 1 122 ? -19.353 -20.351 -30.322 1   34.686 ? 134 LEU   A HD11 1 c 1 
ATOM   1817 H HD12 . LEU   A 1 122 ? -20.155 -19.004 -30.553 1   34.054 ? 134 LEU   A HD12 1 c 1 
ATOM   1818 H HD13 . LEU   A 1 122 ? -18.575 -19.019 -30.693 1   32.528 ? 134 LEU   A HD13 1 c 1 
ATOM   1819 H HD21 . LEU   A 1 122 ? -20.189 -18.757 -33.925 1   38.612 ? 134 LEU   A HD21 1 c 1 
ATOM   1820 H HD22 . LEU   A 1 122 ? -19.167 -17.934 -33.036 1   36.023 ? 134 LEU   A HD22 1 c 1 
ATOM   1821 H HD23 . LEU   A 1 122 ? -20.667 -18.12  -32.556 1   37.37  ? 134 LEU   A HD23 1 c 1 
ATOM   1822 N N    . LEU   A 1 123 ? -18.799 -23.354 -30.896 1   40.366 ? 135 LEU   A N    1 ? 1 
ATOM   1823 C CA   . LEU   A 1 123 ? -19.666 -24.536 -30.86  1   48.911 ? 135 LEU   A CA   1 ? 1 
ATOM   1824 C C    . LEU   A 1 123 ? -21.141 -24.136 -30.975 1   47.648 ? 135 LEU   A C    1 ? 1 
ATOM   1825 O O    . LEU   A 1 123 ? -21.898 -24.737 -31.686 1   51.56  ? 135 LEU   A O    1 ? 1 
ATOM   1826 C CB   . LEU   A 1 123 ? -19.402 -25.276 -29.559 1   50.127 ? 135 LEU   A CB   1 ? 1 
ATOM   1827 C CG   . LEU   A 1 123 ? -17.954 -25.72  -29.374 1   52.913 ? 135 LEU   A CG   1 ? 1 
ATOM   1828 C CD1  . LEU   A 1 123 ? -17.683 -26.121 -27.963 1   55.144 ? 135 LEU   A CD1  1 ? 1 
ATOM   1829 C CD2  . LEU   A 1 123 ? -17.699 -26.832 -30.318 1   55.962 ? 135 LEU   A CD2  1 ? 1 
ATOM   1830 H H    . LEU   A 1 123 ? -18.496 -22.997 -30.111 1   40.35  ? 135 LEU   A H    1 c 1 
ATOM   1831 H HA   . LEU   A 1 123 ? -19.434 -25.123 -31.623 1   48.749 ? 135 LEU   A HA   1 c 1 
ATOM   1832 H HB2  . LEU   A 1 123 ? -19.649 -24.685 -28.81  1   49.671 ? 135 LEU   A HB2  1 c 1 
ATOM   1833 H HB3  . LEU   A 1 123 ? -19.985 -26.07  -29.529 1   52.962 ? 135 LEU   A HB3  1 c 1 
ATOM   1834 H HG   . LEU   A 1 123 ? -17.356 -24.964 -29.607 1   50.681 ? 135 LEU   A HG   1 c 1 
ATOM   1835 H HD11 . LEU   A 1 123 ? -17.973 -25.412 -27.365 1   53.217 ? 135 LEU   A HD11 1 c 1 
ATOM   1836 H HD12 . LEU   A 1 123 ? -16.731 -26.273 -27.845 1   53.977 ? 135 LEU   A HD12 1 c 1 
ATOM   1837 H HD13 . LEU   A 1 123 ? -18.169 -26.937 -27.757 1   56.669 ? 135 LEU   A HD13 1 c 1 
ATOM   1838 H HD21 . LEU   A 1 123 ? -17.591 -26.478 -31.216 1   55.322 ? 135 LEU   A HD21 1 c 1 
ATOM   1839 H HD22 . LEU   A 1 123 ? -18.448 -27.451 -30.303 1   57.754 ? 135 LEU   A HD22 1 c 1 
ATOM   1840 H HD23 . LEU   A 1 123 ? -16.888 -27.3   -30.057 1   56.012 ? 135 LEU   A HD23 1 c 1 
ATOM   1841 N N    . ASP   A 1 124 ? -21.535 -23.076 -30.272 1   48.73  ? 136 ASP   A N    1 ? 1 
ATOM   1842 C CA   . ASP   A 1 124 ? -22.926 -22.686 -30.169 1   48.259 ? 136 ASP   A CA   1 ? 1 
ATOM   1843 C C    . ASP   A 1 124 ? -23.002 -21.303 -29.506 1   46.045 ? 136 ASP   A C    1 ? 1 
ATOM   1844 O O    . ASP   A 1 124 ? -22.076 -20.895 -28.81  1   42.555 ? 136 ASP   A O    1 ? 1 
ATOM   1845 C CB   . ASP   A 1 124 ? -23.74  -23.747 -29.441 1   50.364 ? 136 ASP   A CB   1 ? 1 
ATOM   1846 C CG   . ASP   A 1 124 ? -25.248 -23.717 -29.675 1   55.864 ? 136 ASP   A CG   1 ? 1 
ATOM   1847 O OD1  . ASP   A 1 124 ? -25.735 -22.935 -30.53  1   50.795 ? 136 ASP   A OD1  1 ? 1 
ATOM   1848 O OD2  . ASP   A 1 124 ? -25.948 -24.517 -29.028 1   63.081 ? 136 ASP   A OD2  1 ? 1 
ATOM   1849 H H    . ASP   A 1 124 ? -20.908 -22.577 -29.833 1   45.931 ? 136 ASP   A H    1 c 1 
ATOM   1850 H HA   . ASP   A 1 124 ? -23.287 -22.61  -31.081 1   49.131 ? 136 ASP   A HA   1 c 1 
ATOM   1851 H HB2  . ASP   A 1 124 ? -23.422 -24.638 -29.692 1   52.422 ? 136 ASP   A HB2  1 c 1 
ATOM   1852 H HB3  . ASP   A 1 124 ? -23.588 -23.642 -28.478 1   50.652 ? 136 ASP   A HB3  1 c 1 
ATOM   1853 N N    . PHE   A 1 125 ? -24.113 -20.59  -29.757 1   43.685 ? 137 PHE   A N    1 ? 1 
ATOM   1854 C CA   . PHE   A 1 125 ? -24.519 -19.44  -28.974 1   40.322 ? 137 PHE   A CA   1 ? 1 
ATOM   1855 C C    . PHE   A 1 125 ? -26.034 -19.359 -28.849 1   41.862 ? 137 PHE   A C    1 ? 1 
ATOM   1856 O O    . PHE   A 1 125 ? -26.776 -19.821 -29.693 1   42.511 ? 137 PHE   A O    1 ? 1 
ATOM   1857 C CB   . PHE   A 1 125 ? -23.936 -18.167 -29.57  1   39.213 ? 137 PHE   A CB   1 ? 1 
ATOM   1858 C CG   . PHE   A 1 125 ? -24.239 -17.878 -31.019 1   42.994 ? 137 PHE   A CG   1 ? 1 
ATOM   1859 C CD1  . PHE   A 1 125 ? -25.357 -17.123 -31.368 1   43.228 ? 137 PHE   A CD1  1 ? 1 
ATOM   1860 C CD2  . PHE   A 1 125 ? -23.434 -18.379 -32.031 1   46.577 ? 137 PHE   A CD2  1 ? 1 
ATOM   1861 C CE1  . PHE   A 1 125 ? -25.659 -16.857 -32.703 1   44.976 ? 137 PHE   A CE1  1 ? 1 
ATOM   1862 C CE2  . PHE   A 1 125 ? -23.77  -18.147 -33.361 1   50.566 ? 137 PHE   A CE2  1 ? 1 
ATOM   1863 C CZ   . PHE   A 1 125 ? -24.859 -17.361 -33.696 1   47.63  ? 137 PHE   A CZ   1 ? 1 
ATOM   1864 H H    . PHE   A 1 125 ? -24.641 -20.84  -30.46  1   45.138 ? 137 PHE   A H    1 c 1 
ATOM   1865 H HA   . PHE   A 1 125 ? -24.144 -19.55  -28.064 1   40.355 ? 137 PHE   A HA   1 c 1 
ATOM   1866 H HB2  . PHE   A 1 125 ? -24.255 -17.408 -29.031 1   39.317 ? 137 PHE   A HB2  1 c 1 
ATOM   1867 H HB3  . PHE   A 1 125 ? -22.96  -18.201 -29.46  1   38.28  ? 137 PHE   A HB3  1 c 1 
ATOM   1868 H HD1  . PHE   A 1 125 ? -25.906 -16.768 -30.688 1   43.997 ? 137 PHE   A HD1  1 c 1 
ATOM   1869 H HD2  . PHE   A 1 125 ? -22.69  -18.919 -31.817 1   45.584 ? 137 PHE   A HD2  1 c 1 
ATOM   1870 H HE1  . PHE   A 1 125 ? -26.415 -16.335 -32.92  1   46.499 ? 137 PHE   A HE1  1 c 1 
ATOM   1871 H HE2  . PHE   A 1 125 ? -23.21  -18.479 -34.045 1   48.914 ? 137 PHE   A HE2  1 c 1 
ATOM   1872 H HZ   . PHE   A 1 125 ? -25.064 -17.193 -34.601 1   48.703 ? 137 PHE   A HZ   1 c 1 
ATOM   1873 N N    . LYS   A 1 126 ? -26.492 -18.711 -27.792 1   43.257 ? 138 LYS   A N    1 ? 1 
ATOM   1874 C CA   . LYS   A 1 126 ? -27.887 -18.705 -27.439 1   50.285 ? 138 LYS   A CA   1 ? 1 
ATOM   1875 C C    . LYS   A 1 126 ? -28.138 -17.4   -26.701 1   50.776 ? 138 LYS   A C    1 ? 1 
ATOM   1876 O O    . LYS   A 1 126 ? -27.301 -16.95  -25.937 1   48.041 ? 138 LYS   A O    1 ? 1 
ATOM   1877 C CB   . LYS   A 1 126 ? -28.395 -19.834 -26.526 1   49.939 ? 138 LYS   A CB   1 ? 1 
ATOM   1878 H H    . LYS   A 1 126 ? -25.904 -18.251 -27.264 1   42.444 ? 138 LYS   A H    1 c 1 
ATOM   1879 H HA   . LYS   A 1 126 ? -28.422 -18.704 -28.273 1   49.955 ? 138 LYS   A HA   1 c 1 
ATOM   1880 H HB2  . LYS   A 1 126 ? -27.534 -20.377 -26.232 0   30     ? 138 LYS   A HB2  1 c 1 
ATOM   1881 H HB3  . LYS   A 1 126 ? -29.311 -19.935 -26.553 0   30     ? 138 LYS   A HB3  1 c 1 
ATOM   1882 N N    . GLY   A 1 127 ? -29.371 -16.915 -26.833 1   56.875 ? 139 GLY   A N    1 ? 1 
ATOM   1883 C CA   . GLY   A 1 127 ? -29.825 -15.7   -26.188 1   56.058 ? 139 GLY   A CA   1 ? 1 
ATOM   1884 C C    . GLY   A 1 127 ? -29.841 -15.833 -24.672 1   60.99  ? 139 GLY   A C    1 ? 1 
ATOM   1885 O O    . GLY   A 1 127 ? -30.007 -16.93  -24.132 1   64.779 ? 139 GLY   A O    1 ? 1 
ATOM   1886 H H    . GLY   A 1 127 ? -29.965 -17.369 -27.359 1   56.98  ? 139 GLY   A H    1 c 1 
ATOM   1887 H HA2  . GLY   A 1 127 ? -29.234 -14.956 -26.45  1   55.441 ? 139 GLY   A HA2  1 c 1 
ATOM   1888 H HA3  . GLY   A 1 127 ? -30.729 -15.496 -26.505 1   58.875 ? 139 GLY   A HA3  1 c 1 
ATOM   1889 N N    . GLU   A 1 128 ? -29.581 -14.704 -24.016 1   64.81  ? 140 GLU   A N    1 ? 1 
ATOM   1890 C CA   . GLU   A 1 128 ? -29.845 -14.468 -22.605 1   75.602 ? 140 GLU   A CA   1 ? 1 
ATOM   1891 C C    . GLU   A 1 128 ? -31.268 -14.944 -22.261 1   75.602 ? 140 GLU   A C    1 ? 1 
ATOM   1892 O O    . GLU   A 1 128 ? -32.154 -14.906 -23.153 1   78.721 ? 140 GLU   A O    1 ? 1 
ATOM   1893 C CB   . GLU   A 1 128 ? -29.58  -12.988 -22.269 1   78.349 ? 140 GLU   A CB   1 ? 1 
ATOM   1894 O OXT  . GLU   A 1 128 ? -31.451 -15.338 -21.104 1   84.763 ? 140 GLU   A OXT  1 ? 1 
ATOM   1895 H H    . GLU   A 1 128 ? -29.202 -14.022 -24.492 1   64.032 ? 140 GLU   A H    1 c 1 
ATOM   1896 H HA   . GLU   A 1 128 ? -29.205 -15.016 -22.082 1   72.936 ? 140 GLU   A HA   1 c 1 
ATOM   1897 H HB2  . GLU   A 1 128 ? -28.402 -13.326 -21.986 0   30     ? 140 GLU   A HB2  1 c 1 
ATOM   1898 H HB3  . GLU   A 1 128 ? -30.176 -12.817 -21.777 0   30     ? 140 GLU   A HB3  1 c 1 
ATOM   1899 N N    . GLY   B 1 1   ? -2.879  5.034   3.367   1   48.675 ? 13  GLY   B N    1 ? 2 
ATOM   1900 C CA   . GLY   B 1 1   ? -4.105  5.829   3.283   1   43.823 ? 13  GLY   B CA   1 ? 2 
ATOM   1901 C C    . GLY   B 1 1   ? -5.361  4.957   3.353   1   46.515 ? 13  GLY   B C    1 ? 2 
ATOM   1902 O O    . GLY   B 1 1   ? -5.367  3.861   3.94    1   40.73  ? 13  GLY   B O    1 ? 2 
ATOM   1903 H H1   . GLY   B 1 1   ? -2.156  5.565   3.244   1   49.256 ? 13  GLY   B H1   1 c 2 
ATOM   1904 H H2   . GLY   B 1 1   ? -2.881  4.391   2.73    1   46.279 ? 13  GLY   B H2   1 c 2 
ATOM   1905 H H3   . GLY   B 1 1   ? -2.82   4.641   4.18    1   47.488 ? 13  GLY   B H3   1 c 2 
ATOM   1906 H HA2  . GLY   B 1 1   ? -4.116  6.481   4.023   1   47.189 ? 13  GLY   B HA2  1 c 2 
ATOM   1907 H HA3  . GLY   B 1 1   ? -4.101  6.334   2.436   1   46.181 ? 13  GLY   B HA3  1 c 2 
ATOM   1908 N N    . ALA   B 1 2   ? -6.453  5.499   2.805   1   41.385 ? 14  ALA   B N    1 ? 2 
ATOM   1909 C CA   . ALA   B 1 2   ? -7.763  4.89    2.971   1   38.526 ? 14  ALA   B CA   1 ? 2 
ATOM   1910 C C    . ALA   B 1 2   ? -7.746  3.405   2.571   1   37.106 ? 14  ALA   B C    1 ? 2 
ATOM   1911 O O    . ALA   B 1 2   ? -8.385  2.579   3.225   1   34.6   ? 14  ALA   B O    1 ? 2 
ATOM   1912 C CB   . ALA   B 1 2   ? -8.743  5.737   2.184   1   40.367 ? 14  ALA   B CB   1 ? 2 
ATOM   1913 H H    . ALA   B 1 2   ? -6.38   6.27    2.319   1   43.041 ? 14  ALA   B H    1 c 2 
ATOM   1914 H HA   . ALA   B 1 2   ? -8.003  4.941   3.937   1   39.474 ? 14  ALA   B HA   1 c 2 
ATOM   1915 H HB1  . ALA   B 1 2   ? -8.845  6.602   2.616   1   40.958 ? 14  ALA   B HB1  1 c 2 
ATOM   1916 H HB2  . ALA   B 1 2   ? -8.415  5.869   1.28    1   39.885 ? 14  ALA   B HB2  1 c 2 
ATOM   1917 H HB3  . ALA   B 1 2   ? -9.606  5.292   2.152   1   38.341 ? 14  ALA   B HB3  1 c 2 
ATOM   1918 N N    . PRO   B 1 3   ? -7.195  2.984   1.418   1   35.844 ? 15  PRO   B N    1 ? 2 
ATOM   1919 C CA   . PRO   B 1 3   ? -7.253  1.561   1.051   1   34.424 ? 15  PRO   B CA   1 ? 2 
ATOM   1920 C C    . PRO   B 1 3   ? -6.638  0.587   2.077   1   33.665 ? 15  PRO   B C    1 ? 2 
ATOM   1921 O O    . PRO   B 1 3   ? -7.255  -0.426  2.431   1   33.316 ? 15  PRO   B O    1 ? 2 
ATOM   1922 C CB   . PRO   B 1 3   ? -6.49   1.526   -0.264  1   36.043 ? 15  PRO   B CB   1 ? 2 
ATOM   1923 C CG   . PRO   B 1 3   ? -6.738  2.902   -0.839  1   41.74  ? 15  PRO   B CG   1 ? 2 
ATOM   1924 C CD   . PRO   B 1 3   ? -6.648  3.834   0.346   1   40.336 ? 15  PRO   B CD   1 ? 2 
ATOM   1925 H HA   . PRO   B 1 3   ? -8.186  1.31    0.887   1   33.201 ? 15  PRO   B HA   1 c 2 
ATOM   1926 H HB2  . PRO   B 1 3   ? -5.537  1.375   -0.114  1   37.819 ? 15  PRO   B HB2  1 c 2 
ATOM   1927 H HB3  . PRO   B 1 3   ? -6.839  0.83    -0.854  1   35.692 ? 15  PRO   B HB3  1 c 2 
ATOM   1928 H HG2  . PRO   B 1 3   ? -6.061  3.128   -1.508  1   40.964 ? 15  PRO   B HG2  1 c 2 
ATOM   1929 H HG3  . PRO   B 1 3   ? -7.622  2.954   -1.252  1   38.979 ? 15  PRO   B HG3  1 c 2 
ATOM   1930 H HD2  . PRO   B 1 3   ? -5.725  4.09    0.537   1   41.624 ? 15  PRO   B HD2  1 c 2 
ATOM   1931 H HD3  . PRO   B 1 3   ? -7.19   4.632   0.214   1   40.376 ? 15  PRO   B HD3  1 c 2 
ATOM   1932 N N    . ALA   B 1 4   ? -5.481  0.978   2.62    1   33.585 ? 16  ALA   B N    1 ? 2 
ATOM   1933 C CA   . ALA   B 1 4   ? -4.761  0.222   3.624   1   39.118 ? 16  ALA   B CA   1 ? 2 
ATOM   1934 C C    . ALA   B 1 4   ? -5.644  0.169   4.881   1   37.362 ? 16  ALA   B C    1 ? 2 
ATOM   1935 O O    . ALA   B 1 4   ? -5.703  -0.864  5.523   1   34.551 ? 16  ALA   B O    1 ? 2 
ATOM   1936 C CB   . ALA   B 1 4   ? -3.394  0.84    3.889   1   41.462 ? 16  ALA   B CB   1 ? 2 
ATOM   1937 H H    . ALA   B 1 4   ? -5.118  1.768   2.338   1   36.098 ? 16  ALA   B H    1 c 2 
ATOM   1938 H HA   . ALA   B 1 4   ? -4.641  -0.709  3.287   1   37.158 ? 16  ALA   B HA   1 c 2 
ATOM   1939 H HB1  . ALA   B 1 4   ? -2.87   0.84    3.07    1   41.858 ? 16  ALA   B HB1  1 c 2 
ATOM   1940 H HB2  . ALA   B 1 4   ? -3.502  1.754   4.201   1   42.366 ? 16  ALA   B HB2  1 c 2 
ATOM   1941 H HB3  . ALA   B 1 4   ? -2.927  0.323   4.567   1   42.315 ? 16  ALA   B HB3  1 c 2 
ATOM   1942 N N    . THR   B 1 5   ? -6.329  1.273   5.229   1   35.641 ? 17  THR   B N    1 ? 2 
ATOM   1943 C CA   . THR   B 1 5   ? -7.175  1.277   6.402   1   31.289 ? 17  THR   B CA   1 ? 2 
ATOM   1944 C C    . THR   B 1 5   ? -8.312  0.263   6.22    1   31.171 ? 17  THR   B C    1 ? 2 
ATOM   1945 O O    . THR   B 1 5   ? -8.764  -0.347  7.177   1   32.892 ? 17  THR   B O    1 ? 2 
ATOM   1946 C CB   . THR   B 1 5   ? -7.678  2.695   6.683   1   36.45  ? 17  THR   B CB   1 ? 2 
ATOM   1947 O OG1  . THR   B 1 5   ? -6.462  3.391   6.964   1   42.302 ? 17  THR   B OG1  1 ? 2 
ATOM   1948 C CG2  . THR   B 1 5   ? -8.609  2.791   7.877   1   37.792 ? 17  THR   B CG2  1 ? 2 
ATOM   1949 H H    . THR   B 1 5   ? -6.259  2.033   4.727   1   35.366 ? 17  THR   B H    1 c 2 
ATOM   1950 H HA   . THR   B 1 5   ? -6.63   0.992   7.167   1   34.355 ? 17  THR   B HA   1 c 2 
ATOM   1951 H HB   . THR   B 1 5   ? -8.107  3.077   5.88    1   35.654 ? 17  THR   B HB   1 c 2 
ATOM   1952 H HG1  . THR   B 1 5   ? -6.058  3.048   7.623   0   30     ? 17  THR   B HG1  1 c 2 
ATOM   1953 H HG21 . THR   B 1 5   ? -8.686  3.719   8.155   1   38.621 ? 17  THR   B HG21 1 c 2 
ATOM   1954 H HG22 . THR   B 1 5   ? -8.251  2.263   8.611   1   38.18  ? 17  THR   B HG22 1 c 2 
ATOM   1955 H HG23 . THR   B 1 5   ? -9.487  2.453   7.634   1   36.184 ? 17  THR   B HG23 1 c 2 
ATOM   1956 N N    . VAL   B 1 6   ? -8.86   0.168   5       1   30.918 ? 18  VAL   B N    1 ? 2 
ATOM   1957 C CA   . VAL   B 1 6   ? -9.956  -0.77   4.773   1   28.113 ? 18  VAL   B CA   1 ? 2 
ATOM   1958 C C    . VAL   B 1 6   ? -9.402  -2.192  4.875   1   31.677 ? 18  VAL   B C    1 ? 2 
ATOM   1959 O O    . VAL   B 1 6   ? -10.047 -3.076  5.45    1   29.141 ? 18  VAL   B O    1 ? 2 
ATOM   1960 C CB   . VAL   B 1 6   ? -10.679 -0.558  3.436   1   27.49  ? 18  VAL   B CB   1 ? 2 
ATOM   1961 C CG1  . VAL   B 1 6   ? -11.701 -1.659  3.308   1   27.167 ? 18  VAL   B CG1  1 ? 2 
ATOM   1962 C CG2  . VAL   B 1 6   ? -11.29  0.845   3.357   1   32.546 ? 18  VAL   B CG2  1 ? 2 
ATOM   1963 H H    . VAL   B 1 6   ? -8.559  0.686   4.31    1   30.482 ? 18  VAL   B H    1 c 2 
ATOM   1964 H HA   . VAL   B 1 6   ? -10.608 -0.649  5.488   1   29.366 ? 18  VAL   B HA   1 c 2 
ATOM   1965 H HB   . VAL   B 1 6   ? -10.012 -0.657  2.717   1   28.276 ? 18  VAL   B HB   1 c 2 
ATOM   1966 H HG11 . VAL   B 1 6   ? -12.104 -1.837  4.175   1   27.224 ? 18  VAL   B HG11 1 c 2 
ATOM   1967 H HG12 . VAL   B 1 6   ? -11.272 -2.467  2.978   1   26.625 ? 18  VAL   B HG12 1 c 2 
ATOM   1968 H HG13 . VAL   B 1 6   ? -12.394 -1.386  2.682   1   26.373 ? 18  VAL   B HG13 1 c 2 
ATOM   1969 H HG21 . VAL   B 1 6   ? -11.734 0.958   2.5     1   30.462 ? 18  VAL   B HG21 1 c 2 
ATOM   1970 H HG22 . VAL   B 1 6   ? -10.59  1.511   3.447   1   32.055 ? 18  VAL   B HG22 1 c 2 
ATOM   1971 H HG23 . VAL   B 1 6   ? -11.937 0.958   4.074   1   31.28  ? 18  VAL   B HG23 1 c 2 
ATOM   1972 N N    . THR   B 1 7   ? -8.219  -2.455  4.316   1   31.401 ? 19  THR   B N    1 ? 2 
ATOM   1973 C CA   . THR   B 1 7   ? -7.597  -3.775  4.476   1   33.758 ? 19  THR   B CA   1 ? 2 
ATOM   1974 C C    . THR   B 1 7   ? -7.536  -4.159  5.961   1   35.473 ? 19  THR   B C    1 ? 2 
ATOM   1975 O O    . THR   B 1 7   ? -7.904  -5.266  6.335   1   33.433 ? 19  THR   B O    1 ? 2 
ATOM   1976 C CB   . THR   B 1 7   ? -6.201  -3.813  3.862   1   32.689 ? 19  THR   B CB   1 ? 2 
ATOM   1977 O OG1  . THR   B 1 7   ? -6.447  -3.641  2.469   1   32.589 ? 19  THR   B OG1  1 ? 2 
ATOM   1978 C CG2  . THR   B 1 7   ? -5.453  -5.114  4.101   1   34.019 ? 19  THR   B CG2  1 ? 2 
ATOM   1979 H H    . THR   B 1 7   ? -7.79   -1.815  3.822   1   32.301 ? 19  THR   B H    1 c 2 
ATOM   1980 H HA   . THR   B 1 7   ? -8.157  -4.432  4.009   1   32.043 ? 19  THR   B HA   1 c 2 
ATOM   1981 H HB   . THR   B 1 7   ? -5.662  -3.058  4.197   1   34.428 ? 19  THR   B HB   1 c 2 
ATOM   1982 H HG1  . THR   B 1 7   ? -6.922  -4.263  2.17    0   30     ? 19  THR   B HG1  1 c 2 
ATOM   1983 H HG21 . THR   B 1 7   ? -4.757  -5.216  3.431   1   34.233 ? 19  THR   B HG21 1 c 2 
ATOM   1984 H HG22 . THR   B 1 7   ? -6.073  -5.861  4.04    1   33.032 ? 19  THR   B HG22 1 c 2 
ATOM   1985 H HG23 . THR   B 1 7   ? -5.05   -5.1    4.986   1   35.04  ? 19  THR   B HG23 1 c 2 
ATOM   1986 N N    . GLU   B 1 8   ? -7.098  -3.239  6.787   1   34.711 ? 20  GLU   B N    1 ? 2 
ATOM   1987 C CA   . GLU   B 1 8   ? -6.807  -3.508  8.198   1   35.287 ? 20  GLU   B CA   1 ? 2 
ATOM   1988 C C    . GLU   B 1 8   ? -8.09   -3.598  9.021   1   37.166 ? 20  GLU   B C    1 ? 2 
ATOM   1989 O O    . GLU   B 1 8   ? -8.135  -4.31   10.029  1   36.476 ? 20  GLU   B O    1 ? 2 
ATOM   1990 C CB   . GLU   B 1 8   ? -5.854  -2.433  8.728   1   42.496 ? 20  GLU   B CB   1 ? 2 
ATOM   1991 C CG   . GLU   B 1 8   ? -4.496  -2.468  7.988   1   48.219 ? 20  GLU   B CG   1 ? 2 
ATOM   1992 C CD   . GLU   B 1 8   ? -3.535  -1.324  8.365   1   59.026 ? 20  GLU   B CD   1 ? 2 
ATOM   1993 O OE1  . GLU   B 1 8   ? -3.768  -0.744  9.459   1   69.512 ? 20  GLU   B OE1  1 ? 2 
ATOM   1994 O OE2  . GLU   B 1 8   ? -2.599  -0.978  7.571   1   59.477 ? 20  GLU   B OE2  1 ? 2 
ATOM   1995 H H    . GLU   B 1 8   ? -6.965  -2.391  6.472   1   35.186 ? 20  GLU   B H    1 c 2 
ATOM   1996 H HA   . GLU   B 1 8   ? -6.342  -4.382  8.254   1   37.181 ? 20  GLU   B HA   1 c 2 
ATOM   1997 H HB2  . GLU   B 1 8   ? -6.269  -1.553  8.614   1   41.961 ? 20  GLU   B HB2  1 c 2 
ATOM   1998 H HB3  . GLU   B 1 8   ? -5.711  -2.577  9.687   1   43.6   ? 20  GLU   B HB3  1 c 2 
ATOM   1999 H HG2  . GLU   B 1 8   ? -4.052  -3.321  8.182   1   49.228 ? 20  GLU   B HG2  1 c 2 
ATOM   2000 H HG3  . GLU   B 1 8   ? -4.655  -2.435  7.022   1   47.301 ? 20  GLU   B HG3  1 c 2 
ATOM   2001 N N    . GLN   B 1 9   ? -9.117  -2.791  8.7     1   36.561 ? 21  GLN   B N    1 ? 2 
ATOM   2002 C CA   . GLN   B 1 9   ? -10.163 -2.509  9.664   1   34.772 ? 21  GLN   B CA   1 ? 2 
ATOM   2003 C C    . GLN   B 1 9   ? -11.552 -2.771  9.095   1   31.663 ? 21  GLN   B C    1 ? 2 
ATOM   2004 O O    . GLN   B 1 9   ? -12.509 -2.679  9.843   1   34.128 ? 21  GLN   B O    1 ? 2 
ATOM   2005 C CB   . GLN   B 1 9   ? -10.241 -1.057  10.122  1   36.66  ? 21  GLN   B CB   1 ? 2 
ATOM   2006 C CG   . GLN   B 1 9   ? -8.959  -0.595  10.78   1   39.366 ? 21  GLN   B CG   1 ? 2 
ATOM   2007 C CD   . GLN   B 1 9   ? -9.031  0.839   11.246  1   42.219 ? 21  GLN   B CD   1 ? 2 
ATOM   2008 O OE1  . GLN   B 1 9   ? -10.075 1.506   11.236  1   44.281 ? 21  GLN   B OE1  1 ? 2 
ATOM   2009 N NE2  . GLN   B 1 9   ? -7.88   1.342   11.593  1   43.696 ? 21  GLN   B NE2  1 ? 2 
ATOM   2010 H H    . GLN   B 1 9   ? -9.143  -2.388  7.88    1   35.013 ? 21  GLN   B H    1 c 2 
ATOM   2011 H HA   . GLN   B 1 9   ? -10.032 -3.087  10.457  1   36.077 ? 21  GLN   B HA   1 c 2 
ATOM   2012 H HB2  . GLN   B 1 9   ? -10.43  -0.485  9.349   1   35.751 ? 21  GLN   B HB2  1 c 2 
ATOM   2013 H HB3  . GLN   B 1 9   ? -10.98  -0.958  10.759  1   37.081 ? 21  GLN   B HB3  1 c 2 
ATOM   2014 H HG2  . GLN   B 1 9   ? -8.764  -1.17   11.551  1   40.547 ? 21  GLN   B HG2  1 c 2 
ATOM   2015 H HG3  . GLN   B 1 9   ? -8.217  -0.685  10.144  1   39.266 ? 21  GLN   B HG3  1 c 2 
ATOM   2016 H HE21 . GLN   B 1 9   ? -7.683  2.181   11.384  1   44.37  ? 21  GLN   B HE21 1 c 2 
ATOM   2017 H HE22 . GLN   B 1 9   ? -7.294  0.845   12.037  1   44.732 ? 21  GLN   B HE22 1 c 2 
ATOM   2018 N N    . GLY   B 1 10  ? -11.659 -2.977  7.778   1   30.645 ? 22  GLY   B N    1 ? 2 
ATOM   2019 C CA   . GLY   B 1 10  ? -12.976 -3.116  7.171   1   28.823 ? 22  GLY   B CA   1 ? 2 
ATOM   2020 C C    . GLY   B 1 10  ? -13.642 -4.448  7.513   1   25.924 ? 22  GLY   B C    1 ? 2 
ATOM   2021 O O    . GLY   B 1 10  ? -12.977 -5.488  7.757   1   26.731 ? 22  GLY   B O    1 ? 2 
ATOM   2022 H H    . GLY   B 1 10  ? -10.916 -3.04   7.251   1   30.223 ? 22  GLY   B H    1 c 2 
ATOM   2023 H HA2  . GLY   B 1 10  ? -13.548 -2.374  7.478   1   28.634 ? 22  GLY   B HA2  1 c 2 
ATOM   2024 H HA3  . GLY   B 1 10  ? -12.885 -3.04   6.192   1   27.351 ? 22  GLY   B HA3  1 c 2 
ATOM   2025 N N    . GLU   B 1 11  ? -14.977 -4.378  7.452   1   27.508 ? 23  GLU   B N    1 ? 2 
ATOM   2026 C CA   . GLU   B 1 11  ? -15.832 -5.544  7.596   1   29.859 ? 23  GLU   B CA   1 ? 2 
ATOM   2027 C C    . GLU   B 1 11  ? -15.901 -6.279  6.262   1   26.405 ? 23  GLU   B C    1 ? 2 
ATOM   2028 O O    . GLU   B 1 11  ? -16.094 -5.68   5.203   1   26.738 ? 23  GLU   B O    1 ? 2 
ATOM   2029 C CB   . GLU   B 1 11  ? -17.205 -5.003  8.014   1   31.399 ? 23  GLU   B CB   1 ? 2 
ATOM   2030 C CG   . GLU   B 1 11  ? -18.21  -6.137  8.155   1   40.435 ? 23  GLU   B CG   1 ? 2 
ATOM   2031 C CD   . GLU   B 1 11  ? -19.593 -5.64   8.534   1   49.266 ? 23  GLU   B CD   1 ? 2 
ATOM   2032 O OE1  . GLU   B 1 11  ? -19.75  -4.426  8.709   1   48.978 ? 23  GLU   B OE1  1 ? 2 
ATOM   2033 O OE2  . GLU   B 1 11  ? -20.477 -6.489  8.623   1   50.221 ? 23  GLU   B OE2  1 ? 2 
ATOM   2034 H H    . GLU   B 1 11  ? -15.37  -3.565  7.311   1   27.488 ? 23  GLU   B H    1 c 2 
ATOM   2035 H HA   . GLU   B 1 11  ? -15.46  -6.139  8.295   1   30.046 ? 23  GLU   B HA   1 c 2 
ATOM   2036 H HB2  . GLU   B 1 11  ? -17.116 -4.525  8.865   1   33.931 ? 23  GLU   B HB2  1 c 2 
ATOM   2037 H HB3  . GLU   B 1 11  ? -17.518 -4.365  7.339   1   32.217 ? 23  GLU   B HB3  1 c 2 
ATOM   2038 H HG2  . GLU   B 1 11  ? -18.274 -6.626  7.307   1   38.894 ? 23  GLU   B HG2  1 c 2 
ATOM   2039 H HG3  . GLU   B 1 11  ? -17.899 -6.762  8.844   1   40.676 ? 23  GLU   B HG3  1 c 2 
ATOM   2040 N N    . ASP   B 1 12  ? -15.854 -7.606  6.309   1   27.65  ? 24  ASP   B N    1 ? 2 
ATOM   2041 C CA   . ASP   B 1 12  ? -16.078 -8.457  5.137   1   24.822 ? 24  ASP   B CA   1 ? 2 
ATOM   2042 C C    . ASP   B 1 12  ? -17.571 -8.645  4.962   1   28.008 ? 24  ASP   B C    1 ? 2 
ATOM   2043 O O    . ASP   B 1 12  ? -18.231 -9.269  5.81    1   30.368 ? 24  ASP   B O    1 ? 2 
ATOM   2044 C CB   . ASP   B 1 12  ? -15.402 -9.775  5.37    1   26.66  ? 24  ASP   B CB   1 ? 2 
ATOM   2045 C CG   . ASP   B 1 12  ? -15.468 -10.722 4.183   1   27.078 ? 24  ASP   B CG   1 ? 2 
ATOM   2046 O OD1  . ASP   B 1 12  ? -16.192 -10.384 3.228   1   26.668 ? 24  ASP   B OD1  1 ? 2 
ATOM   2047 O OD2  . ASP   B 1 12  ? -14.871 -11.799 4.233   1   29.188 ? 24  ASP   B OD2  1 ? 2 
ATOM   2048 H H    . ASP   B 1 12  ? -15.676 -8.01   7.109   1   27.936 ? 24  ASP   B H    1 c 2 
ATOM   2049 H HA   . ASP   B 1 12  ? -15.701 -8.019  4.342   1   25.103 ? 24  ASP   B HA   1 c 2 
ATOM   2050 H HB2  . ASP   B 1 12  ? -14.459 -9.613  5.581   1   26.711 ? 24  ASP   B HB2  1 c 2 
ATOM   2051 H HB3  . ASP   B 1 12  ? -15.812 -10.217 6.143   1   27.655 ? 24  ASP   B HB3  1 c 2 
ATOM   2052 N N    . ILE   B 1 13  ? -18.121 -8.011  3.925   1   27.033 ? 25  ILE   B N    1 ? 2 
ATOM   2053 C CA   . ILE   B 1 13  ? -19.558 -8.076  3.7     1   26.514 ? 25  ILE   B CA   1 ? 2 
ATOM   2054 C C    . ILE   B 1 13  ? -19.91  -9.136  2.638   1   28.465 ? 25  ILE   B C    1 ? 2 
ATOM   2055 O O    . ILE   B 1 13  ? -21.074 -9.121  2.142   1   31.515 ? 25  ILE   B O    1 ? 2 
ATOM   2056 C CB   . ILE   B 1 13  ? -20.119 -6.696  3.374   1   26.996 ? 25  ILE   B CB   1 ? 2 
ATOM   2057 C CG1  . ILE   B 1 13  ? -19.462 -6.084  2.141   1   27.357 ? 25  ILE   B CG1  1 ? 2 
ATOM   2058 C CG2  . ILE   B 1 13  ? -20.035 -5.783  4.626   1   27.923 ? 25  ILE   B CG2  1 ? 2 
ATOM   2059 C CD1  . ILE   B 1 13  ? -20.196 -4.855  1.646   1   31.695 ? 25  ILE   B CD1  1 ? 2 
ATOM   2060 H H    . ILE   B 1 13  ? -17.595 -7.543  3.342   1   26.07  ? 25  ILE   B H    1 c 2 
ATOM   2061 H HA   . ILE   B 1 13  ? -19.973 -8.36   4.537   1   28.232 ? 25  ILE   B HA   1 c 2 
ATOM   2062 H HB   . ILE   B 1 13  ? -21.067 -6.811  3.165   1   27.713 ? 25  ILE   B HB   1 c 2 
ATOM   2063 H HG12 . ILE   B 1 13  ? -18.54  -5.837  2.359   1   27.551 ? 25  ILE   B HG12 1 c 2 
ATOM   2064 H HG13 . ILE   B 1 13  ? -19.437 -6.751  1.425   1   27.633 ? 25  ILE   B HG13 1 c 2 
ATOM   2065 H HG21 . ILE   B 1 13  ? -20.513 -4.953  4.458   1   27.971 ? 25  ILE   B HG21 1 c 2 
ATOM   2066 H HG22 . ILE   B 1 13  ? -19.104 -5.584  4.822   1   27.534 ? 25  ILE   B HG22 1 c 2 
ATOM   2067 H HG23 . ILE   B 1 13  ? -20.435 -6.235  5.387   1   28.831 ? 25  ILE   B HG23 1 c 2 
ATOM   2068 H HD11 . ILE   B 1 13  ? -21.15  -5.049  1.577   1   30.866 ? 25  ILE   B HD11 1 c 2 
ATOM   2069 H HD12 . ILE   B 1 13  ? -19.853 -4.601  0.769   1   29.746 ? 25  ILE   B HD12 1 c 2 
ATOM   2070 H HD13 . ILE   B 1 13  ? -20.061 -4.118  2.272   1   30.534 ? 25  ILE   B HD13 1 c 2 
ATOM   2071 N N    . THR   B 1 14  ? -18.989 -10.057 2.285   1   25.889 ? 26  THR   B N    1 ? 2 
ATOM   2072 C CA   . THR   B 1 14  ? -19.283 -11.08  1.275   1   26.735 ? 26  THR   B CA   1 ? 2 
ATOM   2073 C C    . THR   B 1 14  ? -20.046 -12.23  1.901   1   31.085 ? 26  THR   B C    1 ? 2 
ATOM   2074 O O    . THR   B 1 14  ? -19.826 -12.529 3.054   1   31.624 ? 26  THR   B O    1 ? 2 
ATOM   2075 C CB   . THR   B 1 14  ? -18.033 -11.623 0.524   1   28.751 ? 26  THR   B CB   1 ? 2 
ATOM   2076 O OG1  . THR   B 1 14  ? -17.184 -12.191 1.523   1   25.457 ? 26  THR   B OG1  1 ? 2 
ATOM   2077 C CG2  . THR   B 1 14  ? -17.306 -10.506 -0.184  1   32.518 ? 26  THR   B CG2  1 ? 2 
ATOM   2078 H H    . THR   B 1 14  ? -18.164 -10.05  2.678   1   26.443 ? 26  THR   B H    1 c 2 
ATOM   2079 H HA   . THR   B 1 14  ? -19.867 -10.666 0.603   1   27.397 ? 26  THR   B HA   1 c 2 
ATOM   2080 H HB   . THR   B 1 14  ? -18.297 -12.318 -0.124  1   28.703 ? 26  THR   B HB   1 c 2 
ATOM   2081 H HG1  . THR   B 1 14  ? -16.979 -11.606 2.107   0   30     ? 26  THR   B HG1  1 c 2 
ATOM   2082 H HG21 . THR   B 1 14  ? -16.508 -10.857 -0.612  1   30.749 ? 26  THR   B HG21 1 c 2 
ATOM   2083 H HG22 . THR   B 1 14  ? -17.054 -9.823  0.46    1   30.64  ? 26  THR   B HG22 1 c 2 
ATOM   2084 H HG23 . THR   B 1 14  ? -17.888 -10.115 -0.857  1   30.682 ? 26  THR   B HG23 1 c 2 
ATOM   2085 N N    . SER   B 1 15  ? -20.893 -12.925 1.132   1   29.312 ? 27  SER   B N    1 ? 2 
ATOM   2086 C CA   . SER   B 1 15  ? -21.582 -14.088 1.675   1   32.436 ? 27  SER   B CA   1 ? 2 
ATOM   2087 C C    . SER   B 1 15  ? -20.566 -15.21  1.908   1   31.667 ? 27  SER   B C    1 ? 2 
ATOM   2088 O O    . SER   B 1 15  ? -20.71  -16.014 2.814   1   33.957 ? 27  SER   B O    1 ? 2 
ATOM   2089 C CB   . SER   B 1 15  ? -22.667 -14.607 0.748   1   36.26  ? 27  SER   B CB   1 ? 2 
ATOM   2090 O OG   . SER   B 1 15  ? -23.637 -13.585 0.616   1   41.567 ? 27  SER   B OG   1 ? 2 
ATOM   2091 H H    . SER   B 1 15  ? -21.044 -12.675 0.266   1   29.673 ? 27  SER   B H    1 c 2 
ATOM   2092 H HA   . SER   B 1 15  ? -21.991 -13.841 2.544   1   33.088 ? 27  SER   B HA   1 c 2 
ATOM   2093 H HB2  . SER   B 1 15  ? -22.285 -14.82  -0.124  1   36.277 ? 27  SER   B HB2  1 c 2 
ATOM   2094 H HB3  . SER   B 1 15  ? -23.072 -15.408 1.124   1   38.291 ? 27  SER   B HB3  1 c 2 
ATOM   2095 H HG   . SER   B 1 15  ? -24.261 -13.878 0.094   0   30     ? 27  SER   B HG   1 c 2 
ATOM   2096 N N    . LYS   B 1 16  ? -19.593 -15.296 0.986   1   30.31  ? 28  LYS   B N    1 ? 2 
ATOM   2097 C CA   . LYS   B 1 16  ? -18.59  -16.354 1.088   1   34.302 ? 28  LYS   B CA   1 ? 2 
ATOM   2098 C C    . LYS   B 1 16  ? -17.506 -16.079 2.146   1   31.638 ? 28  LYS   B C    1 ? 2 
ATOM   2099 O O    . LYS   B 1 16  ? -16.797 -17.002 2.504   1   30.434 ? 28  LYS   B O    1 ? 2 
ATOM   2100 C CB   . LYS   B 1 16  ? -17.884 -16.547 -0.262  1   35.408 ? 28  LYS   B CB   1 ? 2 
ATOM   2101 C CG   . LYS   B 1 16  ? -18.664 -17.328 -1.276  1   48.392 ? 28  LYS   B CG   1 ? 2 
ATOM   2102 C CD   . LYS   B 1 16  ? -17.684 -18.046 -2.202  1   61.067 ? 28  LYS   B CD   1 ? 2 
ATOM   2103 C CE   . LYS   B 1 16  ? -18.328 -18.673 -3.396  1   75.309 ? 28  LYS   B CE   1 ? 2 
ATOM   2104 N NZ   . LYS   B 1 16  ? -19.064 -17.629 -4.116  1   76.642 ? 28  LYS   B NZ   1 ? 2 
ATOM   2105 H H    . LYS   B 1 16  ? -19.555 -14.704 0.29    1   30.14  ? 28  LYS   B H    1 c 2 
ATOM   2106 H HA   . LYS   B 1 16  ? -19.052 -17.198 1.324   1   35.018 ? 28  LYS   B HA   1 c 2 
ATOM   2107 H HB2  . LYS   B 1 16  ? -17.681 -15.665 -0.64   1   36.086 ? 28  LYS   B HB2  1 c 2 
ATOM   2108 H HB3  . LYS   B 1 16  ? -17.031 -17.006 -0.108  1   37.765 ? 28  LYS   B HB3  1 c 2 
ATOM   2109 H HG2  . LYS   B 1 16  ? -19.233 -17.984 -0.818  1   48.713 ? 28  LYS   B HG2  1 c 2 
ATOM   2110 H HG3  . LYS   B 1 16  ? -19.23  -16.715 -1.792  1   47.246 ? 28  LYS   B HG3  1 c 2 
ATOM   2111 H HD2  . LYS   B 1 16  ? -17.007 -17.403 -2.507  1   59.227 ? 28  LYS   B HD2  1 c 2 
ATOM   2112 H HD3  . LYS   B 1 16  ? -17.22  -18.744 -1.69   1   61.235 ? 28  LYS   B HD3  1 c 2 
ATOM   2113 H HE2  . LYS   B 1 16  ? -17.651 -19.058 -3.982  1   72.746 ? 28  LYS   B HE2  1 c 2 
ATOM   2114 H HE3  . LYS   B 1 16  ? -18.943 -19.375 -3.119  1   73.958 ? 28  LYS   B HE3  1 c 2 
ATOM   2115 H HZ1  . LYS   B 1 16  ? -18.639 -16.831 -4.05   1   73.857 ? 28  LYS   B HZ1  1 c 2 
ATOM   2116 H HZ2  . LYS   B 1 16  ? -19.902 -17.553 -3.78   1   75.732 ? 28  LYS   B HZ2  1 c 2 
ATOM   2117 H HZ3  . LYS   B 1 16  ? -19.122 -17.855 -4.991  1   76.039 ? 28  LYS   B HZ3  1 c 2 
ATOM   2118 N N    . LYS   B 1 17  ? -17.452 -14.904 2.733   1   33.708 ? 29  LYS   B N    1 ? 2 
ATOM   2119 C CA   . LYS   B 1 17  ? -16.448 -14.527 3.714   1   30.308 ? 29  LYS   B CA   1 ? 2 
ATOM   2120 C C    . LYS   B 1 17  ? -15.033 -14.753 3.155   1   31.529 ? 29  LYS   B C    1 ? 2 
ATOM   2121 O O    . LYS   B 1 17  ? -14.163 -15.334 3.805   1   31.907 ? 29  LYS   B O    1 ? 2 
ATOM   2122 C CB   . LYS   B 1 17  ? -16.682 -15.216 5.054   1   33.842 ? 29  LYS   B CB   1 ? 2 
ATOM   2123 C CG   . LYS   B 1 17  ? -17.958 -14.677 5.716   1   37.298 ? 29  LYS   B CG   1 ? 2 
ATOM   2124 C CD   . LYS   B 1 17  ? -17.909 -13.253 6.237   1   41.973 ? 29  LYS   B CD   1 ? 2 
ATOM   2125 C CE   . LYS   B 1 17  ? -19.164 -12.762 7.021   1   54.043 ? 29  LYS   B CE   1 ? 2 
ATOM   2126 N NZ   . LYS   B 1 17  ? -20.013 -12.028 6.053   1   54.986 ? 29  LYS   B NZ   1 ? 2 
ATOM   2127 H H    . LYS   B 1 17  ? -18.078 -14.279 2.506   1   31.577 ? 29  LYS   B H    1 c 2 
ATOM   2128 H HA   . LYS   B 1 17  ? -16.547 -13.557 3.871   1   30.829 ? 29  LYS   B HA   1 c 2 
ATOM   2129 H HB2  . LYS   B 1 17  ? -16.77  -16.184 4.923   1   35.119 ? 29  LYS   B HB2  1 c 2 
ATOM   2130 H HB3  . LYS   B 1 17  ? -15.92  -15.052 5.649   1   34.298 ? 29  LYS   B HB3  1 c 2 
ATOM   2131 H HG2  . LYS   B 1 17  ? -18.69  -14.744 5.065   1   37.543 ? 29  LYS   B HG2  1 c 2 
ATOM   2132 H HG3  . LYS   B 1 17  ? -18.185 -15.272 6.463   1   39.323 ? 29  LYS   B HG3  1 c 2 
ATOM   2133 H HD2  . LYS   B 1 17  ? -17.124 -13.17  6.822   1   42.942 ? 29  LYS   B HD2  1 c 2 
ATOM   2134 H HD3  . LYS   B 1 17  ? -17.761 -12.651 5.476   1   41.347 ? 29  LYS   B HD3  1 c 2 
ATOM   2135 H HE2  . LYS   B 1 17  ? -19.658 -13.519 7.385   1   53.213 ? 29  LYS   B HE2  1 c 2 
ATOM   2136 H HE3  . LYS   B 1 17  ? -18.903 -12.169 7.748   1   51.954 ? 29  LYS   B HE3  1 c 2 
ATOM   2137 H HZ1  . LYS   B 1 17  ? -20.143 -12.531 5.311   1   53.911 ? 29  LYS   B HZ1  1 c 2 
ATOM   2138 H HZ2  . LYS   B 1 17  ? -19.61  -11.25  5.819   1   53.084 ? 29  LYS   B HZ2  1 c 2 
ATOM   2139 H HZ3  . LYS   B 1 17  ? -20.815 -11.843 6.431   1   55.055 ? 29  LYS   B HZ3  1 c 2 
ATOM   2140 N N    . ASP   B 1 18  ? -14.845 -14.256 1.937   1   31.123 ? 30  ASP   B N    1 ? 2 
ATOM   2141 C CA   . ASP   B 1 18  ? -13.567 -14.395 1.269   1   28.909 ? 30  ASP   B CA   1 ? 2 
ATOM   2142 C C    . ASP   B 1 18  ? -12.819 -13.064 1.222   1   27.169 ? 30  ASP   B C    1 ? 2 
ATOM   2143 O O    . ASP   B 1 18  ? -11.882 -12.936 0.397   1   27.686 ? 30  ASP   B O    1 ? 2 
ATOM   2144 C CB   . ASP   B 1 18  ? -13.73  -14.937 -0.159  1   30.192 ? 30  ASP   B CB   1 ? 2 
ATOM   2145 C CG   . ASP   B 1 18  ? -14.65  -14.158 -1.071  1   30.741 ? 30  ASP   B CG   1 ? 2 
ATOM   2146 O OD1  . ASP   B 1 18  ? -14.876 -12.953 -0.768  1   26.695 ? 30  ASP   B OD1  1 ? 2 
ATOM   2147 O OD2  . ASP   B 1 18  ? -15.14  -14.732 -2.087  1   27.957 ? 30  ASP   B OD2  1 ? 2 
ATOM   2148 H H    . ASP   B 1 18  ? -15.522 -13.81  1.516   1   29.849 ? 30  ASP   B H    1 c 2 
ATOM   2149 H HA   . ASP   B 1 18  ? -13.02  -15.042 1.768   1   30.401 ? 30  ASP   B HA   1 c 2 
ATOM   2150 H HB2  . ASP   B 1 18  ? -12.849 -14.989 -0.585  1   30.216 ? 30  ASP   B HB2  1 c 2 
ATOM   2151 H HB3  . ASP   B 1 18  ? -14.079 -15.85  -0.097  1   31.199 ? 30  ASP   B HB3  1 c 2 
ATOM   2152 N N    . ARG   B 1 19  ? -13.261 -12.06  1.972   1   26.957 ? 31  ARG   B N    1 ? 2 
ATOM   2153 C CA   . ARG   B 1 19  ? -12.631 -10.729 2.016   1   28.837 ? 31  ARG   B CA   1 ? 2 
ATOM   2154 C C    . ARG   B 1 19  ? -12.608 -10.04  0.666   1   29.644 ? 31  ARG   B C    1 ? 2 
ATOM   2155 O O    . ARG   B 1 19  ? -11.842 -9.085  0.473   1   27.865 ? 31  ARG   B O    1 ? 2 
ATOM   2156 C CB   . ARG   B 1 19  ? -11.228 -10.671 2.661   1   28.159 ? 31  ARG   B CB   1 ? 2 
ATOM   2157 C CG   . ARG   B 1 19  ? -11.306 -11.081 4.116   1   28.739 ? 31  ARG   B CG   1 ? 2 
ATOM   2158 C CD   . ARG   B 1 19  ? -9.96   -11.117 4.88    1   30.368 ? 31  ARG   B CD   1 ? 2 
ATOM   2159 N NE   . ARG   B 1 19  ? -9.133  -9.947  4.616   1   32.641 ? 31  ARG   B NE   1 ? 2 
ATOM   2160 C CZ   . ARG   B 1 19  ? -9.212  -8.783  5.26    1   36.586 ? 31  ARG   B CZ   1 ? 2 
ATOM   2161 N NH1  . ARG   B 1 19  ? -10.015 -8.586  6.287   1   32.418 ? 31  ARG   B NH1  1 ? 2 
ATOM   2162 N NH2  . ARG   B 1 19  ? -8.38   -7.811  4.925   1   37.552 ? 31  ARG   B NH2  1 ? 2 
ATOM   2163 H H    . ARG   B 1 19  ? -13.997 -12.2   2.493   1   27.797 ? 31  ARG   B H    1 c 2 
ATOM   2164 H HA   . ARG   B 1 19  ? -13.2   -10.17  2.602   1   28.249 ? 31  ARG   B HA   1 c 2 
ATOM   2165 H HB2  . ARG   B 1 19  ? -10.62  -11.274 2.184   1   28.663 ? 31  ARG   B HB2  1 c 2 
ATOM   2166 H HB3  . ARG   B 1 19  ? -10.872 -9.759  2.6     1   28.049 ? 31  ARG   B HB3  1 c 2 
ATOM   2167 H HG2  . ARG   B 1 19  ? -11.91  -10.463 4.583   1   28.772 ? 31  ARG   B HG2  1 c 2 
ATOM   2168 H HG3  . ARG   B 1 19  ? -11.715 -11.972 4.169   1   29.423 ? 31  ARG   B HG3  1 c 2 
ATOM   2169 H HD2  . ARG   B 1 19  ? -10.136 -11.177 5.841   1   31.817 ? 31  ARG   B HD2  1 c 2 
ATOM   2170 H HD3  . ARG   B 1 19  ? -9.47   -11.921 4.616   1   31.473 ? 31  ARG   B HD3  1 c 2 
ATOM   2171 H HE   . ARG   B 1 19  ? -8.537  -10.015 3.985   1   32.872 ? 31  ARG   B HE   1 c 2 
ATOM   2172 H HH11 . ARG   B 1 19  ? -10.883 -8.73   6.199   1   33.211 ? 31  ARG   B HH11 1 c 2 
ATOM   2173 H HH12 . ARG   B 1 19  ? -9.683  -8.309  7.058   1   34.657 ? 31  ARG   B HH12 1 c 2 
ATOM   2174 H HH21 . ARG   B 1 19  ? -7.764  -7.947  4.305   1   37.222 ? 31  ARG   B HH21 1 c 2 
ATOM   2175 H HH22 . ARG   B 1 19  ? -8.443  -7.024  5.323   1   37.373 ? 31  ARG   B HH22 1 c 2 
ATOM   2176 N N    . GLY   B 1 20  ? -13.537 -10.451 -0.224  1   28.29  ? 32  GLY   B N    1 ? 2 
ATOM   2177 C CA   . GLY   B 1 20  ? -13.614 -9.93   -1.565  1   26.124 ? 32  GLY   B CA   1 ? 2 
ATOM   2178 C C    . GLY   B 1 20  ? -14.167 -8.495  -1.642  1   28.958 ? 32  GLY   B C    1 ? 2 
ATOM   2179 O O    . GLY   B 1 20  ? -13.898 -7.749  -2.608  1   24.797 ? 32  GLY   B O    1 ? 2 
ATOM   2180 H H    . GLY   B 1 20  ? -14.158 -11.068 0.036   1   28.466 ? 32  GLY   B H    1 c 2 
ATOM   2181 H HA2  . GLY   B 1 20  ? -12.714 -9.949  -1.963  1   27.375 ? 32  GLY   B HA2  1 c 2 
ATOM   2182 H HA3  . GLY   B 1 20  ? -14.186 -10.524 -2.098  1   27.316 ? 32  GLY   B HA3  1 c 2 
ATOM   2183 N N    . VAL   B 1 21  ? -14.943 -8.08   -0.643  1   25.036 ? 33  VAL   B N    1 ? 2 
ATOM   2184 C CA   . VAL   B 1 21  ? -15.52  -6.775  -0.515  1   23.474 ? 33  VAL   B CA   1 ? 2 
ATOM   2185 C C    . VAL   B 1 21  ? -15.414 -6.392  0.968   1   28.195 ? 33  VAL   B C    1 ? 2 
ATOM   2186 O O    . VAL   B 1 21  ? -16.067 -7.02   1.781   1   23.354 ? 33  VAL   B O    1 ? 2 
ATOM   2187 C CB   . VAL   B 1 21  ? -16.989 -6.666  -0.937  1   25.181 ? 33  VAL   B CB   1 ? 2 
ATOM   2188 C CG1  . VAL   B 1 21  ? -17.493 -5.22   -0.86   1   25.543 ? 33  VAL   B CG1  1 ? 2 
ATOM   2189 C CG2  . VAL   B 1 21  ? -17.214 -7.215  -2.326  1   26.894 ? 33  VAL   B CG2  1 ? 2 
ATOM   2190 H H    . VAL   B 1 21  ? -15.125 -8.682  0.02    1   26.057 ? 33  VAL   B H    1 c 2 
ATOM   2191 H HA   . VAL   B 1 21  ? -14.994 -6.144  -1.044  1   24.624 ? 33  VAL   B HA   1 c 2 
ATOM   2192 H HB   . VAL   B 1 21  ? -17.518 -7.209  -0.307  1   25.62  ? 33  VAL   B HB   1 c 2 
ATOM   2193 H HG11 . VAL   B 1 21  ? -16.844 -4.628  -1.276  1   25.277 ? 33  VAL   B HG11 1 c 2 
ATOM   2194 H HG12 . VAL   B 1 21  ? -17.613 -4.965  0.07    1   25.747 ? 33  VAL   B HG12 1 c 2 
ATOM   2195 H HG13 . VAL   B 1 21  ? -18.343 -5.146  -1.326  1   25.639 ? 33  VAL   B HG13 1 c 2 
ATOM   2196 H HG21 . VAL   B 1 21  ? -18.137 -7.064  -2.59   1   26.579 ? 33  VAL   B HG21 1 c 2 
ATOM   2197 H HG22 . VAL   B 1 21  ? -17.03  -8.17   -2.332  1   26.537 ? 33  VAL   B HG22 1 c 2 
ATOM   2198 H HG23 . VAL   B 1 21  ? -16.621 -6.768  -2.953  1   26.147 ? 33  VAL   B HG23 1 c 2 
ATOM   2199 N N    . LEU   B 1 22  ? -14.57  -5.396  1.267   1   26.157 ? 34  LEU   B N    1 ? 2 
ATOM   2200 C CA   . LEU   B 1 22  ? -14.382 -4.889  2.632   1   26.588 ? 34  LEU   B CA   1 ? 2 
ATOM   2201 C C    . LEU   B 1 22  ? -14.903 -3.474  2.738   1   26.422 ? 34  LEU   B C    1 ? 2 
ATOM   2202 O O    . LEU   B 1 22  ? -14.75  -2.695  1.778   1   26.587 ? 34  LEU   B O    1 ? 2 
ATOM   2203 C CB   . LEU   B 1 22  ? -12.892 -4.906  2.864   1   24.739 ? 34  LEU   B CB   1 ? 2 
ATOM   2204 C CG   . LEU   B 1 22  ? -12.213 -6.256  2.956   1   25.763 ? 34  LEU   B CG   1 ? 2 
ATOM   2205 C CD1  . LEU   B 1 22  ? -10.716 -6.069  2.997   1   25.596 ? 34  LEU   B CD1  1 ? 2 
ATOM   2206 C CD2  . LEU   B 1 22  ? -12.625 -7.217  4.114   1   26.039 ? 34  LEU   B CD2  1 ? 2 
ATOM   2207 H H    . LEU   B 1 22  ? -14.089 -5.01   0.592   1   26.326 ? 34  LEU   B H    1 c 2 
ATOM   2208 H HA   . LEU   B 1 22  ? -14.838 -5.481  3.277   1   26.464 ? 34  LEU   B HA   1 c 2 
ATOM   2209 H HB2  . LEU   B 1 22  ? -12.465 -4.396  2.137   1   25.228 ? 34  LEU   B HB2  1 c 2 
ATOM   2210 H HB3  . LEU   B 1 22  ? -12.709 -4.415  3.698   1   26.068 ? 34  LEU   B HB3  1 c 2 
ATOM   2211 H HG   . LEU   B 1 22  ? -12.412 -6.737  2.112   1   24.861 ? 34  LEU   B HG   1 c 2 
ATOM   2212 H HD11 . LEU   B 1 22  ? -10.424 -5.608  2.193   1   25.557 ? 34  LEU   B HD11 1 c 2 
ATOM   2213 H HD12 . LEU   B 1 22  ? -10.28  -6.936  3.048   1   26.197 ? 34  LEU   B HD12 1 c 2 
ATOM   2214 H HD13 . LEU   B 1 22  ? -10.475 -5.541  3.777   1   26.502 ? 34  LEU   B HD13 1 c 2 
ATOM   2215 H HD21 . LEU   B 1 22  ? -13.579 -7.392  4.066   1   25.942 ? 34  LEU   B HD21 1 c 2 
ATOM   2216 H HD22 . LEU   B 1 22  ? -12.415 -6.806  4.969   1   26.863 ? 34  LEU   B HD22 1 c 2 
ATOM   2217 H HD23 . LEU   B 1 22  ? -12.139 -8.055  4.03    1   26.473 ? 34  LEU   B HD23 1 c 2 
ATOM   2218 N N    . LYS   B 1 23  ? -15.553 -3.139  3.883   1   25.625 ? 35  LYS   B N    1 ? 2 
ATOM   2219 C CA   . LYS   B 1 23  ? -16.303 -1.909  4.009   1   24.639 ? 35  LYS   B CA   1 ? 2 
ATOM   2220 C C    . LYS   B 1 23  ? -15.952 -1.231  5.339   1   28.786 ? 35  LYS   B C    1 ? 2 
ATOM   2221 O O    . LYS   B 1 23  ? -15.888 -1.877  6.372   1   27.132 ? 35  LYS   B O    1 ? 2 
ATOM   2222 C CB   . LYS   B 1 23  ? -17.82  -2.167  4.093   1   27.269 ? 35  LYS   B CB   1 ? 2 
ATOM   2223 C CG   . LYS   B 1 23  ? -18.699 -0.9    4.138   1   26.227 ? 35  LYS   B CG   1 ? 2 
ATOM   2224 C CD   . LYS   B 1 23  ? -20.19  -1.239  4.238   1   30.07  ? 35  LYS   B CD   1 ? 2 
ATOM   2225 C CE   . LYS   B 1 23  ? -21.103 -0.003  4.313   1   27.476 ? 35  LYS   B CE   1 ? 2 
ATOM   2226 N NZ   . LYS   B 1 23  ? -22.492 -0.241  4.721   1   28.05  ? 35  LYS   B NZ   1 ? 2 
ATOM   2227 H H    . LYS   B 1 23  ? -15.517 -3.706  4.599   1   26.105 ? 35  LYS   B H    1 c 2 
ATOM   2228 H HA   . LYS   B 1 23  ? -16.088 -1.312  3.254   1   25.605 ? 35  LYS   B HA   1 c 2 
ATOM   2229 H HB2  . LYS   B 1 23  ? -18.089 -2.701  3.316   1   25.709 ? 35  LYS   B HB2  1 c 2 
ATOM   2230 H HB3  . LYS   B 1 23  ? -18.004 -2.699  4.896   1   26.82  ? 35  LYS   B HB3  1 c 2 
ATOM   2231 H HG2  . LYS   B 1 23  ? -18.439 -0.357  4.913   1   28.064 ? 35  LYS   B HG2  1 c 2 
ATOM   2232 H HG3  . LYS   B 1 23  ? -18.539 -0.373  3.325   1   26.98  ? 35  LYS   B HG3  1 c 2 
ATOM   2233 H HD2  . LYS   B 1 23  ? -20.445 -1.775  3.455   1   27.864 ? 35  LYS   B HD2  1 c 2 
ATOM   2234 H HD3  . LYS   B 1 23  ? -20.336 -1.791  5.037   1   28.944 ? 35  LYS   B HD3  1 c 2 
ATOM   2235 H HE2  . LYS   B 1 23  ? -20.708 0.631   4.937   1   28.66  ? 35  LYS   B HE2  1 c 2 
ATOM   2236 H HE3  . LYS   B 1 23  ? -21.114 0.424   3.438   1   27.739 ? 35  LYS   B HE3  1 c 2 
ATOM   2237 H HZ1  . LYS   B 1 23  ? -22.508 -0.635  5.537   1   28.748 ? 35  LYS   B HZ1  1 c 2 
ATOM   2238 H HZ2  . LYS   B 1 23  ? -22.898 -0.784  4.121   1   27.911 ? 35  LYS   B HZ2  1 c 2 
ATOM   2239 H HZ3  . LYS   B 1 23  ? -22.939 0.545   4.761   1   28.992 ? 35  LYS   B HZ3  1 c 2 
ATOM   2240 N N    . ILE   B 1 24  ? -15.756 0.063   5.256   1   29.072 ? 36  ILE   B N    1 ? 2 
ATOM   2241 C CA   . ILE   B 1 24  ? -15.874 0.931   6.438   1   29.49  ? 36  ILE   B CA   1 ? 2 
ATOM   2242 C C    . ILE   B 1 24  ? -16.938 1.99    6.25    1   30.362 ? 36  ILE   B C    1 ? 2 
ATOM   2243 O O    . ILE   B 1 24  ? -16.98  2.735   5.252   1   30.925 ? 36  ILE   B O    1 ? 2 
ATOM   2244 C CB   . ILE   B 1 24  ? -14.516 1.572   6.735   1   29.664 ? 36  ILE   B CB   1 ? 2 
ATOM   2245 C CG1  . ILE   B 1 24  ? -13.426 0.536   7.008   1   33.674 ? 36  ILE   B CG1  1 ? 2 
ATOM   2246 C CG2  . ILE   B 1 24  ? -14.638 2.572   7.908   1   38.548 ? 36  ILE   B CG2  1 ? 2 
ATOM   2247 C CD1  . ILE   B 1 24  ? -12.034 1.156   7.23    1   36.395 ? 36  ILE   B CD1  1 ? 2 
ATOM   2248 H H    . ILE   B 1 24  ? -15.538 0.438   4.452   1   28.459 ? 36  ILE   B H    1 c 2 
ATOM   2249 H HA   . ILE   B 1 24  ? -16.121 0.378   7.204   1   30.053 ? 36  ILE   B HA   1 c 2 
ATOM   2250 H HB   . ILE   B 1 24  ? -14.249 2.077   5.941   1   31.409 ? 36  ILE   B HB   1 c 2 
ATOM   2251 H HG12 . ILE   B 1 24  ? -13.673 0.02    7.803   1   33.435 ? 36  ILE   B HG12 1 c 2 
ATOM   2252 H HG13 . ILE   B 1 24  ? -13.379 -0.082  6.251   1   31.903 ? 36  ILE   B HG13 1 c 2 
ATOM   2253 H HG21 . ILE   B 1 24  ? -13.775 2.983   8.08    1   37.052 ? 36  ILE   B HG21 1 c 2 
ATOM   2254 H HG22 . ILE   B 1 24  ? -14.935 2.103   8.706   1   36.777 ? 36  ILE   B HG22 1 c 2 
ATOM   2255 H HG23 . ILE   B 1 24  ? -15.281 3.265   7.684   1   36.523 ? 36  ILE   B HG23 1 c 2 
ATOM   2256 H HD11 . ILE   B 1 24  ? -11.841 1.793   6.516   1   35.795 ? 36  ILE   B HD11 1 c 2 
ATOM   2257 H HD12 . ILE   B 1 24  ? -11.36  0.451   7.225   1   35.754 ? 36  ILE   B HD12 1 c 2 
ATOM   2258 H HD13 . ILE   B 1 24  ? -12.009 1.617   8.09    1   37.177 ? 36  ILE   B HD13 1 c 2 
ATOM   2259 N N    . VAL   B 1 25  ? -17.793 2.168   7.298   1   32.219 ? 37  VAL   B N    1 ? 2 
ATOM   2260 C CA   . VAL   B 1 25  ? -18.761 3.266   7.262   1   32.697 ? 37  VAL   B CA   1 ? 2 
ATOM   2261 C C    . VAL   B 1 25  ? -17.976 4.509   7.679   1   33.979 ? 37  VAL   B C    1 ? 2 
ATOM   2262 O O    . VAL   B 1 25  ? -17.485 4.546   8.778   1   36.12  ? 37  VAL   B O    1 ? 2 
ATOM   2263 C CB   . VAL   B 1 25  ? -19.995 3.043   8.166   1   32.221 ? 37  VAL   B CB   1 ? 2 
ATOM   2264 C CG1  . VAL   B 1 25  ? -20.877 4.267   8.348   1   36.278 ? 37  VAL   B CG1  1 ? 2 
ATOM   2265 C CG2  . VAL   B 1 25  ? -20.799 1.845   7.709   1   33.181 ? 37  VAL   B CG2  1 ? 2 
ATOM   2266 H H    . VAL   B 1 25  ? -17.769 1.611   8.022   1   32.311 ? 37  VAL   B H    1 c 2 
ATOM   2267 H HA   . VAL   B 1 25  ? -19.067 3.382   6.342   1   31.803 ? 37  VAL   B HA   1 c 2 
ATOM   2268 H HB   . VAL   B 1 25  ? -19.647 2.817   9.06    1   34.033 ? 37  VAL   B HB   1 c 2 
ATOM   2269 H HG11 . VAL   B 1 25  ? -21.002 4.708   7.491   1   35.105 ? 37  VAL   B HG11 1 c 2 
ATOM   2270 H HG12 . VAL   B 1 25  ? -20.454 4.884   8.97    1   36.612 ? 37  VAL   B HG12 1 c 2 
ATOM   2271 H HG13 . VAL   B 1 25  ? -21.741 3.997   8.701   1   36.202 ? 37  VAL   B HG13 1 c 2 
ATOM   2272 H HG21 . VAL   B 1 25  ? -21.537 1.695   8.323   1   33.621 ? 37  VAL   B HG21 1 c 2 
ATOM   2273 H HG22 . VAL   B 1 25  ? -20.229 1.058   7.691   1   31.811 ? 37  VAL   B HG22 1 c 2 
ATOM   2274 H HG23 . VAL   B 1 25  ? -21.15  2.01    6.818   1   32.004 ? 37  VAL   B HG23 1 c 2 
ATOM   2275 N N    . LYS   B 1 26  ? -17.976 5.581   6.887   1   35.322 ? 38  LYS   B N    1 ? 2 
ATOM   2276 C CA   . LYS   B 1 26  ? -17.214 6.773   7.21    1   37.452 ? 38  LYS   B CA   1 ? 2 
ATOM   2277 C C    . LYS   B 1 26  ? -18.114 7.838   7.819   1   38.628 ? 38  LYS   B C    1 ? 2 
ATOM   2278 O O    . LYS   B 1 26  ? -17.651 8.685   8.572   1   39.987 ? 38  LYS   B O    1 ? 2 
ATOM   2279 C CB   . LYS   B 1 26  ? -16.454 7.307   6.001   1   40.192 ? 38  LYS   B CB   1 ? 2 
ATOM   2280 C CG   . LYS   B 1 26  ? -15.383 6.333   5.539   1   42.8   ? 38  LYS   B CG   1 ? 2 
ATOM   2281 C CD   . LYS   B 1 26  ? -14.389 5.953   6.64    1   46.74  ? 38  LYS   B CD   1 ? 2 
ATOM   2282 C CE   . LYS   B 1 26  ? -13.395 6.97    6.841   1   47.342 ? 38  LYS   B CE   1 ? 2 
ATOM   2283 N NZ   . LYS   B 1 26  ? -12.285 6.339   7.533   1   53.31  ? 38  LYS   B NZ   1 ? 2 
ATOM   2284 H H    . LYS   B 1 26  ? -18.462 5.566   6.113   1   34.55  ? 38  LYS   B H    1 c 2 
ATOM   2285 H HA   . LYS   B 1 26  ? -16.549 6.53    7.897   1   38.203 ? 38  LYS   B HA   1 c 2 
ATOM   2286 H HB2  . LYS   B 1 26  ? -17.081 7.467   5.264   1   39.913 ? 38  LYS   B HB2  1 c 2 
ATOM   2287 H HB3  . LYS   B 1 26  ? -16.029 8.159   6.234   1   41.666 ? 38  LYS   B HB3  1 c 2 
ATOM   2288 H HG2  . LYS   B 1 26  ? -15.821 5.519   5.209   1   41.169 ? 38  LYS   B HG2  1 c 2 
ATOM   2289 H HG3  . LYS   B 1 26  ? -14.894 6.737   4.788   1   42.51  ? 38  LYS   B HG3  1 c 2 
ATOM   2290 H HD2  . LYS   B 1 26  ? -14.863 5.795   7.482   1   46.075 ? 38  LYS   B HD2  1 c 2 
ATOM   2291 H HD3  . LYS   B 1 26  ? -13.944 5.115   6.386   1   44.673 ? 38  LYS   B HD3  1 c 2 
ATOM   2292 H HE2  . LYS   B 1 26  ? -13.087 7.33    5.99    1   48.693 ? 38  LYS   B HE2  1 c 2 
ATOM   2293 H HE3  . LYS   B 1 26  ? -13.753 7.695   7.384   1   50.201 ? 38  LYS   B HE3  1 c 2 
ATOM   2294 H HZ1  . LYS   B 1 26  ? -11.843 5.782   6.97    1   50.454 ? 38  LYS   B HZ1  1 c 2 
ATOM   2295 H HZ2  . LYS   B 1 26  ? -12.588 5.866   8.245   1   51.44  ? 38  LYS   B HZ2  1 c 2 
ATOM   2296 H HZ3  . LYS   B 1 26  ? -11.711 6.975   7.827   1   52.911 ? 38  LYS   B HZ3  1 c 2 
ATOM   2297 N N    . ARG   B 1 27  ? -19.339 7.95    7.28    1   37.981 ? 39  ARG   B N    1 ? 2 
ATOM   2298 C CA   . ARG   B 1 27  ? -20.344 8.822   7.86    1   37.704 ? 39  ARG   B CA   1 ? 2 
ATOM   2299 C C    . ARG   B 1 27  ? -21.681 8.061   7.915   1   41.53  ? 39  ARG   B C    1 ? 2 
ATOM   2300 O O    . ARG   B 1 27  ? -22.147 7.469   6.902   1   40.88  ? 39  ARG   B O    1 ? 2 
ATOM   2301 C CB   . ARG   B 1 27  ? -20.511 10.077  7.009   1   43.198 ? 39  ARG   B CB   1 ? 2 
ATOM   2302 C CG   . ARG   B 1 27  ? -21.463 11.086  7.712   1   50.641 ? 39  ARG   B CG   1 ? 2 
ATOM   2303 C CD   . ARG   B 1 27  ? -22.582 11.467  6.711   1   57.624 ? 39  ARG   B CD   1 ? 2 
ATOM   2304 N NE   . ARG   B 1 27  ? -22.008 12.403  5.747   1   57.198 ? 39  ARG   B NE   1 ? 2 
ATOM   2305 C CZ   . ARG   B 1 27  ? -22.476 12.85   4.582   1   50.576 ? 39  ARG   B CZ   1 ? 2 
ATOM   2306 N NH1  . ARG   B 1 27  ? -23.4   12.275  3.83    1   46.551 ? 39  ARG   B NH1  1 ? 2 
ATOM   2307 N NH2  . ARG   B 1 27  ? -21.942 14.002  4.189   1   49.633 ? 39  ARG   B NH2  1 ? 2 
ATOM   2308 H H    . ARG   B 1 27  ? -19.547 7.482   6.523   1   36.34  ? 39  ARG   B H    1 c 2 
ATOM   2309 H HA   . ARG   B 1 27  ? -20.067 9.069   8.778   1   40.975 ? 39  ARG   B HA   1 c 2 
ATOM   2310 H HB2  . ARG   B 1 27  ? -19.636 10.498  6.871   1   43.314 ? 39  ARG   B HB2  1 c 2 
ATOM   2311 H HB3  . ARG   B 1 27  ? -20.877 9.833   6.132   1   42.196 ? 39  ARG   B HB3  1 c 2 
ATOM   2312 H HG2  . ARG   B 1 27  ? -21.86  10.68   8.512   1   51.073 ? 39  ARG   B HG2  1 c 2 
ATOM   2313 H HG3  . ARG   B 1 27  ? -20.964 11.891  7.973   1   52.207 ? 39  ARG   B HG3  1 c 2 
ATOM   2314 H HD2  . ARG   B 1 27  ? -22.916 10.674  6.246   1   54.141 ? 39  ARG   B HD2  1 c 2 
ATOM   2315 H HD3  . ARG   B 1 27  ? -23.328 11.894  7.181   1   57.422 ? 39  ARG   B HD3  1 c 2 
ATOM   2316 H HE   . ARG   B 1 27  ? -21.227 12.728  5.958   1   55.79  ? 39  ARG   B HE   1 c 2 
ATOM   2317 H HH11 . ARG   B 1 27  ? -23.709 11.476  4.049   1   46.492 ? 39  ARG   B HH11 1 c 2 
ATOM   2318 H HH12 . ARG   B 1 27  ? -23.704 12.69   3.111   1   48.099 ? 39  ARG   B HH12 1 c 2 
ATOM   2319 H HH21 . ARG   B 1 27  ? -21.904 14.683  4.751   1   52.204 ? 39  ARG   B HH21 1 c 2 
ATOM   2320 H HH22 . ARG   B 1 27  ? -21.627 14.082  3.366   1   50.016 ? 39  ARG   B HH22 1 c 2 
ATOM   2321 N N    . VAL   B 1 28  ? -22.313 8.108   9.09    1   42.557 ? 40  VAL   B N    1 ? 2 
ATOM   2322 C CA   . VAL   B 1 28  ? -23.534 7.347   9.285   1   44.931 ? 40  VAL   B CA   1 ? 2 
ATOM   2323 C C    . VAL   B 1 28  ? -24.701 8.043   8.591   1   45.68  ? 40  VAL   B C    1 ? 2 
ATOM   2324 O O    . VAL   B 1 28  ? -24.858 9.256   8.655   1   45.885 ? 40  VAL   B O    1 ? 2 
ATOM   2325 C CB   . VAL   B 1 28  ? -23.755 7.049   10.78   1   50.725 ? 40  VAL   B CB   1 ? 2 
ATOM   2326 C CG1  . VAL   B 1 28  ? -25.149 6.523   11.1    1   58.32  ? 40  VAL   B CG1  1 ? 2 
ATOM   2327 C CG2  . VAL   B 1 28  ? -22.675 6.061   11.289  1   47.257 ? 40  VAL   B CG2  1 ? 2 
ATOM   2328 H H    . VAL   B 1 28  ? -21.987 8.619   9.774   1   44.505 ? 40  VAL   B H    1 c 2 
ATOM   2329 H HA   . VAL   B 1 28  ? -23.406 6.485   8.841   1   43.502 ? 40  VAL   B HA   1 c 2 
ATOM   2330 H HB   . VAL   B 1 28  ? -23.637 7.899   11.266  1   52.108 ? 40  VAL   B HB   1 c 2 
ATOM   2331 H HG11 . VAL   B 1 28  ? -25.425 5.895   10.411  1   54.895 ? 40  VAL   B HG11 1 c 2 
ATOM   2332 H HG12 . VAL   B 1 28  ? -25.777 7.264   11.131  1   57.654 ? 40  VAL   B HG12 1 c 2 
ATOM   2333 H HG13 . VAL   B 1 28  ? -25.139 6.073   11.961  1   56.919 ? 40  VAL   B HG13 1 c 2 
ATOM   2334 H HG21 . VAL   B 1 28  ? -22.828 5.866   12.229  1   49.213 ? 40  VAL   B HG21 1 c 2 
ATOM   2335 H HG22 . VAL   B 1 28  ? -21.794 6.458   11.181  1   47.564 ? 40  VAL   B HG22 1 c 2 
ATOM   2336 H HG23 . VAL   B 1 28  ? -22.722 5.236   10.776  1   46.397 ? 40  VAL   B HG23 1 c 2 
ATOM   2337 N N    . GLY   B 1 29  ? -25.553 7.204   7.986   1   44.84  ? 41  GLY   B N    1 ? 2 
ATOM   2338 C CA   . GLY   B 1 29  ? -26.775 7.598   7.304   1   45.135 ? 41  GLY   B CA   1 ? 2 
ATOM   2339 C C    . GLY   B 1 29  ? -27.989 7.591   8.23    1   51.014 ? 41  GLY   B C    1 ? 2 
ATOM   2340 O O    . GLY   B 1 29  ? -27.861 7.494   9.456   1   50.313 ? 41  GLY   B O    1 ? 2 
ATOM   2341 H H    . GLY   B 1 29  ? -25.353 6.312   8.005   1   43.483 ? 41  GLY   B H    1 c 2 
ATOM   2342 H HA2  . GLY   B 1 29  ? -26.655 8.501   6.927   1   46.678 ? 41  GLY   B HA2  1 c 2 
ATOM   2343 H HA3  . GLY   B 1 29  ? -26.934 6.978   6.553   1   44.835 ? 41  GLY   B HA3  1 c 2 
ATOM   2344 N N    . ASN   B 1 30  ? -29.187 7.755   7.625   1   55.921 ? 42  ASN   B N    1 ? 2 
ATOM   2345 C CA   . ASN   B 1 30  ? -30.444 7.851   8.385   1   57.33  ? 42  ASN   B CA   1 ? 2 
ATOM   2346 C C    . ASN   B 1 30  ? -31.368 6.718   7.955   1   55.306 ? 42  ASN   B C    1 ? 2 
ATOM   2347 O O    . ASN   B 1 30  ? -31.243 6.271   6.833   1   48.675 ? 42  ASN   B O    1 ? 2 
ATOM   2348 C CB   . ASN   B 1 30  ? -31.323 9.051   8.035   1   62.652 ? 42  ASN   B CB   1 ? 2 
ATOM   2349 C CG   . ASN   B 1 30  ? -30.512 10.244  7.612   1   71.818 ? 42  ASN   B CG   1 ? 2 
ATOM   2350 O OD1  . ASN   B 1 30  ? -30.292 10.457  6.41    1   69.128 ? 42  ASN   B OD1  1 ? 2 
ATOM   2351 N ND2  . ASN   B 1 30  ? -30.042 11      8.596   1   80.115 ? 42  ASN   B ND2  1 ? 2 
ATOM   2352 H H    . ASN   B 1 30  ? -29.222 7.806   6.713   1   53.934 ? 42  ASN   B H    1 c 2 
ATOM   2353 H HA   . ASN   B 1 30  ? -30.277 7.832   9.355   1   58.5   ? 42  ASN   B HA   1 c 2 
ATOM   2354 H HB2  . ASN   B 1 30  ? -31.932 8.808   7.309   1   63.856 ? 42  ASN   B HB2  1 c 2 
ATOM   2355 H HB3  . ASN   B 1 30  ? -31.863 9.292   8.814   1   66.055 ? 42  ASN   B HB3  1 c 2 
ATOM   2356 H HD21 . ASN   B 1 30  ? -29.754 11.82   8.422   1   78.464 ? 42  ASN   B HD21 1 c 2 
ATOM   2357 H HD22 . ASN   B 1 30  ? -30.016 10.685  9.425   1   78.053 ? 42  ASN   B HD22 1 c 2 
ATOM   2358 N N    . GLY   B 1 31  ? -32.417 6.444   8.719   1   59.701 ? 43  GLY   B N    1 ? 2 
ATOM   2359 C CA   . GLY   B 1 31  ? -33.491 5.576   8.244   1   64.058 ? 43  GLY   B CA   1 ? 2 
ATOM   2360 C C    . GLY   B 1 31  ? -33.115 4.104   8.414   1   63.443 ? 43  GLY   B C    1 ? 2 
ATOM   2361 O O    . GLY   B 1 31  ? -31.944 3.779   8.612   1   71.095 ? 43  GLY   B O    1 ? 2 
ATOM   2362 H H    . GLY   B 1 31  ? -32.473 6.802   9.559   1   61.432 ? 43  GLY   B H    1 c 2 
ATOM   2363 H HA2  . GLY   B 1 31  ? -34.312 5.769   8.753   1   65.837 ? 43  GLY   B HA2  1 c 2 
ATOM   2364 H HA3  . GLY   B 1 31  ? -33.67  5.766   7.293   1   62.848 ? 43  GLY   B HA3  1 c 2 
ATOM   2365 N N    . GLU   B 1 32  ? -34.125 3.224   8.359   1   66.301 ? 44  GLU   B N    1 ? 2 
ATOM   2366 C CA   . GLU   B 1 32  ? -33.943 1.786   8.529   1   67.185 ? 44  GLU   B CA   1 ? 2 
ATOM   2367 C C    . GLU   B 1 32  ? -33.847 1.085   7.158   1   59.265 ? 44  GLU   B C    1 ? 2 
ATOM   2368 O O    . GLU   B 1 32  ? -33.352 -0.024  7.083   1   56.953 ? 44  GLU   B O    1 ? 2 
ATOM   2369 C CB   . GLU   B 1 32  ? -35.049 1.268   9.465   1   74.086 ? 44  GLU   B CB   1 ? 2 
ATOM   2370 H H    . GLU   B 1 32  ? -34.97  3.54    8.209   1   68.158 ? 44  GLU   B H    1 c 2 
ATOM   2371 H HA   . GLU   B 1 32  ? -33.082 1.643   8.998   1   65.017 ? 44  GLU   B HA   1 c 2 
ATOM   2372 H HB2  . GLU   B 1 32  ? -34.657 0.842   10.255  0   30     ? 44  GLU   B HB2  1 c 2 
ATOM   2373 H HB3  . GLU   B 1 32  ? -35.921 1.51    9.069   0   30     ? 44  GLU   B HB3  1 c 2 
ATOM   2374 N N    . GLU   B 1 33  ? -34.328 1.717   6.077   1   57.252 ? 45  GLU   B N    1 ? 2 
ATOM   2375 C CA   . GLU   B 1 33  ? -34.32  1.134   4.74    1   58.209 ? 45  GLU   B CA   1 ? 2 
ATOM   2376 C C    . GLU   B 1 33  ? -32.905 1.085   4.159   1   54.993 ? 45  GLU   B C    1 ? 2 
ATOM   2377 O O    . GLU   B 1 33  ? -32.178 2.067   4.239   1   51.171 ? 45  GLU   B O    1 ? 2 
ATOM   2378 C CB   . GLU   B 1 33  ? -35.268 1.932   3.84    1   66.074 ? 45  GLU   B CB   1 ? 2 
ATOM   2379 H H    . GLU   B 1 33  ? -34.678 2.555   6.18    1   59.737 ? 45  GLU   B H    1 c 2 
ATOM   2380 H HA   . GLU   B 1 33  ? -34.665 0.208   4.807   1   59.218 ? 45  GLU   B HA   1 c 2 
ATOM   2381 H HB2  . GLU   B 1 33  ? -34.779 2.322   3.241   0   30     ? 45  GLU   B HB2  1 c 2 
ATOM   2382 H HB3  . GLU   B 1 33  ? -36.191 1.575   4.187   0   30     ? 45  GLU   B HB3  1 c 2 
ATOM   2383 N N    . THR   B 1 34  ? -32.554 -0.036  3.493   1   50.577 ? 46  THR   B N    1 ? 2 
ATOM   2384 C CA   . THR   B 1 34  ? -31.404 -0.077  2.605   1   45.624 ? 46  THR   B CA   1 ? 2 
ATOM   2385 C C    . THR   B 1 34  ? -31.867 -0.513  1.21    1   49.963 ? 46  THR   B C    1 ? 2 
ATOM   2386 O O    . THR   B 1 34  ? -32.924 -1.09   1.071   1   55.827 ? 46  THR   B O    1 ? 2 
ATOM   2387 C CB   . THR   B 1 34  ? -30.354 -1.046  3.129   1   45.528 ? 46  THR   B CB   1 ? 2 
ATOM   2388 O OG1  . THR   B 1 34  ? -31.037 -2.28   3.188   1   42.742 ? 46  THR   B OG1  1 ? 2 
ATOM   2389 C CG2  . THR   B 1 34  ? -29.852 -0.729  4.527   1   44.59  ? 46  THR   B CG2  1 ? 2 
ATOM   2390 H H    . THR   B 1 34  ? -33.051 -0.795  3.601   1   51.61  ? 46  THR   B H    1 c 2 
ATOM   2391 H HA   . THR   B 1 34  ? -31.012 0.82    2.551   1   46.8   ? 46  THR   B HA   1 c 2 
ATOM   2392 H HB   . THR   B 1 34  ? -29.597 -1.109  2.499   1   42.531 ? 46  THR   B HB   1 c 2 
ATOM   2393 H HG1  . THR   B 1 34  ? -31.737 -2.242  3.734   0   30     ? 46  THR   B HG1  1 c 2 
ATOM   2394 H HG21 . THR   B 1 34  ? -29.131 -1.338  4.759   1   43.777 ? 46  THR   B HG21 1 c 2 
ATOM   2395 H HG22 . THR   B 1 34  ? -30.579 -0.831  5.164   1   46.639 ? 46  THR   B HG22 1 c 2 
ATOM   2396 H HG23 . THR   B 1 34  ? -29.524 0.185   4.554   1   44.691 ? 46  THR   B HG23 1 c 2 
ATOM   2397 N N    . PRO   B 1 35  ? -31.128 -0.215  0.113   1   49.308 ? 47  PRO   B N    1 ? 2 
ATOM   2398 C CA   . PRO   B 1 35  ? -31.565 -0.538  -1.233  1   51.98  ? 47  PRO   B CA   1 ? 2 
ATOM   2399 C C    . PRO   B 1 35  ? -31.761 -2.041  -1.475  1   60.563 ? 47  PRO   B C    1 ? 2 
ATOM   2400 O O    . PRO   B 1 35  ? -31.036 -2.903  -0.939  1   51.345 ? 47  PRO   B O    1 ? 2 
ATOM   2401 C CB   . PRO   B 1 35  ? -30.424 -0.015  -2.097  1   51.255 ? 47  PRO   B CB   1 ? 2 
ATOM   2402 C CG   . PRO   B 1 35  ? -29.753 1.068   -1.261  1   50.158 ? 47  PRO   B CG   1 ? 2 
ATOM   2403 C CD   . PRO   B 1 35  ? -29.804 0.412   0.119   1   48.736 ? 47  PRO   B CD   1 ? 2 
ATOM   2404 H HA   . PRO   B 1 35  ? -32.393 -0.056  -1.437  1   54.85  ? 47  PRO   B HA   1 c 2 
ATOM   2405 H HB2  . PRO   B 1 35  ? -29.791 -0.729  -2.307  1   49.569 ? 47  PRO   B HB2  1 c 2 
ATOM   2406 H HB3  . PRO   B 1 35  ? -30.765 0.356   -2.935  1   51.637 ? 47  PRO   B HB3  1 c 2 
ATOM   2407 H HG2  . PRO   B 1 35  ? -28.832 1.229   -1.547  1   48.555 ? 47  PRO   B HG2  1 c 2 
ATOM   2408 H HG3  . PRO   B 1 35  ? -30.258 1.904   -1.279  1   51.198 ? 47  PRO   B HG3  1 c 2 
ATOM   2409 H HD2  . PRO   B 1 35  ? -29.101 -0.258  0.226   1   47.209 ? 47  PRO   B HD2  1 c 2 
ATOM   2410 H HD3  . PRO   B 1 35  ? -29.734 1.075   0.828   1   48.887 ? 47  PRO   B HD3  1 c 2 
ATOM   2411 N N    . MET   B 1 36  ? -32.768 -2.394  -2.268  1   54.191 ? 48  MET   B N    1 ? 2 
ATOM   2412 C CA   . MET   B 1 36  ? -32.893 -3.812  -2.547  1   58.228 ? 48  MET   B CA   1 ? 2 
ATOM   2413 C C    . MET   B 1 36  ? -32.918 -4.009  -4.03   1   59.711 ? 48  MET   B C    1 ? 2 
ATOM   2414 O O    . MET   B 1 36  ? -33.12  -3.03   -4.737  1   52.964 ? 48  MET   B O    1 ? 2 
ATOM   2415 C CB   . MET   B 1 36  ? -34.117 -4.413  -1.905  1   59.227 ? 48  MET   B CB   1 ? 2 
ATOM   2416 C CG   . MET   B 1 36  ? -34.346 -3.827  -0.581  1   67.077 ? 48  MET   B CG   1 ? 2 
ATOM   2417 S SD   . MET   B 1 36  ? -35.885 -4.569  -0.043  1   59.881 ? 48  MET   B SD   1 ? 2 
ATOM   2418 C CE   . MET   B 1 36  ? -35.019 -5.769  0.977   1   47.307 ? 48  MET   B CE   1 ? 2 
ATOM   2419 H H    . MET   B 1 36  ? -33.357 -1.791  -2.619  1   58.028 ? 48  MET   B H    1 c 2 
ATOM   2420 H HA   . MET   B 1 36  ? -32.09  -4.272  -2.196  1   55.808 ? 48  MET   B HA   1 c 2 
ATOM   2421 H HB2  . MET   B 1 36  ? -34.897 -4.248  -2.477  1   62.891 ? 48  MET   B HB2  1 c 2 
ATOM   2422 H HB3  . MET   B 1 36  ? -33.995 -5.381  -1.82   1   61.077 ? 48  MET   B HB3  1 c 2 
ATOM   2423 H HG2  . MET   B 1 36  ? -33.619 -4.049  0.034   1   61.237 ? 48  MET   B HG2  1 c 2 
ATOM   2424 H HG3  . MET   B 1 36  ? -34.443 -2.856  -0.638  1   63.059 ? 48  MET   B HG3  1 c 2 
ATOM   2425 H HE1  . MET   B 1 36  ? -35.626 -6.493  1.213   1   51.563 ? 48  MET   B HE1  1 c 2 
ATOM   2426 H HE2  . MET   B 1 36  ? -34.26  -6.129  0.483   1   48.062 ? 48  MET   B HE2  1 c 2 
ATOM   2427 H HE3  . MET   B 1 36  ? -34.7   -5.334  1.79    1   49.251 ? 48  MET   B HE3  1 c 2 
ATOM   2428 N N    . ILE   B 1 37  ? -32.734 -5.264  -4.458  1   52.099 ? 49  ILE   B N    1 ? 2 
ATOM   2429 C CA   . ILE   B 1 37  ? -32.515 -5.478  -5.861  1   45.748 ? 49  ILE   B CA   1 ? 2 
ATOM   2430 C C    . ILE   B 1 37  ? -33.684 -4.874  -6.631  1   45.291 ? 49  ILE   B C    1 ? 2 
ATOM   2431 O O    . ILE   B 1 37  ? -34.85  -5.036  -6.257  1   51.042 ? 49  ILE   B O    1 ? 2 
ATOM   2432 C CB   . ILE   B 1 37  ? -32.378 -6.984  -6.152  1   49.117 ? 49  ILE   B CB   1 ? 2 
ATOM   2433 C CG1  . ILE   B 1 37  ? -31.096 -7.536  -5.538  1   47.817 ? 49  ILE   B CG1  1 ? 2 
ATOM   2434 C CG2  . ILE   B 1 37  ? -32.466 -7.248  -7.672  1   46.957 ? 49  ILE   B CG2  1 ? 2 
ATOM   2435 C CD1  . ILE   B 1 37  ? -30.815 -8.969  -5.951  1   50.774 ? 49  ILE   B CD1  1 ? 2 
ATOM   2436 H H    . ILE   B 1 37  ? -32.754 -5.972  -3.881  1   52.203 ? 49  ILE   B H    1 c 2 
ATOM   2437 H HA   . ILE   B 1 37  ? -31.688 -5.027  -6.123  1   45.187 ? 49  ILE   B HA   1 c 2 
ATOM   2438 H HB   . ILE   B 1 37  ? -33.131 -7.438  -5.725  1   49.774 ? 49  ILE   B HB   1 c 2 
ATOM   2439 H HG12 . ILE   B 1 37  ? -30.344 -6.972  -5.812  1   46.595 ? 49  ILE   B HG12 1 c 2 
ATOM   2440 H HG13 . ILE   B 1 37  ? -31.166 -7.494  -4.563  1   48.047 ? 49  ILE   B HG13 1 c 2 
ATOM   2441 H HG21 . ILE   B 1 37  ? -32.355 -8.197  -7.848  1   48.148 ? 49  ILE   B HG21 1 c 2 
ATOM   2442 H HG22 . ILE   B 1 37  ? -31.766 -6.752  -8.13   1   46.501 ? 49  ILE   B HG22 1 c 2 
ATOM   2443 H HG23 . ILE   B 1 37  ? -33.332 -6.963  -8.006  1   49.687 ? 49  ILE   B HG23 1 c 2 
ATOM   2444 H HD11 . ILE   B 1 37  ? -31.65  -9.473  -5.985  1   51.811 ? 49  ILE   B HD11 1 c 2 
ATOM   2445 H HD12 . ILE   B 1 37  ? -30.216 -9.382  -5.3    1   48.872 ? 49  ILE   B HD12 1 c 2 
ATOM   2446 H HD13 . ILE   B 1 37  ? -30.393 -8.982  -6.831  1   49.397 ? 49  ILE   B HD13 1 c 2 
ATOM   2447 N N    . GLY   B 1 38  ? -33.35  -4.223  -7.747  1   44.236 ? 50  GLY   B N    1 ? 2 
ATOM   2448 C CA   . GLY   B 1 38  ? -34.322 -3.569  -8.613  1   48.386 ? 50  GLY   B CA   1 ? 2 
ATOM   2449 C C    . GLY   B 1 38  ? -34.46  -2.065  -8.352  1   48.699 ? 50  GLY   B C    1 ? 2 
ATOM   2450 O O    . GLY   B 1 38  ? -35.008 -1.363  -9.208  1   52.094 ? 50  GLY   B O    1 ? 2 
ATOM   2451 H H    . GLY   B 1 38  ? -32.468 -4.185  -7.985  1   43.133 ? 50  GLY   B H    1 c 2 
ATOM   2452 H HA2  . GLY   B 1 38  ? -34.051 -3.709  -9.551  1   48.063 ? 50  GLY   B HA2  1 c 2 
ATOM   2453 H HA3  . GLY   B 1 38  ? -35.2   -4.001  -8.49   1   49.958 ? 50  GLY   B HA3  1 c 2 
ATOM   2454 N N    . ASP   B 1 39  ? -34.093 -1.607  -7.149  1   48.014 ? 51  ASP   B N    1 ? 2 
ATOM   2455 C CA   . ASP   B 1 39  ? -34.276 -0.209  -6.765  1   47.681 ? 51  ASP   B CA   1 ? 2 
ATOM   2456 C C    . ASP   B 1 39  ? -33.417 0.67    -7.673  1   47.241 ? 51  ASP   B C    1 ? 2 
ATOM   2457 O O    . ASP   B 1 39  ? -32.291 0.291   -8.024  1   48.992 ? 51  ASP   B O    1 ? 2 
ATOM   2458 C CB   . ASP   B 1 39  ? -33.875 0.059   -5.308  1   49.62  ? 51  ASP   B CB   1 ? 2 
ATOM   2459 C CG   . ASP   B 1 39  ? -34.865 -0.393  -4.247  1   48.929 ? 51  ASP   B CG   1 ? 2 
ATOM   2460 O OD1  . ASP   B 1 39  ? -35.957 -0.871  -4.629  1   48.241 ? 51  ASP   B OD1  1 ? 2 
ATOM   2461 O OD2  . ASP   B 1 39  ? -34.554 -0.276  -3.039  1   52.439 ? 51  ASP   B OD2  1 ? 2 
ATOM   2462 H H    . ASP   B 1 39  ? -33.716 -2.18   -6.546  1   46.421 ? 51  ASP   B H    1 c 2 
ATOM   2463 H HA   . ASP   B 1 39  ? -35.222 0.03    -6.891  1   50.763 ? 51  ASP   B HA   1 c 2 
ATOM   2464 H HB2  . ASP   B 1 39  ? -33.02  -0.386  -5.134  1   46.301 ? 51  ASP   B HB2  1 c 2 
ATOM   2465 H HB3  . ASP   B 1 39  ? -33.737 1.023   -5.194  1   48.378 ? 51  ASP   B HB3  1 c 2 
ATOM   2466 N N    . LYS   B 1 40  ? -33.894 1.9     -7.953  1   48.475 ? 52  LYS   B N    1 ? 2 
ATOM   2467 C CA   . LYS   B 1 40  ? -33.063 2.864   -8.662  1   44.629 ? 52  LYS   B CA   1 ? 2 
ATOM   2468 C C    . LYS   B 1 40  ? -32.254 3.603   -7.608  1   45.027 ? 52  LYS   B C    1 ? 2 
ATOM   2469 O O    . LYS   B 1 40  ? -32.858 4.165   -6.698  1   51.481 ? 52  LYS   B O    1 ? 2 
ATOM   2470 C CB   . LYS   B 1 40  ? -33.945 3.755   -9.561  1   48.913 ? 52  LYS   B CB   1 ? 2 
ATOM   2471 H H    . LYS   B 1 40  ? -34.739 2.137   -7.695  1   49.648 ? 52  LYS   B H    1 c 2 
ATOM   2472 H HA   . LYS   B 1 40  ? -32.438 2.365   -9.248  1   44.744 ? 52  LYS   B HA   1 c 2 
ATOM   2473 H HB2  . LYS   B 1 40  ? -33.416 4.356   -10.071 0   30     ? 52  LYS   B HB2  1 c 2 
ATOM   2474 H HB3  . LYS   B 1 40  ? -34.93  3.574   -9.329  0   30     ? 52  LYS   B HB3  1 c 2 
ATOM   2475 N N    . VAL   B 1 41  ? -30.907 3.574   -7.736  1   44.544 ? 53  VAL   B N    1 ? 2 
ATOM   2476 C CA   . VAL   B 1 41  ? -30.039 4.106   -6.699  1   44.104 ? 53  VAL   B CA   1 ? 2 
ATOM   2477 C C    . VAL   B 1 41  ? -29.252 5.305   -7.22   1   41.693 ? 53  VAL   B C    1 ? 2 
ATOM   2478 O O    . VAL   B 1 41  ? -28.778 5.308   -8.356  1   44.73  ? 53  VAL   B O    1 ? 2 
ATOM   2479 C CB   . VAL   B 1 41  ? -29.12  2.973   -6.216  1   40.888 ? 53  VAL   B CB   1 ? 2 
ATOM   2480 C CG1  . VAL   B 1 41  ? -28.163 3.499   -5.197  1   41.836 ? 53  VAL   B CG1  1 ? 2 
ATOM   2481 C CG2  . VAL   B 1 41  ? -29.936 1.874   -5.609  1   47.475 ? 53  VAL   B CG2  1 ? 2 
ATOM   2482 H H    . VAL   B 1 41  ? -30.53  3.217   -8.489  1   43.833 ? 53  VAL   B H    1 c 2 
ATOM   2483 H HA   . VAL   B 1 41  ? -30.592 4.397   -5.948  1   44.084 ? 53  VAL   B HA   1 c 2 
ATOM   2484 H HB   . VAL   B 1 41  ? -28.622 2.628   -6.994  1   41.889 ? 53  VAL   B HB   1 c 2 
ATOM   2485 H HG11 . VAL   B 1 41  ? -28.615 4.145   -4.629  1   42.014 ? 53  VAL   B HG11 1 c 2 
ATOM   2486 H HG12 . VAL   B 1 41  ? -27.415 3.929   -5.644  1   40.568 ? 53  VAL   B HG12 1 c 2 
ATOM   2487 H HG13 . VAL   B 1 41  ? -27.832 2.766   -4.651  1   39.879 ? 53  VAL   B HG13 1 c 2 
ATOM   2488 H HG21 . VAL   B 1 41  ? -29.346 1.206   -5.221  1   43.875 ? 53  VAL   B HG21 1 c 2 
ATOM   2489 H HG22 . VAL   B 1 41  ? -30.484 1.458   -6.296  1   46.3   ? 53  VAL   B HG22 1 c 2 
ATOM   2490 H HG23 . VAL   B 1 41  ? -30.51  2.24    -4.916  1   46.329 ? 53  VAL   B HG23 1 c 2 
ATOM   2491 N N    . TYR   B 1 42  ? -29.144 6.346   -6.373  1   40.91  ? 54  TYR   B N    1 ? 2 
ATOM   2492 C CA   . TYR   B 1 42  ? -28.481 7.611   -6.687  1   40.281 ? 54  TYR   B CA   1 ? 2 
ATOM   2493 C C    . TYR   B 1 42  ? -27.274 7.789   -5.748  1   41.828 ? 54  TYR   B C    1 ? 2 
ATOM   2494 O O    . TYR   B 1 42  ? -27.444 7.828   -4.527  1   41.107 ? 54  TYR   B O    1 ? 2 
ATOM   2495 C CB   . TYR   B 1 42  ? -29.435 8.794   -6.465  1   45.937 ? 54  TYR   B CB   1 ? 2 
ATOM   2496 C CG   . TYR   B 1 42  ? -30.679 8.815   -7.344  1   47.662 ? 54  TYR   B CG   1 ? 2 
ATOM   2497 C CD1  . TYR   B 1 42  ? -31.745 7.946   -7.12   1   50.052 ? 54  TYR   B CD1  1 ? 2 
ATOM   2498 C CD2  . TYR   B 1 42  ? -30.755 9.673   -8.429  1   53.704 ? 54  TYR   B CD2  1 ? 2 
ATOM   2499 C CE1  . TYR   B 1 42  ? -32.904 8.007   -7.905  1   55.187 ? 54  TYR   B CE1  1 ? 2 
ATOM   2500 C CE2  . TYR   B 1 42  ? -31.903 9.749   -9.205  1   55.332 ? 54  TYR   B CE2  1 ? 2 
ATOM   2501 C CZ   . TYR   B 1 42  ? -32.953 8.888   -8.963  1   56.802 ? 54  TYR   B CZ   1 ? 2 
ATOM   2502 O OH   . TYR   B 1 42  ? -34.058 8.986   -9.758  1   65.923 ? 54  TYR   B OH   1 ? 2 
ATOM   2503 H H    . TYR   B 1 42  ? -29.509 6.257   -5.54   1   40.999 ? 54  TYR   B H    1 c 2 
ATOM   2504 H HA   . TYR   B 1 42  ? -28.174 7.603   -7.632  1   41.799 ? 54  TYR   B HA   1 c 2 
ATOM   2505 H HB2  . TYR   B 1 42  ? -29.718 8.788   -5.524  1   45.077 ? 54  TYR   B HB2  1 c 2 
ATOM   2506 H HB3  . TYR   B 1 42  ? -28.933 9.626   -6.613  1   45.727 ? 54  TYR   B HB3  1 c 2 
ATOM   2507 H HD1  . TYR   B 1 42  ? -31.713 7.353   -6.386  1   48.956 ? 54  TYR   B HD1  1 c 2 
ATOM   2508 H HD2  . TYR   B 1 42  ? -30.048 10.277  -8.592  1   52.442 ? 54  TYR   B HD2  1 c 2 
ATOM   2509 H HE1  . TYR   B 1 42  ? -33.626 7.426   -7.736  1   55.058 ? 54  TYR   B HE1  1 c 2 
ATOM   2510 H HE2  . TYR   B 1 42  ? -31.945 10.349  -9.93   1   57.459 ? 54  TYR   B HE2  1 c 2 
ATOM   2511 H HH   . TYR   B 1 42  ? -34.637 8.441   -9.516  0   30     ? 54  TYR   B HH   1 c 2 
ATOM   2512 N N    . VAL   B 1 43  ? -26.062 7.881   -6.339  1   39.098 ? 55  VAL   B N    1 ? 2 
ATOM   2513 C CA   . VAL   B 1 43  ? -24.852 8.042   -5.543  1   39.681 ? 55  VAL   B CA   1 ? 2 
ATOM   2514 C C    . VAL   B 1 43  ? -23.969 9.166   -6.094  1   40.772 ? 55  VAL   B C    1 ? 2 
ATOM   2515 O O    . VAL   B 1 43  ? -24.1   9.599   -7.263  1   41.315 ? 55  VAL   B O    1 ? 2 
ATOM   2516 C CB   . VAL   B 1 43  ? -24.044 6.718   -5.438  1   35.272 ? 55  VAL   B CB   1 ? 2 
ATOM   2517 C CG1  . VAL   B 1 43  ? -24.931 5.58    -4.979  1   33.337 ? 55  VAL   B CG1  1 ? 2 
ATOM   2518 C CG2  . VAL   B 1 43  ? -23.326 6.438   -6.763  1   33.194 ? 55  VAL   B CG2  1 ? 2 
ATOM   2519 H H    . VAL   B 1 43  ? -25.993 7.842   -7.249  1   40.293 ? 55  VAL   B H    1 c 2 
ATOM   2520 H HA   . VAL   B 1 43  ? -25.124 8.295   -4.642  1   39.22  ? 55  VAL   B HA   1 c 2 
ATOM   2521 H HB   . VAL   B 1 43  ? -23.354 6.854   -4.748  1   34.393 ? 55  VAL   B HB   1 c 2 
ATOM   2522 H HG11 . VAL   B 1 43  ? -25.52  5.314   -5.706  1   34.315 ? 55  VAL   B HG11 1 c 2 
ATOM   2523 H HG12 . VAL   B 1 43  ? -25.465 5.87    -4.221  1   34.336 ? 55  VAL   B HG12 1 c 2 
ATOM   2524 H HG13 . VAL   B 1 43  ? -24.38  4.824   -4.716  1   32.274 ? 55  VAL   B HG13 1 c 2 
ATOM   2525 H HG21 . VAL   B 1 43  ? -23.074 5.502   -6.8    1   32.45  ? 55  VAL   B HG21 1 c 2 
ATOM   2526 H HG22 . VAL   B 1 43  ? -22.526 6.988   -6.824  1   33.894 ? 55  VAL   B HG22 1 c 2 
ATOM   2527 H HG23 . VAL   B 1 43  ? -23.918 6.643   -7.505  1   34.926 ? 55  VAL   B HG23 1 c 2 
ATOM   2528 N N    . HIS   B 1 44  ? -23.071 9.637   -5.211  1   40.669 ? 56  HIS   B N    1 ? 2 
ATOM   2529 C CA   . HIS   B 1 44  ? -21.794 10.237  -5.598  1   40.778 ? 56  HIS   B CA   1 ? 2 
ATOM   2530 C C    . HIS   B 1 44  ? -20.684 9.267   -5.201  1   37.773 ? 56  HIS   B C    1 ? 2 
ATOM   2531 O O    . HIS   B 1 44  ? -20.779 8.559   -4.217  1   37.737 ? 56  HIS   B O    1 ? 2 
ATOM   2532 C CB   . HIS   B 1 44  ? -21.51  11.633  -4.953  1   41.304 ? 56  HIS   B CB   1 ? 2 
ATOM   2533 C CG   . HIS   B 1 44  ? -22.12  12.737  -5.711  1   45.395 ? 56  HIS   B CG   1 ? 2 
ATOM   2534 N ND1  . HIS   B 1 44  ? -21.903 12.876  -7.068  1   52.73  ? 56  HIS   B ND1  1 ? 2 
ATOM   2535 C CD2  . HIS   B 1 44  ? -23.06  13.586  -5.388  1   47.499 ? 56  HIS   B CD2  1 ? 2 
ATOM   2536 C CE1  . HIS   B 1 44  ? -22.633 13.888  -7.525  1   57.138 ? 56  HIS   B CE1  1 ? 2 
ATOM   2537 N NE2  . HIS   B 1 44  ? -23.337 14.345  -6.507  1   55.877 ? 56  HIS   B NE2  1 ? 2 
ATOM   2538 H H    . HIS   B 1 44  ? -23.269 9.583   -4.32   1   40.278 ? 56  HIS   B H    1 c 2 
ATOM   2539 H HA   . HIS   B 1 44  ? -21.785 10.329  -6.581  1   41.073 ? 56  HIS   B HA   1 c 2 
ATOM   2540 H HB2  . HIS   B 1 44  ? -21.863 11.638  -4.037  1   41.803 ? 56  HIS   B HB2  1 c 2 
ATOM   2541 H HB3  . HIS   B 1 44  ? -20.538 11.773  -4.91   1   41.764 ? 56  HIS   B HB3  1 c 2 
ATOM   2542 H HD1  . HIS   B 1 44  ? -21.415 12.396  -7.587  0   30     ? 56  HIS   B HD1  1 c 2 
ATOM   2543 H HD2  . HIS   B 1 44  ? -23.42  13.722  -4.534  1   48.926 ? 56  HIS   B HD2  1 c 2 
ATOM   2544 H HE1  . HIS   B 1 44  ? -22.639 14.226  -8.404  1   57.545 ? 56  HIS   B HE1  1 c 2 
ATOM   2545 H HE2  . HIS   B 1 44  ? -23.918 15.061  -6.551  0   30     ? 56  HIS   B HE2  1 c 2 
ATOM   2546 N N    . TYR   B 1 45  ? -19.648 9.179   -6.037  1   36.498 ? 57  TYR   B N    1 ? 2 
ATOM   2547 C CA   . TYR   B 1 45  ? -18.555 8.276   -5.753  1   33.398 ? 57  TYR   B CA   1 ? 2 
ATOM   2548 C C    . TYR   B 1 45  ? -17.245 8.923   -6.191  1   33.928 ? 57  TYR   B C    1 ? 2 
ATOM   2549 O O    . TYR   B 1 45  ? -17.193 9.677   -7.167  1   38.695 ? 57  TYR   B O    1 ? 2 
ATOM   2550 C CB   . TYR   B 1 45  ? -18.819 6.893   -6.41   1   28.141 ? 57  TYR   B CB   1 ? 2 
ATOM   2551 C CG   . TYR   B 1 45  ? -18.561 6.819   -7.905  1   31.38  ? 57  TYR   B CG   1 ? 2 
ATOM   2552 C CD1  . TYR   B 1 45  ? -17.288 6.575   -8.435  1   31.602 ? 57  TYR   B CD1  1 ? 2 
ATOM   2553 C CD2  . TYR   B 1 45  ? -19.582 7.071   -8.793  1   34.491 ? 57  TYR   B CD2  1 ? 2 
ATOM   2554 C CE1  . TYR   B 1 45  ? -17.087 6.574   -9.802  1   38.981 ? 57  TYR   B CE1  1 ? 2 
ATOM   2555 C CE2  . TYR   B 1 45  ? -19.39  7.051   -10.164 1   38.107 ? 57  TYR   B CE2  1 ? 2 
ATOM   2556 C CZ   . TYR   B 1 45  ? -18.137 6.813   -10.678 1   34.116 ? 57  TYR   B CZ   1 ? 2 
ATOM   2557 O OH   . TYR   B 1 45  ? -17.927 6.799   -12.041 1   42.205 ? 57  TYR   B OH   1 ? 2 
ATOM   2558 H H    . TYR   B 1 45  ? -19.623 9.688   -6.795  1   37.706 ? 57  TYR   B H    1 c 2 
ATOM   2559 H HA   . TYR   B 1 45  ? -18.517 8.145   -4.772  1   32.318 ? 57  TYR   B HA   1 c 2 
ATOM   2560 H HB2  . TYR   B 1 45  ? -18.254 6.226   -5.961  1   28.251 ? 57  TYR   B HB2  1 c 2 
ATOM   2561 H HB3  . TYR   B 1 45  ? -19.755 6.646   -6.241  1   29.351 ? 57  TYR   B HB3  1 c 2 
ATOM   2562 H HD1  . TYR   B 1 45  ? -16.559 6.423   -7.855  1   32.22  ? 57  TYR   B HD1  1 c 2 
ATOM   2563 H HD2  . TYR   B 1 45  ? -20.446 7.247   -8.457  1   34.867 ? 57  TYR   B HD2  1 c 2 
ATOM   2564 H HE1  . TYR   B 1 45  ? -16.229 6.398   -10.143 1   35.957 ? 57  TYR   B HE1  1 c 2 
ATOM   2565 H HE2  . TYR   B 1 45  ? -20.112 7.221   -10.745 1   37.59  ? 57  TYR   B HE2  1 c 2 
ATOM   2566 H HH   . TYR   B 1 45  ? -17.1   6.632   -12.154 0   30     ? 57  TYR   B HH   1 c 2 
ATOM   2567 N N    . LYS   B 1 46  ? -16.202 8.467   -5.525  1   36.632 ? 58  LYS   B N    1 ? 2 
ATOM   2568 C CA   . LYS   B 1 46  ? -14.829 8.592   -5.961  1   38.575 ? 58  LYS   B CA   1 ? 2 
ATOM   2569 C C    . LYS   B 1 46  ? -14.232 7.205   -6.003  1   34.706 ? 58  LYS   B C    1 ? 2 
ATOM   2570 O O    . LYS   B 1 46  ? -14.332 6.478   -5.026  1   37.093 ? 58  LYS   B O    1 ? 2 
ATOM   2571 C CB   . LYS   B 1 46  ? -14.008 9.427   -4.964  1   35.335 ? 58  LYS   B CB   1 ? 2 
ATOM   2572 H H    . LYS   B 1 46  ? -16.356 8.042   -4.73   1   34.928 ? 58  LYS   B H    1 c 2 
ATOM   2573 H HA   . LYS   B 1 46  ? -14.805 8.997   -6.865  1   38.277 ? 58  LYS   B HA   1 c 2 
ATOM   2574 H HB2  . LYS   B 1 46  ? -13.039 9.332   -5.257  0   30     ? 58  LYS   B HB2  1 c 2 
ATOM   2575 H HB3  . LYS   B 1 46  ? -14.607 10.031  -4.544  0   30     ? 58  LYS   B HB3  1 c 2 
ATOM   2576 N N    . GLY   B 1 47  ? -13.642 6.805   -7.138  1   37.033 ? 59  GLY   B N    1 ? 2 
ATOM   2577 C CA   . GLY   B 1 47  ? -13.033 5.503   -7.194  1   33.822 ? 59  GLY   B CA   1 ? 2 
ATOM   2578 C C    . GLY   B 1 47  ? -11.628 5.576   -7.754  1   37.689 ? 59  GLY   B C    1 ? 2 
ATOM   2579 O O    . GLY   B 1 47  ? -11.25  6.593   -8.322  1   41.698 ? 59  GLY   B O    1 ? 2 
ATOM   2580 H H    . GLY   B 1 47  ? -13.623 7.348   -7.873  1   37.403 ? 59  GLY   B H    1 c 2 
ATOM   2581 H HA2  . GLY   B 1 47  ? -13.005 5.116   -6.292  1   33.816 ? 59  GLY   B HA2  1 c 2 
ATOM   2582 H HA3  . GLY   B 1 47  ? -13.584 4.914   -7.761  1   34.188 ? 59  GLY   B HA3  1 c 2 
ATOM   2583 N N    . LYS   B 1 48  ? -10.848 4.53    -7.525  1   34.014 ? 60  LYS   B N    1 ? 2 
ATOM   2584 C CA   . LYS   B 1 48  ? -9.515  4.456   -8.098  1   35.2   ? 60  LYS   B CA   1 ? 2 
ATOM   2585 C C    . LYS   B 1 48  ? -9.002  3.016   -8.02   1   35.284 ? 60  LYS   B C    1 ? 2 
ATOM   2586 O O    . LYS   B 1 48  ? -9.58   2.189   -7.328  1   30.529 ? 60  LYS   B O    1 ? 2 
ATOM   2587 C CB   . LYS   B 1 48  ? -8.558  5.394   -7.36   1   38.902 ? 60  LYS   B CB   1 ? 2 
ATOM   2588 C CG   . LYS   B 1 48  ? -8.428  5.116   -5.908  1   39.312 ? 60  LYS   B CG   1 ? 2 
ATOM   2589 C CD   . LYS   B 1 48  ? -7.157  5.658   -5.298  1   41.117 ? 60  LYS   B CD   1 ? 2 
ATOM   2590 C CE   . LYS   B 1 48  ? -7.23   5.759   -3.796  1   48.093 ? 60  LYS   B CE   1 ? 2 
ATOM   2591 N NZ   . LYS   B 1 48  ? -6.019  6.463   -3.293  1   53.225 ? 60  LYS   B NZ   1 ? 2 
ATOM   2592 H H    . LYS   B 1 48  ? -11.146 3.845   -6.999  1   33.285 ? 60  LYS   B H    1 c 2 
ATOM   2593 H HA   . LYS   B 1 48  ? -9.572  4.722   -9.049  1   36.973 ? 60  LYS   B HA   1 c 2 
ATOM   2594 H HB2  . LYS   B 1 48  ? -7.669  5.32    -7.768  1   39.913 ? 60  LYS   B HB2  1 c 2 
ATOM   2595 H HB3  . LYS   B 1 48  ? -8.863  6.318   -7.475  1   39.846 ? 60  LYS   B HB3  1 c 2 
ATOM   2596 H HG2  . LYS   B 1 48  ? -9.198  5.511   -5.445  1   38.632 ? 60  LYS   B HG2  1 c 2 
ATOM   2597 H HG3  . LYS   B 1 48  ? -8.459  4.146   -5.767  1   37.644 ? 60  LYS   B HG3  1 c 2 
ATOM   2598 H HD2  . LYS   B 1 48  ? -6.412  5.069   -5.542  1   42.944 ? 60  LYS   B HD2  1 c 2 
ATOM   2599 H HD3  . LYS   B 1 48  ? -6.977  6.549   -5.67   1   44.345 ? 60  LYS   B HD3  1 c 2 
ATOM   2600 H HE2  . LYS   B 1 48  ? -8.025  6.255   -3.531  1   46.548 ? 60  LYS   B HE2  1 c 2 
ATOM   2601 H HE3  . LYS   B 1 48  ? -7.272  4.869   -3.403  1   45.514 ? 60  LYS   B HE3  1 c 2 
ATOM   2602 H HZ1  . LYS   B 1 48  ? -5.995  7.306   -3.625  1   53.647 ? 60  LYS   B HZ1  1 c 2 
ATOM   2603 H HZ2  . LYS   B 1 48  ? -5.275  6.019   -3.555  1   52.673 ? 60  LYS   B HZ2  1 c 2 
ATOM   2604 H HZ3  . LYS   B 1 48  ? -6.041  6.501   -2.388  1   52.221 ? 60  LYS   B HZ3  1 c 2 
ATOM   2605 N N    . LEU   B 1 49  ? -7.974  2.737   -8.793  1   36.076 ? 61  LEU   B N    1 ? 2 
ATOM   2606 C CA   . LEU   B 1 49  ? -7.234  1.479   -8.593  1   40.637 ? 61  LEU   B CA   1 ? 2 
ATOM   2607 C C    . LEU   B 1 49  ? -6.533  1.579   -7.233  1   38.658 ? 61  LEU   B C    1 ? 2 
ATOM   2608 O O    . LEU   B 1 49  ? -6.133  2.667   -6.829  1   41.703 ? 61  LEU   B O    1 ? 2 
ATOM   2609 C CB   . LEU   B 1 49  ? -6.227  1.218   -9.693  1   36.129 ? 61  LEU   B CB   1 ? 2 
ATOM   2610 C CG   . LEU   B 1 49  ? -6.715  1.324   -11.141 1   39.922 ? 61  LEU   B CG   1 ? 2 
ATOM   2611 C CD1  . LEU   B 1 49  ? -5.572  1.019   -12.085 1   40.319 ? 61  LEU   B CD1  1 ? 2 
ATOM   2612 C CD2  . LEU   B 1 49  ? -7.837  0.394   -11.333 1   38.819 ? 61  LEU   B CD2  1 ? 2 
ATOM   2613 H H    . LEU   B 1 49  ? -7.709  3.321   -9.444  1   38.648 ? 61  LEU   B H    1 c 2 
ATOM   2614 H HA   . LEU   B 1 49  ? -7.885  0.732   -8.562  1   36.564 ? 61  LEU   B HA   1 c 2 
ATOM   2615 H HB2  . LEU   B 1 49  ? -5.479  1.848   -9.575  1   39.585 ? 61  LEU   B HB2  1 c 2 
ATOM   2616 H HB3  . LEU   B 1 49  ? -5.859  0.314   -9.558  1   37.643 ? 61  LEU   B HB3  1 c 2 
ATOM   2617 H HG   . LEU   B 1 49  ? -7.03   2.25    -11.306 1   39.933 ? 61  LEU   B HG   1 c 2 
ATOM   2618 H HD11 . LEU   B 1 49  ? -4.855  1.66    -11.945 1   42.242 ? 61  LEU   B HD11 1 c 2 
ATOM   2619 H HD12 . LEU   B 1 49  ? -5.885  1.079   -13.003 1   41.522 ? 61  LEU   B HD12 1 c 2 
ATOM   2620 H HD13 . LEU   B 1 49  ? -5.241  0.122   -11.914 1   40.227 ? 61  LEU   B HD13 1 c 2 
ATOM   2621 H HD21 . LEU   B 1 49  ? -8.627  0.741   -10.886 1   37.701 ? 61  LEU   B HD21 1 c 2 
ATOM   2622 H HD22 . LEU   B 1 49  ? -7.609  -0.474  -10.959 1   37.716 ? 61  LEU   B HD22 1 c 2 
ATOM   2623 H HD23 . LEU   B 1 49  ? -8.021  0.298   -12.283 1   39.291 ? 61  LEU   B HD23 1 c 2 
ATOM   2624 N N    . SER   B 1 50  ? -6.483  0.485   -6.489  1   34.818 ? 62  SER   B N    1 ? 2 
ATOM   2625 C CA   . SER   B 1 50  ? -6.037  0.547   -5.113  1   38.07  ? 62  SER   B CA   1 ? 2 
ATOM   2626 C C    . SER   B 1 50  ? -4.638  1.137   -4.969  1   43.882 ? 62  SER   B C    1 ? 2 
ATOM   2627 O O    . SER   B 1 50  ? -4.336  1.748   -3.943  1   45.934 ? 62  SER   B O    1 ? 2 
ATOM   2628 C CB   . SER   B 1 50  ? -6.098  -0.821  -4.413  1   38.758 ? 62  SER   B CB   1 ? 2 
ATOM   2629 O OG   . SER   B 1 50  ? -5.184  -1.704  -5.043  1   44.754 ? 62  SER   B OG   1 ? 2 
ATOM   2630 H H    . SER   B 1 50  ? -6.729  -0.321  -6.843  1   35.411 ? 62  SER   B H    1 c 2 
ATOM   2631 H HA   . SER   B 1 50  ? -6.659  1.151   -4.634  1   38.015 ? 62  SER   B HA   1 c 2 
ATOM   2632 H HB2  . SER   B 1 50  ? -5.865  -0.719  -3.471  1   39.638 ? 62  SER   B HB2  1 c 2 
ATOM   2633 H HB3  . SER   B 1 50  ? -7.002  -1.179  -4.476  1   38.201 ? 62  SER   B HB3  1 c 2 
ATOM   2634 H HG   . SER   B 1 50  ? -5.213  -2.479  -4.675  0   30     ? 62  SER   B HG   1 c 2 
ATOM   2635 N N    . ASN   B 1 51  ? -3.769  0.95    -5.932  1   42.939 ? 63  ASN   B N    1 ? 2 
ATOM   2636 C CA   . ASN   B 1 51  ? -2.42   1.512   -5.834  1   57.424 ? 63  ASN   B CA   1 ? 2 
ATOM   2637 C C    . ASN   B 1 51  ? -2.324  2.989   -6.269  1   68.626 ? 63  ASN   B C    1 ? 2 
ATOM   2638 O O    . ASN   B 1 51  ? -1.213  3.54    -6.269  1   63.965 ? 63  ASN   B O    1 ? 2 
ATOM   2639 C CB   . ASN   B 1 51  ? -1.475  0.687   -6.689  1   57.726 ? 63  ASN   B CB   1 ? 2 
ATOM   2640 C CG   . ASN   B 1 51  ? -1.95   0.719   -8.114  1   61.071 ? 63  ASN   B CG   1 ? 2 
ATOM   2641 O OD1  . ASN   B 1 51  ? -2.65   1.68    -8.496  1   59.721 ? 63  ASN   B OD1  1 ? 2 
ATOM   2642 N ND2  . ASN   B 1 51  ? -1.576  -0.306  -8.876  1   62.508 ? 63  ASN   B ND2  1 ? 2 
ATOM   2643 H H    . ASN   B 1 51  ? -3.996  0.455   -6.665  1   45.408 ? 63  ASN   B H    1 c 2 
ATOM   2644 H HA   . ASN   B 1 51  ? -2.116  1.438   -4.901  1   56.034 ? 63  ASN   B HA   1 c 2 
ATOM   2645 H HB2  . ASN   B 1 51  ? -0.57   1.054   -6.634  1   60.691 ? 63  ASN   B HB2  1 c 2 
ATOM   2646 H HB3  . ASN   B 1 51  ? -1.458  -0.236  -6.367  1   57.765 ? 63  ASN   B HB3  1 c 2 
ATOM   2647 H HD21 . ASN   B 1 51  ? -1.949  -0.423  -9.672  1   62.006 ? 63  ASN   B HD21 1 c 2 
ATOM   2648 H HD22 . ASN   B 1 51  ? -0.953  -0.87   -8.589  1   62.518 ? 63  ASN   B HD22 1 c 2 
ATOM   2649 N N    . GLY   B 1 52  ? -3.455  3.597   -6.705  1   68.521 ? 64  GLY   B N    1 ? 2 
ATOM   2650 C CA   . GLY   B 1 52  ? -3.595  5.034   -6.917  1   58.537 ? 64  GLY   B CA   1 ? 2 
ATOM   2651 C C    . GLY   B 1 52  ? -3.33   5.49    -8.354  1   64.007 ? 64  GLY   B C    1 ? 2 
ATOM   2652 O O    . GLY   B 1 52  ? -2.967  6.645   -8.533  1   79.659 ? 64  GLY   B O    1 ? 2 
ATOM   2653 H H    . GLY   B 1 52  ? -4.177  3.071   -6.896  1   63.273 ? 64  GLY   B H    1 c 2 
ATOM   2654 H HA2  . GLY   B 1 52  ? -4.508  5.3     -6.662  1   60.591 ? 64  GLY   B HA2  1 c 2 
ATOM   2655 H HA3  . GLY   B 1 52  ? -2.972  5.503   -6.312  1   63.21  ? 64  GLY   B HA3  1 c 2 
ATOM   2656 N N    . LYS   B 1 53  ? -3.514  4.658   -9.395  1   70.207 ? 65  LYS   B N    1 ? 2 
ATOM   2657 C CA   . LYS   B 1 53  ? -2.997  5.052   -10.712 1   70.712 ? 65  LYS   B CA   1 ? 2 
ATOM   2658 C C    . LYS   B 1 53  ? -4.066  5.639   -11.662 1   73.975 ? 65  LYS   B C    1 ? 2 
ATOM   2659 O O    . LYS   B 1 53  ? -3.694  6.176   -12.706 1   80.858 ? 65  LYS   B O    1 ? 2 
ATOM   2660 C CB   . LYS   B 1 53  ? -2.115  3.934   -11.299 1   68.947 ? 65  LYS   B CB   1 ? 2 
ATOM   2661 H H    . LYS   B 1 53  ? -3.957  3.864   -9.295  1   66.226 ? 65  LYS   B H    1 c 2 
ATOM   2662 H HA   . LYS   B 1 53  ? -2.353  5.787   -10.552 1   73.23  ? 65  LYS   B HA   1 c 2 
ATOM   2663 H HB2  . LYS   B 1 53  ? -1.207  4.241   -11.205 0   30     ? 65  LYS   B HB2  1 c 2 
ATOM   2664 H HB3  . LYS   B 1 53  ? -2.764  3.346   -11.68  0   30     ? 65  LYS   B HB3  1 c 2 
ATOM   2665 N N    . LYS   B 1 54  ? -5.367  5.601   -11.313 1   71.204 ? 66  LYS   B N    1 ? 2 
ATOM   2666 C CA   . LYS   B 1 54  ? -6.471  6.228   -12.063 1   57.234 ? 66  LYS   B CA   1 ? 2 
ATOM   2667 C C    . LYS   B 1 54  ? -7.586  6.539   -11.058 1   53.344 ? 66  LYS   B C    1 ? 2 
ATOM   2668 O O    . LYS   B 1 54  ? -7.822  5.674   -10.226 1   61.978 ? 66  LYS   B O    1 ? 2 
ATOM   2669 C CB   . LYS   B 1 54  ? -7.086  5.24    -13.071 1   56.546 ? 66  LYS   B CB   1 ? 2 
ATOM   2670 H H    . LYS   B 1 54  ? -5.583  5.146   -10.55  1   65.849 ? 66  LYS   B H    1 c 2 
ATOM   2671 H HA   . LYS   B 1 54  ? -6.153  7.058   -12.499 1   61.525 ? 66  LYS   B HA   1 c 2 
ATOM   2672 H HB2  . LYS   B 1 54  ? -6.231  4.661   -13.401 0   30     ? 66  LYS   B HB2  1 c 2 
ATOM   2673 H HB3  . LYS   B 1 54  ? -7.994  5.077   -12.987 0   30     ? 66  LYS   B HB3  1 c 2 
ATOM   2674 N N    A PHE   B 1 55  ? -8.153  7.757   -11.093 0.5 52.986 ? 67  PHE   B N    1 ? 2 
ATOM   2675 N N    B PHE   B 1 55  ? -8.285  7.656   -11.237 0.5 52.807 ? 67  PHE   B N    1 ? 2 
ATOM   2676 C CA   A PHE   B 1 55  ? -9.113  8.303   -10.133 0.5 54.177 ? 67  PHE   B CA   1 ? 2 
ATOM   2677 C CA   B PHE   B 1 55  ? -9.118  8.309   -10.239 0.5 53.707 ? 67  PHE   B CA   1 ? 2 
ATOM   2678 C C    A PHE   B 1 55  ? -10.341 8.851   -10.86  0.5 50.199 ? 67  PHE   B C    1 ? 2 
ATOM   2679 C C    B PHE   B 1 55  ? -10.368 8.857   -10.911 0.5 50.221 ? 67  PHE   B C    1 ? 2 
ATOM   2680 O O    A PHE   B 1 55  ? -10.268 9.872   -11.536 0.5 55.794 ? 67  PHE   B O    1 ? 2 
ATOM   2681 O O    B PHE   B 1 55  ? -10.315 9.849   -11.633 0.5 55.118 ? 67  PHE   B O    1 ? 2 
ATOM   2682 C CB   A PHE   B 1 55  ? -8.478  9.406   -9.287  0.5 54.961 ? 67  PHE   B CB   1 ? 2 
ATOM   2683 C CB   B PHE   B 1 55  ? -8.381  9.464   -9.579  0.5 54.242 ? 67  PHE   B CB   1 ? 2 
ATOM   2684 C CG   A PHE   B 1 55  ? -8.944  9.452   -7.831  0.5 57.061 ? 67  PHE   B CG   1 ? 2 
ATOM   2685 C CG   B PHE   B 1 55  ? -7.012  9.155   -8.994  0.5 58.811 ? 67  PHE   B CG   1 ? 2 
ATOM   2686 C CD1  A PHE   B 1 55  ? -10.278 9.259   -7.49   0.5 55.818 ? 67  PHE   B CD1  1 ? 2 
ATOM   2687 C CD1  B PHE   B 1 55  ? -6.852  9.009   -7.617  0.5 57.999 ? 67  PHE   B CD1  1 ? 2 
ATOM   2688 C CD2  A PHE   B 1 55  ? -8.024  9.593   -6.794  0.5 58.018 ? 67  PHE   B CD2  1 ? 2 
ATOM   2689 C CD2  B PHE   B 1 55  ? -5.88   9.104   -9.8    0.5 57.251 ? 67  PHE   B CD2  1 ? 2 
ATOM   2690 C CE1  A PHE   B 1 55  ? -10.667 9.223   -6.16   0.5 61.267 ? 67  PHE   B CE1  1 ? 2 
ATOM   2691 C CE1  B PHE   B 1 55  ? -5.597  8.774   -7.08   0.5 58.749 ? 67  PHE   B CE1  1 ? 2 
ATOM   2692 C CE2  A PHE   B 1 55  ? -8.43   9.574   -5.46   0.5 55.613 ? 67  PHE   B CE2  1 ? 2 
ATOM   2693 C CE2  B PHE   B 1 55  ? -4.638  8.87    -9.248  0.5 57.947 ? 67  PHE   B CE2  1 ? 2 
ATOM   2694 C CZ   A PHE   B 1 55  ? -9.746  9.401   -5.15   0.5 57.992 ? 67  PHE   B CZ   1 ? 2 
ATOM   2695 C CZ   B PHE   B 1 55  ? -4.504  8.69    -7.897  0.5 57.087 ? 67  PHE   B CZ   1 ? 2 
ATOM   2696 H H    A PHE   B 1 55  ? -7.915  8.298   -11.79  0.5 55.859 ? 67  PHE   B H    1 c 2 
ATOM   2697 H H    B PHE   B 1 55  ? -8.234  8.05    -12.061 0.5 55.26  ? 67  PHE   B H    1 c 2 
ATOM   2698 H HA   A PHE   B 1 55  ? -9.402  7.572   -9.529  0.5 50.681 ? 67  PHE   B HA   1 c 2 
ATOM   2699 H HA   B PHE   B 1 55  ? -9.378  7.649   -9.546  0.5 50.385 ? 67  PHE   B HA   1 c 2 
ATOM   2700 H HB2  A PHE   B 1 55  ? -7.503  9.285   -9.302  0.5 56.853 ? 67  PHE   B HB2  1 c 2 
ATOM   2701 H HB2  B PHE   B 1 55  ? -8.279  10.18   -10.245 0.5 57.569 ? 67  PHE   B HB2  1 c 2 
ATOM   2702 H HB3  A PHE   B 1 55  ? -8.676  10.272  -9.709  0.5 57.763 ? 67  PHE   B HB3  1 c 2 
ATOM   2703 H HB3  B PHE   B 1 55  ? -8.952  9.819   -8.862  0.5 54.953 ? 67  PHE   B HB3  1 c 2 
ATOM   2704 H HD1  A PHE   B 1 55  ? -10.919 9.131   -8.17   0.5 56.71  ? 67  PHE   B HD1  1 c 2 
ATOM   2705 H HD1  B PHE   B 1 55  ? -7.605  9.058   -7.05   0.5 56.626 ? 67  PHE   B HD1  1 c 2 
ATOM   2706 H HD2  A PHE   B 1 55  ? -7.11   9.709   -7      0.5 59.056 ? 67  PHE   B HD2  1 c 2 
ATOM   2707 H HD2  B PHE   B 1 55  ? -5.966  9.219   -10.733 0.5 59.036 ? 67  PHE   B HD2  1 c 2 
ATOM   2708 H HE1  A PHE   B 1 55  ? -11.576 9.116   -5.946  0.5 57.456 ? 67  PHE   B HE1  1 c 2 
ATOM   2709 H HE1  B PHE   B 1 55  ? -5.5    8.652   -6.149  0.5 57.229 ? 67  PHE   B HE1  1 c 2 
ATOM   2710 H HE2  A PHE   B 1 55  ? -7.794  9.693   -4.773  0.5 57.49  ? 67  PHE   B HE2  1 c 2 
ATOM   2711 H HE2  B PHE   B 1 55  ? -3.88   8.813   -9.807  0.5 59.795 ? 67  PHE   B HE2  1 c 2 
ATOM   2712 H HZ   A PHE   B 1 55  ? -10.024 9.397   -4.248  0.5 57.19  ? 67  PHE   B HZ   1 c 2 
ATOM   2713 H HZ   B PHE   B 1 55  ? -3.652  8.535   -7.524  0.5 58.797 ? 67  PHE   B HZ   1 c 2 
ATOM   2714 N N    . ASP   B 1 56  ? -11.492 8.19    -10.681 1   48.068 ? 68  ASP   B N    1 ? 2 
ATOM   2715 C CA   . ASP   B 1 56  ? -12.728 8.444   -11.414 1   42.288 ? 68  ASP   B CA   1 ? 2 
ATOM   2716 C C    . ASP   B 1 56  ? -13.758 8.929   -10.412 1   49.491 ? 68  ASP   B C    1 ? 2 
ATOM   2717 O O    . ASP   B 1 56  ? -13.95  8.32    -9.351  1   43.37  ? 68  ASP   B O    1 ? 2 
ATOM   2718 C CB   . ASP   B 1 56  ? -13.255 7.181   -12.102 1   40.796 ? 68  ASP   B CB   1 ? 2 
ATOM   2719 C CG   . ASP   B 1 56  ? -14.649 7.236   -12.738 1   46.47  ? 68  ASP   B CG   1 ? 2 
ATOM   2720 O OD1  . ASP   B 1 56  ? -14.941 8.225   -13.455 1   50.069 ? 68  ASP   B OD1  1 ? 2 
ATOM   2721 O OD2  . ASP   B 1 56  ? -15.508 6.391   -12.4   1   41.726 ? 68  ASP   B OD2  1 ? 2 
ATOM   2722 H H    A ASP   B 1 56  ? -11.504 7.528   -10.05  0.5 44.833 ? 68  ASP   B H    1 c 2 
ATOM   2723 H H    B ASP   B 1 56  ? -11.495 7.543   -10.034 0.5 44.854 ? 68  ASP   B H    1 c 2 
ATOM   2724 H HA   . ASP   B 1 56  ? -12.571 9.143   -12.089 1   46.92  ? 68  ASP   B HA   1 c 2 
ATOM   2725 H HB2  . ASP   B 1 56  ? -12.619 6.937   -12.806 1   42.689 ? 68  ASP   B HB2  1 c 2 
ATOM   2726 H HB3  . ASP   B 1 56  ? -13.257 6.456   -11.442 1   40.125 ? 68  ASP   B HB3  1 c 2 
ATOM   2727 N N    . SER   B 1 57  ? -14.457 10.002  -10.781 1   50.048 ? 69  SER   B N    1 ? 2 
ATOM   2728 C CA   . SER   B 1 57  ? -15.414 10.627  -9.871  1   52.751 ? 69  SER   B CA   1 ? 2 
ATOM   2729 C C    . SER   B 1 57  ? -16.628 11.116  -10.657 1   51.665 ? 69  SER   B C    1 ? 2 
ATOM   2730 O O    . SER   B 1 57  ? -16.495 11.697  -11.749 1   52.614 ? 69  SER   B O    1 ? 2 
ATOM   2731 C CB   . SER   B 1 57  ? -14.816 11.766  -9.088  1   60.058 ? 69  SER   B CB   1 ? 2 
ATOM   2732 O OG   . SER   B 1 57  ? -15.843 12.428  -8.359  1   59.531 ? 69  SER   B OG   1 ? 2 
ATOM   2733 H H    . SER   B 1 57  ? -14.342 10.357  -11.615 1   52.454 ? 69  SER   B H    1 c 2 
ATOM   2734 H HA   . SER   B 1 57  ? -15.72  9.939   -9.229  1   50.633 ? 69  SER   B HA   1 c 2 
ATOM   2735 H HB2  . SER   B 1 57  ? -14.143 11.422  -8.471  1   57.52  ? 69  SER   B HB2  1 c 2 
ATOM   2736 H HB3  . SER   B 1 57  ? -14.388 12.395  -9.7    1   60.428 ? 69  SER   B HB3  1 c 2 
ATOM   2737 H HG   . SER   B 1 57  ? -15.32  13.223  -8.063  0   30     ? 69  SER   B HG   1 c 2 
ATOM   2738 N N    . SER   B 1 58  ? -17.801 10.759  -10.125 1   48.621 ? 70  SER   B N    1 ? 2 
ATOM   2739 C CA   . SER   B 1 58  ? -19.071 11.268  -10.606 1   48.011 ? 70  SER   B CA   1 ? 2 
ATOM   2740 C C    . SER   B 1 58  ? -19.04  12.789  -10.703 1   53.098 ? 70  SER   B C    1 ? 2 
ATOM   2741 O O    . SER   B 1 58  ? -19.571 13.372  -11.663 1   54.803 ? 70  SER   B O    1 ? 2 
ATOM   2742 C CB   . SER   B 1 58  ? -20.207 10.795  -9.717  1   47.662 ? 70  SER   B CB   1 ? 2 
ATOM   2743 O OG   . SER   B 1 58  ? -19.971 11.06   -8.337  1   39.949 ? 70  SER   B OG   1 ? 2 
ATOM   2744 H H    . SER   B 1 58  ? -17.808 10.167  -9.429  1   46.88  ? 70  SER   B H    1 c 2 
ATOM   2745 H HA   . SER   B 1 58  ? -19.219 10.906  -11.517 1   49.316 ? 70  SER   B HA   1 c 2 
ATOM   2746 H HB2  . SER   B 1 58  ? -21.032 11.239  -9.991  1   46.967 ? 70  SER   B HB2  1 c 2 
ATOM   2747 H HB3  . SER   B 1 58  ? -20.329 9.835   -9.841  1   44.057 ? 70  SER   B HB3  1 c 2 
ATOM   2748 H HG   . SER   B 1 58  ? -20.632 10.796  -7.843  0   30     ? 70  SER   B HG   1 c 2 
ATOM   2749 N N    . HIS   B 1 59  ? -18.414 13.43   -9.707  1   54.135 ? 71  HIS   B N    1 ? 2 
ATOM   2750 C CA   . HIS   B 1 59  ? -18.267 14.893  -9.691  1   51.356 ? 71  HIS   B CA   1 ? 2 
ATOM   2751 C C    . HIS   B 1 59  ? -17.795 15.456  -11.029 1   53.808 ? 71  HIS   B C    1 ? 2 
ATOM   2752 O O    . HIS   B 1 59  ? -18.27  16.486  -11.471 1   59.135 ? 71  HIS   B O    1 ? 2 
ATOM   2753 C CB   . HIS   B 1 59  ? -17.412 15.374  -8.502  1   54.029 ? 71  HIS   B CB   1 ? 2 
ATOM   2754 C CG   . HIS   B 1 59  ? -18.069 15.046  -7.176  1   53.101 ? 71  HIS   B CG   1 ? 2 
ATOM   2755 N ND1  . HIS   B 1 59  ? -19.323 15.507  -6.852  1   55.841 ? 71  HIS   B ND1  1 ? 2 
ATOM   2756 C CD2  . HIS   B 1 59  ? -17.748 14.153  -6.209  1   55.196 ? 71  HIS   B CD2  1 ? 2 
ATOM   2757 C CE1  . HIS   B 1 59  ? -19.68  15.01   -5.674  1   51.86  ? 71  HIS   B CE1  1 ? 2 
ATOM   2758 N NE2  . HIS   B 1 59  ? -18.744 14.207  -5.266  1   55.926 ? 71  HIS   B NE2  1 ? 2 
ATOM   2759 H H    . HIS   B 1 59  ? -18.075 12.949  -9.009  1   50.839 ? 71  HIS   B H    1 c 2 
ATOM   2760 H HA   . HIS   B 1 59  ? -19.177 15.242  -9.536  1   53.731 ? 71  HIS   B HA   1 c 2 
ATOM   2761 H HB2  . HIS   B 1 59  ? -16.532 14.941  -8.544  1   52.784 ? 71  HIS   B HB2  1 c 2 
ATOM   2762 H HB3  . HIS   B 1 59  ? -17.288 16.346  -8.569  1   55.984 ? 71  HIS   B HB3  1 c 2 
ATOM   2763 H HD1  . HIS   B 1 59  ? -19.945 15.933  -7.372  0   30     ? 71  HIS   B HD1  1 c 2 
ATOM   2764 H HD2  . HIS   B 1 59  ? -16.952 13.663  -6.14   1   53.159 ? 71  HIS   B HD2  1 c 2 
ATOM   2765 H HE1  . HIS   B 1 59  ? -20.477 15.209  -5.214  1   54.169 ? 71  HIS   B HE1  1 c 2 
ATOM   2766 H HE2  . HIS   B 1 59  ? -18.677 13.809  -4.491  0   30     ? 71  HIS   B HE2  1 c 2 
ATOM   2767 N N    . ASP   B 1 60  ? -16.882 14.767  -11.694 1   56.633 ? 72  ASP   B N    1 ? 2 
ATOM   2768 C CA   . ASP   B 1 60  ? -16.363 15.233  -12.983 1   67.809 ? 72  ASP   B CA   1 ? 2 
ATOM   2769 C C    . ASP   B 1 60  ? -17.458 15.288  -14.064 1   71.481 ? 72  ASP   B C    1 ? 2 
ATOM   2770 O O    . ASP   B 1 60  ? -17.313 16.014  -15.05  1   67.738 ? 72  ASP   B O    1 ? 2 
ATOM   2771 C CB   . ASP   B 1 60  ? -15.198 14.376  -13.456 1   75.818 ? 72  ASP   B CB   1 ? 2 
ATOM   2772 C CG   . ASP   B 1 60  ? -13.957 14.434  -12.572 1   83.535 ? 72  ASP   B CG   1 ? 2 
ATOM   2773 O OD1  . ASP   B 1 60  ? -14.056 14.943  -11.42  1   94.442 ? 72  ASP   B OD1  1 ? 2 
ATOM   2774 O OD2  . ASP   B 1 60  ? -12.898 13.994  -13.05  1   86.624 ? 72  ASP   B OD2  1 ? 2 
ATOM   2775 H H    . ASP   B 1 60  ? -16.557 13.988  -11.342 1   55.405 ? 72  ASP   B H    1 c 2 
ATOM   2776 H HA   . ASP   B 1 60  ? -16.014 16.144  -12.856 1   69.9   ? 72  ASP   B HA   1 c 2 
ATOM   2777 H HB2  . ASP   B 1 60  ? -15.494 13.443  -13.509 1   73.02  ? 72  ASP   B HB2  1 c 2 
ATOM   2778 H HB3  . ASP   B 1 60  ? -14.943 14.663  -14.358 1   77.191 ? 72  ASP   B HB3  1 c 2 
ATOM   2779 N N    . ARG   B 1 61  ? -18.555 14.521  -13.888 1   72.985 ? 73  ARG   B N    1 ? 2 
ATOM   2780 C CA   . ARG   B 1 61  ? -19.692 14.594  -14.802 1   71.502 ? 73  ARG   B CA   1 ? 2 
ATOM   2781 C C    . ARG   B 1 61  ? -20.773 15.537  -14.251 1   72.871 ? 73  ARG   B C    1 ? 2 
ATOM   2782 O O    . ARG   B 1 61  ? -21.827 15.695  -14.867 1   70.585 ? 73  ARG   B O    1 ? 2 
ATOM   2783 C CB   . ARG   B 1 61  ? -20.152 13.162  -15.124 1   65.68  ? 73  ARG   B CB   1 ? 2 
ATOM   2784 H H    . ARG   B 1 61  ? -18.586 13.929  -13.193 1   68.738 ? 73  ARG   B H    1 c 2 
ATOM   2785 H HA   . ARG   B 1 61  ? -19.37  14.981  -15.655 1   73.497 ? 73  ARG   B HA   1 c 2 
ATOM   2786 H HB2  . ARG   B 1 61  ? -19.326 12.626  -15.219 0   30     ? 73  ARG   B HB2  1 c 2 
ATOM   2787 H HB3  . ARG   B 1 61  ? -21.101 13.167  -15.098 0   30     ? 73  ARG   B HB3  1 c 2 
ATOM   2788 N N    . ASN   B 1 62  ? -20.5   16.176  -13.092 1   70.875 ? 74  ASN   B N    1 ? 2 
ATOM   2789 C CA   . ASN   B 1 62  ? -21.377 17.161  -12.463 1   66.229 ? 74  ASN   B CA   1 ? 2 
ATOM   2790 C C    . ASN   B 1 62  ? -22.816 16.677  -12.263 1   64.63  ? 74  ASN   B C    1 ? 2 
ATOM   2791 O O    . ASN   B 1 62  ? -23.732 17.497  -12.243 1   68.85  ? 74  ASN   B O    1 ? 2 
ATOM   2792 C CB   . ASN   B 1 62  ? -21.437 18.481  -13.253 1   71.612 ? 74  ASN   B CB   1 ? 2 
ATOM   2793 C CG   . ASN   B 1 62  ? -20.076 19.107  -13.432 1   70.918 ? 74  ASN   B CG   1 ? 2 
ATOM   2794 O OD1  . ASN   B 1 62  ? -19.451 19.548  -12.443 1   72.561 ? 74  ASN   B OD1  1 ? 2 
ATOM   2795 N ND2  . ASN   B 1 62  ? -19.577 19.108  -14.66  1   75.283 ? 74  ASN   B ND2  1 ? 2 
ATOM   2796 H H    . ASN   B 1 62  ? -19.721 15.972  -12.662 1   68.467 ? 74  ASN   B H    1 c 2 
ATOM   2797 H HA   . ASN   B 1 62  ? -21.003 17.371  -11.577 1   66.752 ? 74  ASN   B HA   1 c 2 
ATOM   2798 H HB2  . ASN   B 1 62  ? -21.83  18.31   -14.132 1   72.032 ? 74  ASN   B HB2  1 c 2 
ATOM   2799 H HB3  . ASN   B 1 62  ? -22.016 19.113  -12.782 1   72.313 ? 74  ASN   B HB3  1 c 2 
ATOM   2800 H HD21 . ASN   B 1 62  ? -19.021 19.756  -14.907 1   76.593 ? 74  ASN   B HD21 1 c 2 
ATOM   2801 H HD22 . ASN   B 1 62  ? -19.795 18.466  -15.237 1   73.651 ? 74  ASN   B HD22 1 c 2 
ATOM   2802 N N    . GLU   B 1 63  ? -23.028 15.365  -12.05  1   68.317 ? 75  GLU   B N    1 ? 2 
ATOM   2803 C CA   . GLU   B 1 63  ? -24.368 14.83   -11.844 1   67.691 ? 75  GLU   B CA   1 ? 2 
ATOM   2804 C C    . GLU   B 1 63  ? -24.237 13.548  -11.022 1   60.276 ? 75  GLU   B C    1 ? 2 
ATOM   2805 O O    . GLU   B 1 63  ? -23.22  12.847  -11.108 1   51.77  ? 75  GLU   B O    1 ? 2 
ATOM   2806 C CB   . GLU   B 1 63  ? -25.07  14.535  -13.175 1   68.19  ? 75  GLU   B CB   1 ? 2 
ATOM   2807 H H    . GLU   B 1 63  ? -22.317 14.792  -12.025 1   64.767 ? 75  GLU   B H    1 c 2 
ATOM   2808 H HA   . GLU   B 1 63  ? -24.896 15.492  -11.332 1   68.027 ? 75  GLU   B HA   1 c 2 
ATOM   2809 H HB2  . GLU   B 1 63  ? -24.369 14.374  -13.857 0   30     ? 75  GLU   B HB2  1 c 2 
ATOM   2810 H HB3  . GLU   B 1 63  ? -26.024 14.553  -13.034 0   30     ? 75  GLU   B HB3  1 c 2 
ATOM   2811 N N    . PRO   B 1 64  ? -25.222 13.182  -10.17  1   59.076 ? 76  PRO   B N    1 ? 2 
ATOM   2812 C CA   . PRO   B 1 64  ? -25.17  11.893  -9.484  1   52.599 ? 76  PRO   B CA   1 ? 2 
ATOM   2813 C C    . PRO   B 1 64  ? -25.14  10.731  -10.464 1   50.891 ? 76  PRO   B C    1 ? 2 
ATOM   2814 O O    . PRO   B 1 64  ? -25.575 10.858  -11.612 1   51.702 ? 76  PRO   B O    1 ? 2 
ATOM   2815 C CB   . PRO   B 1 64  ? -26.435 11.834  -8.645  1   57.074 ? 76  PRO   B CB   1 ? 2 
ATOM   2816 C CG   . PRO   B 1 64  ? -26.871 13.287  -8.557  1   58.666 ? 76  PRO   B CG   1 ? 2 
ATOM   2817 C CD   . PRO   B 1 64  ? -26.434 13.941  -9.851  1   61.951 ? 76  PRO   B CD   1 ? 2 
ATOM   2818 H HA   . PRO   B 1 64  ? -24.381 11.86   -8.904  1   52.501 ? 76  PRO   B HA   1 c 2 
ATOM   2819 H HB2  . PRO   B 1 64  ? -27.12  11.289  -9.079  1   55.873 ? 76  PRO   B HB2  1 c 2 
ATOM   2820 H HB3  . PRO   B 1 64  ? -26.249 11.469  -7.76   1   54.127 ? 76  PRO   B HB3  1 c 2 
ATOM   2821 H HG2  . PRO   B 1 64  ? -27.842 13.35   -8.455  1   60.47  ? 76  PRO   B HG2  1 c 2 
ATOM   2822 H HG3  . PRO   B 1 64  ? -26.448 13.728  -7.793  1   59.138 ? 76  PRO   B HG3  1 c 2 
ATOM   2823 H HD2  . PRO   B 1 64  ? -27.107 13.839  -10.552 1   62.77  ? 76  PRO   B HD2  1 c 2 
ATOM   2824 H HD3  . PRO   B 1 64  ? -26.234 14.888  -9.723  1   63.256 ? 76  PRO   B HD3  1 c 2 
ATOM   2825 N N    . PHE   B 1 65  ? -24.529 9.646   -10.031 1   46.278 ? 77  PHE   B N    1 ? 2 
ATOM   2826 C CA   . PHE   B 1 65  ? -24.405 8.428   -10.81  1   43.212 ? 77  PHE   B CA   1 ? 2 
ATOM   2827 C C    . PHE   B 1 65  ? -25.571 7.541   -10.407 1   45.618 ? 77  PHE   B C    1 ? 2 
ATOM   2828 O O    . PHE   B 1 65  ? -25.864 7.383   -9.22   1   39.579 ? 77  PHE   B O    1 ? 2 
ATOM   2829 C CB   . PHE   B 1 65  ? -23.061 7.74    -10.618 1   43.159 ? 77  PHE   B CB   1 ? 2 
ATOM   2830 C CG   . PHE   B 1 65  ? -22.966 6.397   -11.317 1   40.617 ? 77  PHE   B CG   1 ? 2 
ATOM   2831 C CD1  . PHE   B 1 65  ? -22.704 6.306   -12.679 1   47.468 ? 77  PHE   B CD1  1 ? 2 
ATOM   2832 C CD2  . PHE   B 1 65  ? -23.158 5.227   -10.605 1   43.278 ? 77  PHE   B CD2  1 ? 2 
ATOM   2833 C CE1  . PHE   B 1 65  ? -22.658 5.075   -13.333 1   43.99  ? 77  PHE   B CE1  1 ? 2 
ATOM   2834 C CE2  . PHE   B 1 65  ? -23.097 4.007   -11.26  1   44.258 ? 77  PHE   B CE2  1 ? 2 
ATOM   2835 C CZ   . PHE   B 1 65  ? -22.839 3.925   -12.606 1   42.153 ? 77  PHE   B CZ   1 ? 2 
ATOM   2836 H H    . PHE   B 1 65  ? -24.163 9.658   -9.193  1   45.275 ? 77  PHE   B H    1 c 2 
ATOM   2837 H HA   . PHE   B 1 65  ? -24.5   8.659   -11.772 1   45.968 ? 77  PHE   B HA   1 c 2 
ATOM   2838 H HB2  . PHE   B 1 65  ? -22.354 8.33    -10.961 1   43.072 ? 77  PHE   B HB2  1 c 2 
ATOM   2839 H HB3  . PHE   B 1 65  ? -22.909 7.611   -9.655  1   41.184 ? 77  PHE   B HB3  1 c 2 
ATOM   2840 H HD1  . PHE   B 1 65  ? -22.585 7.099   -13.177 1   47.023 ? 77  PHE   B HD1  1 c 2 
ATOM   2841 H HD2  . PHE   B 1 65  ? -23.341 5.261   -9.68   1   41.801 ? 77  PHE   B HD2  1 c 2 
ATOM   2842 H HE1  . PHE   B 1 65  ? -22.47  5.033   -14.257 1   45.653 ? 77  PHE   B HE1  1 c 2 
ATOM   2843 H HE2  . PHE   B 1 65  ? -23.225 3.213   -10.766 1   41.817 ? 77  PHE   B HE2  1 c 2 
ATOM   2844 H HZ   . PHE   B 1 65  ? -22.795 3.083   -13.03  1   42.468 ? 77  PHE   B HZ   1 c 2 
ATOM   2845 N N    . VAL   B 1 66  ? -26.312 7.075   -11.444 1   45.535 ? 78  VAL   B N    1 ? 2 
ATOM   2846 C CA   . VAL   B 1 66  ? -27.622 6.495   -11.219 1   48.307 ? 78  VAL   B CA   1 ? 2 
ATOM   2847 C C    . VAL   B 1 66  ? -27.574 5.092   -11.769 1   45.476 ? 78  VAL   B C    1 ? 2 
ATOM   2848 O O    . VAL   B 1 66  ? -27.063 4.916   -12.877 1   48.723 ? 78  VAL   B O    1 ? 2 
ATOM   2849 C CB   . VAL   B 1 66  ? -28.736 7.319   -11.88  1   52.461 ? 78  VAL   B CB   1 ? 2 
ATOM   2850 C CG1  . VAL   B 1 66  ? -30.083 6.632   -11.768 1   55.472 ? 78  VAL   B CG1  1 ? 2 
ATOM   2851 C CG2  . VAL   B 1 66  ? -28.787 8.718   -11.264 1   53.472 ? 78  VAL   B CG2  1 ? 2 
ATOM   2852 H H    . VAL   B 1 66  ? -25.986 7.119   -12.297 1   46.932 ? 78  VAL   B H    1 c 2 
ATOM   2853 H HA   . VAL   B 1 66  ? -27.789 6.455   -10.26  1   46.907 ? 78  VAL   B HA   1 c 2 
ATOM   2854 H HB   . VAL   B 1 66  ? -28.512 7.407   -12.835 1   53.582 ? 78  VAL   B HB   1 c 2 
ATOM   2855 H HG11 . VAL   B 1 66  ? -30.178 6.244   -10.882 1   53.605 ? 78  VAL   B HG11 1 c 2 
ATOM   2856 H HG12 . VAL   B 1 66  ? -30.147 5.929   -12.437 1   54.848 ? 78  VAL   B HG12 1 c 2 
ATOM   2857 H HG13 . VAL   B 1 66  ? -30.793 7.28    -11.915 1   56.956 ? 78  VAL   B HG13 1 c 2 
ATOM   2858 H HG21 . VAL   B 1 66  ? -29.563 9.195   -11.603 1   55.768 ? 78  VAL   B HG21 1 c 2 
ATOM   2859 H HG22 . VAL   B 1 66  ? -27.98  9.207   -11.499 1   53.461 ? 78  VAL   B HG22 1 c 2 
ATOM   2860 H HG23 . VAL   B 1 66  ? -28.849 8.645   -10.297 1   52.575 ? 78  VAL   B HG23 1 c 2 
ATOM   2861 N N    . PHE   B 1 67  ? -28.054 4.116   -11.002 1   48.519 ? 79  PHE   B N    1 ? 2 
ATOM   2862 C CA   . PHE   B 1 67  ? -28.015 2.733   -11.496 1   39.384 ? 79  PHE   B CA   1 ? 2 
ATOM   2863 C C    . PHE   B 1 67  ? -29.112 1.94    -10.804 1   44.403 ? 79  PHE   B C    1 ? 2 
ATOM   2864 O O    . PHE   B 1 67  ? -29.633 2.355   -9.793  1   42.432 ? 79  PHE   B O    1 ? 2 
ATOM   2865 C CB   . PHE   B 1 67  ? -26.687 2.034   -11.291 1   37.985 ? 79  PHE   B CB   1 ? 2 
ATOM   2866 C CG   . PHE   B 1 67  ? -26.411 1.645   -9.846  1   35.287 ? 79  PHE   B CG   1 ? 2 
ATOM   2867 C CD1  . PHE   B 1 67  ? -25.947 2.6     -8.954  1   39.508 ? 79  PHE   B CD1  1 ? 2 
ATOM   2868 C CD2  . PHE   B 1 67  ? -26.512 0.337   -9.394  1   33.721 ? 79  PHE   B CD2  1 ? 2 
ATOM   2869 C CE1  . PHE   B 1 67  ? -25.621 2.261   -7.665  1   32.35  ? 79  PHE   B CE1  1 ? 2 
ATOM   2870 C CE2  . PHE   B 1 67  ? -26.167 0.003   -8.091  1   35.297 ? 79  PHE   B CE2  1 ? 2 
ATOM   2871 C CZ   . PHE   B 1 67  ? -25.788 0.989   -7.215  1   33.818 ? 79  PHE   B CZ   1 ? 2 
ATOM   2872 H H    . PHE   B 1 67  ? -28.405 4.295   -10.177 1   45.316 ? 79  PHE   B H    1 c 2 
ATOM   2873 H HA   . PHE   B 1 67  ? -28.211 2.745   -12.471 1   43.227 ? 79  PHE   B HA   1 c 2 
ATOM   2874 H HB2  . PHE   B 1 67  ? -26.671 1.223   -11.848 1   37.515 ? 79  PHE   B HB2  1 c 2 
ATOM   2875 H HB3  . PHE   B 1 67  ? -25.969 2.628   -11.603 1   37.514 ? 79  PHE   B HB3  1 c 2 
ATOM   2876 H HD1  . PHE   B 1 67  ? -25.851 3.494   -9.241  1   37.785 ? 79  PHE   B HD1  1 c 2 
ATOM   2877 H HD2  . PHE   B 1 67  ? -26.797 -0.338  -9.988  1   35.042 ? 79  PHE   B HD2  1 c 2 
ATOM   2878 H HE1  . PHE   B 1 67  ? -25.345 2.935   -7.064  1   34.041 ? 79  PHE   B HE1  1 c 2 
ATOM   2879 H HE2  . PHE   B 1 67  ? -26.282 -0.883  -7.786  1   33.868 ? 79  PHE   B HE2  1 c 2 
ATOM   2880 H HZ   . PHE   B 1 67  ? -25.555 0.768   -6.327  1   32.629 ? 79  PHE   B HZ   1 c 2 
ATOM   2881 N N    . SER   B 1 68  ? -29.501 0.81    -11.421 1   45.246 ? 80  SER   B N    1 ? 2 
ATOM   2882 C CA   . SER   B 1 68  ? -30.506 -0.051  -10.831 1   44.257 ? 80  SER   B CA   1 ? 2 
ATOM   2883 C C    . SER   B 1 68  ? -29.74  -1.152  -10.115 1   40.742 ? 80  SER   B C    1 ? 2 
ATOM   2884 O O    . SER   B 1 68  ? -28.919 -1.811  -10.741 1   40.502 ? 80  SER   B O    1 ? 2 
ATOM   2885 C CB   . SER   B 1 68  ? -31.503 -0.637  -11.856 1   46.714 ? 80  SER   B CB   1 ? 2 
ATOM   2886 O OG   . SER   B 1 68  ? -32.144 0.397   -12.585 1   51.245 ? 80  SER   B OG   1 ? 2 
ATOM   2887 H H    . SER   B 1 68  ? -29.129 0.576   -12.223 1   44.897 ? 80  SER   B H    1 c 2 
ATOM   2888 H HA   . SER   B 1 68  ? -31.014 0.469   -10.161 1   44.903 ? 80  SER   B HA   1 c 2 
ATOM   2889 H HB2  . SER   B 1 68  ? -31.025 -1.223  -12.473 1   46.755 ? 80  SER   B HB2  1 c 2 
ATOM   2890 H HB3  . SER   B 1 68  ? -32.174 -1.169  -11.387 1   47.803 ? 80  SER   B HB3  1 c 2 
ATOM   2891 H HG   . SER   B 1 68  ? -32.745 0.088   -13.055 0   30     ? 80  SER   B HG   1 c 2 
ATOM   2892 N N    . LEU   B 1 69  ? -30.033 -1.373  -8.834  1   40.746 ? 81  LEU   B N    1 ? 2 
ATOM   2893 C CA   . LEU   B 1 69  ? -29.277 -2.339  -8.059  1   35.314 ? 81  LEU   B CA   1 ? 2 
ATOM   2894 C C    . LEU   B 1 69  ? -29.583 -3.782  -8.495  1   41.695 ? 81  LEU   B C    1 ? 2 
ATOM   2895 O O    . LEU   B 1 69  ? -30.741 -4.146  -8.675  1   41.631 ? 81  LEU   B O    1 ? 2 
ATOM   2896 C CB   . LEU   B 1 69  ? -29.665 -2.11   -6.605  1   39.249 ? 81  LEU   B CB   1 ? 2 
ATOM   2897 C CG   . LEU   B 1 69  ? -28.883 -2.881  -5.534  1   43.691 ? 81  LEU   B CG   1 ? 2 
ATOM   2898 C CD1  . LEU   B 1 69  ? -27.607 -2.236  -5.141  1   44.722 ? 81  LEU   B CD1  1 ? 2 
ATOM   2899 C CD2  . LEU   B 1 69  ? -29.666 -2.946  -4.242  1   51.068 ? 81  LEU   B CD2  1 ? 2 
ATOM   2900 H H    . LEU   B 1 69  ? -30.72  -0.919  -8.437  1   40.93  ? 81  LEU   B H    1 c 2 
ATOM   2901 H HA   . LEU   B 1 69  ? -28.31  -2.156  -8.176  1   36.307 ? 81  LEU   B HA   1 c 2 
ATOM   2902 H HB2  . LEU   B 1 69  ? -29.576 -1.147  -6.415  1   39.585 ? 81  LEU   B HB2  1 c 2 
ATOM   2903 H HB3  . LEU   B 1 69  ? -30.62  -2.332  -6.509  1   41.103 ? 81  LEU   B HB3  1 c 2 
ATOM   2904 H HG   . LEU   B 1 69  ? -28.704 -3.802  -5.856  1   43.734 ? 81  LEU   B HG   1 c 2 
ATOM   2905 H HD11 . LEU   B 1 69  ? -27.076 -2.058  -5.935  1   43.303 ? 81  LEU   B HD11 1 c 2 
ATOM   2906 H HD12 . LEU   B 1 69  ? -27.112 -2.827  -4.549  1   42.839 ? 81  LEU   B HD12 1 c 2 
ATOM   2907 H HD13 . LEU   B 1 69  ? -27.792 -1.399  -4.682  1   44.184 ? 81  LEU   B HD13 1 c 2 
ATOM   2908 H HD21 . LEU   B 1 69  ? -30.311 -3.669  -4.293  1   50.079 ? 81  LEU   B HD21 1 c 2 
ATOM   2909 H HD22 . LEU   B 1 69  ? -30.135 -2.105  -4.104  1   49.844 ? 81  LEU   B HD22 1 c 2 
ATOM   2910 H HD23 . LEU   B 1 69  ? -29.062 -3.106  -3.498  1   47.878 ? 81  LEU   B HD23 1 c 2 
ATOM   2911 N N    . GLY   B 1 70  ? -28.542 -4.598  -8.722  1   42.073 ? 82  GLY   B N    1 ? 2 
ATOM   2912 C CA   . GLY   B 1 70  ? -28.682 -6.01   -9.073  1   46.676 ? 82  GLY   B CA   1 ? 2 
ATOM   2913 C C    . GLY   B 1 70  ? -29.021 -6.249  -10.543 1   52.013 ? 82  GLY   B C    1 ? 2 
ATOM   2914 O O    . GLY   B 1 70  ? -29.303 -7.379  -10.905 1   59.453 ? 82  GLY   B O    1 ? 2 
ATOM   2915 H H    . GLY   B 1 70  ? -27.7   -4.25   -8.663  1   41.03  ? 82  GLY   B H    1 c 2 
ATOM   2916 H HA2  . GLY   B 1 70  ? -27.839 -6.473  -8.859  1   44.992 ? 82  GLY   B HA2  1 c 2 
ATOM   2917 H HA3  . GLY   B 1 70  ? -29.388 -6.406  -8.511  1   47.197 ? 82  GLY   B HA3  1 c 2 
ATOM   2918 N N    . LYS   B 1 71  ? -29.011 -5.226  -11.397 1   48.725 ? 83  LYS   B N    1 ? 2 
ATOM   2919 C CA   . LYS   B 1 71  ? -29.42  -5.375  -12.791 1   52.83  ? 83  LYS   B CA   1 ? 2 
ATOM   2920 C C    . LYS   B 1 71  ? -28.181 -5.596  -13.68  1   51.539 ? 83  LYS   B C    1 ? 2 
ATOM   2921 O O    . LYS   B 1 71  ? -28.242 -5.503  -14.919 1   60.079 ? 83  LYS   B O    1 ? 2 
ATOM   2922 C CB   . LYS   B 1 71  ? -30.347 -4.203  -13.199 1   58.251 ? 83  LYS   B CB   1 ? 2 
ATOM   2923 H H    . LYS   B 1 71  ? -28.727 -4.406  -11.111 1   49.285 ? 83  LYS   B H    1 c 2 
ATOM   2924 H HA   . LYS   B 1 71  ? -29.974 -6.194  -12.854 1   54.112 ? 83  LYS   B HA   1 c 2 
ATOM   2925 H HB2  . LYS   B 1 71  ? -29.711 -3.473  -13.409 0   30     ? 83  LYS   B HB2  1 c 2 
ATOM   2926 H HB3  . LYS   B 1 71  ? -31.208 -4.512  -13.043 0   30     ? 83  LYS   B HB3  1 c 2 
ATOM   2927 N N    . GLY   B 1 72  ? -27.04  -5.878  -13.031 1   55.749 ? 84  GLY   B N    1 ? 2 
ATOM   2928 C CA   . GLY   B 1 72  ? -25.772 -6.025  -13.724 1   57.531 ? 84  GLY   B CA   1 ? 2 
ATOM   2929 C C    . GLY   B 1 72  ? -25.282 -4.759  -14.427 1   50.971 ? 84  GLY   B C    1 ? 2 
ATOM   2930 O O    . GLY   B 1 72  ? -24.528 -4.883  -15.378 1   51.904 ? 84  GLY   B O    1 ? 2 
ATOM   2931 H H    . GLY   B 1 72  ? -27.052 -5.985  -12.125 1   53.572 ? 84  GLY   B H    1 c 2 
ATOM   2932 H HA2  . GLY   B 1 72  ? -25.09  -6.317  -13.075 1   53.799 ? 84  GLY   B HA2  1 c 2 
ATOM   2933 H HA3  . GLY   B 1 72  ? -25.866 -6.744  -14.393 1   56.287 ? 84  GLY   B HA3  1 c 2 
ATOM   2934 N N    . GLN   B 1 73  ? -25.621 -3.547  -13.939 1   45.998 ? 85  GLN   B N    1 ? 2 
ATOM   2935 C CA   . GLN   B 1 73  ? -25.139 -2.297  -14.543 1   46.381 ? 85  GLN   B CA   1 ? 2 
ATOM   2936 C C    . GLN   B 1 73  ? -23.799 -1.885  -13.916 1   43.647 ? 85  GLN   B C    1 ? 2 
ATOM   2937 O O    . GLN   B 1 73  ? -23.005 -1.153  -14.492 1   42.243 ? 85  GLN   B O    1 ? 2 
ATOM   2938 C CB   . GLN   B 1 73  ? -26.185 -1.185  -14.406 1   49.44  ? 85  GLN   B CB   1 ? 2 
ATOM   2939 C CG   . GLN   B 1 73  ? -27.488 -1.575  -15.1   1   59.27  ? 85  GLN   B CG   1 ? 2 
ATOM   2940 C CD   . GLN   B 1 73  ? -28.693 -0.721  -14.736 1   60.535 ? 85  GLN   B CD   1 ? 2 
ATOM   2941 O OE1  . GLN   B 1 73  ? -28.624 0.205   -13.922 1   50.092 ? 85  GLN   B OE1  1 ? 2 
ATOM   2942 N NE2  . GLN   B 1 73  ? -29.821 -1.046  -15.354 1   65.181 ? 85  GLN   B NE2  1 ? 2 
ATOM   2943 H H    . GLN   B 1 73  ? -26.171 -3.498  -13.211 1   46.887 ? 85  GLN   B H    1 c 2 
ATOM   2944 H HA   . GLN   B 1 73  ? -24.992 -2.458  -15.51  1   47.712 ? 85  GLN   B HA   1 c 2 
ATOM   2945 H HB2  . GLN   B 1 73  ? -26.357 -1.018  -13.456 1   49.689 ? 85  GLN   B HB2  1 c 2 
ATOM   2946 H HB3  . GLN   B 1 73  ? -25.837 -0.36   -14.805 1   51.137 ? 85  GLN   B HB3  1 c 2 
ATOM   2947 H HG2  . GLN   B 1 73  ? -27.358 -1.522  -16.071 1   58.584 ? 85  GLN   B HG2  1 c 2 
ATOM   2948 H HG3  . GLN   B 1 73  ? -27.699 -2.507  -14.883 1   56.965 ? 85  GLN   B HG3  1 c 2 
ATOM   2949 H HE21 . GLN   B 1 73  ? -30.553 -0.563  -15.22  1   65.667 ? 85  GLN   B HE21 1 c 2 
ATOM   2950 H HE22 . GLN   B 1 73  ? -29.844 -1.745  -15.9   1   65.01  ? 85  GLN   B HE22 1 c 2 
ATOM   2951 N N    . VAL   B 1 74  ? -23.516 -2.432  -12.743 1   35.962 ? 86  VAL   B N    1 ? 2 
ATOM   2952 C CA   . VAL   B 1 74  ? -22.3   -2.111  -12.021 1   35.718 ? 86  VAL   B CA   1 ? 2 
ATOM   2953 C C    . VAL   B 1 74  ? -21.66  -3.422  -11.615 1   31.06  ? 86  VAL   B C    1 ? 2 
ATOM   2954 O O    . VAL   B 1 74  ? -22.284 -4.434  -11.708 1   32.286 ? 86  VAL   B O    1 ? 2 
ATOM   2955 C CB   . VAL   B 1 74  ? -22.618 -1.25   -10.802 1   34.909 ? 86  VAL   B CB   1 ? 2 
ATOM   2956 C CG1  . VAL   B 1 74  ? -23.06  0.144   -11.232 1   37.836 ? 86  VAL   B CG1  1 ? 2 
ATOM   2957 C CG2  . VAL   B 1 74  ? -23.633 -1.958  -9.886  1   35.471 ? 86  VAL   B CG2  1 ? 2 
ATOM   2958 H H    . VAL   B 1 74  ? -24.097 -3.033  -12.375 1   37.683 ? 86  VAL   B H    1 c 2 
ATOM   2959 H HA   . VAL   B 1 74  ? -21.692 -1.625  -12.609 1   35.184 ? 86  VAL   B HA   1 c 2 
ATOM   2960 H HB   . VAL   B 1 74  ? -21.781 -1.15   -10.292 1   34.236 ? 86  VAL   B HB   1 c 2 
ATOM   2961 H HG11 . VAL   B 1 74  ? -23.889 0.083   -11.734 1   38.608 ? 86  VAL   B HG11 1 c 2 
ATOM   2962 H HG12 . VAL   B 1 74  ? -22.373 0.545   -11.791 1   37.693 ? 86  VAL   B HG12 1 c 2 
ATOM   2963 H HG13 . VAL   B 1 74  ? -23.199 0.698   -10.445 1   37.15  ? 86  VAL   B HG13 1 c 2 
ATOM   2964 H HG21 . VAL   B 1 74  ? -23.748 -1.442  -9.071  1   34.923 ? 86  VAL   B HG21 1 c 2 
ATOM   2965 H HG22 . VAL   B 1 74  ? -23.309 -2.846  -9.661  1   34.465 ? 86  VAL   B HG22 1 c 2 
ATOM   2966 H HG23 . VAL   B 1 74  ? -24.488 -2.033  -10.342 1   36.417 ? 86  VAL   B HG23 1 c 2 
ATOM   2967 N N    . ILE   B 1 75  ? -20.466 -3.37   -11.086 1   27.343 ? 87  ILE   B N    1 ? 2 
ATOM   2968 C CA   . ILE   B 1 75  ? -19.737 -4.552  -10.682 1   27.469 ? 87  ILE   B CA   1 ? 2 
ATOM   2969 C C    . ILE   B 1 75  ? -20.437 -5.149  -9.464  1   28.316 ? 87  ILE   B C    1 ? 2 
ATOM   2970 O O    . ILE   B 1 75  ? -21.133 -4.414  -8.724  1   28.834 ? 87  ILE   B O    1 ? 2 
ATOM   2971 C CB   . ILE   B 1 75  ? -18.27  -4.22   -10.373 1   29.397 ? 87  ILE   B CB   1 ? 2 
ATOM   2972 C CG1  . ILE   B 1 75  ? -18.196 -3.09   -9.343  1   29.515 ? 87  ILE   B CG1  1 ? 2 
ATOM   2973 C CG2  . ILE   B 1 75  ? -17.414 -3.931  -11.642 1   28.133 ? 87  ILE   B CG2  1 ? 2 
ATOM   2974 C CD1  . ILE   B 1 75  ? -16.802 -2.774  -8.846  1   27.729 ? 87  ILE   B CD1  1 ? 2 
ATOM   2975 H H    . ILE   B 1 75  ? -20.07  -2.553  -10.986 1   28.269 ? 87  ILE   B H    1 c 2 
ATOM   2976 H HA   . ILE   B 1 75  ? -19.763 -5.2    -11.413 1   28.581 ? 87  ILE   B HA   1 c 2 
ATOM   2977 H HB   . ILE   B 1 75  ? -17.887 -5.012  -9.947  1   27.952 ? 87  ILE   B HB   1 c 2 
ATOM   2978 H HG12 . ILE   B 1 75  ? -18.571 -2.278  -9.74   1   29.718 ? 87  ILE   B HG12 1 c 2 
ATOM   2979 H HG13 . ILE   B 1 75  ? -18.752 -3.329  -8.574  1   28.613 ? 87  ILE   B HG13 1 c 2 
ATOM   2980 H HG21 . ILE   B 1 75  ? -16.47  -3.945  -11.41  1   28.396 ? 87  ILE   B HG21 1 c 2 
ATOM   2981 H HG22 . ILE   B 1 75  ? -17.644 -3.056  -11.999 1   29.452 ? 87  ILE   B HG22 1 c 2 
ATOM   2982 H HG23 . ILE   B 1 75  ? -17.59  -4.609  -12.315 1   29.339 ? 87  ILE   B HG23 1 c 2 
ATOM   2983 H HD11 . ILE   B 1 75  ? -16.357 -3.6    -8.574  1   27.598 ? 87  ILE   B HD11 1 c 2 
ATOM   2984 H HD12 . ILE   B 1 75  ? -16.857 -2.169  -8.082  1   27.834 ? 87  ILE   B HD12 1 c 2 
ATOM   2985 H HD13 . ILE   B 1 75  ? -16.287 -2.35   -9.558  1   28.72  ? 87  ILE   B HD13 1 c 2 
ATOM   2986 N N    . LYS   B 1 76  ? -20.22  -6.453  -9.301  1   25.085 ? 88  LYS   B N    1 ? 2 
ATOM   2987 C CA   . LYS   B 1 76  ? -20.857 -7.207  -8.232  1   27.086 ? 88  LYS   B CA   1 ? 2 
ATOM   2988 C C    . LYS   B 1 76  ? -20.631 -6.523  -6.896  1   26.181 ? 88  LYS   B C    1 ? 2 
ATOM   2989 O O    . LYS   B 1 76  ? -21.545 -6.524  -6.039  1   26.989 ? 88  LYS   B O    1 ? 2 
ATOM   2990 C CB   . LYS   B 1 76  ? -20.253 -8.637  -8.187  1   29.393 ? 88  LYS   B CB   1 ? 2 
ATOM   2991 H H    . LYS   B 1 76  ? -19.654 -6.888  -9.873  1   26.428 ? 88  LYS   B H    1 c 2 
ATOM   2992 H HA   . LYS   B 1 76  ? -21.83  -7.257  -8.414  1   27.86  ? 88  LYS   B HA   1 c 2 
ATOM   2993 H HB2  . LYS   B 1 76  ? -19.358 -8.639  -8.222  0   30     ? 88  LYS   B HB2  1 c 2 
ATOM   2994 H HB3  . LYS   B 1 76  ? -21.105 -9.275  -8.22   0   30     ? 88  LYS   B HB3  1 c 2 
ATOM   2995 N N    . ALA   B 1 77  ? -19.416 -6.01   -6.664  1   26.448 ? 89  ALA   B N    1 ? 2 
ATOM   2996 C CA   . ALA   B 1 77  ? -19.064 -5.388  -5.369  1   25.84  ? 89  ALA   B CA   1 ? 2 
ATOM   2997 C C    . ALA   B 1 77  ? -19.979 -4.214  -5.016  1   25.906 ? 89  ALA   B C    1 ? 2 
ATOM   2998 O O    . ALA   B 1 77  ? -20.306 -3.975  -3.848  1   25.461 ? 89  ALA   B O    1 ? 2 
ATOM   2999 C CB   . ALA   B 1 77  ? -17.669 -4.958  -5.294  1   26.035 ? 89  ALA   B CB   1 ? 2 
ATOM   3000 H H    . ALA   B 1 77  ? -18.778 -6.051  -7.318  1   26.186 ? 89  ALA   B H    1 c 2 
ATOM   3001 H HA   . ALA   B 1 77  ? -19.203 -6.084  -4.669  1   25.815 ? 89  ALA   B HA   1 c 2 
ATOM   3002 H HB1  . ALA   B 1 77  ? -17.087 -5.736  -5.298  1   25.641 ? 89  ALA   B HB1  1 c 2 
ATOM   3003 H HB2  . ALA   B 1 77  ? -17.46  -4.396  -6.058  1   26.087 ? 89  ALA   B HB2  1 c 2 
ATOM   3004 H HB3  . ALA   B 1 77  ? -17.525 -4.454  -4.475  1   25.633 ? 89  ALA   B HB3  1 c 2 
ATOM   3005 N N    . TRP   B 1 78  ? -20.511 -3.518  -6.006  1   26.335 ? 90  TRP   B N    1 ? 2 
ATOM   3006 C CA   . TRP   B 1 78  ? -21.391 -2.395  -5.741  1   26.088 ? 90  TRP   B CA   1 ? 2 
ATOM   3007 C C    . TRP   B 1 78  ? -22.771 -2.921  -5.407  1   27.839 ? 90  TRP   B C    1 ? 2 
ATOM   3008 O O    . TRP   B 1 78  ? -23.426 -2.332  -4.54   1   29.543 ? 90  TRP   B O    1 ? 2 
ATOM   3009 C CB   . TRP   B 1 78  ? -21.416 -1.412  -6.922  1   27.525 ? 90  TRP   B CB   1 ? 2 
ATOM   3010 C CG   . TRP   B 1 78  ? -20.392 -0.307  -6.855  1   26.299 ? 90  TRP   B CG   1 ? 2 
ATOM   3011 C CD1  . TRP   B 1 78  ? -19.048 -0.327  -6.606  1   27.862 ? 90  TRP   B CD1  1 ? 2 
ATOM   3012 C CD2  . TRP   B 1 78  ? -20.748 1.081   -7.082  1   28.072 ? 90  TRP   B CD2  1 ? 2 
ATOM   3013 N NE1  . TRP   B 1 78  ? -18.528 0.936   -6.665  1   28.773 ? 90  TRP   B NE1  1 ? 2 
ATOM   3014 C CE2  . TRP   B 1 78  ? -19.55  1.825   -6.967  1   29.018 ? 90  TRP   B CE2  1 ? 2 
ATOM   3015 C CE3  . TRP   B 1 78  ? -21.958 1.749   -7.36   1   30.169 ? 90  TRP   B CE3  1 ? 2 
ATOM   3016 C CZ2  . TRP   B 1 78  ? -19.531 3.206   -7.063  1   28.632 ? 90  TRP   B CZ2  1 ? 2 
ATOM   3017 C CZ3  . TRP   B 1 78  ? -21.905 3.124   -7.535  1   33.146 ? 90  TRP   B CZ3  1 ? 2 
ATOM   3018 C CH2  . TRP   B 1 78  ? -20.695 3.845   -7.366  1   29.943 ? 90  TRP   B CH2  1 ? 2 
ATOM   3019 H H    . TRP   B 1 78  ? -20.32  -3.737  -6.872  1   26.401 ? 90  TRP   B H    1 c 2 
ATOM   3020 H HA   . TRP   B 1 78  ? -21.042 -1.908  -4.946  1   26.254 ? 90  TRP   B HA   1 c 2 
ATOM   3021 H HB2  . TRP   B 1 78  ? -21.279 -1.918  -7.751  1   27.299 ? 90  TRP   B HB2  1 c 2 
ATOM   3022 H HB3  . TRP   B 1 78  ? -22.309 -1.01   -6.972  1   27.979 ? 90  TRP   B HB3  1 c 2 
ATOM   3023 H HD1  . TRP   B 1 78  ? -18.538 -1.105  -6.442  1   26.7   ? 90  TRP   B HD1  1 c 2 
ATOM   3024 H HE1  . TRP   B 1 78  ? -17.696 1.144   -6.534  1   28.306 ? 90  TRP   B HE1  1 c 2 
ATOM   3025 H HE3  . TRP   B 1 78  ? -22.762 1.272   -7.471  1   30.67  ? 90  TRP   B HE3  1 c 2 
ATOM   3026 H HZ2  . TRP   B 1 78  ? -18.721 3.682   -6.99   1   29.209 ? 90  TRP   B HZ2  1 c 2 
ATOM   3027 H HZ3  . TRP   B 1 78  ? -22.701 3.596   -7.713  1   33.04  ? 90  TRP   B HZ3  1 c 2 
ATOM   3028 H HH2  . TRP   B 1 78  ? -20.694 4.78    -7.471  1   31.679 ? 90  TRP   B HH2  1 c 2 
ATOM   3029 N N    . ASP   B 1 79  ? -23.255 -3.963  -6.107  1   26.661 ? 91  ASP   B N    1 ? 2 
ATOM   3030 C CA   . ASP   B 1 79  ? -24.564 -4.513  -5.798  1   31.683 ? 91  ASP   B CA   1 ? 2 
ATOM   3031 C C    . ASP   B 1 79  ? -24.573 -5.013  -4.36   1   30.924 ? 91  ASP   B C    1 ? 2 
ATOM   3032 O O    . ASP   B 1 79  ? -25.523 -4.804  -3.645  1   32.875 ? 91  ASP   B O    1 ? 2 
ATOM   3033 C CB   . ASP   B 1 79  ? -25.016 -5.619  -6.74   1   34.311 ? 91  ASP   B CB   1 ? 2 
ATOM   3034 C CG   . ASP   B 1 79  ? -25.419 -5.116  -8.122  1   36.687 ? 91  ASP   B CG   1 ? 2 
ATOM   3035 O OD1  . ASP   B 1 79  ? -25.939 -4.005  -8.204  1   37.751 ? 91  ASP   B OD1  1 ? 2 
ATOM   3036 O OD2  . ASP   B 1 79  ? -25.297 -5.892  -9.054  1   35.808 ? 91  ASP   B OD2  1 ? 2 
ATOM   3037 H H    . ASP   B 1 79  ? -22.765 -4.327  -6.787  1   27.708 ? 91  ASP   B H    1 c 2 
ATOM   3038 H HA   . ASP   B 1 79  ? -25.222 -3.785  -5.869  1   31.946 ? 91  ASP   B HA   1 c 2 
ATOM   3039 H HB2  . ASP   B 1 79  ? -24.287 -6.266  -6.845  1   33.487 ? 91  ASP   B HB2  1 c 2 
ATOM   3040 H HB3  . ASP   B 1 79  ? -25.783 -6.086  -6.346  1   34.98  ? 91  ASP   B HB3  1 c 2 
ATOM   3041 N N    . ILE   B 1 80  ? -23.487 -5.623  -3.945  1   27.013 ? 92  ILE   B N    1 ? 2 
ATOM   3042 C CA   . ILE   B 1 80  ? -23.311 -6.137  -2.589  1   25.206 ? 92  ILE   B CA   1 ? 2 
ATOM   3043 C C    . ILE   B 1 80  ? -23.134 -4.986  -1.577  1   25.109 ? 92  ILE   B C    1 ? 2 
ATOM   3044 O O    . ILE   B 1 80  ? -23.852 -4.948  -0.576  1   28.011 ? 92  ILE   B O    1 ? 2 
ATOM   3045 C CB   . ILE   B 1 80  ? -22.122 -7.114  -2.52   1   26.95  ? 92  ILE   B CB   1 ? 2 
ATOM   3046 C CG1  . ILE   B 1 80  ? -22.382 -8.419  -3.221  1   27.262 ? 92  ILE   B CG1  1 ? 2 
ATOM   3047 C CG2  . ILE   B 1 80  ? -21.707 -7.381  -1.048  1   29.896 ? 92  ILE   B CG2  1 ? 2 
ATOM   3048 C CD1  . ILE   B 1 80  ? -21.087 -9.147  -3.579  1   28.467 ? 92  ILE   B CD1  1 ? 2 
ATOM   3049 H H    . ILE   B 1 80  ? -22.804 -5.743  -4.539  1   26.742 ? 92  ILE   B H    1 c 2 
ATOM   3050 H HA   . ILE   B 1 80  ? -24.119 -6.631  -2.347  1   26.958 ? 92  ILE   B HA   1 c 2 
ATOM   3051 H HB   . ILE   B 1 80  ? -21.364 -6.686  -2.967  1   26.217 ? 92  ILE   B HB   1 c 2 
ATOM   3052 H HG12 . ILE   B 1 80  ? -22.923 -8.993  -2.64   1   28.513 ? 92  ILE   B HG12 1 c 2 
ATOM   3053 H HG13 . ILE   B 1 80  ? -22.891 -8.248  -4.04   1   28.184 ? 92  ILE   B HG13 1 c 2 
ATOM   3054 H HG21 . ILE   B 1 80  ? -21.177 -8.193  -0.998  1   28.819 ? 92  ILE   B HG21 1 c 2 
ATOM   3055 H HG22 . ILE   B 1 80  ? -22.502 -7.484  -0.498  1   29.763 ? 92  ILE   B HG22 1 c 2 
ATOM   3056 H HG23 . ILE   B 1 80  ? -21.18  -6.635  -0.716  1   28.44  ? 92  ILE   B HG23 1 c 2 
ATOM   3057 H HD11 . ILE   B 1 80  ? -20.492 -8.541  -4.06   1   27.264 ? 92  ILE   B HD11 1 c 2 
ATOM   3058 H HD12 . ILE   B 1 80  ? -21.294 -9.914  -4.145  1   28.456 ? 92  ILE   B HD12 1 c 2 
ATOM   3059 H HD13 . ILE   B 1 80  ? -20.645 -9.456  -2.766  1   27.727 ? 92  ILE   B HD13 1 c 2 
ATOM   3060 N N    . GLY   B 1 81  ? -22.217 -4.049  -1.862  1   23.857 ? 93  GLY   B N    1 ? 2 
ATOM   3061 C CA   . GLY   B 1 81  ? -21.941 -2.949  -0.94   1   29.232 ? 93  GLY   B CA   1 ? 2 
ATOM   3062 C C    . GLY   B 1 81  ? -23.018 -1.923  -0.791  1   24.572 ? 93  GLY   B C    1 ? 2 
ATOM   3063 O O    . GLY   B 1 81  ? -23.324 -1.548  0.339   1   27.955 ? 93  GLY   B O    1 ? 2 
ATOM   3064 H H    . GLY   B 1 81  ? -21.751 -4.096  -2.647  1   24.66  ? 93  GLY   B H    1 c 2 
ATOM   3065 H HA2  . GLY   B 1 81  ? -21.751 -3.334  -0.054  1   26.464 ? 93  GLY   B HA2  1 c 2 
ATOM   3066 H HA3  . GLY   B 1 81  ? -21.118 -2.497  -1.241  1   25.944 ? 93  GLY   B HA3  1 c 2 
ATOM   3067 N N    . VAL   B 1 82  ? -23.611 -1.444  -1.916  1   29.555 ? 94  VAL   B N    1 ? 2 
ATOM   3068 C CA   . VAL   B 1 82  ? -24.611 -0.404  -1.798  1   28.957 ? 94  VAL   B CA   1 ? 2 
ATOM   3069 C C    . VAL   B 1 82  ? -25.865 -0.961  -1.106  1   31.127 ? 94  VAL   B C    1 ? 2 
ATOM   3070 O O    . VAL   B 1 82  ? -26.51  -0.217  -0.38   1   31.518 ? 94  VAL   B O    1 ? 2 
ATOM   3071 C CB   . VAL   B 1 82  ? -24.884 0.231   -3.179  1   30.455 ? 94  VAL   B CB   1 ? 2 
ATOM   3072 C CG1  . VAL   B 1 82  ? -25.976 1.301   -3.058  1   34.935 ? 94  VAL   B CG1  1 ? 2 
ATOM   3073 C CG2  . VAL   B 1 82  ? -23.589 0.828   -3.736  1   27.44  ? 94  VAL   B CG2  1 ? 2 
ATOM   3074 H H    . VAL   B 1 82  ? -23.394 -1.778  -2.738  1   27.638 ? 94  VAL   B H    1 c 2 
ATOM   3075 H HA   . VAL   B 1 82  ? -24.242 0.294   -1.222  1   29.661 ? 94  VAL   B HA   1 c 2 
ATOM   3076 H HB   . VAL   B 1 82  ? -25.198 -0.483  -3.783  1   30.41  ? 94  VAL   B HB   1 c 2 
ATOM   3077 H HG11 . VAL   B 1 82  ? -25.892 1.756   -2.203  1   34.234 ? 94  VAL   B HG11 1 c 2 
ATOM   3078 H HG12 . VAL   B 1 82  ? -26.851 0.881   -3.117  1   34.924 ? 94  VAL   B HG12 1 c 2 
ATOM   3079 H HG13 . VAL   B 1 82  ? -25.879 1.947   -3.778  1   34.485 ? 94  VAL   B HG13 1 c 2 
ATOM   3080 H HG21 . VAL   B 1 82  ? -23.782 1.312   -4.557  1   28.738 ? 94  VAL   B HG21 1 c 2 
ATOM   3081 H HG22 . VAL   B 1 82  ? -22.954 0.117   -3.924  1   27.176 ? 94  VAL   B HG22 1 c 2 
ATOM   3082 H HG23 . VAL   B 1 82  ? -23.206 1.438   -3.084  1   28.04  ? 94  VAL   B HG23 1 c 2 
ATOM   3083 N N    . ALA   B 1 83  ? -26.149 -2.263  -1.225  1   28.232 ? 95  ALA   B N    1 ? 2 
ATOM   3084 C CA   . ALA   B 1 83  ? -27.327 -2.833  -0.565  1   30.933 ? 95  ALA   B CA   1 ? 2 
ATOM   3085 C C    . ALA   B 1 83  ? -27.162 -2.759  0.956   1   27.482 ? 95  ALA   B C    1 ? 2 
ATOM   3086 O O    . ALA   B 1 83  ? -28.157 -2.94   1.635   1   30.789 ? 95  ALA   B O    1 ? 2 
ATOM   3087 C CB   . ALA   B 1 83  ? -27.48  -4.303  -0.997  1   30.239 ? 95  ALA   B CB   1 ? 2 
ATOM   3088 H H    . ALA   B 1 83  ? -25.613 -2.807  -1.729  1   28.335 ? 95  ALA   B H    1 c 2 
ATOM   3089 H HA   . ALA   B 1 83  ? -28.135 -2.312  -0.832  1   31.046 ? 95  ALA   B HA   1 c 2 
ATOM   3090 H HB1  . ALA   B 1 83  ? -27.701 -4.345  -1.943  1   30.666 ? 95  ALA   B HB1  1 c 2 
ATOM   3091 H HB2  . ALA   B 1 83  ? -26.647 -4.779  -0.841  1   29.381 ? 95  ALA   B HB2  1 c 2 
ATOM   3092 H HB3  . ALA   B 1 83  ? -28.19  -4.723  -0.483  1   31.72  ? 95  ALA   B HB3  1 c 2 
ATOM   3093 N N    . THR   B 1 84  ? -25.942 -2.602  1.459   1   30.311 ? 96  THR   B N    1 ? 2 
ATOM   3094 C CA   . THR   B 1 84  ? -25.715 -2.512  2.922   1   31.929 ? 96  THR   B CA   1 ? 2 
ATOM   3095 C C    . THR   B 1 84  ? -25.797 -1.069  3.443   1   37.416 ? 96  THR   B C    1 ? 2 
ATOM   3096 O O    . THR   B 1 84  ? -25.748 -0.837  4.649   1   34.309 ? 96  THR   B O    1 ? 2 
ATOM   3097 C CB   . THR   B 1 84  ? -24.394 -3.096  3.351   1   29.429 ? 96  THR   B CB   1 ? 2 
ATOM   3098 O OG1  . THR   B 1 84  ? -23.348 -2.174  2.914   1   28.557 ? 96  THR   B OG1  1 ? 2 
ATOM   3099 C CG2  . THR   B 1 84  ? -24.098 -4.502  2.846   1   32.068 ? 96  THR   B CG2  1 ? 2 
ATOM   3100 H H    . THR   B 1 84  ? -25.22  -2.57   0.901   1   28.378 ? 96  THR   B H    1 c 2 
ATOM   3101 H HA   . THR   B 1 84  ? -26.422 -3.03   3.364   1   33.292 ? 96  THR   B HA   1 c 2 
ATOM   3102 H HB   . THR   B 1 84  ? -24.383 -3.134  4.337   1   30.963 ? 96  THR   B HB   1 c 2 
ATOM   3103 H HG1  . THR   B 1 84  ? -23.393 -2.082  2.052   0   30     ? 96  THR   B HG1  1 c 2 
ATOM   3104 H HG21 . THR   B 1 84  ? -23.255 -4.81   3.217   1   30.46  ? 96  THR   B HG21 1 c 2 
ATOM   3105 H HG22 . THR   B 1 84  ? -24.041 -4.493  1.877   1   30.43  ? 96  THR   B HG22 1 c 2 
ATOM   3106 H HG23 . THR   B 1 84  ? -24.811 -5.102  3.122   1   32.027 ? 96  THR   B HG23 1 c 2 
ATOM   3107 N N    . MET   B 1 85  ? -25.99  -0.087  2.57    1   33.646 ? 97  MET   B N    1 ? 2 
ATOM   3108 C CA   . MET   B 1 85  ? -25.857 1.335   2.931   1   32.528 ? 97  MET   B CA   1 ? 2 
ATOM   3109 C C    . MET   B 1 85  ? -27.188 2.019   3.199   1   37.148 ? 97  MET   B C    1 ? 2 
ATOM   3110 O O    . MET   B 1 85  ? -28.209 1.656   2.614   1   33.491 ? 97  MET   B O    1 ? 2 
ATOM   3111 C CB   . MET   B 1 85  ? -25.162 2.123   1.814   1   32.456 ? 97  MET   B CB   1 ? 2 
ATOM   3112 C CG   . MET   B 1 85  ? -23.705 1.707   1.584   1   32.043 ? 97  MET   B CG   1 ? 2 
ATOM   3113 S SD   . MET   B 1 85  ? -22.964 2.669   0.26    1   31.275 ? 97  MET   B SD   1 ? 2 
ATOM   3114 C CE   . MET   B 1 85  ? -22.773 4.334   0.959   1   34.274 ? 97  MET   B CE   1 ? 2 
ATOM   3115 H H    . MET   B 1 85  ? -26.216 -0.294  1.71    1   33.76  ? 97  MET   B H    1 c 2 
ATOM   3116 H HA   . MET   B 1 85  ? -25.308 1.393   3.754   1   33.398 ? 97  MET   B HA   1 c 2 
ATOM   3117 H HB2  . MET   B 1 85  ? -25.665 1.997   0.981   1   32.738 ? 97  MET   B HB2  1 c 2 
ATOM   3118 H HB3  . MET   B 1 85  ? -25.189 3.077   2.038   1   33.42  ? 97  MET   B HB3  1 c 2 
ATOM   3119 H HG2  . MET   B 1 85  ? -23.191 1.84    2.402   1   31.64  ? 97  MET   B HG2  1 c 2 
ATOM   3120 H HG3  . MET   B 1 85  ? -23.667 0.76    1.35    1   30.932 ? 97  MET   B HG3  1 c 2 
ATOM   3121 H HE1  . MET   B 1 85  ? -22.525 4.956   0.25    1   34.101 ? 97  MET   B HE1  1 c 2 
ATOM   3122 H HE2  . MET   B 1 85  ? -23.616 4.619   1.357   1   34.941 ? 97  MET   B HE2  1 c 2 
ATOM   3123 H HE3  . MET   B 1 85  ? -22.077 4.323   1.642   1   33.614 ? 97  MET   B HE3  1 c 2 
ATOM   3124 N N    . LYS   B 1 86  ? -27.186 3.003   4.13    1   38.8   ? 98  LYS   B N    1 ? 2 
ATOM   3125 C CA   . LYS   B 1 86  ? -28.382 3.812   4.407   1   45.881 ? 98  LYS   B CA   1 ? 2 
ATOM   3126 C C    . LYS   B 1 86  ? -28.314 5.133   3.639   1   45.012 ? 98  LYS   B C    1 ? 2 
ATOM   3127 O O    . LYS   B 1 86  ? -27.232 5.594   3.271   1   39.174 ? 98  LYS   B O    1 ? 2 
ATOM   3128 C CB   . LYS   B 1 86  ? -28.529 4.088   5.902   1   50.058 ? 98  LYS   B CB   1 ? 2 
ATOM   3129 C CG   . LYS   B 1 86  ? -28.498 2.806   6.72    1   58.962 ? 98  LYS   B CG   1 ? 2 
ATOM   3130 C CD   . LYS   B 1 86  ? -28.68  2.951   8.217   1   71.609 ? 98  LYS   B CD   1 ? 2 
ATOM   3131 C CE   . LYS   B 1 86  ? -28.715 1.587   8.856   1   75.979 ? 98  LYS   B CE   1 ? 2 
ATOM   3132 N NZ   . LYS   B 1 86  ? -29.566 1.68    10.046  1   74.37  ? 98  LYS   B NZ   1 ? 2 
ATOM   3133 H H    . LYS   B 1 86  ? -26.423 3.172   4.603   1   39.101 ? 98  LYS   B H    1 c 2 
ATOM   3134 H HA   . LYS   B 1 86  ? -29.18  3.31    4.102   1   45.586 ? 98  LYS   B HA   1 c 2 
ATOM   3135 H HB2  . LYS   B 1 86  ? -27.801 4.673   6.199   1   51.025 ? 98  LYS   B HB2  1 c 2 
ATOM   3136 H HB3  . LYS   B 1 86  ? -29.379 4.549   6.066   1   53.028 ? 98  LYS   B HB3  1 c 2 
ATOM   3137 H HG2  . LYS   B 1 86  ? -29.2   2.211   6.377   1   59.254 ? 98  LYS   B HG2  1 c 2 
ATOM   3138 H HG3  . LYS   B 1 86  ? -27.638 2.361   6.556   1   57.027 ? 98  LYS   B HG3  1 c 2 
ATOM   3139 H HD2  . LYS   B 1 86  ? -27.934 3.468   8.592   1   69.558 ? 98  LYS   B HD2  1 c 2 
ATOM   3140 H HD3  . LYS   B 1 86  ? -29.519 3.424   8.404   1   71.644 ? 98  LYS   B HD3  1 c 2 
ATOM   3141 H HE2  . LYS   B 1 86  ? -29.084 0.926   8.244   1   73.246 ? 98  LYS   B HE2  1 c 2 
ATOM   3142 H HE3  . LYS   B 1 86  ? -27.818 1.312   9.117   1   72.739 ? 98  LYS   B HE3  1 c 2 
ATOM   3143 H HZ1  . LYS   B 1 86  ? -30.428 1.814   9.799   1   76.848 ? 98  LYS   B HZ1  1 c 2 
ATOM   3144 H HZ2  . LYS   B 1 86  ? -29.295 2.369   10.568  1   76.327 ? 98  LYS   B HZ2  1 c 2 
ATOM   3145 H HZ3  . LYS   B 1 86  ? -29.511 0.91    10.52   1   75.919 ? 98  LYS   B HZ3  1 c 2 
ATOM   3146 N N    . LYS   B 1 87  ? -29.466 5.759   3.414   1   44.328 ? 99  LYS   B N    1 ? 2 
ATOM   3147 C CA   . LYS   B 1 87  ? -29.483 7.064   2.777   1   47.072 ? 99  LYS   B CA   1 ? 2 
ATOM   3148 C C    . LYS   B 1 87  ? -28.651 8.031   3.616   1   47.368 ? 99  LYS   B C    1 ? 2 
ATOM   3149 O O    . LYS   B 1 87  ? -28.821 8.038   4.821   1   48.583 ? 99  LYS   B O    1 ? 2 
ATOM   3150 C CB   . LYS   B 1 87  ? -30.918 7.61    2.684   1   49.553 ? 99  LYS   B CB   1 ? 2 
ATOM   3151 C CG   . LYS   B 1 87  ? -31.061 8.935   1.947   1   53.615 ? 99  LYS   B CG   1 ? 2 
ATOM   3152 C CD   . LYS   B 1 87  ? -32.52  9.294   1.643   1   58.263 ? 99  LYS   B CD   1 ? 2 
ATOM   3153 C CE   . LYS   B 1 87  ? -32.613 10.667  1.044   1   62.425 ? 99  LYS   B CE   1 ? 2 
ATOM   3154 N NZ   . LYS   B 1 87  ? -34.003 11.097  0.817   1   71.661 ? 99  LYS   B NZ   1 ? 2 
ATOM   3155 H H    . LYS   B 1 87  ? -30.255 5.371   3.662   1   46.406 ? 99  LYS   B H    1 c 2 
ATOM   3156 H HA   . LYS   B 1 87  ? -29.088 6.984   1.872   1   45.542 ? 99  LYS   B HA   1 c 2 
ATOM   3157 H HB2  . LYS   B 1 87  ? -31.477 6.943   2.231   1   50.185 ? 99  LYS   B HB2  1 c 2 
ATOM   3158 H HB3  . LYS   B 1 87  ? -31.269 7.723   3.593   1   51.389 ? 99  LYS   B HB3  1 c 2 
ATOM   3159 H HG2  . LYS   B 1 87  ? -30.662 9.646   2.494   1   53.927 ? 99  LYS   B HG2  1 c 2 
ATOM   3160 H HG3  . LYS   B 1 87  ? -30.56  8.881   1.105   1   52.231 ? 99  LYS   B HG3  1 c 2 
ATOM   3161 H HD2  . LYS   B 1 87  ? -32.894 8.64    1.013   1   58.003 ? 99  LYS   B HD2  1 c 2 
ATOM   3162 H HD3  . LYS   B 1 87  ? -33.045 9.265   2.473   1   59.625 ? 99  LYS   B HD3  1 c 2 
ATOM   3163 H HE2  . LYS   B 1 87  ? -32.179 11.307  1.637   1   63.575 ? 99  LYS   B HE2  1 c 2 
ATOM   3164 H HE3  . LYS   B 1 87  ? -32.144 10.68   0.193   1   62.174 ? 99  LYS   B HE3  1 c 2 
ATOM   3165 H HZ1  . LYS   B 1 87  ? -34.46  11.084  1.599   1   70.827 ? 99  LYS   B HZ1  1 c 2 
ATOM   3166 H HZ2  . LYS   B 1 87  ? -34.405 10.537  0.228   1   69.554 ? 99  LYS   B HZ2  1 c 2 
ATOM   3167 H HZ3  . LYS   B 1 87  ? -34.013 11.938  0.48    1   70.983 ? 99  LYS   B HZ3  1 c 2 
ATOM   3168 N N    . GLY   B 1 88  ? -27.739 8.774   2.961   1   44.809 ? 100 GLY   B N    1 ? 2 
ATOM   3169 C CA   . GLY   B 1 88  ? -26.862 9.742   3.626   1   43.731 ? 100 GLY   B CA   1 ? 2 
ATOM   3170 C C    . GLY   B 1 88  ? -25.535 9.103   4.046   1   38.961 ? 100 GLY   B C    1 ? 2 
ATOM   3171 O O    . GLY   B 1 88  ? -24.643 9.803   4.47    1   41.495 ? 100 GLY   B O    1 ? 2 
ATOM   3172 H H    . GLY   B 1 88  ? -27.66  8.673   2.056   1   44.254 ? 100 GLY   B H    1 c 2 
ATOM   3173 H HA2  . GLY   B 1 88  ? -26.685 10.492  3.011   1   44.11  ? 100 GLY   B HA2  1 c 2 
ATOM   3174 H HA3  . GLY   B 1 88  ? -27.321 10.103  4.421   1   45.075 ? 100 GLY   B HA3  1 c 2 
ATOM   3175 N N    . GLU   B 1 89  ? -25.426 7.77    3.991   1   41.532 ? 101 GLU   B N    1 ? 2 
ATOM   3176 C CA   . GLU   B 1 89  ? -24.192 7.101   4.403   1   37.776 ? 101 GLU   B CA   1 ? 2 
ATOM   3177 C C    . GLU   B 1 89  ? -23.057 7.393   3.42    1   35.421 ? 101 GLU   B C    1 ? 2 
ATOM   3178 O O    . GLU   B 1 89  ? -23.261 7.44    2.206   1   33.451 ? 101 GLU   B O    1 ? 2 
ATOM   3179 C CB   . GLU   B 1 89  ? -24.449 5.606   4.482   1   37.249 ? 101 GLU   B CB   1 ? 2 
ATOM   3180 C CG   . GLU   B 1 89  ? -23.302 4.799   5.087   1   39.496 ? 101 GLU   B CG   1 ? 2 
ATOM   3181 C CD   . GLU   B 1 89  ? -23.598 3.326   5.211   1   34.544 ? 101 GLU   B CD   1 ? 2 
ATOM   3182 O OE1  . GLU   B 1 89  ? -24.714 3.096   5.781   1   34.12  ? 101 GLU   B OE1  1 ? 2 
ATOM   3183 O OE2  . GLU   B 1 89  ? -22.735 2.493   4.745   1   32.919 ? 101 GLU   B OE2  1 ? 2 
ATOM   3184 H H    . GLU   B 1 89  ? -26.124 7.264   3.69    1   39.899 ? 101 GLU   B H    1 c 2 
ATOM   3185 H HA   . GLU   B 1 89  ? -23.941 7.435   5.299   1   38.862 ? 101 GLU   B HA   1 c 2 
ATOM   3186 H HB2  . GLU   B 1 89  ? -25.256 5.457   5.017   1   38.813 ? 101 GLU   B HB2  1 c 2 
ATOM   3187 H HB3  . GLU   B 1 89  ? -24.624 5.27    3.579   1   37.048 ? 101 GLU   B HB3  1 c 2 
ATOM   3188 H HG2  . GLU   B 1 89  ? -22.502 4.91    4.531   1   36.746 ? 101 GLU   B HG2  1 c 2 
ATOM   3189 H HG3  . GLU   B 1 89  ? -23.098 5.152   5.979   1   38.562 ? 101 GLU   B HG3  1 c 2 
ATOM   3190 N N    . ILE   B 1 90  ? -21.846 7.608   3.951   1   34.142 ? 102 ILE   B N    1 ? 2 
ATOM   3191 C CA   . ILE   B 1 90  ? -20.649 7.512   3.142   1   33.043 ? 102 ILE   B CA   1 ? 2 
ATOM   3192 C C    . ILE   B 1 90  ? -19.902 6.279   3.625   1   31.423 ? 102 ILE   B C    1 ? 2 
ATOM   3193 O O    . ILE   B 1 90  ? -19.676 6.138   4.836   1   34.834 ? 102 ILE   B O    1 ? 2 
ATOM   3194 C CB   . ILE   B 1 90  ? -19.779 8.77    3.274   1   35.976 ? 102 ILE   B CB   1 ? 2 
ATOM   3195 C CG1  . ILE   B 1 90  ? -20.523 10.019  2.767   1   41.267 ? 102 ILE   B CG1  1 ? 2 
ATOM   3196 C CG2  . ILE   B 1 90  ? -18.441 8.583   2.58    1   38.337 ? 102 ILE   B CG2  1 ? 2 
ATOM   3197 C CD1  . ILE   B 1 90  ? -19.806 11.332  3.032   1   43.092 ? 102 ILE   B CD1  1 ? 2 
ATOM   3198 H H    . ILE   B 1 90  ? -21.767 7.82    4.837   1   35.242 ? 102 ILE   B H    1 c 2 
ATOM   3199 H HA   . ILE   B 1 90  ? -20.9   7.396   2.209   1   32.819 ? 102 ILE   B HA   1 c 2 
ATOM   3200 H HB   . ILE   B 1 90  ? -19.601 8.903   4.226   1   37.542 ? 102 ILE   B HB   1 c 2 
ATOM   3201 H HG12 . ILE   B 1 90  ? -20.663 9.928   1.803   1   39.878 ? 102 ILE   B HG12 1 c 2 
ATOM   3202 H HG13 . ILE   B 1 90  ? -21.404 10.053  3.193   1   41.027 ? 102 ILE   B HG13 1 c 2 
ATOM   3203 H HG21 . ILE   B 1 90  ? -17.967 9.429   2.548   1   38.522 ? 102 ILE   B HG21 1 c 2 
ATOM   3204 H HG22 . ILE   B 1 90  ? -18.586 8.261   1.674   1   36.521 ? 102 ILE   B HG22 1 c 2 
ATOM   3205 H HG23 . ILE   B 1 90  ? -17.906 7.936   3.069   1   36.54  ? 102 ILE   B HG23 1 c 2 
ATOM   3206 H HD11 . ILE   B 1 90  ? -19.542 11.377  3.971   1   43.645 ? 102 ILE   B HD11 1 c 2 
ATOM   3207 H HD12 . ILE   B 1 90  ? -20.404 12.075  2.828   1   44.59  ? 102 ILE   B HD12 1 c 2 
ATOM   3208 H HD13 . ILE   B 1 90  ? -19.011 11.395  2.47    1   42.827 ? 102 ILE   B HD13 1 c 2 
ATOM   3209 N N    . ALA   B 1 91  ? -19.5   5.442   2.658   1   30.242 ? 103 ALA   B N    1 ? 2 
ATOM   3210 C CA   . ALA   B 1 91  ? -18.705 4.264   2.978   1   31.581 ? 103 ALA   B CA   1 ? 2 
ATOM   3211 C C    . ALA   B 1 91  ? -17.484 4.167   2.065   1   27.691 ? 103 ALA   B C    1 ? 2 
ATOM   3212 O O    . ALA   B 1 91  ? -17.48  4.72    0.933   1   30.228 ? 103 ALA   B O    1 ? 2 
ATOM   3213 C CB   . ALA   B 1 91  ? -19.598 3.039   2.82    1   32.047 ? 103 ALA   B CB   1 ? 2 
ATOM   3214 H H    . ALA   B 1 91  ? -19.723 5.605   1.787   1   30.575 ? 103 ALA   B H    1 c 2 
ATOM   3215 H HA   . ALA   B 1 91  ? -18.394 4.332   3.921   1   31.18  ? 103 ALA   B HA   1 c 2 
ATOM   3216 H HB1  . ALA   B 1 91  ? -20.355 3.106   3.426   1   32.352 ? 103 ALA   B HB1  1 c 2 
ATOM   3217 H HB2  . ALA   B 1 91  ? -19.923 2.987   1.905   1   31.292 ? 103 ALA   B HB2  1 c 2 
ATOM   3218 H HB3  . ALA   B 1 91  ? -19.091 2.236   3.027   1   30.922 ? 103 ALA   B HB3  1 c 2 
ATOM   3219 N N    . HIS   B 1 92  ? -16.464 3.483   2.562   1   24.764 ? 104 HIS   B N    1 ? 2 
ATOM   3220 C CA   . HIS   B 1 92  ? -15.297 3.059   1.81    1   26.602 ? 104 HIS   B CA   1 ? 2 
ATOM   3221 C C    . HIS   B 1 92  ? -15.398 1.583   1.502   1   29.34  ? 104 HIS   B C    1 ? 2 
ATOM   3222 O O    . HIS   B 1 92  ? -15.697 0.788   2.395   1   27.31  ? 104 HIS   B O    1 ? 2 
ATOM   3223 C CB   . HIS   B 1 92  ? -14.015 3.363   2.57    1   29.062 ? 104 HIS   B CB   1 ? 2 
ATOM   3224 C CG   . HIS   B 1 92  ? -13.653 4.802   2.603   1   29.962 ? 104 HIS   B CG   1 ? 2 
ATOM   3225 N ND1  . HIS   B 1 92  ? -12.599 5.281   3.323   1   31.693 ? 104 HIS   B ND1  1 ? 2 
ATOM   3226 C CD2  . HIS   B 1 92  ? -14.225 5.879   1.989   1   30.141 ? 104 HIS   B CD2  1 ? 2 
ATOM   3227 C CE1  . HIS   B 1 92  ? -12.528 6.596   3.123   1   31.776 ? 104 HIS   B CE1  1 ? 2 
ATOM   3228 N NE2  . HIS   B 1 92  ? -13.493 6.963   2.3     1   34.821 ? 104 HIS   B NE2  1 ? 2 
ATOM   3229 H H    . HIS   B 1 92  ? -16.497 3.261   3.448   1   26.212 ? 104 HIS   B H    1 c 2 
ATOM   3230 H HA   . HIS   B 1 92  ? -15.283 3.554   0.958   1   27.277 ? 104 HIS   B HA   1 c 2 
ATOM   3231 H HB2  . HIS   B 1 92  ? -14.113 3.039   3.491   1   28.681 ? 104 HIS   B HB2  1 c 2 
ATOM   3232 H HB3  . HIS   B 1 92  ? -13.279 2.861   2.157   1   28.12  ? 104 HIS   B HB3  1 c 2 
ATOM   3233 H HD1  . HIS   B 1 92  ? -12.054 4.821   3.841   0   30     ? 104 HIS   B HD1  1 c 2 
ATOM   3234 H HD2  . HIS   B 1 92  ? -14.961 5.866   1.409   1   30.511 ? 104 HIS   B HD2  1 c 2 
ATOM   3235 H HE1  . HIS   B 1 92  ? -11.887 7.168   3.507   1   34.195 ? 104 HIS   B HE1  1 c 2 
ATOM   3236 H HE2  . HIS   B 1 92  ? -13.641 7.781   2.015   0   30     ? 104 HIS   B HE2  1 c 2 
ATOM   3237 N N    . LEU   B 1 93  ? -15.245 1.213   0.216   1   27.299 ? 105 LEU   B N    1 ? 2 
ATOM   3238 C CA   . LEU   B 1 93  ? -15.159 -0.185  -0.19   1   29.96  ? 105 LEU   B CA   1 ? 2 
ATOM   3239 C C    . LEU   B 1 93  ? -13.759 -0.47   -0.755  1   29.622 ? 105 LEU   B C    1 ? 2 
ATOM   3240 O O    . LEU   B 1 93  ? -13.224 0.307   -1.564  1   28.715 ? 105 LEU   B O    1 ? 2 
ATOM   3241 C CB   . LEU   B 1 93  ? -16.238 -0.556  -1.211  1   25.775 ? 105 LEU   B CB   1 ? 2 
ATOM   3242 C CG   . LEU   B 1 93  ? -17.708 -0.351  -0.848  1   25.175 ? 105 LEU   B CG   1 ? 2 
ATOM   3243 C CD1  . LEU   B 1 93  ? -18.53  -0.786  -2.04   1   27.45  ? 105 LEU   B CD1  1 ? 2 
ATOM   3244 C CD2  . LEU   B 1 93  ? -18.001 -1.155  0.416   1   26.292 ? 105 LEU   B CD2  1 ? 2 
ATOM   3245 H H    . LEU   B 1 93  ? -15.193 1.858   -0.43   1   28.709 ? 105 LEU   B H    1 c 2 
ATOM   3246 H HA   . LEU   B 1 93  ? -15.283 -0.742  0.615   1   28.261 ? 105 LEU   B HA   1 c 2 
ATOM   3247 H HB2  . LEU   B 1 93  ? -16.057 -0.048  -2.035  1   26.595 ? 105 LEU   B HB2  1 c 2 
ATOM   3248 H HB3  . LEU   B 1 93  ? -16.114 -1.504  -1.446  1   25.875 ? 105 LEU   B HB3  1 c 2 
ATOM   3249 H HG   . LEU   B 1 93  ? -17.867 0.612   -0.671  1   26.608 ? 105 LEU   B HG   1 c 2 
ATOM   3250 H HD11 . LEU   B 1 93  ? -18.3   -0.24   -2.811  1   26.94  ? 105 LEU   B HD11 1 c 2 
ATOM   3251 H HD12 . LEU   B 1 93  ? -19.475 -0.681  -1.84   1   27.115 ? 105 LEU   B HD12 1 c 2 
ATOM   3252 H HD13 . LEU   B 1 93  ? -18.345 -1.719  -2.24   1   26.243 ? 105 LEU   B HD13 1 c 2 
ATOM   3253 H HD21 . LEU   B 1 93  ? -17.599 -0.713  1.182   1   26.343 ? 105 LEU   B HD21 1 c 2 
ATOM   3254 H HD22 . LEU   B 1 93  ? -17.629 -2.049  0.326   1   25.503 ? 105 LEU   B HD22 1 c 2 
ATOM   3255 H HD23 . LEU   B 1 93  ? -18.962 -1.217  0.546   1   26.267 ? 105 LEU   B HD23 1 c 2 
ATOM   3256 N N    . LEU   B 1 94  ? -13.201 -1.625  -0.388  1   25.994 ? 106 LEU   B N    1 ? 2 
ATOM   3257 C CA   . LEU   B 1 94  ? -11.998 -2.194  -1.01   1   26.844 ? 106 LEU   B CA   1 ? 2 
ATOM   3258 C C    . LEU   B 1 94  ? -12.384 -3.542  -1.606  1   28.087 ? 106 LEU   B C    1 ? 2 
ATOM   3259 O O    . LEU   B 1 94  ? -12.976 -4.368  -0.918  1   25.76  ? 106 LEU   B O    1 ? 2 
ATOM   3260 C CB   . LEU   B 1 94  ? -10.794 -2.324  -0.102  1   29.773 ? 106 LEU   B CB   1 ? 2 
ATOM   3261 C CG   . LEU   B 1 94  ? -9.48   -2.648  -0.799  1   31.458 ? 106 LEU   B CG   1 ? 2 
ATOM   3262 C CD1  . LEU   B 1 94  ? -8.914  -1.451  -1.613  1   28.892 ? 106 LEU   B CD1  1 ? 2 
ATOM   3263 C CD2  . LEU   B 1 94  ? -8.5    -3.043  0.228   1   32.296 ? 106 LEU   B CD2  1 ? 2 
ATOM   3264 H H    . LEU   B 1 94  ? -13.589 -2.093  0.294   1   26.796 ? 106 LEU   B H    1 c 2 
ATOM   3265 H HA   . LEU   B 1 94  ? -11.75  -1.602  -1.763  1   27.715 ? 106 LEU   B HA   1 c 2 
ATOM   3266 H HB2  . LEU   B 1 94  ? -10.686 -1.477  0.389   1   30.078 ? 106 LEU   B HB2  1 c 2 
ATOM   3267 H HB3  . LEU   B 1 94  ? -10.982 -3.032  0.557   1   29.334 ? 106 LEU   B HB3  1 c 2 
ATOM   3268 H HG   . LEU   B 1 94  ? -9.624  -3.413  -1.413  1   30.121 ? 106 LEU   B HG   1 c 2 
ATOM   3269 H HD11 . LEU   B 1 94  ? -9.542  -1.206  -2.311  1   29.442 ? 106 LEU   B HD11 1 c 2 
ATOM   3270 H HD12 . LEU   B 1 94  ? -8.066  -1.705  -2.015  1   30.447 ? 106 LEU   B HD12 1 c 2 
ATOM   3271 H HD13 . LEU   B 1 94  ? -8.777  -0.692  -1.021  1   30.466 ? 106 LEU   B HD13 1 c 2 
ATOM   3272 H HD21 . LEU   B 1 94  ? -8.792  -3.865  0.657   1   31.925 ? 106 LEU   B HD21 1 c 2 
ATOM   3273 H HD22 . LEU   B 1 94  ? -8.425  -2.34   0.895   1   32.834 ? 106 LEU   B HD22 1 c 2 
ATOM   3274 H HD23 . LEU   B 1 94  ? -7.634  -3.187  -0.188  1   32.887 ? 106 LEU   B HD23 1 c 2 
ATOM   3275 N N    . ILE   B 1 95  ? -12.083 -3.745  -2.912  1   25.103 ? 107 ILE   B N    1 ? 2 
ATOM   3276 C CA   . ILE   B 1 95  ? -12.733 -4.812  -3.7    1   25.572 ? 107 ILE   B CA   1 ? 2 
ATOM   3277 C C    . ILE   B 1 95  ? -11.705 -5.658  -4.459  1   25.537 ? 107 ILE   B C    1 ? 2 
ATOM   3278 O O    . ILE   B 1 95  ? -10.891 -5.104  -5.229  1   26.445 ? 107 ILE   B O    1 ? 2 
ATOM   3279 C CB   . ILE   B 1 95  ? -13.698 -4.15   -4.682  1   26.881 ? 107 ILE   B CB   1 ? 2 
ATOM   3280 C CG1  . ILE   B 1 95  ? -14.789 -3.233  -3.941  1   23.782 ? 107 ILE   B CG1  1 ? 2 
ATOM   3281 C CG2  . ILE   B 1 95  ? -14.285 -5.175  -5.622  1   24.192 ? 107 ILE   B CG2  1 ? 2 
ATOM   3282 C CD1  . ILE   B 1 95  ? -15.431 -2.285  -4.933  1   28.696 ? 107 ILE   B CD1  1 ? 2 
ATOM   3283 H H    . ILE   B 1 95  ? -11.46  -3.213  -3.318  1   26.466 ? 107 ILE   B H    1 c 2 
ATOM   3284 H HA   . ILE   B 1 95  ? -13.242 -5.387  -3.099  1   25.285 ? 107 ILE   B HA   1 c 2 
ATOM   3285 H HB   . ILE   B 1 95  ? -13.16  -3.546  -5.231  1   25.994 ? 107 ILE   B HB   1 c 2 
ATOM   3286 H HG12 . ILE   B 1 95  ? -15.476 -3.803  -3.54   1   25.141 ? 107 ILE   B HG12 1 c 2 
ATOM   3287 H HG13 . ILE   B 1 95  ? -14.359 -2.716  -3.231  1   25.522 ? 107 ILE   B HG13 1 c 2 
ATOM   3288 H HG21 . ILE   B 1 95  ? -15.059 -4.8    -6.072  1   25.117 ? 107 ILE   B HG21 1 c 2 
ATOM   3289 H HG22 . ILE   B 1 95  ? -14.554 -5.962  -5.119  1   24.744 ? 107 ILE   B HG22 1 c 2 
ATOM   3290 H HG23 . ILE   B 1 95  ? -13.622 -5.428  -6.286  1   25.293 ? 107 ILE   B HG23 1 c 2 
ATOM   3291 H HD11 . ILE   B 1 95  ? -14.737 -1.749  -5.36   1   27.648 ? 107 ILE   B HD11 1 c 2 
ATOM   3292 H HD12 . ILE   B 1 95  ? -16.052 -1.696  -4.464  1   27.397 ? 107 ILE   B HD12 1 c 2 
ATOM   3293 H HD13 . ILE   B 1 95  ? -15.914 -2.788  -5.614  1   27.262 ? 107 ILE   B HD13 1 c 2 
ATOM   3294 N N    . LYS   B 1 96  ? -11.674 -6.962  -4.191  1   24.438 ? 108 LYS   B N    1 ? 2 
ATOM   3295 C CA   . LYS   B 1 96  ? -10.802 -7.895  -4.936  1   26.222 ? 108 LYS   B CA   1 ? 2 
ATOM   3296 C C    . LYS   B 1 96  ? -11.319 -8.074  -6.337  1   25.693 ? 108 LYS   B C    1 ? 2 
ATOM   3297 O O    . LYS   B 1 96  ? -12.497 -7.857  -6.607  1   25.801 ? 108 LYS   B O    1 ? 2 
ATOM   3298 C CB   . LYS   B 1 96  ? -10.764 -9.26   -4.244  1   30.516 ? 108 LYS   B CB   1 ? 2 
ATOM   3299 C CG   . LYS   B 1 96  ? -10.002 -9.213  -2.895  1   28.027 ? 108 LYS   B CG   1 ? 2 
ATOM   3300 C CD   . LYS   B 1 96  ? -9.89   -10.615 -2.27   1   29.134 ? 108 LYS   B CD   1 ? 2 
ATOM   3301 C CE   . LYS   B 1 96  ? -9.191  -10.644 -0.914  1   35.64  ? 108 LYS   B CE   1 ? 2 
ATOM   3302 N NZ   . LYS   B 1 96  ? -9.261  -12.076 -0.581  1   41.757 ? 108 LYS   B NZ   1 ? 2 
ATOM   3303 H H    . LYS   B 1 96  ? -12.206 -7.294  -3.526  1   24.752 ? 108 LYS   B H    1 c 2 
ATOM   3304 H HA   . LYS   B 1 96  ? -9.889  -7.514  -4.969  1   27.035 ? 108 LYS   B HA   1 c 2 
ATOM   3305 H HB2  . LYS   B 1 96  ? -11.682 -9.564  -4.079  1   28.527 ? 108 LYS   B HB2  1 c 2 
ATOM   3306 H HB3  . LYS   B 1 96  ? -10.328 -9.913  -4.831  1   29.381 ? 108 LYS   B HB3  1 c 2 
ATOM   3307 H HG2  . LYS   B 1 96  ? -9.103  -8.85   -3.048  1   29.261 ? 108 LYS   B HG2  1 c 2 
ATOM   3308 H HG3  . LYS   B 1 96  ? -10.479 -8.616  -2.278  1   28.338 ? 108 LYS   B HG3  1 c 2 
ATOM   3309 H HD2  . LYS   B 1 96  ? -10.792 -10.988 -2.172  1   30.069 ? 108 LYS   B HD2  1 c 2 
ATOM   3310 H HD3  . LYS   B 1 96  ? -9.398  -11.193 -2.893  1   30.906 ? 108 LYS   B HD3  1 c 2 
ATOM   3311 H HE2  . LYS   B 1 96  ? -8.263  -10.355 -0.981  1   35.874 ? 108 LYS   B HE2  1 c 2 
ATOM   3312 H HE3  . LYS   B 1 96  ? -9.663  -10.114 -0.248  1   34.959 ? 108 LYS   B HE3  1 c 2 
ATOM   3313 H HZ1  . LYS   B 1 96  ? -8.842  -12.569 -1.214  1   40.295 ? 108 LYS   B HZ1  1 c 2 
ATOM   3314 H HZ2  . LYS   B 1 96  ? -10.125 -12.342 -0.515  1   39.548 ? 108 LYS   B HZ2  1 c 2 
ATOM   3315 H HZ3  . LYS   B 1 96  ? -8.853  -12.217 0.215   1   40.6   ? 108 LYS   B HZ3  1 c 2 
ATOM   3316 N N    . PRO   B 1 97  ? -10.463 -8.449  -7.319  1   25.536 ? 109 PRO   B N    1 ? 2 
ATOM   3317 C CA   . PRO   B 1 97  ? -10.903 -8.558  -8.719  1   25.328 ? 109 PRO   B CA   1 ? 2 
ATOM   3318 C C    . PRO   B 1 97  ? -12.085 -9.468  -8.997  1   23.564 ? 109 PRO   B C    1 ? 2 
ATOM   3319 O O    . PRO   B 1 97  ? -12.824 -9.21   -9.932  1   26.204 ? 109 PRO   B O    1 ? 2 
ATOM   3320 C CB   . PRO   B 1 97  ? -9.631  -9.062  -9.372  1   29.441 ? 109 PRO   B CB   1 ? 2 
ATOM   3321 C CG   . PRO   B 1 97  ? -8.569  -9.472  -8.362  1   28.696 ? 109 PRO   B CG   1 ? 2 
ATOM   3322 C CD   . PRO   B 1 97  ? -9.02   -8.7    -7.113  1   29.184 ? 109 PRO   B CD   1 ? 2 
ATOM   3323 H HA   . PRO   B 1 97  ? -11.104 -7.662  -9.06   1   25.644 ? 109 PRO   B HA   1 c 2 
ATOM   3324 H HB2  . PRO   B 1 97  ? -9.837  -9.821  -9.952  1   29     ? 109 PRO   B HB2  1 c 2 
ATOM   3325 H HB3  . PRO   B 1 97  ? -9.269  -8.368  -9.958  1   29.084 ? 109 PRO   B HB3  1 c 2 
ATOM   3326 H HG2  . PRO   B 1 97  ? -8.578  -10.437 -8.205  1   29.468 ? 109 PRO   B HG2  1 c 2 
ATOM   3327 H HG3  . PRO   B 1 97  ? -7.676  -9.195  -8.647  1   30.092 ? 109 PRO   B HG3  1 c 2 
ATOM   3328 H HD2  . PRO   B 1 97  ? -8.874  -9.231  -6.307  1   28.081 ? 109 PRO   B HD2  1 c 2 
ATOM   3329 H HD3  . PRO   B 1 97  ? -8.535  -7.856  -7.029  1   28.358 ? 109 PRO   B HD3  1 c 2 
ATOM   3330 N N    . GLU   B 1 98  ? -12.246 -10.535 -8.168  1   25.013 ? 110 GLU   B N    1 ? 2 
ATOM   3331 C CA   . GLU   B 1 98  ? -13.349 -11.476 -8.342  1   29.483 ? 110 GLU   B CA   1 ? 2 
ATOM   3332 C C    . GLU   B 1 98  ? -14.708 -10.77  -8.223  1   25.099 ? 110 GLU   B C    1 ? 2 
ATOM   3333 O O    . GLU   B 1 98  ? -15.707 -11.271 -8.776  1   28.744 ? 110 GLU   B O    1 ? 2 
ATOM   3334 C CB   . GLU   B 1 98  ? -13.313 -12.627 -7.342  1   34.578 ? 110 GLU   B CB   1 ? 2 
ATOM   3335 C CG   . GLU   B 1 98  ? -12.113 -13.571 -7.599  1   41.194 ? 110 GLU   B CG   1 ? 2 
ATOM   3336 C CD   . GLU   B 1 98  ? -10.717 -13.03  -7.22   1   45.267 ? 110 GLU   B CD   1 ? 2 
ATOM   3337 O OE1  . GLU   B 1 98  ? -10.579 -12.072 -6.363  1   29.911 ? 110 GLU   B OE1  1 ? 2 
ATOM   3338 O OE2  . GLU   B 1 98  ? -9.76   -13.505 -7.901  1   45.308 ? 110 GLU   B OE2  1 ? 2 
ATOM   3339 H H    . GLU   B 1 98  ? -11.659 -10.665 -7.48   1   25.529 ? 110 GLU   B H    1 c 2 
ATOM   3340 H HA   . GLU   B 1 98  ? -13.28  -11.86  -9.253  1   29.489 ? 110 GLU   B HA   1 c 2 
ATOM   3341 H HB2  . GLU   B 1 98  ? -13.261 -12.259 -6.437  1   33.902 ? 110 GLU   B HB2  1 c 2 
ATOM   3342 H HB3  . GLU   B 1 98  ? -14.147 -13.137 -7.412  1   34.742 ? 110 GLU   B HB3  1 c 2 
ATOM   3343 H HG2  . GLU   B 1 98  ? -12.261 -14.404 -7.103  1   41.125 ? 110 GLU   B HG2  1 c 2 
ATOM   3344 H HG3  . GLU   B 1 98  ? -12.099 -13.806 -8.551  1   41.307 ? 110 GLU   B HG3  1 c 2 
ATOM   3345 N N    . TYR   B 1 99  ? -14.753 -9.609  -7.552  1   24.889 ? 111 TYR   B N    1 ? 2 
ATOM   3346 C CA   . TYR   B 1 99  ? -16.011 -8.906  -7.356  1   25.971 ? 111 TYR   B CA   1 ? 2 
ATOM   3347 C C    . TYR   B 1 99  ? -16.009 -7.613  -8.171  1   28.712 ? 111 TYR   B C    1 ? 2 
ATOM   3348 O O    . TYR   B 1 99  ? -16.873 -6.714  -8.008  1   26.389 ? 111 TYR   B O    1 ? 2 
ATOM   3349 C CB   . TYR   B 1 99  ? -16.314 -8.563  -5.894  1   24.546 ? 111 TYR   B CB   1 ? 2 
ATOM   3350 C CG   . TYR   B 1 99  ? -16.558 -9.84   -5.109  1   24.99  ? 111 TYR   B CG   1 ? 2 
ATOM   3351 C CD1  . TYR   B 1 99  ? -15.524 -10.589 -4.561  1   22.938 ? 111 TYR   B CD1  1 ? 2 
ATOM   3352 C CD2  . TYR   B 1 99  ? -17.844 -10.309 -4.896  1   29.259 ? 111 TYR   B CD2  1 ? 2 
ATOM   3353 C CE1  . TYR   B 1 99  ? -15.733 -11.735 -3.851  1   25.064 ? 111 TYR   B CE1  1 ? 2 
ATOM   3354 C CE2  . TYR   B 1 99  ? -18.073 -11.501 -4.241  1   30.005 ? 111 TYR   B CE2  1 ? 2 
ATOM   3355 C CZ   . TYR   B 1 99  ? -17.018 -12.194 -3.655  1   28.256 ? 111 TYR   B CZ   1 ? 2 
ATOM   3356 O OH   . TYR   B 1 99  ? -17.255 -13.379 -2.962  1   28.509 ? 111 TYR   B OH   1 ? 2 
ATOM   3357 H H    . TYR   B 1 99  ? -13.992 -9.259  -7.187  1   24.791 ? 111 TYR   B H    1 c 2 
ATOM   3358 H HA   . TYR   B 1 99  ? -16.747 -9.483  -7.694  1   26.478 ? 111 TYR   B HA   1 c 2 
ATOM   3359 H HB2  . TYR   B 1 99  ? -15.549 -8.08   -5.509  1   24.448 ? 111 TYR   B HB2  1 c 2 
ATOM   3360 H HB3  . TYR   B 1 99  ? -17.115 -7.995  -5.852  1   24.775 ? 111 TYR   B HB3  1 c 2 
ATOM   3361 H HD1  . TYR   B 1 99  ? -14.637 -10.281 -4.668  1   23.699 ? 111 TYR   B HD1  1 c 2 
ATOM   3362 H HD2  . TYR   B 1 99  ? -18.573 -9.848  -5.28   1   28.417 ? 111 TYR   B HD2  1 c 2 
ATOM   3363 H HE1  . TYR   B 1 99  ? -15.004 -12.211 -3.493  1   25.584 ? 111 TYR   B HE1  1 c 2 
ATOM   3364 H HE2  . TYR   B 1 99  ? -18.958 -11.793 -4.098  1   30.046 ? 111 TYR   B HE2  1 c 2 
ATOM   3365 H HH   . TYR   B 1 99  ? -16.543 -13.716 -2.729  0   30     ? 111 TYR   B HH   1 c 2 
ATOM   3366 N N    . ALA   B 1 100 ? -15.041 -7.535  -9.113  1   24.371 ? 112 ALA   B N    1 ? 2 
ATOM   3367 C CA   . ALA   B 1 100 ? -14.972 -6.387  -9.964  1   25.477 ? 112 ALA   B CA   1 ? 2 
ATOM   3368 C C    . ALA   B 1 100 ? -14.777 -6.872  -11.411 1   25.681 ? 112 ALA   B C    1 ? 2 
ATOM   3369 O O    . ALA   B 1 100 ? -15.773 -7.329  -12.019 1   29.363 ? 112 ALA   B O    1 ? 2 
ATOM   3370 C CB   . ALA   B 1 100 ? -13.827 -5.452  -9.54   1   25.934 ? 112 ALA   B CB   1 ? 2 
ATOM   3371 H H    . ALA   B 1 100 ? -14.435 -8.209  -9.221  1   25.753 ? 112 ALA   B H    1 c 2 
ATOM   3372 H HA   . ALA   B 1 100 ? -15.836 -5.895  -9.913  1   25.303 ? 112 ALA   B HA   1 c 2 
ATOM   3373 H HB1  . ALA   B 1 100 ? -14.07  -4.994  -8.718  1   25.205 ? 112 ALA   B HB1  1 c 2 
ATOM   3374 H HB2  . ALA   B 1 100 ? -13.019 -5.971  -9.388  1   25.805 ? 112 ALA   B HB2  1 c 2 
ATOM   3375 H HB3  . ALA   B 1 100 ? -13.664 -4.793  -10.235 1   26.425 ? 112 ALA   B HB3  1 c 2 
ATOM   3376 N N    . TYR   B 1 101 ? -13.545 -6.729  -11.956 1   26.94  ? 113 TYR   B N    1 ? 2 
ATOM   3377 C CA   . TYR   B 1 101 ? -13.369 -7.001  -13.401 1   28.092 ? 113 TYR   B CA   1 ? 2 
ATOM   3378 C C    . TYR   B 1 101 ? -12.525 -8.254  -13.673 1   29.767 ? 113 TYR   B C    1 ? 2 
ATOM   3379 O O    . TYR   B 1 101 ? -12.225 -8.533  -14.817 1   29.932 ? 113 TYR   B O    1 ? 2 
ATOM   3380 C CB   . TYR   B 1 101 ? -12.777 -5.783  -14.078 1   27.9   ? 113 TYR   B CB   1 ? 2 
ATOM   3381 C CG   . TYR   B 1 101 ? -13.655 -4.572  -14.025 1   27.55  ? 113 TYR   B CG   1 ? 2 
ATOM   3382 C CD1  . TYR   B 1 101 ? -14.721 -4.42   -14.921 1   30.311 ? 113 TYR   B CD1  1 ? 2 
ATOM   3383 C CD2  . TYR   B 1 101 ? -13.456 -3.606  -13.061 1   27.28  ? 113 TYR   B CD2  1 ? 2 
ATOM   3384 C CE1  . TYR   B 1 101 ? -15.523 -3.275  -14.852 1   32.107 ? 113 TYR   B CE1  1 ? 2 
ATOM   3385 C CE2  . TYR   B 1 101 ? -14.277 -2.493  -12.946 1   26.866 ? 113 TYR   B CE2  1 ? 2 
ATOM   3386 C CZ   . TYR   B 1 101 ? -15.323 -2.34   -13.833 1   28.406 ? 113 TYR   B CZ   1 ? 2 
ATOM   3387 O OH   . TYR   B 1 101 ? -16.155 -1.248  -13.786 1   32.092 ? 113 TYR   B OH   1 ? 2 
ATOM   3388 H H    . TYR   B 1 101 ? -12.825 -6.482  -11.451 1   26.453 ? 113 TYR   B H    1 c 2 
ATOM   3389 H HA   . TYR   B 1 101 ? -14.268 -7.154  -13.795 1   28.439 ? 113 TYR   B HA   1 c 2 
ATOM   3390 H HB2  . TYR   B 1 101 ? -11.918 -5.573  -13.649 1   27.945 ? 113 TYR   B HB2  1 c 2 
ATOM   3391 H HB3  . TYR   B 1 101 ? -12.598 -6.003  -15.019 1   29.356 ? 113 TYR   B HB3  1 c 2 
ATOM   3392 H HD1  . TYR   B 1 101 ? -14.867 -5.061  -15.599 1   30.974 ? 113 TYR   B HD1  1 c 2 
ATOM   3393 H HD2  . TYR   B 1 101 ? -12.759 -3.723  -12.435 1   26.545 ? 113 TYR   B HD2  1 c 2 
ATOM   3394 H HE1  . TYR   B 1 101 ? -16.248 -3.173  -15.445 1   31.892 ? 113 TYR   B HE1  1 c 2 
ATOM   3395 H HE2  . TYR   B 1 101 ? -14.121 -1.85   -12.277 1   26.871 ? 113 TYR   B HE2  1 c 2 
ATOM   3396 H HH   . TYR   B 1 101 ? -16.747 -1.325  -14.434 0   30     ? 113 TYR   B HH   1 c 2 
ATOM   3397 N N    . GLY   B 1 102 ? -12.081 -8.952  -12.65  1   29.037 ? 114 GLY   B N    1 ? 2 
ATOM   3398 C CA   . GLY   B 1 102 ? -11.594 -10.327 -12.766 1   31.954 ? 114 GLY   B CA   1 ? 2 
ATOM   3399 C C    . GLY   B 1 102 ? -10.227 -10.386 -13.456 1   32.107 ? 114 GLY   B C    1 ? 2 
ATOM   3400 O O    . GLY   B 1 102 ? -9.502  -9.39   -13.613 1   32.575 ? 114 GLY   B O    1 ? 2 
ATOM   3401 H H    . GLY   B 1 102 ? -12.066 -8.561  -11.825 1   28.561 ? 114 GLY   B H    1 c 2 
ATOM   3402 H HA2  . GLY   B 1 102 ? -11.525 -10.721 -11.865 1   30.494 ? 114 GLY   B HA2  1 c 2 
ATOM   3403 H HA3  . GLY   B 1 102 ? -12.246 -10.857 -13.281 1   31.648 ? 114 GLY   B HA3  1 c 2 
ATOM   3404 N N    . SER   B 1 103 ? -9.919  -11.556 -13.999 1   33.747 ? 115 SER   B N    1 ? 2 
ATOM   3405 C CA   . SER   B 1 103 ? -8.627  -11.753 -14.663 1   33.131 ? 115 SER   B CA   1 ? 2 
ATOM   3406 C C    . SER   B 1 103 ? -8.656  -11.108 -16.02  1   32.008 ? 115 SER   B C    1 ? 2 
ATOM   3407 O O    . SER   B 1 103 ? -7.609  -10.741 -16.533 1   35.82  ? 115 SER   B O    1 ? 2 
ATOM   3408 C CB   . SER   B 1 103 ? -8.292  -13.198 -14.66  1   38.178 ? 115 SER   B CB   1 ? 2 
ATOM   3409 O OG   . SER   B 1 103 ? -9.257  -13.927 -15.375 1   39.838 ? 115 SER   B OG   1 ? 2 
ATOM   3410 H H    . SER   B 1 103 ? -10.514 -12.249 -13.961 1   33.114 ? 115 SER   B H    1 c 2 
ATOM   3411 H HA   . SER   B 1 103 ? -7.941  -11.284 -14.13  1   33.497 ? 115 SER   B HA   1 c 2 
ATOM   3412 H HB2  . SER   B 1 103 ? -7.415  -13.328 -15.069 1   38.683 ? 115 SER   B HB2  1 c 2 
ATOM   3413 H HB3  . SER   B 1 103 ? -8.255  -13.522 -13.741 1   36.55  ? 115 SER   B HB3  1 c 2 
ATOM   3414 H HG   . SER   B 1 103 ? -9.097  -14.788 -15.378 0   30     ? 115 SER   B HG   1 c 2 
ATOM   3415 N N    . ALA   B 1 104 ? -9.835  -10.947 -16.659 1   32.786 ? 116 ALA   B N    1 ? 2 
ATOM   3416 C CA   . ALA   B 1 104 ? -9.858  -10.32  -17.959 1   36.917 ? 116 ALA   B CA   1 ? 2 
ATOM   3417 C C    . ALA   B 1 104 ? -9.565  -8.835  -17.871 1   32.91  ? 116 ALA   B C    1 ? 2 
ATOM   3418 O O    . ALA   B 1 104 ? -9.015  -8.245  -18.791 1   34.371 ? 116 ALA   B O    1 ? 2 
ATOM   3419 C CB   . ALA   B 1 104 ? -11.21  -10.532 -18.669 1   43.216 ? 116 ALA   B CB   1 ? 2 
ATOM   3420 H H    . ALA   B 1 104 ? -10.617 -11.235 -16.282 1   32.319 ? 116 ALA   B H    1 c 2 
ATOM   3421 H HA   . ALA   B 1 104 ? -9.143  -10.739 -18.513 1   38.055 ? 116 ALA   B HA   1 c 2 
ATOM   3422 H HB1  . ALA   B 1 104 ? -11.314 -11.47  -18.903 1   42.041 ? 116 ALA   B HB1  1 c 2 
ATOM   3423 H HB2  . ALA   B 1 104 ? -11.935 -10.267 -18.079 1   40.009 ? 116 ALA   B HB2  1 c 2 
ATOM   3424 H HB3  . ALA   B 1 104 ? -11.243 -9.994  -19.478 1   42.524 ? 116 ALA   B HB3  1 c 2 
ATOM   3425 N N    . GLY   B 1 105 ? -9.947  -8.221  -16.758 1   32.727 ? 117 GLY   B N    1 ? 2 
ATOM   3426 C CA   . GLY   B 1 105 ? -9.912  -6.765  -16.629 1   31.607 ? 117 GLY   B CA   1 ? 2 
ATOM   3427 C C    . GLY   B 1 105 ? -10.94  -6.085  -17.519 1   33.68  ? 117 GLY   B C    1 ? 2 
ATOM   3428 O O    . GLY   B 1 105 ? -11.816 -6.752  -18.087 1   32.846 ? 117 GLY   B O    1 ? 2 
ATOM   3429 H H    . GLY   B 1 105 ? -10.249 -8.715  -16.051 1   30.897 ? 117 GLY   B H    1 c 2 
ATOM   3430 H HA2  . GLY   B 1 105 ? -10.082 -6.523  -15.69  1   30.698 ? 117 GLY   B HA2  1 c 2 
ATOM   3431 H HA3  . GLY   B 1 105 ? -9.01   -6.444  -16.865 1   33.139 ? 117 GLY   B HA3  1 c 2 
ATOM   3432 N N    . SER   B 1 106 ? -10.687 -4.78   -17.782 1   34.272 ? 118 SER   B N    1 ? 2 
ATOM   3433 C CA   . SER   B 1 106 ? -11.49  -3.996  -18.663 1   35.695 ? 118 SER   B CA   1 ? 2 
ATOM   3434 C C    . SER   B 1 106 ? -10.652 -2.829  -19.159 1   37.455 ? 118 SER   B C    1 ? 2 
ATOM   3435 O O    . SER   B 1 106 ? -10.894 -1.675  -18.821 1   37.799 ? 118 SER   B O    1 ? 2 
ATOM   3436 C CB   . SER   B 1 106 ? -12.787 -3.518  -17.938 1   34.606 ? 118 SER   B CB   1 ? 2 
ATOM   3437 O OG   . SER   B 1 106 ? -13.702 -3.072  -18.945 1   35.334 ? 118 SER   B OG   1 ? 2 
ATOM   3438 H H    . SER   B 1 106 ? -9.972  -4.381  -17.375 1   34.278 ? 118 SER   B H    1 c 2 
ATOM   3439 H HA   . SER   B 1 106 ? -11.745 -4.555  -19.44  1   36.771 ? 118 SER   B HA   1 c 2 
ATOM   3440 H HB2  . SER   B 1 106 ? -13.178 -4.256  -17.435 1   33.033 ? 118 SER   B HB2  1 c 2 
ATOM   3441 H HB3  . SER   B 1 106 ? -12.579 -2.787  -17.326 1   33.678 ? 118 SER   B HB3  1 c 2 
ATOM   3442 H HG   . SER   B 1 106 ? -14.406 -2.802  -18.558 0   30     ? 118 SER   B HG   1 c 2 
ATOM   3443 N N    . LEU   B 1 107 ? -9.754  -3.143  -20.107 1   36.303 ? 119 LEU   B N    1 ? 2 
ATOM   3444 C CA   . LEU   B 1 107 ? -8.823  -2.143  -20.606 1   38.388 ? 119 LEU   B CA   1 ? 2 
ATOM   3445 C C    . LEU   B 1 107 ? -9.584  -1.142  -21.463 1   46.074 ? 119 LEU   B C    1 ? 2 
ATOM   3446 O O    . LEU   B 1 107 ? -10.543 -1.478  -22.207 1   47.629 ? 119 LEU   B O    1 ? 2 
ATOM   3447 C CB   . LEU   B 1 107 ? -7.695  -2.828  -21.369 1   41.535 ? 119 LEU   B CB   1 ? 2 
ATOM   3448 C CG   . LEU   B 1 107 ? -6.694  -3.615  -20.504 1   40.718 ? 119 LEU   B CG   1 ? 2 
ATOM   3449 C CD1  . LEU   B 1 107 ? -5.735  -4.273  -21.487 1   43.056 ? 119 LEU   B CD1  1 ? 2 
ATOM   3450 C CD2  . LEU   B 1 107 ? -5.921  -2.8    -19.523 1   42.187 ? 119 LEU   B CD2  1 ? 2 
ATOM   3451 H H    . LEU   B 1 107 ? -9.723  -3.992  -20.445 1   37.293 ? 119 LEU   B H    1 c 2 
ATOM   3452 H HA   . LEU   B 1 107 ? -8.444  -1.669  -19.826 1   38.796 ? 119 LEU   B HA   1 c 2 
ATOM   3453 H HB2  . LEU   B 1 107 ? -8.098  -3.449  -22.019 1   42.11  ? 119 LEU   B HB2  1 c 2 
ATOM   3454 H HB3  . LEU   B 1 107 ? -7.201  -2.146  -21.877 1   43.548 ? 119 LEU   B HB3  1 c 2 
ATOM   3455 H HG   . LEU   B 1 107 ? -7.186  -4.324  -20.014 1   39.145 ? 119 LEU   B HG   1 c 2 
ATOM   3456 H HD11 . LEU   B 1 107 ? -6.23   -4.865  -22.077 1   43.593 ? 119 LEU   B HD11 1 c 2 
ATOM   3457 H HD12 . LEU   B 1 107 ? -5.07   -4.787  -20.998 1   42.779 ? 119 LEU   B HD12 1 c 2 
ATOM   3458 H HD13 . LEU   B 1 107 ? -5.29   -3.589  -22.015 1   45.178 ? 119 LEU   B HD13 1 c 2 
ATOM   3459 H HD21 . LEU   B 1 107 ? -6.513  -2.495  -18.815 1   39.768 ? 119 LEU   B HD21 1 c 2 
ATOM   3460 H HD22 . LEU   B 1 107 ? -5.534  -2.03   -19.974 1   43.383 ? 119 LEU   B HD22 1 c 2 
ATOM   3461 H HD23 . LEU   B 1 107 ? -5.211  -3.34   -19.139 1   41.384 ? 119 LEU   B HD23 1 c 2 
ATOM   3462 N N    . PRO   B 1 108 ? -9.042  0.088   -21.585 1   47.017 ? 120 PRO   B N    1 ? 2 
ATOM   3463 C CA   . PRO   B 1 108 ? -7.769  0.487   -20.97  1   46.76  ? 120 PRO   B CA   1 ? 2 
ATOM   3464 C C    . PRO   B 1 108 ? -7.855  0.951   -19.522 1   43.6   ? 120 PRO   B C    1 ? 2 
ATOM   3465 O O    . PRO   B 1 108 ? -6.838  1.003   -18.837 1   47.355 ? 120 PRO   B O    1 ? 2 
ATOM   3466 C CB   . PRO   B 1 108 ? -7.271  1.665   -21.826 1   49.239 ? 120 PRO   B CB   1 ? 2 
ATOM   3467 C CG   . PRO   B 1 108 ? -8.544  2.188   -22.447 1   52.038 ? 120 PRO   B CG   1 ? 2 
ATOM   3468 C CD   . PRO   B 1 108 ? -9.528  1.049   -22.562 1   51.064 ? 120 PRO   B CD   1 ? 2 
ATOM   3469 H HA   . PRO   B 1 108 ? -7.127  -0.245  -21.038 1   46.573 ? 120 PRO   B HA   1 c 2 
ATOM   3470 H HB2  . PRO   B 1 108 ? -6.842  2.347   -21.273 1   50.027 ? 120 PRO   B HB2  1 c 2 
ATOM   3471 H HB3  . PRO   B 1 108 ? -6.644  1.361   -22.511 1   51.808 ? 120 PRO   B HB3  1 c 2 
ATOM   3472 H HG2  . PRO   B 1 108 ? -8.922  2.9     -21.893 1   50.996 ? 120 PRO   B HG2  1 c 2 
ATOM   3473 H HG3  . PRO   B 1 108 ? -8.359  2.559   -23.334 1   54.343 ? 120 PRO   B HG3  1 c 2 
ATOM   3474 H HD2  . PRO   B 1 108 ? -10.434 1.339   -22.342 1   49.65  ? 120 PRO   B HD2  1 c 2 
ATOM   3475 H HD3  . PRO   B 1 108 ? -9.521  0.664   -23.46  1   52.187 ? 120 PRO   B HD3  1 c 2 
ATOM   3476 N N    . LYS   B 1 109 ? -9.043  1.166   -18.98  1   42.707 ? 121 LYS   B N    1 ? 2 
ATOM   3477 C CA   . LYS   B 1 109 ? -9.114  1.674   -17.609 1   40.818 ? 121 LYS   B CA   1 ? 2 
ATOM   3478 C C    . LYS   B 1 109 ? -8.679  0.709   -16.524 1   40.816 ? 121 LYS   B C    1 ? 2 
ATOM   3479 O O    . LYS   B 1 109 ? -8.124  1.126   -15.516 1   43.632 ? 121 LYS   B O    1 ? 2 
ATOM   3480 C CB   . LYS   B 1 109 ? -10.542 2.104   -17.293 1   44.206 ? 121 LYS   B CB   1 ? 2 
ATOM   3481 C CG   . LYS   B 1 109 ? -11.032 3.188   -18.254 1   48.904 ? 121 LYS   B CG   1 ? 2 
ATOM   3482 C CD   . LYS   B 1 109 ? -12.149 4.05    -17.67  1   60.195 ? 121 LYS   B CD   1 ? 2 
ATOM   3483 C CE   . LYS   B 1 109 ? -11.532 5.018   -16.685 1   70.091 ? 121 LYS   B CE   1 ? 2 
ATOM   3484 N NZ   . LYS   B 1 109 ? -11.879 6.411   -17.007 1   73.697 ? 121 LYS   B NZ   1 ? 2 
ATOM   3485 H H    . LYS   B 1 109 ? -9.811  0.996   -19.444 1   42.661 ? 121 LYS   B H    1 c 2 
ATOM   3486 H HA   . LYS   B 1 109 ? -8.538  2.479   -17.553 1   43.341 ? 121 LYS   B HA   1 c 2 
ATOM   3487 H HB2  . LYS   B 1 109 ? -11.139 1.328   -17.357 1   42.482 ? 121 LYS   B HB2  1 c 2 
ATOM   3488 H HB3  . LYS   B 1 109 ? -10.585 2.447   -16.375 1   42.535 ? 121 LYS   B HB3  1 c 2 
ATOM   3489 H HG2  . LYS   B 1 109 ? -10.273 3.762   -18.496 1   52.463 ? 121 LYS   B HG2  1 c 2 
ATOM   3490 H HG3  . LYS   B 1 109 ? -11.356 2.76    -19.074 1   51.548 ? 121 LYS   B HG3  1 c 2 
ATOM   3491 H HD2  . LYS   B 1 109 ? -12.598 4.548   -18.388 1   60.788 ? 121 LYS   B HD2  1 c 2 
ATOM   3492 H HD3  . LYS   B 1 109 ? -12.805 3.482   -17.209 1   57.218 ? 121 LYS   B HD3  1 c 2 
ATOM   3493 H HE2  . LYS   B 1 109 ? -11.853 4.815   -15.789 1   65.587 ? 121 LYS   B HE2  1 c 2 
ATOM   3494 H HE3  . LYS   B 1 109 ? -10.562 4.929   -16.682 1   67.919 ? 121 LYS   B HE3  1 c 2 
ATOM   3495 H HZ1  . LYS   B 1 109 ? -12.78  6.502   -17.044 1   72.911 ? 121 LYS   B HZ1  1 c 2 
ATOM   3496 H HZ2  . LYS   B 1 109 ? -11.522 6.639   -17.808 1   75.217 ? 121 LYS   B HZ2  1 c 2 
ATOM   3497 H HZ3  . LYS   B 1 109 ? -11.551 6.963   -16.367 1   73.28  ? 121 LYS   B HZ3  1 c 2 
ATOM   3498 N N    . ILE   B 1 110 ? -9.068  -0.574  -16.646 1   37.276 ? 122 ILE   B N    1 ? 2 
ATOM   3499 C CA   . ILE   B 1 110 ? -8.877  -1.531  -15.611 1   33.686 ? 122 ILE   B CA   1 ? 2 
ATOM   3500 C C    . ILE   B 1 110 ? -8.006  -2.687  -16.079 1   33.241 ? 122 ILE   B C    1 ? 2 
ATOM   3501 O O    . ILE   B 1 110 ? -8.406  -3.405  -17.012 1   33.219 ? 122 ILE   B O    1 ? 2 
ATOM   3502 C CB   . ILE   B 1 110 ? -10.22  -2.079  -15.112 1   32.492 ? 122 ILE   B CB   1 ? 2 
ATOM   3503 C CG1  . ILE   B 1 110 ? -11.277 -1.046  -14.867 1   35.843 ? 122 ILE   B CG1  1 ? 2 
ATOM   3504 C CG2  . ILE   B 1 110 ? -9.874  -2.888  -13.881 1   30.99  ? 122 ILE   B CG2  1 ? 2 
ATOM   3505 C CD1  . ILE   B 1 110 ? -10.917 -0.1    -13.736 1   41.926 ? 122 ILE   B CD1  1 ? 2 
ATOM   3506 H H    . ILE   B 1 110 ? -9.473  -0.844  -17.419 1   38.121 ? 122 ILE   B H    1 c 2 
ATOM   3507 H HA   . ILE   B 1 110 ? -8.434  -1.088  -14.865 1   33.767 ? 122 ILE   B HA   1 c 2 
ATOM   3508 H HB   . ILE   B 1 110 ? -10.561 -2.695  -15.79  1   33.385 ? 122 ILE   B HB   1 c 2 
ATOM   3509 H HG12 . ILE   B 1 110 ? -11.417 -0.529  -15.686 1   37.674 ? 122 ILE   B HG12 1 c 2 
ATOM   3510 H HG13 . ILE   B 1 110 ? -12.117 -1.499  -14.647 1   35.221 ? 122 ILE   B HG13 1 c 2 
ATOM   3511 H HG21 . ILE   B 1 110 ? -10.666 -2.989  -13.326 1   29.66  ? 122 ILE   B HG21 1 c 2 
ATOM   3512 H HG22 . ILE   B 1 110 ? -9.182  -2.435  -13.37  1   31.019 ? 122 ILE   B HG22 1 c 2 
ATOM   3513 H HG23 . ILE   B 1 110 ? -9.556  -3.767  -14.145 1   31.042 ? 122 ILE   B HG23 1 c 2 
ATOM   3514 H HD11 . ILE   B 1 110 ? -10.94  -0.576  -12.885 1   38.287 ? 122 ILE   B HD11 1 c 2 
ATOM   3515 H HD12 . ILE   B 1 110 ? -11.565 0.628   -13.715 1   39.854 ? 122 ILE   B HD12 1 c 2 
ATOM   3516 H HD13 . ILE   B 1 110 ? -10.025 0.268   -13.877 1   40.693 ? 122 ILE   B HD13 1 c 2 
ATOM   3517 N N    . PRO   B 1 111 ? -6.838  -2.906  -15.435 1   36.118 ? 123 PRO   B N    1 ? 2 
ATOM   3518 C CA   . PRO   B 1 111 ? -5.968  -4.016  -15.802 1   36.047 ? 123 PRO   B CA   1 ? 2 
ATOM   3519 C C    . PRO   B 1 111 ? -6.492  -5.333  -15.264 1   32.643 ? 123 PRO   B C    1 ? 2 
ATOM   3520 O O    . PRO   B 1 111 ? -7.383  -5.338  -14.406 1   31.697 ? 123 PRO   B O    1 ? 2 
ATOM   3521 C CB   . PRO   B 1 111 ? -4.574  -3.497  -15.357 1   40.826 ? 123 PRO   B CB   1 ? 2 
ATOM   3522 C CG   . PRO   B 1 111 ? -4.916  -2.698  -14.125 1   42.97  ? 123 PRO   B CG   1 ? 2 
ATOM   3523 C CD   . PRO   B 1 111 ? -6.217  -2.016  -14.419 1   38.165 ? 123 PRO   B CD   1 ? 2 
ATOM   3524 H HA   . PRO   B 1 111 ? -5.95   -4.08   -16.78  1   37.933 ? 123 PRO   B HA   1 c 2 
ATOM   3525 H HB2  . PRO   B 1 111 ? -3.973  -4.237  -15.143 1   41.034 ? 123 PRO   B HB2  1 c 2 
ATOM   3526 H HB3  . PRO   B 1 111 ? -4.171  -2.933  -16.045 1   42.671 ? 123 PRO   B HB3  1 c 2 
ATOM   3527 H HG2  . PRO   B 1 111 ? -5.007  -3.285  -13.348 1   39.718 ? 123 PRO   B HG2  1 c 2 
ATOM   3528 H HG3  . PRO   B 1 111 ? -4.22   -2.037  -13.938 1   42.228 ? 123 PRO   B HG3  1 c 2 
ATOM   3529 H HD2  . PRO   B 1 111 ? -6.776  -1.959  -13.619 1   36.83  ? 123 PRO   B HD2  1 c 2 
ATOM   3530 H HD3  . PRO   B 1 111 ? -6.076  -1.12   -14.781 1   39.708 ? 123 PRO   B HD3  1 c 2 
ATOM   3531 N N    . SER   B 1 112 ? -5.848  -6.423  -15.697 1   34.927 ? 124 SER   B N    1 ? 2 
ATOM   3532 C CA   . SER   B 1 112 ? -6.157  -7.745  -15.181 1   30.591 ? 124 SER   B CA   1 ? 2 
ATOM   3533 C C    . SER   B 1 112 ? -5.926  -7.777  -13.664 1   29.713 ? 124 SER   B C    1 ? 2 
ATOM   3534 O O    . SER   B 1 112 ? -4.885  -7.31   -13.226 1   33.333 ? 124 SER   B O    1 ? 2 
ATOM   3535 C CB   . SER   B 1 112 ? -5.304  -8.79   -15.907 1   35.286 ? 124 SER   B CB   1 ? 2 
ATOM   3536 O OG   . SER   B 1 112 ? -5.441  -10.068 -15.27  1   31.627 ? 124 SER   B OG   1 ? 2 
ATOM   3537 H H    . SER   B 1 112 ? -5.197  -6.337  -16.333 1   35.586 ? 124 SER   B H    1 c 2 
ATOM   3538 H HA   . SER   B 1 112 ? -7.113  -7.935  -15.36  1   31.042 ? 124 SER   B HA   1 c 2 
ATOM   3539 H HB2  . SER   B 1 112 ? -5.593  -8.855  -16.835 1   34.992 ? 124 SER   B HB2  1 c 2 
ATOM   3540 H HB3  . SER   B 1 112 ? -4.367  -8.515  -15.892 1   35.079 ? 124 SER   B HB3  1 c 2 
ATOM   3541 H HG   . SER   B 1 112 ? -4.969  -10.627 -15.696 0   30     ? 124 SER   B HG   1 c 2 
ATOM   3542 N N    . ASN   B 1 113 ? -6.816  -8.428  -12.935 1   27.692 ? 125 ASN   B N    1 ? 2 
ATOM   3543 C CA   . ASN   B 1 113 ? -6.56   -8.756  -11.531 1   31.545 ? 125 ASN   B CA   1 ? 2 
ATOM   3544 C C    . ASN   B 1 113 ? -6.417  -7.488  -10.657 1   30.289 ? 125 ASN   B C    1 ? 2 
ATOM   3545 O O    . ASN   B 1 113 ? -5.564  -7.482  -9.734  1   32.334 ? 125 ASN   B O    1 ? 2 
ATOM   3546 C CB   . ASN   B 1 113 ? -5.336  -9.673  -11.403 1   33.052 ? 125 ASN   B CB   1 ? 2 
ATOM   3547 C CG   . ASN   B 1 113 ? -5.652  -11.079 -11.913 1   33.943 ? 125 ASN   B CG   1 ? 2 
ATOM   3548 O OD1  . ASN   B 1 113 ? -4.766  -11.809 -12.289 1   45.289 ? 125 ASN   B OD1  1 ? 2 
ATOM   3549 N ND2  . ASN   B 1 113 ? -6.906  -11.468 -11.881 1   37.361 ? 125 ASN   B ND2  1 ? 2 
ATOM   3550 H H    . ASN   B 1 113 ? -7.61   -8.681  -13.31  1   28.437 ? 125 ASN   B H    1 c 2 
ATOM   3551 H HA   . ASN   B 1 113 ? -7.337  -9.251  -11.195 1   29.486 ? 125 ASN   B HA   1 c 2 
ATOM   3552 H HB2  . ASN   B 1 113 ? -4.589  -9.303  -11.912 1   34.37  ? 125 ASN   B HB2  1 c 2 
ATOM   3553 H HB3  . ASN   B 1 113 ? -5.067  -9.727  -10.464 1   32.621 ? 125 ASN   B HB3  1 c 2 
ATOM   3554 H HD21 . ASN   B 1 113 ? -7.165  -12.127 -12.407 1   36.357 ? 125 ASN   B HD21 1 c 2 
ATOM   3555 H HD22 . ASN   B 1 113 ? -7.482  -11.118 -11.307 1   34.55  ? 125 ASN   B HD22 1 c 2 
ATOM   3556 N N    . ALA   B 1 114 ? -7.181  -6.453  -10.957 1   26.967 ? 126 ALA   B N    1 ? 2 
ATOM   3557 C CA   . ALA   B 1 114 ? -7.103  -5.178  -10.267 1   31.93  ? 126 ALA   B CA   1 ? 2 
ATOM   3558 C C    . ALA   B 1 114 ? -7.988  -5.182  -8.993  1   31.239 ? 126 ALA   B C    1 ? 2 
ATOM   3559 O O    . ALA   B 1 114 ? -9.156  -5.562  -9.015  1   28.484 ? 126 ALA   B O    1 ? 2 
ATOM   3560 C CB   . ALA   B 1 114 ? -7.521  -4.077  -11.164 1   32.034 ? 126 ALA   B CB   1 ? 2 
ATOM   3561 H H    . ALA   B 1 114 ? -7.797  -6.543  -11.627 1   28.758 ? 126 ALA   B H    1 c 2 
ATOM   3562 H HA   . ALA   B 1 114 ? -6.156  -5.029  -9.993  1   31.751 ? 126 ALA   B HA   1 c 2 
ATOM   3563 H HB1  . ALA   B 1 114 ? -6.949  -4.06   -11.95  1   33.569 ? 126 ALA   B HB1  1 c 2 
ATOM   3564 H HB2  . ALA   B 1 114 ? -8.443  -4.213  -11.441 1   31.592 ? 126 ALA   B HB2  1 c 2 
ATOM   3565 H HB3  . ALA   B 1 114 ? -7.448  -3.228  -10.696 1   32.223 ? 126 ALA   B HB3  1 c 2 
ATOM   3566 N N    . THR   B 1 115 ? -7.367  -4.748  -7.883  1   28.755 ? 127 THR   B N    1 ? 2 
ATOM   3567 C CA   . THR   B 1 115 ? -8.081  -4.298  -6.693  1   25.843 ? 127 THR   B CA   1 ? 2 
ATOM   3568 C C    . THR   B 1 115 ? -8.512  -2.825  -6.816  1   25.433 ? 127 THR   B C    1 ? 2 
ATOM   3569 O O    . THR   B 1 115 ? -7.73   -1.948  -7.182  1   29.703 ? 127 THR   B O    1 ? 2 
ATOM   3570 C CB   . THR   B 1 115 ? -7.133  -4.517  -5.521  1   30.843 ? 127 THR   B CB   1 ? 2 
ATOM   3571 O OG1  . THR   B 1 115 ? -7.038  -5.952  -5.419  1   30.055 ? 127 THR   B OG1  1 ? 2 
ATOM   3572 C CG2  . THR   B 1 115 ? -7.762  -4.026  -4.204  1   32.54  ? 127 THR   B CG2  1 ? 2 
ATOM   3573 H H    . THR   B 1 115 ? -6.453  -4.735  -7.871  1   29.881 ? 127 THR   B H    1 c 2 
ATOM   3574 H HA   . THR   B 1 115 ? -8.874  -4.861  -6.57   1   26.033 ? 127 THR   B HA   1 c 2 
ATOM   3575 H HB   . THR   B 1 115 ? -6.244  -4.118  -5.68   1   31.382 ? 127 THR   B HB   1 c 2 
ATOM   3576 H HG1  . THR   B 1 115 ? -7.81   -6.313  -5.311  0   30     ? 127 THR   B HG1  1 c 2 
ATOM   3577 H HG21 . THR   B 1 115 ? -7.138  -4.172  -3.473  1   32.239 ? 127 THR   B HG21 1 c 2 
ATOM   3578 H HG22 . THR   B 1 115 ? -8.581  -4.52   -4.032  1   30.88  ? 127 THR   B HG22 1 c 2 
ATOM   3579 H HG23 . THR   B 1 115 ? -7.965  -3.079  -4.269  1   31.929 ? 127 THR   B HG23 1 c 2 
ATOM   3580 N N    . LEU   B 1 116 ? -9.764  -2.59   -6.428  1   26.718 ? 128 LEU   B N    1 ? 2 
ATOM   3581 C CA   . LEU   B 1 116 ? -10.437 -1.277  -6.567  1   26.863 ? 128 LEU   B CA   1 ? 2 
ATOM   3582 C C    . LEU   B 1 116 ? -10.78  -0.712  -5.186  1   28.258 ? 128 LEU   B C    1 ? 2 
ATOM   3583 O O    . LEU   B 1 116 ? -11.169 -1.475  -4.297  1   25.449 ? 128 LEU   B O    1 ? 2 
ATOM   3584 C CB   . LEU   B 1 116 ? -11.728 -1.295  -7.412  1   27.657 ? 128 LEU   B CB   1 ? 2 
ATOM   3585 C CG   . LEU   B 1 116 ? -11.663 -1.94   -8.818  1   35.368 ? 128 LEU   B CG   1 ? 2 
ATOM   3586 C CD1  . LEU   B 1 116 ? -12.932 -1.607  -9.553  1   32.719 ? 128 LEU   B CD1  1 ? 2 
ATOM   3587 C CD2  . LEU   B 1 116 ? -10.414 -1.563  -9.552  1   32.177 ? 128 LEU   B CD2  1 ? 2 
ATOM   3588 H H    . LEU   B 1 116 ? -10.237 -3.274  -6.05   1   25.331 ? 128 LEU   B H    1 c 2 
ATOM   3589 H HA   . LEU   B 1 116 ? -9.795  -0.655  -6.993  1   28.448 ? 128 LEU   B HA   1 c 2 
ATOM   3590 H HB2  . LEU   B 1 116 ? -12.423 -1.763  -6.894  1   27.989 ? 128 LEU   B HB2  1 c 2 
ATOM   3591 H HB3  . LEU   B 1 116 ? -12.034 -0.364  -7.516  1   29.34  ? 128 LEU   B HB3  1 c 2 
ATOM   3592 H HG   . LEU   B 1 116 ? -11.645 -2.924  -8.696  1   31.962 ? 128 LEU   B HG   1 c 2 
ATOM   3593 H HD11 . LEU   B 1 116 ? -13.698 -1.878  -9.019  1   32.721 ? 128 LEU   B HD11 1 c 2 
ATOM   3594 H HD12 . LEU   B 1 116 ? -12.948 -2.079  -10.402 1   33.843 ? 128 LEU   B HD12 1 c 2 
ATOM   3595 H HD13 . LEU   B 1 116 ? -12.974 -0.65   -9.714  1   34.189 ? 128 LEU   B HD13 1 c 2 
ATOM   3596 H HD21 . LEU   B 1 116 ? -9.679  -2.123  -9.253  1   33.415 ? 128 LEU   B HD21 1 c 2 
ATOM   3597 H HD22 . LEU   B 1 116 ? -10.202 -0.631  -9.376  1   34.062 ? 128 LEU   B HD22 1 c 2 
ATOM   3598 H HD23 . LEU   B 1 116 ? -10.547 -1.689  -10.507 1   34.116 ? 128 LEU   B HD23 1 c 2 
ATOM   3599 N N    . PHE   B 1 117 ? -10.769 0.622   -5.106  1   26.523 ? 129 PHE   B N    1 ? 2 
ATOM   3600 C CA   . PHE   B 1 117 ? -11.193 1.358   -3.905  1   25.828 ? 129 PHE   B CA   1 ? 2 
ATOM   3601 C C    . PHE   B 1 117 ? -12.24  2.377   -4.317  1   26.419 ? 129 PHE   B C    1 ? 2 
ATOM   3602 O O    . PHE   B 1 117 ? -12.077 3.086   -5.36   1   28.577 ? 129 PHE   B O    1 ? 2 
ATOM   3603 C CB   . PHE   B 1 117 ? -10.031 2.122   -3.305  1   26.553 ? 129 PHE   B CB   1 ? 2 
ATOM   3604 C CG   . PHE   B 1 117 ? -10.389 3.071   -2.166  1   28.922 ? 129 PHE   B CG   1 ? 2 
ATOM   3605 C CD1  . PHE   B 1 117 ? -10.788 4.367   -2.408  1   32.815 ? 129 PHE   B CD1  1 ? 2 
ATOM   3606 C CD2  . PHE   B 1 117 ? -10.528 2.566   -0.874  1   30.711 ? 129 PHE   B CD2  1 ? 2 
ATOM   3607 C CE1  . PHE   B 1 117 ? -11.214 5.175   -1.342  1   33.999 ? 129 PHE   B CE1  1 ? 2 
ATOM   3608 C CE2  . PHE   B 1 117 ? -10.953 3.373   0.171   1   29.725 ? 129 PHE   B CE2  1 ? 2 
ATOM   3609 C CZ   . PHE   B 1 117 ? -11.215 4.69    -0.053  1   29.715 ? 129 PHE   B CZ   1 ? 2 
ATOM   3610 H H    . PHE   B 1 117 ? -10.486 1.104   -5.829  1   27.806 ? 129 PHE   B H    1 c 2 
ATOM   3611 H HA   . PHE   B 1 117 ? -11.568 0.73    -3.236  1   25.136 ? 129 PHE   B HA   1 c 2 
ATOM   3612 H HB2  . PHE   B 1 117 ? -9.372  1.471   -2.976  1   26.986 ? 129 PHE   B HB2  1 c 2 
ATOM   3613 H HB3  . PHE   B 1 117 ? -9.6    2.639   -4.021  1   28.063 ? 129 PHE   B HB3  1 c 2 
ATOM   3614 H HD1  . PHE   B 1 117 ? -10.739 4.721   -3.282  1   32.754 ? 129 PHE   B HD1  1 c 2 
ATOM   3615 H HD2  . PHE   B 1 117 ? -10.298 1.667   -0.703  1   29.111 ? 129 PHE   B HD2  1 c 2 
ATOM   3616 H HE1  . PHE   B 1 117 ? -11.412 6.084   -1.499  1   33.904 ? 129 PHE   B HE1  1 c 2 
ATOM   3617 H HE2  . PHE   B 1 117 ? -10.966 3.033   1.051   1   29.705 ? 129 PHE   B HE2  1 c 2 
ATOM   3618 H HZ   . PHE   B 1 117 ? -11.521 5.236   0.654   1   31.483 ? 129 PHE   B HZ   1 c 2 
ATOM   3619 N N    . PHE   B 1 118 ? -13.329 2.427   -3.548  1   29.001 ? 130 PHE   B N    1 ? 2 
ATOM   3620 C CA   . PHE   B 1 118 ? -14.278 3.535   -3.731  1   30.75  ? 130 PHE   B CA   1 ? 2 
ATOM   3621 C C    . PHE   B 1 118 ? -14.663 4.185   -2.417  1   29.936 ? 130 PHE   B C    1 ? 2 
ATOM   3622 O O    . PHE   B 1 118 ? -14.728 3.517   -1.403  1   29.342 ? 130 PHE   B O    1 ? 2 
ATOM   3623 C CB   . PHE   B 1 118 ? -15.566 2.999   -4.351  1   27.288 ? 130 PHE   B CB   1 ? 2 
ATOM   3624 C CG   . PHE   B 1 118 ? -15.475 2.423   -5.752  1   25.687 ? 130 PHE   B CG   1 ? 2 
ATOM   3625 C CD1  . PHE   B 1 118 ? -15.067 1.092   -5.902  1   27.075 ? 130 PHE   B CD1  1 ? 2 
ATOM   3626 C CD2  . PHE   B 1 118 ? -15.797 3.207   -6.88   1   27.112 ? 130 PHE   B CD2  1 ? 2 
ATOM   3627 C CE1  . PHE   B 1 118 ? -15.027 0.533   -7.157  1   26.676 ? 130 PHE   B CE1  1 ? 2 
ATOM   3628 C CE2  . PHE   B 1 118 ? -15.79  2.611   -8.128  1   29.594 ? 130 PHE   B CE2  1 ? 2 
ATOM   3629 C CZ   . PHE   B 1 118 ? -15.348 1.311   -8.269  1   27.473 ? 130 PHE   B CZ   1 ? 2 
ATOM   3630 H H    . PHE   B 1 118 ? -13.492 1.787   -2.916  1   27.645 ? 130 PHE   B H    1 c 2 
ATOM   3631 H HA   . PHE   B 1 118 ? -13.881 4.215   -4.333  1   30.769 ? 130 PHE   B HA   1 c 2 
ATOM   3632 H HB2  . PHE   B 1 118 ? -15.922 2.304   -3.755  1   26.741 ? 130 PHE   B HB2  1 c 2 
ATOM   3633 H HB3  . PHE   B 1 118 ? -16.224 3.729   -4.361  1   28.226 ? 130 PHE   B HB3  1 c 2 
ATOM   3634 H HD1  . PHE   B 1 118 ? -14.85  0.576   -5.142  1   25.751 ? 130 PHE   B HD1  1 c 2 
ATOM   3635 H HD2  . PHE   B 1 118 ? -16.104 4.093   -6.773  1   28.476 ? 130 PHE   B HD2  1 c 2 
ATOM   3636 H HE1  . PHE   B 1 118 ? -14.743 -0.36   -7.268  1   26.206 ? 130 PHE   B HE1  1 c 2 
ATOM   3637 H HE2  . PHE   B 1 118 ? -15.986 3.126   -8.895  1   29.805 ? 130 PHE   B HE2  1 c 2 
ATOM   3638 H HZ   . PHE   B 1 118 ? -15.313 0.925   -9.129  1   28.122 ? 130 PHE   B HZ   1 c 2 
ATOM   3639 N N    . GLU   B 1 119 ? -14.959 5.488   -2.474  1   30.663 ? 131 GLU   B N    1 ? 2 
ATOM   3640 C CA   . GLU   B 1 119 ? -15.801 6.135   -1.49   1   30.246 ? 131 GLU   B CA   1 ? 2 
ATOM   3641 C C    . GLU   B 1 119 ? -17.13  6.394   -2.209  1   33.538 ? 131 GLU   B C    1 ? 2 
ATOM   3642 O O    . GLU   B 1 119 ? -17.147 6.963   -3.336  1   33.686 ? 131 GLU   B O    1 ? 2 
ATOM   3643 C CB   . GLU   B 1 119 ? -15.151 7.438   -1.058  1   33.336 ? 131 GLU   B CB   1 ? 2 
ATOM   3644 C CG   . GLU   B 1 119 ? -15.912 8.287   -0.063  1   34.161 ? 131 GLU   B CG   1 ? 2 
ATOM   3645 C CD   . GLU   B 1 119 ? -15.13  9.47    0.518   1   34.72  ? 131 GLU   B CD   1 ? 2 
ATOM   3646 O OE1  . GLU   B 1 119 ? -14.369 9.413   1.483   1   37.75  ? 131 GLU   B OE1  1 ? 2 
ATOM   3647 O OE2  . GLU   B 1 119 ? -15.373 10.556  -0.062  1   38.481 ? 131 GLU   B OE2  1 ? 2 
ATOM   3648 H H    . GLU   B 1 119 ? -14.617 5.992   -3.156  1   31.401 ? 131 GLU   B H    1 c 2 
ATOM   3649 H HA   . GLU   B 1 119 ? -15.937 5.53    -0.721  1   30.478 ? 131 GLU   B HA   1 c 2 
ATOM   3650 H HB2  . GLU   B 1 119 ? -14.278 7.229   -0.665  1   32.926 ? 131 GLU   B HB2  1 c 2 
ATOM   3651 H HB3  . GLU   B 1 119 ? -14.99  7.982   -1.857  1   33.785 ? 131 GLU   B HB3  1 c 2 
ATOM   3652 H HG2  . GLU   B 1 119 ? -16.719 8.635   -0.497  1   34.304 ? 131 GLU   B HG2  1 c 2 
ATOM   3653 H HG3  . GLU   B 1 119 ? -16.204 7.717   0.68    1   33.174 ? 131 GLU   B HG3  1 c 2 
ATOM   3654 N N    . ILE   B 1 120 ? -18.211 6.018   -1.525  1   30.415 ? 132 ILE   B N    1 ? 2 
ATOM   3655 C CA   . ILE   B 1 120 ? -19.546 6.126   -2.061  1   31.878 ? 132 ILE   B CA   1 ? 2 
ATOM   3656 C C    . ILE   B 1 120 ? -20.426 6.877   -1.064  1   35.578 ? 132 ILE   B C    1 ? 2 
ATOM   3657 O O    . ILE   B 1 120 ? -20.472 6.498   0.122   1   31.603 ? 132 ILE   B O    1 ? 2 
ATOM   3658 C CB   . ILE   B 1 120 ? -20.154 4.714   -2.319  1   29.762 ? 132 ILE   B CB   1 ? 2 
ATOM   3659 C CG1  . ILE   B 1 120 ? -19.286 3.915   -3.294  1   27.093 ? 132 ILE   B CG1  1 ? 2 
ATOM   3660 C CG2  . ILE   B 1 120 ? -21.583 4.905   -2.859  1   31.596 ? 132 ILE   B CG2  1 ? 2 
ATOM   3661 C CD1  . ILE   B 1 120 ? -19.613 2.426   -3.354  1   30.425 ? 132 ILE   B CD1  1 ? 2 
ATOM   3662 H H    . ILE   B 1 120 ? -18.108 5.679   -0.683  1   30.902 ? 132 ILE   B H    1 c 2 
ATOM   3663 H HA   . ILE   B 1 120 ? -19.517 6.619   -2.903  1   32.671 ? 132 ILE   B HA   1 c 2 
ATOM   3664 H HB   . ILE   B 1 120 ? -20.198 4.231   -1.47   1   29.253 ? 132 ILE   B HB   1 c 2 
ATOM   3665 H HG12 . ILE   B 1 120 ? -19.391 4.295   -4.19   1   29.035 ? 132 ILE   B HG12 1 c 2 
ATOM   3666 H HG13 . ILE   B 1 120 ? -18.347 4.016   -3.037  1   28.25  ? 132 ILE   B HG13 1 c 2 
ATOM   3667 H HG21 . ILE   B 1 120 ? -21.856 4.112   -3.349  1   30.774 ? 132 ILE   B HG21 1 c 2 
ATOM   3668 H HG22 . ILE   B 1 120 ? -21.607 5.674   -3.454  1   32.321 ? 132 ILE   B HG22 1 c 2 
ATOM   3669 H HG23 . ILE   B 1 120 ? -22.195 5.051   -2.119  1   31.858 ? 132 ILE   B HG23 1 c 2 
ATOM   3670 H HD11 . ILE   B 1 120 ? -19.592 2.05    -2.454  1   28.583 ? 132 ILE   B HD11 1 c 2 
ATOM   3671 H HD12 . ILE   B 1 120 ? -18.953 1.97    -3.91   1   28.466 ? 132 ILE   B HD12 1 c 2 
ATOM   3672 H HD13 . ILE   B 1 120 ? -20.501 2.298   -3.737  1   29.326 ? 132 ILE   B HD13 1 c 2 
ATOM   3673 N N    . GLU   B 1 121 ? -21.109 7.904   -1.557  1   35.221 ? 133 GLU   B N    1 ? 2 
ATOM   3674 C CA   . GLU   B 1 121 ? -22.218 8.447   -0.777  1   33.692 ? 133 GLU   B CA   1 ? 2 
ATOM   3675 C C    . GLU   B 1 121 ? -23.56  8.05    -1.379  1   32.138 ? 133 GLU   B C    1 ? 2 
ATOM   3676 O O    . GLU   B 1 121 ? -23.836 8.326   -2.581  1   40.211 ? 133 GLU   B O    1 ? 2 
ATOM   3677 C CB   . GLU   B 1 121 ? -22.107 9.968   -0.708  1   35.075 ? 133 GLU   B CB   1 ? 2 
ATOM   3678 C CG   . GLU   B 1 121 ? -23.166 10.658  0.128   1   39.583 ? 133 GLU   B CG   1 ? 2 
ATOM   3679 C CD   . GLU   B 1 121 ? -23.153 12.189  0.217   1   42.577 ? 133 GLU   B CD   1 ? 2 
ATOM   3680 O OE1  . GLU   B 1 121 ? -22.116 12.782  -0.136  1   45.136 ? 133 GLU   B OE1  1 ? 2 
ATOM   3681 O OE2  . GLU   B 1 121 ? -24.15  12.809  0.636   1   40.204 ? 133 GLU   B OE2  1 ? 2 
ATOM   3682 H H    . GLU   B 1 121 ? -20.895 8.272   -2.366  1   35.44  ? 133 GLU   B H    1 c 2 
ATOM   3683 H HA   . GLU   B 1 121 ? -22.16  8.09    0.143   1   33.326 ? 133 GLU   B HA   1 c 2 
ATOM   3684 H HB2  . GLU   B 1 121 ? -21.226 10.201  -0.35   1   35.809 ? 133 GLU   B HB2  1 c 2 
ATOM   3685 H HB3  . GLU   B 1 121 ? -22.159 10.324  -1.619  1   36.437 ? 133 GLU   B HB3  1 c 2 
ATOM   3686 H HG2  . GLU   B 1 121 ? -24.046 10.391  -0.212  1   39.194 ? 133 GLU   B HG2  1 c 2 
ATOM   3687 H HG3  . GLU   B 1 121 ? -23.107 10.307  1.042   1   38.601 ? 133 GLU   B HG3  1 c 2 
ATOM   3688 N N    . LEU   B 1 122 ? -24.382 7.44    -0.56   1   35.219 ? 134 LEU   B N    1 ? 2 
ATOM   3689 C CA   . LEU   B 1 122 ? -25.746 7.067   -0.971  1   38.033 ? 134 LEU   B CA   1 ? 2 
ATOM   3690 C C    . LEU   B 1 122 ? -26.685 8.268   -0.865  1   38.193 ? 134 LEU   B C    1 ? 2 
ATOM   3691 O O    . LEU   B 1 122 ? -27.027 8.719   0.234   1   40.523 ? 134 LEU   B O    1 ? 2 
ATOM   3692 C CB   . LEU   B 1 122 ? -26.29  5.878   -0.173  1   37.279 ? 134 LEU   B CB   1 ? 2 
ATOM   3693 C CG   . LEU   B 1 122 ? -27.666 5.353   -0.603  1   35.415 ? 134 LEU   B CG   1 ? 2 
ATOM   3694 C CD1  . LEU   B 1 122 ? -27.696 5.037   -2.096  1   34.799 ? 134 LEU   B CD1  1 ? 2 
ATOM   3695 C CD2  . LEU   B 1 122 ? -27.891 4.098   0.184   1   38.734 ? 134 LEU   B CD2  1 ? 2 
ATOM   3696 H H    . LEU   B 1 122 ? -24.109 7.239   0.289   1   34.454 ? 134 LEU   B H    1 c 2 
ATOM   3697 H HA   . LEU   B 1 122 ? -25.704 6.805   -1.925  1   36.719 ? 134 LEU   B HA   1 c 2 
ATOM   3698 H HB2  . LEU   B 1 122 ? -25.64  5.14    -0.242  1   35.098 ? 134 LEU   B HB2  1 c 2 
ATOM   3699 H HB3  . LEU   B 1 122 ? -26.34  6.142   0.774   1   37.157 ? 134 LEU   B HB3  1 c 2 
ATOM   3700 H HG   . LEU   B 1 122 ? -28.363 6.023   -0.38   1   38.26  ? 134 LEU   B HG   1 c 2 
ATOM   3701 H HD11 . LEU   B 1 122 ? -27.783 5.863   -2.602  1   35.922 ? 134 LEU   B HD11 1 c 2 
ATOM   3702 H HD12 . LEU   B 1 122 ? -28.452 4.458   -2.291  1   35.436 ? 134 LEU   B HD12 1 c 2 
ATOM   3703 H HD13 . LEU   B 1 122 ? -26.872 4.588   -2.35   1   33.434 ? 134 LEU   B HD13 1 c 2 
ATOM   3704 H HD21 . LEU   B 1 122 ? -27.703 4.261   1.121   1   37.606 ? 134 LEU   B HD21 1 c 2 
ATOM   3705 H HD22 . LEU   B 1 122 ? -27.302 3.398   -0.146  1   35.989 ? 134 LEU   B HD22 1 c 2 
ATOM   3706 H HD23 . LEU   B 1 122 ? -28.816 3.814   0.085   1   38.488 ? 134 LEU   B HD23 1 c 2 
ATOM   3707 N N    . LEU   B 1 123 ? -27.097 8.845   -2.006  1   39.755 ? 135 LEU   B N    1 ? 2 
ATOM   3708 C CA   . LEU   B 1 123 ? -27.915 10.066  -1.948  1   44.686 ? 135 LEU   B CA   1 ? 2 
ATOM   3709 C C    . LEU   B 1 123 ? -29.392 9.706   -1.754  1   46.76  ? 135 LEU   B C    1 ? 2 
ATOM   3710 O O    . LEU   B 1 123 ? -30.092 10.296  -0.901  1   54.807 ? 135 LEU   B O    1 ? 2 
ATOM   3711 C CB   . LEU   B 1 123 ? -27.728 10.873  -3.224  1   45.988 ? 135 LEU   B CB   1 ? 2 
ATOM   3712 C CG   . LEU   B 1 123 ? -26.291 11.274  -3.515  1   42.376 ? 135 LEU   B CG   1 ? 2 
ATOM   3713 C CD1  . LEU   B 1 123 ? -26.137 11.718  -4.978  1   45.413 ? 135 LEU   B CD1  1 ? 2 
ATOM   3714 C CD2  . LEU   B 1 123 ? -25.97  12.378  -2.538  1   48.21  ? 135 LEU   B CD2  1 ? 2 
ATOM   3715 H H    . LEU   B 1 123 ? -26.876 8.486   -2.817  1   39.484 ? 135 LEU   B H    1 c 2 
ATOM   3716 H HA   . LEU   B 1 123 ? -27.62  10.609  -1.174  1   44.839 ? 135 LEU   B HA   1 c 2 
ATOM   3717 H HB2  . LEU   B 1 123 ? -28.064 10.338  -3.98   1   45.074 ? 135 LEU   B HB2  1 c 2 
ATOM   3718 H HB3  . LEU   B 1 123 ? -28.278 11.688  -3.161  1   47.396 ? 135 LEU   B HB3  1 c 2 
ATOM   3719 H HG   . LEU   B 1 123 ? -25.696 10.5    -3.342  1   42.034 ? 135 LEU   B HG   1 c 2 
ATOM   3720 H HD11 . LEU   B 1 123 ? -26.489 11.028  -5.564  1   44.316 ? 135 LEU   B HD11 1 c 2 
ATOM   3721 H HD12 . LEU   B 1 123 ? -25.197 11.861  -5.177  1   44.26  ? 135 LEU   B HD12 1 c 2 
ATOM   3722 H HD13 . LEU   B 1 123 ? -26.628 12.545  -5.121  1   46.917 ? 135 LEU   B HD13 1 c 2 
ATOM   3723 H HD21 . LEU   B 1 123 ? -25.963 12.024  -1.634  1   46.061 ? 135 LEU   B HD21 1 c 2 
ATOM   3724 H HD22 . LEU   B 1 123 ? -26.64  13.078  -2.608  1   48.798 ? 135 LEU   B HD22 1 c 2 
ATOM   3725 H HD23 . LEU   B 1 123 ? -25.095 12.748  -2.745  1   46.675 ? 135 LEU   B HD23 1 c 2 
ATOM   3726 N N    . ASP   B 1 124 ? -29.866 8.691   -2.509  1   47.809 ? 136 ASP   B N    1 ? 2 
ATOM   3727 C CA   . ASP   B 1 124 ? -31.278 8.321   -2.465  1   50.274 ? 136 ASP   B CA   1 ? 2 
ATOM   3728 C C    . ASP   B 1 124 ? -31.465 6.982   -3.198  1   48.377 ? 136 ASP   B C    1 ? 2 
ATOM   3729 O O    . ASP   B 1 124 ? -30.63  6.599   -3.986  1   45.647 ? 136 ASP   B O    1 ? 2 
ATOM   3730 C CB   . ASP   B 1 124 ? -32.111 9.453   -3.06   1   55.02  ? 136 ASP   B CB   1 ? 2 
ATOM   3731 C CG   . ASP   B 1 124 ? -33.6   9.485   -2.741  1   60.267 ? 136 ASP   B CG   1 ? 2 
ATOM   3732 O OD1  . ASP   B 1 124 ? -34.045 8.694   -1.866  1   57.089 ? 136 ASP   B OD1  1 ? 2 
ATOM   3733 O OD2  . ASP   B 1 124 ? -34.281 10.322  -3.369  1   68.251 ? 136 ASP   B OD2  1 ? 2 
ATOM   3734 H H    . ASP   B 1 124 ? -29.302 8.23    -3.062  1   46.098 ? 136 ASP   B H    1 c 2 
ATOM   3735 H HA   . ASP   B 1 124 ? -31.538 8.202   -1.523  1   50.565 ? 136 ASP   B HA   1 c 2 
ATOM   3736 H HB2  . ASP   B 1 124 ? -31.739 10.313  -2.779  1   55.706 ? 136 ASP   B HB2  1 c 2 
ATOM   3737 H HB3  . ASP   B 1 124 ? -32.024 9.405   -4.035  1   55.144 ? 136 ASP   B HB3  1 c 2 
ATOM   3738 N N    . PHE   B 1 125 ? -32.587 6.298   -2.956  1   47.874 ? 137 PHE   B N    1 ? 2 
ATOM   3739 C CA   . PHE   B 1 125 ? -33.008 5.142   -3.733  1   48.075 ? 137 PHE   B CA   1 ? 2 
ATOM   3740 C C    . PHE   B 1 125 ? -34.525 5.064   -3.745  1   51.716 ? 137 PHE   B C    1 ? 2 
ATOM   3741 O O    . PHE   B 1 125 ? -35.191 5.636   -2.888  1   54.931 ? 137 PHE   B O    1 ? 2 
ATOM   3742 C CB   . PHE   B 1 125 ? -32.446 3.827   -3.191  1   44.782 ? 137 PHE   B CB   1 ? 2 
ATOM   3743 C CG   . PHE   B 1 125 ? -32.651 3.56    -1.718  1   44.122 ? 137 PHE   B CG   1 ? 2 
ATOM   3744 C CD1  . PHE   B 1 125 ? -31.806 4.144   -0.76   1   46.766 ? 137 PHE   B CD1  1 ? 2 
ATOM   3745 C CD2  . PHE   B 1 125 ? -33.663 2.721   -1.296  1   50.396 ? 137 PHE   B CD2  1 ? 2 
ATOM   3746 C CE1  . PHE   B 1 125 ? -32.029 3.927   0.591   1   45.217 ? 137 PHE   B CE1  1 ? 2 
ATOM   3747 C CE2  . PHE   B 1 125 ? -33.869 2.492   0.063   1   53.102 ? 137 PHE   B CE2  1 ? 2 
ATOM   3748 C CZ   . PHE   B 1 125 ? -33.042 3.083   0.992   1   51.086 ? 137 PHE   B CZ   1 ? 2 
ATOM   3749 H H    . PHE   B 1 125 ? -33.118 6.569   -2.263  1   49.652 ? 137 PHE   B H    1 c 2 
ATOM   3750 H HA   . PHE   B 1 125 ? -32.69  5.261   -4.664  1   47.709 ? 137 PHE   B HA   1 c 2 
ATOM   3751 H HB2  . PHE   B 1 125 ? -32.85  3.089   -3.7    1   45.161 ? 137 PHE   B HB2  1 c 2 
ATOM   3752 H HB3  . PHE   B 1 125 ? -31.481 3.809   -3.377  1   43.055 ? 137 PHE   B HB3  1 c 2 
ATOM   3753 H HD1  . PHE   B 1 125 ? -31.119 4.729   -1.036  1   44.691 ? 137 PHE   B HD1  1 c 2 
ATOM   3754 H HD2  . PHE   B 1 125 ? -34.234 2.321   -1.933  1   50.529 ? 137 PHE   B HD2  1 c 2 
ATOM   3755 H HE1  . PHE   B 1 125 ? -31.459 4.32    1.233   1   46.16  ? 137 PHE   B HE1  1 c 2 
ATOM   3756 H HE2  . PHE   B 1 125 ? -34.565 1.919   0.345   1   53.479 ? 137 PHE   B HE2  1 c 2 
ATOM   3757 H HZ   . PHE   B 1 125 ? -33.178 2.919   1.911   1   50.736 ? 137 PHE   B HZ   1 c 2 
ATOM   3758 N N    . LYS   B 1 126 ? -35.052 4.428   -4.799  1   56.475 ? 138 LYS   B N    1 ? 2 
ATOM   3759 C CA   . LYS   B 1 126 ? -36.481 4.456   -5.095  1   58.966 ? 138 LYS   B CA   1 ? 2 
ATOM   3760 C C    . LYS   B 1 126 ? -36.816 3.08    -5.655  1   55.216 ? 138 LYS   B C    1 ? 2 
ATOM   3761 O O    . LYS   B 1 126 ? -36.05  2.578   -6.469  1   52.65  ? 138 LYS   B O    1 ? 2 
ATOM   3762 C CB   . LYS   B 1 126 ? -36.85  5.615   -6.044  1   56.269 ? 138 LYS   B CB   1 ? 2 
ATOM   3763 H H    . LYS   B 1 126 ? -34.499 3.959   -5.355  1   53.804 ? 138 LYS   B H    1 c 2 
ATOM   3764 H HA   . LYS   B 1 126 ? -36.974 4.578   -4.245  1   58.47  ? 138 LYS   B HA   1 c 2 
ATOM   3765 H HB2  . LYS   B 1 126 ? -36.112 6.05    -6.318  0   30     ? 138 LYS   B HB2  1 c 2 
ATOM   3766 H HB3  . LYS   B 1 126 ? -37.9   5.652   -6.003  0   30     ? 138 LYS   B HB3  1 c 2 
ATOM   3767 N N    . GLY   B 1 127 ? -37.971 2.526   -5.247  1   59.323 ? 139 GLY   B N    1 ? 2 
ATOM   3768 C CA   . GLY   B 1 127 ? -38.456 1.248   -5.744  1   61.053 ? 139 GLY   B CA   1 ? 2 
ATOM   3769 C C    . GLY   B 1 127 ? -38.858 1.348   -7.208  1   63.958 ? 139 GLY   B C    1 ? 2 
ATOM   3770 O O    . GLY   B 1 127 ? -39.414 2.364   -7.579  1   66.145 ? 139 GLY   B O    1 ? 2 
ATOM   3771 H H    . GLY   B 1 127 ? -38.478 2.971   -4.63   1   60.548 ? 139 GLY   B H    1 c 2 
ATOM   3772 H HA2  . GLY   B 1 127 ? -37.75  0.571   -5.639  1   58.868 ? 139 GLY   B HA2  1 c 2 
ATOM   3773 H HA3  . GLY   B 1 127 ? -39.233 0.965   -5.206  1   62.851 ? 139 GLY   B HA3  1 c 2 
ATOM   3774 N N    . GLU   B 1 128 ? -38.565 0.311   -8.014  1   65.836 ? 140 GLU   B N    1 ? 2 
ATOM   3775 C CA   . GLU   B 1 128 ? -39.085 0.165   -9.367  1   69.25  ? 140 GLU   B CA   1 ? 2 
ATOM   3776 C C    . GLU   B 1 128 ? -40.625 0.331   -9.334  1   78.115 ? 140 GLU   B C    1 ? 2 
ATOM   3777 O O    . GLU   B 1 128 ? -41.22  0.046   -8.278  1   85.083 ? 140 GLU   B O    1 ? 2 
ATOM   3778 C CB   . GLU   B 1 128 ? -38.57  -1.142  -9.983  1   60.88  ? 140 GLU   B CB   1 ? 2 
ATOM   3779 O OXT  . GLU   B 1 128 ? -41.187 0.789   -10.347 1   85.781 ? 140 GLU   B OXT  1 ? 2 
ATOM   3780 H H    . GLU   B 1 128 ? -38.007 -0.338  -7.694  1   63.435 ? 140 GLU   B H    1 c 2 
ATOM   3781 H HA   . GLU   B 1 128 ? -38.716 0.907   -9.91   1   68.047 ? 140 GLU   B HA   1 c 2 
ATOM   3782 H HB2  . GLU   B 1 128 ? -37.592 -1.113  -10.045 0   30     ? 140 GLU   B HB2  1 c 2 
ATOM   3783 H HB3  . GLU   B 1 128 ? -39.36  -1.623  -10.298 0   30     ? 140 GLU   B HB3  1 c 2 
HETATM 3784 C C4   . A1INK C 2 .   ? -5.955  -17.473 -19.798 1   29.696 ? 201 A1INK A C4   1 ? 1 
HETATM 3785 C C14  . A1INK C 2 .   ? -10.827 -17.158 -18.562 1   33.18  ? 201 A1INK A C14  1 ? 1 
HETATM 3786 C C5   . A1INK C 2 .   ? -6.425  -18.638 -19.25  1   28.147 ? 201 A1INK A C5   1 ? 1 
HETATM 3787 C C6   . A1INK C 2 .   ? -6.615  -18.735 -17.884 1   33.092 ? 201 A1INK A C6   1 ? 1 
HETATM 3788 C C11  . A1INK C 2 .   ? -9.429  -21.925 -17.682 1   40.045 ? 201 A1INK A C11  1 ? 1 
HETATM 3789 C C7   . A1INK C 2 .   ? -6.372  -17.635 -17.07  1   31.02  ? 201 A1INK A C7   1 ? 1 
HETATM 3790 C C8   . A1INK C 2 .   ? -7.627  -17.453 -15.11  1   34.85  ? 201 A1INK A C8   1 ? 1 
HETATM 3791 C C9   . A1INK C 2 .   ? -7.085  -21.139 -17.853 1   40.8   ? 201 A1INK A C9   1 ? 1 
HETATM 3792 C C10  . A1INK C 2 .   ? -8.04   -22.017 -17.092 1   38.066 ? 201 A1INK A C10  1 ? 1 
HETATM 3793 C C12  . A1INK C 2 .   ? -10.027 -19.645 -18.593 1   35.297 ? 201 A1INK A C12  1 ? 1 
HETATM 3794 C C13  . A1INK C 2 .   ? -10.516 -18.503 -17.996 1   37.006 ? 201 A1INK A C13  1 ? 1 
HETATM 3795 N N1   . A1INK C 2 .   ? -9.963  -20.566 -17.614 1   39.164 ? 201 A1INK A N1   1 ? 1 
HETATM 3796 N N2   . A1INK C 2 .   ? -10.625 -18.753 -16.664 1   40.819 ? 201 A1INK A N2   1 ? 1 
HETATM 3797 C C3   . A1INK C 2 .   ? -5.752  -16.355 -18.998 1   28.047 ? 201 A1INK A C3   1 ? 1 
HETATM 3798 N N3   . A1INK C 2 .   ? -10.264 -20     -16.415 1   40.387 ? 201 A1INK A N3   1 ? 1 
HETATM 3799 C C1   . A1INK C 2 .   ? -5.136  -14.258 -17.245 1   30.333 ? 201 A1INK A C1   1 ? 1 
HETATM 3800 O O1   . A1INK C 2 .   ? -5.62   -15.46  -16.716 1   31.497 ? 201 A1INK A O1   1 ? 1 
HETATM 3801 C C2   . A1INK C 2 .   ? -5.908  -16.442 -17.621 1   32.735 ? 201 A1INK A C2   1 ? 1 
HETATM 3802 O O2   . A1INK C 2 .   ? -6.384  -17.853 -15.684 1   34.2   ? 201 A1INK A O2   1 ? 1 
HETATM 3803 O O3   . A1INK C 2 .   ? -6.966  -19.872 -17.178 1   34.899 ? 201 A1INK A O3   1 ? 1 
HETATM 3804 C C15  . A1INK C 2 .   ? -9.839  -16.117 -18.06  1   32.852 ? 201 A1INK A C15  1 ? 1 
HETATM 3805 C C16  . A1INK C 2 .   ? -9.724  -14.902 -18.952 1   31.993 ? 201 A1INK A C16  1 ? 1 
HETATM 3806 O O4   . A1INK C 2 .   ? -9.036  -15.316 -20.184 1   26.989 ? 201 A1INK A O4   1 ? 1 
HETATM 3807 C C17  . A1INK C 2 .   ? -9.251  -14.559 -21.27  1   27.174 ? 201 A1INK A C17  1 ? 1 
HETATM 3808 O O5   . A1INK C 2 .   ? -9.917  -13.575 -21.307 1   25.712 ? 201 A1INK A O5   1 ? 1 
HETATM 3809 C C18  . A1INK C 2 .   ? -8.646  -15.191 -22.52  1   24.982 ? 201 A1INK A C18  1 ? 1 
HETATM 3810 C C19  . A1INK C 2 .   ? -9.803  -15.563 -23.459 1   27.682 ? 201 A1INK A C19  1 ? 1 
HETATM 3811 C C20  . A1INK C 2 .   ? -10.589 -16.737 -23.012 1   26.219 ? 201 A1INK A C20  1 ? 1 
HETATM 3812 C C21  . A1INK C 2 .   ? -9.692  -17.922 -22.834 1   26.24  ? 201 A1INK A C21  1 ? 1 
HETATM 3813 C C22  . A1INK C 2 .   ? -8.558  -17.628 -21.882 1   26.279 ? 201 A1INK A C22  1 ? 1 
HETATM 3814 N N4   . A1INK C 2 .   ? -7.83   -16.378 -22.204 1   26.242 ? 201 A1INK A N4   1 ? 1 
HETATM 3815 C C23  . A1INK C 2 .   ? -6.532  -16.198 -21.868 1   25.838 ? 201 A1INK A C23  1 ? 1 
HETATM 3816 O O6   . A1INK C 2 .   ? -5.987  -15.085 -21.907 1   28.616 ? 201 A1INK A O6   1 ? 1 
HETATM 3817 C C24  . A1INK C 2 .   ? -5.762  -17.394 -21.315 1   27.518 ? 201 A1INK A C24  1 ? 1 
HETATM 3818 C C25  . A1INK C 2 .   ? -4.266  -17.302 -21.66  1   26.826 ? 201 A1INK A C25  1 ? 1 
HETATM 3819 C C26  . A1INK C 2 .   ? -3.387  -18.34  -20.991 1   28.386 ? 201 A1INK A C26  1 ? 1 
HETATM 3820 C C27  . A1INK C 2 .   ? -1.918  -18.281 -21.402 1   31.302 ? 201 A1INK A C27  1 ? 1 
HETATM 3821 C C28  . A1INK C 2 .   ? -1.775  -18.459 -22.89  1   28.766 ? 201 A1INK A C28  1 ? 1 
HETATM 3822 C C29  . A1INK C 2 .   ? -2.606  -17.364 -23.5   1   26.777 ? 201 A1INK A C29  1 ? 1 
HETATM 3823 C C30  . A1INK C 2 .   ? -4.035  -17.448 -23.172 1   25.309 ? 201 A1INK A C30  1 ? 1 
HETATM 3824 H H17  . A1INK C 2 .   ? -10.789 -17.201 -19.535 1   32.63  ? 201 A1INK A H17  1 c 1 
HETATM 3825 H H16  . A1INK C 2 .   ? -11.731 -16.9   -18.302 1   34.142 ? 201 A1INK A H16  1 c 1 
HETATM 3826 H H5   . A1INK C 2 .   ? -6.586  -19.382 -19.805 1   29.968 ? 201 A1INK A H5   1 c 1 
HETATM 3827 H H14  . A1INK C 2 .   ? -9.404  -22.211 -18.618 1   39.074 ? 201 A1INK A H14  1 c 1 
HETATM 3828 H H13  . A1INK C 2 .   ? -10.028 -22.528 -17.195 1   41.301 ? 201 A1INK A H13  1 c 1 
HETATM 3829 H H7   . A1INK C 2 .   ? -7.585  -17.555 -14.145 1   36.486 ? 201 A1INK A H7   1 c 1 
HETATM 3830 H H8   . A1INK C 2 .   ? -8.34   -18.009 -15.463 1   34.875 ? 201 A1INK A H8   1 c 1 
HETATM 3831 H H6   . A1INK C 2 .   ? -7.802  -16.523 -15.33  1   33.81  ? 201 A1INK A H6   1 c 1 
HETATM 3832 H H9   . A1INK C 2 .   ? -6.204  -21.573 -17.906 1   38.853 ? 201 A1INK A H9   1 c 1 
HETATM 3833 H H10  . A1INK C 2 .   ? -7.418  -21.006 -18.767 1   37.061 ? 201 A1INK A H10  1 c 1 
HETATM 3834 H H11  . A1INK C 2 .   ? -8.065  -21.738 -16.151 1   40.557 ? 201 A1INK A H11  1 c 1 
HETATM 3835 H H12  . A1INK C 2 .   ? -7.73   -22.947 -17.127 1   41.024 ? 201 A1INK A H12  1 c 1 
HETATM 3836 H H15  . A1INK C 2 .   ? -9.851  -19.782 -19.508 1   35.29  ? 201 A1INK A H15  1 c 1 
HETATM 3837 H H4   . A1INK C 2 .   ? -5.425  -15.56  -19.388 1   28.311 ? 201 A1INK A H4   1 c 1 
HETATM 3838 H H2   . A1INK C 2 .   ? -4.96   -13.637 -16.519 1   31.102 ? 201 A1INK A H2   1 c 1 
HETATM 3839 H H3   . A1INK C 2 .   ? -5.798  -13.876 -17.842 1   29.389 ? 201 A1INK A H3   1 c 1 
HETATM 3840 H H1   . A1INK C 2 .   ? -4.313  -14.425 -17.733 1   30.02  ? 201 A1INK A H1   1 c 1 
HETATM 3841 H H19  . A1INK C 2 .   ? -10.116 -15.829 -17.172 1   34.023 ? 201 A1INK A H19  1 c 1 
HETATM 3842 H H18  . A1INK C 2 .   ? -8.961  -16.532 -17.981 1   33.191 ? 201 A1INK A H18  1 c 1 
HETATM 3843 H H21  . A1INK C 2 .   ? -10.616 -14.558 -19.162 1   30.68  ? 201 A1INK A H21  1 c 1 
HETATM 3844 H H20  . A1INK C 2 .   ? -9.215  -14.194 -18.507 1   30.899 ? 201 A1INK A H20  1 c 1 
HETATM 3845 H H22  . A1INK C 2 .   ? -8.066  -14.519 -22.967 1   25.297 ? 201 A1INK A H22  1 c 1 
HETATM 3846 H H24  . A1INK C 2 .   ? -10.41  -14.788 -23.546 1   26.079 ? 201 A1INK A H24  1 c 1 
HETATM 3847 H H23  . A1INK C 2 .   ? -9.434  -15.752 -24.353 1   26.142 ? 201 A1INK A H23  1 c 1 
HETATM 3848 H H25  . A1INK C 2 .   ? -11.282 -16.946 -23.68  1   26.649 ? 201 A1INK A H25  1 c 1 
HETATM 3849 H H26  . A1INK C 2 .   ? -11.039 -16.532 -22.16  1   27.044 ? 201 A1INK A H26  1 c 1 
HETATM 3850 H H27  . A1INK C 2 .   ? -9.324  -18.185 -23.704 1   26.225 ? 201 A1INK A H27  1 c 1 
HETATM 3851 H H28  . A1INK C 2 .   ? -10.216 -18.676 -22.488 1   27.421 ? 201 A1INK A H28  1 c 1 
HETATM 3852 H H29  . A1INK C 2 .   ? -7.931  -18.384 -21.902 1   27.211 ? 201 A1INK A H29  1 c 1 
HETATM 3853 H H30  . A1INK C 2 .   ? -8.916  -17.564 -20.968 1   27.191 ? 201 A1INK A H30  1 c 1 
HETATM 3854 H H31  . A1INK C 2 .   ? -6.129  -18.224 -21.715 1   27.867 ? 201 A1INK A H31  1 c 1 
HETATM 3855 H H32  . A1INK C 2 .   ? -3.938  -16.406 -21.386 1   26.409 ? 201 A1INK A H32  1 c 1 
HETATM 3856 H H33  . A1INK C 2 .   ? -3.736  -19.229 -21.2   1   29.56  ? 201 A1INK A H33  1 c 1 
HETATM 3857 H H34  . A1INK C 2 .   ? -3.443  -18.224 -20.021 1   29.518 ? 201 A1INK A H34  1 c 1 
HETATM 3858 H H36  . A1INK C 2 .   ? -1.537  -17.415 -21.137 1   29.896 ? 201 A1INK A H36  1 c 1 
HETATM 3859 H H35  . A1INK C 2 .   ? -1.419  -18.99  -20.938 1   31.481 ? 201 A1INK A H35  1 c 1 
HETATM 3860 H H38  . A1INK C 2 .   ? -0.835  -18.37  -23.16  1   29.582 ? 201 A1INK A H38  1 c 1 
HETATM 3861 H H37  . A1INK C 2 .   ? -2.11   -19.34  -23.166 1   29.74  ? 201 A1INK A H37  1 c 1 
HETATM 3862 H H40  . A1INK C 2 .   ? -2.261  -16.496 -23.193 1   26.288 ? 201 A1INK A H40  1 c 1 
HETATM 3863 H H39  . A1INK C 2 .   ? -2.503  -17.394 -24.477 1   26.51  ? 201 A1INK A H39  1 c 1 
HETATM 3864 H H41  . A1INK C 2 .   ? -4.388  -18.31  -23.474 1   26.294 ? 201 A1INK A H41  1 c 1 
HETATM 3865 H H42  . A1INK C 2 .   ? -4.517  -16.74  -23.646 1   24.938 ? 201 A1INK A H42  1 c 1 
HETATM 3866 C C4   . A1INK D 2 .   ? -15.409 2.895   -14.223 1   36.541 ? 201 A1INK B C4   1 ? 2 
HETATM 3867 C C14  . A1INK D 2 .   ? -20.326 2.481   -15.093 1   47.212 ? 201 A1INK B C14  1 ? 2 
HETATM 3868 C C5   . A1INK D 2 .   ? -15.864 4.07    -14.813 1   35.925 ? 201 A1INK B C5   1 ? 2 
HETATM 3869 C C6   . A1INK D 2 .   ? -16.115 4.159   -16.174 1   39.853 ? 201 A1INK B C6   1 ? 2 
HETATM 3870 C C11  . A1INK D 2 .   ? -19.23  7.29    -16.122 1   57.052 ? 201 A1INK B C11  1 ? 2 
HETATM 3871 C C7   . A1INK D 2 .   ? -15.876 3.094   -16.998 1   40.659 ? 201 A1INK B C7   1 ? 2 
HETATM 3872 C C8   . A1INK D 2 .   ? -17.499 3.066   -18.673 1   48.118 ? 201 A1INK B C8   1 ? 2 
HETATM 3873 C C9   . A1INK D 2 .   ? -16.827 6.477   -15.991 1   50.429 ? 201 A1INK B C9   1 ? 2 
HETATM 3874 C C10  . A1INK D 2 .   ? -17.79  7.448   -16.659 1   52.176 ? 201 A1INK B C10  1 ? 2 
HETATM 3875 C C12  . A1INK D 2 .   ? -19.683 4.984   -15.158 1   49.044 ? 201 A1INK B C12  1 ? 2 
HETATM 3876 C C13  . A1INK D 2 .   ? -20.178 3.832   -15.705 1   51.489 ? 201 A1INK B C13  1 ? 2 
HETATM 3877 N N1   . A1INK D 2 .   ? -19.731 5.902   -16.148 1   51.501 ? 201 A1INK B N1   1 ? 2 
HETATM 3878 N N2   . A1INK D 2 .   ? -20.525 4.085   -16.997 1   53.414 ? 201 A1INK B N2   1 ? 2 
HETATM 3879 C C3   . A1INK D 2 .   ? -15.124 1.816   -15.071 1   38.467 ? 201 A1INK B C3   1 ? 2 
HETATM 3880 N N3   . A1INK D 2 .   ? -20.229 5.343   -17.287 1   47.906 ? 201 A1INK B N3   1 ? 2 
HETATM 3881 C C1   . A1INK D 2 .   ? -14.614 -0.217  -16.913 1   37.904 ? 201 A1INK B C1   1 ? 2 
HETATM 3882 O O1   . A1INK D 2 .   ? -15.198 0.971   -17.394 1   39.822 ? 201 A1INK B O1   1 ? 2 
HETATM 3883 C C2   . A1INK D 2 .   ? -15.353 1.939   -16.45  1   38.353 ? 201 A1INK B C2   1 ? 2 
HETATM 3884 O O2   . A1INK D 2 .   ? -16.118 3.148   -18.35  1   44.372 ? 201 A1INK B O2   1 ? 2 
HETATM 3885 O O3   . A1INK D 2 .   ? -16.682 5.246   -16.786 1   45.302 ? 201 A1INK B O3   1 ? 2 
HETATM 3886 C C15  . A1INK D 2 .   ? -19.288 1.483   -15.638 1   42.857 ? 201 A1INK B C15  1 ? 2 
HETATM 3887 C C16  . A1INK D 2 .   ? -18.964 0.343   -14.713 1   37.634 ? 201 A1INK B C16  1 ? 2 
HETATM 3888 O O4   . A1INK D 2 .   ? -18.446 0.832   -13.452 1   33.493 ? 201 A1INK B O4   1 ? 2 
HETATM 3889 C C17  . A1INK D 2 .   ? -18.628 0.065   -12.375 1   32.875 ? 201 A1INK B C17  1 ? 2 
HETATM 3890 O O5   . A1INK D 2 .   ? -19.258 -0.958  -12.36  1   34.776 ? 201 A1INK B O5   1 ? 2 
HETATM 3891 C C18  . A1INK D 2 .   ? -17.95  0.697   -11.164 1   31.592 ? 201 A1INK B C18  1 ? 2 
HETATM 3892 C C19  . A1INK D 2 .   ? -18.964 1.155   -10.123 1   35.573 ? 201 A1INK B C19  1 ? 2 
HETATM 3893 C C20  . A1INK D 2 .   ? -19.808 2.321   -10.573 1   35.516 ? 201 A1INK B C20  1 ? 2 
HETATM 3894 C C21  . A1INK D 2 .   ? -18.928 3.539   -10.875 1   36.397 ? 201 A1INK B C21  1 ? 2 
HETATM 3895 C C22  . A1INK D 2 .   ? -17.848 3.203   -11.917 1   36.286 ? 201 A1INK B C22  1 ? 2 
HETATM 3896 N N4   . A1INK D 2 .   ? -17.129 1.86    -11.625 1   31.989 ? 201 A1INK B N4   1 ? 2 
HETATM 3897 C C23  . A1INK D 2 .   ? -15.871 1.667   -12.103 1   31.701 ? 201 A1INK B C23  1 ? 2 
HETATM 3898 O O6   . A1INK D 2 .   ? -15.369 0.533   -12.087 1   34.829 ? 201 A1INK B O6   1 ? 2 
HETATM 3899 C C24  . A1INK D 2 .   ? -15.061 2.858   -12.734 1   34.107 ? 201 A1INK B C24  1 ? 2 
HETATM 3900 C C25  . A1INK D 2 .   ? -13.522 2.715   -12.474 1   33.574 ? 201 A1INK B C25  1 ? 2 
HETATM 3901 C C26  . A1INK D 2 .   ? -12.703 3.782   -13.229 1   38.989 ? 201 A1INK B C26  1 ? 2 
HETATM 3902 C C27  . A1INK D 2 .   ? -11.192 3.624   -12.979 1   41.61  ? 201 A1INK B C27  1 ? 2 
HETATM 3903 C C28  . A1INK D 2 .   ? -10.826 3.639   -11.527 1   36.848 ? 201 A1INK B C28  1 ? 2 
HETATM 3904 C C29  . A1INK D 2 .   ? -11.661 2.687   -10.667 1   34.971 ? 201 A1INK B C29  1 ? 2 
HETATM 3905 C C30  . A1INK D 2 .   ? -13.145 2.779   -10.994 1   32.827 ? 201 A1INK B C30  1 ? 2 
HETATM 3906 H H17  . A1INK D 2 .   ? -20.224 2.556   -14.127 1   45.42  ? 201 A1INK B H17  1 c 2 
HETATM 3907 H H16  . A1INK D 2 .   ? -21.222 2.144   -15.278 1   47.181 ? 201 A1INK B H16  1 c 2 
HETATM 3908 H H5   . A1INK D 2 .   ? -16.059 4.807   -14.257 1   37.266 ? 201 A1INK B H5   1 c 2 
HETATM 3909 H H14  . A1INK D 2 .   ? -19.262 7.615   -15.199 1   53.877 ? 201 A1INK B H14  1 c 2 
HETATM 3910 H H13  . A1INK D 2 .   ? -19.831 7.848   -16.657 1   56.677 ? 201 A1INK B H13  1 c 2 
HETATM 3911 H H7   . A1INK D 2 .   ? -17.601 2.992   -19.636 1   48.795 ? 201 A1INK B H7   1 c 2 
HETATM 3912 H H8   . A1INK D 2 .   ? -17.956 3.864   -18.361 1   47.429 ? 201 A1INK B H8   1 c 2 
HETATM 3913 H H6   . A1INK D 2 .   ? -17.886 2.284   -18.246 1   45.535 ? 201 A1INK B H6   1 c 2 
HETATM 3914 H H9   . A1INK D 2 .   ? -15.949 6.906   -15.887 1   49.577 ? 201 A1INK B H9   1 c 2 
HETATM 3915 H H10  . A1INK D 2 .   ? -17.165 6.257   -15.096 1   47.308 ? 201 A1INK B H10  1 c 2 
HETATM 3916 H H11  . A1INK D 2 .   ? -17.787 7.292   -17.627 1   54.956 ? 201 A1INK B H11  1 c 2 
HETATM 3917 H H12  . A1INK D 2 .   ? -17.486 8.367   -16.5   1   54.739 ? 201 A1INK B H12  1 c 2 
HETATM 3918 H H15  . A1INK D 2 .   ? -19.325 5.101   -14.295 1   48.406 ? 201 A1INK B H15  1 c 2 
HETATM 3919 H H4   . A1INK D 2 .   ? -14.752 1.024   -14.714 1   36.301 ? 201 A1INK B H4   1 c 2 
HETATM 3920 H H2   . A1INK D 2 .   ? -14.492 -0.836  -17.652 1   38.739 ? 201 A1INK B H2   1 c 2 
HETATM 3921 H H3   . A1INK D 2 .   ? -15.195 -0.621  -16.249 1   36.579 ? 201 A1INK B H3   1 c 2 
HETATM 3922 H H1   . A1INK D 2 .   ? -13.751 -0.018  -16.515 1   37.714 ? 201 A1INK B H1   1 c 2 
HETATM 3923 H H19  . A1INK D 2 .   ? -19.624 1.118   -16.476 1   44.042 ? 201 A1INK B H19  1 c 2 
HETATM 3924 H H18  . A1INK D 2 .   ? -18.466 1.968   -15.833 1   43.451 ? 201 A1INK B H18  1 c 2 
HETATM 3925 H H21  . A1INK D 2 .   ? -19.779 -0.178  -14.561 1   37.322 ? 201 A1INK B H21  1 c 2 
HETATM 3926 H H20  . A1INK D 2 .   ? -18.304 -0.244  -15.136 1   37.541 ? 201 A1INK B H20  1 c 2 
HETATM 3927 H H22  . A1INK D 2 .   ? -17.341 0.027   -10.754 1   31.236 ? 201 A1INK B H22  1 c 2 
HETATM 3928 H H24  . A1INK D 2 .   ? -19.558 0.398   -9.898  1   33.605 ? 201 A1INK B H24  1 c 2 
HETATM 3929 H H23  . A1INK D 2 .   ? -18.481 1.411   -9.303  1   33.479 ? 201 A1INK B H23  1 c 2 
HETATM 3930 H H25  . A1INK D 2 .   ? -20.456 2.551   -9.867  1   35.67  ? 201 A1INK B H25  1 c 2 
HETATM 3931 H H26  . A1INK D 2 .   ? -20.315 2.072   -11.38  1   36.607 ? 201 A1INK B H26  1 c 2 
HETATM 3932 H H27  . A1INK D 2 .   ? -18.497 3.844   -10.048 1   35.762 ? 201 A1INK B H27  1 c 2 
HETATM 3933 H H28  . A1INK D 2 .   ? -19.488 4.27    -11.213 1   37.593 ? 201 A1INK B H28  1 c 2 
HETATM 3934 H H29  . A1INK D 2 .   ? -17.187 3.931   -11.928 1   36.466 ? 201 A1INK B H29  1 c 2 
HETATM 3935 H H30  . A1INK D 2 .   ? -18.262 3.161   -12.808 1   36.822 ? 201 A1INK B H30  1 c 2 
HETATM 3936 H H31  . A1INK D 2 .   ? -15.373 3.706   -12.327 1   34.478 ? 201 A1INK B H31  1 c 2 
HETATM 3937 H H32  . A1INK D 2 .   ? -13.241 1.826   -12.815 1   33.968 ? 201 A1INK B H32  1 c 2 
HETATM 3938 H H33  . A1INK D 2 .   ? -12.988 4.671   -12.942 1   39.383 ? 201 A1INK B H33  1 c 2 
HETATM 3939 H H34  . A1INK D 2 .   ? -12.878 3.704   -14.188 1   39.937 ? 201 A1INK B H34  1 c 2 
HETATM 3940 H H36  . A1INK D 2 .   ? -10.889 2.778   -13.375 1   40.006 ? 201 A1INK B H36  1 c 2 
HETATM 3941 H H35  . A1INK D 2 .   ? -10.717 4.353   -13.435 1   42.046 ? 201 A1INK B H35  1 c 2 
HETATM 3942 H H38  . A1INK D 2 .   ? -9.878  3.399   -11.437 1   38.047 ? 201 A1INK B H38  1 c 2 
HETATM 3943 H H37  . A1INK D 2 .   ? -10.933 4.553   -11.183 1   38.404 ? 201 A1INK B H37  1 c 2 
HETATM 3944 H H40  . A1INK D 2 .   ? -11.354 1.765   -10.814 1   33.812 ? 201 A1INK B H40  1 c 2 
HETATM 3945 H H39  . A1INK D 2 .   ? -11.524 2.904   -9.718  1   33.872 ? 201 A1INK B H39  1 c 2 
HETATM 3946 H H41  . A1INK D 2 .   ? -13.489 3.618   -10.626 1   33.511 ? 201 A1INK B H41  1 c 2 
HETATM 3947 H H42  . A1INK D 2 .   ? -13.606 2.052   -10.527 1   31.757 ? 201 A1INK B H42  1 c 2 
HETATM 3948 O O    . HOH   E 3 .   ? -17.541 -15.427 -39.858 1   41.96  ? 301 HOH   A O    1 ? ? 
HETATM 3949 O O    . HOH   E 3 .   ? -5.711  -2.423  -40.832 1   47.876 ? 302 HOH   A O    1 ? ? 
HETATM 3950 O O    . HOH   E 3 .   ? -1.075  -11.622 -10.031 1   39.954 ? 303 HOH   A O    1 ? ? 
HETATM 3951 O O    . HOH   E 3 .   ? -16.606 -17.394 -18.901 1   47.971 ? 304 HOH   A O    1 ? ? 
HETATM 3952 O O    . HOH   E 3 .   ? 3.935   -8.19   -28.045 1   39.625 ? 305 HOH   A O    1 ? ? 
HETATM 3953 O O    . HOH   E 3 .   ? -24.103 -19.138 -37.418 1   42.37  ? 306 HOH   A O    1 ? ? 
HETATM 3954 O O    . HOH   E 3 .   ? -28.135 -13.983 -31.381 1   46.637 ? 307 HOH   A O    1 ? ? 
HETATM 3955 O O    . HOH   E 3 .   ? 1.881   -22.985 -36.385 1   43.98  ? 308 HOH   A O    1 ? ? 
HETATM 3956 O O    . HOH   E 3 .   ? -8.736  -25.480 -42.795 1   44.325 ? 309 HOH   A O    1 ? ? 
HETATM 3957 O O    . HOH   E 3 .   ? -14.498 -13.341 -40.481 1   42.354 ? 310 HOH   A O    1 ? ? 
HETATM 3958 O O    . HOH   E 3 .   ? -1.982  -1.241  -32.887 1   44.531 ? 311 HOH   A O    1 ? ? 
HETATM 3959 O O    . HOH   E 3 .   ? -12.89  -3.002  -32.759 1   41.126 ? 312 HOH   A O    1 ? ? 
HETATM 3960 O O    . HOH   E 3 .   ? -15.01  -6.05   -24.503 1   43.024 ? 313 HOH   A O    1 ? ? 
HETATM 3961 O O    . HOH   E 3 .   ? -8.336  -4.244  -24.45  1   38.815 ? 314 HOH   A O    1 ? ? 
HETATM 3962 O O    . HOH   E 3 .   ? -4.504  -26.005 -20.635 1   39.823 ? 315 HOH   A O    1 ? ? 
HETATM 3963 O O    . HOH   E 3 .   ? -3.037  -14.191 -14.239 1   40.405 ? 316 HOH   A O    1 ? ? 
HETATM 3964 O O    . HOH   E 3 .   ? -11.684 -17.416 -14.599 1   39.336 ? 317 HOH   A O    1 ? ? 
HETATM 3965 O O    . HOH   E 3 .   ? -13.495 0.871   -39.07  1   47.344 ? 318 HOH   A O    1 ? ? 
HETATM 3966 O O    . HOH   E 3 .   ? -5.831  -27.721 -34.005 1   40.323 ? 319 HOH   A O    1 ? ? 
HETATM 3967 O O    . HOH   E 3 .   ? -2.675  -8.336  -33.969 1   32.63  ? 320 HOH   A O    1 ? ? 
HETATM 3968 O O    . HOH   E 3 .   ? -5.6    -20.246 -14.664 1   43.553 ? 321 HOH   A O    1 ? ? 
HETATM 3969 O O    . HOH   E 3 .   ? -2.296  -24.984 -19.662 1   48.363 ? 322 HOH   A O    1 ? ? 
HETATM 3970 O O    . HOH   E 3 .   ? 2.04    -8.163  -31.993 1   34.06  ? 323 HOH   A O    1 ? ? 
HETATM 3971 O O    . HOH   E 3 .   ? -2.52   -9.159  -42.092 1   44.109 ? 324 HOH   A O    1 ? ? 
HETATM 3972 O O    . HOH   E 3 .   ? 0.381   -8.133  -21.611 1   27.107 ? 325 HOH   A O    1 ? ? 
HETATM 3973 O O    . HOH   E 3 .   ? -6.617  -7.081  -19.665 1   31.807 ? 326 HOH   A O    1 ? ? 
HETATM 3974 O O    . HOH   E 3 .   ? -4.22   -6.016  -18.037 1   34.155 ? 327 HOH   A O    1 ? ? 
HETATM 3975 O O    . HOH   E 3 .   ? -10.506 -15.11  -42.811 1   43.252 ? 328 HOH   A O    1 ? ? 
HETATM 3976 O O    . HOH   E 3 .   ? -1.286  -9.14   -23.453 1   28.818 ? 329 HOH   A O    1 ? ? 
HETATM 3977 O O    . HOH   E 3 .   ? 0.7     -8.084  -14.047 1   38.775 ? 330 HOH   A O    1 ? ? 
HETATM 3978 O O    . HOH   E 3 .   ? -3.005  -0.223  -38.573 1   52.086 ? 331 HOH   A O    1 ? ? 
HETATM 3979 O O    . HOH   E 3 .   ? -5.897  -20.127 -44.163 1   46.043 ? 332 HOH   A O    1 ? ? 
HETATM 3980 O O    . HOH   E 3 .   ? -16.576 -7.549  -34.026 1   34.047 ? 333 HOH   A O    1 ? ? 
HETATM 3981 O O    . HOH   E 3 .   ? -17.509 -10.815 -22.378 1   32.488 ? 334 HOH   A O    1 ? ? 
HETATM 3982 O O    . HOH   E 3 .   ? -6.1    -1.071  -24.022 1   42.153 ? 335 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   E 3 .   ? -10.715 -0.79   -32.507 1   35.812 ? 336 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   E 3 .   ? -12.139 -7.286  -20.929 1   28.417 ? 337 HOH   A O    1 ? ? 
HETATM 3985 O O    . HOH   E 3 .   ? -11.473 -23.706 -20.273 1   46.146 ? 338 HOH   A O    1 ? ? 
HETATM 3986 O O    . HOH   E 3 .   ? -1.908  -10.554 -12.031 1   36.906 ? 339 HOH   A O    1 ? ? 
HETATM 3987 O O    . HOH   E 3 .   ? -8.599  -6.692  -23.101 1   27.36  ? 340 HOH   A O    1 ? ? 
HETATM 3988 O O    . HOH   E 3 .   ? -21.616 -10.833 -38.467 1   45.351 ? 341 HOH   A O    1 ? ? 
HETATM 3989 O O    . HOH   E 3 .   ? -4.787  -16.026 -14.038 1   42.384 ? 342 HOH   A O    1 ? ? 
HETATM 3990 O O    . HOH   E 3 .   ? -16.783 -22.381 -19.1   1   42.045 ? 343 HOH   A O    1 ? ? 
HETATM 3991 O O    . HOH   E 3 .   ? -19.132 -8.542  -28.565 1   41.011 ? 344 HOH   A O    1 ? ? 
HETATM 3992 O O    . HOH   E 3 .   ? -4.044  -23.265 -18.521 1   44.111 ? 345 HOH   A O    1 ? ? 
HETATM 3993 O O    . HOH   E 3 .   ? -2.954  -2.414  -30.776 1   42.134 ? 346 HOH   A O    1 ? ? 
HETATM 3994 O O    . HOH   E 3 .   ? 4.661   -18.334 -36.419 1   44.434 ? 347 HOH   A O    1 ? ? 
HETATM 3995 O O    . HOH   E 3 .   ? 4.518   -11.573 -26.809 1   43.815 ? 348 HOH   A O    1 ? ? 
HETATM 3996 O O    . HOH   E 3 .   ? 0.424   -0.902  -24.256 1   48.452 ? 349 HOH   A O    1 ? ? 
HETATM 3997 O O    . HOH   E 3 .   ? -0.989  -14.846 -13.093 1   35.245 ? 350 HOH   A O    1 ? ? 
HETATM 3998 O O    . HOH   E 3 .   ? -4.42   -4.796  -42.074 1   37.103 ? 351 HOH   A O    1 ? ? 
HETATM 3999 O O    . HOH   E 3 .   ? -9.284  0.072   -28.534 1   54.83  ? 352 HOH   A O    1 ? ? 
HETATM 4000 O O    . HOH   E 3 .   ? 6.509   -8.764  -17.61  1   41.018 ? 353 HOH   A O    1 ? ? 
HETATM 4001 O O    . HOH   E 3 .   ? -1.749  -13.783 -10.526 1   34.808 ? 354 HOH   A O    1 ? ? 
HETATM 4002 O O    . HOH   E 3 .   ? 1.161   -5.195  -37.125 1   46.81  ? 355 HOH   A O    1 ? ? 
HETATM 4003 O O    . HOH   E 3 .   ? -8.036  -14.201 -43.952 1   60.745 ? 356 HOH   A O    1 ? ? 
HETATM 4004 O O    . HOH   E 3 .   ? -9.728  -25.459 -31.387 1   56.866 ? 357 HOH   A O    1 ? ? 
HETATM 4005 O O    . HOH   E 3 .   ? -26.212 -23.108 -37.881 1   57.45  ? 358 HOH   A O    1 ? ? 
HETATM 4006 O O    . HOH   E 3 .   ? -26.538 -20.488 -36.783 1   47.451 ? 359 HOH   A O    1 ? ? 
HETATM 4007 O O    . HOH   E 3 .   ? -14.897 -5.177  -26.867 1   46.71  ? 360 HOH   A O    1 ? ? 
HETATM 4008 O O    . HOH   E 3 .   ? -2.945  -0.828  -22.288 1   54.357 ? 361 HOH   A O    1 ? ? 
HETATM 4009 O O    . HOH   E 3 .   ? -17.528 -5.924  -32.256 1   44.38  ? 362 HOH   A O    1 ? ? 
HETATM 4010 O O    . HOH   F 3 .   ? -36.472 -4.333  -4.676  1   41.08  ? 301 HOH   B O    1 ? ? 
HETATM 4011 O O    . HOH   F 3 .   ? -13.354 9.525   -14.785 1   55.526 ? 302 HOH   B O    1 ? ? 
HETATM 4012 O O    . HOH   F 3 .   ? -25.381 -4.787  -11.238 1   50.344 ? 303 HOH   B O    1 ? ? 
HETATM 4013 O O    . HOH   F 3 .   ? -7.001  -12.867 -1.436  1   44.057 ? 304 HOH   B O    1 ? ? 
HETATM 4014 O O    . HOH   F 3 .   ? -14.652 12.976  0.261   1   43.696 ? 305 HOH   B O    1 ? ? 
HETATM 4015 O O    . HOH   F 3 .   ? -25.261 4.356   7.986   1   37.365 ? 306 HOH   B O    1 ? ? 
HETATM 4016 O O    . HOH   F 3 .   ? -22.195 -13.439 5.948   1   53.621 ? 307 HOH   B O    1 ? ? 
HETATM 4017 O O    . HOH   F 3 .   ? -10.377 -5.908  7.691   1   34.498 ? 308 HOH   B O    1 ? ? 
HETATM 4018 O O    . HOH   F 3 .   ? -15.907 -4.494  -18.64  1   40.349 ? 309 HOH   B O    1 ? ? 
HETATM 4019 O O    . HOH   F 3 .   ? -23.558 -8.255  2.525   1   39.87  ? 310 HOH   B O    1 ? ? 
HETATM 4020 O O    . HOH   F 3 .   ? -21.771 -11.651 -1.034  1   39.696 ? 311 HOH   B O    1 ? ? 
HETATM 4021 O O    . HOH   F 3 .   ? -20.315 -8.961  7.648   1   39.764 ? 312 HOH   B O    1 ? ? 
HETATM 4022 O O    . HOH   F 3 .   ? -10.909 -5.585  -11.035 1   26.87  ? 313 HOH   B O    1 ? ? 
HETATM 4023 O O    . HOH   F 3 .   ? -7.047  -7.282  -3.091  1   32.187 ? 314 HOH   B O    1 ? ? 
HETATM 4024 O O    . HOH   F 3 .   ? -21.691 15.011  1.298   1   42.38  ? 315 HOH   B O    1 ? ? 
HETATM 4025 O O    . HOH   F 3 .   ? -8.124  -12.056 -5.268  1   33.509 ? 316 HOH   B O    1 ? ? 
HETATM 4026 O O    . HOH   F 3 .   ? -12.112 -12.738 -4.252  1   35.94  ? 317 HOH   B O    1 ? ? 
HETATM 4027 O O    . HOH   F 3 .   ? -13.857 -17.318 5.603   1   49.671 ? 318 HOH   B O    1 ? ? 
HETATM 4028 O O    . HOH   F 3 .   ? -26.328 8.243   -13.881 1   45.103 ? 319 HOH   B O    1 ? ? 
HETATM 4029 O O    . HOH   F 3 .   ? -18.256 -7.807  -11.047 1   28.762 ? 320 HOH   B O    1 ? ? 
HETATM 4030 O O    . HOH   F 3 .   ? -13.547 -12.436 6.521   1   31.326 ? 321 HOH   B O    1 ? ? 
HETATM 4031 O O    . HOH   F 3 .   ? -31.92  4.751   4.678   1   41.377 ? 322 HOH   B O    1 ? ? 
HETATM 4032 O O    . HOH   F 3 .   ? -19.55  -13.996 -1.632  1   32.262 ? 323 HOH   B O    1 ? ? 
HETATM 4033 O O    . HOH   F 3 .   ? -9.442  -6.646  -13.122 1   27.407 ? 324 HOH   B O    1 ? ? 
HETATM 4034 O O    . HOH   F 3 .   ? -25.193 -7.044  0.615   1   31.577 ? 325 HOH   B O    1 ? ? 
HETATM 4035 O O    . HOH   F 3 .   ? -10.623 3.974   4.752   1   37.138 ? 326 HOH   B O    1 ? ? 
HETATM 4036 O O    . HOH   F 3 .   ? -22.166 -1.569  7.133   1   35.272 ? 327 HOH   B O    1 ? ? 
HETATM 4037 O O    . HOH   F 3 .   ? -12.888 -2.928  -21.904 1   38.599 ? 328 HOH   B O    1 ? ? 
HETATM 4038 O O    . HOH   F 3 .   ? -21.907 -15.354 5.239   1   43.193 ? 329 HOH   B O    1 ? ? 
HETATM 4039 O O    . HOH   F 3 .   ? -2.499  -6.344  -14.296 1   35.7   ? 330 HOH   B O    1 ? ? 
HETATM 4040 O O    . HOH   F 3 .   ? -10.258 -12.596 -10.491 1   45.84  ? 331 HOH   B O    1 ? ? 
HETATM 4041 O O    . HOH   F 3 .   ? -12.027 -10.234 7.299   1   36.084 ? 332 HOH   B O    1 ? ? 
HETATM 4042 O O    . HOH   F 3 .   ? -12.965 -8.129  8.703   1   35.058 ? 333 HOH   B O    1 ? ? 
HETATM 4043 O O    . HOH   F 3 .   ? -11.796 0.738   -19.934 1   46.258 ? 334 HOH   B O    1 ? ? 
HETATM 4044 O O    . HOH   F 3 .   ? -12.271 -12.119 -15.896 1   35.872 ? 335 HOH   B O    1 ? ? 
HETATM 4045 O O    . HOH   F 3 .   ? -2.757  -7.56   -10.083 1   38.35  ? 336 HOH   B O    1 ? ? 
HETATM 4046 O O    . HOH   F 3 .   ? -11.172 -6.554  -0.622  1   28.867 ? 337 HOH   B O    1 ? ? 
HETATM 4047 O O    . HOH   F 3 .   ? -10.342 -1.943  -25.002 1   59.002 ? 338 HOH   B O    1 ? ? 
HETATM 4048 O O    . HOH   F 3 .   ? -17.851 0.228   9.38    1   41.805 ? 339 HOH   B O    1 ? ? 
HETATM 4049 O O    . HOH   F 3 .   ? -6.859  -6.024  0.933   1   38.135 ? 340 HOH   B O    1 ? ? 
HETATM 4050 O O    . HOH   F 3 .   ? -21     9.539   11.225  1   48.796 ? 341 HOH   B O    1 ? ? 
HETATM 4051 O O    . HOH   F 3 .   ? -20.703 17.099  -8.827  1   50.529 ? 342 HOH   B O    1 ? ? 
HETATM 4052 O O    . HOH   F 3 .   ? -15.724 -8.753  8.979   1   33.183 ? 343 HOH   B O    1 ? ? 
HETATM 4053 O O    . HOH   F 3 .   ? -9.716  -6.038  -20.705 1   32.055 ? 344 HOH   B O    1 ? ? 
HETATM 4054 O O    . HOH   F 3 .   ? -6.81   -8.046  2.425   1   42.413 ? 345 HOH   B O    1 ? ? 
HETATM 4055 O O    . HOH   F 3 .   ? -4.654  -3.6    -8.3    1   42.007 ? 346 HOH   B O    1 ? ? 
HETATM 4056 O O    . HOH   F 3 .   ? -10.597 -14.072 -2.373  1   43.411 ? 347 HOH   B O    1 ? ? 
HETATM 4057 O O    . HOH   F 3 .   ? -29.752 13.287  -0.499  1   56.858 ? 348 HOH   B O    1 ? ? 
HETATM 4058 O O    . HOH   F 3 .   ? -3.423  2.875   1.27    1   37.656 ? 349 HOH   B O    1 ? ? 
HETATM 4059 O O    . HOH   F 3 .   ? -7.315  -10.389 2.165   1   34.906 ? 350 HOH   B O    1 ? ? 
HETATM 4060 O O    . HOH   F 3 .   ? -13.919 -18.155 2.242   1   50.462 ? 351 HOH   B O    1 ? ? 
HETATM 4061 O O    . HOH   F 3 .   ? -17.66  9.649   -14.056 1   55.052 ? 352 HOH   B O    1 ? ? 
HETATM 4062 O O    . HOH   F 3 .   ? -18.123 10.687  -1.954  1   46.086 ? 353 HOH   B O    1 ? ? 
HETATM 4063 O O    . HOH   F 3 .   ? -8.313  -13.746 -3.381  1   38.537 ? 354 HOH   B O    1 ? ? 
HETATM 4064 O O    . HOH   F 3 .   ? -34.321 13.768  -1.421  1   58.65  ? 355 HOH   B O    1 ? ? 
HETATM 4065 O O    . HOH   F 3 .   ? -20.182 -3.403  -15.313 1   54.644 ? 356 HOH   B O    1 ? ? 
HETATM 4066 O O    . HOH   F 3 .   ? -18.39  -1.437  -17.624 1   47.723 ? 357 HOH   B O    1 ? ? 
HETATM 4067 O O    . HOH   F 3 .   ? -24.273 3.122   9.811   1   48.973 ? 358 HOH   B O    1 ? ? 
HETATM 4068 O O    . HOH   F 3 .   ? -27.791 9.807   -15.015 1   54.478 ? 359 HOH   B O    1 ? ? 
HETATM 4069 O O    . HOH   F 3 .   ? -18.767 15.103  0.931   1   38.479 ? 360 HOH   B O    1 ? ? 
HETATM 4070 O O    . HOH   F 3 .   ? -24.972 16.905  3.597   1   54.511 ? 361 HOH   B O    1 ? ? 
HETATM 4071 O O    . HOH   F 3 .   ? -34.532 5.685   4.06    1   46.941 ? 362 HOH   B O    1 ? ? 
HETATM 4072 O O    . HOH   F 3 .   ? -19.957 -8.451  -13.282 1   48.205 ? 363 HOH   B O    1 ? ? 
HETATM 4073 O O    . HOH   F 3 .   ? -8.367  -6.547  -0.901  1   33.968 ? 364 HOH   B O    1 ? ? 
HETATM 4074 O O    . HOH   F 3 .   ? -32.103 14.882  -0.993  1   55.799 ? 365 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    . GLY   A 1   ? 0.625365 0.988089 0.580456 0.305098    0.0865603   -0.180213   13  GLY   A N    
2    C CA   . GLY   A 1   ? 0.649784 0.944362 0.61268  0.30211     0.0587249   -0.189787   13  GLY   A CA   
3    C C    . GLY   A 1   ? 0.632002 0.893681 0.555101 0.282498    0.0522867   -0.177981   13  GLY   A C    
4    O O    . GLY   A 1   ? 0.635443 0.922122 0.520385 0.27375     0.0668619   -0.164245   13  GLY   A O    
5    H H1   . GLY   A 1   ? 0.634852 1.01692  0.618538 0.316083    0.0892932   -0.186231   13  GLY   A H1   
6    H H2   . GLY   A 1   ? 0.615541 0.982697 0.564176 0.284641    0.0936254   -0.153774   13  GLY   A H2   
7    H H3   . GLY   A 1   ? 0.65761  1.04101  0.586903 0.316326    0.0941962   -0.194257   13  GLY   A H3   
8    H HA2  . GLY   A 1   ? 0.663326 0.951342 0.633924 0.323482    0.0502569   -0.218961   13  GLY   A HA2  
9    H HA3  . GLY   A 1   ? 0.618764 0.895205 0.609213 0.292131    0.051196    -0.175238   13  GLY   A HA3  
10   N N    . ALA   A 2   ? 0.603988 0.80932  0.539528 0.275576    0.0293638   -0.181502   14  ALA   A N    
11   C CA   . ALA   A 2   ? 0.616427 0.79177  0.522652 0.259439    0.0213022   -0.17312    14  ALA   A CA   
12   C C    . ALA   A 2   ? 0.580068 0.764162 0.468686 0.231887    0.0356102   -0.134085   14  ALA   A C    
13   O O    . ALA   A 2   ? 0.5754   0.761383 0.429981 0.224801    0.0390073   -0.125821   14  ALA   A O    
14   C CB   . ALA   A 2   ? 0.62474  0.743933 0.557451 0.253787    -0.00322078 -0.178894   14  ALA   A CB   
15   H H    . ALA   A 2   ? 0.611404 0.798079 0.575621 0.280841    0.0185947   -0.187967   14  ALA   A H    
16   H HA   . ALA   A 2   ? 0.638723 0.826784 0.520171 0.271561    0.0219699   -0.190734   14  ALA   A HA   
17   H HB1  . ALA   A 2   ? 0.643284 0.753906 0.583197 0.270486    -0.0137688  -0.205249   14  ALA   A HB1  
18   H HB2  . ALA   A 2   ? 0.602942 0.713059 0.560565 0.246652    -0.00483015 -0.165665   14  ALA   A HB2  
19   H HB3  . ALA   A 2   ? 0.611621 0.713183 0.530685 0.240442    -0.00732213 -0.169194   14  ALA   A HB3  
20   N N    . PRO   A 3   ? 0.490817 0.678449 0.402502 0.2153      0.0421762   -0.109143   15  PRO   A N    
21   C CA   . PRO   A 3   ? 0.498288 0.692085 0.396181 0.190134    0.0543024   -0.0770701  15  PRO   A CA   
22   C C    . PRO   A 3   ? 0.524427 0.763952 0.394359 0.191666    0.0748587   -0.067634   15  PRO   A C    
23   O O    . PRO   A 3   ? 0.543309 0.775809 0.388048 0.177295    0.0788546   -0.0486912  15  PRO   A O    
24   C CB   . PRO   A 3   ? 0.499891 0.692942 0.429933 0.176072    0.0543154   -0.0602536  15  PRO   A CB   
25   C CG   . PRO   A 3   ? 0.501398 0.670527 0.461226 0.190234    0.0363046   -0.0782566  15  PRO   A CG   
26   C CD   . PRO   A 3   ? 0.524338 0.700678 0.477312 0.21774     0.0329699   -0.10997    15  PRO   A CD   
27   H HA   . PRO   A 3   ? 0.493856 0.659398 0.381944 0.180732    0.0467557   -0.0724039  15  PRO   A HA   
28   H HB2  . PRO   A 3   ? 0.49432  0.721015 0.430956 0.17674     0.0660209   -0.0542272  15  PRO   A HB2  
29   H HB3  . PRO   A 3   ? 0.479101 0.653254 0.405943 0.158088    0.0526958   -0.0447225  15  PRO   A HB3  
30   H HG2  . PRO   A 3   ? 0.493702 0.677254 0.475588 0.190939    0.0374024   -0.0732474  15  PRO   A HG2  
31   H HG3  . PRO   A 3   ? 0.491373 0.627586 0.452919 0.180666    0.0256876   -0.0739458  15  PRO   A HG3  
32   H HD2  . PRO   A 3   ? 0.524034 0.729043 0.489206 0.231565    0.0394155   -0.118617   15  PRO   A HD2  
33   H HD3  . PRO   A 3   ? 0.520357 0.6665   0.483654 0.222771    0.0181042   -0.121659   15  PRO   A HD3  
34   N N    . ALA   A 4   ? 0.538755 0.825556 0.413592 0.209891    0.0877542   -0.0799712  16  ALA   A N    
35   C CA   . ALA   A 4   ? 0.546676 0.885123 0.395336 0.211544    0.110018    -0.0690021  16  ALA   A CA   
36   C C    . ALA   A 4   ? 0.64672  0.981373 0.448891 0.221604    0.106404    -0.0795805  16  ALA   A C    
37   O O    . ALA   A 4   ? 0.710821 1.0661   0.482768 0.211946    0.118656    -0.0565583  16  ALA   A O    
38   C CB   . ALA   A 4   ? 0.580652 0.976361 0.447245 0.233373    0.125399    -0.0858136  16  ALA   A CB   
39   H H    . ALA   A 4   ? 0.536229 0.824758 0.432558 0.221912    0.0830292   -0.0948355  16  ALA   A H    
40   H HA   . ALA   A 4   ? 0.552338 0.893495 0.402946 0.191616    0.117392    -0.0427273  16  ALA   A HA   
41   H HB1  . ALA   A 4   ? 0.556512 0.956756 0.454541 0.226986    0.12616     -0.0778732  16  ALA   A HB1  
42   H HB2  . ALA   A 4   ? 0.590237 0.980815 0.456477 0.253888    0.117425    -0.113766   16  ALA   A HB2  
43   H HB3  . ALA   A 4   ? 0.591959 1.02592  0.440327 0.233361    0.142055    -0.0765868  16  ALA   A HB3  
44   N N    . THR   A 5   ? 0.617672 0.927841 0.415288 0.241234    0.0882331   -0.113983   17  THR   A N    
45   C CA   . THR   A 5   ? 0.65432  0.960747 0.409392 0.250711    0.0801325   -0.127087   17  THR   A CA   
46   C C    . THR   A 5   ? 0.582085 0.852651 0.323936 0.22686     0.071932    -0.0977397  17  THR   A C    
47   O O    . THR   A 5   ? 0.692754 0.974087 0.396231 0.226321    0.0729842   -0.0874505  17  THR   A O    
48   C CB   . THR   A 5   ? 0.691257 0.972435 0.452991 0.273349    0.0581798   -0.171653   17  THR   A CB   
49   O OG1  . THR   A 5   ? 0.704574 1.02387  0.47964  0.296936    0.0690632   -0.197089   17  THR   A OG1  
50   C CG2  . THR   A 5   ? 0.705993 0.98583  0.423601 0.283179    0.0460224   -0.188848   17  THR   A CG2  
51   H H    . THR   A 5   ? 0.620912 0.916651 0.443662 0.248519    0.0795857   -0.129167   17  THR   A H    
52   H HA   . THR   A 5   ? 0.67     1.01681  0.401023 0.258253    0.0943357   -0.125777   17  THR   A HA   
53   H HB   . THR   A 5   ? 0.660838 0.904072 0.449318 0.265647    0.0449136   -0.171443   17  THR   A HB   
55   H HG21 . THR   A 5   ? 0.731566 1.00533  0.452947 0.300202    0.0347022   -0.221358   17  THR   A HG21 
56   H HG22 . THR   A 5   ? 0.732528 1.04908  0.419547 0.286245    0.0597945   -0.180416   17  THR   A HG22 
57   H HG23 . THR   A 5   ? 0.697838 0.94743  0.41507  0.269475    0.0351134   -0.175781   17  THR   A HG23 
58   N N    . VAL   A 6   ? 0.587731 0.816737 0.360602 0.208727    0.0628452   -0.0849313  18  VAL   A N    
59   C CA   . VAL   A 6   ? 0.528006 0.725057 0.292851 0.18926     0.0561244   -0.0615087  18  VAL   A CA   
60   C C    . VAL   A 6   ? 0.602458 0.821399 0.355986 0.172037    0.0748294   -0.0247488  18  VAL   A C    
61   O O    . VAL   A 6   ? 0.618944 0.832687 0.347934 0.166043    0.073527    -0.0069311  18  VAL   A O    
62   C CB   . VAL   A 6   ? 0.514876 0.665618 0.313586 0.174984    0.0432296   -0.0593637  18  VAL   A CB   
63   C CG1  . VAL   A 6   ? 0.48404  0.607545 0.274946 0.157867    0.0387891   -0.0378739  18  VAL   A CG1  
64   C CG2  . VAL   A 6   ? 0.511501 0.637562 0.327532 0.188376    0.0240395   -0.0901743  18  VAL   A CG2  
65   H H    . VAL   A 6   ? 0.551885 0.773318 0.351164 0.209157    0.0606878   -0.090929   18  VAL   A H    
66   H HA   . VAL   A 6   ? 0.572119 0.764591 0.316454 0.196757    0.0471828   -0.0705564  18  VAL   A HA   
67   H HB   . VAL   A 6   ? 0.490032 0.646648 0.306783 0.167307    0.0508921   -0.0500679  18  VAL   A HB   
68   H HG11 . VAL   A 6   ? 0.510571 0.639064 0.279313 0.164608    0.0348863   -0.0399319  18  VAL   A HG11 
69   H HG12 . VAL   A 6   ? 0.484199 0.613347 0.276996 0.145546    0.0492299   -0.0176976  18  VAL   A HG12 
70   H HG13 . VAL   A 6   ? 0.475394 0.571769 0.283173 0.15282     0.0289457   -0.0424177  18  VAL   A HG13 
71   H HG21 . VAL   A 6   ? 0.493357 0.593192 0.329152 0.177575    0.0175552   -0.0845847  18  VAL   A HG21 
72   H HG22 . VAL   A 6   ? 0.520158 0.660923 0.345294 0.199911    0.0264774   -0.103634   18  VAL   A HG22 
73   H HG23 . VAL   A 6   ? 0.530398 0.652718 0.330186 0.19606     0.0152137   -0.101797   18  VAL   A HG23 
74   N N    . THR   A 7   ? 0.602718 0.84546  0.377717 0.163084    0.0905987   -0.0114257  19  THR   A N    
75   C CA   . THR   A 7   ? 0.657837 0.927214 0.425595 0.146723    0.108935    0.0226245   19  THR   A CA   
76   C C    . THR   A 7   ? 0.721026 1.02524  0.444809 0.156937    0.118033    0.0309778   19  THR   A C    
77   O O    . THR   A 7   ? 0.695475 0.995439 0.403345 0.142947    0.121646    0.061862    19  THR   A O    
78   C CB   . THR   A 7   ? 0.667323 0.974135 0.464382 0.14207     0.124914    0.0280453   19  THR   A CB   
79   O OG1  . THR   A 7   ? 0.544652 0.818559 0.376558 0.129533    0.114432    0.0263079   19  THR   A OG1  
80   C CG2  . THR   A 7   ? 0.737522 1.07526  0.534571 0.122328    0.144252    0.0644646   19  THR   A CG2  
81   H H    . THR   A 7   ? 0.596226 0.838646 0.393075 0.166543    0.0889696   -0.0226392  19  THR   A H    
82   H HA   . THR   A 7   ? 0.643947 0.885408 0.418137 0.130959    0.104566    0.0384855   19  THR   A HA   
83   H HB   . THR   A 7   ? 0.663997 0.99747  0.460038 0.159595    0.128823    0.00934256  19  THR   A HB   
85   H HG21 . THR   A 7   ? 0.703958 1.05459  0.528441 0.113901    0.14978     0.0690543   19  THR   A HG21 
86   H HG22 . THR   A 7   ? 0.718885 1.0292   0.51062  0.108683    0.139503    0.0812516   19  THR   A HG22 
87   H HG23 . THR   A 7   ? 0.744057 1.11703  0.520532 0.131547    0.155417    0.0667736   19  THR   A HG23 
88   N N    . GLU   A 8   ? 0.722506 1.05827  0.425118 0.182318    0.119421    0.00250286  20  GLU   A N    
89   C CA   . GLU   A 8   ? 0.815744 1.1967   0.47167  0.19387     0.130671    0.00830787  20  GLU   A CA   
90   C C    . GLU   A 8   ? 0.755703 1.11571  0.372461 0.204819    0.110648    -0.00286485 20  GLU   A C    
91   O O    . GLU   A 8   ? 0.831033 1.21921  0.405112 0.208324    0.115761    0.0129663   20  GLU   A O    
92   C CB   . GLU   A 8   ? 0.871542 1.30526  0.526455 0.217839    0.144534    -0.0218983  20  GLU   A CB   
93   H H    . GLU   A 8   ? 0.727686 1.05723  0.444826 0.193252    0.112892    -0.02185    20  GLU   A H    
94   H HA   . GLU   A 8   ? 0.801805 1.19782  0.454337 0.179301    0.143245    0.0395369   20  GLU   A HA   
97   N N    . GLN   A 9   ? 0.735289 1.05373  0.364292 0.213402    0.0870709   -0.033698   21  GLN   A N    
98   C CA   . GLN   A 9   ? 0.805844 1.10973  0.40287  0.224295    0.0658849   -0.047998   21  GLN   A CA   
99   C C    . GLN   A 9   ? 0.716319 0.964615 0.333868 0.208444    0.0465988   -0.0348303  21  GLN   A C    
100  O O    . GLN   A 9   ? 0.743332 0.979064 0.341254 0.215373    0.0270142   -0.0434961  21  GLN   A O    
101  C CB   . GLN   A 9   ? 0.908883 1.20452  0.508136 0.247001    0.0477256   -0.0990352  21  GLN   A CB   
102  C CG   . GLN   A 9   ? 1.00978  1.3468   0.607113 0.268602    0.061024    -0.130144   21  GLN   A CG   
103  C CD   . GLN   A 9   ? 1.00863  1.40675  0.552619 0.281499    0.0775679   -0.126779   21  GLN   A CD   
104  O OE1  . GLN   A 9   ? 1.16907  1.57309  0.671487 0.279676    0.0702939   -0.111596   21  GLN   A OE1  
105  N NE2  . GLN   A 9   ? 1.14069  1.58763  0.685955 0.295226    0.0997646   -0.139794   21  GLN   A NE2  
106  H H    . GLN   A 9   ? 0.720767 1.02105  0.379671 0.212128    0.0833513   -0.0455083  21  GLN   A H    
107  H HA   . GLN   A 9   ? 0.830951 1.16315  0.393329 0.227425    0.0721728   -0.0347299  21  GLN   A HA   
108  H HB2  . GLN   A 9   ? 0.86964  1.12932  0.500784 0.240808    0.0369125   -0.105662   21  GLN   A HB2  
109  H HB3  . GLN   A 9   ? 0.92577  1.22168  0.498459 0.254144    0.0350912   -0.107      21  GLN   A HB3  
110  H HG2  . GLN   A 9   ? 0.95316  1.29394  0.577859 0.261974    0.0732878   -0.120763   21  GLN   A HG2  
111  H HG3  . GLN   A 9   ? 0.983482 1.30461  0.589676 0.28132     0.0462199   -0.162802   21  GLN   A HG3  
112  H HE21 . GLN   A 9   ? 1.13149  1.62004  0.646426 0.300851    0.113678    -0.1334     21  GLN   A HE21 
113  H HE22 . GLN   A 9   ? 1.08261  1.52255  0.659671 0.299185    0.100959    -0.154265   21  GLN   A HE22 
114  N N    . GLY   A 10  ? 0.654616 0.872251 0.313989 0.189771    0.0503534   -0.0206911  22  GLY   A N    
115  C CA   . GLY   A 10  ? 0.59475  0.763111 0.278536 0.178516    0.0333543   -0.0183179  22  GLY   A CA   
116  C C    . GLY   A 10  ? 0.671237 0.828939 0.339617 0.168323    0.0304255   0.0137722   22  GLY   A C    
117  O O    . GLY   A 10  ? 0.647929 0.823722 0.304905 0.159       0.0460505   0.0444596   22  GLY   A O    
118  H H    . GLY   A 10  ? 0.641197 0.871851 0.313349 0.184279    0.0638487   -0.0129173  22  GLY   A H    
119  H HA2  . GLY   A 10  ? 0.619119 0.776431 0.304474 0.188179    0.0187677   -0.0417113  22  GLY   A HA2  
120  H HA3  . GLY   A 10  ? 0.588343 0.741735 0.299587 0.168083    0.0376927   -0.0145023  22  GLY   A HA3  
121  N N    . GLU   A 11  ? 0.624149 0.752663 0.298341 0.170031    0.00984007  0.00650961  23  GLU   A N    
122  C CA   . GLU   A 11  ? 0.601424 0.710366 0.27453  0.161845    0.00260092  0.0336742   23  GLU   A CA   
123  C C    . GLU   A 11  ? 0.525045 0.601563 0.235282 0.142083    0.0104085   0.0513147   23  GLU   A C    
124  O O    . GLU   A 11  ? 0.472964 0.531216 0.212542 0.136776    0.00994131  0.0345911   23  GLU   A O    
125  C CB   . GLU   A 11  ? 0.692959 0.789676 0.364606 0.173176    -0.0229326  0.0138995   23  GLU   A CB   
126  C CG   . GLU   A 11  ? 0.781504 0.851044 0.469873 0.166376    -0.0341371  0.0343838   23  GLU   A CG   
127  C CD   . GLU   A 11  ? 0.946859 1.01448  0.633768 0.178533    -0.0607004  0.0165145   23  GLU   A CD   
128  O OE1  . GLU   A 11  ? 1.00715  1.09669  0.669834 0.192017    -0.0707173  -0.00834444 23  GLU   A OE1  
129  O OE2  . GLU   A 11  ? 1.10184  1.14887  0.812586 0.175684    -0.0725942  0.0254163   23  GLU   A OE2  
130  H H    . GLU   A 11  ? 0.621871 0.742455 0.304402 0.177036    -0.00086455 -0.0169509  23  GLU   A H    
131  H HA   . GLU   A 11  ? 0.637655 0.766452 0.28552  0.162983    0.00865256  0.0528218   23  GLU   A HA   
132  H HB2  . GLU   A 11  ? 0.720687 0.840348 0.36221  0.184712    -0.0280158  0.00805052  23  GLU   A HB2  
133  H HB3  . GLU   A 11  ? 0.670762 0.756488 0.362231 0.174493    -0.0284015  -0.00858806 23  GLU   A HB3  
134  H HG2  . GLU   A 11  ? 0.754831 0.802557 0.472747 0.156485    -0.0299224  0.0348894   23  GLU   A HG2  
135  H HG3  . GLU   A 11  ? 0.805586 0.881234 0.478743 0.163743    -0.0287697  0.0596442   23  GLU   A HG3  
136  N N    . ASP   A 12  ? 0.540858 0.611845 0.24755  0.131632    0.0170542   0.0856013   24  ASP   A N    
137  C CA   . ASP   A 12  ? 0.50634  0.544827 0.246983 0.113988    0.0225191   0.0989011   24  ASP   A CA   
138  C C    . ASP   A 12  ? 0.495271 0.501884 0.254797 0.11668     0.00595667  0.0947022   24  ASP   A C    
139  O O    . ASP   A 12  ? 0.571968 0.577022 0.318624 0.124085    -0.00533201 0.110195    24  ASP   A O    
140  C CB   . ASP   A 12  ? 0.546391 0.587775 0.28239  0.101236    0.0345287   0.135657    24  ASP   A CB   
141  C CG   . ASP   A 12  ? 0.489757 0.496183 0.261463 0.0826618   0.0390543   0.145828    24  ASP   A CG   
142  O OD1  . ASP   A 12  ? 0.489067 0.471447 0.284079 0.0817979   0.033025    0.124773    24  ASP   A OD1  
143  O OD2  . ASP   A 12  ? 0.512912 0.51676  0.288589 0.0690236   0.0478586   0.175659    24  ASP   A OD2  
144  H H    . ASP   A 12  ? 0.566436 0.653671 0.249416 0.135658    0.0175754   0.100297    24  ASP   A H    
145  H HA   . ASP   A 12  ? 0.48762  0.523863 0.243916 0.108889    0.0282424   0.0862189   24  ASP   A HA   
146  H HB2  . ASP   A 12  ? 0.537921 0.605399 0.262833 0.0997664   0.0459496   0.139185    24  ASP   A HB2  
147  H HB3  . ASP   A 12  ? 0.558827 0.601348 0.279244 0.106445    0.0278781   0.150899    24  ASP   A HB3  
148  N N    . ILE   A 13  ? 0.485257 0.474144 0.272645 0.113474    0.00331592  0.0721976   25  ILE   A N    
149  C CA   . ILE   A 13  ? 0.515233 0.48281  0.324688 0.117403    -0.0107159  0.0630765   25  ILE   A CA   
150  C C    . ILE   A 13  ? 0.546487 0.485075 0.385503 0.105111    -0.00416064 0.0718098   25  ILE   A C    
151  O O    . ILE   A 13  ? 0.533583 0.457066 0.397307 0.107617    -0.0116434  0.0619238   25  ILE   A O    
152  C CB   . ILE   A 13  ? 0.484371 0.454849 0.306449 0.122618    -0.0192941  0.0330102   25  ILE   A CB   
153  C CG1  . ILE   A 13  ? 0.471107 0.437063 0.308975 0.111991    -0.00765618 0.0226043   25  ILE   A CG1  
154  C CG2  . ILE   A 13  ? 0.562964 0.557718 0.357997 0.137268    -0.0300729  0.0191924   25  ILE   A CG2  
155  C CD1  . ILE   A 13  ? 0.498114 0.457521 0.359118 0.112272    -0.0155944  0.00102595  25  ILE   A CD1  
156  H H    . ILE   A 13  ? 0.470977 0.463111 0.264972 0.108596    0.0106316   0.0635545   25  ILE   A H    
157  H HA   . ILE   A 13  ? 0.533585 0.505218 0.331508 0.125429    -0.0201695  0.0711835   25  ILE   A HA   
158  H HB   . ILE   A 13  ? 0.49495  0.454454 0.334797 0.12381     -0.0272805  0.0291641   25  ILE   A HB   
159  H HG12 . ILE   A 13  ? 0.481327 0.461695 0.304816 0.113297    -0.00195662 0.0222719   25  ILE   A HG12 
160  H HG13 . ILE   A 13  ? 0.470891 0.425032 0.319243 0.102567    0.00020783  0.03175     25  ILE   A HG13 
161  H HG21 . ILE   A 13  ? 0.53464  0.526593 0.342647 0.139833    -0.0380761  0.00072546  25  ILE   A HG21 
162  H HG22 . ILE   A 13  ? 0.549723 0.558439 0.329066 0.137518    -0.0209942  0.0202333   25  ILE   A HG22 
163  H HG23 . ILE   A 13  ? 0.566997 0.567188 0.348297 0.144056    -0.0385757  0.0273144   25  ILE   A HG23 
164  H HD11 . ILE   A 13  ? 0.48113  0.431725 0.356872 0.11236     -0.0215064  0.00048731  25  ILE   A HD11 
165  H HD12 . ILE   A 13  ? 0.467368 0.422441 0.338286 0.104082    -0.00770007 -0.00067836 25  ILE   A HD12 
166  H HD13 . ILE   A 13  ? 0.490302 0.459548 0.343186 0.120414    -0.0231845  -0.0104484  25  ILE   A HD13 
167  N N    . THR   A 14  ? 0.511699 0.443858 0.350406 0.092713    0.0085804   0.0897895   26  THR   A N    
168  C CA   . THR   A 14  ? 0.512791 0.415159 0.378386 0.0819648   0.0128485   0.0950888   26  THR   A CA   
169  C C    . THR   A 14  ? 0.55561  0.439705 0.427154 0.0883305   0.00323321  0.115879    26  THR   A C    
170  O O    . THR   A 14  ? 0.564159 0.460935 0.412139 0.0946208   -0.00206349 0.138185    26  THR   A O    
171  C CB   . THR   A 14  ? 0.485112 0.385155 0.35424  0.0643162   0.0269806   0.103219    26  THR   A CB   
172  O OG1  . THR   A 14  ? 0.507874 0.420841 0.35832  0.0622515   0.0303137   0.131319    26  THR   A OG1  
173  C CG2  . THR   A 14  ? 0.461457 0.379739 0.328357 0.0590902   0.0343369   0.0851926   26  THR   A CG2  
174  H H    . THR   A 14  ? 0.528403 0.475993 0.351185 0.0908194   0.014636    0.0977507   26  THR   A H    
175  H HA   . THR   A 14  ? 0.493523 0.388913 0.374602 0.0823226   0.0115782   0.078374    26  THR   A HA   
176  H HB   . THR   A 14  ? 0.492405 0.370594 0.379867 0.0578302   0.028003    0.102746    26  THR   A HB   
178  H HG21 . THR   A 14  ? 0.460014 0.37814  0.33159  0.0476949   0.041629    0.0906793   26  THR   A HG21 
179  H HG22 . THR   A 14  ? 0.460253 0.39885  0.31135  0.0663297   0.0335224   0.0838629   26  THR   A HG22 
180  H HG23 . THR   A 14  ? 0.444021 0.354844 0.321916 0.0600572   0.0320115   0.0695947   26  THR   A HG23 
181  N N    . SER   A 15  ? 0.612561 0.468863 0.51536  0.0881265   0.00065463  0.108957    27  SER   A N    
182  C CA   . SER   A 15  ? 0.663352 0.495901 0.581038 0.0944576   -0.00883019 0.129019    27  SER   A CA   
183  C C    . SER   A 15  ? 0.632569 0.450521 0.546494 0.0817532   -0.00296948 0.158436    27  SER   A C    
184  O O    . SER   A 15  ? 0.699296 0.51102  0.606971 0.0866617   -0.011577   0.188634    27  SER   A O    
185  C CB   . SER   A 15  ? 0.668537 0.477126 0.624849 0.0983047   -0.0101873  0.109375    27  SER   A CB   
186  O OG   . SER   A 15  ? 0.658243 0.487101 0.618709 0.10938     -0.0166875  0.089258    27  SER   A OG   
187  H H    . SER   A 15  ? 0.580821 0.433576 0.496475 0.0847426   0.00485957  0.0915589   27  SER   A H    
188  H HA   . SER   A 15  ? 0.660612 0.504642 0.566934 0.105456    -0.0192135  0.136341    27  SER   A HA   
189  H HB2  . SER   A 15  ? 0.657652 0.458257 0.621766 0.0882005   -0.00044914 0.0980561   27  SER   A HB2  
190  H HB3  . SER   A 15  ? 0.69233  0.48273  0.662743 0.10359     -0.016851   0.121762    27  SER   A HB3  
192  N N    . LYS   A 16  ? 0.611325 0.424538 0.531181 0.0642953   0.0103858   0.151811    28  LYS   A N    
193  C CA   . LYS   A 16  ? 0.680705 0.481884 0.60362  0.0480167   0.0162691   0.179369    28  LYS   A CA   
194  C C    . LYS   A 16  ? 0.683658 0.519247 0.57397  0.0444003   0.0219772   0.206546    28  LYS   A C    
195  O O    . LYS   A 16  ? 0.678847 0.508089 0.572585 0.0314027   0.0260013   0.237405    28  LYS   A O    
196  C CB   . LYS   A 16  ? 0.687639 0.476979 0.6295   0.0298766   0.0263551   0.160705    28  LYS   A CB   
197  C CG   . LYS   A 16  ? 0.774092 0.522299 0.750532 0.0301926   0.0219146   0.142296    28  LYS   A CG   
198  C CD   . LYS   A 16  ? 0.831099 0.57577  0.818016 0.0168354   0.0299935   0.112491    28  LYS   A CD   
199  C CE   . LYS   A 16  ? 0.917762 0.619674 0.937885 0.0150521   0.0261147   0.0982866   28  LYS   A CE   
200  N NZ   . LYS   A 16  ? 0.920294 0.622814 0.944908 0.0059094   0.0325957   0.0638339   28  LYS   A NZ   
201  H H    . LYS   A 16  ? 0.599011 0.417239 0.522498 0.0615669   0.0152058   0.131017    28  LYS   A H    
202  H HA   . LYS   A 16  ? 0.700738 0.477211 0.638851 0.0506281   0.00920725  0.192919    28  LYS   A HA   
203  H HB2  . LYS   A 16  ? 0.670166 0.47913  0.602493 0.0302168   0.0309193   0.142681    28  LYS   A HB2  
204  H HB3  . LYS   A 16  ? 0.711535 0.502351 0.653436 0.0171576   0.031132    0.177793    28  LYS   A HB3  
205  H HG2  . LYS   A 16  ? 0.801812 0.526742 0.792145 0.026179    0.0180421   0.160126    28  LYS   A HG2  
206  H HG3  . LYS   A 16  ? 0.764734 0.511941 0.74428  0.0442689   0.0165049   0.132421    28  LYS   A HG3  
207  H HD2  . LYS   A 16  ? 0.799728 0.561027 0.778147 0.0229051   0.0322032   0.0941942   28  LYS   A HD2  
208  H HD3  . LYS   A 16  ? 0.824717 0.579603 0.806101 0.00350268  0.034975    0.120283    28  LYS   A HD3  
209  H HE2  . LYS   A 16  ? 0.934283 0.617287 0.965683 0.00613496  0.0235807   0.115758    28  LYS   A HE2  
210  H HE3  . LYS   A 16  ? 0.911625 0.604161 0.94067  0.0294074   0.0209998   0.0946005   28  LYS   A HE3  
211  H HZ1  . LYS   A 16  ? 0.913418 0.622543 0.93364  -0.0077979  0.0354731   0.0673881   28  LYS   A HZ1  
212  H HZ2  . LYS   A 16  ? 0.890191 0.611918 0.903773 0.0124489   0.0355987   0.0510001   28  LYS   A HZ2  
213  H HZ3  . LYS   A 16  ? 0.932504 0.610759 0.975806 0.00742136  0.0303221   0.0517188   28  LYS   A HZ3  
214  N N    . LYS   A 17  ? 0.632736 0.505823 0.493202 0.0554326   0.0228768   0.195305    29  LYS   A N    
215  C CA   . LYS   A 17  ? 0.673244 0.585466 0.500394 0.0550793   0.0304333   0.21515     29  LYS   A CA   
216  C C    . LYS   A 17  ? 0.672507 0.596507 0.508981 0.0345019   0.0471081   0.221846    29  LYS   A C    
217  O O    . LYS   A 17  ? 0.647425 0.589558 0.474551 0.0249659   0.055747    0.252865    29  LYS   A O    
218  C CB   . LYS   A 17  ? 0.747498 0.664845 0.553182 0.0623475   0.022633    0.251652    29  LYS   A CB   
219  C CG   . LYS   A 17  ? 0.769498 0.688819 0.562056 0.0845297   0.00439452  0.239149    29  LYS   A CG   
220  C CD   . LYS   A 17  ? 0.805145 0.764523 0.565118 0.0980513   0.00337077  0.214114    29  LYS   A CD   
221  C CE   . LYS   A 17  ? 0.927747 0.893055 0.674375 0.118328    -0.017815   0.203273    29  LYS   A CE   
222  N NZ   . LYS   A 17  ? 0.86792  0.816396 0.645649 0.120975    -0.0228129  0.166549    29  LYS   A NZ   
223  H H    . LYS   A 17  ? 0.62465  0.499745 0.486602 0.0635056   0.0189803   0.17364     29  LYS   A H    
224  H HA   . LYS   A 17  ? 0.657547 0.591029 0.468949 0.0648329   0.0295384   0.196925    29  LYS   A HA   
225  H HB2  . LYS   A 17  ? 0.765694 0.656898 0.589916 0.0545724   0.0205099   0.271069    29  LYS   A HB2  
226  H HB3  . LYS   A 17  ? 0.757638 0.704784 0.540318 0.0603566   0.0308092   0.264826    29  LYS   A HB3  
227  H HG2  . LYS   A 17  ? 0.758144 0.653648 0.575646 0.0866225   -0.00136911 0.222565    29  LYS   A HG2  
228  H HG3  . LYS   A 17  ? 0.808802 0.725213 0.592555 0.0885233   -0.00308869 0.264417    29  LYS   A HG3  
229  H HD2  . LYS   A 17  ? 0.831727 0.81744  0.567526 0.0962145   0.011667    0.227265    29  LYS   A HD2  
230  H HD3  . LYS   A 17  ? 0.783751 0.742495 0.555753 0.0948866   0.0088257   0.190256    29  LYS   A HD3  
231  H HE2  . LYS   A 17  ? 0.92061  0.872298 0.671311 0.121339    -0.0271945  0.223468    29  LYS   A HE2  
232  H HE3  . LYS   A 17  ? 0.906605 0.900834 0.623333 0.125918    -0.0187786  0.199105    29  LYS   A HE3  
233  H HZ1  . LYS   A 17  ? 0.861961 0.787239 0.664906 0.113639    -0.0192577  0.16775     29  LYS   A HZ1  
234  H HZ2  . LYS   A 17  ? 0.852446 0.814008 0.624802 0.119679    -0.0165331  0.149187    29  LYS   A HZ2  
235  H HZ3  . LYS   A 17  ? 0.876903 0.826294 0.654983 0.131298    -0.0361141  0.160211    29  LYS   A HZ3  
236  N N    . ASP   A 18  ? 0.609829 0.528848 0.464144 0.0280989   0.0511191   0.193084    30  ASP   A N    
237  C CA   . ASP   A 18  ? 0.62229  0.554416 0.490022 0.00938329  0.0634755   0.193396    30  ASP   A CA   
238  C C    . ASP   A 18  ? 0.56408  0.537339 0.417327 0.0155157   0.0710022   0.174094    30  ASP   A C    
239  O O    . ASP   A 18  ? 0.538499 0.524446 0.40708  0.00240284  0.0786337   0.168237    30  ASP   A O    
240  C CB   . ASP   A 18  ? 0.553441 0.44968  0.453553 -0.00434675 0.0607151   0.177053    30  ASP   A CB   
241  C CG   . ASP   A 18  ? 0.498862 0.384083 0.40189  0.0059178   0.0548522   0.142052    30  ASP   A CG   
242  O OD1  . ASP   A 18  ? 0.454447 0.363519 0.338639 0.0200957   0.0539229   0.129544    30  ASP   A OD1  
243  O OD2  . ASP   A 18  ? 0.572756 0.427731 0.49678  -0.00033032 0.0515977   0.127961    30  ASP   A OD2  
244  H H    . ASP   A 18  ? 0.602939 0.512081 0.461642 0.0356171   0.0453466   0.172838    30  ASP   A H    
245  H HA   . ASP   A 18  ? 0.625618 0.564472 0.49338  0.00045809  0.0685987   0.218479    30  ASP   A HA   
246  H HB2  . ASP   A 18  ? 0.555483 0.46252  0.464654 -0.0174695  0.0670792   0.177993    30  ASP   A HB2  
247  H HB3  . ASP   A 18  ? 0.582379 0.451624 0.494956 -0.00808853 0.0561963   0.189251    30  ASP   A HB3  
248  N N    . ARG   A 19  ? 0.548151 0.541952 0.374926 0.0356888   0.0670557   0.163313    31  ARG   A N    
249  C CA   . ARG   A 19  ? 0.533892 0.563231 0.348804 0.0454372   0.0721016   0.143137    31  ARG   A CA   
250  C C    . ARG   A 19  ? 0.497042 0.515086 0.334026 0.0406425   0.0701291   0.117372    31  ARG   A C    
251  O O    . ARG   A 19  ? 0.497635 0.541332 0.333865 0.0460619   0.0738771   0.10309     31  ARG   A O    
252  C CB   . ARG   A 19  ? 0.543771 0.619456 0.347462 0.0424051   0.0878327   0.159501    31  ARG   A CB   
253  C CG   . ARG   A 19  ? 0.591432 0.686282 0.363526 0.0506369   0.0898065   0.183474    31  ARG   A CG   
254  C CD   . ARG   A 19  ? 0.62242  0.772304 0.380832 0.048143    0.109255    0.201468    31  ARG   A CD   
255  N NE   . ARG   A 19  ? 0.581334 0.764158 0.342591 0.0588546   0.115904    0.172179    31  ARG   A NE   
256  C CZ   . ARG   A 19  ? 0.63039  0.837733 0.366908 0.081714    0.11395     0.147853    31  ARG   A CZ   
257  N NH1  . ARG   A 19  ? 0.656271 0.863712 0.358026 0.0971827   0.104552    0.145918    31  ARG   A NH1  
258  N NH2  . ARG   A 19  ? 0.657953 0.892298 0.405389 0.0906003   0.120197    0.123763    31  ARG   A NH2  
259  H H    . ARG   A 19  ? 0.56506  0.549542 0.382472 0.0442072   0.059678    0.167884    31  ARG   A H    
260  H HA   . ARG   A 19  ? 0.533798 0.567312 0.332337 0.0599648   0.06534     0.133802    31  ARG   A HA   
261  H HB2  . ARG   A 19  ? 0.548274 0.622651 0.369918 0.0266766   0.0941803   0.171657    31  ARG   A HB2  
262  H HB3  . ARG   A 19  ? 0.533492 0.630045 0.333881 0.0507712   0.0902276   0.142319    31  ARG   A HB3  
263  H HG2  . ARG   A 19  ? 0.592635 0.689075 0.34683  0.0661524   0.0815995   0.169334    31  ARG   A HG2  
264  H HG3  . ARG   A 19  ? 0.607232 0.67904  0.385021 0.0426974   0.0861136   0.202628    31  ARG   A HG3  
265  H HD2  . ARG   A 19  ? 0.64352  0.80956  0.374905 0.0565556   0.109879    0.21323     31  ARG   A HD2  
266  H HD3  . ARG   A 19  ? 0.622133 0.770427 0.398555 0.0310023   0.116425    0.221659    31  ARG   A HD3  
267  H HE   . ARG   A 19  ? 0.58085  0.766495 0.363953 0.0494386   0.120638    0.170334    31  ARG   A HE   
268  H HH11 . ARG   A 19  ? 0.652928 0.830914 0.355214 0.0978805   0.0921821   0.144136    31  ARG   A HH11 
269  H HH12 . ARG   A 19  ? 0.677544 0.916366 0.355792 0.107059    0.110388    0.145786    31  ARG   A HH12 
270  H HH21 . ARG   A 19  ? 0.630941 0.8756   0.399049 0.0810469   0.127913    0.128394    31  ARG   A HH21 
271  H HH22 . ARG   A 19  ? 0.643731 0.885391 0.3794   0.106403    0.115657    0.102858    31  ARG   A HH22 
272  N N    . GLY   A 20  ? 0.45264  0.434284 0.306629 0.0347943   0.0627548   0.108872    32  GLY   A N    
273  C CA   . GLY   A 20  ? 0.461385 0.435812 0.331135 0.0293839   0.0613154   0.087415    32  GLY   A CA   
274  C C    . GLY   A 20  ? 0.426257 0.405979 0.290613 0.0440545   0.0544282   0.065661    32  GLY   A C    
275  O O    . GLY   A 20  ? 0.42774  0.409541 0.30181  0.0407337   0.0537751   0.0526567   32  GLY   A O    
276  H H    . GLY   A 20  ? 0.481236 0.443931 0.336687 0.035014    0.0585551   0.116322    32  GLY   A H    
277  H HA2  . GLY   A 20  ? 0.445356 0.434942 0.320888 0.0212499   0.0670182   0.0900659   32  GLY   A HA2  
278  H HA3  . GLY   A 20  ? 0.449623 0.400471 0.330538 0.0226381   0.0588705   0.0853258   32  GLY   A HA3  
279  N N    . VAL   A 21  ? 0.427312 0.407236 0.278205 0.059318    0.0471292   0.0624419   33  VAL   A N    
280  C CA   . VAL   A 21  ? 0.435113 0.416608 0.284873 0.0723284   0.037808    0.0423401   33  VAL   A CA   
281  C C    . VAL   A 21  ? 0.464019 0.466294 0.289495 0.0884542   0.0337699   0.0426371   33  VAL   A C    
282  O O    . VAL   A 21  ? 0.440146 0.437349 0.2543   0.0936285   0.0279992   0.0521801   33  VAL   A O    
283  C CB   . VAL   A 21  ? 0.419199 0.376615 0.283504 0.0732956   0.028821    0.0319309   33  VAL   A CB   
284  C CG1  . VAL   A 21  ? 0.436147 0.39737  0.305448 0.0825239   0.0195318   0.0132894   33  VAL   A CG1  
285  C CG2  . VAL   A 21  ? 0.436281 0.375172 0.318106 0.0586667   0.0344227   0.0323922   33  VAL   A CG2  
286  H H    . VAL   A 21  ? 0.450396 0.42902  0.293218 0.0611424   0.0467942   0.0744768   33  VAL   A H    
287  H HA   . VAL   A 21  ? 0.419535 0.409297 0.274651 0.0710304   0.0398123   0.034809    33  VAL   A HA   
288  H HB   . VAL   A 21  ? 0.44321  0.395538 0.302809 0.0783006   0.0244584   0.0377544   33  VAL   A HB   
289  H HG11 . VAL   A 21  ? 0.418858 0.386636 0.291372 0.0800776   0.0224523   0.0091895   33  VAL   A HG11 
290  H HG12 . VAL   A 21  ? 0.439174 0.409063 0.297161 0.0928888   0.0137354   0.010104    33  VAL   A HG12 
291  H HG13 . VAL   A 21  ? 0.420738 0.369802 0.302957 0.0805141   0.0157956   0.00856065  33  VAL   A HG13 
292  H HG21 . VAL   A 21  ? 0.422635 0.3515   0.314049 0.0604023   0.0304936   0.0249626   33  VAL   A HG21 
293  H HG22 . VAL   A 21  ? 0.439019 0.370778 0.320662 0.0536651   0.0377939   0.0429739   33  VAL   A HG22 
294  H HG23 . VAL   A 21  ? 0.418039 0.363275 0.302549 0.0526398   0.0381677   0.029197    33  VAL   A HG23 
295  N N    . LEU   A 22  ? 0.426463 0.452941 0.244641 0.097483    0.035848    0.0306177   34  LEU   A N    
296  C CA   . LEU   A 22  ? 0.466404 0.517381 0.258975 0.114897    0.0325601   0.0230589   34  LEU   A CA   
297  C C    . LEU   A 22  ? 0.49183  0.537045 0.290933 0.127969    0.0184264   -0.00571792 34  LEU   A C    
298  O O    . LEU   A 22  ? 0.458572 0.495897 0.280043 0.124811    0.0179722   -0.0164022  34  LEU   A O    
299  C CB   . LEU   A 22  ? 0.54997  0.637263 0.332591 0.116176    0.0482456   0.0298189   34  LEU   A CB   
300  C CG   . LEU   A 22  ? 0.56817  0.664916 0.350643 0.0997716   0.0630948   0.0607057   34  LEU   A CG   
301  C CD1  . LEU   A 22  ? 0.559263 0.697091 0.343082 0.100011    0.0789809   0.0637665   34  LEU   A CD1  
302  C CD2  . LEU   A 22  ? 0.561753 0.660039 0.318199 0.101457    0.0617459   0.0830402   34  LEU   A CD2  
303  H H    . LEU   A 22  ? 0.425211 0.453834 0.25506  0.0933937   0.0391086   0.0257629   34  LEU   A H    
304  H HA   . LEU   A 22  ? 0.495701 0.544607 0.275017 0.116894    0.0291077   0.0327973   34  LEU   A HA   
305  H HB2  . LEU   A 22  ? 0.51785  0.607563 0.315641 0.116153    0.0496443   0.0192152   34  LEU   A HB2  
306  H HB3  . LEU   A 22  ? 0.552581 0.659229 0.315281 0.129095    0.0471598   0.022684    34  LEU   A HB3  
307  H HG   . LEU   A 22  ? 0.540451 0.615591 0.341539 0.0872372   0.0624459   0.0653594   34  LEU   A HG   
308  H HD11 . LEU   A 22  ? 0.543292 0.678228 0.346565 0.0972335   0.0786821   0.054107    34  LEU   A HD11 
309  H HD12 . LEU   A 22  ? 0.571885 0.717937 0.356105 0.0887881   0.0880366   0.0849898   34  LEU   A HD12 
310  H HD13 . LEU   A 22  ? 0.578053 0.738529 0.344432 0.114316    0.0801401   0.0541983   34  LEU   A HD13 
311  H HD21 . LEU   A 22  ? 0.56834  0.640679 0.329711 0.100687    0.0516592   0.0824598   34  LEU   A HD21 
312  H HD22 . LEU   A 22  ? 0.590181 0.710161 0.324477 0.114431    0.0608803   0.076736    34  LEU   A HD22 
313  H HD23 . LEU   A 22  ? 0.581098 0.685575 0.339641 0.0904074   0.0712505   0.104251    34  LEU   A HD23 
314  N N    . LYS   A 23  ? 0.477813 0.528272 0.258013 0.141933    0.00599247  -0.0167957  35  LYS   A N    
315  C CA   . LYS   A 23  ? 0.49797  0.537974 0.288152 0.152235    -0.0116624  -0.0441839  35  LYS   A CA   
316  C C    . LYS   A 23  ? 0.521974 0.586744 0.28439  0.172175    -0.0189684  -0.0653722  35  LYS   A C    
317  O O    . LYS   A 23  ? 0.536448 0.622054 0.264797 0.179415    -0.0190439  -0.0574032  35  LYS   A O    
318  C CB   . LYS   A 23  ? 0.515663 0.533997 0.317051 0.148654    -0.0264673  -0.0425122  35  LYS   A CB   
319  C CG   . LYS   A 23  ? 0.553182 0.558964 0.37491  0.154503    -0.0461128  -0.0689048  35  LYS   A CG   
320  C CD   . LYS   A 23  ? 0.537264 0.532694 0.370116 0.153578    -0.0622214  -0.0686805  35  LYS   A CD   
321  C CE   . LYS   A 23  ? 0.541561 0.524989 0.403437 0.154638    -0.0808939  -0.0922844  35  LYS   A CE   
322  N NZ   . LYS   A 23  ? 0.507238 0.489878 0.37937  0.155696    -0.097879   -0.0929223  35  LYS   A NZ   
323  H H    . LYS   A 23  ? 0.508645 0.570245 0.268987 0.144516    0.00775698  -0.00595265 35  LYS   A H    
324  H HA   . LYS   A 23  ? 0.479975 0.511099 0.290475 0.148923    -0.0110089  -0.0516632  35  LYS   A HA   
325  H HB2  . LYS   A 23  ? 0.500623 0.504876 0.318076 0.137181    -0.0208689  -0.0305036  35  LYS   A HB2  
326  H HB3  . LYS   A 23  ? 0.537102 0.56445  0.318615 0.153363    -0.0292943  -0.0347423  35  LYS   A HB3  
327  H HG2  . LYS   A 23  ? 0.557955 0.575794 0.36607  0.166025    -0.0515377  -0.0849495  35  LYS   A HG2  
328  H HG3  . LYS   A 23  ? 0.521132 0.514796 0.365333 0.147573    -0.043605   -0.0714011  35  LYS   A HG3  
329  H HD2  . LYS   A 23  ? 0.527222 0.512604 0.372922 0.144002    -0.0556453  -0.0538162  35  LYS   A HD2  
330  H HD3  . LYS   A 23  ? 0.565122 0.573235 0.374673 0.161629    -0.0673936  -0.0664777  35  LYS   A HD3  
331  H HE2  . LYS   A 23  ? 0.546171 0.535991 0.398512 0.163999    -0.0875091  -0.109773   35  LYS   A HE2  
332  H HE3  . LYS   A 23  ? 0.509845 0.48053  0.395759 0.145166    -0.0759462  -0.0899052  35  LYS   A HE3  
333  H HZ1  . LYS   A 23  ? 0.541243 0.536428 0.389443 0.164744    -0.104141   -0.0944164  35  LYS   A HZ1  
334  H HZ2  . LYS   A 23  ? 0.506306 0.483413 0.389108 0.148602    -0.091394   -0.0781461  35  LYS   A HZ2  
335  H HZ3  . LYS   A 23  ? 0.519902 0.49618  0.413188 0.154536    -0.109308   -0.10657    35  LYS   A HZ3  
336  N N    . ILE   A 24  ? 0.548101 0.610555 0.324437 0.182326    -0.0267542  -0.0939893  36  ILE   A N    
337  C CA   . ILE   A 24  ? 0.566238 0.643522 0.322162 0.202554    -0.0405235  -0.12473    36  ILE   A CA   
338  C C    . ILE   A 24  ? 0.582587 0.629735 0.368925 0.203256    -0.0643294  -0.149127   36  ILE   A C    
339  O O    . ILE   A 24  ? 0.593366 0.617354 0.416896 0.196885    -0.0665864  -0.154148   36  ILE   A O    
340  C CB   . ILE   A 24  ? 0.635376 0.741566 0.379673 0.218976    -0.0296869  -0.143481   36  ILE   A CB   
341  C CG1  . ILE   A 24  ? 0.640786 0.782691 0.360287 0.216059    -0.00464317 -0.117268   36  ILE   A CG1  
342  C CG2  . ILE   A 24  ? 0.692636 0.810999 0.417094 0.241709    -0.0462195  -0.183486   36  ILE   A CG2  
343  C CD1  . ILE   A 24  ? 0.694526 0.872433 0.407848 0.232801    0.0089443   -0.13526    36  ILE   A CD1  
344  H H    . ILE   A 24  ? 0.519704 0.570578 0.318792 0.176913    -0.0243777  -0.0949479  36  ILE   A H    
345  H HA   . ILE   A 24  ? 0.600417 0.690335 0.330561 0.205673    -0.0427427  -0.118297   36  ILE   A HA   
346  H HB   . ILE   A 24  ? 0.610598 0.703179 0.382717 0.216212    -0.028814   -0.147828   36  ILE   A HB   
347  H HG12 . ILE   A 24  ? 0.666709 0.821346 0.35845  0.217273    -0.00493536 -0.107761   36  ILE   A HG12 
348  H HG13 . ILE   A 24  ? 0.621936 0.752456 0.358496 0.201331    0.00321131  -0.0962662  36  ILE   A HG13 
349  H HG21 . ILE   A 24  ? 0.70076  0.837437 0.421435 0.253445    -0.038274   -0.197492   36  ILE   A HG21 
350  H HG22 . ILE   A 24  ? 0.709127 0.843281 0.40307  0.245217    -0.0486887  -0.179776   36  ILE   A HG22 
351  H HG23 . ILE   A 24  ? 0.684443 0.777411 0.43151  0.241061    -0.0627965  -0.199084   36  ILE   A HG23 
352  H HD11 . ILE   A 24  ? 0.67152  0.834698 0.412691 0.235511    0.00437842  -0.149494   36  ILE   A HD11 
353  H HD12 . ILE   A 24  ? 0.678437 0.877107 0.38689  0.226471    0.0260879   -0.114642   36  ILE   A HD12 
354  H HD13 . ILE   A 24  ? 0.715609 0.912274 0.403473 0.247613    0.00491356  -0.153532   36  ILE   A HD13 
355  N N    . VAL   A 25  ? 0.57964  0.630302 0.349641 0.211512    -0.0836315  -0.164401   37  VAL   A N    
356  C CA   . VAL   A 25  ? 0.608237 0.635094 0.408313 0.212689    -0.108668   -0.191392   37  VAL   A CA   
357  C C    . VAL   A 25  ? 0.607581 0.637688 0.40813  0.230698    -0.115766   -0.229328   37  VAL   A C    
358  O O    . VAL   A 25  ? 0.668704 0.726663 0.430589 0.249566    -0.118665   -0.25158    37  VAL   A O    
359  C CB   . VAL   A 25  ? 0.620915 0.652907 0.407616 0.215285    -0.130318   -0.197082   37  VAL   A CB   
360  C CG1  . VAL   A 25  ? 0.625087 0.634095 0.449771 0.213783    -0.157741   -0.225507   37  VAL   A CG1  
361  C CG2  . VAL   A 25  ? 0.597209 0.625735 0.387924 0.201204    -0.124488   -0.161286   37  VAL   A CG2  
362  H H    . VAL   A 25  ? 0.608208 0.676814 0.349341 0.215715    -0.082036   -0.156988   37  VAL   A H    
363  H HA   . VAL   A 25  ? 0.570661 0.576544 0.402561 0.200235    -0.107777   -0.181793   37  VAL   A HA   
364  H HB   . VAL   A 25  ? 0.651328 0.706152 0.402405 0.227987    -0.131631   -0.206302   37  VAL   A HB   
365  H HG11 . VAL   A 25  ? 0.601615 0.590181 0.460856 0.202415    -0.154497   -0.218237   37  VAL   A HG11 
366  H HG12 . VAL   A 25  ? 0.652532 0.664997 0.469502 0.225807    -0.166218   -0.252523   37  VAL   A HG12 
367  H HG13 . VAL   A 25  ? 0.633378 0.64547  0.457318 0.211975    -0.170703   -0.223913   37  VAL   A HG13 
368  H HG21 . VAL   A 25  ? 0.614915 0.650207 0.3963   0.205158    -0.13901    -0.164602   37  VAL   A HG21 
369  H HG22 . VAL   A 25  ? 0.594287 0.633908 0.364894 0.200282    -0.107987   -0.142093   37  VAL   A HG22 
370  H HG23 . VAL   A 25  ? 0.571506 0.580705 0.395726 0.18949     -0.123261   -0.154601   37  VAL   A HG23 
371  N N    . LYS   A 26  ? 0.578674 0.579435 0.423874 0.226441    -0.1225     -0.240353   38  LYS   A N    
372  C CA   . LYS   A 26  ? 0.619576 0.617325 0.473939 0.244943    -0.130097   -0.276645   38  LYS   A CA   
373  C C    . LYS   A 26  ? 0.654579 0.629197 0.530762 0.249587    -0.161818   -0.312428   38  LYS   A C    
374  O O    . LYS   A 26  ? 0.726809 0.70522  0.596229 0.269833    -0.172847   -0.35178    38  LYS   A O    
375  C CB   . LYS   A 26  ? 0.633585 0.612542 0.525958 0.240094    -0.120179   -0.26635    38  LYS   A CB   
376  C CG   . LYS   A 26  ? 0.622534 0.626561 0.49761  0.234954    -0.0908707  -0.234211   38  LYS   A CG   
377  C CD   . LYS   A 26  ? 0.652139 0.701774 0.482846 0.25381     -0.0749572  -0.243823   38  LYS   A CD   
378  C CE   . LYS   A 26  ? 0.654961 0.716212 0.490993 0.277901    -0.0761608  -0.278516   38  LYS   A CE   
379  N NZ   . LYS   A 26  ? 0.691077 0.803377 0.484243 0.297399    -0.0590565  -0.290592   38  LYS   A NZ   
380  H H    . LYS   A 26  ? 0.56142  0.543722 0.432713 0.212332    -0.122381   -0.22479    38  LYS   A H    
381  H HA   . LYS   A 26  ? 0.645448 0.670822 0.467019 0.259002    -0.121924   -0.286185   38  LYS   A HA   
382  H HB2  . LYS   A 26  ? 0.611125 0.564874 0.533677 0.225839    -0.127431   -0.2554     38  LYS   A HB2  
383  H HB3  . LYS   A 26  ? 0.65096  0.626625 0.552292 0.254352    -0.126736   -0.29159    38  LYS   A HB3  
384  H HG2  . LYS   A 26  ? 0.597894 0.600349 0.468262 0.22048     -0.0855006  -0.210434   38  LYS   A HG2  
385  H HG3  . LYS   A 26  ? 0.607032 0.599887 0.507364 0.232569    -0.0875885  -0.229141   38  LYS   A HG3  
386  H HD2  . LYS   A 26  ? 0.660772 0.721845 0.464262 0.256904    -0.0798717  -0.248602   38  LYS   A HD2  
387  H HD3  . LYS   A 26  ? 0.624019 0.687957 0.447668 0.24603     -0.0575262  -0.219211   38  LYS   A HD3  
388  H HE2  . LYS   A 26  ? 0.646272 0.698027 0.509729 0.275362    -0.0714047  -0.270974   38  LYS   A HE2  
389  H HE3  . LYS   A 26  ? 0.68405  0.726631 0.531024 0.284667    -0.0949796  -0.304068   38  LYS   A HE3  
390  H HZ1  . LYS   A 26  ? 0.671067 0.801294 0.459232 0.291121    -0.0415307  -0.267589   38  LYS   A HZ1  
391  H HZ2  . LYS   A 26  ? 0.706603 0.830021 0.47074  0.299546    -0.0632215  -0.294913   38  LYS   A HZ2  
392  H HZ3  . LYS   A 26  ? 0.710128 0.826782 0.511295 0.313742    -0.0618138  -0.316604   38  LYS   A HZ3  
393  N N    . ARG   A 27  ? 0.63537  0.586079 0.543325 0.230459    -0.176496   -0.30036    39  ARG   A N    
394  C CA   . ARG   A 27  ? 0.70235  0.635732 0.633103 0.230864    -0.208448   -0.331036   39  ARG   A CA   
395  C C    . ARG   A 27  ? 0.688498 0.627734 0.621567 0.215354    -0.216399   -0.310861   39  ARG   A C    
396  O O    . ARG   A 27  ? 0.686524 0.618147 0.641526 0.196454    -0.203259   -0.275459   39  ARG   A O    
397  C CB   . ARG   A 27  ? 0.699359 0.590368 0.692689 0.221368    -0.222023   -0.338974   39  ARG   A CB   
398  C CG   . ARG   A 27  ? 0.802065 0.674028 0.822761 0.222865    -0.257464   -0.376981   39  ARG   A CG   
399  C CD   . ARG   A 27  ? 0.871597 0.711794 0.956082 0.195921    -0.268183   -0.356221   39  ARG   A CD   
400  N NE   . ARG   A 27  ? 0.96455  0.770762 1.09121  0.192091    -0.266029   -0.350887   39  ARG   A NE   
401  C CZ   . ARG   A 27  ? 0.884992 0.664027 1.06412  0.169283    -0.266785   -0.323344   39  ARG   A CZ   
402  N NH1  . ARG   A 27  ? 0.730502 0.519287 0.919325 0.147371    -0.254646   -0.286766   39  ARG   A NH1  
403  N NH2  . ARG   A 27  ? 0.905615 0.649108 1.12577  0.170389    -0.276968   -0.330415   39  ARG   A NH2  
404  H H    . ARG   A 27  ? 0.613138 0.559669 0.530848 0.216452    -0.166167   -0.272814   39  ARG   A H    
405  H HA   . ARG   A 27  ? 0.729447 0.676413 0.634859 0.247531    -0.2169     -0.359507   39  ARG   A HA   
406  H HB2  . ARG   A 27  ? 0.719749 0.606466 0.714853 0.231277    -0.215275   -0.346691   39  ARG   A HB2  
407  H HB3  . ARG   A 27  ? 0.683607 0.564392 0.699828 0.204036    -0.214868   -0.31091    39  ARG   A HB3  
408  H HG2  . ARG   A 27  ? 0.817509 0.709098 0.811858 0.227123    -0.265378   -0.38607    39  ARG   A HG2  
409  H HG3  . ARG   A 27  ? 0.834935 0.696592 0.860562 0.236499    -0.265935   -0.405407   39  ARG   A HG3  
410  H HD2  . ARG   A 27  ? 0.832716 0.68338  0.914227 0.183464    -0.254689   -0.326118   39  ARG   A HD2  
411  H HD3  . ARG   A 27  ? 0.89037  0.723612 0.992627 0.193307    -0.29076    -0.375957   39  ARG   A HD3  
412  H HE   . ARG   A 27  ? 0.939272 0.744058 1.05556  0.206943    -0.263989   -0.366536   39  ARG   A HE   
413  H HH11 . ARG   A 27  ? 0.742804 0.553823 0.9018   0.148301    -0.24044    -0.274195   39  ARG   A HH11 
414  H HH12 . ARG   A 27  ? 0.760321 0.533918 0.986594 0.131764    -0.260396   -0.27473    39  ARG   A HH12 
415  H HH21 . ARG   A 27  ? 0.939298 0.670028 1.16683  0.18254     -0.292817   -0.36078    39  ARG   A HH21 
416  H HH22 . ARG   A 27  ? 0.888412 0.620726 1.12864  0.159435    -0.268527   -0.304838   39  ARG   A HH22 
417  N N    . VAL   A 28  ? 0.698313 0.654191 0.608189 0.224631    -0.238027   -0.333995   40  VAL   A N    
418  C CA   . VAL   A 28  ? 0.696818 0.663929 0.608014 0.214014    -0.247483   -0.315646   40  VAL   A CA   
419  C C    . VAL   A 28  ? 0.685572 0.624585 0.665287 0.193523    -0.264137   -0.314102   40  VAL   A C    
420  O O    . VAL   A 28  ? 0.745212 0.659693 0.761586 0.191962    -0.282836   -0.341295   40  VAL   A O    
421  C CB   . VAL   A 28  ? 0.794393 0.791203 0.660837 0.229558    -0.268906   -0.337689   40  VAL   A CB   
422  C CG1  . VAL   A 28  ? 0.814605 0.821381 0.693052 0.218401    -0.279662   -0.314131   40  VAL   A CG1  
423  C CG2  . VAL   A 28  ? 0.791013 0.822086 0.586737 0.24869     -0.250755   -0.335372   40  VAL   A CG2  
424  H H    . VAL   A 28  ? 0.739754 0.701427 0.632893 0.238848    -0.247913   -0.362847   40  VAL   A H    
425  H HA   . VAL   A 28  ? 0.678241 0.653084 0.578186 0.208656    -0.228202   -0.286127   40  VAL   A HA   
426  H HB   . VAL   A 28  ? 0.814303 0.802935 0.692726 0.234605    -0.289827   -0.370248   40  VAL   A HB   
427  H HG11 . VAL   A 28  ? 0.766843 0.769931 0.654882 0.208878    -0.261052   -0.283984   40  VAL   A HG11 
428  H HG12 . VAL   A 28  ? 0.806386 0.801233 0.722908 0.210641    -0.298977   -0.326925   40  VAL   A HG12 
429  H HG13 . VAL   A 28  ? 0.827259 0.857255 0.667161 0.22887     -0.28636    -0.316447   40  VAL   A HG13 
430  H HG21 . VAL   A 28  ? 0.83247  0.88287  0.599056 0.258455    -0.266122   -0.350276   40  VAL   A HG21 
431  H HG22 . VAL   A 28  ? 0.806517 0.834507 0.597884 0.256885    -0.242713   -0.350897   40  VAL   A HG22 
432  H HG23 . VAL   A 28  ? 0.772977 0.811026 0.558431 0.242809    -0.232096   -0.303121   40  VAL   A HG23 
433  N N    . GLY   A 29  ? 0.622228 0.56552  0.622733 0.177628    -0.257254   -0.282083   41  GLY   A N    
434  C CA   . GLY   A 29  ? 0.665774 0.592766 0.731322 0.157155    -0.269781   -0.276658   41  GLY   A CA   
435  C C    . GLY   A 29  ? 0.727788 0.670373 0.80836  0.156737    -0.300588   -0.292644   41  GLY   A C    
436  O O    . GLY   A 29  ? 0.774056 0.735247 0.812454 0.173849    -0.316937   -0.314695   41  GLY   A O    
437  H H    . GLY   A 29  ? 0.629545 0.587368 0.604777 0.179569    -0.243708   -0.262742   41  GLY   A H    
438  H HA2  . GLY   A 29  ? 0.666301 0.572437 0.758176 0.153202    -0.275667   -0.288717   41  GLY   A HA2  
439  H HA3  . GLY   A 29  ? 0.627019 0.554468 0.704197 0.146595    -0.25214    -0.24926    41  GLY   A HA3  
440  N N    . ASN   A 30  ? 0.704874 0.642783 0.847163 0.136693    -0.308388   -0.281341   42  ASN   A N    
441  C CA   . ASN   A 30  ? 0.751435 0.700658 0.9299   0.131419    -0.341563   -0.299279   42  ASN   A CA   
442  C C    . ASN   A 30  ? 0.724155 0.699378 0.919524 0.124734    -0.334098   -0.26958    42  ASN   A C    
443  O O    . ASN   A 30  ? 0.668249 0.640886 0.880729 0.11362     -0.305532   -0.238309   42  ASN   A O    
444  C CB   . ASN   A 30  ? 0.794278 0.718967 1.04602  0.110624    -0.35713    -0.309178   42  ASN   A CB   
445  C CG   . ASN   A 30  ? 0.884874 0.775126 1.1342   0.115056    -0.359808   -0.331372   42  ASN   A CG   
446  O OD1  . ASN   A 30  ? 0.952011 0.822018 1.21156  0.107452    -0.336117   -0.309939   42  ASN   A OD1  
447  N ND2  . ASN   A 30  ? 0.967938 0.854065 1.19681  0.130749    -0.387502   -0.374898   42  ASN   A ND2  
448  H H    . ASN   A 30  ? 0.68412  0.613722 0.847863 0.125254    -0.291439   -0.260681   42  ASN   A H    
449  H HA   . ASN   A 30  ? 0.785409 0.742869 0.934566 0.144867    -0.359617   -0.323374   42  ASN   A HA   
450  H HB2  . ASN   A 30  ? 0.76982  0.693929 1.05213  0.0961898   -0.341072   -0.283444   42  ASN   A HB2  
451  H HB3  . ASN   A 30  ? 0.820722 0.753634 1.09502  0.10809     -0.38245    -0.32603    42  ASN   A HB3  
452  H HD21 . ASN   A 30  ? 0.975713 0.840272 1.21042  0.134018    -0.392393   -0.391994   42  ASN   A HD21 
453  H HD22 . ASN   A 30  ? 0.97241  0.877787 1.1814   0.138688    -0.401645   -0.387733   42  ASN   A HD22 
454  N N    . GLY   A 31  ? 0.731249 0.731757 0.922969 0.132589    -0.361243   -0.281791   43  GLY   A N    
455  C CA   . GLY   A 31  ? 0.757059 0.784912 0.967509 0.130993    -0.359754   -0.257236   43  GLY   A CA   
456  C C    . GLY   A 31  ? 0.779599 0.816625 0.932557 0.145652    -0.334854   -0.230426   43  GLY   A C    
457  O O    . GLY   A 31  ? 0.891381 0.91637  0.992895 0.15434     -0.317701   -0.229998   43  GLY   A O    
458  H H    . GLY   A 31  ? 0.777559 0.779025 0.955093 0.140219    -0.382698   -0.307495   43  GLY   A H    
459  H HA2  . GLY   A 31  ? 0.776892 0.820574 0.995064 0.13481     -0.386353   -0.271787   43  GLY   A HA2  
460  H HA3  . GLY   A 31  ? 0.728192 0.753833 0.985345 0.116176    -0.349681   -0.243549   43  GLY   A HA3  
461  N N    . GLU   A 32  ? 0.732958 0.791406 0.90005  0.148298    -0.334032   -0.208309   44  GLU   A N    
462  C CA   . GLU   A 32  ? 0.721978 0.785449 0.842656 0.161179    -0.313882   -0.180959   44  GLU   A CA   
463  C C    . GLU   A 32  ? 0.619925 0.671284 0.764827 0.150299    -0.277334   -0.153859   44  GLU   A C    
464  O O    . GLU   A 32  ? 0.608356 0.652445 0.715198 0.15662     -0.255332   -0.134633   44  GLU   A O    
465  C CB   . GLU   A 32  ? 0.678851 0.770233 0.793298 0.17509     -0.339297   -0.174637   44  GLU   A CB   
466  H H    . GLU   A 32  ? 0.736904 0.806865 0.946861 0.14193     -0.347013   -0.210184   44  GLU   A H    
467  H HA   . GLU   A 32  ? 0.712774 0.769611 0.786269 0.168853    -0.308689   -0.1854     44  GLU   A HA   
470  N N    . GLU   A 33  ? 0.602343 0.652735 0.809687 0.132877    -0.271018   -0.15332    45  GLU   A N    
471  C CA   . GLU   A 33  ? 0.559869 0.607754 0.795333 0.122747    -0.239461   -0.131011   45  GLU   A CA   
472  C C    . GLU   A 33  ? 0.546091 0.569515 0.745217 0.118424    -0.209937   -0.122087   45  GLU   A C    
473  O O    . GLU   A 33  ? 0.545007 0.55169  0.73543  0.112063    -0.210273   -0.133635   45  GLU   A O    
474  C CB   . GLU   A 33  ? 0.618626 0.676745 0.926637 0.103541    -0.243067   -0.135431   45  GLU   A CB   
475  C CG   . GLU   A 33  ? 0.682129 0.754324 1.03164  0.0949844   -0.216      -0.115569   45  GLU   A CG   
476  C CD   . GLU   A 33  ? 0.729002 0.835951 1.14059  0.0950239   -0.228797   -0.114786   45  GLU   A CD   
477  O OE1  . GLU   A 33  ? 0.884963 1.00369  1.33956  0.0844987   -0.252911   -0.12825    45  GLU   A OE1  
478  O OE2  . GLU   A 33  ? 0.566298 0.688457 0.988903 0.104962    -0.215627   -0.102123   45  GLU   A OE2  
479  H H    . GLU   A 33  ? 0.610726 0.663313 0.844591 0.126497    -0.287621   -0.168429   45  GLU   A H    
480  H HA   . GLU   A 33  ? 0.571476 0.629639 0.806284 0.130897    -0.236677   -0.119236   45  GLU   A HA   
481  H HB2  . GLU   A 33  ? 0.635996 0.70869  0.966121 0.105403    -0.26695    -0.146041   45  GLU   A HB2  
482  H HB3  . GLU   A 33  ? 0.619907 0.662851 0.929074 0.0942112   -0.241096   -0.141964   45  GLU   A HB3  
483  H HG2  . GLU   A 33  ? 0.655622 0.720858 1.02104  0.0810562   -0.202903   -0.112572   45  GLU   A HG2  
484  H HG3  . GLU   A 33  ? 0.658169 0.724437 0.978333 0.103167    -0.200116   -0.105046   45  GLU   A HG3  
485  N N    . THR   A 34  ? 0.488717 0.509678 0.673522 0.121242    -0.1846     -0.101618   46  THR   A N    
486  C CA   . THR   A 34  ? 0.467704 0.469731 0.626437 0.114728    -0.155983   -0.0914612  46  THR   A CA   
487  C C    . THR   A 34  ? 0.469764 0.477895 0.665    0.10444     -0.13287    -0.0782954  46  THR   A C    
488  O O    . THR   A 34  ? 0.443396 0.469149 0.671362 0.108686    -0.136315   -0.0750208  46  THR   A O    
489  C CB   . THR   A 34  ? 0.450433 0.443936 0.552057 0.127289    -0.147913   -0.0819715  46  THR   A CB   
490  O OG1  . THR   A 34  ? 0.460688 0.462747 0.572013 0.135573    -0.147149   -0.0683431  46  THR   A OG1  
491  C CG2  . THR   A 34  ? 0.490695 0.486867 0.551961 0.139502    -0.168635   -0.0952203  46  THR   A CG2  
492  H H    . THR   A 34  ? 0.498687 0.529916 0.692022 0.127609    -0.186538   -0.0945125  46  THR   A H    
493  H HA   . THR   A 34  ? 0.468854 0.462083 0.627545 0.108219    -0.157498   -0.0994581  46  THR   A HA   
494  H HB   . THR   A 34  ? 0.446874 0.429595 0.5352   0.121897    -0.129865   -0.0758345  46  THR   A HB   
496  H HG21 . THR   A 34  ? 0.492572 0.484869 0.51823  0.144902    -0.15937    -0.0870276  46  THR   A HG21 
497  H HG22 . THR   A 34  ? 0.502865 0.511016 0.570093 0.146376    -0.186361   -0.0985349  46  THR   A HG22 
498  H HG23 . THR   A 34  ? 0.489913 0.481088 0.555627 0.135259    -0.173766   -0.10882    46  THR   A HG23 
499  N N    . PRO   A 35  ? 0.40506  0.402612 0.597467 0.0916661   -0.109737   -0.0716541  47  PRO   A N    
500  C CA   . PRO   A 35  ? 0.411765 0.421783 0.639515 0.0809545   -0.088814   -0.0627853  47  PRO   A CA   
501  C C    . PRO   A 35  ? 0.3778   0.390458 0.597457 0.090525    -0.0728476  -0.0552006  47  PRO   A C    
502  O O    . PRO   A 35  ? 0.418266 0.414607 0.596963 0.0995947   -0.0689893  -0.0505379  47  PRO   A O    
503  C CB   . PRO   A 35  ? 0.366722 0.364228 0.58282  0.0659966   -0.0719836  -0.0569466  47  PRO   A CB   
504  C CG   . PRO   A 35  ? 0.423308 0.399525 0.591022 0.0738429   -0.078954   -0.0611467  47  PRO   A CG   
505  C CD   . PRO   A 35  ? 0.437825 0.416273 0.598937 0.0870415   -0.104872   -0.0736433  47  PRO   A CD   
506  H HA   . PRO   A 35  ? 0.39543  0.420428 0.661054 0.0765674   -0.0968804  -0.0659416  47  PRO   A HA   
507  H HB2  . PRO   A 35  ? 0.377002 0.377262 0.589627 0.06256     -0.0532895  -0.0498367  47  PRO   A HB2  
508  H HB3  . PRO   A 35  ? 0.385777 0.387627 0.629145 0.0558539   -0.0767891  -0.0577575  47  PRO   A HB3  
509  H HG2  . PRO   A 35  ? 0.407089 0.37814  0.548964 0.0778174   -0.0671145  -0.0554425  47  PRO   A HG2  
510  H HG3  . PRO   A 35  ? 0.410478 0.378484 0.57814  0.0663848   -0.0784985  -0.0613813  47  PRO   A HG3  
511  H HD2  . PRO   A 35  ? 0.437338 0.409297 0.563317 0.0961275   -0.105164   -0.0735453  47  PRO   A HD2  
512  H HD3  . PRO   A 35  ? 0.438588 0.414537 0.612488 0.0836153   -0.118284   -0.0829145  47  PRO   A HD3  
513  N N    . MET   A 36  ? 0.376949 0.409741 0.637639 0.0860409   -0.0596396  -0.053514   48  MET   A N    
514  C CA   . MET   A 36  ? 0.376094 0.412785 0.641998 0.0967761   -0.0452614  -0.0511232  48  MET   A CA   
515  C C    . MET   A 36  ? 0.392569 0.426375 0.645895 0.085864    -0.0158941  -0.0486575  48  MET   A C    
516  O O    . MET   A 36  ? 0.337899 0.380508 0.599091 0.0694619   -0.00695831 -0.0460141  48  MET   A O    
517  C CB   . MET   A 36  ? 0.413268 0.481538 0.738346 0.101812    -0.0484716  -0.0549378  48  MET   A CB   
518  C CG   . MET   A 36  ? 0.456998 0.534792 0.801388 0.11321     -0.0802413  -0.0579376  48  MET   A CG   
519  S SD   . MET   A 36  ? 0.454227 0.509914 0.75945  0.136381    -0.0958722  -0.051133   48  MET   A SD   
520  C CE   . MET   A 36  ? 0.566178 0.644863 0.898975 0.145359    -0.135125   -0.0559995  48  MET   A CE   
521  H H    . MET   A 36  ? 0.370588 0.415859 0.659255 0.0762143   -0.0591062  -0.0542711  48  MET   A H    
522  H HA   . MET   A 36  ? 0.396115 0.418414 0.63699  0.107259    -0.0520205  -0.0488197  48  MET   A HA   
523  H HB2  . MET   A 36  ? 0.403581 0.488    0.753219 0.0897196   -0.0405306  -0.055314   48  MET   A HB2  
524  H HB3  . MET   A 36  ? 0.412976 0.482557 0.742959 0.109481    -0.0366698  -0.0551607  48  MET   A HB3  
525  H HG2  . MET   A 36  ? 0.445645 0.520305 0.783385 0.106339    -0.092996   -0.0607842  48  MET   A HG2  
526  H HG3  . MET   A 36  ? 0.442843 0.544547 0.830699 0.114508    -0.0813454  -0.0602652  48  MET   A HG3  
527  H HE1  . MET   A 36  ? 0.555728 0.627201 0.868775 0.158149    -0.147261   -0.0500466  48  MET   A HE1  
528  H HE2  . MET   A 36  ? 0.539917 0.617115 0.86235  0.13718     -0.144508   -0.0619223  48  MET   A HE2  
529  H HE3  . MET   A 36  ? 0.535162 0.636306 0.914014 0.145646    -0.135734   -0.0588925  48  MET   A HE3  
530  N N    . ILE   A 37  ? 0.348775 0.373699 0.590196 0.094692    -0.00224066 -0.0496738  49  ILE   A N    
531  C CA   . ILE   A 37  ? 0.374201 0.402373 0.607608 0.0859652   0.0246336   -0.052217   49  ILE   A CA   
532  C C    . ILE   A 37  ? 0.323437 0.387785 0.59796  0.076174    0.0391517   -0.0544303  49  ILE   A C    
533  O O    . ILE   A 37  ? 0.32138  0.40984  0.640653 0.083754    0.0368603   -0.0588724  49  ILE   A O    
534  C CB   . ILE   A 37  ? 0.42536  0.438201 0.649096 0.098174    0.0347863   -0.0581178  49  ILE   A CB   
535  C CG1  . ILE   A 37  ? 0.42671  0.405176 0.607101 0.101555    0.0251657   -0.0509414  49  ILE   A CG1  
536  C CG2  . ILE   A 37  ? 0.447562 0.470879 0.666336 0.0896368   0.0619033   -0.0667048  49  ILE   A CG2  
537  C CD1  . ILE   A 37  ? 0.48707  0.444417 0.661512 0.110504    0.0330075   -0.0549739  49  ILE   A CD1  
538  H H    . ILE   A 37  ? 0.37548  0.391976 0.613769 0.106264    -0.0106171  -0.0490317  49  ILE   A H    
539  H HA   . ILE   A 37  ? 0.36209  0.378803 0.567443 0.0772289   0.0268573   -0.048225   49  ILE   A HA   
540  H HB   . ILE   A 37  ? 0.426085 0.446522 0.677476 0.10956     0.0296464   -0.0612272  49  ILE   A HB   
541  H HG12 . ILE   A 37  ? 0.43058  0.403996 0.586636 0.091115    0.029132    -0.0481096  49  ILE   A HG12 
542  H HG13 . ILE   A 37  ? 0.438927 0.414355 0.619651 0.107849    0.00860917  -0.0457274  49  ILE   A HG13 
543  H HG21 . ILE   A 37  ? 0.452379 0.461017 0.661859 0.0963053   0.0667661   -0.0726134  49  ILE   A HG21 
544  H HG22 . ILE   A 37  ? 0.435308 0.456057 0.630948 0.0776071   0.0658076   -0.0619802  49  ILE   A HG22 
545  H HG23 . ILE   A 37  ? 0.440023 0.488686 0.688593 0.0896074   0.0701481   -0.071188   49  ILE   A HG23 
546  H HD11 . ILE   A 37  ? 0.479904 0.446144 0.683957 0.119775    0.0351203   -0.0613834  49  ILE   A HD11 
547  H HD12 . ILE   A 37  ? 0.48123  0.420489 0.639666 0.115276    0.022172    -0.0467047  49  ILE   A HD12 
548  H HD13 . ILE   A 37  ? 0.473416 0.426637 0.6318   0.102319    0.0461999   -0.0594978  49  ILE   A HD13 
549  N N    . GLY   A 38  ? 0.314945 0.38573  0.573442 0.0590991   0.055845    -0.049493   50  GLY   A N    
550  C CA   . GLY   A 38  ? 0.294406 0.402068 0.58574  0.0459088   0.0723586   -0.0457803  50  GLY   A CA   
551  C C    . GLY   A 38  ? 0.320416 0.434307 0.632734 0.0298642   0.0589293   -0.0329552  50  GLY   A C    
552  O O    . GLY   A 38  ? 0.341704 0.48613  0.682262 0.0145617   0.0727938   -0.023844   50  GLY   A O    
553  H H    . GLY   A 38  ? 0.312061 0.364992 0.537774 0.0553373   0.0568104   -0.0467338  50  GLY   A H    
554  H HA2  . GLY   A 38  ? 0.310123 0.421132 0.580772 0.0395279   0.0890622   -0.0452084  50  GLY   A HA2  
555  H HA3  . GLY   A 38  ? 0.30809  0.435983 0.631211 0.0535618   0.0768094   -0.0522564  50  GLY   A HA3  
556  N N    . ASP   A 39  ? 0.303197 0.394059 0.612165 0.0342707   0.0313959   -0.0335452  51  ASP   A N    
557  C CA   . ASP   A 39  ? 0.350961 0.444193 0.6873   0.0206027   0.0148839   -0.0266087  51  ASP   A CA   
558  C C    . ASP   A 39  ? 0.318991 0.399146 0.628983 0.00384473  0.0238961   -0.0128909  51  ASP   A C    
559  O O    . ASP   A 39  ? 0.338875 0.399127 0.601443 0.00719373  0.0310668   -0.0123433  51  ASP   A O    
560  C CB   . ASP   A 39  ? 0.295006 0.364787 0.624052 0.0306854   -0.0168201  -0.0352424  51  ASP   A CB   
561  C CG   . ASP   A 39  ? 0.316445 0.402911 0.681748 0.0431801   -0.0354088  -0.0449463  51  ASP   A CG   
562  O OD1  . ASP   A 39  ? 0.316316 0.434022 0.722598 0.043268    -0.0242749  -0.0446064  51  ASP   A OD1  
563  O OD2  . ASP   A 39  ? 0.362317 0.433155 0.714238 0.0534341   -0.062103   -0.05327    51  ASP   A OD2  
564  H H    . ASP   A 39  ? 0.316791 0.390446 0.606499 0.0456792   0.0225989   -0.0387218  51  ASP   A H    
565  H HA   . ASP   A 39  ? 0.323962 0.44326  0.700437 0.0150247   0.0185998   -0.0246905  51  ASP   A HA   
566  H HB2  . ASP   A 39  ? 0.311679 0.361558 0.602659 0.0390023   -0.0176477  -0.0376155  51  ASP   A HB2  
567  H HB3  . ASP   A 39  ? 0.31501  0.377826 0.651646 0.0209249   -0.0263843  -0.0322374  51  ASP   A HB3  
568  N N    . LYS   A 40  ? 0.359445 0.450528 0.704397 -0.0146546  0.0209654   -0.00019566 52  LYS   A N    
569  C CA   . LYS   A 40  ? 0.365002 0.43957  0.691339 -0.029642   0.0229493   0.0161423   52  LYS   A CA   
570  C C    . LYS   A 40  ? 0.33886  0.37626  0.653925 -0.0235972  -0.00545146 0.00828205  52  LYS   A C    
571  O O    . LYS   A 40  ? 0.40042  0.43477  0.750069 -0.02309    -0.0278042  -0.00060105 52  LYS   A O    
572  C CB   . LYS   A 40  ? 0.396525 0.498949 0.77188  -0.0526924  0.0313565   0.0361998   52  LYS   A CB   
573  C CG   . LYS   A 40  ? 0.453325 0.54253  0.815417 -0.0702278  0.0347494   0.0601953   52  LYS   A CG   
574  C CD   . LYS   A 40  ? 0.563854 0.675851 0.97797  -0.0954575  0.0392517   0.0854249   52  LYS   A CD   
575  C CE   . LYS   A 40  ? 0.621438 0.724503 1.0162   -0.111837   0.0465648   0.114658    52  LYS   A CE   
576  N NZ   . LYS   A 40  ? 0.677807 0.815013 1.11847  -0.137056   0.0598765   0.143439    52  LYS   A NZ   
577  H H    . LYS   A 40  ? 0.351209 0.460179 0.734697 -0.0182065  0.0167495   -0.00055895 52  LYS   A H    
578  H HA   . LYS   A 40  ? 0.361798 0.434201 0.654295 -0.028117   0.0369506   0.0188255   52  LYS   A HA   
579  H HB2  . LYS   A 40  ? 0.399434 0.531055 0.78352  -0.0539573  0.0502142   0.0378252   52  LYS   A HB2  
580  H HB3  . LYS   A 40  ? 0.40264  0.505359 0.813701 -0.0551474  0.0153703   0.0325857   52  LYS   A HB3  
581  H HG2  . LYS   A 40  ? 0.463053 0.522165 0.813886 -0.0659515  0.0170615   0.0560427   52  LYS   A HG2  
582  H HG3  . LYS   A 40  ? 0.462337 0.556997 0.790859 -0.0690904  0.0510264   0.0643602   52  LYS   A HG3  
583  H HD2  . LYS   A 40  ? 0.547514 0.693978 0.978544 -0.0984933  0.0563103   0.0871026   52  LYS   A HD2  
584  H HD3  . LYS   A 40  ? 0.552099 0.6527   0.999493 -0.0982974  0.0197222   0.0814089   52  LYS   A HD3  
585  H HE2  . LYS   A 40  ? 0.62462  0.695334 1.01746  -0.111018   0.0277548   0.115182    52  LYS   A HE2  
586  H HE3  . LYS   A 40  ? 0.617451 0.725937 0.972071 -0.106749   0.0610617   0.114964    52  LYS   A HE3  
587  H HZ1  . LYS   A 40  ? 0.667174 0.801734 1.14918  -0.142515   0.0464966   0.141831    52  LYS   A HZ1  
588  H HZ2  . LYS   A 40  ? 0.662224 0.832583 1.10111  -0.137186   0.0799915   0.143138    52  LYS   A HZ2  
589  H HZ3  . LYS   A 40  ? 0.680798 0.810284 1.11199  -0.147606   0.0613872   0.164037    52  LYS   A HZ3  
590  N N    . VAL   A 41  ? 0.347228 0.359674 0.615393 -0.0185043  -0.0047947  0.00945575  53  VAL   A N    
591  C CA   . VAL   A 41  ? 0.364827 0.346202 0.616314 -0.0082335  -0.0278836  -0.00190347 53  VAL   A CA   
592  C C    . VAL   A 41  ? 0.391166 0.352677 0.643294 -0.019078   -0.0332826  0.0117766   53  VAL   A C    
593  O O    . VAL   A 41  ? 0.380881 0.347023 0.613854 -0.0273091  -0.0165734  0.0288937   53  VAL   A O    
594  C CB   . VAL   A 41  ? 0.398397 0.370647 0.601497 0.00986991  -0.0245396  -0.0133363  53  VAL   A CB   
595  C CG1  . VAL   A 41  ? 0.421959 0.369944 0.604677 0.0211543   -0.0438965  -0.0248121  53  VAL   A CG1  
596  C CG2  . VAL   A 41  ? 0.364855 0.352935 0.576751 0.021301    -0.0243762  -0.0242646  53  VAL   A CG2  
597  H H    . VAL   A 41  ? 0.346695 0.364029 0.593552 -0.0211552  0.010535    0.0165095   53  VAL   A H    
598  H HA   . VAL   A 41  ? 0.37666  0.357744 0.651771 -0.00575717 -0.0431715  -0.0112464  53  VAL   A HA   
599  H HB   . VAL   A 41  ? 0.384172 0.35854  0.566469 0.00662329  -0.00965314 -0.00550998 53  VAL   A HB   
600  H HG11 . VAL   A 41  ? 0.424138 0.367869 0.63052  0.0202034   -0.0593779  -0.0312178  53  VAL   A HG11 
601  H HG12 . VAL   A 41  ? 0.417872 0.356534 0.586799 0.0180937   -0.0403164  -0.018119   53  VAL   A HG12 
602  H HG13 . VAL   A 41  ? 0.413872 0.36103  0.574466 0.0327591   -0.0448218  -0.0327884  53  VAL   A HG13 
603  H HG21 . VAL   A 41  ? 0.370985 0.350632 0.554837 0.0322428   -0.02514    -0.0296885  53  VAL   A HG21 
604  H HG22 . VAL   A 41  ? 0.36805  0.372486 0.59022  0.0165042   -0.00936351 -0.0190896  53  VAL   A HG22 
605  H HG23 . VAL   A 41  ? 0.376991 0.367823 0.61352  0.022489    -0.0391517  -0.030554   53  VAL   A HG23 
606  N N    . TYR   A 42  ? 0.421047 0.360472 0.694113 -0.016893   -0.0583552  0.00179387  54  TYR   A N    
607  C CA   . TYR   A 42  ? 0.417412 0.331192 0.700958 -0.0240376  -0.0694867  0.0117137   54  TYR   A CA   
608  C C    . TYR   A 42  ? 0.385623 0.274736 0.639322 -0.00390518 -0.0846484  -0.00923516 54  TYR   A C    
609  O O    . TYR   A 42  ? 0.447543 0.330461 0.704973 0.00834322  -0.102888   -0.0339786  54  TYR   A O    
610  C CB   . TYR   A 42  ? 0.465826 0.372714 0.809181 -0.0392623  -0.087329   0.0151282   54  TYR   A CB   
611  C CG   . TYR   A 42  ? 0.501612 0.438999 0.882539 -0.0616019  -0.0711131  0.0388913   54  TYR   A CG   
612  C CD1  . TYR   A 42  ? 0.501897 0.47085  0.899745 -0.060493   -0.0644829  0.02986     54  TYR   A CD1  
613  C CD2  . TYR   A 42  ? 0.524279 0.463141 0.923371 -0.0826065  -0.0614161  0.0715799   54  TYR   A CD2  
614  C CE1  . TYR   A 42  ? 0.523752 0.52739  0.959331 -0.0790615  -0.0475951  0.0491718   54  TYR   A CE1  
615  C CE2  . TYR   A 42  ? 0.597013 0.570695 1.03028  -0.103363   -0.0441936  0.0939582   54  TYR   A CE2  
616  C CZ   . TYR   A 42  ? 0.573445 0.58151  1.02434  -0.100817   -0.0356033  0.0810739   54  TYR   A CZ   
617  O OH   . TYR   A 42  ? 0.661969 0.711326 1.15061  -0.118948   -0.0169044  0.0997131   54  TYR   A OH   
618  H H    . TYR   A 42  ? 0.41275  0.352401 0.694831 -0.00980934 -0.0703146  -0.0128698  54  TYR   A H    
619  H HA   . TYR   A 42  ? 0.41798  0.33629  0.690499 -0.0318812  -0.0557655  0.0299814   54  TYR   A HA   
620  H HB2  . TYR   A 42  ? 0.469133 0.372934 0.822066 -0.0313558  -0.102367   -0.00484188 54  TYR   A HB2  
621  H HB3  . TYR   A 42  ? 0.48195  0.367071 0.833181 -0.042254   -0.0966858  0.0207634   54  TYR   A HB3  
622  H HD1  . TYR   A 42  ? 0.496499 0.464804 0.881603 -0.046363   -0.0719746  0.010731    54  TYR   A HD1  
623  H HD2  . TYR   A 42  ? 0.549615 0.466863 0.940266 -0.082764   -0.0673846  0.079456    54  TYR   A HD2  
624  H HE1  . TYR   A 42  ? 0.517386 0.543706 0.968082 -0.0765608  -0.0437155  0.0418159   54  TYR   A HE1  
625  H HE2  . TYR   A 42  ? 0.591194 0.567854 1.03466  -0.118282   -0.0372366  0.118641    54  TYR   A HE2  
627  N N    . VAL   A 43  ? 0.410897 0.288415 0.639089 -0.00076414 -0.0790726  0.00035309  55  VAL   A N    
628  C CA   . VAL   A 43  ? 0.405136 0.265453 0.608827 0.0188004   -0.0903205  -0.0186649  55  VAL   A CA   
629  C C    . VAL   A 43  ? 0.475264 0.313686 0.688919 0.017507    -0.0974499  -0.00691985 55  VAL   A C    
630  O O    . VAL   A 43  ? 0.458256 0.298126 0.682246 0.00180732  -0.0892994  0.0211016   55  VAL   A O    
631  C CB   . VAL   A 43  ? 0.415279 0.2911   0.569513 0.0307311   -0.0739567  -0.0226656  55  VAL   A CB   
632  C CG1  . VAL   A 43  ? 0.391285 0.285865 0.535675 0.0335918   -0.0669929  -0.0305716  55  VAL   A CG1  
633  C CG2  . VAL   A 43  ? 0.416597 0.30034  0.549038 0.0230423   -0.0556597  -0.00071345 55  VAL   A CG2  
634  H H    . VAL   A 43  ? 0.401701 0.284916 0.628062 -0.010696   -0.0678699  0.0191423   55  VAL   A H    
635  H HA   . VAL   A 43  ? 0.431578 0.285257 0.645634 0.0260131   -0.104862   -0.0372091  55  VAL   A HA   
636  H HB   . VAL   A 43  ? 0.415836 0.284241 0.557242 0.043977    -0.0817359  -0.0366803  55  VAL   A HB   
637  H HG11 . VAL   A 43  ? 0.387509 0.292888 0.541897 0.0226468   -0.0564423  -0.0185462  55  VAL   A HG11 
638  H HG12 . VAL   A 43  ? 0.402342 0.294112 0.560945 0.0379635   -0.0804842  -0.0437607  55  VAL   A HG12 
639  H HG13 . VAL   A 43  ? 0.387127 0.286476 0.502482 0.0422169   -0.0602109  -0.0342398  55  VAL   A HG13 
640  H HG21 . VAL   A 43  ? 0.401155 0.295667 0.508364 0.0274868   -0.0453656  -0.0036491  55  VAL   A HG21 
641  H HG22 . VAL   A 43  ? 0.421315 0.294679 0.551945 0.0271956   -0.0611803  0.00105695  55  VAL   A HG22 
642  H HG23 . VAL   A 43  ? 0.413755 0.303389 0.560137 0.00957026  -0.0493437  0.014388    55  VAL   A HG23 
643  N N    . HIS   A 44  ? 0.517764 0.339155 0.725368 0.0362166   -0.112122   -0.0290081  56  HIS   A N    
644  C CA   . HIS   A 44  ? 0.499506 0.306351 0.704036 0.0445447   -0.115749   -0.0235264  56  HIS   A CA   
645  C C    . HIS   A 44  ? 0.4341   0.258962 0.593095 0.0622156   -0.104061   -0.0360623  56  HIS   A C    
646  O O    . HIS   A 44  ? 0.475027 0.311597 0.612273 0.0732521   -0.102829   -0.0570433  56  HIS   A O    
647  C CB   . HIS   A 44  ? 0.551669 0.325359 0.79324  0.0541242   -0.141919   -0.0417786  56  HIS   A CB   
648  C CG   . HIS   A 44  ? 0.56901  0.320662 0.858864 0.0339869   -0.152328   -0.0175519  56  HIS   A CG   
649  N ND1  . HIS   A 44  ? 0.611501 0.364141 0.90356  0.0206835   -0.142919   0.020165    56  HIS   A ND1  
650  C CD2  . HIS   A 44  ? 0.630147 0.360414 0.966568 0.023861    -0.17102    -0.0225921  56  HIS   A CD2  
651  C CE1  . HIS   A 44  ? 0.631701 0.363797 0.970658 0.00249124  -0.154618   0.0403987   56  HIS   A CE1  
652  N NE2  . HIS   A 44  ? 0.660859 0.378542 1.02978  0.00341816  -0.17156    0.0143844   56  HIS   A NE2  
653  H H    . HIS   A 44  ? 0.506649 0.327401 0.712435 0.0453539   -0.120639   -0.0495986  56  HIS   A H    
654  H HA   . HIS   A 44  ? 0.496035 0.30511  0.704245 0.0324702   -0.108266   0.00088877  56  HIS   A HA   
655  H HB2  . HIS   A 44  ? 0.552615 0.325078 0.795675 0.0613552   -0.150906   -0.0653061  56  HIS   A HB2  
656  H HB3  . HIS   A 44  ? 0.552876 0.321968 0.785525 0.067003    -0.143406   -0.0467823  56  HIS   A HB3  
658  H HD2  . HIS   A 44  ? 0.631747 0.35752  0.977593 0.0287973   -0.182508   -0.0462908  56  HIS   A HD2  
659  H HE1  . HIS   A 44  ? 0.645206 0.374766 0.99429  -0.0097849  -0.151831   0.0692761   56  HIS   A HE1  
661  N N    . TYR   A 45  ? 0.442657 0.272689 0.587924 0.0634173   -0.095572   -0.0201993  57  TYR   A N    
662  C CA   . TYR   A 45  ? 0.442758 0.292699 0.551603 0.0769268   -0.0839469  -0.0282453  57  TYR   A CA   
663  C C    . TYR   A 45  ? 0.451859 0.299943 0.565491 0.0847377   -0.0867149  -0.0194054  57  TYR   A C    
664  O O    . TYR   A 45  ? 0.435962 0.269903 0.573226 0.0761736   -0.0941224  0.00138777  57  TYR   A O    
665  C CB   . TYR   A 45  ? 0.425283 0.298572 0.503128 0.065609    -0.0632165  -0.0152716  57  TYR   A CB   
666  C CG   . TYR   A 45  ? 0.380398 0.259637 0.456503 0.0491644   -0.0542381  0.0129438   57  TYR   A CG   
667  C CD1  . TYR   A 45  ? 0.405606 0.282019 0.498448 0.0304487   -0.0521546  0.0322875   57  TYR   A CD1  
668  C CD2  . TYR   A 45  ? 0.360467 0.252115 0.418763 0.0522579   -0.0485147  0.0205281   57  TYR   A CD2  
669  C CE1  . TYR   A 45  ? 0.379964 0.26584  0.465131 0.0166133   -0.0445986  0.0586966   57  TYR   A CE1  
670  C CE2  . TYR   A 45  ? 0.377746 0.277055 0.431122 0.0388681   -0.0439034  0.0447039   57  TYR   A CE2  
671  C CZ   . TYR   A 45  ? 0.418355 0.315934 0.480381 0.0206887   -0.0406927  0.0637801   57  TYR   A CZ   
672  O OH   . TYR   A 45  ? 0.394171 0.304444 0.443692 0.00786476  -0.0358022  0.0882176   57  TYR   A OH   
673  H H    . TYR   A 45  ? 0.450408 0.272729 0.610731 0.0548536   -0.0975925  -0.00246646 57  TYR   A H    
674  H HA   . TYR   A 45  ? 0.44659  0.297626 0.548818 0.0897205   -0.0884832  -0.0494405  57  TYR   A HA   
675  H HB2  . TYR   A 45  ? 0.406449 0.291366 0.463321 0.0745252   -0.0573014  -0.0230519  57  TYR   A HB2  
676  H HB3  . TYR   A 45  ? 0.409428 0.283615 0.48954  0.0605935   -0.0620837  -0.0185757  57  TYR   A HB3  
677  H HD1  . TYR   A 45  ? 0.397426 0.267564 0.507446 0.0270785   -0.0564736  0.0280721   57  TYR   A HD1  
678  H HD2  . TYR   A 45  ? 0.366367 0.263463 0.416292 0.0641313   -0.0486176  0.00888203  57  TYR   A HD2  
679  H HE1  . TYR   A 45  ? 0.401216 0.289558 0.49492  0.00387728  -0.0410728  0.0724931   57  TYR   A HE1  
680  H HE2  . TYR   A 45  ? 0.378806 0.288613 0.420656 0.0410333   -0.0415418  0.0484458   57  TYR   A HE2  
682  N N    . LYS   A 46  ? 0.432399 0.298349 0.524157 0.1013      -0.080509   -0.0339004  58  LYS   A N    
683  C CA   . LYS   A 46  ? 0.441673 0.318591 0.53382  0.108777    -0.078645   -0.0252211  58  LYS   A CA   
684  C C    . LYS   A 46  ? 0.465576 0.373799 0.522911 0.107766    -0.0600977  -0.0242156  58  LYS   A C    
685  O O    . LYS   A 46  ? 0.490351 0.408459 0.526732 0.111521    -0.052582   -0.0380547  58  LYS   A O    
686  C CB   . LYS   A 46  ? 0.493114 0.366668 0.602802 0.134591    -0.0896401  -0.0482895  58  LYS   A CB   
687  C CG   . LYS   A 46  ? 0.586682 0.424994 0.73267  0.139719    -0.110477   -0.059268   58  LYS   A CG   
688  C CD   . LYS   A 46  ? 0.671713 0.498317 0.846735 0.164951    -0.124957   -0.079018   58  LYS   A CD   
689  C CE   . LYS   A 46  ? 0.655886 0.476961 0.831496 0.185397    -0.13308    -0.120591   58  LYS   A CE   
690  N NZ   . LYS   A 46  ? 0.615425 0.418336 0.827037 0.209058    -0.149255   -0.140651   58  LYS   A NZ   
691  H H    . LYS   A 46  ? 0.434782 0.308582 0.511983 0.108008    -0.0774448  -0.0489045  58  LYS   A H    
692  H HA   . LYS   A 46  ? 0.455058 0.326138 0.557237 0.0980928   -0.0808675  -0.00482587 58  LYS   A HA   
693  H HB2  . LYS   A 46  ? 0.497927 0.385871 0.590515 0.144861    -0.0837439  -0.066067   58  LYS   A HB2  
694  H HB3  . LYS   A 46  ? 0.500717 0.382773 0.615869 0.137987    -0.0889552  -0.0385855  58  LYS   A HB3  
695  H HG2  . LYS   A 46  ? 0.581997 0.406738 0.742036 0.125033    -0.114455   -0.0380851  58  LYS   A HG2  
696  H HG3  . LYS   A 46  ? 0.583177 0.417303 0.723645 0.140079    -0.112401   -0.0747659  58  LYS   A HG3  
697  H HD2  . LYS   A 46  ? 0.641447 0.489058 0.808588 0.172483    -0.117229   -0.0755967  58  LYS   A HD2  
698  H HD3  . LYS   A 46  ? 0.663874 0.466546 0.867591 0.160564    -0.137412   -0.0666714  58  LYS   A HD3  
699  H HE2  . LYS   A 46  ? 0.649643 0.453959 0.830628 0.176811    -0.140541   -0.125024   58  LYS   A HE2  
700  H HE3  . LYS   A 46  ? 0.633433 0.480963 0.780591 0.192198    -0.120736   -0.131265   58  LYS   A HE3  
701  H HZ1  . LYS   A 46  ? 0.651752 0.426263 0.891815 0.202676    -0.162627   -0.13147    58  LYS   A HZ1  
702  H HZ2  . LYS   A 46  ? 0.632292 0.451465 0.843782 0.216526    -0.143158   -0.134086   58  LYS   A HZ2  
703  H HZ3  . LYS   A 46  ? 0.652386 0.456518 0.859888 0.223341    -0.15272    -0.169441   58  LYS   A HZ3  
704  N N    . GLY   A 47  ? 0.419823 0.342659 0.472271 0.0998014   -0.0542261  -0.00440773 59  GLY   A N    
705  C CA   . GLY   A 47  ? 0.432379 0.3817   0.457183 0.0934702   -0.0381612  -0.00049708 59  GLY   A CA   
706  C C    . GLY   A 47  ? 0.411916 0.382676 0.443308 0.0983427   -0.0384348  0.00767771  59  GLY   A C    
707  O O    . GLY   A 47  ? 0.393087 0.357649 0.446542 0.100869    -0.0506067  0.019265    59  GLY   A O    
708  H H    . GLY   A 47  ? 0.443322 0.359094 0.510993 0.0978695   -0.0616032  0.00715049  59  GLY   A H    
709  H HA2  . GLY   A 47  ? 0.417224 0.373139 0.430891 0.10046     -0.0329875  -0.0136169  59  GLY   A HA2  
710  H HA3  . GLY   A 47  ? 0.412182 0.360166 0.426795 0.0788549   -0.0328295  0.0101162   59  GLY   A HA3  
711  N N    . LYS   A 48  ? 0.342612 0.340871 0.357979 0.0990953   -0.0258077  0.00407978  60  LYS   A N    
712  C CA   . LYS   A 48  ? 0.32239  0.347449 0.348588 0.102844    -0.0258692  0.0109781   60  LYS   A CA   
713  C C    . LYS   A 48  ? 0.337881 0.388512 0.344273 0.0900695   -0.0109278  0.0152971   60  LYS   A C    
714  O O    . LYS   A 48  ? 0.332609 0.380237 0.3202   0.0861718   -0.00094406 0.00947782  60  LYS   A O    
715  C CB   . LYS   A 48  ? 0.334047 0.371146 0.385704 0.127938    -0.0318957  -0.00261929 60  LYS   A CB   
716  C CG   . LYS   A 48  ? 0.38422  0.435115 0.423678 0.142521    -0.0209264  -0.0247891  60  LYS   A CG   
717  C CD   . LYS   A 48  ? 0.454575 0.525504 0.516342 0.169679    -0.0228559  -0.0433988  60  LYS   A CD   
718  C CE   . LYS   A 48  ? 0.50399  0.588639 0.546762 0.184718    -0.0125935  -0.0670478  60  LYS   A CE   
719  N NZ   . LYS   A 48  ? 0.598931 0.71828  0.660361 0.209857    -0.00791377 -0.0841405  60  LYS   A NZ   
720  H H    . LYS   A 48  ? 0.345307 0.346279 0.345403 0.0968228   -0.017819   -0.00141764 60  LYS   A H    
721  H HA   . LYS   A 48  ? 0.335309 0.355228 0.367693 0.095009    -0.0329412  0.0246431   60  LYS   A HA   
722  H HB2  . LYS   A 48  ? 0.342524 0.400598 0.403785 0.128628    -0.0318218  0.00437256  60  LYS   A HB2  
723  H HB3  . LYS   A 48  ? 0.356687 0.373256 0.424516 0.134624    -0.0435394  -0.0041536  60  LYS   A HB3  
724  H HG2  . LYS   A 48  ? 0.386854 0.417343 0.418136 0.142632    -0.0235419  -0.0323606  60  LYS   A HG2  
725  H HG3  . LYS   A 48  ? 0.372706 0.441368 0.396625 0.133828    -0.00946452 -0.0198337  60  LYS   A HG3  
726  H HD2  . LYS   A 48  ? 0.445525 0.542401 0.516355 0.169719    -0.0184832  -0.0361547  60  LYS   A HD2  
727  H HD3  . LYS   A 48  ? 0.462133 0.513057 0.54382  0.178193    -0.0359394  -0.047311   60  LYS   A HD3  
728  H HE2  . LYS   A 48  ? 0.52135  0.581697 0.561633 0.189169    -0.020621   -0.0784439  60  LYS   A HE2  
729  H HE3  . LYS   A 48  ? 0.501279 0.59819  0.52261  0.173862    -0.00122434 -0.0599512  60  LYS   A HE3  
730  H HZ1  . LYS   A 48  ? 0.582404 0.688979 0.667029 0.220552    -0.0193659  -0.090205   60  LYS   A HZ1  
731  H HZ2  . LYS   A 48  ? 0.562117 0.707798 0.627008 0.204956    0.00039701  -0.0733933  60  LYS   A HZ2  
732  H HZ3  . LYS   A 48  ? 0.582916 0.711677 0.630472 0.220011    -0.00201414 -0.0996858  60  LYS   A HZ3  
733  N N    . LEU   A 49  ? 0.310813 0.385002 0.325195 0.0829838   -0.0122089  0.0269019   61  LEU   A N    
734  C CA   . LEU   A 49  ? 0.366489 0.46955  0.37407  0.0737614   -1.68e-05   0.0287238   61  LEU   A CA   
735  C C    . LEU   A 49  ? 0.481742 0.609682 0.498511 0.0925734   0.00899805  0.0167055   61  LEU   A C    
736  O O    . LEU   A 49  ? 0.432275 0.564483 0.467894 0.114288    0.00303945  0.0063254   61  LEU   A O    
737  C CB   . LEU   A 49  ? 0.412959 0.539339 0.433002 0.063095    -0.00699438 0.0415957   61  LEU   A CB   
738  C CG   . LEU   A 49  ? 0.442532 0.552675 0.447825 0.0446128   -0.0154843  0.0530109   61  LEU   A CG   
739  C CD1  . LEU   A 49  ? 0.490046 0.631417 0.507065 0.0350457   -0.0251795  0.064064    61  LEU   A CD1  
740  C CD2  . LEU   A 49  ? 0.498561 0.588015 0.47641  0.0297479   -0.00427643 0.0480705   61  LEU   A CD2  
741  H H    . LEU   A 49  ? 0.336463 0.409163 0.362243 0.0832633   -0.0217407  0.0346848   61  LEU   A H    
742  H HA   . LEU   A 49  ? 0.374743 0.467267 0.364774 0.0626254   0.00643107  0.0290745   61  LEU   A HA   
743  H HB2  . LEU   A 49  ? 0.414918 0.551947 0.45498  0.0757724   -0.0141129  0.041878    61  LEU   A HB2  
744  H HB3  . LEU   A 49  ? 0.405439 0.551372 0.425368 0.0562122   0.00060685  0.0421541   61  LEU   A HB3  
745  H HG   . LEU   A 49  ? 0.460006 0.554178 0.469001 0.0507094   -0.0232773  0.0561405   61  LEU   A HG   
746  H HD11 . LEU   A 49  ? 0.481163 0.634002 0.518802 0.0475211   -0.0327673  0.0670401   61  LEU   A HD11 
747  H HD12 . LEU   A 49  ? 0.483764 0.617582 0.48755  0.0238403   -0.0309538  0.0706194   61  LEU   A HD12 
748  H HD13 . LEU   A 49  ? 0.472534 0.630364 0.490555 0.0279571   -0.0184582  0.0612702   61  LEU   A HD13 
749  H HD21 . LEU   A 49  ? 0.477378 0.547218 0.4508   0.0353459   -0.00360197 0.0444569   61  LEU   A HD21 
750  H HD22 . LEU   A 49  ? 0.473001 0.571193 0.449623 0.0281408   0.00419826  0.0439158   61  LEU   A HD22 
751  H HD23 . LEU   A 49  ? 0.48266  0.570839 0.450336 0.0166259   -0.00686474 0.0527124   61  LEU   A HD23 
752  N N    . SER   A 50  ? 0.476363 0.619487 0.479008 0.0855604   0.0238187   0.017112    62  SER   A N    
753  C CA   . SER   A 50  ? 0.55979  0.732636 0.565696 0.103139    0.0350877   0.00740886  62  SER   A CA   
754  C C    . SER   A 50  ? 0.505639 0.718531 0.544176 0.115795    0.034385    0.0062576   62  SER   A C    
755  O O    . SER   A 50  ? 0.718141 0.953251 0.766435 0.13849     0.039466    -0.0079563  62  SER   A O    
756  C CB   . SER   A 50  ? 0.543407 0.728498 0.529892 0.09045     0.051168    0.0154644   62  SER   A CB   
757  O OG   . SER   A 50  ? 0.525365 0.731696 0.525922 0.07085     0.0545435   0.0302999   62  SER   A OG   
758  H H    . SER   A 50  ? 0.486318 0.62238  0.477634 0.0705176   0.0271398   0.0235169   62  SER   A H    
759  H HA   . SER   A 50  ? 0.536598 0.695149 0.536878 0.116559    0.0319425   -0.00439139 62  SER   A HA   
760  H HB2  . SER   A 50  ? 0.552805 0.758145 0.536339 0.102368    0.059419    0.00992173  62  SER   A HB2  
761  H HB3  . SER   A 50  ? 0.541808 0.700767 0.511237 0.0837214   0.0499088   0.0163163   62  SER   A HB3  
763  N N    . ASN   A 51  ? 0.629656 0.855345 0.68664  0.102775    0.0274083   0.019344    63  ASN   A N    
764  C CA   . ASN   A 51  ? 0.760724 1.02279  0.854807 0.116039    0.0220153   0.0194258   63  ASN   A CA   
765  C C    . ASN   A 51  ? 0.796229 1.03632  0.909343 0.135437    0.0030523   0.0135947   63  ASN   A C    
766  O O    . ASN   A 51  ? 0.745891 1.01269  0.894106 0.150454    -0.0041174  0.0132366   63  ASN   A O    
767  C CB   . ASN   A 51  ? 0.654021 0.938991 0.761607 0.0933821   0.0177169   0.0363349   63  ASN   A CB   
768  C CG   . ASN   A 51  ? 0.861577 1.10913  0.950998 0.0756255   0.00286322  0.0452628   63  ASN   A CG   
769  O OD1  . ASN   A 51  ? 1.02939  1.24202  1.10963  0.0840887   -0.00660589 0.0424173   63  ASN   A OD1  
770  N ND2  . ASN   A 51  ? 0.931841 1.18768  1.01729  0.0510045   0.00014458  0.0553113   63  ASN   A ND2  
771  H H    . ASN   A 51  ? 0.612821 0.82594  0.659844 0.0854911   0.0252946   0.0278357   63  ASN   A H    
772  H HA   . ASN   A 51  ? 0.721741 1.01191  0.823232 0.127265    0.0332231   0.0126045   63  ASN   A HA   
773  H HB2  . ASN   A 51  ? 0.72186  1.0336   0.8568   0.102387    0.0128532   0.0373089   63  ASN   A HB2  
774  H HB3  . ASN   A 51  ? 0.717325 1.01679  0.819219 0.0813851   0.0291587   0.0401871   63  ASN   A HB3  
775  H HD21 . ASN   A 51  ? 0.910716 1.15095  0.986404 0.0421786   -0.00919922 0.059631    63  ASN   A HD21 
776  H HD22 . ASN   A 51  ? 0.902698 1.18017  0.995427 0.0430429   0.0074897   0.0572911   63  ASN   A HD22 
777  N N    . GLY   A 52  ? 0.837206 1.02938  0.932603 0.134716    -0.00620781 0.0110434   64  GLY   A N    
778  C CA   . GLY   A 52  ? 0.760929 0.924486 0.875479 0.150977    -0.0243239  0.00743711  64  GLY   A CA   
779  C C    . GLY   A 52  ? 0.804135 0.9695   0.940278 0.145383    -0.0423248  0.0277863   64  GLY   A C    
780  O O    . GLY   A 52  ? 0.805634 0.967833 0.97427  0.164849    -0.0568092  0.0271974   64  GLY   A O    
781  H H    . GLY   A 52  ? 0.794532 0.970702 0.866989 0.122575    -0.00122386 0.0126859   64  GLY   A H    
782  H HA2  . GLY   A 52  ? 0.791461 0.923814 0.890101 0.146318    -0.0267575  0.005667    64  GLY   A HA2  
783  H HA3  . GLY   A 52  ? 0.800069 0.973583 0.930441 0.171356    -0.0231972  -0.007069   64  GLY   A HA3  
784  N N    . LYS   A 53  ? 0.762924 0.932333 0.881151 0.119559    -0.043508   0.0457259   65  LYS   A N    
785  C CA   . LYS   A 53  ? 0.661457 0.83832  0.793795 0.113248    -0.0618581  0.0661159   65  LYS   A CA   
786  C C    . LYS   A 53  ? 0.581121 0.717237 0.695544 0.102096    -0.0741943  0.0815355   65  LYS   A C    
787  O O    . LYS   A 53  ? 0.612278 0.748675 0.737204 0.100356    -0.0920256  0.101549    65  LYS   A O    
788  C CB   . LYS   A 53  ? 0.689179 0.907053 0.820076 0.0953837   -0.0578532  0.0730428   65  LYS   A CB   
789  H H    . LYS   A 53  ? 0.731342 0.898822 0.827792 0.106185    -0.033707   0.0447939   65  LYS   A H    
790  H HA   . LYS   A 53  ? 0.679862 0.866297 0.841103 0.131093    -0.0698182  0.0646958   65  LYS   A HA   
793  N N    . LYS   A 54  ? 0.438256 0.541456 0.529658 0.0965294   -0.0656532  0.0739343   66  LYS   A N    
794  C CA   . LYS   A 54  ? 0.442377 0.513327 0.513962 0.0818396   -0.0700681  0.0867537   66  LYS   A CA   
795  C C    . LYS   A 54  ? 0.507209 0.548203 0.579865 0.0918959   -0.0641176  0.0692786   66  LYS   A C    
796  O O    . LYS   A 54  ? 0.579941 0.628611 0.640155 0.0943715   -0.0495291  0.0510719   66  LYS   A O    
797  C CB   . LYS   A 54  ? 0.405813 0.483572 0.440392 0.0563223   -0.0591993  0.0903478   66  LYS   A CB   
798  H H    . LYS   A 54  ? 0.464365 0.568245 0.553068 0.102723    -0.0554755  0.0593289   66  LYS   A H    
799  H HA   . LYS   A 54  ? 0.465172 0.530438 0.549122 0.0838162   -0.0835388  0.101684    66  LYS   A HA   
802  N N    . PHE   A 55  ? 0.472788 0.484756 0.567405 0.101664    -0.0777206  0.073387    67  PHE   A N    
803  C CA   . PHE   A 55  ? 0.45785  0.437994 0.55813  0.108712    -0.0778389  0.0578972   67  PHE   A CA   
804  C C    . PHE   A 55  ? 0.457429 0.409131 0.554827 0.0913314   -0.0839079  0.0775104   67  PHE   A C    
805  O O    . PHE   A 55  ? 0.5198   0.469632 0.624737 0.0839645   -0.0949089  0.103736    67  PHE   A O    
806  C CB   . PHE   A 55  ? 0.476274 0.448417 0.616043 0.136214    -0.0917007  0.0452214   67  PHE   A CB   
807  C CG   . PHE   A 55  ? 0.613323 0.558703 0.762851 0.150313    -0.0938554  0.0179886   67  PHE   A CG   
808  C CD1  . PHE   A 55  ? 0.677758 0.582088 0.846148 0.146306    -0.108036   0.0229197   67  PHE   A CD1  
809  C CD2  . PHE   A 55  ? 0.706981 0.670866 0.847485 0.166909    -0.0826662  -0.0121918  67  PHE   A CD2  
810  C CE1  . PHE   A 55  ? 0.678762 0.559471 0.857738 0.158065    -0.113025   -0.0051239  67  PHE   A CE1  
811  C CE2  . PHE   A 55  ? 0.767717 0.710267 0.913206 0.180682    -0.0870422  -0.0400976  67  PHE   A CE2  
812  C CZ   . PHE   A 55  ? 0.704728 0.604713 0.870547 0.176304    -0.103508   -0.0382487  67  PHE   A CZ   
813  H H    . PHE   A 55  ? 0.49228  0.503883 0.601376 0.103602    -0.0893317  0.0875461   67  PHE   A H    
814  H HA   . PHE   A 55  ? 0.446563 0.43222  0.530965 0.108487    -0.0662588  0.0430373   67  PHE   A HA   
815  H HB2  . PHE   A 55  ? 0.495913 0.493908 0.639325 0.145882    -0.0872691  0.0378353   67  PHE   A HB2  
816  H HB3  . PHE   A 55  ? 0.517334 0.47781  0.674861 0.135836    -0.104844   0.0620825   67  PHE   A HB3  
817  H HD1  . PHE   A 55  ? 0.671163 0.565089 0.84471  0.134226    -0.114467   0.0459293   67  PHE   A HD1  
818  H HD2  . PHE   A 55  ? 0.677565 0.670385 0.808373 0.16849     -0.0725033  -0.0135246  67  PHE   A HD2  
819  H HE1  . PHE   A 55  ? 0.703583 0.556577 0.899231 0.153562    -0.123638   -0.00134023 67  PHE   A HE1  
820  H HE2  . PHE   A 55  ? 0.733746 0.692219 0.868816 0.191989    -0.079177   -0.0597248  67  PHE   A HE2  
821  H HZ   . PHE   A 55  ? 0.725539 0.611274 0.895837 0.184643    -0.108248   -0.0587124  67  PHE   A HZ   
822  N N    . ASP   A 56  ? 0.397197 0.331485 0.485009 0.0849412   -0.0769903  0.0668254   68  ASP   A N    
823  C CA   . ASP   A 56  ? 0.431165 0.346414 0.51736  0.0668364   -0.0780045  0.0835479   68  ASP   A CA   
824  C C    . ASP   A 56  ? 0.462398 0.350752 0.567775 0.0744813   -0.0830152  0.0640672   68  ASP   A C    
825  O O    . ASP   A 56  ? 0.481389 0.374883 0.57494  0.0827269   -0.0753279  0.0389845   68  ASP   A O    
826  C CB   . ASP   A 56  ? 0.409755 0.34415  0.459112 0.0472803   -0.0603409  0.0883906   68  ASP   A CB   
827  C CG   . ASP   A 56  ? 0.453618 0.377408 0.499346 0.0288016   -0.0555389  0.101908    68  ASP   A CG   
828  O OD1  . ASP   A 56  ? 0.460037 0.369291 0.526258 0.0231859   -0.0664978  0.12355     68  ASP   A OD1  
829  O OD2  . ASP   A 56  ? 0.462835 0.39269  0.490201 0.0208561   -0.0411882  0.0914089   68  ASP   A OD2  
830  H H    . ASP   A 56  ? 0.407377 0.344566 0.490059 0.0925391   -0.0709798  0.0481332   68  ASP   A H    
831  H HA   . ASP   A 56  ? 0.448318 0.357196 0.54723  0.0635751   -0.087842   0.103063    68  ASP   A HA   
832  H HB2  . ASP   A 56  ? 0.419239 0.369886 0.457839 0.042452    -0.0599172  0.0992004   68  ASP   A HB2  
833  H HB3  . ASP   A 56  ? 0.404063 0.34462  0.442611 0.0515278   -0.0518764  0.0712306   68  ASP   A HB3  
834  N N    . SER   A 57  ? 0.509827 0.371966 0.640932 0.0663443   -0.0947854  0.0797003   69  SER   A N    
835  C CA   . SER   A 57  ? 0.57077  0.40499  0.727599 0.0703797   -0.104086   0.0628659   69  SER   A CA   
836  C C    . SER   A 57  ? 0.559241 0.37919  0.731077 0.0470844   -0.105683   0.0875787   69  SER   A C    
837  O O    . SER   A 57  ? 0.579454 0.39104  0.766744 0.037132    -0.113544   0.119292    69  SER   A O    
838  C CB   . SER   A 57  ? 0.623366 0.432327 0.818328 0.0919939   -0.124773   0.0499683   69  SER   A CB   
839  O OG   . SER   A 57  ? 0.710975 0.495577 0.925849 0.0955583   -0.133819   0.0262711   69  SER   A OG   
840  H H    . SER   A 57  ? 0.522789 0.385309 0.656098 0.0569813   -0.0977972  0.102611    69  SER   A H    
841  H HA   . SER   A 57  ? 0.544488 0.386236 0.686788 0.0745958   -0.0966521  0.0426682   69  SER   A HA   
842  H HB2  . SER   A 57  ? 0.62874  0.451533 0.81601  0.107104    -0.122279   0.0356611   69  SER   A HB2  
843  H HB3  . SER   A 57  ? 0.652882 0.449837 0.866731 0.0876998   -0.134326   0.0716811   69  SER   A HB3  
845  N N    . SER   A 58  ? 0.537086 0.356427 0.70743  0.0394669   -0.0992842  0.0742677   70  SER   A N    
846  C CA   . SER   A 58  ? 0.546304 0.353826 0.742106 0.01939     -0.101821   0.0923033   70  SER   A CA   
847  C C    . SER   A 58  ? 0.590425 0.359484 0.836063 0.0234269   -0.126394   0.0950575   70  SER   A C    
848  O O    . SER   A 58  ? 0.652744 0.408935 0.92533  0.00594274  -0.132359   0.125952    70  SER   A O    
849  C CB   . SER   A 58  ? 0.521136 0.337553 0.713354 0.01373     -0.0932518  0.074449    70  SER   A CB   
850  O OG   . SER   A 58  ? 0.549327 0.349761 0.753419 0.0320175   -0.106837   0.0397546   70  SER   A OG   
851  H H    . SER   A 58  ? 0.524008 0.352545 0.678482 0.0468042   -0.0932273  0.0544465   70  SER   A H    
852  H HA   . SER   A 58  ? 0.5488   0.368429 0.734648 0.0061122   -0.0940395  0.117308    70  SER   A HA   
853  H HB2  . SER   A 58  ? 0.537294 0.350466 0.749327 -0.00085808 -0.0937051  0.0887257   70  SER   A HB2  
854  H HB3  . SER   A 58  ? 0.508395 0.345961 0.671517 0.0125496   -0.0787023  0.0721894   70  SER   A HB3  
856  N N    . HIS   A 59  ? 0.61139  0.362047 0.870469 0.0467927   -0.140861   0.0632076   71  HIS   A N    
857  C CA   . HIS   A 59  ? 0.723483 0.43242  1.03402  0.0531545   -0.166577   0.0611965   71  HIS   A CA   
858  C C    . HIS   A 59  ? 0.759154 0.455832 1.08845  0.0467822   -0.174639   0.101755    71  HIS   A C    
859  O O    . HIS   A 59  ? 0.84245  0.504569 1.21819  0.0374001   -0.192659   0.120393    71  HIS   A O    
860  C CB   . HIS   A 59  ? 0.761657 0.458876 1.07746  0.0837624   -0.178546   0.0168388   71  HIS   A CB   
861  C CG   . HIS   A 59  ? 0.815429 0.514577 1.1248   0.0872091   -0.179527   -0.0191928  71  HIS   A CG   
862  N ND1  . HIS   A 59  ? 0.81321  0.540423 1.08141  0.102611    -0.167265   -0.048554   71  HIS   A ND1  
863  C CD2  . HIS   A 59  ? 0.83787  0.513997 1.18035  0.0771531   -0.194253   -0.0291106  71  HIS   A CD2  
864  C CE1  . HIS   A 59  ? 0.77628  0.498553 1.04876  0.10207     -0.174877   -0.0742694  71  HIS   A CE1  
865  N NE2  . HIS   A 59  ? 0.876245 0.56754  1.19561  0.0871329   -0.192278   -0.065254   71  HIS   A NE2  
866  H H    . HIS   A 59  ? 0.60912  0.372715 0.846637 0.0590956   -0.135036   0.0420646   71  HIS   A H    
867  H HA   . HIS   A 59  ? 0.724477 0.421235 1.05655  0.0409775   -0.171734   0.0622096   71  HIS   A HA   
868  H HB2  . HIS   A 59  ? 0.752398 0.470434 1.04252  0.0949635   -0.169091   0.012512    71  HIS   A HB2  
869  H HB3  . HIS   A 59  ? 0.797423 0.466573 1.14743  0.0902917   -0.195609   0.0164739   71  HIS   A HB3  
871  H HD2  . HIS   A 59  ? 0.867208 0.521467 1.24389  0.0646726   -0.20489    -0.01303    71  HIS   A HD2  
872  H HE1  . HIS   A 59  ? 0.792934 0.531175 1.04084  0.110918    -0.170068   -0.0947519  71  HIS   A HE1  
874  N N    . ASP   A 60  ? 0.798592 0.5228   1.09489  0.0498334   -0.163404   0.118746    72  ASP   A N    
875  C CA   . ASP   A 60  ? 0.830406 0.547056 1.14114  0.0436858   -0.173163   0.160662    72  ASP   A CA   
876  C C    . ASP   A 60  ? 0.821154 0.539819 1.1354   0.0121048   -0.167704   0.203927    72  ASP   A C    
877  O O    . ASP   A 60  ? 0.921241 0.627803 1.25375  0.00379159  -0.17891    0.243396    72  ASP   A O    
878  C CB   . ASP   A 60  ? 0.921168 0.673231 1.19388  0.0498267   -0.163306   0.171784    72  ASP   A CB   
879  C CG   . ASP   A 60  ? 0.943895 0.704236 1.21512  0.0795862   -0.166528   0.138826    72  ASP   A CG   
880  O OD1  . ASP   A 60  ? 1.09893  0.830479 1.40635  0.0994448   -0.182193   0.113996    72  ASP   A OD1  
881  O OD2  . ASP   A 60  ? 0.897741 0.694746 1.13331  0.0821192   -0.152998   0.136877    72  ASP   A OD2  
882  H H    . ASP   A 60  ? 0.758316 0.506047 1.02419  0.0555481   -0.151041   0.105053    72  ASP   A H    
883  H HA   . ASP   A 60  ? 0.86988  0.558105 1.21532  0.0552338   -0.191032   0.156812    72  ASP   A HA   
884  H HB2  . ASP   A 60  ? 0.875876 0.653497 1.11539  0.0388298   -0.146467   0.172755    72  ASP   A HB2  
885  H HB3  . ASP   A 60  ? 0.92142  0.669518 1.20293  0.043878    -0.171185   0.202406    72  ASP   A HB3  
886  N N    . ARG   A 61  ? 0.787488 0.525747 1.08375  -0.00515778 -0.149636   0.199387    73  ARG   A N    
887  C CA   . ARG   A 61  ? 0.808981 0.554809 1.11333  -0.0347425  -0.141754   0.237897    73  ARG   A CA   
888  C C    . ARG   A 61  ? 0.782225 0.496794 1.14007  -0.0443222  -0.15442    0.231449    73  ARG   A C    
889  O O    . ARG   A 61  ? 0.737081 0.459275 1.11123  -0.0699931  -0.147477   0.260872    73  ARG   A O    
890  C CB   . ARG   A 61  ? 0.811756 0.605451 1.06351  -0.0461397  -0.112566   0.237531    73  ARG   A CB   
891  C CG   . ARG   A 61  ? 0.787314 0.606971 0.9948   -0.0413638  -0.106086   0.251105    73  ARG   A CG   
892  C CD   . ARG   A 61  ? 0.728531 0.588784 0.884021 -0.0454203  -0.0818537  0.238998    73  ARG   A CD   
893  N NE   . ARG   A 61  ? 0.792862 0.655167 0.935777 -0.0283439  -0.0760293  0.194531    73  ARG   A NE   
894  C CZ   . ARG   A 61  ? 0.690937 0.563456 0.809271 -0.0120213  -0.0751306  0.17471     73  ARG   A CZ   
895  N NH1  . ARG   A 61  ? 0.771766 0.647925 0.885169 -0.0053291  -0.084912   0.188781    73  ARG   A NH1  
896  N NH2  . ARG   A 61  ? 0.640833 0.520282 0.744134 -0.00203024 -0.066105   0.142367    73  ARG   A NH2  
897  H H    . ARG   A 61  ? 0.766631 0.516614 1.0452   0.00185098  -0.14115    0.172685    73  ARG   A H    
898  H HA   . ARG   A 61  ? 0.830206 0.571524 1.14021  -0.0402374  -0.148328   0.269311    73  ARG   A HA   
899  H HB2  . ARG   A 61  ? 0.774269 0.573207 1.01674  -0.0379046  -0.106655   0.207217    73  ARG   A HB2  
900  H HB3  . ARG   A 61  ? 0.807815 0.611191 1.06527  -0.064706   -0.104614   0.258354    73  ARG   A HB3  
901  H HG2  . ARG   A 61  ? 0.810433 0.630381 1.02221  -0.0521123  -0.110197   0.284353    73  ARG   A HG2  
902  H HG3  . ARG   A 61  ? 0.782915 0.590881 0.995143 -0.0239799  -0.116943   0.23695     73  ARG   A HG3  
903  H HD2  . ARG   A 61  ? 0.758544 0.632314 0.910395 -0.0606588  -0.0699307  0.24961     73  ARG   A HD2  
904  H HD3  . ARG   A 61  ? 0.762037 0.636648 0.8947   -0.0452432  -0.0813676  0.251865    73  ARG   A HD3  
905  H HE   . ARG   A 61  ? 0.73858  0.596483 0.891838 -0.0295221  -0.0730303  0.181308    73  ARG   A HE   
906  H HH11 . ARG   A 61  ? 0.768604 0.627995 0.905457 -0.00143105 -0.0985633  0.200387    73  ARG   A HH11 
907  H HH12 . ARG   A 61  ? 0.739183 0.634453 0.827858 -0.00464694 -0.0787419  0.186535    73  ARG   A HH12 
908  H HH21 . ARG   A 61  ? 0.637552 0.521307 0.737418 -0.0074892  -0.0574652  0.134814    73  ARG   A HH21 
909  H HH22 . ARG   A 61  ? 0.639105 0.520046 0.736588 0.0102454   -0.0686276  0.129082    73  ARG   A HH22 
910  N N    . ASN   A 62  ? 0.769329 0.454178 1.15232  -0.0237701  -0.171719   0.19019     74  ASN   A N    
911  C CA   . ASN   A 62  ? 0.843358 0.496626 1.27703  -0.0286906  -0.188597   0.171643    74  ASN   A CA   
912  C C    . ASN   A 62  ? 0.772098 0.450715 1.2076   -0.0519973  -0.1732     0.174766    74  ASN   A C    
913  O O    . ASN   A 62  ? 0.841066 0.499473 1.32745  -0.0689897  -0.185606   0.182756    74  ASN   A O    
914  C CB   . ASN   A 62  ? 0.881209 0.486943 1.37363  -0.0344098  -0.21479    0.198345    74  ASN   A CB   
915  C CG   . ASN   A 62  ? 0.905159 0.46566  1.45485  -0.0295763  -0.241338   0.166078    74  ASN   A CG   
916  O OD1  . ASN   A 62  ? 0.909072 0.46003  1.45389  -0.00458424 -0.25044    0.114741    74  ASN   A OD1  
917  N ND2  . ASN   A 62  ? 0.901134 0.434602 1.50643  -0.0544618  -0.254648   0.195329    74  ASN   A ND2  
918  H H    . ASN   A 62  ? 0.776511 0.462612 1.14363  -0.00515966 -0.173473   0.170951    74  ASN   A H    
919  H HA   . ASN   A 62  ? 0.812102 0.457406 1.24275  -0.00975459 -0.195308   0.135135    74  ASN   A HA   
920  H HB2  . ASN   A 62  ? 0.891772 0.489517 1.37816  -0.0199472  -0.220995   0.202127    74  ASN   A HB2  
921  H HB3  . ASN   A 62  ? 0.894534 0.507167 1.39541  -0.0562274  -0.209131   0.235566    74  ASN   A HB3  
922  H HD21 . ASN   A 62  ? 0.921471 0.442417 1.55443  -0.0600366  -0.263656   0.178289    74  ASN   A HD21 
923  H HD22 . ASN   A 62  ? 0.933149 0.461647 1.54899  -0.0662542  -0.255125   0.232947    74  ASN   A HD22 
924  N N    . GLU   A 63  ? 0.701182 0.423521 1.08721  -0.0528032  -0.14743    0.168072    75  GLU   A N    
925  C CA   . GLU   A 63  ? 0.706084 0.458314 1.09498  -0.072944   -0.130416   0.173382    75  GLU   A CA   
926  C C    . GLU   A 63  ? 0.584932 0.368499 0.926194 -0.0589302  -0.112752   0.141212    75  GLU   A C    
927  O O    . GLU   A 63  ? 0.546684 0.339997 0.844439 -0.0438232  -0.104917   0.133894    75  GLU   A O    
928  C CB   . GLU   A 63  ? 0.76835  0.547384 1.1554   -0.100251   -0.112054   0.222981    75  GLU   A CB   
929  C CG   . GLU   A 63  ? 0.791311 0.609325 1.11629  -0.0987651  -0.0871461  0.234992    75  GLU   A CG   
930  C CD   . GLU   A 63  ? 0.893323 0.751502 1.20133  -0.123109   -0.0630908  0.274904    75  GLU   A CD   
931  O OE1  . GLU   A 63  ? 0.808106 0.701265 1.06351  -0.120448   -0.0419988  0.272642    75  GLU   A OE1  
932  O OE2  . GLU   A 63  ? 0.954964 0.810931 1.30162  -0.145397   -0.0652209  0.309325    75  GLU   A OE2  
933  H H    . GLU   A 63  ? 0.696865 0.430963 1.04919  -0.0400423  -0.140551   0.159254    75  GLU   A H    
934  H HA   . GLU   A 63  ? 0.70637  0.441759 1.13309  -0.0775031  -0.143453   0.163482    75  GLU   A HA   
935  H HB2  . GLU   A 63  ? 0.762473 0.555496 1.16834  -0.113584   -0.105434   0.224882    75  GLU   A HB2  
936  H HB3  . GLU   A 63  ? 0.795293 0.553248 1.207    -0.107388   -0.123829   0.24741     75  GLU   A HB3  
937  H HG2  . GLU   A 63  ? 0.806641 0.612401 1.11847  -0.0885176  -0.0949886  0.238801    75  GLU   A HG2  
938  H HG3  . GLU   A 63  ? 0.769887 0.601488 1.0716   -0.0882517  -0.0787575  0.208121    75  GLU   A HG3  
939  N N    . PRO   A 64  ? 0.585829 0.384176 0.938256 -0.0627273  -0.108746   0.121267    76  PRO   A N    
940  C CA   . PRO   A 64  ? 0.517174 0.338881 0.829402 -0.0476206  -0.0962017  0.0920218   76  PRO   A CA   
941  C C    . PRO   A 64  ? 0.462091 0.317756 0.728635 -0.0520942  -0.0687092  0.108739    76  PRO   A C    
942  O O    . PRO   A 64  ? 0.503066 0.375203 0.77304  -0.0708497  -0.056057   0.14039     76  PRO   A O    
943  C CB   . PRO   A 64  ? 0.522033 0.353467 0.866798 -0.0548923  -0.100211   0.077073    76  PRO   A CB   
944  C CG   . PRO   A 64  ? 0.59916  0.402358 1.00479  -0.0697074  -0.122045   0.0881957   76  PRO   A CG   
945  C CD   . PRO   A 64  ? 0.589425 0.385368 0.996209 -0.0824744  -0.116467   0.128545    76  PRO   A CD   
946  H HA   . PRO   A 64  ? 0.516249 0.324738 0.815074 -0.030412   -0.105194   0.0712595   76  PRO   A HA   
947  H HB2  . PRO   A 64  ? 0.517126 0.374908 0.857349 -0.0647389  -0.0834718  0.0882053   76  PRO   A HB2  
948  H HB3  . PRO   A 64  ? 0.520932 0.350096 0.854493 -0.0404078  -0.106725   0.0502956   76  PRO   A HB3  
949  H HG2  . PRO   A 64  ? 0.582527 0.39872  1.01596  -0.0827896  -0.120587   0.0920783   76  PRO   A HG2  
950  H HG3  . PRO   A 64  ? 0.593802 0.372138 1.00933  -0.0577982  -0.140986   0.0663252   76  PRO   A HG3  
951  H HD2  . PRO   A 64  ? 0.596979 0.416729 1.00556  -0.0986977  -0.100731   0.152172    76  PRO   A HD2  
952  H HD3  . PRO   A 64  ? 0.625688 0.393222 1.06604  -0.0862705  -0.134051   0.134433    76  PRO   A HD3  
953  N N    . PHE   A 65  ? 0.427775 0.294412 0.651862 -0.0353374  -0.060057   0.0869244   77  PHE   A N    
954  C CA   . PHE   A 65  ? 0.432232 0.329151 0.616585 -0.0387297  -0.0358888  0.0936861   77  PHE   A CA   
955  C C    . PHE   A 65  ? 0.433223 0.351014 0.623805 -0.0401526  -0.0250033  0.0790218   77  PHE   A C    
956  O O    . PHE   A 65  ? 0.388718 0.298129 0.589474 -0.0286395  -0.0363211  0.0552426   77  PHE   A O    
957  C CB   . PHE   A 65  ? 0.449251 0.344005 0.592549 -0.021494   -0.0346651  0.0797328   77  PHE   A CB   
958  C CG   . PHE   A 65  ? 0.393726 0.314178 0.498273 -0.0233763  -0.0134516  0.0791554   77  PHE   A CG   
959  C CD1  . PHE   A 65  ? 0.421486 0.358727 0.505397 -0.0353905  -0.00156163 0.10088     77  PHE   A CD1  
960  C CD2  . PHE   A 65  ? 0.399406 0.327759 0.489606 -0.0141057  -0.00605768 0.0570869   77  PHE   A CD2  
961  C CE1  . PHE   A 65  ? 0.42783  0.386791 0.476713 -0.0365866  0.0161901   0.0945367   77  PHE   A CE1  
962  C CE2  . PHE   A 65  ? 0.389707 0.336765 0.449726 -0.0159553  0.0120364   0.0545418   77  PHE   A CE2  
963  C CZ   . PHE   A 65  ? 0.427726 0.388929 0.467184 -0.026718   0.0226304   0.0704923   77  PHE   A CZ   
964  H H    . PHE   A 65  ? 0.433248 0.28794  0.653742 -0.0215057  -0.0698648  0.066672    77  PHE   A H    
965  H HA   . PHE   A 65  ? 0.447806 0.353983 0.631563 -0.0514439  -0.0284891  0.116921    77  PHE   A HA   
966  H HB2  . PHE   A 65  ? 0.443968 0.329048 0.587371 -0.0207997  -0.0414425  0.0906809   77  PHE   A HB2  
967  H HB3  . PHE   A 65  ? 0.426784 0.312288 0.57139  -0.00911269 -0.0428065  0.0594274   77  PHE   A HB3  
968  H HD1  . PHE   A 65  ? 0.436461 0.369125 0.528689 -0.0417885  -0.00719078 0.119174    77  PHE   A HD1  
969  H HD2  . PHE   A 65  ? 0.390765 0.310649 0.492068 -0.00607127 -0.0145999  0.0433601   77  PHE   A HD2  
970  H HE1  . PHE   A 65  ? 0.43709  0.408551 0.469205 -0.0442701  0.0228204   0.10699     77  PHE   A HE1  
971  H HE2  . PHE   A 65  ? 0.386503 0.335215 0.439493 -0.00901702 0.0153604   0.0409884   77  PHE   A HE2  
972  H HZ   . PHE   A 65  ? 0.412637 0.38547  0.43237  -0.0278602  0.0337643   0.0655926   77  PHE   A HZ   
973  N N    . VAL   A 66  ? 0.436997 0.383874 0.623132 -0.0537197  -0.00405453 0.0939484   78  VAL   A N    
974  C CA   . VAL   A 66  ? 0.436615 0.407356 0.643886 -0.0578546  0.00656136  0.0861709   78  VAL   A CA   
975  C C    . VAL   A 66  ? 0.434588 0.428201 0.603191 -0.0523217  0.028665    0.07788     78  VAL   A C    
976  O O    . VAL   A 66  ? 0.438553 0.443027 0.577238 -0.0585959  0.0415444   0.0911248   78  VAL   A O    
977  C CB   . VAL   A 66  ? 0.464916 0.455096 0.712709 -0.0800635  0.0135921   0.111259    78  VAL   A CB   
978  C CG1  . VAL   A 66  ? 0.465286 0.487183 0.73671  -0.0814395  0.0265399   0.10049     78  VAL   A CG1  
979  C CG2  . VAL   A 66  ? 0.500832 0.46266  0.792586 -0.0890579  -0.0102238  0.123001    78  VAL   A CG2  
980  H H    . VAL   A 66  ? 0.444197 0.398722 0.613489 -0.0599745  0.0041532   0.109117    78  VAL   A H    
981  H HA   . VAL   A 66  ? 0.432062 0.393084 0.65232  -0.0490949  -0.00512338 0.0692389   78  VAL   A HA   
982  H HB   . VAL   A 66  ? 0.476226 0.479404 0.705435 -0.0881663  0.026459    0.128577    78  VAL   A HB   
983  H HG11 . VAL   A 66  ? 0.451046 0.463279 0.727934 -0.0696981  0.0156694   0.0805837   78  VAL   A HG11 
984  H HG12 . VAL   A 66  ? 0.457534 0.499553 0.705555 -0.0800572  0.044541    0.0996623   78  VAL   A HG12 
985  H HG13 . VAL   A 66  ? 0.473921 0.506941 0.780103 -0.0952288  0.0272399   0.114377    78  VAL   A HG13 
986  H HG21 . VAL   A 66  ? 0.50715  0.483185 0.828916 -0.104539   -0.00539976 0.139401    78  VAL   A HG21 
987  H HG22 . VAL   A 66  ? 0.506792 0.452416 0.785272 -0.0888565  -0.0156516  0.13387     78  VAL   A HG22 
988  H HG23 . VAL   A 66  ? 0.491169 0.437511 0.795519 -0.0793931  -0.0253263  0.103008    78  VAL   A HG23 
989  N N    . PHE   A 67  ? 0.396957 0.395681 0.56503  -0.0393983  0.0306524   0.0548332   79  PHE   A N    
990  C CA   . PHE   A 67  ? 0.372886 0.38958  0.512265 -0.0343976  0.050711    0.0457997   79  PHE   A CA   
991  C C    . PHE   A 67  ? 0.370351 0.398638 0.533199 -0.0248616  0.0525768   0.0285809   79  PHE   A C    
992  O O    . PHE   A 67  ? 0.338569 0.359436 0.531768 -0.0208298  0.0354535   0.0225459   79  PHE   A O    
993  C CB   . PHE   A 67  ? 0.404906 0.404057 0.500701 -0.0230154  0.0486829   0.0357313   79  PHE   A CB   
994  C CG   . PHE   A 67  ? 0.4011   0.379533 0.493922 -0.00629066 0.03307     0.0185296   79  PHE   A CG   
995  C CD1  . PHE   A 67  ? 0.385458 0.344731 0.488402 -0.00141365 0.0130129   0.0169244   79  PHE   A CD1  
996  C CD2  . PHE   A 67  ? 0.384054 0.363246 0.464778 0.0050091   0.0383789   0.00400934  79  PHE   A CD2  
997  C CE1  . PHE   A 67  ? 0.406748 0.353063 0.500011 0.0144799   0.00033719  0.00093911  79  PHE   A CE1  
998  C CE2  . PHE   A 67  ? 0.392876 0.35624  0.464821 0.0192188   0.0250694   -0.00658187 79  PHE   A CE2  
999  C CZ   . PHE   A 67  ? 0.378838 0.329093 0.45473  0.0240054   0.00716523  -0.00840602 79  PHE   A CZ   
1000 H H    . PHE   A 67  ? 0.394339 0.384576 0.580225 -0.0335753  0.0184969   0.0448562   79  PHE   A H    
1001 H HA   . PHE   A 67  ? 0.393541 0.428768 0.529021 -0.0446737  0.0646748   0.0572334   79  PHE   A HA   
1002 H HB2  . PHE   A 67  ? 0.397988 0.40853  0.477612 -0.022716   0.0620614   0.0310834   79  PHE   A HB2  
1003 H HB3  . PHE   A 67  ? 0.404489 0.396803 0.488792 -0.0275994  0.0449591   0.0462911   79  PHE   A HB3  
1004 H HD1  . PHE   A 67  ? 0.402922 0.357996 0.517942 -0.00850993 0.007865    0.0267477   79  PHE   A HD1  
1005 H HD2  . PHE   A 67  ? 0.39081  0.38071  0.465841 0.00306239  0.0513896   0.00214279  79  PHE   A HD2  
1006 H HE1  . PHE   A 67  ? 0.400442 0.335626 0.498522 0.0189318   -0.012724   -0.00308404 79  PHE   A HE1  
1007 H HE2  . PHE   A 67  ? 0.384457 0.347116 0.449169 0.0260161   0.0282094   -0.0128861  79  PHE   A HE2  
1008 H HZ   . PHE   A 67  ? 0.387557 0.331347 0.455569 0.0339975   -0.00101127 -0.0160758  79  PHE   A HZ   
1009 N N    . SER   A 68  ? 0.402007 0.450639 0.553973 -0.021765   0.0726408   0.0206826   80  SER   A N    
1010 C CA   . SER   A 68  ? 0.381962 0.4431   0.559634 -0.0104494  0.0750984   0.00517114  80  SER   A CA   
1011 C C    . SER   A 68  ? 0.323785 0.359812 0.473221 0.00674563  0.0671822   -0.00999828 80  SER   A C    
1012 O O    . SER   A 68  ? 0.354181 0.382082 0.468964 0.00824808  0.0760333   -0.0135568  80  SER   A O    
1013 C CB   . SER   A 68  ? 0.375115 0.472579 0.564481 -0.0136119  0.100781    0.00223943  80  SER   A CB   
1014 O OG   . SER   A 68  ? 0.407391 0.533188 0.627012 -0.03076    0.108953    0.0199457   80  SER   A OG   
1015 H H    . SER   A 68  ? 0.397035 0.451787 0.526302 -0.0259557  0.0839168   0.0241092   80  SER   A H    
1016 H HA   . SER   A 68  ? 0.367724 0.429585 0.57478  -0.0110146  0.0633442   0.00626548  80  SER   A HA   
1017 H HB2  . SER   A 68  ? 0.390378 0.487615 0.549741 -0.013971   0.111548    -0.00036065 80  SER   A HB2  
1018 H HB3  . SER   A 68  ? 0.380475 0.483307 0.587358 -0.00310871 0.100815    -0.00955145 80  SER   A HB3  
1020 N N    . LEU   A 69  ? 0.316929 0.343243 0.483092 0.0191722   0.0501051   -0.0182815  81  LEU   A N    
1021 C CA   . LEU   A 69  ? 0.305714 0.308049 0.443267 0.0333493   0.0409069   -0.0260255  81  LEU   A CA   
1022 C C    . LEU   A 69  ? 0.305523 0.30961  0.437928 0.0423283   0.0545435   -0.0353826  81  LEU   A C    
1023 O O    . LEU   A 69  ? 0.348542 0.372506 0.511193 0.0462942   0.0633987   -0.041709   81  LEU   A O    
1024 C CB   . LEU   A 69  ? 0.378004 0.374337 0.53249  0.0439696   0.0180701   -0.0305563  81  LEU   A CB   
1025 C CG   . LEU   A 69  ? 0.421416 0.397088 0.545089 0.0581979   0.00686584  -0.0339678  81  LEU   A CG   
1026 C CD1  . LEU   A 69  ? 0.429539 0.389041 0.518482 0.0555198   0.00321938  -0.0304033  81  LEU   A CD1  
1027 C CD2  . LEU   A 69  ? 0.502846 0.483464 0.648529 0.0688717   -0.0147985  -0.0392157  81  LEU   A CD2  
1028 H H    . LEU   A 69  ? 0.315176 0.351389 0.510615 0.018241    0.0438055   -0.0180464  81  LEU   A H    
1029 H HA   . LEU   A 69  ? 0.31909  0.308926 0.431191 0.0302341   0.0397007   -0.0221733  81  LEU   A HA   
1030 H HB2  . LEU   A 69  ? 0.366998 0.361473 0.528556 0.0382086   0.00896048  -0.0276866  81  LEU   A HB2  
1031 H HB3  . LEU   A 69  ? 0.368565 0.379148 0.550645 0.0471067   0.0183266   -0.0338442  81  LEU   A HB3  
1032 H HG   . LEU   A 69  ? 0.430552 0.403713 0.547318 0.0624806   0.0156645   -0.0351518  81  LEU   A HG   
1033 H HD11 . LEU   A 69  ? 0.423854 0.382286 0.500302 0.0488336   0.0153051   -0.0268757  81  LEU   A HD11 
1034 H HD12 . LEU   A 69  ? 0.431227 0.38235  0.502741 0.0640704   -0.0028712  -0.0314163  81  LEU   A HD12 
1035 H HD13 . LEU   A 69  ? 0.426817 0.386559 0.524541 0.0521405   -0.00552479 -0.0306343  81  LEU   A HD13 
1036 H HD21 . LEU   A 69  ? 0.476516 0.468826 0.645972 0.0721963   -0.0122815  -0.0410553  81  LEU   A HD21 
1037 H HD22 . LEU   A 69  ? 0.476202 0.459746 0.634294 0.0636653   -0.0236723  -0.0405036  81  LEU   A HD22 
1038 H HD23 . LEU   A 69  ? 0.484016 0.454328 0.60828  0.0775862   -0.0228601  -0.0394565  81  LEU   A HD23 
1039 N N    . GLY   A 70  ? 0.35233  0.335825 0.44952  0.0452044   0.056435    -0.0369265  82  GLY   A N    
1040 C CA   . GLY   A 70  ? 0.392602 0.365857 0.487585 0.0559213   0.0614986   -0.0458709  82  GLY   A CA   
1041 C C    . GLY   A 70  ? 0.500778 0.484664 0.593252 0.0514026   0.0824659   -0.0563142  82  GLY   A C    
1042 O O    . GLY   A 70  ? 0.537163 0.512554 0.63769  0.0618163   0.0869271   -0.0678201  82  GLY   A O    
1043 H H    . GLY   A 70  ? 0.345702 0.321176 0.422899 0.0401208   0.053962    -0.0319749  82  GLY   A H    
1044 H HA2  . GLY   A 70  ? 0.406182 0.361834 0.480048 0.0579135   0.0559549   -0.0430959  82  GLY   A HA2  
1045 H HA3  . GLY   A 70  ? 0.404769 0.381459 0.522149 0.0650923   0.0553509   -0.0481829  82  GLY   A HA3  
1046 N N    . LYS   A 71  ? 0.459452 0.462708 0.543285 0.0370137   0.0937214   -0.0520193  83  LYS   A N    
1047 C CA   . LYS   A 71  ? 0.486412 0.506582 0.558928 0.031085    0.114279    -0.0621419  83  LYS   A CA   
1048 C C    . LYS   A 71  ? 0.510872 0.516247 0.540708 0.0221446   0.114716    -0.0617789  83  LYS   A C    
1049 O O    . LYS   A 71  ? 0.5442   0.561529 0.555369 0.0163003   0.128443    -0.0717831  83  LYS   A O    
1050 C CB   . LYS   A 71  ? 0.44405  0.501651 0.537773 0.0217952   0.126865    -0.0552584  83  LYS   A CB   
1051 H H    . LYS   A 71  ? 0.459718 0.465602 0.543602 0.0309287   0.0875911   -0.0422043  83  LYS   A H    
1052 H HA   . LYS   A 71  ? 0.488191 0.506506 0.571784 0.04059     0.119138    -0.0751135  83  LYS   A HA   
1055 N N    . GLY   A 72  ? 0.549715 0.530055 0.563438 0.0225825   0.0996921   -0.0537724  84  GLY   A N    
1056 C CA   . GLY   A 72  ? 0.592538 0.565939 0.572189 0.0124451   0.0991684   -0.0513698  84  GLY   A CA   
1057 C C    . GLY   A 72  ? 0.632378 0.627576 0.595937 -0.00161298 0.104075    -0.0400382  84  GLY   A C    
1058 O O    . GLY   A 72  ? 0.589827 0.587139 0.525657 -0.00994912 0.10593     -0.041683   84  GLY   A O    
1059 H H    . GLY   A 72  ? 0.537012 0.50726  0.560781 0.029175    0.0898029   -0.0499242  84  GLY   A H    
1060 H HA2  . GLY   A 72  ? 0.583219 0.542316 0.557694 0.0142487   0.0887422   -0.0446873  84  GLY   A HA2  
1061 H HA3  . GLY   A 72  ? 0.604013 0.572302 0.576401 0.0131851   0.104775    -0.0636427  84  GLY   A HA3  
1062 N N    . GLN   A 73  ? 0.533691 0.544106 0.516384 -0.00499626 0.1038      -0.0267519  85  GLN   A N    
1063 C CA   . GLN   A 73  ? 0.476027 0.500229 0.449911 -0.0180088  0.10299     -0.00750091 85  GLN   A CA   
1064 C C    . GLN   A 73  ? 0.476062 0.481445 0.436734 -0.0187446  0.0861208   0.00387912  85  GLN   A C    
1065 O O    . GLN   A 73  ? 0.421455 0.43317  0.371149 -0.0278434  0.0823677   0.0199592   85  GLN   A O    
1066 C CB   . GLN   A 73  ? 0.447079 0.484717 0.455307 -0.021357   0.103027    0.00485759  85  GLN   A CB   
1067 C CG   . GLN   A 73  ? 0.493105 0.565023 0.513746 -0.027208   0.123648    0.00343201  85  GLN   A CG   
1068 C CD   . GLN   A 73  ? 0.474193 0.560512 0.53773  -0.0319271  0.122553    0.0161683   85  GLN   A CD   
1069 O OE1  . GLN   A 73  ? 0.484606 0.55403  0.566461 -0.03389    0.104874    0.0280957   85  GLN   A OE1  
1070 N NE2  . GLN   A 73  ? 0.540055 0.660642 0.623829 -0.034075   0.141853    0.0121691   85  GLN   A NE2  
1071 H H    . GLN   A 73  ? 0.531346 0.542785 0.536291 0.00086695  0.10287     -0.0287916  85  GLN   A H    
1072 H HA   . GLN   A 73  ? 0.49835  0.537266 0.454751 -0.0244594  0.112992    -0.00923629 85  GLN   A HA   
1073 H HB2  . GLN   A 73  ? 0.450145 0.476892 0.476941 -0.0131835  0.0951074   -3.804e-05  85  GLN   A HB2  
1074 H HB3  . GLN   A 73  ? 0.460347 0.495774 0.467388 -0.0279322  0.0959772   0.0196885   85  GLN   A HB3  
1075 H HG2  . GLN   A 73  ? 0.496372 0.581944 0.496146 -0.03605    0.131206    0.010317    85  GLN   A HG2  
1076 H HG3  . GLN   A 73  ? 0.484752 0.558716 0.506811 -0.0192649  0.13096     -0.0133277  85  GLN   A HG3  
1077 H HE21 . GLN   A 73  ? 0.519268 0.651756 0.63196  -0.0380567  0.141999    0.0198942   85  GLN   A HE21 
1078 H HE22 . GLN   A 73  ? 0.531008 0.663613 0.600769 -0.0313985  0.154592    0.00093378  85  GLN   A HE22 
1079 N N    . VAL   A 74  ? 0.369963 0.354563 0.334014 -0.00800598 0.0759426   -0.00321702 86  VAL   A N    
1080 C CA   . VAL   A 74  ? 0.357934 0.329376 0.312034 -0.00553713 0.0625058   0.0036032   86  VAL   A CA   
1081 C C    . VAL   A 74  ? 0.349877 0.309271 0.290504 -3.228e-05  0.062167    -0.00658362 86  VAL   A C    
1082 O O    . VAL   A 74  ? 0.392423 0.348225 0.33551  0.00276183  0.06961     -0.0180191  86  VAL   A O    
1083 C CB   . VAL   A 74  ? 0.384589 0.346041 0.360454 0.00285927  0.0491604   0.00695437  86  VAL   A CB   
1084 C CG1  . VAL   A 74  ? 0.401087 0.369072 0.397231 -0.00474626 0.0457327   0.0197572   86  VAL   A CG1  
1085 C CG2  . VAL   A 74  ? 0.397797 0.353387 0.388495 0.013594    0.0477526   -0.00424453 86  VAL   A CG2  
1086 H H    . VAL   A 74  ? 0.388804 0.369088 0.362343 -0.00134939 0.0776271   -0.0120356  86  VAL   A H    
1087 H HA   . VAL   A 74  ? 0.369597 0.347254 0.313391 -0.012379   0.0617588   0.0119383   86  VAL   A HA   
1088 H HB   . VAL   A 74  ? 0.379499 0.334042 0.34758  0.00670544  0.0418951   0.00828766  86  VAL   A HB   
1089 H HG11 . VAL   A 74  ? 0.400789 0.380146 0.405357 -0.0096444  0.0545876   0.0200355   86  VAL   A HG11 
1090 H HG12 . VAL   A 74  ? 0.402852 0.372871 0.38982  -0.0103105  0.0443252   0.0293262   86  VAL   A HG12 
1091 H HG13 . VAL   A 74  ? 0.393967 0.353477 0.405283 0.00072241  0.0356148   0.0184414   86  VAL   A HG13 
1092 H HG21 . VAL   A 74  ? 0.388632 0.338958 0.389449 0.0189875   0.0375765   -0.00398958 86  VAL   A HG21 
1093 H HG22 . VAL   A 74  ? 0.392296 0.341727 0.371473 0.0176503   0.0493346   -0.00923912 86  VAL   A HG22 
1094 H HG23 . VAL   A 74  ? 0.394083 0.358446 0.396848 0.0111538   0.0547392   -0.00634325 86  VAL   A HG23 
1095 N N    . ILE   A 75  ? 0.368146 0.322378 0.298485 0.00139926  0.0540172   -0.00177013 87  ILE   A N    
1096 C CA   . ILE   A 75  ? 0.367759 0.31301  0.288883 0.00372965  0.0542647   -0.00700615 87  ILE   A CA   
1097 C C    . ILE   A 75  ? 0.370095 0.302875 0.302296 0.0152903   0.0523976   -0.0110221  87  ILE   A C    
1098 O O    . ILE   A 75  ? 0.371174 0.303872 0.316775 0.0231233   0.0470234   -0.0105555  87  ILE   A O    
1099 C CB   . ILE   A 75  ? 0.368173 0.317923 0.281596 0.00358378  0.0471294   0.00073535  87  ILE   A CB   
1100 C CG1  . ILE   A 75  ? 0.359829 0.308881 0.283253 0.0153827   0.0377531   0.00497392  87  ILE   A CG1  
1101 C CG2  . ILE   A 75  ? 0.384631 0.347773 0.286654 -0.00817345 0.0468734   0.00512153  87  ILE   A CG2  
1102 C CD1  . ILE   A 75  ? 0.370669 0.328264 0.289267 0.0190208   0.0333521   0.00928149  87  ILE   A CD1  
1103 H H    . ILE   A 75  ? 0.360199 0.317376 0.291447 0.0006768   0.0484127   0.00565069  87  ILE   A H    
1104 H HA   . ILE   A 75  ? 0.378567 0.324627 0.292728 -0.00237861 0.0601338   -0.012718   87  ILE   A HA   
1105 H HB   . ILE   A 75  ? 0.371442 0.316722 0.281712 0.00411589  0.0482982   -0.00094673 87  ILE   A HB   
1106 H HG12 . ILE   A 75  ? 0.362097 0.313005 0.292246 0.0140662   0.0350162   0.00797723  87  ILE   A HG12 
1107 H HG13 . ILE   A 75  ? 0.361869 0.304592 0.289548 0.0221516   0.0369676   0.00134342  87  ILE   A HG13 
1108 H HG21 . ILE   A 75  ? 0.379701 0.3473   0.279931 -0.00812534 0.0428278   0.00866304  87  ILE   A HG21 
1109 H HG22 . ILE   A 75  ? 0.38159  0.349547 0.28643  -0.00895398 0.0447083   0.0108876   87  ILE   A HG22 
1110 H HG23 . ILE   A 75  ? 0.390441 0.353986 0.285127 -0.0147527  0.0522565   -0.0012646  87  ILE   A HG23 
1111 H HD11 . ILE   A 75  ? 0.36894  0.326706 0.282006 0.0177276   0.0370328   0.00879454  87  ILE   A HD11 
1112 H HD12 . ILE   A 75  ? 0.365136 0.322249 0.288974 0.028344    0.0280794   0.00818628  87  ILE   A HD12 
1113 H HD13 . ILE   A 75  ? 0.367922 0.332809 0.285252 0.013514    0.0318768   0.0135821   87  ILE   A HD13 
1114 N N    . LYS   A 76  ? 0.420881 0.342706 0.349184 0.0153639   0.0553124   -0.0143345  88  LYS   A N    
1115 C CA   . LYS   A 76  ? 0.342094 0.250662 0.280821 0.0256198   0.0534357   -0.0155305  88  LYS   A CA   
1116 C C    . LYS   A 76  ? 0.332857 0.244115 0.269906 0.0359746   0.043643    -0.00750228 88  LYS   A C    
1117 O O    . LYS   A 76  ? 0.371178 0.280295 0.318302 0.0460961   0.0376761   -0.00839949 88  LYS   A O    
1118 C CB   . LYS   A 76  ? 0.397215 0.289718 0.334215 0.0214736   0.0569872   -0.0173405  88  LYS   A CB   
1119 H H    . LYS   A 76  ? 0.394285 0.316291 0.314619 0.00845888  0.0573639   -0.0148545  88  LYS   A H    
1120 H HA   . LYS   A 76  ? 0.362762 0.272675 0.312811 0.028367    0.055772    -0.021282   88  LYS   A HA   
1123 N N    . ALA   A 77  ? 0.378962 0.298916 0.303938 0.0346043   0.0409635   -0.00163922 89  ALA   A N    
1124 C CA   . ALA   A 77  ? 0.382963 0.309648 0.30234  0.0460455   0.0327343   0.00150149  89  ALA   A CA   
1125 C C    . ALA   A 77  ? 0.380031 0.30865  0.311273 0.0535634   0.0236124   -0.0056292  89  ALA   A C    
1126 O O    . ALA   A 77  ? 0.393909 0.323377 0.324187 0.0646631   0.0148013   -0.00819303 89  ALA   A O    
1127 C CB   . ALA   A 77  ? 0.396115 0.335742 0.30537  0.0449518   0.0334815   0.00569451  89  ALA   A CB   
1128 H H    . ALA   A 77  ? 0.366118 0.289756 0.286288 0.027037    0.0442218   -0.00083571 89  ALA   A H    
1129 H HA   . ALA   A 77  ? 0.394148 0.3165   0.31002  0.0507295   0.0317497   0.00530964  89  ALA   A HA   
1130 H HB1  . ALA   A 77  ? 0.39635  0.33676  0.300133 0.0406468   0.038064    0.0115249   89  ALA   A HB1  
1131 H HB2  . ALA   A 77  ? 0.384927 0.327849 0.297764 0.0395877   0.0340079   0.00426893  89  ALA   A HB2  
1132 H HB3  . ALA   A 77  ? 0.39285  0.338338 0.298815 0.0541053   0.0285021   0.0040457   89  ALA   A HB3  
1133 N N    . TRP   A 78  ? 0.377835 0.307437 0.321859 0.0459187   0.0254294   -0.00812819 90  TRP   A N    
1134 C CA   . TRP   A 78  ? 0.365869 0.296104 0.328822 0.049339    0.0166362   -0.0127619  90  TRP   A CA   
1135 C C    . TRP   A 78  ? 0.375119 0.304243 0.354594 0.0527925   0.0156311   -0.0168272  90  TRP   A C    
1136 O O    . TRP   A 78  ? 0.393608 0.323967 0.386319 0.0602074   0.00326123  -0.0219813  90  TRP   A O    
1137 C CB   . TRP   A 78  ? 0.333596 0.26734  0.306613 0.0386607   0.0186195   -0.00833977 90  TRP   A CB   
1138 C CG   . TRP   A 78  ? 0.354602 0.287841 0.326116 0.0407608   0.0106552   -0.005791   90  TRP   A CG   
1139 C CD1  . TRP   A 78  ? 0.373529 0.310373 0.330523 0.045754    0.00980643  -0.00506887 90  TRP   A CD1  
1140 C CD2  . TRP   A 78  ? 0.361885 0.290637 0.354991 0.0386477   0.00105978  -0.00362301 90  TRP   A CD2  
1141 N NE1  . TRP   A 78  ? 0.354482 0.289257 0.322401 0.0497265   0.00016342  -0.00492716 90  TRP   A NE1  
1142 C CE2  . TRP   A 78  ? 0.347815 0.274155 0.338    0.0452123   -0.00650654 -0.00368793 90  TRP   A CE2  
1143 C CE3  . TRP   A 78  ? 0.356808 0.283994 0.375772 0.0317586   -0.00213778 -0.00114911 90  TRP   A CE3  
1144 C CZ2  . TRP   A 78  ? 0.404204 0.320801 0.416579 0.0454566   -0.0185029  -0.0013151  90  TRP   A CZ2  
1145 C CZ3  . TRP   A 78  ? 0.382234 0.300408 0.423357 0.029623    -0.0142257  0.00294504  90  TRP   A CZ3  
1146 C CH2  . TRP   A 78  ? 0.412708 0.32307  0.449955 0.0365695   -0.0226641  0.00305677  90  TRP   A CH2  
1147 H H    . TRP   A 78  ? 0.372006 0.302933 0.31333  0.0378253   0.0316902   -0.00626689 90  TRP   A H    
1148 H HA   . TRP   A 78  ? 0.366871 0.297342 0.326939 0.0571041   0.00826557  -0.0157509  90  TRP   A HA   
1149 H HB2  . TRP   A 78  ? 0.344387 0.281063 0.310713 0.0311546   0.0275885   -0.0053258  90  TRP   A HB2  
1150 H HB3  . TRP   A 78  ? 0.344898 0.279541 0.334768 0.0370689   0.0164676   -0.00944456 90  TRP   A HB3  
1151 H HD1  . TRP   A 78  ? 0.362885 0.303435 0.3071   0.0464624   0.0149295   -0.00441438 90  TRP   A HD1  
1152 H HE1  . TRP   A 78  ? 0.359374 0.297905 0.323513 0.0543633   -0.00154584 -0.00529489 90  TRP   A HE1  
1153 H HE3  . TRP   A 78  ? 0.359684 0.291822 0.384001 0.028804    0.00331861  -0.00212807 90  TRP   A HE3  
1154 H HZ2  . TRP   A 78  ? 0.398209 0.312671 0.411471 0.0516626   -0.0239255  -0.00246616 90  TRP   A HZ2  
1155 H HZ3  . TRP   A 78  ? 0.387076 0.304949 0.448526 0.0227299   -0.0161715  0.0069996   90  TRP   A HZ3  
1156 H HH2  . TRP   A 78  ? 0.414697 0.315731 0.470105 0.03568     -0.0319235  0.00582094  90  TRP   A HH2  
1157 N N    . ASP   A 79  ? 0.372666 0.300604 0.354658 0.0483085   0.0270264   -0.0168553  91  ASP   A N    
1158 C CA   . ASP   A 79  ? 0.335029 0.263989 0.337643 0.0541468   0.0267006   -0.0213844  91  ASP   A CA   
1159 C C    . ASP   A 79  ? 0.402036 0.324987 0.399193 0.0677173   0.0138911   -0.0195422  91  ASP   A C    
1160 O O    . ASP   A 79  ? 0.414277 0.342558 0.430462 0.0754718   0.00341237  -0.0229761  91  ASP   A O    
1161 C CB   . ASP   A 79  ? 0.403865 0.331334 0.410547 0.0502238   0.0409975   -0.0256805  91  ASP   A CB   
1162 C CG   . ASP   A 79  ? 0.377918 0.321101 0.394363 0.0394143   0.0533788   -0.0290482  91  ASP   A CG   
1163 O OD1  . ASP   A 79  ? 0.331884 0.286392 0.363576 0.035881    0.0494689   -0.0253477  91  ASP   A OD1  
1164 O OD2  . ASP   A 79  ? 0.378052 0.32226  0.389299 0.0355994   0.0660716   -0.0359907  91  ASP   A OD2  
1165 H H    . ASP   A 79  ? 0.364398 0.291482 0.336522 0.042167    0.0344443   -0.0153096  91  ASP   A H    
1166 H HA   . ASP   A 79  ? 0.360166 0.296936 0.380067 0.0526004   0.0239351   -0.0232175  91  ASP   A HA   
1167 H HB2  . ASP   A 79  ? 0.38695  0.306368 0.377381 0.0475231   0.0443848   -0.0240516  91  ASP   A HB2  
1168 H HB3  . ASP   A 79  ? 0.387989 0.313265 0.407805 0.0577468   0.0389952   -0.0283027  91  ASP   A HB3  
1169 N N    . ILE   A 80  ? 0.402336 0.317866 0.374389 0.0693273   0.0148023   -0.0126155  92  ILE   A N    
1170 C CA   . ILE   A 80  ? 0.410687 0.324406 0.369837 0.0808936   0.00450373  -0.00603954 92  ILE   A CA   
1171 C C    . ILE   A 80  ? 0.401685 0.326367 0.352953 0.089045    -0.00945456 -0.0116229  92  ILE   A C    
1172 O O    . ILE   A 80  ? 0.398175 0.32741  0.353433 0.0993508   -0.0233739  -0.0141545  92  ILE   A O    
1173 C CB   . ILE   A 80  ? 0.466566 0.373731 0.403248 0.0771871   0.0119505   0.00604304  92  ILE   A CB   
1174 C CG1  . ILE   A 80  ? 0.477534 0.367626 0.424797 0.0716691   0.0205267   0.00965326  92  ILE   A CG1  
1175 C CG2  . ILE   A 80  ? 0.497596 0.410771 0.413916 0.0880841   0.00263155  0.0163765   92  ILE   A CG2  
1176 C CD1  . ILE   A 80  ? 0.493772 0.378422 0.425577 0.0613738   0.028561    0.0194279   92  ILE   A CD1  
1177 H H    . ILE   A 80  ? 0.400253 0.313978 0.362954 0.0624346   0.0220879   -0.0107607  92  ILE   A H    
1178 H HA   . ILE   A 80  ? 0.423911 0.334505 0.395602 0.0859699   0.00120163  -0.00555498 92  ILE   A HA   
1179 H HB   . ILE   A 80  ? 0.452346 0.364161 0.381376 0.0711501   0.0167309   0.00482014  92  ILE   A HB   
1180 H HG12 . ILE   A 80  ? 0.491011 0.374911 0.44461  0.0790635   0.0150569   0.0143023   92  ILE   A HG12 
1181 H HG13 . ILE   A 80  ? 0.47073  0.360477 0.430523 0.0674246   0.0256403   0.0006259   92  ILE   A HG13 
1182 H HG21 . ILE   A 80  ? 0.503864 0.412183 0.41148  0.085048    0.00758764  0.0275776   92  ILE   A HG21 
1183 H HG22 . ILE   A 80  ? 0.500413 0.412783 0.424112 0.0956713   -0.00598313 0.0160998   92  ILE   A HG22 
1184 H HG23 . ILE   A 80  ? 0.491022 0.415137 0.396206 0.0905544   2.218e-05   0.0122198   92  ILE   A HG23 
1185 H HD11 . ILE   A 80  ? 0.479869 0.373767 0.405055 0.0557457   0.0319536   0.0159927   92  ILE   A HD11 
1186 H HD12 . ILE   A 80  ? 0.497654 0.369555 0.438473 0.0564888   0.0331667   0.0178312   92  ILE   A HD12 
1187 H HD13 . ILE   A 80  ? 0.502716 0.388573 0.423908 0.0651323   0.0252563   0.0308034   92  ILE   A HD13 
1188 N N    . GLY   A 81  ? 0.375064 0.304288 0.318651 0.0853196   -0.00801479 -0.0162581  93  GLY   A N    
1189 C CA   . GLY   A 81  ? 0.403534 0.340548 0.337994 0.0943676   -0.0201313  -0.0255615  93  GLY   A CA   
1190 C C    . GLY   A 81  ? 0.389178 0.326028 0.349099 0.0960881   -0.0344748  -0.0381721  93  GLY   A C    
1191 O O    . GLY   A 81  ? 0.38909  0.331283 0.345031 0.106683    -0.0501325  -0.0476584  93  GLY   A O    
1192 H H    . GLY   A 81  ? 0.376175 0.303429 0.320965 0.0772873   0.00052091  -0.0144748  93  GLY   A H    
1193 H HA2  . GLY   A 81  ? 0.408786 0.350753 0.326333 0.102248    -0.0239057  -0.0230602  93  GLY   A HA2  
1194 H HA3  . GLY   A 81  ? 0.391181 0.329948 0.319668 0.0918213   -0.0156951  -0.0263306  93  GLY   A HA3  
1195 N N    . VAL   A 82  ? 0.396269 0.32908  0.382751 0.0842382   -0.0294995  -0.0378612  94  VAL   A N    
1196 C CA   . VAL   A 82  ? 0.385514 0.319025 0.40332  0.082014    -0.0424137  -0.0466189  94  VAL   A CA   
1197 C C    . VAL   A 82  ? 0.436428 0.377289 0.471721 0.0872255   -0.0514893  -0.0492451  94  VAL   A C    
1198 O O    . VAL   A 82  ? 0.44528  0.389987 0.499309 0.0906345   -0.06968    -0.0601736  94  VAL   A O    
1199 C CB   . VAL   A 82  ? 0.417039 0.348584 0.457555 0.0665152   -0.0329221  -0.0397847  94  VAL   A CB   
1200 C CG1  . VAL   A 82  ? 0.487661 0.420582 0.567681 0.0604124   -0.0455525  -0.0446179  94  VAL   A CG1  
1201 C CG2  . VAL   A 82  ? 0.401383 0.326508 0.426652 0.064397    -0.0295618  -0.036767   94  VAL   A CG2  
1202 H H    . VAL   A 82  ? 0.380804 0.311807 0.365872 0.0768765   -0.0182515  -0.0314838  94  VAL   A H    
1203 H HA   . VAL   A 82  ? 0.412485 0.344333 0.425978 0.0876455   -0.0530063  -0.0553251  94  VAL   A HA   
1204 H HB   . VAL   A 82  ? 0.409539 0.344745 0.450647 0.0616286   -0.0210371  -0.0333919  94  VAL   A HB   
1205 H HG11 . VAL   A 82  ? 0.476669 0.405299 0.557181 0.0671325   -0.0599407  -0.0547703  94  VAL   A HG11 
1206 H HG12 . VAL   A 82  ? 0.463662 0.40496  0.559227 0.0593518   -0.0445321  -0.0441529  94  VAL   A HG12 
1207 H HG13 . VAL   A 82  ? 0.462751 0.393472 0.553419 0.0506966   -0.0406906  -0.0378188  94  VAL   A HG13 
1208 H HG21 . VAL   A 82  ? 0.403485 0.327324 0.442958 0.0549298   -0.0264019  -0.0307561  94  VAL   A HG21 
1209 H HG22 . VAL   A 82  ? 0.402142 0.328869 0.407515 0.0650186   -0.0202414  -0.0320507  94  VAL   A HG22 
1210 H HG23 . VAL   A 82  ? 0.414651 0.336383 0.437029 0.0720346   -0.040353   -0.0454107  94  VAL   A HG23 
1211 N N    . ALA   A 83  ? 0.4025   0.344601 0.432956 0.0891557   -0.041384   -0.0404248  95  ALA   A N    
1212 C CA   . ALA   A 83  ? 0.392895 0.342177 0.439761 0.0978026   -0.0514418  -0.0409459  95  ALA   A CA   
1213 C C    . ALA   A 83  ? 0.486046 0.439947 0.514142 0.111524    -0.0725905  -0.046171   95  ALA   A C    
1214 O O    . ALA   A 83  ? 0.495866 0.459327 0.545151 0.117546    -0.0875022  -0.0496904  95  ALA   A O    
1215 C CB   . ALA   A 83  ? 0.43071  0.374996 0.47447  0.100584    -0.0392088  -0.0308488  95  ALA   A CB   
1216 H H    . ALA   A 83  ? 0.400402 0.338235 0.41934  0.0852904   -0.0290819  -0.0342993  95  ALA   A H    
1217 H HA   . ALA   A 83  ? 0.410146 0.366484 0.486701 0.0932953   -0.0541971  -0.045015   95  ALA   A HA   
1218 H HB1  . ALA   A 83  ? 0.409484 0.353196 0.464475 0.0928839   -0.0262647  -0.0305622  95  ALA   A HB1  
1219 H HB2  . ALA   A 83  ? 0.425629 0.362894 0.443392 0.103016    -0.0363977  -0.0248539  95  ALA   A HB2  
1220 H HB3  . ALA   A 83  ? 0.426841 0.375973 0.484843 0.107793    -0.047536   -0.0306705  95  ALA   A HB3  
1221 N N    . THR   A 84  ? 0.442609 0.394142 0.43238  0.116695    -0.0732738  -0.0468968  96  THR   A N    
1222 C CA   . THR   A 84  ? 0.466084 0.427398 0.429383 0.130784    -0.0913338  -0.0525585  96  THR   A CA   
1223 C C    . THR   A 84  ? 0.47627  0.441695 0.446876 0.133605    -0.109891   -0.0756179  96  THR   A C    
1224 O O    . THR   A 84  ? 0.511253 0.487557 0.460662 0.145695    -0.127465   -0.0858032  96  THR   A O    
1225 C CB   . THR   A 84  ? 0.508313 0.472279 0.425947 0.136231    -0.0815346  -0.0429727  96  THR   A CB   
1226 O OG1  . THR   A 84  ? 0.475233 0.4379   0.383972 0.132921    -0.0735051  -0.0527364  96  THR   A OG1  
1227 C CG2  . THR   A 84  ? 0.502531 0.458147 0.41468  0.131635    -0.0651525  -0.020192   96  THR   A CG2  
1228 H H    . THR   A 84  ? 0.446229 0.392769 0.425589 0.111737    -0.0619563  -0.0439156  96  THR   A H    
1229 H HA   . THR   A 84  ? 0.480305 0.446025 0.450471 0.135746    -0.0992512  -0.0479085  96  THR   A HA   
1230 H HB   . THR   A 84  ? 0.518851 0.492884 0.417275 0.145993    -0.0931305  -0.0451804  96  THR   A HB   
1232 H HG21 . THR   A 84  ? 0.514504 0.474439 0.400098 0.134289    -0.0603938  -0.012181   96  THR   A HG21 
1233 H HG22 . THR   A 84  ? 0.484395 0.431772 0.41065  0.1224      -0.0535371  -0.0195122  96  THR   A HG22 
1234 H HG23 . THR   A 84  ? 0.509412 0.464156 0.431907 0.135282    -0.0716009  -0.0143816  96  THR   A HG23 
1235 N N    . MET   A 85  ? 0.415627 0.372682 0.418153 0.122554    -0.108524   -0.0836073  97  MET   A N    
1236 C CA   . MET   A 85  ? 0.469586 0.422369 0.481236 0.123843    -0.124498   -0.105069   97  MET   A CA   
1237 C C    . MET   A 85  ? 0.472641 0.428923 0.526877 0.119542    -0.146167   -0.117048   97  MET   A C    
1238 O O    . MET   A 85  ? 0.463921 0.425082 0.553321 0.109835    -0.14151    -0.106179   97  MET   A O    
1239 C CB   . MET   A 85  ? 0.456515 0.39471  0.479969 0.113384    -0.11147    -0.102679   97  MET   A CB   
1240 C CG   . MET   A 85  ? 0.461391 0.399737 0.447557 0.118012    -0.0937718  -0.094868   97  MET   A CG   
1241 S SD   . MET   A 85  ? 0.447361 0.371014 0.451341 0.107146    -0.0832971  -0.0904675  97  MET   A SD   
1242 C CE   . MET   A 85  ? 0.468548 0.379349 0.494014 0.11422     -0.107375   -0.116979   97  MET   A CE   
1243 H H    . MET   A 85  ? 0.418959 0.372211 0.439406 0.113643    -0.097438   -0.0751135  97  MET   A H    
1244 H HA   . MET   A 85  ? 0.479917 0.437983 0.46318  0.13483     -0.131102   -0.113938   97  MET   A HA   
1245 H HB2  . MET   A 85  ? 0.442046 0.378047 0.487862 0.102405    -0.102955   -0.0919152  97  MET   A HB2  
1246 H HB3  . MET   A 85  ? 0.46921  0.40116  0.505932 0.114041    -0.124077   -0.116774   97  MET   A HB3  
1247 H HG2  . MET   A 85  ? 0.47686  0.421215 0.440652 0.129213    -0.10011    -0.105258   97  MET   A HG2  
1248 H HG3  . MET   A 85  ? 0.450151 0.392315 0.425678 0.115963    -0.0822575  -0.0811077  97  MET   A HG3  
1249 H HE1  . MET   A 85  ? 0.466154 0.366951 0.504183 0.109621    -0.104315   -0.113307   97  MET   A HE1  
1250 H HE2  . MET   A 85  ? 0.473771 0.381765 0.52206  0.109769    -0.118973   -0.121911   97  MET   A HE2  
1251 H HE3  . MET   A 85  ? 0.485602 0.402594 0.488976 0.127213    -0.112583   -0.130472   97  MET   A HE3  
1252 N N    . LYS   A 86  ? 0.52394  0.480541 0.575496 0.127576    -0.170409   -0.141893   98  LYS   A N    
1253 C CA   . LYS   A 86  ? 0.569808 0.527637 0.665031 0.121956    -0.195646   -0.158523   98  LYS   A CA   
1254 C C    . LYS   A 86  ? 0.505091 0.442514 0.641042 0.107634    -0.197685   -0.164846   98  LYS   A C    
1255 O O    . LYS   A 86  ? 0.542929 0.464663 0.664486 0.108318    -0.186495   -0.164463   98  LYS   A O    
1256 C CB   . LYS   A 86  ? 0.626591 0.595623 0.690405 0.13925     -0.221609   -0.183364   98  LYS   A CB   
1257 C CG   . LYS   A 86  ? 0.691962 0.68261  0.72006  0.151551    -0.222006   -0.169744   98  LYS   A CG   
1258 C CD   . LYS   A 86  ? 0.81477  0.822231 0.804423 0.168801    -0.248219   -0.192074   98  LYS   A CD   
1259 C CE   . LYS   A 86  ? 0.834541 0.861301 0.786376 0.179793    -0.245633   -0.169829   98  LYS   A CE   
1260 N NZ   . LYS   A 86  ? 1.02203  1.06938  0.939424 0.19488     -0.274343   -0.191234   98  LYS   A NZ   
1261 H H    . LYS   A 86  ? 0.53962  0.496655 0.560885 0.136993    -0.171176   -0.149934   98  LYS   A H    
1262 H HA   . LYS   A 86  ? 0.542122 0.509527 0.65965  0.116851    -0.194742   -0.147992   98  LYS   A HA   
1263 H HB2  . LYS   A 86  ? 0.646452 0.609428 0.68482  0.146471    -0.219849   -0.194452   98  LYS   A HB2  
1264 H HB3  . LYS   A 86  ? 0.64696  0.616291 0.739614 0.135657    -0.241571   -0.19813    98  LYS   A HB3  
1265 H HG2  . LYS   A 86  ? 0.682426 0.679159 0.739087 0.146039    -0.224173   -0.159776   98  LYS   A HG2  
1266 H HG3  . LYS   A 86  ? 0.683062 0.671933 0.685489 0.153622    -0.202589   -0.15449    98  LYS   A HG3  
1267 H HD2  . LYS   A 86  ? 0.813007 0.816611 0.776707 0.175159    -0.245818   -0.205348   98  LYS   A HD2  
1268 H HD3  . LYS   A 86  ? 0.81235  0.822908 0.828642 0.166465    -0.26974    -0.207528   98  LYS   A HD3  
1269 H HE2  . LYS   A 86  ? 0.847555 0.876722 0.82688  0.174923    -0.245897   -0.155899   98  LYS   A HE2  
1270 H HE3  . LYS   A 86  ? 0.856064 0.880456 0.779365 0.182155    -0.226344   -0.15624    98  LYS   A HE3  
1271 H HZ1  . LYS   A 86  ? 0.979103 1.03035  0.924691 0.192255    -0.293733   -0.201989   98  LYS   A HZ1  
1272 H HZ2  . LYS   A 86  ? 0.988398 1.03401  0.885324 0.199693    -0.275199   -0.209047   98  LYS   A HZ2  
1273 H HZ3  . LYS   A 86  ? 0.985749 1.04531  0.873891 0.202424    -0.272827   -0.176233   98  LYS   A HZ3  
1274 N N    . LYS   A 87  ? 0.516159 0.455137 0.707924 0.0934252   -0.211446   -0.166866   99  LYS   A N    
1275 C CA   . LYS   A 87  ? 0.526942 0.444665 0.762745 0.0780864   -0.217767   -0.17061    99  LYS   A CA   
1276 C C    . LYS   A 87  ? 0.585962 0.483224 0.804176 0.0906146   -0.237132   -0.2008     99  LYS   A C    
1277 O O    . LYS   A 87  ? 0.622145 0.527667 0.821832 0.104374    -0.259297   -0.227072   99  LYS   A O    
1278 C CB   . LYS   A 87  ? 0.55663  0.482078 0.858438 0.0608676   -0.235479   -0.172154   99  LYS   A CB   
1279 H H    . LYS   A 87  ? 0.51339  0.467317 0.718381 0.0929356   -0.217252   -0.164493   99  LYS   A H    
1280 H HA   . LYS   A 87  ? 0.517233 0.428846 0.753424 0.0706406   -0.198253   -0.152567   99  LYS   A HA   
1283 N N    . GLY   A 88  ? 0.58759  0.459992 0.811606 0.0872125   -0.229402   -0.197794   100 GLY   A N    
1284 C CA   . GLY   A 88  ? 0.649633 0.501146 0.8615   0.101882    -0.24543    -0.22818    100 GLY   A CA   
1285 C C    . GLY   A 88  ? 0.589941 0.451179 0.738873 0.123833    -0.230049   -0.234009   100 GLY   A C    
1286 O O    . GLY   A 88  ? 0.628513 0.475461 0.768512 0.137336    -0.236657   -0.256489   100 GLY   A O    
1287 H H    . GLY   A 88  ? 0.574498 0.443708 0.811027 0.0762758   -0.213914   -0.176496   100 GLY   A H    
1288 H HA2  . GLY   A 88  ? 0.631485 0.462288 0.87193  0.0932931   -0.245854   -0.222934   100 GLY   A HA2  
1289 H HA3  . GLY   A 88  ? 0.652969 0.504809 0.873827 0.105793    -0.267664   -0.251556   100 GLY   A HA3  
1290 N N    . GLU   A 89  ? 0.573432 0.45882  0.684088 0.127025    -0.209313   -0.213427   101 GLU   A N    
1291 C CA   . GLU   A 89  ? 0.596255 0.495832 0.650595 0.144504    -0.193494   -0.214091   101 GLU   A CA   
1292 C C    . GLU   A 89  ? 0.545385 0.432086 0.600345 0.14294     -0.174212   -0.201287   101 GLU   A C    
1293 O O    . GLU   A 89  ? 0.521286 0.397465 0.603008 0.126107    -0.162525   -0.176564   101 GLU   A O    
1294 C CB   . GLU   A 89  ? 0.617109 0.540503 0.639992 0.144553    -0.177719   -0.190602   101 GLU   A CB   
1295 C CG   . GLU   A 89  ? 0.589351 0.531655 0.554829 0.16097     -0.163979   -0.189406   101 GLU   A CG   
1296 C CD   . GLU   A 89  ? 0.610254 0.569656 0.551527 0.159375    -0.15135    -0.163389   101 GLU   A CD   
1297 O OE1  . GLU   A 89  ? 0.549056 0.51646  0.497694 0.159308    -0.166266   -0.163276   101 GLU   A OE1  
1298 O OE2  . GLU   A 89  ? 0.598045 0.562626 0.516125 0.158635    -0.128657   -0.143627   101 GLU   A OE2  
1299 H H    . GLU   A 89  ? 0.560248 0.45382  0.682967 0.117623    -0.204724   -0.198007   101 GLU   A H    
1300 H HA   . GLU   A 89  ? 0.619516 0.522931 0.656695 0.158008    -0.206626   -0.238619   101 GLU   A HA   
1301 H HB2  . GLU   A 89  ? 0.606816 0.537948 0.63595  0.144607    -0.191189   -0.195753   101 GLU   A HB2  
1302 H HB3  . GLU   A 89  ? 0.573403 0.493166 0.610382 0.1329      -0.163395   -0.16945    101 GLU   A HB3  
1303 H HG2  . GLU   A 89  ? 0.595674 0.533057 0.55779  0.160779    -0.150669   -0.184119   101 GLU   A HG2  
1304 H HG3  . GLU   A 89  ? 0.633011 0.582467 0.580936 0.173369    -0.176918   -0.211062   101 GLU   A HG3  
1305 N N    . ILE   A 90  ? 0.573366 0.466253 0.596772 0.161477    -0.170348   -0.217673   102 ILE   A N    
1306 C CA   . ILE   A 90  ? 0.539875 0.431553 0.556593 0.162887    -0.149839   -0.202776   102 ILE   A CA   
1307 C C    . ILE   A 90  ? 0.522336 0.444542 0.488446 0.172507    -0.13034    -0.193624   102 ILE   A C    
1308 O O    . ILE   A 90  ? 0.558182 0.499451 0.491232 0.188677    -0.135858   -0.213153   102 ILE   A O    
1309 C CB   . ILE   A 90  ? 0.572636 0.447161 0.607141 0.176021    -0.159573   -0.226357   102 ILE   A CB   
1310 C CG1  . ILE   A 90  ? 0.673624 0.513315 0.762658 0.165517    -0.182998   -0.235512   102 ILE   A CG1  
1311 C CG2  . ILE   A 90  ? 0.560026 0.437039 0.593371 0.176058    -0.139457   -0.205982   102 ILE   A CG2  
1312 C CD1  . ILE   A 90  ? 0.665583 0.479704 0.781427 0.179344    -0.198624   -0.262071   102 ILE   A CD1  
1313 H H    . ILE   A 90  ? 0.591463 0.492208 0.597494 0.173951    -0.180833   -0.239198   102 ILE   A H    
1314 H HA   . ILE   A 90  ? 0.519996 0.403994 0.554865 0.1484      -0.141884   -0.181046   102 ILE   A HA   
1315 H HB   . ILE   A 90  ? 0.610257 0.496046 0.623038 0.192104    -0.164875   -0.249835   102 ILE   A HB   
1316 H HG12 . ILE   A 90  ? 0.620262 0.452211 0.728969 0.149356    -0.176042   -0.210343   102 ILE   A HG12 
1317 H HG13 . ILE   A 90  ? 0.653172 0.494276 0.744918 0.163883    -0.196175   -0.247549   102 ILE   A HG13 
1318 H HG21 . ILE   A 90  ? 0.576589 0.443485 0.623481 0.186499    -0.146393   -0.221263   102 ILE   A HG21 
1319 H HG22 . ILE   A 90  ? 0.53795  0.405437 0.589183 0.160445    -0.134536   -0.183342   102 ILE   A HG22 
1320 H HG23 . ILE   A 90  ? 0.549583 0.449104 0.552031 0.181294    -0.125197   -0.200238   102 ILE   A HG23 
1321 H HD11 . ILE   A 90  ? 0.701807 0.525196 0.797519 0.196575    -0.205101   -0.290304   102 ILE   A HD11 
1322 H HD12 . ILE   A 90  ? 0.689027 0.479419 0.842022 0.169568    -0.214226   -0.26435    102 ILE   A HD12 
1323 H HD13 . ILE   A 90  ? 0.666901 0.479558 0.784692 0.181072    -0.187273   -0.248896   102 ILE   A HD13 
1324 N N    . ALA   A 91  ? 0.484656 0.412462 0.444744 0.162291    -0.108142   -0.164333   103 ALA   A N    
1325 C CA   . ALA   A 91  ? 0.484035 0.437823 0.404219 0.166806    -0.0889742  -0.150501   103 ALA   A CA   
1326 C C    . ALA   A 91  ? 0.50125  0.459924 0.423204 0.164285    -0.0707265  -0.136234   103 ALA   A C    
1327 O O    . ALA   A 91  ? 0.494101 0.435271 0.445303 0.153277    -0.0700552  -0.125846   103 ALA   A O    
1328 C CB   . ALA   A 91  ? 0.479386 0.436083 0.392625 0.154107    -0.0826553  -0.127358   103 ALA   A CB   
1329 H H    . ALA   A 91  ? 0.473068 0.38809  0.45572  0.151163    -0.105364   -0.152045   103 ALA   A H    
1330 H HA   . ALA   A 91  ? 0.513845 0.482009 0.411382 0.180548    -0.0928086  -0.166062   103 ALA   A HA   
1331 H HB1  . ALA   A 91  ? 0.48709  0.443654 0.400794 0.156833    -0.0953903  -0.136066   103 ALA   A HB1  
1332 H HB2  . ALA   A 91  ? 0.455999 0.401196 0.389858 0.141583    -0.0780844  -0.114686   103 ALA   A HB2  
1333 H HB3  . ALA   A 91  ? 0.47432  0.44532  0.363535 0.156077    -0.070929   -0.116631   103 ALA   A HB3  
1334 N N    . HIS   A 92  ? 0.45267  0.438758 0.343298 0.173122    -0.0560142  -0.132709   104 HIS   A N    
1335 C CA   . HIS   A 92  ? 0.448718 0.446921 0.339919 0.167612    -0.037397   -0.11445    104 HIS   A CA   
1336 C C    . HIS   A 92  ? 0.456983 0.462769 0.33161  0.152408    -0.0223213  -0.0863227  104 HIS   A C    
1337 O O    . HIS   A 92  ? 0.472896 0.489624 0.32178  0.155366    -0.0212017  -0.0823141  104 HIS   A O    
1338 C CB   . HIS   A 92  ? 0.456204 0.48406  0.331064 0.187087    -0.030208   -0.129904   104 HIS   A CB   
1339 C CG   . HIS   A 92  ? 0.460577 0.479243 0.359707 0.203269    -0.0424604  -0.157399   104 HIS   A CG   
1340 N ND1  . HIS   A 92  ? 0.483816 0.528091 0.375584 0.225045    -0.0378929  -0.179054   104 HIS   A ND1  
1341 C CD2  . HIS   A 92  ? 0.444565 0.429515 0.379766 0.199419    -0.0586414  -0.163691   104 HIS   A CD2  
1342 C CE1  . HIS   A 92  ? 0.521966 0.544858 0.445796 0.236557    -0.0529754  -0.201598   104 HIS   A CE1  
1343 N NE2  . HIS   A 92  ? 0.442077 0.426521 0.393416 0.219078    -0.0662939  -0.189309   104 HIS   A NE2  
1344 H H    . HIS   A 92  ? 0.485275 0.485219 0.353787 0.182319    -0.0578765  -0.14125    104 HIS   A H    
1345 H HA   . HIS   A 92  ? 0.436914 0.420203 0.351899 0.161285    -0.0400003  -0.110832   104 HIS   A HA   
1346 H HB2  . HIS   A 92  ? 0.473585 0.515989 0.323619 0.194613    -0.030168   -0.13624    104 HIS   A HB2  
1347 H HB3  . HIS   A 92  ? 0.444846 0.487179 0.317202 0.18223     -0.01654    -0.115012   104 HIS   A HB3  
1349 H HD2  . HIS   A 92  ? 0.429358 0.395012 0.377941 0.185708    -0.0635637  -0.152107   104 HIS   A HD2  
1350 H HE1  . HIS   A 92  ? 0.51954  0.552562 0.448065 0.253625    -0.0537561  -0.221568   104 HIS   A HE1  
1352 N N    . LEU   A 93  ? 0.422218 0.420793 0.311673 0.136913    -0.0132558  -0.0679155  105 LEU   A N    
1353 C CA   . LEU   A 93  ? 0.423645 0.42599  0.302823 0.122343    0.00027718  -0.0450087  105 LEU   A CA   
1354 C C    . LEU   A 93  ? 0.427754 0.448871 0.30913  0.118047    0.0133987   -0.0349276  105 LEU   A C    
1355 O O    . LEU   A 93  ? 0.423544 0.441825 0.324677 0.115725    0.0114103   -0.0360424  105 LEU   A O    
1356 C CB   . LEU   A 93  ? 0.385036 0.363761 0.280888 0.106297    -0.00160796 -0.0356383  105 LEU   A CB   
1357 C CG   . LEU   A 93  ? 0.395518 0.359258 0.298521 0.107156    -0.0132458  -0.0421329  105 LEU   A CG   
1358 C CD1  . LEU   A 93  ? 0.39858  0.348454 0.318367 0.0915653   -0.0088519  -0.0317662  105 LEU   A CD1  
1359 C CD2  . LEU   A 93  ? 0.423915 0.396474 0.303974 0.11526     -0.0150037  -0.0403704  105 LEU   A CD2  
1360 H H    . LEU   A 93  ? 0.421877 0.411965 0.329319 0.135211    -0.0166284  -0.0700643  105 LEU   A H    
1361 H HA   . LEU   A 93  ? 0.429844 0.440347 0.291039 0.12617     0.00197231  -0.0425078  105 LEU   A HA   
1362 H HB2  . LEU   A 93  ? 0.383656 0.356697 0.294399 0.102117    -0.00302595 -0.0359186  105 LEU   A HB2  
1363 H HB3  . LEU   A 93  ? 0.386125 0.366663 0.276252 0.0977144   0.00730289  -0.0232993  105 LEU   A HB3  
1364 H HG   . LEU   A 93  ? 0.405843 0.365057 0.319121 0.113107    -0.0234162  -0.0546289  105 LEU   A HG   
1365 H HD11 . LEU   A 93  ? 0.38542  0.331931 0.31652  0.086338    -0.00825891 -0.0307994  105 LEU   A HD11 
1366 H HD12 . LEU   A 93  ? 0.393904 0.337501 0.322732 0.0920798   -0.015593   -0.0356714  105 LEU   A HD12 
1367 H HD13 . LEU   A 93  ? 0.389249 0.340991 0.300638 0.0861747   -5.168e-05  -0.0221723  105 LEU   A HD13 
1368 H HD21 . LEU   A 93  ? 0.43532  0.419184 0.302828 0.126345    -0.0188733  -0.0498709  105 LEU   A HD21 
1369 H HD22 . LEU   A 93  ? 0.418736 0.395138 0.28952  0.110068    -0.00528923 -0.0271745  105 LEU   A HD22 
1370 H HD23 . LEU   A 93  ? 0.420881 0.384972 0.309048 0.114613    -0.0225379  -0.042517   105 LEU   A HD23 
1371 N N    . LEU   A 94  ? 0.388857 0.428462 0.253127 0.114097    0.0259756   -0.0209352  106 LEU   A N    
1372 C CA   . LEU   A 94  ? 0.385233 0.442046 0.255551 0.103397    0.0385768   -0.00647868 106 LEU   A CA   
1373 C C    . LEU   A 94  ? 0.392005 0.434034 0.260914 0.0843899   0.0440257   0.0118202   106 LEU   A C    
1374 O O    . LEU   A 94  ? 0.41717  0.451902 0.271939 0.083726    0.0447451   0.0198591   106 LEU   A O    
1375 C CB   . LEU   A 94  ? 0.396548 0.49151  0.253979 0.113845    0.0497387   -0.00529523 106 LEU   A CB   
1376 C CG   . LEU   A 94  ? 0.44201  0.564126 0.314332 0.104225    0.0622399   0.00756865  106 LEU   A CG   
1377 C CD1  . LEU   A 94  ? 0.437081 0.563104 0.33606  0.108221    0.056498    -0.00230527 106 LEU   A CD1  
1378 C CD2  . LEU   A 94  ? 0.472591 0.636547 0.32881  0.113303    0.0764868   0.0124464   106 LEU   A CD2  
1379 H H    . LEU   A 94  ? 0.411447 0.453603 0.260567 0.117684    0.0258203   -0.0193226  106 LEU   A H    
1380 H HA   . LEU   A 94  ? 0.376521 0.430751 0.262624 0.101691    0.0356609   -0.00984776 106 LEU   A HA   
1381 H HB2  . LEU   A 94  ? 0.417265 0.51943  0.273827 0.128714    0.0452202   -0.021357   106 LEU   A HB2  
1382 H HB3  . LEU   A 94  ? 0.421502 0.519759 0.261666 0.113314    0.0531372   0.00255559  106 LEU   A HB3  
1383 H HG   . LEU   A 94  ? 0.427839 0.539513 0.303033 0.088519    0.0647963   0.0211919   106 LEU   A HG   
1384 H HD11 . LEU   A 94  ? 0.423014 0.525105 0.329292 0.100371    0.0488167   -0.00155987 106 LEU   A HD11 
1385 H HD12 . LEU   A 94  ? 0.431542 0.579099 0.340589 0.10271     0.0637729   0.00592191  106 LEU   A HD12 
1386 H HD13 . LEU   A 94  ? 0.442806 0.574637 0.342559 0.124281    0.0526411   -0.0171877  106 LEU   A HD13 
1387 H HD21 . LEU   A 94  ? 0.479388 0.640071 0.320146 0.107498    0.0798571   0.0247357   106 LEU   A HD21 
1388 H HD22 . LEU   A 94  ? 0.480436 0.653952 0.329379 0.130132    0.0738608   -0.00373698 106 LEU   A HD22 
1389 H HD23 . LEU   A 94  ? 0.46602  0.652031 0.335537 0.108115    0.0846861   0.0196881   106 LEU   A HD23 
1390 N N    . ILE   A 95  ? 0.358977 0.396153 0.243437 0.0698642   0.0461242   0.0174547   107 ILE   A N    
1391 C CA   . ILE   A 95  ? 0.359316 0.374808 0.247541 0.0526773   0.047466    0.0255538   107 ILE   A CA   
1392 C C    . ILE   A 95  ? 0.373236 0.40043  0.269894 0.036237    0.0548371   0.036714    107 ILE   A C    
1393 O O    . ILE   A 95  ? 0.362662 0.404353 0.271005 0.0318461   0.0537101   0.0353719   107 ILE   A O    
1394 C CB   . ILE   A 95  ? 0.350867 0.345392 0.24833  0.0494125   0.0396541   0.0165924   107 ILE   A CB   
1395 C CG1  . ILE   A 95  ? 0.350907 0.334551 0.247607 0.0625182   0.030886    0.00609218  107 ILE   A CG1  
1396 C CG2  . ILE   A 95  ? 0.37235  0.349779 0.27136  0.0342908   0.0433096   0.0206886   107 ILE   A CG2  
1397 C CD1  . ILE   A 95  ? 0.382823 0.354485 0.294027 0.0594254   0.0238416   0.00037375  107 ILE   A CD1  
1398 H H    . ILE   A 95  ? 0.360038 0.409198 0.253335 0.0714903   0.0461554   0.0148887   107 ILE   A H    
1399 H HA   . ILE   A 95  ? 0.370457 0.377474 0.250805 0.053536    0.048195    0.0295912   107 ILE   A HA   
1400 H HB   . ILE   A 95  ? 0.348539 0.350639 0.253185 0.0482947   0.0378175   0.0152114   107 ILE   A HB   
1401 H HG12 . ILE   A 95  ? 0.364741 0.339191 0.256958 0.0623457   0.0310337   0.00777059  107 ILE   A HG12 
1402 H HG13 . ILE   A 95  ? 0.365861 0.360597 0.258421 0.0733094   0.0289304   0.00155682  107 ILE   A HG13 
1403 H HG21 . ILE   A 95  ? 0.361749 0.328509 0.264308 0.0334266   0.0403326   0.0153723   107 ILE   A HG21 
1404 H HG22 . ILE   A 95  ? 0.373793 0.345023 0.268375 0.0347611   0.045579    0.0249307   107 ILE   A HG22 
1405 H HG23 . ILE   A 95  ? 0.364864 0.348815 0.266959 0.025007    0.0459669   0.0240357   107 ILE   A HG23 
1406 H HD11 . ILE   A 95  ? 0.367653 0.346995 0.28418  0.0599104   0.0223612   0.00074289  107 ILE   A HD11 
1407 H HD12 . ILE   A 95  ? 0.372667 0.337991 0.287293 0.0666793   0.0173598   -0.0063497  107 ILE   A HD12 
1408 H HD13 . ILE   A 95  ? 0.366657 0.330517 0.279562 0.0496319   0.0269297   0.00354318  107 ILE   A HD13 
1409 N N    . LYS   A 96  ? 0.393552 0.415338 0.287215 0.0262775   0.0610037   0.0497053   108 LYS   A N    
1410 C CA   . LYS   A 96  ? 0.362814 0.389509 0.269592 0.00707823  0.0653189   0.0586661   108 LYS   A CA   
1411 C C    . LYS   A 96  ? 0.374352 0.379112 0.287788 -0.00526264 0.0596048   0.0486766   108 LYS   A C    
1412 O O    . LYS   A 96  ? 0.363756 0.346354 0.272138 -0.00151065 0.0558519   0.0393277   108 LYS   A O    
1413 C CB   . LYS   A 96  ? 0.419087 0.439441 0.325277 -0.00173654 0.0716068   0.0768362   108 LYS   A CB   
1414 C CG   . LYS   A 96  ? 0.451135 0.503449 0.347711 0.00692408  0.0803332   0.0910426   108 LYS   A CG   
1415 C CD   . LYS   A 96  ? 0.524976 0.573258 0.421034 -0.0039057  0.0868294   0.116554    108 LYS   A CD   
1416 C CE   . LYS   A 96  ? 0.553971 0.641166 0.434707 0.00443042  0.0979314   0.13355     108 LYS   A CE   
1417 N NZ   . LYS   A 96  ? 0.675803 0.746869 0.55574  -0.00724434 0.100458    0.161378    108 LYS   A NZ   
1418 H H    . LYS   A 96  ? 0.392707 0.407209 0.277826 0.0310995   0.0611883   0.0533167   108 LYS   A H    
1419 H HA   . LYS   A 96  ? 0.375091 0.426044 0.288248 0.00751071  0.0675508   0.0600786   108 LYS   A HA   
1420 H HB2  . LYS   A 96  ? 0.420747 0.418085 0.321681 0.00098637  0.0685536   0.0757845   108 LYS   A HB2  
1421 H HB3  . LYS   A 96  ? 0.419942 0.43841  0.338387 -0.0163151  0.0726614   0.0811089   108 LYS   A HB3  
1422 H HG2  . LYS   A 96  ? 0.450351 0.528309 0.355002 0.00578186  0.0841236   0.0906262   108 LYS   A HG2  
1423 H HG3  . LYS   A 96  ? 0.4555   0.508875 0.338476 0.0217158   0.0778368   0.0841619   108 LYS   A HG3  
1424 H HD2  . LYS   A 96  ? 0.523847 0.545589 0.414466 -0.00164494 0.0817493   0.117075    108 LYS   A HD2  
1425 H HD3  . LYS   A 96  ? 0.519665 0.565499 0.432559 -0.0197563  0.088311    0.122447    108 LYS   A HD3  
1426 H HE2  . LYS   A 96  ? 0.567603 0.683393 0.45832  0.0003254   0.104937    0.135988    108 LYS   A HE2  
1427 H HE3  . LYS   A 96  ? 0.569826 0.662613 0.432989 0.0207039   0.0956724   0.124532    108 LYS   A HE3  
1428 H HZ1  . LYS   A 96  ? 0.646255 0.709164 0.545062 -0.0229766  0.101358    0.168221    108 LYS   A HZ1  
1429 H HZ2  . LYS   A 96  ? 0.646384 0.691909 0.519162 -0.00201679 0.093269    0.158976    108 LYS   A HZ2  
1430 H HZ3  . LYS   A 96  ? 0.659344 0.754817 0.528225 -0.00400058 0.107914    0.17497     108 LYS   A HZ3  
1431 N N    . PRO   A 97  ? 0.384058 0.399117 0.309613 -0.0213226  0.0589864   0.0498689   109 PRO   A N    
1432 C CA   . PRO   A 97  ? 0.424309 0.426252 0.350469 -0.032104   0.0530192   0.038062    109 PRO   A CA   
1433 C C    . PRO   A 97  ? 0.441147 0.408951 0.362569 -0.0358879  0.0531451   0.0289754   109 PRO   A C    
1434 O O    . PRO   A 97  ? 0.408116 0.367611 0.322471 -0.0358557  0.0505683   0.0161569   109 PRO   A O    
1435 C CB   . PRO   A 97  ? 0.437971 0.459043 0.37933  -0.0496831  0.0511648   0.0422315   109 PRO   A CB   
1436 C CG   . PRO   A 97  ? 0.426424 0.476208 0.379434 -0.0475212  0.0578791   0.0577736   109 PRO   A CG   
1437 C CD   . PRO   A 97  ? 0.441162 0.48789  0.380499 -0.0286687  0.0638167   0.0620928   109 PRO   A CD   
1438 H HA   . PRO   A 97  ? 0.40788  0.415979 0.330103 -0.0256512  0.049487    0.033268    109 PRO   A HA   
1439 H HB2  . PRO   A 97  ? 0.446923 0.451996 0.391856 -0.0610972  0.0505151   0.0394872   109 PRO   A HB2  
1440 H HB3  . PRO   A 97  ? 0.427883 0.460145 0.369224 -0.0512667  0.0457331   0.0372265   109 PRO   A HB3  
1441 H HG2  . PRO   A 97  ? 0.445078 0.493212 0.40823  -0.0600513  0.060182    0.0648736   109 PRO   A HG2  
1442 H HG3  . PRO   A 97  ? 0.42442  0.498431 0.384783 -0.0458512  0.0557178   0.0579066   109 PRO   A HG3  
1443 H HD2  . PRO   A 97  ? 0.43472  0.479764 0.374988 -0.0319267  0.069174    0.0726727   109 PRO   A HD2  
1444 H HD3  . PRO   A 97  ? 0.415117 0.483088 0.354717 -0.0181114  0.0647653   0.0617901   109 PRO   A HD3  
1445 N N    . GLU   A 98  ? 0.438676 0.388784 0.365091 -0.0376358  0.0566762   0.0372056   110 GLU   A N    
1446 C CA   . GLU   A 98  ? 0.467778 0.384374 0.396618 -0.0384949  0.05626     0.0293269   110 GLU   A CA   
1447 C C    . GLU   A 98  ? 0.426841 0.335836 0.346759 -0.0231467  0.0558818   0.018853    110 GLU   A C    
1448 O O    . GLU   A 98  ? 0.448487 0.337685 0.371977 -0.0237465  0.0562963   0.00595415  110 GLU   A O    
1449 C CB   . GLU   A 98  ? 0.458877 0.357487 0.397373 -0.0407067  0.0579713   0.0458096   110 GLU   A CB   
1450 C CG   . GLU   A 98  ? 0.56743  0.470692 0.522149 -0.0612427  0.0580312   0.0549053   110 GLU   A CG   
1451 C CD   . GLU   A 98  ? 0.625244 0.568995 0.582273 -0.0655245  0.0623251   0.0709033   110 GLU   A CD   
1452 O OE1  . GLU   A 98  ? 0.473932 0.442498 0.418548 -0.0507043  0.0669491   0.0793627   110 GLU   A OE1  
1453 O OE2  . GLU   A 98  ? 0.738337 0.690689 0.713153 -0.0846266  0.0604387   0.072523    110 GLU   A OE2  
1454 H H    . GLU   A 98  ? 0.449011 0.409737 0.37842  -0.0374976  0.0594812   0.0491362   110 GLU   A H    
1455 H HA   . GLU   A 98  ? 0.462559 0.37309  0.3952   -0.0488432  0.0543378   0.0191269   110 GLU   A HA   
1456 H HB2  . GLU   A 98  ? 0.480021 0.388832 0.411786 -0.0314308  0.0598051   0.0570497   110 GLU   A HB2  
1457 H HB3  . GLU   A 98  ? 0.495265 0.370328 0.437623 -0.0381099  0.0565462   0.0395758   110 GLU   A HB3  
1458 H HG2  . GLU   A 98  ? 0.576342 0.460406 0.540322 -0.0650451  0.0579851   0.0642618   110 GLU   A HG2  
1459 H HG3  . GLU   A 98  ? 0.560032 0.458116 0.518659 -0.0698748  0.0546433   0.0405872   110 GLU   A HG3  
1460 N N    . TYR   A 99  ? 0.394641 0.31925  0.306948 -0.00959554 0.055082    0.024222    111 TYR   A N    
1461 C CA   . TYR   A 99  ? 0.391677 0.310686 0.301468 0.00319703  0.0530411   0.0165156   111 TYR   A CA   
1462 C C    . TYR   A 99  ? 0.378328 0.3119   0.285022 0.00354278  0.0509456   0.00952259  111 TYR   A C    
1463 O O    . TYR   A 99  ? 0.409288 0.342289 0.317891 0.0125453   0.0483657   0.00571768  111 TYR   A O    
1464 C CB   . TYR   A 99  ? 0.417146 0.338569 0.322689 0.0176812   0.0502323   0.0249951   111 TYR   A CB   
1465 C CG   . TYR   A 99  ? 0.427058 0.331216 0.335682 0.017784    0.0507578   0.0358524   111 TYR   A CG   
1466 C CD1  . TYR   A 99  ? 0.425663 0.333886 0.333036 0.0102242   0.0540617   0.0528486   111 TYR   A CD1  
1467 C CD2  . TYR   A 99  ? 0.482053 0.367836 0.398107 0.0265334   0.0471293   0.0317784   111 TYR   A CD2  
1468 C CE1  . TYR   A 99  ? 0.472894 0.360879 0.385966 0.00910735  0.0531087   0.0669587   111 TYR   A CE1  
1469 C CE2  . TYR   A 99  ? 0.483662 0.350785 0.405543 0.0287628   0.0449473   0.0443062   111 TYR   A CE2  
1470 C CZ   . TYR   A 99  ? 0.492145 0.359012 0.410962 0.020039    0.0474897   0.0634685   111 TYR   A CZ   
1471 O OH   . TYR   A 99  ? 0.506557 0.351279 0.433826 0.0206974   0.0442401   0.0799795   111 TYR   A OH   
1472 H H    . TYR   A 99  ? 0.396891 0.336764 0.307516 -0.00849523 0.0555925   0.0320369   111 TYR   A H    
1473 H HA   . TYR   A 99  ? 0.404215 0.308086 0.318828 0.00200799  0.054154    0.0099928   111 TYR   A HA   
1474 H HB2  . TYR   A 99  ? 0.40514  0.342406 0.305508 0.0197862   0.0503259   0.0299565   111 TYR   A HB2  
1475 H HB3  . TYR   A 99  ? 0.402854 0.322362 0.309684 0.0251166   0.0472176   0.0187475   111 TYR   A HB3  
1476 H HD1  . TYR   A 99  ? 0.430659 0.354557 0.336871 0.00420082  0.0568966   0.0554715   111 TYR   A HD1  
1477 H HD2  . TYR   A 99  ? 0.454602 0.341295 0.374186 0.0309808   0.0457524   0.0217084   111 TYR   A HD2  
1478 H HE1  . TYR   A 99  ? 0.482878 0.37412  0.396756 0.00219253  0.0557624   0.0811821   111 TYR   A HE1  
1479 H HE2  . TYR   A 99  ? 0.491103 0.346698 0.421123 0.0359338   0.0415389   0.0413553   111 TYR   A HE2  
1481 N N    . ALA   A 100 ? 0.376766 0.323776 0.28155  -0.00691571 0.050422    0.0101128   112 ALA   A N    
1482 C CA   . ALA   A 100 ? 0.384212 0.345228 0.286512 -0.00743658 0.0465009   0.00903567  112 ALA   A CA   
1483 C C    . ALA   A 100 ? 0.393924 0.357573 0.289856 -0.0223524  0.0470072   0.00234026  112 ALA   A C    
1484 O O    . ALA   A 100 ? 0.416828 0.369654 0.308514 -0.025235   0.0514773   -0.00809855 112 ALA   A O    
1485 C CB   . ALA   A 100 ? 0.361921 0.341944 0.268118 -0.00111489 0.0421386   0.0167996   112 ALA   A CB   
1486 H H    . ALA   A 100 ? 0.387764 0.335407 0.294364 -0.0144732  0.0515044   0.0124895   112 ALA   A H    
1487 H HA   . ALA   A 100 ? 0.374481 0.330316 0.277637 -0.00170011 0.0460837   0.00652978  112 ALA   A HA   
1488 H HB1  . ALA   A 100 ? 0.36224  0.340431 0.269767 0.00954377  0.0411386   0.0170162   112 ALA   A HB1  
1489 H HB2  . ALA   A 100 ? 0.368996 0.356683 0.277312 -0.00532067 0.0438374   0.0205185   112 ALA   A HB2  
1490 H HB3  . ALA   A 100 ? 0.363696 0.351554 0.270398 -0.00305532 0.0382188   0.0177573   112 ALA   A HB3  
1491 N N    . TYR   A 101 ? 0.363378 0.344267 0.258974 -0.0313394  0.0422471   0.00610876  113 TYR   A N    
1492 C CA   . TYR   A 101 ? 0.366522 0.354629 0.252152 -0.0450197  0.0392832   -0.00132919 113 TYR   A CA   
1493 C C    . TYR   A 101 ? 0.414164 0.400936 0.305211 -0.0591168  0.0374548   -0.00740917 113 TYR   A C    
1494 O O    . TYR   A 101 ? 0.431893 0.425423 0.314884 -0.071748   0.0324737   -0.0172789  113 TYR   A O    
1495 C CB   . TYR   A 101 ? 0.366231 0.377211 0.247886 -0.0456102  0.0306789   0.00804049  113 TYR   A CB   
1496 C CG   . TYR   A 101 ? 0.419813 0.427784 0.299588 -0.0357361  0.0310498   0.0146696   113 TYR   A CG   
1497 C CD1  . TYR   A 101 ? 0.385052 0.390113 0.251046 -0.0403721  0.0361781   0.00977878  113 TYR   A CD1  
1498 C CD2  . TYR   A 101 ? 0.384128 0.390765 0.278286 -0.0216197  0.0280295   0.023042    113 TYR   A CD2  
1499 C CE1  . TYR   A 101 ? 0.394575 0.397775 0.264451 -0.034319   0.0370958   0.0185904   113 TYR   A CE1  
1500 C CE2  . TYR   A 101 ? 0.367493 0.367357 0.265113 -0.0150315  0.0263551   0.0280812   113 TYR   A CE2  
1501 C CZ   . TYR   A 101 ? 0.375885 0.373791 0.263304 -0.0226154  0.0310516   0.0277032   113 TYR   A CZ   
1502 O OH   . TYR   A 101 ? 0.34711  0.339415 0.243429 -0.018869   0.0304558   0.0348363   113 TYR   A OH   
1503 H H    . TYR   A 101 ? 0.362969 0.353642 0.264823 -0.0284184  0.0404604   0.0128469   113 TYR   A H    
1504 H HA   . TYR   A 101 ? 0.382688 0.361954 0.261008 -0.0452203  0.0433073   -0.00927695 113 TYR   A HA   
1505 H HB2  . TYR   A 101 ? 0.37202  0.393664 0.263967 -0.043215   0.0269864   0.0149421   113 TYR   A HB2  
1506 H HB3  . TYR   A 101 ? 0.391551 0.40977  0.263472 -0.0552074  0.0276437   0.00336145  113 TYR   A HB3  
1507 H HD1  . TYR   A 101 ? 0.410571 0.417287 0.265703 -0.0482002  0.038743    0.0006779   113 TYR   A HD1  
1508 H HD2  . TYR   A 101 ? 0.379129 0.391559 0.281324 -0.0174194  0.0265004   0.0250452   113 TYR   A HD2  
1509 H HE1  . TYR   A 101 ? 0.398933 0.404642 0.261078 -0.0382095  0.0420212   0.0172331   113 TYR   A HE1  
1510 H HE2  . TYR   A 101 ? 0.364777 0.361914 0.272875 -0.00564234 0.0227201   0.0309243   113 TYR   A HE2  
1512 N N    . GLY   A 102 ? 0.406556 0.386651 0.312293 -0.0588101  0.0402388   -0.00054761 114 GLY   A N    
1513 C CA   . GLY   A 102 ? 0.466916 0.434719 0.382391 -0.073675   0.0393414   -0.00673221 114 GLY   A CA   
1514 C C    . GLY   A 102 ? 0.450622 0.442339 0.375336 -0.0891351  0.0308313   -0.00502973 114 GLY   A C    
1515 O O    . GLY   A 102 ? 0.439528 0.460256 0.36544  -0.0861376  0.0260582   0.00380452  114 GLY   A O    
1516 H H    . GLY   A 102 ? 0.405216 0.388637 0.315112 -0.0499916  0.0423266   0.00817828  114 GLY   A H    
1517 H HA2  . GLY   A 102 ? 0.452098 0.410365 0.376628 -0.0711706  0.0431486   0.00110603  114 GLY   A HA2  
1518 H HA3  . GLY   A 102 ? 0.464557 0.417223 0.373708 -0.0762154  0.0400227   -0.0201936  114 GLY   A HA3  
1519 N N    . SER   A 103 ? 0.462143 0.440593 0.395876 -0.105778   0.0267705   -0.0160884  115 SER   A N    
1520 C CA   . SER   A 103 ? 0.477339 0.478761 0.423866 -0.123646   0.0158875   -0.017394   115 SER   A CA   
1521 C C    . SER   A 103 ? 0.444404 0.466484 0.370094 -0.125924   0.00583611  -0.0288795  115 SER   A C    
1522 O O    . SER   A 103 ? 0.457624 0.510987 0.391591 -0.13368    -0.00485409 -0.0233265  115 SER   A O    
1523 C CB   . SER   A 103 ? 0.520966 0.500964 0.488115 -0.143536   0.0112337   -0.0269587  115 SER   A CB   
1524 O OG   . SER   A 103 ? 0.613755 0.55876  0.567618 -0.140742   0.0130679   -0.048993   115 SER   A OG   
1525 H H    . SER   A 103 ? 0.478755 0.43337  0.413177 -0.106047   0.0296539   -0.0236264  115 SER   A H    
1526 H HA   . SER   A 103 ? 0.4571   0.478844 0.415708 -0.121546   0.0169867   -0.00219106 115 SER   A HA   
1527 H HB2  . SER   A 103 ? 0.542859 0.538873 0.516289 -0.156059   0.00175012  -0.0323295  115 SER   A HB2  
1528 H HB3  . SER   A 103 ? 0.531235 0.506629 0.515409 -0.144927   0.0161582   -0.0126176  115 SER   A HB3  
1530 N N    . ALA   A 104 ? 0.4875   0.496088 0.386929 -0.119833   0.00876839  -0.0438428  116 ALA   A N    
1531 C CA   . ALA   A 104 ? 0.49079  0.520547 0.364769 -0.123037   0.00036448  -0.0523512  116 ALA   A CA   
1532 C C    . ALA   A 104 ? 0.426994 0.482661 0.29593  -0.111459   -0.00206134 -0.0303675  116 ALA   A C    
1533 O O    . ALA   A 104 ? 0.449439 0.531688 0.307544 -0.116505   -0.0143654  -0.0270754  116 ALA   A O    
1534 C CB   . ALA   A 104 ? 0.538323 0.549653 0.387286 -0.119126   0.00840036  -0.0733615  116 ALA   A CB   
1535 H H    . ALA   A 104 ? 0.477722 0.465407 0.375152 -0.11343    0.0165227   -0.0478773  116 ALA   A H    
1536 H HA   . ALA   A 104 ? 0.504951 0.545579 0.382843 -0.135753   -0.00988349 -0.059292   116 ALA   A HA   
1537 H HB1  . ALA   A 104 ? 0.54755  0.540661 0.402618 -0.125109   0.00871498  -0.0890976  116 ALA   A HB1  
1538 H HB2  . ALA   A 104 ? 0.514193 0.516608 0.36273  -0.107591   0.0176488   -0.0663836  116 ALA   A HB2  
1539 H HB3  . ALA   A 104 ? 0.541984 0.570085 0.370465 -0.121954   0.00382025  -0.0782463  116 ALA   A HB3  
1540 N N    . GLY   A 105 ? 0.41174  0.458754 0.289291 -0.0963312  0.00726628  -0.0166139  117 GLY   A N    
1541 C CA   . GLY   A 105 ? 0.446062 0.509101 0.322175 -0.0837152  0.00453126  0.00084402  117 GLY   A CA   
1542 C C    . GLY   A 105 ? 0.458423 0.520549 0.308049 -0.0812679  0.0057726   -0.00020808 117 GLY   A C    
1543 O O    . GLY   A 105 ? 0.453808 0.502187 0.287341 -0.0849195  0.0137148   -0.0159321  117 GLY   A O    
1544 H H    . GLY   A 105 ? 0.41594  0.445544 0.301255 -0.0933003  0.0145647   -0.0181998  117 GLY   A H    
1545 H HA2  . GLY   A 105 ? 0.417416 0.472684 0.304109 -0.0736153  0.0105251   0.00740246  117 GLY   A HA2  
1546 H HA3  . GLY   A 105 ? 0.432611 0.516344 0.316676 -0.0866241  -0.00457324 0.00773961  117 GLY   A HA3  
1547 N N    . SER   A 106 ? 0.446336 0.525039 0.29497  -0.0751172  -0.00214043 0.0175718   118 SER   A N    
1548 C CA   . SER   A 106 ? 0.414447 0.498688 0.239698 -0.0755566  -0.00254313 0.0248099   118 SER   A CA   
1549 C C    . SER   A 106 ? 0.408779 0.518347 0.234333 -0.0760433  -0.0195966  0.0443752   118 SER   A C    
1550 O O    . SER   A 106 ? 0.412197 0.520311 0.247993 -0.0659243  -0.0233915  0.0638293   118 SER   A O    
1551 C CB   . SER   A 106 ? 0.429011 0.49451  0.259735 -0.06444    0.00839177  0.0309006   118 SER   A CB   
1552 O OG   . SER   A 106 ? 0.464348 0.536972 0.275279 -0.0678432  0.0112185   0.0395291   118 SER   A OG   
1553 H H    . SER   A 106 ? 0.426276 0.513766 0.290837 -0.0703815  -0.00736398 0.0266711   118 SER   A H    
1554 H HA   . SER   A 106 ? 0.44328  0.529309 0.249684 -0.0839636  0.00018873  0.0122255   118 SER   A HA   
1555 H HB2  . SER   A 106 ? 0.420593 0.471629 0.254196 -0.0631277  0.0173559   0.0188864   118 SER   A HB2  
1556 H HB3  . SER   A 106 ? 0.412288 0.475484 0.260206 -0.0557623  0.00455361  0.04106     118 SER   A HB3  
1558 N N    . LEU   A 107 ? 0.449393 0.580125 0.266766 -0.0878642  -0.0312846  0.0379365   119 LEU   A N    
1559 C CA   . LEU   A 107 ? 0.430318 0.589459 0.254224 -0.0881407  -0.0510876  0.0555939   119 LEU   A CA   
1560 C C    . LEU   A 107 ? 0.488664 0.658622 0.283463 -0.0898345  -0.0570909  0.0729643   119 LEU   A C    
1561 O O    . LEU   A 107 ? 0.504996 0.675843 0.264783 -0.0988626  -0.0491795  0.0628354   119 LEU   A O    
1562 C CB   . LEU   A 107 ? 0.467952 0.649342 0.29717  -0.101059   -0.0638838  0.0437004   119 LEU   A CB   
1563 C CG   . LEU   A 107 ? 0.535989 0.717739 0.405607 -0.0989845  -0.0613903  0.0392905   119 LEU   A CG   
1564 C CD1  . LEU   A 107 ? 0.610328 0.811687 0.489841 -0.116866   -0.0726314  0.0252755   119 LEU   A CD1  
1565 C CD2  . LEU   A 107 ? 0.482921 0.680429 0.383559 -0.0827418  -0.0686785  0.0607985   119 LEU   A CD2  
1566 H H    . LEU   A 107 ? 0.446307 0.573731 0.255659 -0.0958887  -0.0281397  0.0214961   119 LEU   A H    
1567 H HA   . LEU   A 107 ? 0.428943 0.58556  0.276972 -0.0772784  -0.0522166  0.0661287   119 LEU   A HA   
1568 H HB2  . LEU   A 107 ? 0.495485 0.672845 0.304558 -0.111089   -0.0606699  0.0269362   119 LEU   A HB2  
1569 H HB3  . LEU   A 107 ? 0.492399 0.69548  0.318608 -0.102298   -0.0784243  0.0552934   119 LEU   A HB3  
1570 H HG   . LEU   A 107 ? 0.506667 0.666356 0.37915  -0.0957239  -0.047532   0.0321984   119 LEU   A HG   
1571 H HD11 . LEU   A 107 ? 0.607257 0.796557 0.468403 -0.126475   -0.0693042  0.00883755  119 LEU   A HD11 
1572 H HD12 . LEU   A 107 ? 0.576544 0.779008 0.483012 -0.115992   -0.0685293  0.025747    119 LEU   A HD12 
1573 H HD13 . LEU   A 107 ? 0.603911 0.829581 0.482648 -0.11963    -0.0877984  0.0323157   119 LEU   A HD13 
1574 H HD21 . LEU   A 107 ? 0.48154  0.662611 0.381868 -0.0716284  -0.0613091  0.0669249   119 LEU   A HD21 
1575 H HD22 . LEU   A 107 ? 0.505294 0.72219  0.402997 -0.0838782  -0.0829648  0.0705301   119 LEU   A HD22 
1576 H HD23 . LEU   A 107 ? 0.480795 0.686418 0.406075 -0.0819854  -0.0668835  0.0584276   119 LEU   A HD23 
1577 N N    . PRO   A 108 ? 0.480776 0.664863 0.288066 -0.0824976  -0.0730815  0.0996865   120 PRO   A N    
1578 C CA   . PRO   A 108 ? 0.457025 0.650762 0.305405 -0.0715746  -0.085023   0.10782     120 PRO   A CA   
1579 C C    . PRO   A 108 ? 0.436533 0.606055 0.317522 -0.0532773  -0.0755795  0.111994    120 PRO   A C    
1580 O O    . PRO   A 108 ? 0.462716 0.640739 0.377021 -0.0423738  -0.080233   0.112733    120 PRO   A O    
1581 C CB   . PRO   A 108 ? 0.491895 0.710805 0.337704 -0.0700275  -0.108463   0.135077    120 PRO   A CB   
1582 C CG   . PRO   A 108 ? 0.531683 0.740919 0.341318 -0.0750233  -0.103013   0.149969    120 PRO   A CG   
1583 C CD   . PRO   A 108 ? 0.514701 0.714581 0.293337 -0.0868629  -0.0831683  0.123001    120 PRO   A CD   
1584 H HA   . PRO   A 108 ? 0.45707  0.660477 0.312928 -0.0772491  -0.086242   0.0944299   120 PRO   A HA   
1585 H HB2  . PRO   A 108 ? 0.483465 0.701566 0.358272 -0.0574609  -0.114872   0.146897    120 PRO   A HB2  
1586 H HB3  . PRO   A 108 ? 0.506992 0.748494 0.344998 -0.0787044  -0.119342   0.130735    120 PRO   A HB3  
1587 H HG2  . PRO   A 108 ? 0.515087 0.706184 0.340104 -0.0657324  -0.099088   0.161755    120 PRO   A HG2  
1588 H HG3  . PRO   A 108 ? 0.550375 0.77897  0.343484 -0.0797742  -0.116463   0.164806    120 PRO   A HG3  
1589 H HD2  . PRO   A 108 ? 0.521736 0.708639 0.290567 -0.0860414  -0.0722508  0.128222    120 PRO   A HD2  
1590 H HD3  . PRO   A 108 ? 0.541457 0.759497 0.294468 -0.0974598  -0.0884455  0.115578    120 PRO   A HD3  
1591 N N    . LYS   A 109 ? 0.446625 0.589363 0.319072 -0.0498705  -0.0622237  0.112153    121 LYS   A N    
1592 C CA   . LYS   A 109 ? 0.443924 0.563798 0.345003 -0.0328467  -0.0565748  0.113826    121 LYS   A CA   
1593 C C    . LYS   A 109 ? 0.398777 0.513354 0.317639 -0.0262886  -0.0450226  0.0935817   121 LYS   A C    
1594 O O    . LYS   A 109 ? 0.405334 0.519615 0.352813 -0.0101081  -0.0469937  0.0941712   121 LYS   A O    
1595 C CB   . LYS   A 109 ? 0.46176  0.556793 0.350689 -0.0340227  -0.0455638  0.116903    121 LYS   A CB   
1596 C CG   . LYS   A 109 ? 0.481426 0.551097 0.399595 -0.0175118  -0.0429935  0.116338    121 LYS   A CG   
1597 C CD   . LYS   A 109 ? 0.508508 0.557573 0.421385 -0.0212011  -0.0356975  0.123025    121 LYS   A CD   
1598 C CE   . LYS   A 109 ? 0.583578 0.639578 0.482863 -0.0317561  -0.0420742  0.149164    121 LYS   A CE   
1599 N NZ   . LYS   A 109 ? 0.605912 0.655163 0.531166 -0.0229427  -0.0606614  0.174132    121 LYS   A NZ   
1600 H H    . LYS   A 109 ? 0.458342 0.598215 0.306999 -0.058221   -0.0565676  0.109984    121 LYS   A H    
1601 H HA   . LYS   A 109 ? 0.443735 0.568491 0.362978 -0.0239379  -0.0681612  0.127183    121 LYS   A HA   
1602 H HB2  . LYS   A 109 ? 0.486024 0.586253 0.363833 -0.0390271  -0.0515788  0.13271     121 LYS   A HB2  
1603 H HB3  . LYS   A 109 ? 0.462838 0.554334 0.335826 -0.0413158  -0.0343414  0.103303    121 LYS   A HB3  
1604 H HG2  . LYS   A 109 ? 0.460666 0.526684 0.384561 -0.0131163  -0.0355702  0.101033    121 LYS   A HG2  
1605 H HG3  . LYS   A 109 ? 0.481537 0.553465 0.418762 -0.00844322 -0.0543114  0.126403    121 LYS   A HG3  
1606 H HD2  . LYS   A 109 ? 0.506657 0.553071 0.406338 -0.0266609  -0.0237239  0.110011    121 LYS   A HD2  
1607 H HD3  . LYS   A 109 ? 0.506696 0.540096 0.440662 -0.0107825  -0.0376878  0.121988    121 LYS   A HD3  
1608 H HE2  . LYS   A 109 ? 0.583349 0.657879 0.460435 -0.0406581  -0.0427032  0.150096    121 LYS   A HE2  
1609 H HE3  . LYS   A 109 ? 0.57528  0.622975 0.469638 -0.0367389  -0.032958   0.149773    121 LYS   A HE3  
1610 H HZ1  . LYS   A 109 ? 0.602495 0.661529 0.535269 -0.0169929  -0.0692942  0.173508    121 LYS   A HZ1  
1611 H HZ2  . LYS   A 109 ? 0.597487 0.627975 0.54353  -0.0151438  -0.0608496  0.171814    121 LYS   A HZ2  
1612 H HZ3  . LYS   A 109 ? 0.624233 0.678713 0.538746 -0.0309971  -0.0639502  0.192685    121 LYS   A HZ3  
1613 N N    . ILE   A 110 ? 0.36333  0.473165 0.265715 -0.037622   -0.0327576  0.0761929   122 ILE   A N    
1614 C CA   . ILE   A 110 ? 0.363028 0.465734 0.279364 -0.0330066  -0.0212871  0.0626107   122 ILE   A CA   
1615 C C    . ILE   A 110 ? 0.400418 0.519958 0.317204 -0.0473858  -0.0218915  0.0534959   122 ILE   A C    
1616 O O    . ILE   A 110 ? 0.412344 0.529234 0.307541 -0.0624912  -0.0217367  0.0442039   122 ILE   A O    
1617 C CB   . ILE   A 110 ? 0.409266 0.483632 0.313024 -0.0325699  -0.00649569 0.0519095   122 ILE   A CB   
1618 C CG1  . ILE   A 110 ? 0.46621  0.523393 0.36847  -0.0246216  -0.00559115 0.058759    122 ILE   A CG1  
1619 C CG2  . ILE   A 110 ? 0.393059 0.461562 0.309615 -0.0266846  0.00327574  0.0430999   122 ILE   A CG2  
1620 C CD1  . ILE   A 110 ? 0.454079 0.504478 0.379936 -0.00683989 -0.00938811 0.0626545   122 ILE   A CD1  
1621 H H    . ILE   A 110 ? 0.387171 0.498308 0.269213 -0.0481258  -0.0317204  0.0731878   122 ILE   A H    
1622 H HA   . ILE   A 110 ? 0.366775 0.473124 0.302067 -0.021066   -0.0231149  0.0662787   122 ILE   A HA   
1623 H HB   . ILE   A 110 ? 0.417105 0.49007  0.304932 -0.0435251  -0.00377126 0.0453801   122 ILE   A HB   
1624 H HG12 . ILE   A 110 ? 0.463266 0.526754 0.357342 -0.0295092  -0.0115942  0.0680593   122 ILE   A HG12 
1625 H HG13 . ILE   A 110 ? 0.449622 0.49379  0.343453 -0.026999   0.00322354  0.0511232   122 ILE   A HG13 
1626 H HG21 . ILE   A 110 ? 0.389543 0.440923 0.302224 -0.0220479  0.00978588  0.0391313   122 ILE   A HG21 
1627 H HG22 . ILE   A 110 ? 0.386982 0.466271 0.31899  -0.0176644  0.00040077  0.0472496   122 ILE   A HG22 
1628 H HG23 . ILE   A 110 ? 0.397373 0.469664 0.311272 -0.0365692  0.00552511  0.0377036   122 ILE   A HG23 
1629 H HD11 . ILE   A 110 ? 0.444329 0.487583 0.37338  -0.0017032  -0.00235973 0.0536392   122 ILE   A HD11 
1630 H HD12 . ILE   A 110 ? 0.458373 0.49813  0.385777 -0.00439046 -0.0120213  0.0690013   122 ILE   A HD12 
1631 H HD13 . ILE   A 110 ? 0.454611 0.519125 0.392467 -0.00237369 -0.0168207  0.067588    122 ILE   A HD13 
1632 N N    . PRO   A 111 ? 0.411846 0.551536 0.355124 -0.0438135  -0.023104   0.0550105   123 PRO   A N    
1633 C CA   . PRO   A 111 ? 0.399591 0.556823 0.351193 -0.0604998  -0.0248326  0.048572    123 PRO   A CA   
1634 C C    . PRO   A 111 ? 0.360307 0.493829 0.305658 -0.0695536  -0.0109132  0.0367247   123 PRO   A C    
1635 O O    . PRO   A 111 ? 0.382289 0.491578 0.319815 -0.0600671  0.00024184  0.0347391   123 PRO   A O    
1636 C CB   . PRO   A 111 ? 0.460521 0.651391 0.448131 -0.0518597  -0.0280183  0.0572378   123 PRO   A CB   
1637 C CG   . PRO   A 111 ? 0.446703 0.626425 0.440395 -0.0286155  -0.0204686  0.0606844   123 PRO   A CG   
1638 C CD   . PRO   A 111 ? 0.434521 0.582167 0.403252 -0.0236639  -0.0215576  0.0610351   123 PRO   A CD   
1639 H HA   . PRO   A 111 ? 0.42067  0.585935 0.361708 -0.0704468  -0.0344275  0.0473434   123 PRO   A HA   
1640 H HB2  . PRO   A 111 ? 0.440523 0.639103 0.439795 -0.0594952  -0.0223247  0.0544156   123 PRO   A HB2  
1641 H HB3  . PRO   A 111 ? 0.449413 0.660482 0.444322 -0.0530857  -0.0406138  0.0628107   123 PRO   A HB3  
1642 H HG2  . PRO   A 111 ? 0.436095 0.611073 0.432747 -0.0263543  -0.0090545  0.0569121   123 PRO   A HG2  
1643 H HG3  . PRO   A 111 ? 0.441072 0.640606 0.454168 -0.0184852  -0.0265364  0.0664067   123 PRO   A HG3  
1644 H HD2  . PRO   A 111 ? 0.420628 0.550863 0.385779 -0.0164866  -0.0124502  0.0567584   123 PRO   A HD2  
1645 H HD3  . PRO   A 111 ? 0.431503 0.583694 0.40585  -0.0159213  -0.0308321  0.0690138   123 PRO   A HD3  
1646 N N    . SER   A 112 ? 0.402194 0.540971 0.351599 -0.0887192  -0.0144971  0.0285539   124 SER   A N    
1647 C CA   . SER   A 112 ? 0.415964 0.534125 0.370876 -0.0989266  -0.0044894  0.021019    124 SER   A CA   
1648 C C    . SER   A 112 ? 0.387128 0.508434 0.360655 -0.0875739  0.00852829  0.0330352   124 SER   A C    
1649 O O    . SER   A 112 ? 0.359927 0.512822 0.353836 -0.0803832  0.00769261  0.0433266   124 SER   A O    
1650 C CB   . SER   A 112 ? 0.48226  0.615136 0.45524  -0.122033   -0.0141252  0.0149232   124 SER   A CB   
1651 O OG   . SER   A 112 ? 0.674739 0.80204  0.623723 -0.13229    -0.0255801  -0.00131938 124 SER   A OG   
1652 H H    . SER   A 112 ? 0.407488 0.563126 0.357622 -0.0962423  -0.0253455  0.0280485   124 SER   A H    
1653 H HA   . SER   A 112 ? 0.42561  0.519203 0.362815 -0.0988372  -0.00029149 0.0122533   124 SER   A HA   
1654 H HB2  . SER   A 112 ? 0.498694 0.660274 0.490657 -0.122441   -0.019327   0.0235      124 SER   A HB2  
1655 H HB3  . SER   A 112 ? 0.509053 0.627082 0.491133 -0.12876    -0.0075968  0.013395    124 SER   A HB3  
1657 N N    . ASN   A 113 ? 0.369869 0.461209 0.336278 -0.0866692  0.0195575   0.0306323   125 ASN   A N    
1658 C CA   . ASN   A 113 ? 0.361848 0.454638 0.339398 -0.0796549  0.0318388   0.0423406   125 ASN   A CA   
1659 C C    . ASN   A 113 ? 0.379706 0.492011 0.357257 -0.0568166  0.0356777   0.0489206   125 ASN   A C    
1660 O O    . ASN   A 113 ? 0.351532 0.488901 0.344042 -0.0515889  0.0442092   0.0591379   125 ASN   A O    
1661 C CB   . ASN   A 113 ? 0.43171  0.544946 0.436878 -0.0980588  0.0325232   0.051023    125 ASN   A CB   
1662 C CG   . ASN   A 113 ? 0.394379 0.479504 0.40159  -0.119665   0.0267243   0.0406012   125 ASN   A CG   
1663 O OD1  . ASN   A 113 ? 0.432678 0.532622 0.459088 -0.138848   0.0173893   0.03764     125 ASN   A OD1  
1664 N ND2  . ASN   A 113 ? 0.439376 0.484619 0.431242 -0.116289   0.0313468   0.0340058   125 ASN   A ND2  
1665 H H    . ASN   A 113 ? 0.383012 0.452855 0.336069 -0.0901311  0.0192645   0.0213912   125 ASN   A H    
1666 H HA   . ASN   A 113 ? 0.383983 0.450926 0.351769 -0.07834    0.036674    0.0396891   125 ASN   A HA   
1667 H HB2  . ASN   A 113 ? 0.397894 0.539327 0.415803 -0.0998686  0.0269056   0.0530332   125 ASN   A HB2  
1668 H HB3  . ASN   A 113 ? 0.401129 0.519155 0.412415 -0.0942231  0.0419415   0.0615216   125 ASN   A HB3  
1669 H HD21 . ASN   A 113 ? 0.444477 0.470782 0.437841 -0.126687   0.0276923   0.0250314   125 ASN   A HD21 
1670 H HD22 . ASN   A 113 ? 0.419276 0.456548 0.401218 -0.103477   0.0375872   0.0378347   125 ASN   A HD22 
1671 N N    . ALA   A 114 ? 0.330202 0.428361 0.291166 -0.0437164  0.0312388   0.0426355   126 ALA   A N    
1672 C CA   . ALA   A 114 ? 0.350835 0.459987 0.314549 -0.0223337  0.0312051   0.0447825   126 ALA   A CA   
1673 C C    . ALA   A 114 ? 0.334083 0.424759 0.286097 -0.00878665 0.0405713   0.042971    126 ALA   A C    
1674 O O    . ALA   A 114 ? 0.34609  0.40792  0.2839   -0.0118054  0.0426866   0.0389584   126 ALA   A O    
1675 C CB   . ALA   A 114 ? 0.369612 0.473042 0.327292 -0.0174568  0.0200702   0.0426995   126 ALA   A CB   
1676 H H    . ALA   A 114 ? 0.351502 0.43266  0.30064  -0.0486515  0.0281923   0.0364318   126 ALA   A H    
1677 H HA   . ALA   A 114 ? 0.343062 0.478574 0.322755 -0.0197314  0.0320031   0.0494383   126 ALA   A HA   
1678 H HB1  . ALA   A 114 ? 0.367177 0.485279 0.330703 -0.0252788  0.0129515   0.0450815   126 ALA   A HB1  
1679 H HB2  . ALA   A 114 ? 0.365829 0.447831 0.309077 -0.0206537  0.0206598   0.0385887   126 ALA   A HB2  
1680 H HB3  . ALA   A 114 ? 0.358471 0.46585  0.321812 -0.00325201 0.018759    0.0435283   126 ALA   A HB3  
1681 N N    . THR   A 115 ? 0.316197 0.429411 0.276032 0.00655102  0.0459096   0.0451961   127 THR   A N    
1682 C CA   . THR   A 115 ? 0.340664 0.443056 0.287175 0.0233424   0.0507827   0.040634    127 THR   A CA   
1683 C C    . THR   A 115 ? 0.308601 0.400425 0.25591  0.0397629   0.0410099   0.0305126   127 THR   A C    
1684 O O    . THR   A 115 ? 0.33245  0.441411 0.296257 0.0466936   0.0347322   0.0297657   127 THR   A O    
1685 C CB   . THR   A 115 ? 0.3428   0.477911 0.293315 0.0316982   0.0620818   0.0457429   127 THR   A CB   
1686 O OG1  . THR   A 115 ? 0.364538 0.500869 0.314833 0.0135933   0.0703699   0.0592781   127 THR   A OG1  
1687 C CG2  . THR   A 115 ? 0.381873 0.510791 0.313296 0.0501124   0.0654939   0.0389873   127 THR   A CG2  
1688 H H    . THR   A 115 ? 0.324566 0.4627   0.298432 0.00695542  0.0462158   0.0484433   127 THR   A H    
1689 H HA   . THR   A 115 ? 0.33324  0.414708 0.268736 0.017978    0.0524601   0.0410661   127 THR   A HA   
1690 H HB   . THR   A 115 ? 0.349833 0.510124 0.315265 0.0364422   0.06192     0.0452547   127 THR   A HB   
1692 H HG21 . THR   A 115 ? 0.381779 0.53404  0.311523 0.0536314   0.0743978   0.0438622   127 THR   A HG21 
1693 H HG22 . THR   A 115 ? 0.374674 0.479953 0.29438  0.0455449   0.0642304   0.0402785   127 THR   A HG22 
1694 H HG23 . THR   A 115 ? 0.370674 0.497198 0.304165 0.0630054   0.0594094   0.0283771   127 THR   A HG23 
1695 N N    . LEU   A 116 ? 0.304261 0.368083 0.23836  0.0450891   0.0385784   0.0241218   128 LEU   A N    
1696 C CA   . LEU   A 116 ? 0.357793 0.406081 0.296687 0.0568724   0.0281114   0.0158356   128 LEU   A CA   
1697 C C    . LEU   A 116 ? 0.3637   0.408457 0.296955 0.0755015   0.0271622   0.00381584  128 LEU   A C    
1698 O O    . LEU   A 116 ? 0.362296 0.407528 0.279863 0.0769046   0.033686    0.00364288  128 LEU   A O    
1699 C CB   . LEU   A 116 ? 0.350301 0.371129 0.283878 0.046291    0.0238327   0.0168295   128 LEU   A CB   
1700 C CG   . LEU   A 116 ? 0.433858 0.454012 0.364614 0.0276033   0.0239841   0.0242579   128 LEU   A CG   
1701 C CD1  . LEU   A 116 ? 0.415117 0.418339 0.345049 0.0232556   0.0185439   0.0256553   128 LEU   A CD1  
1702 C CD2  . LEU   A 116 ? 0.392908 0.434784 0.331381 0.0217838   0.0211132   0.0305177   128 LEU   A CD2  
1703 H H    . LEU   A 116 ? 0.319515 0.373495 0.244064 0.0408455   0.0428032   0.0256834   128 LEU   A H    
1704 H HA   . LEU   A 116 ? 0.344244 0.403115 0.295572 0.0604361   0.0233042   0.0168073   128 LEU   A HA   
1705 H HB2  . LEU   A 116 ? 0.369559 0.380204 0.294628 0.046146    0.0273612   0.0142895   128 LEU   A HB2  
1706 H HB3  . LEU   A 116 ? 0.370157 0.382825 0.310774 0.0530179   0.0167967   0.013791    128 LEU   A HB3  
1707 H HG   . LEU   A 116 ? 0.405529 0.420496 0.328448 0.0202542   0.029967    0.0236949   128 LEU   A HG   
1708 H HD11 . LEU   A 116 ? 0.419743 0.410306 0.347605 0.0260343   0.0204445   0.0211854   128 LEU   A HD11 
1709 H HD12 . LEU   A 116 ? 0.422238 0.427085 0.34544  0.0118822   0.0200819   0.0284475   128 LEU   A HD12 
1710 H HD13 . LEU   A 116 ? 0.422517 0.427515 0.36194  0.0290251   0.0114601   0.0285737   128 LEU   A HD13 
1711 H HD21 . LEU   A 116 ? 0.403956 0.457563 0.343494 0.0193649   0.026448    0.0313056   128 LEU   A HD21 
1712 H HD22 . LEU   A 116 ? 0.405989 0.455027 0.355164 0.0311801   0.0152971   0.0314399   128 LEU   A HD22 
1713 H HD23 . LEU   A 116 ? 0.40789  0.447337 0.341336 0.0108079   0.0190087   0.0332344   128 LEU   A HD23 
1714 N N    . PHE   A 117 ? 0.336754 0.377839 0.283975 0.0905311   0.0169123   -0.00651667 129 PHE   A N    
1715 C CA   . PHE   A 117 ? 0.346443 0.380538 0.290745 0.108433    0.0113964   -0.0235886  129 PHE   A CA   
1716 C C    . PHE   A 117 ? 0.36009  0.363053 0.317782 0.107499    -0.00265957 -0.0279125  129 PHE   A C    
1717 O O    . PHE   A 117 ? 0.383249 0.37864  0.360043 0.103542    -0.0101102  -0.0203334  129 PHE   A O    
1718 C CB   . PHE   A 117 ? 0.345649 0.405316 0.299747 0.128105    0.0122498   -0.0354525  129 PHE   A CB   
1719 C CG   . PHE   A 117 ? 0.403872 0.457047 0.353871 0.148741    0.00461371  -0.0593945  129 PHE   A CG   
1720 C CD1  . PHE   A 117 ? 0.42108  0.49108  0.34445  0.157034    0.0121919   -0.0676807  129 PHE   A CD1  
1721 C CD2  . PHE   A 117 ? 0.420658 0.450346 0.394272 0.159083    -0.0119322  -0.072978   129 PHE   A CD2  
1722 C CE1  . PHE   A 117 ? 0.4296   0.496361 0.346338 0.176533    0.00296117  -0.0934389  129 PHE   A CE1  
1723 C CE2  . PHE   A 117 ? 0.473681 0.494213 0.445262 0.176646    -0.0217875  -0.0989712  129 PHE   A CE2  
1724 C CZ   . PHE   A 117 ? 0.470171 0.511498 0.411365 0.18615     -0.0143571  -0.111253   129 PHE   A CZ   
1725 H H    . PHE   A 117 ? 0.341865 0.384132 0.301683 0.0892567   0.0120135   -0.00294947 129 PHE   A H    
1726 H HA   . PHE   A 117 ? 0.350262 0.385368 0.278577 0.107859    0.0163459   -0.0242574  129 PHE   A HA   
1727 H HB2  . PHE   A 117 ? 0.356102 0.439158 0.302467 0.12679     0.0229922   -0.0304827  129 PHE   A HB2  
1728 H HB3  . PHE   A 117 ? 0.354813 0.413914 0.327175 0.129053    0.00668892  -0.0329718  129 PHE   A HB3  
1729 H HD1  . PHE   A 117 ? 0.412795 0.497659 0.322591 0.149671    0.0229615   -0.0559011  129 PHE   A HD1  
1730 H HD2  . PHE   A 117 ? 0.419605 0.437532 0.410139 0.152635    -0.0176239  -0.0637895  129 PHE   A HD2  
1731 H HE1  . PHE   A 117 ? 0.452511 0.533319 0.34738  0.182216    0.00752989  -0.0982574  129 PHE   A HE1  
1732 H HE2  . PHE   A 117 ? 0.47179  0.473635 0.462843 0.182771    -0.0341261  -0.108547   129 PHE   A HE2  
1733 H HZ   . PHE   A 117 ? 0.484287 0.52191  0.421845 0.198782    -0.0221139  -0.131218   129 PHE   A HZ   
1734 N N    . PHE   A 118 ? 0.380579 0.368797 0.331941 0.112465    -0.00811831 -0.0392364  130 PHE   A N    
1735 C CA   . PHE   A 118 ? 0.397516 0.35964  0.368547 0.113044    -0.022844   -0.0458379  130 PHE   A CA   
1736 C C    . PHE   A 118 ? 0.442412 0.399126 0.413355 0.130128    -0.0337777  -0.0698881  130 PHE   A C    
1737 O O    . PHE   A 118 ? 0.449999 0.420861 0.396957 0.137291    -0.0290415  -0.0778086  130 PHE   A O    
1738 C CB   . PHE   A 118 ? 0.356622 0.304017 0.3274   0.095426    -0.021273   -0.0345377  130 PHE   A CB   
1739 C CG   . PHE   A 118 ? 0.36366  0.313627 0.332462 0.0773888   -0.0122371  -0.0149905  130 PHE   A CG   
1740 C CD1  . PHE   A 118 ? 0.361555 0.324843 0.311439 0.0699285   0.00063446  -0.00804299 130 PHE   A CD1  
1741 C CD2  . PHE   A 118 ? 0.405078 0.344397 0.391072 0.0674981   -0.0178399  -0.00341852 130 PHE   A CD2  
1742 C CE1  . PHE   A 118 ? 0.354248 0.319674 0.300785 0.053638    0.00698293  0.00461993  130 PHE   A CE1  
1743 C CE2  . PHE   A 118 ? 0.383397 0.329577 0.360957 0.0514055   -0.00969067 0.0124092   130 PHE   A CE2  
1744 C CZ   . PHE   A 118 ? 0.389095 0.348386 0.346761 0.0455143   0.00184976  0.0135917   130 PHE   A CZ   
1745 H H    . PHE   A 118 ? 0.381887 0.377233 0.317787 0.114846    -0.00334845 -0.0418049  130 PHE   A H    
1746 H HA   . PHE   A 118 ? 0.396453 0.354225 0.383869 0.113388    -0.0278486  -0.0421144  130 PHE   A HA   
1747 H HB2  . PHE   A 118 ? 0.36738  0.31839  0.324538 0.0964654   -0.0175964  -0.0377586  130 PHE   A HB2  
1748 H HB3  . PHE   A 118 ? 0.374391 0.307253 0.360935 0.0953632   -0.0308593  -0.0384933  130 PHE   A HB3  
1749 H HD1  . PHE   A 118 ? 0.362103 0.332601 0.301198 0.0753226   0.00454849  -0.0120764  130 PHE   A HD1  
1750 H HD2  . PHE   A 118 ? 0.400244 0.327986 0.402712 0.0710939   -0.0273729  -0.00616072 130 PHE   A HD2  
1751 H HE1  . PHE   A 118 ? 0.358624 0.330629 0.29492  0.0481618   0.0141904   0.00727744  130 PHE   A HE1  
1752 H HE2  . PHE   A 118 ? 0.393965 0.336057 0.379729 0.044587    -0.012995   0.0222207   130 PHE   A HE2  
1753 H HZ   . PHE   A 118 ? 0.37611  0.339782 0.327586 0.0350429   0.0060192   0.0209846   130 PHE   A HZ   
1754 N N    . GLU   A 119 ? 0.413113 0.349305 0.411091 0.136107    -0.0496038  -0.0805404  131 GLU   A N    
1755 C CA   . GLU   A 119 ? 0.451346 0.372294 0.456711 0.144748    -0.065122   -0.102891   131 GLU   A CA   
1756 C C    . GLU   A 119 ? 0.474553 0.372198 0.502403 0.126483    -0.0731996  -0.0913146  131 GLU   A C    
1757 O O    . GLU   A 119 ? 0.49752  0.38052  0.550077 0.115762    -0.0763538  -0.0754059  131 GLU   A O    
1758 C CB   . GLU   A 119 ? 0.427609 0.341041 0.452589 0.164649    -0.0779838  -0.126015   131 GLU   A CB   
1759 C CG   . GLU   A 119 ? 0.489453 0.38635  0.5236   0.17617     -0.0975881  -0.156958   131 GLU   A CG   
1760 C CD   . GLU   A 119 ? 0.491517 0.381633 0.544865 0.198849    -0.108615   -0.183658   131 GLU   A CD   
1761 O OE1  . GLU   A 119 ? 0.543985 0.459331 0.577918 0.221315    -0.102721   -0.206738   131 GLU   A OE1  
1762 O OE2  . GLU   A 119 ? 0.576755 0.433626 0.671103 0.195202    -0.124956   -0.182633   131 GLU   A OE2  
1763 H H    . GLU   A 119 ? 0.426539 0.357476 0.440292 0.134423    -0.05212    -0.0734575  131 GLU   A H    
1764 H HA   . GLU   A 119 ? 0.44565  0.379196 0.429071 0.149656    -0.0615192  -0.110235   131 GLU   A HA   
1765 H HB2  . GLU   A 119 ? 0.447919 0.382098 0.458956 0.175761    -0.0696113  -0.131598   131 GLU   A HB2  
1766 H HB3  . GLU   A 119 ? 0.444803 0.344492 0.492887 0.159892    -0.0825401  -0.115905   131 GLU   A HB3  
1767 H HG2  . GLU   A 119 ? 0.474659 0.351283 0.528937 0.164535    -0.106913   -0.151197   131 GLU   A HG2  
1768 H HG3  . GLU   A 119 ? 0.477934 0.389709 0.487042 0.180807    -0.0945315  -0.165956   131 GLU   A HG3  
1769 N N    . ILE   A 120 ? 0.471701 0.368319 0.493818 0.124687    -0.0784401  -0.100084   132 ILE   A N    
1770 C CA   . ILE   A 120 ? 0.428268 0.312244 0.472942 0.107146    -0.0827857  -0.0888538  132 ILE   A CA   
1771 C C    . ILE   A 120 ? 0.463174 0.335865 0.525606 0.113241    -0.103955   -0.112435   132 ILE   A C    
1772 O O    . ILE   A 120 ? 0.479081 0.363929 0.517917 0.126458    -0.108605   -0.13093    132 ILE   A O    
1773 C CB   . ILE   A 120 ? 0.413444 0.31208  0.438997 0.0967207   -0.0673861  -0.0735347  132 ILE   A CB   
1774 C CG1  . ILE   A 120 ? 0.397852 0.308124 0.403361 0.09047     -0.0480149  -0.05473    132 ILE   A CG1  
1775 C CG2  . ILE   A 120 ? 0.433185 0.325393 0.486366 0.081049    -0.0703299  -0.0648118  132 ILE   A CG2  
1776 C CD1  . ILE   A 120 ? 0.406987 0.328394 0.392386 0.0838089   -0.0338252  -0.044716   132 ILE   A CD1  
1777 H H    . ILE   A 120 ? 0.472381 0.379148 0.476681 0.134933    -0.0793209  -0.112932   132 ILE   A H    
1778 H HA   . ILE   A 120 ? 0.43722  0.311189 0.500828 0.0984237   -0.0831974  -0.0768504  132 ILE   A HA   
1779 H HB   . ILE   A 120 ? 0.422248 0.329266 0.430644 0.105446    -0.0688451  -0.0832089  132 ILE   A HB   
1780 H HG12 . ILE   A 120 ? 0.398984 0.30337  0.418156 0.081259    -0.0467107  -0.0437313  132 ILE   A HG12 
1781 H HG13 . ILE   A 120 ? 0.407681 0.3244   0.401838 0.100077    -0.0468666  -0.0601461  132 ILE   A HG13 
1782 H HG21 . ILE   A 120 ? 0.412327 0.313247 0.456061 0.0748998   -0.0587465  -0.0546089  132 ILE   A HG21 
1783 H HG22 . ILE   A 120 ? 0.427402 0.310363 0.500672 0.0730282   -0.0724635  -0.0568224  132 ILE   A HG22 
1784 H HG23 . ILE   A 120 ? 0.434945 0.325144 0.496662 0.0852198   -0.0818791  -0.0773158  132 ILE   A HG23 
1785 H HD11 . ILE   A 120 ? 0.405974 0.332152 0.379594 0.0920158   -0.0365753  -0.0524931  132 ILE   A HD11 
1786 H HD12 . ILE   A 120 ? 0.393377 0.321287 0.366698 0.0810046   -0.0240955  -0.0366163  132 ILE   A HD12 
1787 H HD13 . ILE   A 120 ? 0.394212 0.312046 0.392033 0.0743338   -0.0322606  -0.038676   132 ILE   A HD13 
1788 N N    . GLU   A 121 ? 0.475658 0.327539 0.579527 0.101118    -0.116628   -0.108679   133 GLU   A N    
1789 C CA   . GLU   A 121 ? 0.50491  0.347531 0.633554 0.100196    -0.13734    -0.12741    133 GLU   A CA   
1790 C C    . GLU   A 121 ? 0.490584 0.340052 0.640536 0.0799044   -0.1321     -0.107766   133 GLU   A C    
1791 O O    . GLU   A 121 ? 0.491236 0.336361 0.662073 0.0629986   -0.122856   -0.0830642  133 GLU   A O    
1792 C CB   . GLU   A 121 ? 0.526811 0.339458 0.694765 0.101888    -0.157991   -0.140307   133 GLU   A CB   
1793 C CG   . GLU   A 121 ? 0.54722  0.345442 0.747706 0.100808    -0.184858   -0.16552    133 GLU   A CG   
1794 C CD   . GLU   A 121 ? 0.577158 0.33853  0.828858 0.096525    -0.206462   -0.173045   133 GLU   A CD   
1795 O OE1  . GLU   A 121 ? 0.636276 0.381166 0.898198 0.0981179   -0.202786   -0.160255   133 GLU   A OE1  
1796 O OE2  . GLU   A 121 ? 0.647271 0.394305 0.933146 0.0913248   -0.22942    -0.191335   133 GLU   A OE2  
1797 H H    . GLU   A 121 ? 0.472604 0.317027 0.590365 0.0925384   -0.112959   -0.0932712  133 GLU   A H    
1798 H HA   . GLU   A 121 ? 0.509391 0.362101 0.616452 0.112306    -0.141584   -0.144709   133 GLU   A HA   
1799 H HB2  . GLU   A 121 ? 0.537422 0.348299 0.69207  0.116579    -0.158816   -0.152824   133 GLU   A HB2  
1800 H HB3  . GLU   A 121 ? 0.521373 0.324781 0.709922 0.089087    -0.153925   -0.119363   133 GLU   A HB3  
1801 H HG2  . GLU   A 121 ? 0.536851 0.343319 0.748582 0.0880133   -0.18327    -0.154815   133 GLU   A HG2  
1802 H HG3  . GLU   A 121 ? 0.561319 0.367741 0.739469 0.115634    -0.191362   -0.189036   133 GLU   A HG3  
1803 N N    . LEU   A 122 ? 0.457459 0.320531 0.603358 0.082702    -0.139031   -0.119266   134 LEU   A N    
1804 C CA   . LEU   A 122 ? 0.457876 0.332235 0.630873 0.0665435   -0.135587   -0.10499    134 LEU   A CA   
1805 C C    . LEU   A 122 ? 0.474955 0.334996 0.701053 0.0554397   -0.15777    -0.113215   134 LEU   A C    
1806 O O    . LEU   A 122 ? 0.557391 0.41545  0.791459 0.0634392   -0.180359   -0.138638   134 LEU   A O    
1807 C CB   . LEU   A 122 ? 0.456545 0.353103 0.608206 0.0745016   -0.133745   -0.109397   134 LEU   A CB   
1808 C CG   . LEU   A 122 ? 0.418639 0.331863 0.602687 0.0618082   -0.130041   -0.097491   134 LEU   A CG   
1809 C CD1  . LEU   A 122 ? 0.391649 0.308766 0.581933 0.0472081   -0.105196   -0.0722803  134 LEU   A CD1  
1810 C CD2  . LEU   A 122 ? 0.45455  0.38687  0.6143   0.0741307   -0.128719   -0.099806   134 LEU   A CD2  
1811 H H    . LEU   A 122 ? 0.479602 0.347313 0.60582  0.0956467   -0.146097   -0.136177   134 LEU   A H    
1812 H HA   . LEU   A 122 ? 0.440779 0.317765 0.615613 0.0565222   -0.11989    -0.0851566  134 LEU   A HA   
1813 H HB2  . LEU   A 122 ? 0.439106 0.341485 0.559602 0.080129    -0.119859   -0.102523   134 LEU   A HB2  
1814 H HB3  . LEU   A 122 ? 0.466945 0.363243 0.611482 0.0849981   -0.149588   -0.128334   134 LEU   A HB3  
1815 H HG   . LEU   A 122 ? 0.439365 0.34998  0.656967 0.0555197   -0.144871   -0.104366   134 LEU   A HG   
1816 H HD11 . LEU   A 122 ? 0.399588 0.307175 0.611161 0.03736     -0.107333   -0.0666379  134 LEU   A HD11 
1817 H HD12 . LEU   A 122 ? 0.385789 0.317456 0.59064  0.0422497   -0.0988916  -0.0659948  134 LEU   A HD12 
1818 H HD13 . LEU   A 122 ? 0.386893 0.302863 0.546156 0.0524159   -0.0933367  -0.0676013  134 LEU   A HD13 
1819 H HD21 . LEU   A 122 ? 0.45843  0.392551 0.616107 0.0823677   -0.146502   -0.115056   134 LEU   A HD21 
1820 H HD22 . LEU   A 122 ? 0.436613 0.368537 0.563575 0.0805826   -0.117      -0.0946804  134 LEU   A HD22 
1821 H HD23 . LEU   A 122 ? 0.431893 0.375441 0.612552 0.0672786   -0.122409   -0.090722   134 LEU   A HD23 
1822 N N    . LEU   A 123 ? 0.4724   0.325627 0.735684 0.0352029   -0.151584   -0.0901399  135 LEU   A N    
1823 C CA   . LEU   A 123 ? 0.56642  0.404378 0.887613 0.0207062   -0.172632   -0.0932809  135 LEU   A CA   
1824 C C    . LEU   A 123 ? 0.531313 0.393816 0.885275 0.00938742  -0.176395   -0.0923787  135 LEU   A C    
1825 O O    . LEU   A 123 ? 0.57098  0.428925 0.959125 0.00708185  -0.201365   -0.111442   135 LEU   A O    
1826 C CB   . LEU   A 123 ? 0.577836 0.401466 0.925306 0.0023544   -0.163536   -0.0627998  135 LEU   A CB   
1827 C CG   . LEU   A 123 ? 0.628926 0.430001 0.95152  0.0140686   -0.162074   -0.0613935  135 LEU   A CG   
1828 C CD1  . LEU   A 123 ? 0.654062 0.450056 0.991106 -0.00361495 -0.14916    -0.0239614  135 LEU   A CD1  
1829 C CD2  . LEU   A 123 ? 0.67108  0.441125 1.0141   0.0260511   -0.190796   -0.091401   135 LEU   A CD2  
1830 H H    . LEU   A 123 ? 0.473666 0.332555 0.726907 0.0293984   -0.134475   -0.0714697  135 LEU   A H    
1831 H HA   . LEU   A 123 ? 0.569098 0.391019 0.89211  0.0306487   -0.19126    -0.115826   135 LEU   A HA   
1832 H HB2  . LEU   A 123 ? 0.567353 0.409966 0.909934 -0.00702907 -0.14469    -0.0424792  135 LEU   A HB2  
1833 H HB3  . LEU   A 123 ? 0.6036   0.415664 0.99304  -0.00902748 -0.177705   -0.0623136  135 LEU   A HB3  
1834 H HG   . LEU   A 123 ? 0.610065 0.422779 0.892798 0.0266125   -0.151212   -0.0666767  135 LEU   A HG   
1835 H HD11 . LEU   A 123 ? 0.626137 0.444487 0.951361 -0.0118206  -0.131164   -0.00791589 135 LEU   A HD11 
1836 H HD12 . LEU   A 123 ? 0.648726 0.434548 0.967598 0.00543824  -0.147757   -0.0226003  135 LEU   A HD12 
1837 H HD13 . LEU   A 123 ? 0.664753 0.446545 1.04185  -0.0159439  -0.160591   -0.0166559  135 LEU   A HD13 
1838 H HD21 . LEU   A 123 ? 0.668565 0.445483 0.987947 0.0411707   -0.196046   -0.115529   135 LEU   A HD21 
1839 H HD22 . LEU   A 123 ? 0.683613 0.443583 1.06718  0.0139852   -0.204378   -0.091566   135 LEU   A HD22 
1840 H HD23 . LEU   A 123 ? 0.677972 0.431625 1.01862  0.0311536   -0.191372   -0.0873139  135 LEU   A HD23 
1841 N N    . ASP   A 124 ? 0.538739 0.429337 0.883428 0.00351479  -0.151878   -0.0721494  136 ASP   A N    
1842 C CA   . ASP   A 124 ? 0.510569 0.429526 0.893508 -0.00725301 -0.151155   -0.0674673  136 ASP   A CA   
1843 C C    . ASP   A 124 ? 0.482099 0.428635 0.838761 -0.00452147 -0.121497   -0.0520204  136 ASP   A C    
1844 O O    . ASP   A 124 ? 0.451667 0.393651 0.771586 -0.00274156 -0.101108   -0.039277   136 ASP   A O    
1845 C CB   . ASP   A 124 ? 0.516041 0.434103 0.963477 -0.0331156  -0.156149   -0.05096    136 ASP   A CB   
1846 C CG   . ASP   A 124 ? 0.557722 0.504037 1.0608   -0.0443754  -0.16624    -0.054112   136 ASP   A CG   
1847 O OD1  . ASP   A 124 ? 0.490483 0.455345 0.984168 -0.0299146  -0.174754   -0.0724068  136 ASP   A OD1  
1848 O OD2  . ASP   A 124 ? 0.628695 0.579667 1.18844  -0.0683009  -0.16736    -0.0366905  136 ASP   A OD2  
1849 H H    . ASP   A 124 ? 0.512269 0.40531  0.827578 0.0068534   -0.135199   -0.0620639  136 ASP   A H    
1850 H HA   . ASP   A 124 ? 0.520062 0.441838 0.90486  0.00168071  -0.168284   -0.0867121  136 ASP   A HA   
1851 H HB2  . ASP   A 124 ? 0.546595 0.439314 1.00587  -0.0346172  -0.172534   -0.0581517  136 ASP   A HB2  
1852 H HB3  . ASP   A 124 ? 0.518142 0.442926 0.96348  -0.0428992  -0.136278   -0.028549   136 ASP   A HB3  
1853 N N    . PHE   A 125 ? 0.435404 0.410285 0.814125 -0.00315261 -0.121585   -0.055571   137 PHE   A N    
1854 C CA   . PHE   A 125 ? 0.384732 0.387753 0.759557 -0.00362931 -0.0945562  -0.0419641  137 PHE   A CA   
1855 C C    . PHE   A 125 ? 0.372989 0.41035  0.807214 -0.0128979  -0.0959952  -0.039657   137 PHE   A C    
1856 O O    . PHE   A 125 ? 0.368165 0.409704 0.837352 -0.0131029  -0.121738   -0.0529818  137 PHE   A O    
1857 C CB   . PHE   A 125 ? 0.388532 0.389301 0.712097 0.0182721   -0.0896193  -0.0511235  137 PHE   A CB   
1858 C CG   . PHE   A 125 ? 0.438784 0.439526 0.755274 0.035425    -0.114954   -0.0706417  137 PHE   A CG   
1859 C CD1  . PHE   A 125 ? 0.424388 0.45093  0.767145 0.0417624   -0.119913   -0.0734586  137 PHE   A CD1  
1860 C CD2  . PHE   A 125 ? 0.502196 0.48084  0.786692 0.0462187   -0.134374   -0.0863397  137 PHE   A CD2  
1861 C CE1  . PHE   A 125 ? 0.448544 0.477845 0.78248  0.0576232   -0.14577    -0.0885559  137 PHE   A CE1  
1862 C CE2  . PHE   A 125 ? 0.554385 0.538366 0.828518 0.0614837   -0.158351   -0.103871   137 PHE   A CE2  
1863 C CZ   . PHE   A 125 ? 0.501597 0.510322 0.797814 0.0669125   -0.164672   -0.103282   137 PHE   A CZ   
1864 H H    . PHE   A 125 ? 0.446561 0.42351  0.844984 -0.00090323 -0.140429   -0.068547   137 PHE   A H    
1865 H HA   . PHE   A 125 ? 0.38771  0.389851 0.755743 -0.0127782  -0.0774859  -0.0270406  137 PHE   A HA   
1866 H HB2  . PHE   A 125 ? 0.383672 0.400916 0.70929  0.0182809   -0.0728216  -0.0441197  137 PHE   A HB2  
1867 H HB3  . PHE   A 125 ? 0.393579 0.377482 0.68339  0.0213472   -0.0843464  -0.0493115  137 PHE   A HB3  
1868 H HD1  . PHE   A 125 ? 0.420492 0.464651 0.786523 0.0361717   -0.105536   -0.0648253  137 PHE   A HD1  
1869 H HD2  . PHE   A 125 ? 0.49957  0.461707 0.770709 0.0434882   -0.132008   -0.0855724  137 PHE   A HD2  
1870 H HE1  . PHE   A 125 ? 0.455264 0.502643 0.808838 0.0626446   -0.150325   -0.0888343  137 PHE   A HE1  
1871 H HE2  . PHE   A 125 ? 0.54566  0.517913 0.794944 0.0695878   -0.169949   -0.115897   137 PHE   A HE2  
1872 H HZ   . PHE   A 125 ? 0.516905 0.530268 0.80332  0.0775953   -0.182256   -0.113372   137 PHE   A HZ   
1873 N N    . LYS   A 126 ? 0.377353 0.443249 0.822952 -0.0194008  -0.0678867  -0.0246669  138 LYS   A N    
1874 C CA   . LYS   A 126 ? 0.432414 0.538283 0.939895 -0.0302586  -0.0628312  -0.0190659  138 LYS   A CA   
1875 C C    . LYS   A 126 ? 0.433027 0.567243 0.928981 -0.0212313  -0.0327466  -0.0155466  138 LYS   A C    
1876 O O    . LYS   A 126 ? 0.416034 0.541385 0.867917 -0.0197135  -0.0108579  -0.00879531 138 LYS   A O    
1877 C CB   . LYS   A 126 ? 0.407024 0.526699 0.963736 -0.058674   -0.0556199  0.00203628  138 LYS   A CB   
1878 H H    . LYS   A 126 ? 0.378731 0.441061 0.7929   -0.0167059  -0.0508864  -0.0187492  138 LYS   A H    
1879 H HA   . LYS   A 126 ? 0.419879 0.53018  0.947988 -0.0239616  -0.082875   -0.0315601  138 LYS   A HA   
1882 N N    . GLY   A 127 ? 0.481691 0.653319 1.02598  -0.0174074  -0.0322386  -0.0202979  139 GLY   A N    
1883 C CA   . GLY   A 127 ? 0.46012  0.662407 1.00741  -0.00645836 -0.00565472 -0.021522   139 GLY   A CA   
1884 C C    . GLY   A 127 ? 0.513534 0.741103 1.06272  -0.0230287  0.0297551   -0.0050531  139 GLY   A C    
1885 O O    . GLY   A 127 ? 0.550283 0.786807 1.12422  -0.0465633  0.0327728   0.0124778   139 GLY   A O    
1886 H H    . GLY   A 127 ? 0.468887 0.647749 1.04833  -0.0211526  -0.0502559  -0.024332   139 GLY   A H    
1887 H HA2  . GLY   A 127 ? 0.47174  0.654986 0.979771 0.00862892  -0.00505698 -0.0288121  139 GLY   A HA2  
1888 H HA3  . GLY   A 127 ? 0.473858 0.700999 1.06213  -0.00223395 -0.0121332  -0.026609   139 GLY   A HA3  
1889 N N    . GLU   A 128 ? 0.56955  0.805052 1.08788  -0.0103615  0.0549044   -0.0107639  140 GLU   A N    
1890 C CA   . GLU   A 128 ? 0.692945 0.965729 1.21388  -0.0193702  0.0912813   -0.0025244  140 GLU   A CA   
1891 C C    . GLU   A 128 ? 0.64926  0.978113 1.24516  -0.0326509  0.10058     0.00619114  140 GLU   A C    
1892 O O    . GLU   A 128 ? 0.667481 1.00943  1.31414  -0.0254306  0.0804316   -0.00254204 140 GLU   A O    
1893 C CB   . GLU   A 128 ? 0.738798 1.01124  1.22689  0.00270674  0.109602    -0.020602   140 GLU   A CB   
1894 O OXT  . GLU   A 128 ? 0.752467 1.11386  1.35427  -0.0504913  0.127608    0.0228525   140 GLU   A OXT  
1895 H H    . GLU   A 128 ? 0.574555 0.79087  1.06749  0.00513898  0.0485516   -0.0212882  140 GLU   A H    
1896 H HA   . GLU   A 128 ? 0.671871 0.93297  1.16641  -0.0322118  0.0970883   0.00988584  140 GLU   A HA   
1899 N N    . GLY   B 1   ? 0.481622 0.639907 0.727898 -0.142137   -0.0589278  -0.0921238  13  GLY   B N    
1900 C CA   . GLY   B 1   ? 0.445464 0.55108  0.668527 -0.143711   -0.0535027  -0.0933316  13  GLY   B CA   
1901 C C    . GLY   B 1   ? 0.501015 0.587122 0.679215 -0.120006   -0.0483995  -0.0871407  13  GLY   B C    
1902 O O    . GLY   B 1   ? 0.428223 0.533452 0.585864 -0.103774   -0.0539861  -0.0885542  13  GLY   B O    
1903 H H1   . GLY   B 1   ? 0.473914 0.646304 0.751275 -0.157707   -0.0603043  -0.0950914  13  GLY   B H1   
1904 H H2   . GLY   B 1   ? 0.450225 0.616301 0.691855 -0.133463   -0.0490361  -0.0783861  13  GLY   B H2   
1905 H H3   . GLY   B 1   ? 0.46661  0.63648  0.701241 -0.13367    -0.0709972  -0.102422   13  GLY   B H3   
1906 H HA2  . GLY   B 1   ? 0.490538 0.586509 0.715909 -0.151101   -0.0644139  -0.109827   13  GLY   B HA2  
1907 H HA3  . GLY   B 1   ? 0.475766 0.567492 0.711392 -0.153314   -0.0422487  -0.0822718  13  GLY   B HA3  
1908 N N    . ALA   B 2   ? 0.454049 0.500274 0.618132 -0.118555   -0.0386299  -0.0809998  14  ALA   B N    
1909 C CA   . ALA   B 2   ? 0.435745 0.463578 0.564505 -0.0997743  -0.0347701  -0.079273   14  ALA   B CA   
1910 C C    . ALA   B 2   ? 0.415661 0.46477  0.529446 -0.0847537  -0.0289516  -0.0652382  14  ALA   B C    
1911 O O    . ALA   B 2   ? 0.392867 0.441651 0.480123 -0.0711217  -0.0306898  -0.0685087  14  ALA   B O    
1912 C CB   . ALA   B 2   ? 0.472907 0.461959 0.598885 -0.100739   -0.0259601  -0.0725064  14  ALA   B CB   
1913 H H    . ALA   B 2   ? 0.475512 0.506257 0.653574 -0.129567   -0.0343873  -0.0776862  14  ALA   B H    
1914 H HA   . ALA   B 2   ? 0.45234  0.478418 0.569073 -0.0963307  -0.0427695  -0.0934618  14  ALA   B HA   
1915 H HB1  . ALA   B 2   ? 0.484358 0.45644  0.615404 -0.107341   -0.0307904  -0.0838652  14  ALA   B HB1  
1916 H HB2  . ALA   B 2   ? 0.46348  0.451526 0.600434 -0.106123   -0.0189928  -0.059389   14  ALA   B HB2  
1917 H HB3  . ALA   B 2   ? 0.45586  0.437378 0.563553 -0.0887289  -0.0226477  -0.0701402  14  ALA   B HB3  
1918 N N    . PRO   B 3   ? 0.391472 0.45347  0.51695  -0.0853387  -0.0193924  -0.0482697  15  PRO   B N    
1919 C CA   . PRO   B 3   ? 0.374808 0.450409 0.482747 -0.0692933  -0.0145348  -0.0376492  15  PRO   B CA   
1920 C C    . PRO   B 3   ? 0.358919 0.460936 0.459266 -0.0594585  -0.0249092  -0.0446817  15  PRO   B C    
1921 O O    . PRO   B 3   ? 0.366233 0.461223 0.438388 -0.0452836  -0.024662   -0.0426815  15  PRO   B O    
1922 C CB   . PRO   B 3   ? 0.385162 0.473435 0.510888 -0.0735199  -0.00313032 -0.0222928  15  PRO   B CB   
1923 C CG   . PRO   B 3   ? 0.461631 0.524533 0.599765 -0.0886206  0.00219051  -0.018964   15  PRO   B CG   
1924 C CD   . PRO   B 3   ? 0.441584 0.499132 0.591856 -0.100035   -0.010333   -0.0374503  15  PRO   B CD   
1925 H HA   . PRO   B 3   ? 0.371518 0.428896 0.461078 -0.0621625  -0.0109511  -0.0349823  15  PRO   B HA   
1926 H HB2  . PRO   B 3   ? 0.392953 0.507638 0.536343 -0.0764037  -0.00540798 -0.0237182  15  PRO   B HB2  
1927 H HB3  . PRO   B 3   ? 0.387162 0.471225 0.497743 -0.0635542  0.00291301  -0.013868   15  PRO   B HB3  
1928 H HG2  . PRO   B 3   ? 0.443217 0.515907 0.597321 -0.0960831  0.00954008  -0.0104975  15  PRO   B HG2  
1929 H HG3  . PRO   B 3   ? 0.439873 0.479721 0.561412 -0.0829652  0.00570105  -0.0142999  15  PRO   B HG3  
1930 H HD2  . PRO   B 3   ? 0.443603 0.521155 0.616765 -0.110332   -0.0135079  -0.0412042  15  PRO   B HD2  
1931 H HD3  . PRO   B 3   ? 0.451366 0.48253  0.600204 -0.104972   -0.00910436 -0.0384157  15  PRO   B HD3  
1932 N N    . ALA   B 4   ? 0.340255 0.470087 0.465736 -0.0679129  -0.035205   -0.0536967  16  ALA   B N    
1933 C CA   . ALA   B 4   ? 0.402711 0.560217 0.523373 -0.0577845  -0.0491117  -0.0612961  16  ALA   B CA   
1934 C C    . ALA   B 4   ? 0.399298 0.535817 0.484454 -0.0509063  -0.0575544  -0.0729979  16  ALA   B C    
1935 O O    . ALA   B 4   ? 0.371542 0.511722 0.429499 -0.0352295  -0.0621116  -0.0711423  16  ALA   B O    
1936 C CB   . ALA   B 4   ? 0.406385 0.601001 0.567971 -0.0707203  -0.0604053  -0.071023   16  ALA   B CB   
1937 H H    . ALA   B 4   ? 0.364225 0.495788 0.511554 -0.0807426  -0.0341121  -0.0550726  16  ALA   B H    
1938 H HA   . ALA   B 4   ? 0.378316 0.543118 0.490404 -0.0458015  -0.0449906  -0.052056   16  ALA   B HA   
1939 H HB1  . ALA   B 4   ? 0.399073 0.608225 0.583112 -0.0750488  -0.0519651  -0.0624284  16  ALA   B HB1  
1940 H HB2  . ALA   B 4   ? 0.418406 0.602871 0.588421 -0.0835012  -0.0647866  -0.0808828  16  ALA   B HB2  
1941 H HB3  . ALA   B 4   ? 0.412034 0.626324 0.56942  -0.061817   -0.0718278  -0.0763997  16  ALA   B HB3  
1942 N N    . THR   B 5   ? 0.386058 0.498688 0.469447 -0.0614885  -0.0582533  -0.0844471  17  THR   B N    
1943 C CA   . THR   B 5   ? 0.348155 0.443104 0.397583 -0.0542901  -0.0630277  -0.0965736  17  THR   B CA   
1944 C C    . THR   B 5   ? 0.36306  0.43988  0.381398 -0.0406254  -0.0497565  -0.0840917  17  THR   B C    
1945 O O    . THR   B 5   ? 0.397462 0.469127 0.38315  -0.030337   -0.0510641  -0.0871172  17  THR   B O    
1946 C CB   . THR   B 5   ? 0.418821 0.490657 0.475455 -0.0665635  -0.0647248  -0.112334   17  THR   B CB   
1947 O OG1  . THR   B 5   ? 0.47645  0.568785 0.562047 -0.0801856  -0.079354   -0.124477   17  THR   B OG1  
1948 C CG2  . THR   B 5   ? 0.453587 0.507823 0.474533 -0.0579529  -0.0666055  -0.126829   17  THR   B CG2  
1949 H H    . THR   B 5   ? 0.378139 0.484672 0.480921 -0.0727052  -0.0549238  -0.0845379  17  THR   B H    
1950 H HA   . THR   B 5   ? 0.384289 0.494943 0.426114 -0.0498391  -0.0742932  -0.10332    17  THR   B HA   
1951 H HB   . THR   B 5   ? 0.410258 0.467022 0.477398 -0.0710187  -0.05531    -0.105243   17  THR   B HB   
1953 H HG21 . THR   B 5   ? 0.465712 0.508557 0.493156 -0.0652064  -0.0708623  -0.14013    17  THR   B HG21 
1954 H HG22 . THR   B 5   ? 0.459762 0.527079 0.463829 -0.0512039  -0.0744954  -0.130465   17  THR   B HG22 
1955 H HG23 . THR   B 5   ? 0.441893 0.48305  0.449886 -0.0515272  -0.055414   -0.119454   17  THR   B HG23 
1956 N N    . VAL   B 6   ? 0.36083  0.425519 0.388407 -0.0419271  -0.0365974  -0.0708567  18  VAL   B N    
1957 C CA   . VAL   B 6   ? 0.338304 0.387458 0.342388 -0.031915   -0.0255994  -0.0612726  18  VAL   B CA   
1958 C C    . VAL   B 6   ? 0.38476  0.445754 0.373086 -0.0201283  -0.0268901  -0.0512079  18  VAL   B C    
1959 O O    . VAL   B 6   ? 0.365964 0.415612 0.325667 -0.0116429  -0.0229133  -0.0479689  18  VAL   B O    
1960 C CB   . VAL   B 6   ? 0.331365 0.365895 0.347234 -0.0346636  -0.0149999  -0.0515139  18  VAL   B CB   
1961 C CG1  . VAL   B 6   ? 0.33777  0.361591 0.332871 -0.0258485  -0.00672655 -0.0443389  18  VAL   B CG1  
1962 C CG2  . VAL   B 6   ? 0.396779 0.414334 0.425471 -0.0427624  -0.0145449  -0.0602363  18  VAL   B CG2  
1963 H H    . VAL   B 6   ? 0.348106 0.413941 0.396147 -0.0494832  -0.0346993  -0.0679525  18  VAL   B H    
1964 H HA   . VAL   B 6   ? 0.362383 0.402139 0.351268 -0.0300698  -0.0247877  -0.0683948  18  VAL   B HA   
1965 H HB   . VAL   B 6   ? 0.334205 0.377695 0.362454 -0.0362683  -0.0144711  -0.0442842  18  VAL   B HB   
1966 H HG11 . VAL   B 6   ? 0.344406 0.36525  0.324734 -0.023342   -0.00649299 -0.0497653  18  VAL   B HG11 
1967 H HG12 . VAL   B 6   ? 0.330424 0.359897 0.3213   -0.0212399  -0.00617951 -0.0366251  18  VAL   B HG12 
1968 H HG13 . VAL   B 6   ? 0.32914  0.343    0.329932 -0.0272258  -0.00213114 -0.0422756  18  VAL   B HG13 
1969 H HG21 . VAL   B 6   ? 0.371704 0.380054 0.405673 -0.0426297  -0.00933387 -0.0530662  18  VAL   B HG21 
1970 H HG22 . VAL   B 6   ? 0.38441  0.406582 0.426945 -0.0502013  -0.0198527  -0.0648646  18  VAL   B HG22 
1971 H HG23 . VAL   B 6   ? 0.386863 0.397462 0.404174 -0.0400275  -0.0142093  -0.0685606  18  VAL   B HG23 
1972 N N    . THR   B 7   ? 0.367833 0.450483 0.374782 -0.018871   -0.0310489  -0.0455446  19  THR   B N    
1973 C CA   . THR   B 7   ? 0.398912 0.492179 0.391567 -0.00407839 -0.0341588  -0.0374957  19  THR   B CA   
1974 C C    . THR   B 7   ? 0.430319 0.523607 0.393888 0.00453484  -0.0446864  -0.0437716  19  THR   B C    
1975 O O    . THR   B 7   ? 0.41977  0.49817  0.352346 0.0164372   -0.0415663  -0.0355266  19  THR   B O    
1976 C CB   . THR   B 7   ? 0.364717 0.489887 0.387441 -0.00279703 -0.0385334  -0.0346037  19  THR   B CB   
1977 O OG1  . THR   B 7   ? 0.361122 0.479216 0.397893 -0.00813668 -0.0252174  -0.0259301  19  THR   B OG1  
1978 C CG2  . THR   B 7   ? 0.38128  0.519473 0.391832 0.0163224   -0.0441289  -0.0282306  19  THR   B CG2  
1979 H H    . THR   B 7   ? 0.369217 0.459776 0.398306 -0.0266953  -0.0312491  -0.0463686  19  THR   B H    
1980 H HA   . THR   B 7   ? 0.386064 0.464614 0.366795 0.00058896  -0.0260345  -0.0295957  19  THR   B HA   
1981 H HB   . THR   B 7   ? 0.375327 0.51637  0.416402 -0.0108639  -0.0460614  -0.0429558  19  THR   B HB   
1983 H HG21 . THR   B 7   ? 0.371105 0.527509 0.402079 0.0181967   -0.0420595  -0.0247909  19  THR   B HG21 
1984 H HG22 . THR   B 7   ? 0.383715 0.500542 0.37079  0.0235753   -0.0384342  -0.0218215  19  THR   B HG22 
1985 H HG23 . THR   B 7   ? 0.39226  0.541394 0.397717 0.02007     -0.0555772  -0.0341935  19  THR   B HG23 
1986 N N    . GLU   B 8   ? 0.413831 0.52037  0.384645 -0.00185894 -0.0569337  -0.058213   20  GLU   B N    
1987 C CA   . GLU   B 8   ? 0.429269 0.540778 0.370713 0.00776297  -0.0707412  -0.0658664  20  GLU   B CA   
1988 C C    . GLU   B 8   ? 0.476173 0.558402 0.377573 0.00975116  -0.0616459  -0.0677912  20  GLU   B C    
1989 O O    . GLU   B 8   ? 0.482687 0.558377 0.34486  0.0219799   -0.0655603  -0.0653198  20  GLU   B O    
1990 C CB   . GLU   B 8   ? 0.503708 0.641409 0.469541 -0.00127805 -0.0890411  -0.0839632  20  GLU   B CB   
1991 C CG   . GLU   B 8   ? 0.549161 0.723905 0.559018 -0.0032567  -0.0964996  -0.0811969  20  GLU   B CG   
1992 C CD   . GLU   B 8   ? 0.664357 0.868134 0.710223 -0.0179996  -0.113733   -0.0999262  20  GLU   B CD   
1993 O OE1  . GLU   B 8   ? 0.806562 1.00224  0.832321 -0.0205287  -0.125929   -0.116702   20  GLU   B OE1  
1994 O OE2  . GLU   B 8   ? 0.644357 0.877537 0.737971 -0.02826    -0.113832   -0.0988074  20  GLU   B OE2  
1995 H H    . GLU   B 8   ? 0.410766 0.522099 0.404045 -0.0125945  -0.0574387  -0.0639835  20  GLU   B H    
1996 H HA   . GLU   B 8   ? 0.454273 0.572221 0.386216 0.0196598   -0.074324   -0.0578265  20  GLU   B HA   
1997 H HB2  . GLU   B 8   ? 0.496565 0.624795 0.472958 -0.0130592  -0.0854355  -0.091818   20  GLU   B HB2  
1998 H HB3  . GLU   B 8   ? 0.524634 0.664758 0.467211 0.00589853  -0.0996475  -0.0904279  20  GLU   B HB3  
1999 H HG2  . GLU   B 8   ? 0.56198  0.747128 0.561329 0.01075     -0.101829   -0.0750508  20  GLU   B HG2  
2000 H HG3  . GLU   B 8   ? 0.533329 0.703852 0.560057 -0.00840562 -0.0842917  -0.0729256  20  GLU   B HG3  
2001 N N    . GLN   B 9   ? 0.471081 0.536951 0.381103 -0.00143111 -0.0498604  -0.0732006  21  GLN   B N    
2002 C CA   . GLN   B 9   ? 0.464228 0.512433 0.344508 -0.00073034 -0.0431366  -0.0818368  21  GLN   B CA   
2003 C C    . GLN   B 9   ? 0.431719 0.460186 0.311157 -0.00334149 -0.022771   -0.0736927  21  GLN   B C    
2004 O O    . GLN   B 9   ? 0.474079 0.49124  0.3314   -0.00202329 -0.0130459  -0.0789967  21  GLN   B O    
2005 C CB   . GLN   B 9   ? 0.484565 0.532573 0.375756 -0.00978294 -0.0496593  -0.103236   21  GLN   B CB   
2006 C CG   . GLN   B 9   ? 0.510308 0.579058 0.406372 -0.0108074  -0.0721781  -0.116966   21  GLN   B CG   
2007 C CD   . GLN   B 9   ? 0.545123 0.608044 0.450948 -0.0210923  -0.0797423  -0.140601   21  GLN   B CD   
2008 O OE1  . GLN   B 9   ? 0.579142 0.620846 0.482487 -0.024066   -0.0679597  -0.147699   21  GLN   B OE1  
2009 N NE2  . GLN   B 9   ? 0.551911 0.6346   0.473745 -0.026746   -0.100408   -0.153886   21  GLN   B NE2  
2010 H H    . GLN   B 9   ? 0.443011 0.509696 0.377631 -0.00858722 -0.0460027  -0.071727   21  GLN   B H    
2011 H HA   . GLN   B 9   ? 0.490829 0.538176 0.341766 0.00802721  -0.0464643  -0.0800381  21  GLN   B HA   
2012 H HB2  . GLN   B 9   ? 0.465442 0.510033 0.382909 -0.017743   -0.0455771  -0.103464   21  GLN   B HB2  
2013 H HB3  . GLN   B 9   ? 0.501038 0.537762 0.370116 -0.00700226 -0.0431496  -0.10881    21  GLN   B HB3  
2014 H HG2  . GLN   B 9   ? 0.533828 0.60576  0.401019 -0.00101331 -0.0778316  -0.116336   21  GLN   B HG2  
2015 H HG3  . GLN   B 9   ? 0.495565 0.579083 0.417294 -0.0140064  -0.077247   -0.111528   21  GLN   B HG3  
2016 H HE21 . GLN   B 9   ? 0.553194 0.634574 0.498075 -0.037511   -0.104504   -0.163617   21  GLN   B HE21 
2017 H HE22 . GLN   B 9   ? 0.563889 0.661292 0.474445 -0.0199633  -0.1108     -0.153313   21  GLN   B HE22 
2018 N N    . GLY   B 10  ? 0.410496 0.437793 0.316086 -0.00731788 -0.0169335  -0.0632023  22  GLY   B N    
2019 C CA   . GLY   B 10  ? 0.390601 0.403416 0.301119 -0.0104453  -0.0016067  -0.058432   22  GLY   B CA   
2020 C C    . GLY   B 10  ? 0.366922 0.367855 0.250201 -0.00525883 0.00965116  -0.0470317  22  GLY   B C    
2021 O O    . GLY   B 10  ? 0.384635 0.383356 0.247684 0.00237714  0.00599825  -0.0368806  22  GLY   B O    
2022 H H    . GLY   B 10  ? 0.396967 0.433977 0.317391 -0.00765869 -0.0226891  -0.0594909  22  GLY   B H    
2023 H HA2  . GLY   B 10  ? 0.38836  0.397843 0.301754 -0.0133644  0.00119702  -0.068033   22  GLY   B HA2  
2024 H HA3  . GLY   B 10  ? 0.365056 0.37883  0.29534  -0.0133108  -0.00133812 -0.0535586  22  GLY   B HA3  
2025 N N    . GLU   B 11  ? 0.38841  0.381458 0.275327 -0.00967902 0.0234803   -0.0486853  23  GLU   B N    
2026 C CA   . GLU   B 11  ? 0.42745  0.408648 0.298421 -0.0102276  0.0374888   -0.0382416  23  GLU   B CA   
2027 C C    . GLU   B 11  ? 0.379742 0.355262 0.268277 -0.0124998  0.0374408   -0.0281851  23  GLU   B C    
2028 O O    . GLU   B 11  ? 0.372865 0.353798 0.289268 -0.0157514  0.0340538   -0.0314574  23  GLU   B O    
2029 C CB   . GLU   B 11  ? 0.443906 0.427376 0.321751 -0.0150539  0.0518264   -0.0472992  23  GLU   B CB   
2030 C CG   . GLU   B 11  ? 0.56416  0.538871 0.433316 -0.0200216  0.0690968   -0.0372881  23  GLU   B CG   
2031 C CD   . GLU   B 11  ? 0.667897 0.652736 0.551243 -0.0247869  0.0854037   -0.046639   23  GLU   B CD   
2032 O OE1  . GLU   B 11  ? 0.656663 0.65179  0.552476 -0.0213475  0.0823826   -0.0612208  23  GLU   B OE1  
2033 O OE2  . GLU   B 11  ? 0.680728 0.662786 0.564659 -0.0319845  0.101063    -0.0395124  23  GLU   B OE2  
2034 H H    . GLU   B 11  ? 0.382352 0.377832 0.284223 -0.0127746  0.0242262   -0.0568364  23  GLU   B H    
2035 H HA   . GLU   B 11  ? 0.44033  0.416135 0.285154 -0.00555561 0.0373342   -0.0330778  23  GLU   B HA   
2036 H HB2  . GLU   B 11  ? 0.479935 0.465875 0.343421 -0.0122933  0.0518868   -0.0550177  23  GLU   B HB2  
2037 H HB3  . GLU   B 11  ? 0.444166 0.432661 0.347291 -0.0174686  0.0497316   -0.052577   23  GLU   B HB3  
2038 H HG2  . GLU   B 11  ? 0.54145  0.512339 0.424008 -0.0228733  0.0673447   -0.0312842  23  GLU   B HG2  
2039 H HG3  . GLU   B 11  ? 0.579606 0.545487 0.420405 -0.0172105  0.0718614   -0.0304456  23  GLU   B HG3  
2040 N N    . ASP   B 12  ? 0.407044 0.367591 0.275923 -0.0103419  0.0419188   -0.0160172  24  ASP   B N    
2041 C CA   . ASP   B 12  ? 0.371048 0.320943 0.251125 -0.0125708  0.0430122   -0.00879669 24  ASP   B CA   
2042 C C    . ASP   B 12  ? 0.407969 0.35443  0.301784 -0.0235346  0.0557193   -0.0109711  24  ASP   B C    
2043 O O    . ASP   B 12  ? 0.446449 0.383203 0.324185 -0.0284359  0.0689021   -0.00662059 24  ASP   B O    
2044 C CB   . ASP   B 12  ? 0.410035 0.340699 0.262236 -0.00486779 0.0420244   0.00347506  24  ASP   B CB   
2045 C CG   . ASP   B 12  ? 0.41825  0.333418 0.277179 -0.00497867 0.0415069   0.00870901  24  ASP   B CG   
2046 O OD1  . ASP   B 12  ? 0.402962 0.323657 0.286627 -0.0126137  0.0422767   0.00276155  24  ASP   B OD1  
2047 O OD2  . ASP   B 12  ? 0.458523 0.35428  0.296192 0.00352296  0.0397951   0.0177775   24  ASP   B OD2  
2048 H H    . ASP   B 12  ? 0.420577 0.374929 0.265947 -0.00686689 0.0440005   -0.0122926  24  ASP   B H    
2049 H HA   . ASP   B 12  ? 0.366475 0.324168 0.263166 -0.0113935  0.0359041   -0.0112957  24  ASP   B HA   
2050 H HB2  . ASP   B 12  ? 0.410447 0.348159 0.25629  0.00322136  0.0332867   0.00380493  24  ASP   B HB2  
2051 H HB3  . ASP   B 12  ? 0.432554 0.352262 0.265933 -0.00661365 0.0501324   0.00772266  24  ASP   B HB3  
2052 N N    . ILE   B 13  ? 0.381937 0.33892  0.306284 -0.0272934  0.0521115   -0.0178729  25  ILE   B N    
2053 C CA   . ILE   B 13  ? 0.366578 0.328493 0.312323 -0.0366955  0.0610801   -0.0225952  25  ILE   B CA   
2054 C C    . ILE   B 13  ? 0.393013 0.3426   0.34592  -0.0417205  0.0587923   -0.0186619  25  ILE   B C    
2055 O O    . ILE   B 13  ? 0.419837 0.378655 0.398937 -0.0497449  0.0610411   -0.0249515  25  ILE   B O    
2056 C CB   . ILE   B 13  ? 0.357001 0.338013 0.330711 -0.0354669  0.0573683   -0.0340745  25  ILE   B CB   
2057 C CG1  . ILE   B 13  ? 0.357862 0.339408 0.342164 -0.029817   0.0426723   -0.0340122  25  ILE   B CG1  
2058 C CG2  . ILE   B 13  ? 0.369176 0.358005 0.333753 -0.0321781  0.0627043   -0.0412607  25  ILE   B CG2  
2059 C CD1  . ILE   B 13  ? 0.400105 0.393259 0.410889 -0.0277782  0.0384806   -0.0427889  25  ILE   B CD1  
2060 H H    . ILE   B 13  ? 0.365404 0.327383 0.297773 -0.0237159  0.0438283   -0.0193458  25  ILE   B H    
2061 H HA   . ILE   B 13  ? 0.392091 0.352219 0.328371 -0.0403743  0.071681    -0.0213428  25  ILE   B HA   
2062 H HB   . ILE   B 13  ? 0.358298 0.345612 0.349056 -0.0404244  0.062007    -0.0373991  25  ILE   B HB   
2063 H HG12 . ILE   B 13  ? 0.364622 0.344341 0.337852 -0.0259849  0.0386844   -0.0319593  25  ILE   B HG12 
2064 H HG13 . ILE   B 13  ? 0.363737 0.338776 0.347412 -0.0306079  0.0397232   -0.0299552  25  ILE   B HG13 
2065 H HG21 . ILE   B 13  ? 0.360634 0.358745 0.343402 -0.0308953  0.0616503   -0.0491653  25  ILE   B HG21 
2066 H HG22 . ILE   B 13  ? 0.369975 0.355151 0.321031 -0.0278804  0.056091    -0.0397572  25  ILE   B HG22 
2067 H HG23 . ILE   B 13  ? 0.384753 0.372425 0.338278 -0.0352623  0.0736168   -0.0398907  25  ILE   B HG23 
2068 H HD11 . ILE   B 13  ? 0.382802 0.382533 0.407419 -0.0308605  0.0424343   -0.046324   25  ILE   B HD11 
2069 H HD12 . ILE   B 13  ? 0.375165 0.365488 0.389574 -0.0248019  0.0302816   -0.0403477  25  ILE   B HD12 
2070 H HD13 . ILE   B 13  ? 0.38458  0.380918 0.394638 -0.0257413  0.0398784   -0.0475362  25  ILE   B HD13 
2071 N N    . THR   B 14  ? 0.373794 0.303991 0.305897 -0.0365023  0.0535981   -0.0104442  26  THR   B N    
2072 C CA   . THR   B 14  ? 0.389029 0.302794 0.32398  -0.0402386  0.0504603   -0.00948303 26  THR   B CA   
2073 C C    . THR   B 14  ? 0.453152 0.347428 0.38051  -0.0521831  0.0631781   -0.00466977 26  THR   B C    
2074 O O    . THR   B 14  ? 0.470733 0.355248 0.375569 -0.0518544  0.073074    0.00352109  26  THR   B O    
2075 C CB   . THR   B 14  ? 0.425425 0.324769 0.34223  -0.0278921  0.04085     -0.0046593  26  THR   B CB   
2076 O OG1  . THR   B 14  ? 0.397296 0.283224 0.286714 -0.0207562  0.0444433   0.00471711  26  THR   B OG1  
2077 C CG2  . THR   B 14  ? 0.463177 0.382324 0.390038 -0.0192815  0.0315056   -0.00780292 26  THR   B CG2  
2078 H H    . THR   B 14  ? 0.387054 0.314382 0.303263 -0.0297727  0.0513285   -0.00649171 26  THR   B H    
2079 H HA   . THR   B 14  ? 0.387    0.311749 0.342211 -0.0432645  0.0463898   -0.0161165  26  THR   B HA   
2080 H HB   . THR   B 14  ? 0.429331 0.315328 0.345941 -0.030174   0.0389692   -0.00587576 26  THR   B HB   
2082 H HG21 . THR   B 14  ? 0.446034 0.359464 0.362806 -0.0114291  0.0277198   -0.00472957 26  THR   B HG21 
2083 H HG22 . THR   B 14  ? 0.435171 0.365605 0.363415 -0.0182996  0.0326102   -0.00788667 26  THR   B HG22 
2084 H HG23 . THR   B 14  ? 0.432719 0.358554 0.374504 -0.0224367  0.0283496   -0.0128819  26  THR   B HG23 
2085 N N    . SER   B 15  ? 0.428022 0.314073 0.371617 -0.0630407  0.0624248   -0.00925871 27  SER   B N    
2086 C CA   . SER   B 15  ? 0.47686  0.340126 0.415425 -0.0778764  0.075631    -0.00382669 27  SER   B CA   
2087 C C    . SER   B 15  ? 0.493542 0.316728 0.392926 -0.0694749  0.0755352   0.00840371  27  SER   B C    
2088 O O    . SER   B 15  ? 0.537655 0.335829 0.416713 -0.0759592  0.0887338   0.0195102   27  SER   B O    
2089 C CB   . SER   B 15  ? 0.515286 0.378749 0.483693 -0.0931065  0.0720055   -0.0139865  27  SER   B CB   
2090 O OG   . SER   B 15  ? 0.556736 0.459679 0.562954 -0.0981515  0.0714955   -0.024806   27  SER   B OG   
2091 H H    . SER   B 15  ? 0.425438 0.319195 0.382793 -0.0617853  0.0534823   -0.0157938  27  SER   B H    
2092 H HA   . SER   B 15  ? 0.481618 0.353946 0.42164  -0.083212   0.0873592   -0.00128972 27  SER   B HA   
2093 H HB2  . SER   B 15  ? 0.519956 0.374308 0.484087 -0.0869421  0.0600778   -0.0177062  27  SER   B HB2  
2094 H HB3  . SER   B 15  ? 0.547737 0.393631 0.513496 -0.104836   0.0815976   -0.00982    27  SER   B HB3  
2096 N N    . LYS   B 16  ? 0.481919 0.298142 0.371572 -0.054425   0.0609987   0.00622994  28  LYS   B N    
2097 C CA   . LYS   B 16  ? 0.555745 0.336009 0.411577 -0.0421149  0.059152    0.0158409   28  LYS   B CA   
2098 C C    . LYS   B 16  ? 0.529549 0.313205 0.359356 -0.0264365  0.060096    0.0268308   28  LYS   B C    
2099 O O    . LYS   B 16  ? 0.534248 0.287506 0.334599 -0.0154464  0.0598985   0.0369772   28  LYS   B O    
2100 C CB   . LYS   B 16  ? 0.571704 0.3473   0.426343 -0.02898    0.045151    0.00841169  28  LYS   B CB   
2101 C CG   . LYS   B 16  ? 0.739953 0.494921 0.603803 -0.0396856  0.0410023   -0.00167891 28  LYS   B CG   
2102 C CD   . LYS   B 16  ? 0.915737 0.646668 0.757854 -0.021659   0.0317562   -0.00454377 28  LYS   B CD   
2103 C CE   . LYS   B 16  ? 1.10024  0.813096 0.94807  -0.0289112  0.0235343   -0.0189441  28  LYS   B CE   
2104 N NZ   . LYS   B 16  ? 1.09517  0.845861 0.971004 -0.0363102  0.0161391   -0.0298126  28  LYS   B NZ   
2105 H H    . LYS   B 16  ? 0.469394 0.3029   0.372889 -0.05091    0.0528513   -0.00093405 28  LYS   B H    
2106 H HA   . LYS   B 16  ? 0.575675 0.330203 0.424654 -0.0514295  0.0660552   0.0197908   28  LYS   B HA   
2107 H HB2  . LYS   B 16  ? 0.567319 0.369457 0.434324 -0.0245164  0.0398555   0.00374454  28  LYS   B HB2  
2108 H HB3  . LYS   B 16  ? 0.613515 0.373852 0.447524 -0.0161005  0.0435327   0.0144809   28  LYS   B HB3  
2109 H HG2  . LYS   B 16  ? 0.751377 0.486059 0.613435 -0.0516625  0.0484488   0.00155349  28  LYS   B HG2  
2110 H HG3  . LYS   B 16  ? 0.710833 0.488134 0.596154 -0.0457545  0.0367657   -0.0101837  28  LYS   B HG3  
2111 H HD2  . LYS   B 16  ? 0.885239 0.63741  0.727702 -0.00954056 0.0273413   -0.00506023 28  LYS   B HD2  
2112 H HD3  . LYS   B 16  ? 0.933006 0.63868  0.75498  -0.0154471  0.0355064   0.00354467  28  LYS   B HD3  
2113 H HE2  . LYS   B 16  ? 1.07772  0.776877 0.909416 -0.0151572  0.0184816   -0.0216355  28  LYS   B HE2  
2114 H HE3  . LYS   B 16  ? 1.09055  0.78018  0.939353 -0.0419824  0.0276916   -0.0189205  28  LYS   B HE3  
2115 H HZ1  . LYS   B 16  ? 1.05142  0.825075 0.929736 -0.0285623  0.0158963   -0.0265518  28  LYS   B HZ1  
2116 H HZ2  . LYS   B 16  ? 1.07572  0.832835 0.968935 -0.0508921  0.0194644   -0.0313381  28  LYS   B HZ2  
2117 H HZ3  . LYS   B 16  ? 1.09055  0.834877 0.963697 -0.033621   0.00805875  -0.0387262  28  LYS   B HZ3  
2118 N N    . LYS   B 17  ? 0.541841 0.358341 0.380578 -0.0255348  0.0607631   0.0245692   29  LYS   B N    
2119 C CA   . LYS   B 17  ? 0.503305 0.327994 0.320252 -0.0117072  0.0580987   0.0311327   29  LYS   B CA   
2120 C C    . LYS   B 17  ? 0.52169  0.346117 0.330151 0.00816195  0.0447598   0.0326615   29  LYS   B C    
2121 O O    . LYS   B 17  ? 0.539945 0.35067  0.321723 0.0226389   0.0414974   0.0419239   29  LYS   B O    
2122 C CB   . LYS   B 17  ? 0.567111 0.367331 0.351387 -0.0138453  0.0700942   0.0440483   29  LYS   B CB   
2123 C CG   . LYS   B 17  ? 0.602119 0.416295 0.398734 -0.0316978  0.0857175   0.0407947   29  LYS   B CG   
2124 C CD   . LYS   B 17  ? 0.645576 0.496549 0.452657 -0.0290112  0.0836421   0.0312565   29  LYS   B CD   
2125 C CE   . LYS   B 17  ? 0.79087  0.655738 0.606796 -0.0429241  0.101706    0.0273115   29  LYS   B CE   
2126 N NZ   . LYS   B 17  ? 0.778842 0.669144 0.64123  -0.0521071  0.0996458   0.0132202   29  LYS   B NZ   
2127 H H    . LYS   B 17  ? 0.501554 0.336634 0.361598 -0.0335147  0.0618065   0.0174468   29  LYS   B H    
2128 H HA   . LYS   B 17  ? 0.496942 0.346828 0.327574 -0.0136505  0.0570243   0.0250954   29  LYS   B HA   
2129 H HB2  . LYS   B 17  ? 0.597217 0.368074 0.369059 -0.0149134  0.0731996   0.0506269   29  LYS   B HB2  
2130 H HB3  . LYS   B 17  ? 0.57755  0.381722 0.343898 -0.0020054  0.0651326   0.0480627   29  LYS   B HB3  
2131 H HG2  . LYS   B 17  ? 0.596533 0.413211 0.416735 -0.0428043  0.0883177   0.0350263   29  LYS   B HG2  
2132 H HG3  . LYS   B 17  ? 0.641973 0.436097 0.416025 -0.0348197  0.0960841   0.0506264   29  LYS   B HG3  
2133 H HD2  . LYS   B 17  ? 0.665384 0.515649 0.450573 -0.0179661  0.0783562   0.0351074   29  LYS   B HD2  
2134 H HD3  . LYS   B 17  ? 0.6243   0.492366 0.454331 -0.0275533  0.074758    0.0226811   29  LYS   B HD3  
2135 H HE2  . LYS   B 17  ? 0.790256 0.636913 0.594665 -0.0507474  0.113995    0.0355244   29  LYS   B HE2  
2136 H HE3  . LYS   B 17  ? 0.76507  0.64064  0.568303 -0.0371477  0.101827    0.0253083   29  LYS   B HE3  
2137 H HZ1  . LYS   B 17  ? 0.764708 0.646214 0.637452 -0.0558355  0.0962459   0.0135923   29  LYS   B HZ1  
2138 H HZ2  . LYS   B 17  ? 0.746891 0.652322 0.617723 -0.0454832  0.0903196   0.00666014  29  LYS   B HZ2  
2139 H HZ3  . LYS   B 17  ? 0.773439 0.67296  0.645435 -0.0601724  0.110911    0.0105136   29  LYS   B HZ3  
2140 N N    . ASP   B 18  ? 0.502956 0.344793 0.334795 0.00956379  0.0376196   0.0236028   30  ASP   B N    
2141 C CA   . ASP   B 18  ? 0.473577 0.321647 0.303204 0.0271732   0.028441    0.02372     30  ASP   B CA   
2142 C C    . ASP   B 18  ? 0.43168  0.319688 0.280929 0.0305069   0.0223441   0.0190926   30  ASP   B C    
2143 O O    . ASP   B 18  ? 0.430589 0.33284  0.288526 0.0410061   0.0173493   0.0174457   30  ASP   B O    
2144 C CB   . ASP   B 18  ? 0.492447 0.327248 0.327472 0.0284194   0.0264354   0.0178555   30  ASP   B CB   
2145 C CG   . ASP   B 18  ? 0.486444 0.336399 0.345176 0.0152603   0.0257572   0.00828271  30  ASP   B CG   
2146 O OD1  . ASP   B 18  ? 0.420366 0.297394 0.296523 0.00870885  0.0258913   0.00600236  30  ASP   B OD1  
2147 O OD2  . ASP   B 18  ? 0.456678 0.290265 0.315294 0.0127953   0.023589    0.0021957   30  ASP   B OD2  
2148 H H    . ASP   B 18  ? 0.477926 0.329072 0.327146 7.983e-05   0.0389828   0.0175063   30  ASP   B H    
2149 H HA   . ASP   B 18  ? 0.503412 0.337564 0.314136 0.0373044   0.0273684   0.0304199   30  ASP   B HA   
2150 H HB2  . ASP   B 18  ? 0.490899 0.332716 0.324446 0.0411296   0.0223295   0.0178016   30  ASP   B HB2  
2151 H HB3  . ASP   B 18  ? 0.519046 0.325427 0.34094  0.0268081   0.0291913   0.0202192   30  ASP   B HB3  
2152 N N    . ARG   B 19  ? 0.420244 0.325532 0.278482 0.020752    0.0240153   0.0158841   31  ARG   B N    
2153 C CA   . ARG   B 19  ? 0.42679  0.36445  0.304418 0.0206669   0.0181016   0.0102415   31  ARG   B CA   
2154 C C    . ARG   B 19  ? 0.424952 0.375448 0.325925 0.0175875   0.0166661   0.00576886  31  ARG   B C    
2155 O O    . ARG   B 19  ? 0.389297 0.362833 0.306596 0.0181337   0.012639    0.0035343   31  ARG   B O    
2156 C CB   . ARG   B 19  ? 0.414301 0.368967 0.286655 0.0335109   0.00932946  0.0124153   31  ARG   B CB   
2157 C CG   . ARG   B 19  ? 0.43469  0.378196 0.279056 0.0371437   0.00886353  0.016632    31  ARG   B CG   
2158 C CD   . ARG   B 19  ? 0.452349 0.413318 0.288195 0.0523454   -0.00388601 0.0180377   31  ARG   B CD   
2159 N NE   . ARG   B 19  ? 0.458421 0.456281 0.325514 0.0495565   -0.0123917  0.00878899  31  ARG   B NE   
2160 C CZ   . ARG   B 19  ? 0.499805 0.51419  0.376089 0.0399438   -0.0165048  -0.00077976 31  ARG   B CZ   
2161 N NH1  . ARG   B 19  ? 0.458437 0.460353 0.312929 0.0350075   -0.0131213  -0.00344102 31  ARG   B NH1  
2162 N NH2  . ARG   B 19  ? 0.491832 0.535952 0.399013 0.0357227   -0.0239449  -0.00837041 31  ARG   B NH2  
2163 H H    . ARG   B 19  ? 0.436087 0.331703 0.288379 0.0133817   0.0297066   0.0167652   31  ARG   B H    
2164 H HA   . ARG   B 19  ? 0.417236 0.358861 0.297237 0.0130578   0.0207006   0.00697484  31  ARG   B HA   
2165 H HB2  . ARG   B 19  ? 0.422241 0.374592 0.292221 0.0432437   0.00729533  0.0156965   31  ARG   B HB2  
2166 H HB3  . ARG   B 19  ? 0.400296 0.375822 0.289605 0.0302612   0.00574356  0.00750754  31  ARG   B HB3  
2167 H HG2  . ARG   B 19  ? 0.433342 0.380339 0.279525 0.0281757   0.0120996   0.0122991   31  ARG   B HG2  
2168 H HG3  . ARG   B 19  ? 0.457    0.376505 0.284419 0.0386017   0.0140044   0.0228011   31  ARG   B HG3  
2169 H HD2  . ARG   B 19  ? 0.479568 0.434077 0.295254 0.0533347   -0.0045247  0.0196055   31  ARG   B HD2  
2170 H HD3  . ARG   B 19  ? 0.471563 0.42437  0.299906 0.0637417   -0.0059539  0.023711    31  ARG   B HD3  
2171 H HE   . ARG   B 19  ? 0.452999 0.461947 0.334029 0.0540908   -0.0144071  0.00923386  31  ARG   B HE   
2172 H HH11 . ARG   B 19  ? 0.47537  0.462167 0.324341 0.0292359   -0.0038581  -0.00176923 31  ARG   B HH11 
2173 H HH12 . ARG   B 19  ? 0.487065 0.49702  0.332739 0.037668    -0.0199647  -0.00741404 31  ARG   B HH12 
2174 H HH21 . ARG   B 19  ? 0.479004 0.534668 0.400603 0.039564    -0.0251494  -0.00628266 31  ARG   B HH21 
2175 H HH22 . ARG   B 19  ? 0.484821 0.536724 0.398461 0.0286297   -0.0270336  -0.0157124  31  ARG   B HH22 
2176 N N    . GLY   B 20  ? 0.412496 0.347518 0.314884 0.0125913   0.0198646   0.00419328  32  GLY   B N    
2177 C CA   . GLY   B 20  ? 0.378309 0.320342 0.293944 0.0119457   0.0178038   0.00121554  32  GLY   B CA   
2178 C C    . GLY   B 20  ? 0.402405 0.359616 0.338263 0.00297546  0.0168324   -0.00308093 32  GLY   B C    
2179 O O    . GLY   B 20  ? 0.343857 0.309337 0.288985 0.00395205  0.0148426   -0.00251901 32  GLY   B O    
2180 H H    . GLY   B 20  ? 0.422695 0.342142 0.316728 0.00913706  0.0231622   0.00498507  32  GLY   B H    
2181 H HA2  . GLY   B 20  ? 0.39181  0.341422 0.306897 0.0196104   0.0165055   0.00347456  32  GLY   B HA2  
2182 H HA3  . GLY   B 20  ? 0.399733 0.327653 0.310506 0.0107965   0.0181926   -0.00027757 32  GLY   B HA3  
2183 N N    . VAL   B 21  ? 0.350599 0.309354 0.291299 -0.00461041 0.0192881   -0.00688638 33  VAL   B N    
2184 C CA   . VAL   B 21  ? 0.321416 0.290672 0.279822 -0.010547   0.0185997   -0.0125511  33  VAL   B CA   
2185 C C    . VAL   B 21  ? 0.380717 0.35573  0.334847 -0.0127374  0.0211139   -0.01613    33  VAL   B C    
2186 O O    . VAL   B 21  ? 0.325247 0.293365 0.268722 -0.0152414  0.0274521   -0.0164741  33  VAL   B O    
2187 C CB   . VAL   B 21  ? 0.339888 0.306193 0.310692 -0.0158549  0.0195378   -0.0177714  33  VAL   B CB   
2188 C CG1  . VAL   B 21  ? 0.33513  0.310862 0.324537 -0.0175121  0.0176759   -0.0236467  33  VAL   B CG1  
2189 C CG2  . VAL   B 21  ? 0.364666 0.323351 0.333846 -0.0131675  0.0146386   -0.0163974  33  VAL   B CG2  
2190 H H    . VAL   B 21  ? 0.369362 0.320603 0.300088 -0.00525288 0.0223195   -0.0057676  33  VAL   B H    
2191 H HA   . VAL   B 21  ? 0.331746 0.307046 0.296801 -0.00899618 0.0155974   -0.0113836  33  VAL   B HA   
2192 H HB   . VAL   B 21  ? 0.347743 0.31052  0.315194 -0.0195158  0.0244832   -0.019032   33  VAL   B HB   
2193 H HG11 . VAL   B 21  ? 0.330849 0.307821 0.321754 -0.0152923  0.0142483   -0.0211213  33  VAL   B HG11 
2194 H HG12 . VAL   B 21  ? 0.336486 0.315697 0.326083 -0.0195132  0.0213789   -0.0272939  33  VAL   B HG12 
2195 H HG13 . VAL   B 21  ? 0.332893 0.309171 0.332088 -0.0182556  0.0161556   -0.026542   33  VAL   B HG13 
2196 H HG21 . VAL   B 21  ? 0.356559 0.316898 0.336438 -0.0161727  0.0129182   -0.0207758  33  VAL   B HG21 
2197 H HG22 . VAL   B 21  ? 0.367093 0.316451 0.324743 -0.0121702  0.0160596   -0.0144461  33  VAL   B HG22 
2198 H HG23 . VAL   B 21  ? 0.354702 0.315788 0.322967 -0.00898683 0.0116288   -0.0135065  33  VAL   B HG23 
2199 N N    . LEU   B 22  ? 0.348749 0.335286 0.309828 -0.0124353  0.0164278   -0.0188344  34  LEU   B N    
2200 C CA   . LEU   B 22  ? 0.354375 0.34666  0.309176 -0.0136467  0.0156619   -0.0255215  34  LEU   B CA   
2201 C C    . LEU   B 22  ? 0.345852 0.340567 0.31748  -0.01858    0.0148571   -0.0353478  34  LEU   B C    
2202 O O    . LEU   B 22  ? 0.342342 0.336782 0.331064 -0.0205262  0.0115501   -0.0342291  34  LEU   B O    
2203 C CB   . LEU   B 22  ? 0.327741 0.332004 0.280232 -0.00949483 0.00775417  -0.0235038  34  LEU   B CB   
2204 C CG   . LEU   B 22  ? 0.347515 0.349497 0.281872 -4.698e-05  0.00670509  -0.0148076  34  LEU   B CG   
2205 C CD1  . LEU   B 22  ? 0.335436 0.358275 0.278806 0.00501122  -0.00244956 -0.0146009  34  LEU   B CD1  
2206 C CD2  . LEU   B 22  ? 0.365651 0.353761 0.269935 0.00428528  0.0103785   -0.0117794  34  LEU   B CD2  
2207 H H    . LEU   B 22  ? 0.346757 0.337309 0.31622  -0.0119361  0.0135824   -0.0169389  34  LEU   B H    
2208 H HA   . LEU   B 22  ? 0.359271 0.345915 0.300342 -0.0131091  0.0203998   -0.0250418  34  LEU   B HA   
2209 H HB2  . LEU   B 22  ? 0.326957 0.337056 0.294528 -0.0114302  0.00549726  -0.0225719  34  LEU   B HB2  
2210 H HB3  . LEU   B 22  ? 0.343833 0.353088 0.293555 -0.0107156  0.00460435  -0.0298721  34  LEU   B HB3  
2211 H HG   . LEU   B 22  ? 0.337796 0.332907 0.273907 0.00124359  0.00972736  -0.0101457  34  LEU   B HG   
2212 H HD11 . LEU   B 22  ? 0.326732 0.356832 0.287472 0.00191641  -0.00207738 -0.0139874  34  LEU   B HD11 
2213 H HD12 . LEU   B 22  ? 0.347195 0.368704 0.279466 0.0135895   -0.00368054 -0.00926192 34  LEU   B HD12 
2214 H HD13 . LEU   B 22  ? 0.344317 0.375032 0.287604 0.0030569   -0.00752926 -0.0207616  34  LEU   B HD13 
2215 H HD21 . LEU   B 22  ? 0.368669 0.346126 0.270901 -0.00038151 0.0177692   -0.0116837  34  LEU   B HD21 
2216 H HD22 . LEU   B 22  ? 0.376249 0.370565 0.273847 0.00461885  0.00700871  -0.0164709  34  LEU   B HD22 
2217 H HD23 . LEU   B 22  ? 0.376341 0.359614 0.269895 0.0116134   0.00884258  -0.00526016 34  LEU   B HD23 
2218 N N    . LYS   B 23  ? 0.338387 0.332629 0.30261  -0.0194058  0.0190241   -0.0445604  35  LYS   B N    
2219 C CA   . LYS   B 23  ? 0.32138  0.314291 0.300511 -0.0211184  0.0200587   -0.0556735  35  LYS   B CA   
2220 C C    . LYS   B 23  ? 0.377312 0.372102 0.344316 -0.0207461  0.0177482   -0.0683001  35  LYS   B C    
2221 O O    . LYS   B 23  ? 0.363873 0.360685 0.306337 -0.0181661  0.0212173   -0.0690162  35  LYS   B O    
2222 C CB   . LYS   B 23  ? 0.352855 0.345931 0.337327 -0.0205529  0.030658    -0.0586622  35  LYS   B CB   
2223 C CG   . LYS   B 23  ? 0.333293 0.326492 0.336736 -0.0180832  0.0316864   -0.0709184  35  LYS   B CG   
2224 C CD   . LYS   B 23  ? 0.374934 0.377251 0.390356 -0.0168661  0.0428327   -0.0746281  35  LYS   B CD   
2225 C CE   . LYS   B 23  ? 0.334093 0.339235 0.370622 -0.0101368  0.0438596   -0.088001   35  LYS   B CE   
2226 N NZ   . LYS   B 23  ? 0.330773 0.352899 0.382111 -0.00807789 0.0570297   -0.0950025  35  LYS   B NZ   
2227 H H    . LYS   B 23  ? 0.350141 0.343817 0.297897 -0.0177092  0.0217159   -0.0437005  35  LYS   B H    
2228 H HA   . LYS   B 23  ? 0.32964  0.320408 0.322834 -0.0222919  0.0155279   -0.0544463  35  LYS   B HA   
2229 H HB2  . LYS   B 23  ? 0.331349 0.323553 0.321931 -0.0212093  0.0309096   -0.0520896  35  LYS   B HB2  
2230 H HB3  . LYS   B 23  ? 0.351729 0.346056 0.321265 -0.0206053  0.0371246   -0.0591886  35  LYS   B HB3  
2231 H HG2  . LYS   B 23  ? 0.359429 0.351364 0.355513 -0.0172558  0.0312494   -0.079151   35  LYS   B HG2  
2232 H HG3  . LYS   B 23  ? 0.340223 0.328818 0.356071 -0.0175634  0.0253045   -0.0687264  35  LYS   B HG3  
2233 H HD2  . LYS   B 23  ? 0.343857 0.347453 0.367386 -0.0184254  0.0413574   -0.0679249  35  LYS   B HD2  
2234 H HD3  . LYS   B 23  ? 0.364145 0.369822 0.365768 -0.0185439  0.0513013   -0.075087   35  LYS   B HD3  
2235 H HE2  . LYS   B 23  ? 0.353797 0.353371 0.381768 -0.00844818 0.0427406   -0.0953927  35  LYS   B HE2  
2236 H HE3  . LYS   B 23  ? 0.334668 0.334998 0.384271 -0.00790352 0.0360264   -0.0853017  35  LYS   B HE3  
2237 H HZ1  . LYS   B 23  ? 0.343229 0.368755 0.380311 -0.0103937  0.066134    -0.0964031  35  LYS   B HZ1  
2238 H HZ2  . LYS   B 23  ? 0.323295 0.351383 0.385828 -0.0105283  0.0567368   -0.0896433  35  LYS   B HZ2  
2239 H HZ3  . LYS   B 23  ? 0.337968 0.361669 0.401946 -0.0018471  0.0566295   -0.103572   35  LYS   B HZ3  
2240 N N    . ILE   B 24  ? 0.377364 0.368021 0.359207 -0.0230256  0.0116159   -0.0779442  36  ILE   B N    
2241 C CA   . ILE   B 24  ? 0.38669  0.374238 0.359569 -0.0218651  0.0103752   -0.0954783  36  ILE   B CA   
2242 C C    . ILE   B 24  ? 0.395595 0.37291  0.385095 -0.0188955  0.0146099   -0.105756   36  ILE   B C    
2243 O O    . ILE   B 24  ? 0.398889 0.366043 0.410075 -0.0203053  0.0102541   -0.102688   36  ILE   B O    
2244 C CB   . ILE   B 24  ? 0.387651 0.376928 0.362504 -0.0274494  -0.00360995 -0.102119   36  ILE   B CB   
2245 C CG1  . ILE   B 24  ? 0.438162 0.442446 0.398846 -0.0266932  -0.00982841 -0.0935296  36  ILE   B CG1  
2246 C CG2  . ILE   B 24  ? 0.506123 0.488085 0.470454 -0.026459   -0.0074828  -0.124089   36  ILE   B CG2  
2247 C CD1  . ILE   B 24  ? 0.465456 0.480018 0.437356 -0.0333121  -0.0253538  -0.101082   36  ILE   B CD1  
2248 H H    . ILE   B 24  ? 0.365843 0.353362 0.362093 -0.0252634  0.00823307  -0.0739524  36  ILE   B H    
2249 H HA   . ILE   B 24  ? 0.398922 0.390242 0.352731 -0.0187652  0.0156145   -0.0969436  36  ILE   B HA   
2250 H HB   . ILE   B 24  ? 0.40489  0.389758 0.398764 -0.0319748  -0.00675314 -0.0985978  36  ILE   B HB   
2251 H HG12 . ILE   B 24  ? 0.442204 0.447803 0.380361 -0.0216666  -0.00681939 -0.0953015  36  ILE   B HG12 
2252 H HG13 . ILE   B 24  ? 0.413036 0.419659 0.379485 -0.0262138  -0.0067771  -0.0811411  36  ILE   B HG13 
2253 H HG21 . ILE   B 24  ? 0.485282 0.468978 0.453537 -0.0316103  -0.0178663  -0.129634   36  ILE   B HG21 
2254 H HG22 . ILE   B 24  ? 0.489738 0.475639 0.431964 -0.0212913  -0.00304527 -0.127342   36  ILE   B HG22 
2255 H HG23 . ILE   B 24  ? 0.480445 0.451593 0.455666 -0.0253935  -0.00406255 -0.129742   36  ILE   B HG23 
2256 H HD11 . ILE   B 24  ? 0.451782 0.462531 0.445748 -0.0399362  -0.0264652  -0.0999124  36  ILE   B HD11 
2257 H HD12 . ILE   B 24  ? 0.45457  0.48154  0.422376 -0.0310193  -0.0292626  -0.0939775  36  ILE   B HD12 
2258 H HD13 . ILE   B 24  ? 0.479458 0.492207 0.440884 -0.0330802  -0.0303257  -0.114497   36  ILE   B HD13 
2259 N N    . VAL   B 25  ? 0.422834 0.401382 0.399955 -0.0129096  0.0234991   -0.119182   37  VAL   B N    
2260 C CA   . VAL   B 25  ? 0.426283 0.396147 0.419907 -0.00649423 0.0270078   -0.132404   37  VAL   B CA   
2261 C C    . VAL   B 25  ? 0.448767 0.401379 0.440904 -0.00878011 0.0152671   -0.147648   37  VAL   B C    
2262 O O    . VAL   B 25  ? 0.483074 0.43716  0.45218  -0.00920773 0.0125165   -0.159593   37  VAL   B O    
2263 C CB   . VAL   B 25  ? 0.419381 0.400293 0.40458  0.00168033  0.0435641   -0.142372   37  VAL   B CB   
2264 C CG1  . VAL   B 25  ? 0.468191 0.441568 0.468657 0.0121178   0.0467588   -0.160476   37  VAL   B CG1  
2265 C CG2  . VAL   B 25  ? 0.423341 0.420767 0.416622 -2.711e-05  0.0551236   -0.128016   37  VAL   B CG2  
2266 H H    . VAL   B 25  ? 0.428538 0.412905 0.386225 -0.0117559  0.027843    -0.119802   37  VAL   B H    
2267 H HA   . VAL   B 25  ? 0.40962  0.376948 0.421799 -0.00601711 0.0256589   -0.125205   37  VAL   B HA   
2268 H HB   . VAL   B 25  ? 0.449754 0.432389 0.410954 0.00141935  0.045393    -0.14726    37  VAL   B HB   
2269 H HG11 . VAL   B 25  ? 0.448933 0.414886 0.470022 0.0132791   0.0407292   -0.15659    37  VAL   B HG11 
2270 H HG12 . VAL   B 25  ? 0.480141 0.442928 0.468005 0.0131897   0.0423487   -0.172862   37  VAL   B HG12 
2271 H HG13 . VAL   B 25  ? 0.462459 0.448583 0.464454 0.017208    0.0592094   -0.163918   37  VAL   B HG13 
2272 H HG21 . VAL   B 25  ? 0.427119 0.433659 0.416656 0.0033381   0.0673875   -0.133823   37  VAL   B HG21 
2273 H HG22 . VAL   B 25  ? 0.409977 0.408576 0.390122 -0.00522154 0.0535134   -0.117724   37  VAL   B HG22 
2274 H HG23 . VAL   B 25  ? 0.401112 0.398463 0.416422 0.00080951  0.051807    -0.123651   37  VAL   B HG23 
2275 N N    . LYS   B 26  ? 0.464714 0.39818  0.479168 -0.00938714 0.00858538  -0.149087   38  LYS   B N    
2276 C CA   . LYS   B 26  ? 0.498222 0.410192 0.51458  -0.0149203  -0.00254041 -0.163244   38  LYS   B CA   
2277 C C    . LYS   B 26  ? 0.519299 0.412879 0.535508 -0.00344437 0.00071185  -0.184888   38  LYS   B C    
2278 O O    . LYS   B 26  ? 0.545029 0.4216   0.5527   -0.00580117 -0.00676706 -0.204323   38  LYS   B O    
2279 C CB   . LYS   B 26  ? 0.530887 0.427446 0.568785 -0.0253003  -0.0108767  -0.149646   38  LYS   B CB   
2280 C CG   . LYS   B 26  ? 0.557178 0.474236 0.594787 -0.0356588  -0.0137472  -0.132422   38  LYS   B CG   
2281 C CD   . LYS   B 26  ? 0.60683  0.540178 0.628893 -0.0415486  -0.0210779  -0.142481   38  LYS   B CD   
2282 C CE   . LYS   B 26  ? 0.614164 0.536116 0.648493 -0.0541296  -0.0331286  -0.153963   38  LYS   B CE   
2283 N NZ   . LYS   B 26  ? 0.684188 0.631462 0.709892 -0.0596326  -0.0426765  -0.157237   38  LYS   B NZ   
2284 H H    . LYS   B 26  ? 0.450754 0.382954 0.479037 -0.0065959  0.0105728   -0.140779   38  LYS   B H    
2285 H HA   . LYS   B 26  ? 0.510086 0.429407 0.512045 -0.0194788  -0.00680207 -0.168778   38  LYS   B HA   
2286 H HB2  . LYS   B 26  ? 0.526261 0.415519 0.574732 -0.0197653  -0.00772154 -0.141992   38  LYS   B HB2  
2287 H HB3  . LYS   B 26  ? 0.553986 0.433547 0.595591 -0.0303659  -0.0173564  -0.159846   38  LYS   B HB3  
2288 H HG2  . LYS   B 26  ? 0.53362  0.462735 0.567894 -0.0308073  -0.00772536 -0.122186   38  LYS   B HG2  
2289 H HG3  . LYS   B 26  ? 0.552029 0.459952 0.603219 -0.0425907  -0.0169764  -0.124218   38  LYS   B HG3  
2290 H HD2  . LYS   B 26  ? 0.603085 0.539428 0.608136 -0.0346726  -0.018155   -0.152924   38  LYS   B HD2  
2291 H HD3  . LYS   B 26  ? 0.57596  0.525596 0.595815 -0.043189   -0.0207416  -0.130719   38  LYS   B HD3  
2292 H HE2  . LYS   B 26  ? 0.628036 0.541758 0.68032  -0.0611435  -0.0334289  -0.144162   38  LYS   B HE2  
2293 H HE3  . LYS   B 26  ? 0.65706  0.563178 0.687156 -0.0516751  -0.0349477  -0.16968    38  LYS   B HE3  
2294 H HZ1  . LYS   B 26  ? 0.641104 0.601497 0.674406 -0.0622737  -0.0416691  -0.143472   38  LYS   B HZ1  
2295 H HZ2  . LYS   B 26  ? 0.664929 0.619603 0.669937 -0.0519218  -0.0412718  -0.162487   38  LYS   B HZ2  
2296 H HZ3  . LYS   B 26  ? 0.678131 0.620844 0.711389 -0.0677362  -0.051497   -0.16816    38  LYS   B HZ3  
2297 N N    . ARG   B 27  ? 0.506031 0.3996   0.53746  0.00902443  0.00915325  -0.181676   39  ARG   B N    
2298 C CA   . ARG   B 27  ? 0.50551  0.387832 0.539251 0.0245579   0.0148872   -0.202305   39  ARG   B CA   
2299 C C    . ARG   B 27  ? 0.541517 0.4537   0.582745 0.0366625   0.0308352   -0.199629   39  ARG   B C    
2300 O O    . ARG   B 27  ? 0.522318 0.448241 0.582688 0.0368918   0.0319559   -0.181878   39  ARG   B O    
2301 C CB   . ARG   B 27  ? 0.579687 0.427169 0.634481 0.0299157   0.00637344  -0.202771   39  ARG   B CB   
2302 C CG   . ARG   B 27  ? 0.6789   0.510167 0.735075 0.0490461   0.0110177   -0.227984   39  ARG   B CG   
2303 C CD   . ARG   B 27  ? 0.759694 0.586651 0.843112 0.0663945   0.0119954   -0.219868   39  ARG   B CD   
2304 N NE   . ARG   B 27  ? 0.765752 0.550212 0.857308 0.0619855   -0.0015675  -0.209392   39  ARG   B NE   
2305 C CZ   . ARG   B 27  ? 0.682256 0.449071 0.790341 0.0720515   -0.00742478 -0.194587   39  ARG   B CZ   
2306 N NH1  . ARG   B 27  ? 0.617378 0.410423 0.740934 0.0840736   -0.00549562 -0.182067   39  ARG   B NH1  
2307 N NH2  . ARG   B 27  ? 0.687314 0.403764 0.794768 0.0692172   -0.0169485  -0.193277   39  ARG   B NH2  
2308 H H    . ARG   B 27  ? 0.47923  0.380884 0.520622 0.00870113  0.0106955   -0.167194   39  ARG   B H    
2309 H HA   . ARG   B 27  ? 0.554003 0.432256 0.570622 0.0242924   0.0143804   -0.217868   39  ARG   B HA   
2310 H HB2  . ARG   B 27  ? 0.587778 0.416901 0.641063 0.019029    -0.00250291 -0.201665   39  ARG   B HB2  
2311 H HB3  . ARG   B 27  ? 0.560759 0.413176 0.629329 0.0326549   0.00668612  -0.188065   39  ARG   B HB3  
2312 H HG2  . ARG   B 27  ? 0.681528 0.532621 0.726395 0.0541977   0.020503    -0.23808    39  ARG   B HG2  
2313 H HG3  . ARG   B 27  ? 0.709582 0.513375 0.760667 0.0458871   0.00359641  -0.239204   39  ARG   B HG3  
2314 H HD2  . ARG   B 27  ? 0.704616 0.556633 0.795864 0.0657683   0.0157835   -0.20637    39  ARG   B HD2  
2315 H HD3  . ARG   B 27  ? 0.756071 0.58265  0.843066 0.0812874   0.0175516   -0.235313   39  ARG   B HD3  
2316 H HE   . ARG   B 27  ? 0.756468 0.523464 0.839847 0.0508689   -0.00666808 -0.212642   39  ARG   B HE   
2317 H HH11 . ARG   B 27  ? 0.605394 0.430423 0.73068  0.0831035   0.00106081  -0.181799   39  ARG   B HH11 
2318 H HH12 . ARG   B 27  ? 0.639251 0.417173 0.771104 0.0928487   -0.0113332  -0.174147   39  ARG   B HH12 
2319 H HH21 . ARG   B 27  ? 0.728329 0.423038 0.832136 0.0722907   -0.0181217  -0.20918    39  ARG   B HH21 
2320 H HH22 . ARG   B 27  ? 0.69571  0.399213 0.805452 0.063974    -0.0215825  -0.17647    39  ARG   B HH22 
2321 N N    . VAL   B 28  ? 0.555749 0.478559 0.582651 0.0463818   0.0434009   -0.218521   40  VAL   B N    
2322 C CA   . VAL   B 28  ? 0.571712 0.52754  0.607916 0.0545178   0.0619411   -0.216681   40  VAL   B CA   
2323 C C    . VAL   B 28  ? 0.568486 0.526004 0.641131 0.0710307   0.0633053   -0.221185   40  VAL   B C    
2324 O O    . VAL   B 28  ? 0.57754  0.509849 0.656048 0.0836336   0.0575737   -0.23668    40  VAL   B O    
2325 C CB   . VAL   B 28  ? 0.651173 0.620544 0.655614 0.0583068   0.0783113   -0.232237   40  VAL   B CB   
2326 C CG1  . VAL   B 28  ? 0.731238 0.734574 0.750094 0.0674442   0.102071    -0.234377   40  VAL   B CG1  
2327 C CG2  . VAL   B 28  ? 0.617943 0.590609 0.586998 0.0434531   0.0752871   -0.221      40  VAL   B CG2  
2328 H H    . VAL   B 28  ? 0.589795 0.499868 0.601337 0.0474821   0.0409891   -0.233051   40  VAL   B H    
2329 H HA   . VAL   B 28  ? 0.548347 0.517354 0.587185 0.0460425   0.0624967   -0.200565   40  VAL   B HA   
2330 H HB   . VAL   B 28  ? 0.677486 0.629625 0.672751 0.0651327   0.0749507   -0.249545   40  VAL   B HB   
2331 H HG11 . VAL   B 28  ? 0.676691 0.694232 0.714824 0.0620294   0.10289     -0.219546   40  VAL   B HG11 
2332 H HG12 . VAL   B 28  ? 0.718108 0.720017 0.75248  0.0804232   0.104979    -0.247671   40  VAL   B HG12 
2333 H HG13 . VAL   B 28  ? 0.718867 0.731351 0.712436 0.0658535   0.113705    -0.237546   40  VAL   B HG13 
2334 H HG21 . VAL   B 28  ? 0.648585 0.628029 0.593238 0.046849    0.0855304   -0.229448   40  VAL   B HG21 
2335 H HG22 . VAL   B 28  ? 0.629697 0.584966 0.59255  0.0380247   0.0606965   -0.222535   40  VAL   B HG22 
2336 H HG23 . VAL   B 28  ? 0.600215 0.585302 0.577352 0.0367955   0.0775377   -0.204161   40  VAL   B HG23 
2337 N N    . GLY   B 29  ? 0.539391 0.527915 0.636396 0.0714313   0.0707049   -0.208554   41  GLY   B N    
2338 C CA   . GLY   B 29  ? 0.525301 0.528164 0.661452 0.0876325   0.0712559   -0.211344   41  GLY   B CA   
2339 C C    . GLY   B 29  ? 0.584444 0.619853 0.734006 0.101079    0.0930054   -0.229365   41  GLY   B C    
2340 O O    . GLY   B 29  ? 0.583651 0.622445 0.705556 0.0999789   0.108035    -0.24162    41  GLY   B O    
2341 H H    . GLY   B 29  ? 0.520339 0.522226 0.609608 0.0610039   0.0747084   -0.198033   41  GLY   B H    
2342 H HA2  . GLY   B 29  ? 0.551333 0.529545 0.692658 0.0960363   0.0603571   -0.215122   41  GLY   B HA2  
2343 H HA3  . GLY   B 29  ? 0.512496 0.528533 0.662499 0.0821315   0.0676942   -0.197453   41  GLY   B HA3  
2344 N N    . ASN   B 30  ? 0.623728 0.684587 0.816442 0.11566     0.09427     -0.231807   42  ASN   B N    
2345 C CA   . ASN   B 30  ? 0.621065 0.719579 0.837619 0.130884    0.115974    -0.249971   42  ASN   B CA   
2346 C C    . ASN   B 30  ? 0.566288 0.715271 0.819827 0.122308    0.125847    -0.239448   42  ASN   B C    
2347 O O    . ASN   B 30  ? 0.477533 0.626376 0.745523 0.114177    0.109137    -0.223002   42  ASN   B O    
2348 C CB   . ASN   B 30  ? 0.677477 0.774549 0.928455 0.159795    0.109366    -0.265612   42  ASN   B CB   
2349 C CG   . ASN   B 30  ? 0.819321 0.857863 1.05156  0.168104    0.0872469   -0.267231   42  ASN   B CG   
2350 O OD1  . ASN   B 30  ? 0.788107 0.80732  1.03111  0.168555    0.0663495   -0.251537   42  ASN   B OD1  
2351 N ND2  . ASN   B 30  ? 0.944654 0.953081 1.14627  0.173281    0.0920629   -0.285863   42  ASN   B ND2  
2352 H H    . ASN   B 30  ? 0.594824 0.651404 0.803009 0.1167      0.0813161   -0.222138   42  ASN   B H    
2353 H HA   . ASN   B 30  ? 0.644249 0.741898 0.836592 0.129521    0.129422    -0.259448   42  ASN   B HA   
2354 H HB2  . ASN   B 30  ? 0.67442  0.794098 0.957715 0.163246    0.104199    -0.259034   42  ASN   B HB2  
2355 H HB3  . ASN   B 30  ? 0.714208 0.82686  0.968717 0.170612    0.125251    -0.281746   42  ASN   B HB3  
2356 H HD21 . ASN   B 30  ? 0.936752 0.911504 1.13303  0.180899    0.0810211   -0.290765   42  ASN   B HD21 
2357 H HD22 . ASN   B 30  ? 0.919946 0.940551 1.10518  0.169004    0.106008    -0.293587   42  ASN   B HD22 
2358 N N    . GLY   B 31  ? 0.600121 0.7925   0.875741 0.127578    0.151225    -0.251529   43  GLY   B N    
2359 C CA   . GLY   B 31  ? 0.621375 0.866035 0.946488 0.121154    0.159512    -0.245807   43  GLY   B CA   
2360 C C    . GLY   B 31  ? 0.617083 0.870023 0.92344  0.0911235   0.170677    -0.227438   43  GLY   B C    
2361 O O    . GLY   B 31  ? 0.742462 0.958732 1.00008  0.0780361   0.165014    -0.216158   43  GLY   B O    
2362 H H    . GLY   B 31  ? 0.627696 0.818292 0.888144 0.134757    0.16416     -0.26423    43  GLY   B H    
2363 H HA2  . GLY   B 31  ? 0.626284 0.900989 0.974227 0.131563    0.176232    -0.258934   43  GLY   B HA2  
2364 H HA3  . GLY   B 31  ? 0.597995 0.842746 0.947205 0.126715    0.140978    -0.241442   43  GLY   B HA3  
2365 N N    . GLU   B 32  ? 0.623373 0.924844 0.970917 0.0805975   0.186645    -0.225215   44  GLU   B N    
2366 C CA   . GLU   B 32  ? 0.636583 0.944826 0.971326 0.0518917   0.199705    -0.208164   44  GLU   B CA   
2367 C C    . GLU   B 32  ? 0.529387 0.83622  0.886175 0.038922    0.1752      -0.193864   44  GLU   B C    
2368 O O    . GLU   B 32  ? 0.511496 0.805491 0.846977 0.0167779   0.177279    -0.178141   44  GLU   B O    
2369 C CB   . GLU   B 32  ? 0.698812 1.05608  1.06002  0.0453281   0.236633    -0.21498    44  GLU   B CB   
2370 H H    . GLU   B 32  ? 0.623945 0.955085 1.01068  0.0917763   0.189382    -0.235031   44  GLU   B H    
2371 H HA   . GLU   B 32  ? 0.634567 0.9124   0.923367 0.0459937   0.201141    -0.201864   44  GLU   B HA   
2374 N N    . GLU   B 33  ? 0.48702  0.805035 0.88327  0.0543508   0.151542    -0.199649   45  GLU   B N    
2375 C CA   . GLU   B 33  ? 0.492818 0.811215 0.907636 0.0455088   0.126759    -0.188982   45  GLU   B CA   
2376 C C    . GLU   B 33  ? 0.487682 0.751363 0.850455 0.0405015   0.106329    -0.173402   45  GLU   B C    
2377 O O    . GLU   B 33  ? 0.460126 0.689858 0.794272 0.054359    0.0973653   -0.17477    45  GLU   B O    
2378 C CB   . GLU   B 33  ? 0.565727 0.912192 1.03261  0.0680774   0.106894    -0.200384   45  GLU   B CB   
2379 H H    . GLU   B 33  ? 0.511831 0.836174 0.921744 0.0724469   0.150325    -0.211075   45  GLU   B H    
2380 H HA   . GLU   B 33  ? 0.494285 0.83261  0.923121 0.0281322   0.136949    -0.184968   45  GLU   B HA   
2383 N N    . THR   B 34  ? 0.43675  0.693178 0.791783 0.0210898   0.0981944   -0.159786   46  THR   B N    
2384 C CA   . THR   B 34  ? 0.399928 0.614729 0.718834 0.0196808   0.0758231   -0.146367   46  THR   B CA   
2385 C C    . THR   B 34  ? 0.441765 0.669068 0.787524 0.0184017   0.0533592   -0.143611   46  THR   B C    
2386 O O    . THR   B 34  ? 0.488859 0.75499  0.877321 0.0113448   0.056682    -0.150578   46  THR   B O    
2387 C CB   . THR   B 34  ? 0.422705 0.610618 0.696538 0.00073499  0.0860774   -0.13318    46  THR   B CB   
2388 O OG1  . THR   B 34  ? 0.372523 0.583996 0.667481 -0.0178359  0.0977738   -0.130967   46  THR   B OG1  
2389 C CG2  . THR   B 34  ? 0.425821 0.601496 0.666913 0.00173084  0.105707    -0.135865   46  THR   B CG2  
2390 H H    . THR   B 34  ? 0.43658  0.714551 0.809811 0.00836903  0.107854    -0.159341   46  THR   B H    
2391 H HA   . THR   B 34  ? 0.42535  0.62136  0.73149  0.0329027   0.0680455   -0.148097   46  THR   B HA   
2392 H HB   . THR   B 34  ? 0.399531 0.563639 0.652821 0.0001681   0.0719698   -0.124781   46  THR   B HB   
2394 H HG21 . THR   B 34  ? 0.431409 0.588925 0.642981 -0.00819653 0.108372    -0.126467   46  THR   B HG21 
2395 H HG22 . THR   B 34  ? 0.43849  0.637646 0.695943 0.00041807  0.122531    -0.142653   46  THR   B HG22 
2396 H HG23 . THR   B 34  ? 0.434425 0.59664  0.666993 0.0140528   0.0985869   -0.14058    46  THR   B HG23 
2397 N N    . PRO   B 35  ? 0.4513   0.648206 0.77399  0.0254911   0.0295466   -0.134453   47  PRO   B N    
2398 C CA   . PRO   B 35  ? 0.475808 0.682553 0.816655 0.0278239   0.00625524  -0.133211   47  PRO   B CA   
2399 C C    . PRO   B 35  ? 0.578139 0.796863 0.926122 0.00471833  0.00871407  -0.131102   47  PRO   B C    
2400 O O    . PRO   B 35  ? 0.477769 0.676658 0.796466 -0.0125159  0.0228373   -0.122685   47  PRO   B O    
2401 C CB   . PRO   B 35  ? 0.495478 0.658319 0.793666 0.0365669   -0.0113102  -0.12021    47  PRO   B CB   
2402 C CG   . PRO   B 35  ? 0.496904 0.635187 0.773701 0.0454323   -0.00134705 -0.119813   47  PRO   B CG   
2403 C CD   . PRO   B 35  ? 0.47422  0.62664  0.75088  0.0303204   0.024694    -0.124829   47  PRO   B CD   
2404 H HA   . PRO   B 35  ? 0.493634 0.72403  0.8664   0.0397611   -0.00018529 -0.141937   47  PRO   B HA   
2405 H HB2  . PRO   B 35  ? 0.48663  0.634633 0.762144 0.0250049   -0.0111739  -0.11238    47  PRO   B HB2  
2406 H HB3  . PRO   B 35  ? 0.496315 0.661822 0.803838 0.0482025   -0.0282731  -0.12065    47  PRO   B HB3  
2407 H HG2  . PRO   B 35  ? 0.496018 0.605713 0.743149 0.044385    -0.00613939 -0.110389   47  PRO   B HG2  
2408 H HG3  . PRO   B 35  ? 0.502556 0.646525 0.796222 0.0604286   -0.00566573 -0.126351   47  PRO   B HG3  
2409 H HD2  . PRO   B 35  ? 0.46787  0.605737 0.720105 0.0181      0.0286248   -0.11675    47  PRO   B HD2  
2410 H HD3  . PRO   B 35  ? 0.478886 0.627008 0.751586 0.0369102   0.0330872   -0.130218   47  PRO   B HD3  
2411 N N    . MET   B 36  ? 0.473473 0.724063 0.861492 0.00426703  -0.00611152 -0.139654   48  MET   B N    
2412 C CA   . MET   B 36  ? 0.521612 0.776398 0.914391 -0.0192742  -0.00553625 -0.138959   48  MET   B CA   
2413 C C    . MET   B 36  ? 0.543682 0.792571 0.932483 -0.0133228  -0.0364678  -0.139733   48  MET   B C    
2414 O O    . MET   B 36  ? 0.455922 0.707992 0.848461 0.0092645   -0.0562671  -0.141554   48  MET   B O    
2415 C CB   . MET   B 36  ? 0.500354 0.802149 0.947848 -0.0352877  0.0109794   -0.150677   48  MET   B CB   
2416 C CG   . MET   B 36  ? 0.591875 0.908525 1.04823  -0.0315077  0.0385101   -0.153299   48  MET   B CG   
2417 S SD   . MET   B 36  ? 0.455842 0.835208 0.984161 -0.0514946  0.0582162   -0.166802   48  MET   B SD   
2418 C CE   . MET   B 36  ? 0.32615  0.665898 0.805396 -0.0792603  0.0878991   -0.150341   48  MET   B CE   
2419 H H    . MET   B 36  ? 0.508225 0.776569 0.920001 0.0181407   -0.0169984  -0.146279   48  MET   B H    
2420 H HA   . MET   B 36  ? 0.51121  0.738768 0.870458 -0.0287471  0.00442273  -0.129843   48  MET   B HA   
2421 H HB2  . MET   B 36  ? 0.525165 0.855826 1.00858  -0.0293921  -0.00349329 -0.160285   48  MET   B HB2  
2422 H HB3  . MET   B 36  ? 0.528399 0.822319 0.969939 -0.0541587  0.0177122   -0.147403   48  MET   B HB3  
2423 H HG2  . MET   B 36  ? 0.538377 0.828764 0.959596 -0.0381093  0.0523881   -0.144562   48  MET   B HG2  
2424 H HG3  . MET   B 36  ? 0.538073 0.858851 0.999018 -0.012194   0.0320816   -0.157305   48  MET   B HG3  
2425 H HE1  . MET   B 36  ? 0.364218 0.724103 0.870835 -0.0976178  0.100283    -0.152618   48  MET   B HE1  
2426 H HE2  . MET   B 36  ? 0.358179 0.664162 0.803806 -0.0815011  0.0756945   -0.14232    48  MET   B HE2  
2427 H HE3  . MET   B 36  ? 0.360606 0.691899 0.818824 -0.0729869  0.103626    -0.147216   48  MET   B HE3  
2428 N N    . ILE   B 37  ? 0.454374 0.692119 0.833019 -0.0324823  -0.0400632  -0.138616   49  ILE   B N    
2429 C CA   . ILE   B 37  ? 0.385397 0.608158 0.744647 -0.0255258  -0.0686073  -0.138798   49  ILE   B CA   
2430 C C    . ILE   B 37  ? 0.351834 0.614358 0.754645 -0.00996016 -0.0933234  -0.152311   49  ILE   B C    
2431 O O    . ILE   B 37  ? 0.389672 0.699035 0.850657 -0.0173776  -0.089947   -0.16616    49  ILE   B O    
2432 C CB   . ILE   B 37  ? 0.435548 0.644571 0.786103 -0.048968   -0.069008   -0.140976   49  ILE   B CB   
2433 C CG1  . ILE   B 37  ? 0.450197 0.615374 0.751249 -0.0579434  -0.0491732  -0.125977   49  ILE   B CG1  
2434 C CG2  . ILE   B 37  ? 0.414176 0.617283 0.752689 -0.0412474  -0.101616   -0.147689   49  ILE   B CG2  
2435 C CD1  . ILE   B 37  ? 0.501501 0.642345 0.78534  -0.0759002  -0.051924   -0.127166   49  ILE   B CD1  
2436 H H    . ILE   B 37  ? 0.454617 0.692358 0.836512 -0.0489987  -0.0247028  -0.137901   49  ILE   B H    
2437 H HA   . ILE   B 37  ? 0.399916 0.594689 0.722312 -0.0147139  -0.071908   -0.129048   49  ILE   B HA   
2438 H HB   . ILE   B 37  ? 0.423305 0.657426 0.810451 -0.0630993  -0.0610165  -0.148951   49  ILE   B HB   
2439 H HG12 . ILE   B 37  ? 0.451709 0.596912 0.721794 -0.0444668  -0.0535929  -0.117891   49  ILE   B HG12 
2440 H HG13 . ILE   B 37  ? 0.448099 0.619514 0.757956 -0.0644514  -0.0296671  -0.12346    49  ILE   B HG13 
2441 H HG21 . ILE   B 37  ? 0.435663 0.626687 0.767037 -0.0556363  -0.101949   -0.150498   49  ILE   B HG21 
2442 H HG22 . ILE   B 37  ? 0.427959 0.608087 0.730792 -0.0267336  -0.10839    -0.139073   49  ILE   B HG22 
2443 H HG23 . ILE   B 37  ? 0.427004 0.661062 0.799815 -0.03598    -0.115329   -0.158103   49  ILE   B HG23 
2444 H HD11 . ILE   B 37  ? 0.496601 0.657911 0.814052 -0.0886172  -0.0541486  -0.13732    49  ILE   B HD11 
2445 H HD12 . ILE   B 37  ? 0.491278 0.61129  0.754331 -0.0832919  -0.0355267  -0.118583   49  ILE   B HD12 
2446 H HD13 . ILE   B 37  ? 0.497669 0.622235 0.756965 -0.0669708  -0.0678192  -0.126657   49  ILE   B HD13 
2447 N N    . GLY   B 38  ? 0.354369 0.59852  0.727893 0.0118092   -0.118426   -0.147582   50  GLY   B N    
2448 C CA   . GLY   B 38  ? 0.386943 0.661429 0.790064 0.0325756   -0.147038   -0.157611   50  GLY   B CA   
2449 C C    . GLY   B 38  ? 0.388488 0.664723 0.797132 0.0596798   -0.147166   -0.153007   50  GLY   B C    
2450 O O    . GLY   B 38  ? 0.425167 0.712292 0.841861 0.0835675   -0.173685   -0.15595    50  GLY   B O    
2451 H H    . GLY   B 38  ? 0.365094 0.576363 0.697406 0.0144747   -0.117632   -0.137031   50  GLY   B H    
2452 H HA2  . GLY   B 38  ? 0.397571 0.655393 0.773195 0.0387148   -0.165729   -0.155291   50  GLY   B HA2  
2453 H HA3  . GLY   B 38  ? 0.37991  0.690795 0.827455 0.0234674   -0.149465   -0.170688   50  GLY   B HA3  
2454 N N    . ASP   B 39  ? 0.382803 0.65083  0.790683 0.0567002   -0.119202   -0.148159   51  ASP   B N    
2455 C CA   . ASP   B 39  ? 0.37598  0.643456 0.792226 0.0810467   -0.117136   -0.147202   51  ASP   B CA   
2456 C C    . ASP   B 39  ? 0.404041 0.623235 0.767666 0.1011      -0.133804   -0.131064   51  ASP   B C    
2457 O O    . ASP   B 39  ? 0.455587 0.636168 0.7697   0.0913023   -0.130966   -0.117624   51  ASP   B O    
2458 C CB   . ASP   B 39  ? 0.403743 0.663757 0.817822 0.072711    -0.0843397  -0.145985   51  ASP   B CB   
2459 C CG   . ASP   B 39  ? 0.360657 0.669969 0.828443 0.060122    -0.0629795  -0.160862   51  ASP   B CG   
2460 O OD1  . ASP   B 39  ? 0.319947 0.675463 0.837518 0.0569418   -0.073662   -0.173539   51  ASP   B OD1  
2461 O OD2  . ASP   B 39  ? 0.409635 0.712958 0.869833 0.0530073   -0.0354983  -0.160213   51  ASP   B OD2  
2462 H H    . ASP   B 39  ? 0.367611 0.628329 0.767835 0.0397919   -0.101495   -0.145885   51  ASP   B H    
2463 H HA   . ASP   B 39  ? 0.390171 0.692192 0.846401 0.0912358   -0.126996   -0.15802    51  ASP   B HA   
2464 H HB2  . ASP   B 39  ? 0.381672 0.615027 0.76252  0.0595889   -0.0749239  -0.137166   51  ASP   B HB2  
2465 H HB3  . ASP   B 39  ? 0.395305 0.64122  0.801631 0.0893377   -0.0852798  -0.143539   51  ASP   B HB3  
2466 N N    . LYS   B 40  ? 0.416293 0.635324 0.790205 0.129567    -0.147669   -0.131279   52  LYS   B N    
2467 C CA   . LYS   B 40  ? 0.401783 0.568979 0.724949 0.147355    -0.158232   -0.113235   52  LYS   B CA   
2468 C C    . LYS   B 40  ? 0.422846 0.558573 0.729419 0.144028    -0.133465   -0.107156   52  LYS   B C    
2469 O O    . LYS   B 40  ? 0.486922 0.641533 0.827581 0.15185     -0.122765   -0.118859   52  LYS   B O    
2470 C CB   . LYS   B 40  ? 0.448913 0.624181 0.785371 0.180193    -0.187712   -0.114561   52  LYS   B CB   
2471 H H    . LYS   B 40  ? 0.407587 0.658194 0.820632 0.137925    -0.149709   -0.142277   52  LYS   B H    
2472 H HA   . LYS   B 40  ? 0.420661 0.568516 0.710902 0.138959    -0.162293   -0.104562   52  LYS   B HA   
2475 N N    . VAL   B 41  ? 0.448326 0.539506 0.704647 0.132572    -0.124793   -0.090799   53  VAL   B N    
2476 C CA   . VAL   B 41  ? 0.456565 0.52116  0.698026 0.124427    -0.10262    -0.0872637  53  VAL   B CA   
2477 C C    . VAL   B 41  ? 0.455094 0.468535 0.660517 0.137346    -0.108447   -0.0709632  53  VAL   B C    
2478 O O    . VAL   B 41  ? 0.512518 0.502261 0.684742 0.14118     -0.120957   -0.0554859  53  VAL   B O    
2479 C CB   . VAL   B 41  ? 0.422996 0.485535 0.645037 0.0970277   -0.0853283  -0.0839936  53  VAL   B CB   
2480 C CG1  . VAL   B 41  ? 0.449152 0.486415 0.653991 0.0891296   -0.0664774  -0.081056   53  VAL   B CG1  
2481 C CG2  . VAL   B 41  ? 0.480169 0.586314 0.73734  0.0833348   -0.0768963  -0.0984057  53  VAL   B CG2  
2482 H H    . VAL   B 41  ? 0.451471 0.530543 0.683456 0.130126    -0.133321   -0.0827129  53  VAL   B H    
2483 H HA   . VAL   B 41  ? 0.441435 0.523509 0.71003  0.128438    -0.0950422  -0.0984129  53  VAL   B HA   
2484 H HB   . VAL   B 41  ? 0.448658 0.497044 0.645898 0.0942224   -0.0926856  -0.0744352  53  VAL   B HB   
2485 H HG11 . VAL   B 41  ? 0.443964 0.485959 0.666419 0.0977053   -0.0628057  -0.0892533  53  VAL   B HG11 
2486 H HG12 . VAL   B 41  ? 0.451401 0.459631 0.630368 0.0906914   -0.069737   -0.0696826  53  VAL   B HG12 
2487 H HG13 . VAL   B 41  ? 0.422878 0.467809 0.624516 0.0741388   -0.0548522  -0.0827596  53  VAL   B HG13 
2488 H HG21 . VAL   B 41  ? 0.441196 0.541792 0.68407  0.0676      -0.0652926  -0.0955303  53  VAL   B HG21 
2489 H HG22 . VAL   B 41  ? 0.456057 0.578538 0.724611 0.0856805   -0.0902613  -0.101252   53  VAL   B HG22 
2490 H HG23 . VAL   B 41  ? 0.451376 0.574713 0.734183 0.0878818   -0.0694503  -0.107925   53  VAL   B HG23 
2491 N N    . TYR   B 42  ? 0.44936  0.444271 0.660759 0.144015    -0.0984311  -0.0750766  54  TYR   B N    
2492 C CA   . TYR   B 42  ? 0.468082 0.410607 0.651795 0.154553    -0.101782   -0.0616692  54  TYR   B CA   
2493 C C    . TYR   B 42  ? 0.501746 0.419605 0.667909 0.134183    -0.0817372  -0.0603909  54  TYR   B C    
2494 O O    . TYR   B 42  ? 0.481592 0.413888 0.666404 0.129389    -0.0681959  -0.076506   54  TYR   B O    
2495 C CB   . TYR   B 42  ? 0.533322 0.47042  0.741655 0.182082    -0.109814   -0.0711301  54  TYR   B CB   
2496 C CG   . TYR   B 42  ? 0.538957 0.502326 0.76964  0.207401    -0.133112   -0.0739037  54  TYR   B CG   
2497 C CD1  . TYR   B 42  ? 0.534385 0.558883 0.808465 0.207074    -0.135559   -0.0913303  54  TYR   B CD1  
2498 C CD2  . TYR   B 42  ? 0.63536  0.562386 0.842768 0.230599    -0.153292   -0.0581007  54  TYR   B CD2  
2499 C CE1  . TYR   B 42  ? 0.580618 0.634795 0.881426 0.230794    -0.159697   -0.0964244  54  TYR   B CE1  
2500 C CE2  . TYR   B 42  ? 0.640984 0.59309  0.868301 0.257199    -0.178043   -0.0615568  54  TYR   B CE2  
2501 C CZ   . TYR   B 42  ? 0.621516 0.639778 0.896931 0.256654    -0.182404   -0.0815911  54  TYR   B CZ   
2502 O OH   . TYR   B 42  ? 0.719895 0.766557 1.01833  0.283005    -0.209728   -0.0862337  54  TYR   B OH   
2503 H H    . TYR   B 42  ? 0.436497 0.451298 0.669986 0.141256    -0.0883547  -0.087361   54  TYR   B H    
2504 H HA   . TYR   B 42  ? 0.500943 0.426241 0.660983 0.157329    -0.111675   -0.0476818  54  TYR   B HA   
2505 H HB2  . TYR   B 42  ? 0.509302 0.464196 0.739237 0.179526    -0.0983828  -0.0856407  54  TYR   B HB2  
2506 H HB3  . TYR   B 42  ? 0.55083  0.447514 0.739081 0.186838    -0.110581   -0.0618808  54  TYR   B HB3  
2507 H HD1  . TYR   B 42  ? 0.508494 0.555357 0.796261 0.191141    -0.120691   -0.100379   54  TYR   B HD1  
2508 H HD2  . TYR   B 42  ? 0.643087 0.527285 0.822193 0.229423    -0.150269   -0.0452501  54  TYR   B HD2  
2509 H HE1  . TYR   B 42  ? 0.552977 0.651153 0.88782  0.22862     -0.160954   -0.109168   54  TYR   B HE1  
2510 H HE2  . TYR   B 42  ? 0.683714 0.608302 0.891168 0.274634    -0.192335   -0.049589   54  TYR   B HE2  
2512 N N    . VAL   B 43  ? 0.490547 0.374107 0.620885 0.122661    -0.0801084  -0.0416942  55  VAL   B N    
2513 C CA   . VAL   B 43  ? 0.50869  0.37305  0.625963 0.102766    -0.0643003  -0.0406717  55  VAL   B CA   
2514 C C    . VAL   B 43  ? 0.548048 0.360311 0.640777 0.102571    -0.0656673  -0.0236086  55  VAL   B C    
2515 O O    . VAL   B 43  ? 0.56871  0.357317 0.643753 0.115307    -0.0768638  -0.00684924 55  VAL   B O    
2516 C CB   . VAL   B 43  ? 0.449432 0.335561 0.555179 0.0809065   -0.0548765  -0.0373999  55  VAL   B CB   
2517 C CG1  . VAL   B 43  ? 0.402641 0.333398 0.530605 0.0790334   -0.0528134  -0.0514256  55  VAL   B CG1  
2518 C CG2  . VAL   B 43  ? 0.438418 0.308465 0.514355 0.0781031   -0.060175   -0.016537   55  VAL   B CG2  
2519 H H    . VAL   B 43  ? 0.514103 0.388125 0.62872  0.127498    -0.0890356  -0.0299269  55  VAL   B H    
2520 H HA   . VAL   B 43  ? 0.495539 0.366342 0.628303 0.103614    -0.0583095  -0.0542722  55  VAL   B HA   
2521 H HB   . VAL   B 43  ? 0.441849 0.320684 0.544244 0.0697932   -0.0456058  -0.0399893  55  VAL   B HB   
2522 H HG11 . VAL   B 43  ? 0.410389 0.351267 0.54215  0.0871352   -0.0629447  -0.0493734  55  VAL   B HG11 
2523 H HG12 . VAL   B 43  ? 0.405938 0.346496 0.552194 0.0832781   -0.0486336  -0.0636845  55  VAL   B HG12 
2524 H HG13 . VAL   B 43  ? 0.389024 0.328155 0.5091   0.0655331   -0.04537    -0.0503799  55  VAL   B HG13 
2525 H HG21 . VAL   B 43  ? 0.424466 0.312285 0.496215 0.0691183   -0.0567704  -0.0167314  55  VAL   B HG21 
2526 H HG22 . VAL   B 43  ? 0.459732 0.305294 0.522785 0.0721672   -0.0555339  -0.00773824 55  VAL   B HG22 
2527 H HG23 . VAL   B 43  ? 0.462386 0.3288   0.535851 0.0916671   -0.0713736  -0.0121639  55  VAL   B HG23 
2528 N N    . HIS   B 44  ? 0.553321 0.347417 0.644481 0.0873065   -0.0542004  -0.0282638  56  HIS   B N    
2529 C CA   . HIS   B 44  ? 0.574314 0.330459 0.644604 0.072787    -0.0492659  -0.0117219  56  HIS   B CA   
2530 C C    . HIS   B 44  ? 0.529769 0.309935 0.595502 0.0490916   -0.0380488  -0.0114474  56  HIS   B C    
2531 O O    . HIS   B 44  ? 0.515206 0.325963 0.592649 0.0430657   -0.0329291  -0.0272676  56  HIS   B O    
2532 C CB   . HIS   B 44  ? 0.593849 0.306805 0.668726 0.0717312   -0.0473561  -0.018108   56  HIS   B CB   
2533 C CG   . HIS   B 44  ? 0.662084 0.332648 0.730058 0.0925518   -0.0576354  -0.00767964 56  HIS   B CG   
2534 N ND1  . HIS   B 44  ? 0.771206 0.418191 0.814095 0.0968936   -0.0624139  0.0187846   56  HIS   B ND1  
2535 C CD2  . HIS   B 44  ? 0.690542 0.343241 0.770973 0.114265    -0.0650029  -0.0193539  56  HIS   B CD2  
2536 C CE1  . HIS   B 44  ? 0.841275 0.450411 0.879302 0.120138    -0.07342    0.0247026   56  HIS   B CE1  
2537 N NE2  . HIS   B 44  ? 0.816054 0.428046 0.878971 0.131436    -0.0754342  0.00098343  56  HIS   B NE2  
2538 H H    . HIS   B 44  ? 0.539572 0.346777 0.644043 0.0853881   -0.0491643  -0.0429538  56  HIS   B H    
2539 H HA   . HIS   B 44  ? 0.587592 0.330175 0.642827 0.0785791   -0.0543662  0.00400754  56  HIS   B HA   
2540 H HB2  . HIS   B 44  ? 0.591073 0.317058 0.680199 0.0736675   -0.0452809  -0.036187   56  HIS   B HB2  
2541 H HB3  . HIS   B 44  ? 0.606285 0.306382 0.674163 0.0549611   -0.0411711  -0.0119141  56  HIS   B HB3  
2543 H HD2  . HIS   B 44  ? 0.700289 0.362328 0.796336 0.117944    -0.0628888  -0.0377895  56  HIS   B HD2  
2544 H HE1  . HIS   B 44  ? 0.861388 0.445174 0.879896 0.128176    -0.0785007  0.0426948   56  HIS   B HE1  
2546 N N    . TYR   B 45  ? 0.52406  0.29164  0.571073 0.0374684   -0.0337618  0.00809719  57  TYR   B N    
2547 C CA   . TYR   B 45  ? 0.47745  0.269322 0.522191 0.0183316   -0.0240347  0.00899977  57  TYR   B CA   
2548 C C    . TYR   B 45  ? 0.495122 0.262177 0.531807 0.00213295  -0.0160153  0.0249518   57  TYR   B C    
2549 O O    . TYR   B 45  ? 0.571388 0.305339 0.593496 0.0062049   -0.016457   0.0430441   57  TYR   B O    
2550 C CB   . TYR   B 45  ? 0.403941 0.226945 0.438342 0.0228425   -0.0255675  0.0133934   57  TYR   B CB   
2551 C CG   . TYR   B 45  ? 0.457978 0.267575 0.466728 0.0278313   -0.0270933  0.0348116   57  TYR   B CG   
2552 C CD1  . TYR   B 45  ? 0.465931 0.274491 0.460294 0.0148018   -0.0160733  0.0492591   57  TYR   B CD1  
2553 C CD2  . TYR   B 45  ? 0.504764 0.302968 0.502769 0.0471105   -0.0395245  0.0405548   57  TYR   B CD2  
2554 C CE1  . TYR   B 45  ? 0.573544 0.368072 0.539466 0.0209481   -0.0151685  0.0690102   57  TYR   B CE1  
2555 C CE2  . TYR   B 45  ? 0.565882 0.348969 0.533056 0.0540782   -0.0419988  0.0601671   57  TYR   B CE2  
2556 C CZ   . TYR   B 45  ? 0.522694 0.302273 0.471295 0.0408067   -0.0284449  0.0749531   57  TYR   B CZ   
2557 O OH   . TYR   B 45  ? 0.642204 0.406377 0.55503  0.0484958   -0.0281304  0.0947838   57  TYR   B OH   
2558 H H    . TYR   B 45  ? 0.55117  0.295077 0.586393 0.0425129   -0.0364821  0.0213347   57  TYR   B H    
2559 H HA   . TYR   B 45  ? 0.455581 0.260181 0.512168 0.0131744   -0.0216995  -0.00535747 57  TYR   B HA   
2560 H HB2  . TYR   B 45  ? 0.39844  0.239985 0.43499  0.0127803   -0.0197457  0.00945623  57  TYR   B HB2  
2561 H HB3  . TYR   B 45  ? 0.412609 0.247627 0.454979 0.0329145   -0.0314012  0.00437061  57  TYR   B HB3  
2562 H HD1  . TYR   B 45  ? 0.467256 0.285872 0.471079 0.00249481  -0.00899904 0.0453048   57  TYR   B HD1  
2563 H HD2  . TYR   B 45  ? 0.503661 0.306089 0.515028 0.0568472   -0.0468733  0.030428    57  TYR   B HD2  
2564 H HE1  . TYR   B 45  ? 0.537359 0.333997 0.494847 0.0124738   -0.00564531 0.0782305   57  TYR   B HE1  
2565 H HE2  . TYR   B 45  ? 0.564567 0.340608 0.52306  0.0686896   -0.0527392  0.0632922   57  TYR   B HE2  
2567 N N    . LYS   B 46  ? 0.51948  0.307446 0.564932 -0.0156403  -0.00840834 0.0193782   58  LYS   B N    
2568 C CA   . LYS   B 46  ? 0.545306 0.3309   0.589467 -0.0335677  0.00155159  0.0334492   58  LYS   B CA   
2569 C C    . LYS   B 46  ? 0.483624 0.310084 0.52497  -0.0371943  0.00661408  0.0337872   58  LYS   B C    
2570 O O    . LYS   B 46  ? 0.50244  0.354696 0.552223 -0.0373189  0.00397786  0.0178209   58  LYS   B O    
2571 C CB   . LYS   B 46  ? 0.50051  0.276441 0.565633 -0.0521623  0.00344908  0.0222389   58  LYS   B CB   
2572 H H    . LYS   B 46  ? 0.48891  0.295635 0.542559 -0.0162644  -0.00935989 0.00581655  58  LYS   B H    
2573 H HA   . LYS   B 46  ? 0.552601 0.31745  0.584317 -0.0310387  0.00371043  0.04927     58  LYS   B HA   
2576 N N    . GLY   B 47  ? 0.516834 0.347252 0.542988 -0.0381672  0.0144713   0.0521428   59  GLY   B N    
2577 C CA   . GLY   B 47  ? 0.465261 0.331279 0.488545 -0.0392732  0.019502    0.0513333   59  GLY   B CA   
2578 C C    . GLY   B 47  ? 0.510067 0.385134 0.536819 -0.0527688  0.0335273   0.0653255   59  GLY   B C    
2579 O O    . GLY   B 47  ? 0.56918  0.419751 0.595413 -0.0613423  0.0406916   0.0794294   59  GLY   B O    
2580 H H    . GLY   B 47  ? 0.531939 0.341373 0.547828 -0.0371254  0.0170898   0.0651938   59  GLY   B H    
2581 H HA2  . GLY   B 47  ? 0.455898 0.338381 0.490579 -0.0416087  0.0165161   0.0381773   59  GLY   B HA2  
2582 H HA3  . GLY   B 47  ? 0.474257 0.342899 0.481842 -0.0279878  0.0167224   0.0541405   59  GLY   B HA3  
2583 N N    . LYS   B 48  ? 0.449851 0.359899 0.482609 -0.0549013  0.0381567   0.0612001   60  LYS   B N    
2584 C CA   . LYS   B 48  ? 0.456481 0.38447  0.496484 -0.0651405  0.0530386   0.0732879   60  LYS   B CA   
2585 C C    . LYS   B 48  ? 0.446012 0.410535 0.484068 -0.0570571  0.0552482   0.0677783   60  LYS   B C    
2586 O O    . LYS   B 48  ? 0.384436 0.356951 0.418574 -0.0479015  0.0449648   0.0545087   60  LYS   B O    
2587 C CB   . LYS   B 48  ? 0.490291 0.423116 0.564709 -0.0869914  0.0561861   0.0695224   60  LYS   B CB   
2588 C CG   . LYS   B 48  ? 0.481496 0.43521  0.576959 -0.0905652  0.0443504   0.0478743   60  LYS   B CG   
2589 C CD   . LYS   B 48  ? 0.485406 0.459896 0.616972 -0.111538   0.0466613   0.0424752   60  LYS   B CD   
2590 C CE   . LYS   B 48  ? 0.566352 0.548748 0.712209 -0.114986   0.0309913   0.0194301   60  LYS   B CE   
2591 N NZ   . LYS   B 48  ? 0.613128 0.612915 0.796264 -0.137553   0.0304094   0.0128288   60  LYS   B NZ   
2592 H H    . LYS   B 48  ? 0.436115 0.35946  0.469099 -0.049386   0.0325633   0.0509073   60  LYS   B H    
2593 H HA   . LYS   B 48  ? 0.48953  0.402424 0.512851 -0.0624762  0.059742    0.0873586   60  LYS   B HA   
2594 H HB2  . LYS   B 48  ? 0.494649 0.443952 0.577905 -0.0943935  0.0671837   0.0776568   60  LYS   B HB2  
2595 H HB3  . LYS   B 48  ? 0.511809 0.416403 0.585761 -0.0920509  0.0555617   0.0737747   60  LYS   B HB3  
2596 H HG2  . LYS   B 48  ? 0.480644 0.41503  0.572174 -0.0875963  0.0359741   0.040068    60  LYS   B HG2  
2597 H HG3  . LYS   B 48  ? 0.456193 0.429419 0.544694 -0.0809596  0.0423249   0.0436703   60  LYS   B HG3  
2598 H HD2  . LYS   B 48  ? 0.49661  0.499316 0.635732 -0.111804   0.0531384   0.0462794   60  LYS   B HD2  
2599 H HD3  . LYS   B 48  ? 0.53037  0.485628 0.668912 -0.122968   0.0523481   0.0503615   60  LYS   B HD3  
2600 H HE2  . LYS   B 48  ? 0.558515 0.514699 0.695386 -0.112126   0.0252993   0.0142571   60  LYS   B HE2  
2601 H HE3  . LYS   B 48  ? 0.529179 0.531549 0.668605 -0.105078   0.0266521   0.0133585   60  LYS   B HE3  
2602 H HZ1  . LYS   B 48  ? 0.62378  0.60153  0.813029 -0.148177   0.0347904   0.0184488   60  LYS   B HZ1  
2603 H HZ2  . LYS   B 48  ? 0.593097 0.620455 0.787795 -0.139717   0.0361803   0.0175732   60  LYS   B HZ2  
2604 H HZ3  . LYS   B 48  ? 0.596782 0.601853 0.785509 -0.138609   0.0197161   -0.00201698 60  LYS   B HZ3  
2605 N N    . LEU   B 49  ? 0.44958  0.432849 0.488281 -0.0593988  0.0700859   0.0791537   61  LEU   B N    
2606 C CA   . LEU   B 49  ? 0.493295 0.513262 0.537472 -0.0519371  0.0728797   0.0726608   61  LEU   B CA   
2607 C C    . LEU   B 49  ? 0.447721 0.493269 0.52783  -0.0630186  0.0657453   0.0589617   61  LEU   B C    
2608 O O    . LEU   B 49  ? 0.478865 0.521746 0.583921 -0.0807311  0.0659955   0.0583992   61  LEU   B O    
2609 C CB   . LEU   B 49  ? 0.431105 0.469971 0.471647 -0.0506136  0.0923176   0.0863668   61  LEU   B CB   
2610 C CG   . LEU   B 49  ? 0.501023 0.514085 0.501764 -0.0412039  0.101616    0.102244    61  LEU   B CG   
2611 C CD1  . LEU   B 49  ? 0.498474 0.536418 0.497031 -0.0399092  0.124228    0.114057    61  LEU   B CD1  
2612 C CD2  . LEU   B 49  ? 0.502874 0.500751 0.471317 -0.0221636  0.0880496   0.0939016   61  LEU   B CD2  
2613 H H    . LEU   B 49  ? 0.486517 0.459804 0.522141 -0.0649357  0.0793359   0.0912742   61  LEU   B H    
2614 H HA   . LEU   B 49  ? 0.449178 0.464377 0.475714 -0.0397064  0.0657631   0.0670176   61  LEU   B HA   
2615 H HB2  . LEU   B 49  ? 0.462885 0.513399 0.527767 -0.0645831  0.0998901   0.0903564   61  LEU   B HB2  
2616 H HB3  . LEU   B 49  ? 0.442716 0.50311  0.484443 -0.0418986  0.0925172   0.080538    61  LEU   B HB3  
2617 H HG   . LEU   B 49  ? 0.509537 0.499586 0.508156 -0.048891   0.101766    0.109908    61  LEU   B HG   
2618 H HD11 . LEU   B 49  ? 0.510362 0.560096 0.53454  -0.0547227  0.133583    0.119482    61  LEU   B HD11 
2619 H HD12 . LEU   B 49  ? 0.529649 0.550012 0.497995 -0.0329237  0.130102    0.124092    61  LEU   B HD12 
2620 H HD13 . LEU   B 49  ? 0.489009 0.548842 0.490574 -0.030814   0.12381     0.105923    61  LEU   B HD13 
2621 H HD21 . LEU   B 49  ? 0.494018 0.475109 0.463355 -0.0234692  0.0763682   0.0889219   61  LEU   B HD21 
2622 H HD22 . LEU   B 49  ? 0.481516 0.497006 0.454515 -0.0160838  0.0855756   0.0847799   61  LEU   B HD22 
2623 H HD23 . LEU   B 49  ? 0.521475 0.508273 0.463124 -0.0142054  0.0931556   0.102137    61  LEU   B HD23 
2624 N N    . SER   B 50  ? 0.392891 0.457724 0.472324 -0.0523177  0.0572885   0.0472389   62  SER   B N    
2625 C CA   . SER   B 50  ? 0.419548 0.50361  0.523341 -0.0589765  0.0461198   0.0331943   62  SER   B CA   
2626 C C    . SER   B 50  ? 0.469248 0.585761 0.612297 -0.0747166  0.0516247   0.0337311   62  SER   B C    
2627 O O    . SER   B 50  ? 0.4849   0.609199 0.651169 -0.086968   0.0410498   0.0220496   62  SER   B O    
2628 C CB   . SER   B 50  ? 0.427679 0.525522 0.519424 -0.0427821  0.0375942   0.0242635   62  SER   B CB   
2629 O OG   . SER   B 50  ? 0.494186 0.617948 0.58833  -0.0325338  0.0465397   0.0298395   62  SER   B OG   
2630 H H    . SER   B 50  ? 0.406571 0.470817 0.468061 -0.0402588  0.0579783   0.0480035   62  SER   B H    
2631 H HA   . SER   B 50  ? 0.425538 0.49068  0.528175 -0.0641881  0.0391922   0.0279522   62  SER   B HA   
2632 H HB2  . SER   B 50  ? 0.431587 0.539521 0.534961 -0.0463583  0.0290718   0.0154164   62  SER   B HB2  
2633 H HB3  . SER   B 50  ? 0.434455 0.512249 0.504741 -0.0354786  0.0346629   0.0234503   62  SER   B HB3  
2635 N N    . ASN   B 51  ? 0.446896 0.585233 0.599375 -0.0748882  0.0676871   0.0452377   63  ASN   B N    
2636 C CA   . ASN   B 51  ? 0.602834 0.778586 0.800445 -0.0921469  0.0749075   0.0457249   63  ASN   B CA   
2637 C C    . ASN   B 51  ? 0.746263 0.901168 0.960043 -0.116968   0.0847541   0.055281    63  ASN   B C    
2638 O O    . ASN   B 51  ? 0.663329 0.848211 0.918854 -0.135919   0.0930316   0.05668     63  ASN   B O    
2639 C CB   . ASN   B 51  ? 0.591988 0.80467  0.79666  -0.0815661  0.0916478   0.0540907   63  ASN   B CB   
2640 C CG   . ASN   B 51  ? 0.65488  0.840533 0.825012 -0.0757446  0.109802    0.0714437   63  ASN   B CG   
2641 O OD1  . ASN   B 51  ? 0.655771 0.802504 0.810842 -0.0864469  0.112006    0.0801969   63  ASN   B OD1  
2642 N ND2  . ASN   B 51  ? 0.6718   0.876024 0.827206 -0.0571668  0.121481    0.0755969   63  ASN   B ND2  
2643 H H    . ASN   B 51  ? 0.48715  0.619136 0.618993 -0.064333   0.0747272   0.0522189   63  ASN   B H    
2644 H HA   . ASN   B 51  ? 0.573684 0.766666 0.788699 -0.0942458  0.0626194   0.0336683   63  ASN   B HA   
2645 H HB2  . ASN   B 51  ? 0.60814  0.850476 0.847347 -0.0935805  0.0974555   0.0542622   63  ASN   B HB2  
2646 H HB3  . ASN   B 51  ? 0.591314 0.815707 0.787784 -0.0657354  0.0847259   0.0475559   63  ASN   B HB3  
2647 H HD21 . ASN   B 51  ? 0.680429 0.866777 0.808742 -0.050427   0.129466    0.0835781   63  ASN   B HD21 
2648 H HD22 . ASN   B 51  ? 0.656601 0.890465 0.82834  -0.0505471  0.120738    0.069793    63  ASN   B HD22 
2649 N N    . GLY   B 52  ? 0.772229 0.876672 0.954575 -0.116397   0.0846662   0.0628165   64  GLY   B N    
2650 C CA   . GLY   B 52  ? 0.654185 0.724892 0.845076 -0.13697    0.0892632   0.0704854   64  GLY   B CA   
2651 C C    . GLY   B 52  ? 0.732128 0.788655 0.911203 -0.142704   0.113019    0.0954283   64  GLY   B C    
2652 O O    . GLY   B 52  ? 0.930023 0.968977 1.12768  -0.165009   0.121743    0.104255    64  GLY   B O    
2653 H H    . GLY   B 52  ? 0.719926 0.809751 0.874394 -0.101712   0.0811776   0.0632138   64  GLY   B H    
2654 H HA2  . GLY   B 52  ? 0.696654 0.736436 0.869093 -0.131972   0.0795069   0.0664771   64  GLY   B HA2  
2655 H HA3  . GLY   B 52  ? 0.697823 0.783375 0.920484 -0.152523   0.0858074   0.0626289   64  GLY   B HA3  
2656 N N    . LYS   B 53  ? 0.820954 0.880186 0.966407 -0.123784   0.124155    0.107331    65  LYS   B N    
2657 C CA   . LYS   B 53  ? 0.832345 0.886907 0.967478 -0.130104   0.14996     0.131085    65  LYS   B CA   
2658 C C    . LYS   B 53  ? 0.908954 0.906597 0.995149 -0.122258   0.152036    0.148483    65  LYS   B C    
2659 O O    . LYS   B 53  ? 1.00519  0.989459 1.0776   -0.129394   0.17345     0.17088     65  LYS   B O    
2660 C CB   . LYS   B 53  ? 0.793528 0.895679 0.930476 -0.117971   0.165953    0.133513    65  LYS   B CB   
2661 H H    . LYS   B 53  ? 0.775442 0.83784  0.902988 -0.107495   0.11634     0.10078     65  LYS   B H    
2662 H HA   . LYS   B 53  ? 0.852151 0.912691 1.01756  -0.150528   0.157302    0.134396    65  LYS   B HA   
2665 N N    . LYS   B 54  ? 0.893193 0.858064 0.954159 -0.107956   0.130751    0.139455    66  LYS   B N    
2666 C CA   . LYS   B 54  ? 0.747378 0.660036 0.767236 -0.0982359  0.126777    0.15291     66  LYS   B CA   
2667 C C    . LYS   B 54  ? 0.704345 0.593819 0.728676 -0.0932895  0.102359    0.135428    66  LYS   B C    
2668 O O    . LYS   B 54  ? 0.802143 0.716574 0.836179 -0.0853871  0.0896886   0.115892    66  LYS   B O    
2669 C CB   . LYS   B 54  ? 0.755081 0.666141 0.727262 -0.0725098  0.126268    0.157964    66  LYS   B CB   
2670 H H    . LYS   B 54  ? 0.817971 0.795372 0.888624 -0.103211   0.117765    0.123907    66  LYS   B H    
2671 H HA   . LYS   B 54  ? 0.807924 0.701555 0.828204 -0.110287   0.138444    0.167967    66  LYS   B HA   
2674 N N    A PHE   B 55  ? 0.716788 0.56045  0.736    -0.0984474  0.0980856   0.142634    67  PHE   B N    
2675 N N    B PHE   B 55  ? 0.717261 0.559442 0.729732 -0.0947012  0.0975792   0.143861    67  PHE   B N    
2676 C CA   A PHE   B 55  ? 0.737043 0.55659  0.764862 -0.0951438  0.0784459   0.126248    67  PHE   B CA   
2677 C CA   B PHE   B 55  ? 0.732433 0.550503 0.757688 -0.0945585  0.0793192   0.128095    67  PHE   B CA   
2678 C C    A PHE   B 55  ? 0.713804 0.487251 0.706266 -0.0771421  0.0701794   0.13736     67  PHE   B C    
2679 C C    B PHE   B 55  ? 0.715055 0.487277 0.705829 -0.0764584  0.0702209   0.138169    67  PHE   B C    
2680 O O    A PHE   B 55  ? 0.802393 0.535849 0.781682 -0.0823404  0.0779319   0.157108    67  PHE   B O    
2681 O O    B PHE   B 55  ? 0.79537  0.527653 0.771204 -0.0807553  0.0780073   0.158494    67  PHE   B O    
2682 C CB   A PHE   B 55  ? 0.73884  0.54626  0.803183 -0.119821   0.0794684   0.119831    67  PHE   B CB   
2683 C CB   B PHE   B 55  ? 0.732229 0.536486 0.792239 -0.120544   0.0835097   0.125878    67  PHE   B CB   
2684 C CG   A PHE   B 55  ? 0.756646 0.569383 0.842037 -0.119339   0.0609483   0.0917695   67  PHE   B CG   
2685 C CG   B PHE   B 55  ? 0.761313 0.611697 0.861536 -0.141458   0.0918535   0.117515    67  PHE   B CG   
2686 C CD1  A PHE   B 55  ? 0.751223 0.55032  0.819297 -0.0983531  0.0456972   0.0803839   67  PHE   B CD1  
2687 C CD1  B PHE   B 55  ? 0.733463 0.606716 0.863501 -0.147626   0.0774933   0.0917189   67  PHE   B CD1  
2688 C CD2  A PHE   B 55  ? 0.748151 0.585664 0.870592 -0.138969   0.0590145   0.075646    67  PHE   B CD2  
2689 C CD2  B PHE   B 55  ? 0.731701 0.60271  0.840862 -0.154904   0.11397     0.135274    67  PHE   B CD2  
2690 C CE1  A PHE   B 55  ? 0.812089 0.619797 0.895973 -0.0972393  0.0325742   0.0553175   67  PHE   B CE1  
2691 C CE1  B PHE   B 55  ? 0.715572 0.632801 0.883814 -0.165187   0.0815865   0.0833773   67  PHE   B CE1  
2692 C CE2  A PHE   B 55  ? 0.711975 0.55504  0.846034 -0.136528   0.042519    0.0497225   67  PHE   B CE2  
2693 C CE2  B PHE   B 55  ? 0.710154 0.62851  0.863072 -0.173238   0.120036    0.126209    67  PHE   B CE2  
2694 C CZ   A PHE   B 55  ? 0.75449  0.581384 0.867575 -0.115733   0.0310802   0.0404191   67  PHE   B CZ   
2695 C CZ   B PHE   B 55  ? 0.681544 0.623408 0.864084 -0.177586   0.102113    0.100056    67  PHE   B CZ   
2696 H H    A PHE   B 55  ? 0.763111 0.587855 0.771416 -0.103608   0.109263    0.15958     67  PHE   B H    
2697 H H    B PHE   B 55  ? 0.761342 0.583595 0.75469  -0.0945658  0.10699     0.161095    67  PHE   B H    
2698 H HA   A PHE   B 55  ? 0.683676 0.525411 0.716557 -0.0874563  0.0689779   0.110654    67  PHE   B HA   
2699 H HA   B PHE   B 55  ? 0.680413 0.520271 0.713721 -0.0883943  0.0694886   0.11146     67  PHE   B HA   
2700 H HB2  A PHE   B 55  ? 0.748327 0.580055 0.831766 -0.133895   0.090176    0.122538    67  PHE   B HB2  
2701 H HB2  B PHE   B 55  ? 0.787518 0.562552 0.837285 -0.126171   0.0925254   0.143081    67  PHE   B HB2  
2702 H HB3  A PHE   B 55  ? 0.789796 0.560051 0.844865 -0.123105   0.0825799   0.13194     67  PHE   B HB3  
2703 H HB3  B PHE   B 55  ? 0.743925 0.533591 0.810461 -0.118217   0.0708267   0.11249     67  PHE   B HB3  
2704 H HD1  A PHE   B 55  ? 0.774397 0.560488 0.819835 -0.0845437  0.0446051   0.0894777   67  PHE   B HD1  
2705 H HD1  B PHE   B 55  ? 0.722529 0.582878 0.846108 -0.138795   0.0646954   0.0796814   67  PHE   B HD1  
2706 H HD2  A PHE   B 55  ? 0.750791 0.602692 0.890369 -0.153928   0.0689908   0.0820827   67  PHE   B HD2  
2707 H HD2  B PHE   B 55  ? 0.767787 0.622333 0.852987 -0.150568   0.124925    0.153395    67  PHE   B HD2  
2708 H HE1  A PHE   B 55  ? 0.769486 0.56984  0.843758 -0.0836047  0.0244958   0.0481562   67  PHE   B HE1  
2709 H HE1  B PHE   B 55  ? 0.685869 0.618317 0.870263 -0.16757    0.07019     0.0658698   67  PHE   B HE1  
2710 H HE2  A PHE   B 55  ? 0.722867 0.582026 0.879457 -0.149229   0.0395543   0.038364    67  PHE   B HE2  
2711 H HE2  B PHE   B 55  ? 0.72455  0.661021 0.886354 -0.181699   0.136419    0.137895    67  PHE   B HE2  
2712 H HZ   A PHE   B 55  ? 0.741052 0.571828 0.860064 -0.113859   0.0220977   0.0233904   67  PHE   B HZ   
2713 H HZ   B PHE   B 55  ? 0.681823 0.657603 0.89459  -0.188921   0.104145    0.0934656   67  PHE   B HZ   
2714 N N    . ASP   B 56  ? 0.68952  0.468316 0.668514 -0.0559611  0.0536465   0.124492    68  ASP   B N    
2715 C CA   . ASP   B 56  ? 0.636996 0.385021 0.584722 -0.0342748  0.0420824   0.131965    68  ASP   B CA   
2716 C C    . ASP   B 56  ? 0.726457 0.461795 0.692168 -0.0272368  0.0252732   0.11301     68  ASP   B C    
2717 O O    . ASP   B 56  ? 0.632075 0.396286 0.619491 -0.0284075  0.0190258   0.0910864   68  ASP   B O    
2718 C CB   . ASP   B 56  ? 0.618982 0.390493 0.540605 -0.0156164  0.0362901   0.130148    68  ASP   B CB   
2719 C CG   . ASP   B 56  ? 0.706156 0.457891 0.601606 0.00840333  0.0185498   0.131442    68  ASP   B CG   
2720 O OD1  . ASP   B 56  ? 0.772197 0.484354 0.645843 0.0155663   0.0169838   0.14915     68  ASP   B OD1  
2721 O OD2  . ASP   B 56  ? 0.636713 0.4109   0.537795 0.0195984   0.00483781  0.113821    68  ASP   B OD2  
2722 H H    A ASP   B 56  ? 0.635795 0.440414 0.627223 -0.0551528  0.0489996   0.110013    68  ASP   B H    
2723 H H    B ASP   B 56  ? 0.635934 0.440411 0.627891 -0.0554667  0.0490233   0.109894    68  ASP   B H    
2724 H HA   . ASP   B 56  ? 0.710235 0.429933 0.642581 -0.0358197  0.0484167   0.149475    68  ASP   B HA   
2725 H HB2  . ASP   B 56  ? 0.646445 0.422805 0.552729 -0.0180323  0.0478107   0.142453    68  ASP   B HB2  
2726 H HB3  . ASP   B 56  ? 0.596301 0.394708 0.533541 -0.0168612  0.0329398   0.114847    68  ASP   B HB3  
2727 N N    . SER   B 57  ? 0.752355 0.443437 0.705789 -0.0174104  0.0185186   0.12223     69  SER   B N    
2728 C CA   . SER   B 57  ? 0.785798 0.461379 0.757117 -0.00864337 0.00452036  0.104368    69  SER   B CA   
2729 C C    . SER   B 57  ? 0.790032 0.434987 0.738005 0.0174133   -0.00915333 0.113535    69  SER   B C    
2730 O O    . SER   B 57  ? 0.823781 0.433291 0.74202  0.022392    -0.00592231 0.138375    69  SER   B O    
2731 C CB   . SER   B 57  ? 0.880425 0.527547 0.873961 -0.0269625  0.0094675   0.0998253   69  SER   B CB   
2732 O OG   . SER   B 57  ? 0.877077 0.503598 0.881243 -0.0132401  -0.00376922 0.0830774   69  SER   B OG   
2733 H H    . SER   B 57  ? 0.797135 0.466462 0.72942  -0.0148258  0.023048    0.140121    69  SER   B H    
2734 H HA   . SER   B 57  ? 0.744774 0.450033 0.729009 -0.00609935 -0.0003278  0.0875373   69  SER   B HA   
2735 H HB2  . SER   B 57  ? 0.834272 0.50566  0.845569 -0.0416167  0.014557    0.0902195   69  SER   B HB2  
2736 H HB3  . SER   B 57  ? 0.898297 0.516607 0.881068 -0.033374   0.0167291   0.117482    69  SER   B HB3  
2738 N N    . SER   B 58  ? 0.7408   0.404891 0.701681 0.0346775   -0.0240268  0.0937763   70  SER   B N    
2739 C CA   . SER   B 58  ? 0.743385 0.386483 0.694317 0.0615287   -0.0405773  0.0958532   70  SER   B CA   
2740 C C    . SER   B 58  ? 0.829617 0.41318  0.774695 0.0646843   -0.0408012  0.107751    70  SER   B C    
2741 O O    . SER   B 58  ? 0.871619 0.420619 0.790017 0.0842908   -0.0497603  0.125813    70  SER   B O    
2742 C CB   . SER   B 58  ? 0.718172 0.395354 0.697398 0.0741132   -0.0521385  0.0690022   70  SER   B CB   
2743 O OG   . SER   B 58  ? 0.609058 0.292005 0.616807 0.0614635   -0.0456834  0.0490102   70  SER   B OG   
2744 H H    . SER   B 58  ? 0.703611 0.396462 0.681158 0.0297514   -0.0235965  0.0785426   70  SER   B H    
2745 H HA   . SER   B 58  ? 0.766915 0.412044 0.694823 0.0704547   -0.04418    0.107816    70  SER   B HA   
2746 H HB2  . SER   B 58  ? 0.71427  0.378478 0.691801 0.0925046   -0.0633249  0.0694501   70  SER   B HB2  
2747 H HB3  . SER   B 58  ? 0.662002 0.371175 0.640777 0.0738545   -0.053303   0.0645763   70  SER   B HB3  
2749 N N    . HIS   B 59  ? 0.840079 0.408794 0.808017 0.0459589   -0.0322349  0.0973208   71  HIS   B N    
2750 C CA   . HIS   B 59  ? 0.826766 0.33281  0.791711 0.0444454   -0.0311417  0.106328    71  HIS   B CA   
2751 C C    . HIS   B 59  ? 0.88511  0.346024 0.813327 0.0436298   -0.0243854  0.141739    71  HIS   B C    
2752 O O    . HIS   B 59  ? 0.976461 0.382768 0.887648 0.0590511   -0.03104    0.155169    71  HIS   B O    
2753 C CB   . HIS   B 59  ? 0.85332  0.352909 0.846636 0.0180827   -0.0220855  0.0893998   71  HIS   B CB   
2754 C CG   . HIS   B 59  ? 0.821609 0.353821 0.842158 0.0250247   -0.0297472  0.055482    71  HIS   B CG   
2755 N ND1  . HIS   B 59  ? 0.858416 0.378432 0.884869 0.0517962   -0.0422441  0.0416835   71  HIS   B ND1  
2756 C CD2  . HIS   B 59  ? 0.825379 0.407095 0.864714 0.0126193   -0.0261961  0.0348943   71  HIS   B CD2  
2757 C CE1  . HIS   B 59  ? 0.787752 0.346176 0.836534 0.0523126   -0.0431511  0.0133806   71  HIS   B CE1  
2758 N NE2  . HIS   B 59  ? 0.825917 0.418856 0.880158 0.0288777   -0.0341186  0.00972808  71  HIS   B NE2  
2759 H H    . HIS   B 59  ? 0.783369 0.379847 0.768415 0.0339785   -0.027762   0.0836544   71  HIS   B H    
2760 H HA   . HIS   B 59  ? 0.859189 0.354715 0.827611 0.0643384   -0.0426359  0.0982817   71  HIS   B HA   
2761 H HB2  . HIS   B 59  ? 0.830209 0.349155 0.826186 -0.00112323 -0.0118831  0.0939954   71  HIS   B HB2  
2762 H HB3  . HIS   B 59  ? 0.894407 0.348186 0.884559 0.0157059   -0.0212363  0.096164    71  HIS   B HB3  
2764 H HD2  . HIS   B 59  ? 0.791763 0.394145 0.833872 -0.00400792 -0.019021   0.0370399   71  HIS   B HD2  
2765 H HE1  . HIS   B 59  ? 0.813052 0.373595 0.871516 0.0680017   -0.0488625  -0.00121597 71  HIS   B HE1  
2767 N N    . ASP   B 60  ? 0.918649 0.401295 0.831869 0.0277575   -0.0104417  0.157688    72  ASP   B N    
2768 C CA   . ASP   B 60  ? 1.08641  0.529563 0.960458 0.0256239   0.00045196  0.192938    72  ASP   B CA   
2769 C C    . ASP   B 60  ? 1.15321  0.576095 0.986645 0.0603593   -0.0161133  0.208332    72  ASP   B C    
2770 O O    . ASP   B 60  ? 1.13549  0.507806 0.930442 0.0658988   -0.0114882  0.238472    72  ASP   B O    
2771 C CB   . ASP   B 60  ? 1.17804  0.657238 1.04547  0.00447802  0.0202574   0.20387     72  ASP   B CB   
2772 C CG   . ASP   B 60  ? 1.25672  0.754204 1.16302  -0.0302448  0.0366887   0.193756    72  ASP   B CG   
2773 O OD1  . ASP   B 60  ? 1.38608  0.876675 1.32561  -0.0382046  0.0300203   0.171935    72  ASP   B OD1  
2774 O OD2  . ASP   B 60  ? 1.28966  0.808979 1.19266  -0.048036   0.0555754   0.206874    72  ASP   B OD2  
2775 H H    . ASP   B 60  ? 0.885535 0.407824 0.811781 0.018546    -0.00657398 0.146944    72  ASP   B H    
2776 H HA   . ASP   B 60  ? 1.12525  0.528032 1.00259  0.0151232   0.00645562  0.200579    72  ASP   B HA   
2777 H HB2  . ASP   B 60  ? 1.13034  0.648073 0.996011 0.0134781   0.0145182   0.194288    72  ASP   B HB2  
2778 H HB3  . ASP   B 60  ? 1.21379  0.667683 1.05143  0.00550202  0.0283044   0.227772    72  ASP   B HB3  
2779 N N    . ARG   B 61  ? 1.1563   0.618849 0.997961 0.0834786   -0.0357382  0.188195    73  ARG   B N    
2780 C CA   . ARG   B 61  ? 1.15202  0.601658 0.963083 0.117996    -0.0566685  0.197546    73  ARG   B CA   
2781 C C    . ARG   B 61  ? 1.1724   0.593824 1.00255  0.140958    -0.0746345  0.185718    73  ARG   B C    
2782 O O    . ARG   B 61  ? 1.15173  0.565149 0.965043 0.172983    -0.0956365  0.189919    73  ARG   B O    
2783 C CB   . ARG   B 61  ? 1.05893  0.569363 0.867231 0.127136    -0.0665792  0.184544    73  ARG   B CB   
2784 H H    . ARG   B 61  ? 1.08172  0.581041 0.94897  0.0771994   -0.0362746  0.168418    73  ARG   B H    
2785 H HA   . ARG   B 61  ? 1.19994  0.616463 0.976137 0.11995     -0.0514773  0.222153    73  ARG   B HA   
2788 N N    . ASN   B 62  ? 1.14031  0.547221 1.00538  0.126028    -0.0672438  0.169616    74  ASN   B N    
2789 C CA   . ASN   B 62  ? 1.08574  0.460874 0.969797 0.146254    -0.0802917  0.156217    74  ASN   B CA   
2790 C C    . ASN   B 62  ? 1.04449  0.462581 0.94856  0.177864    -0.102167   0.134388    74  ASN   B C    
2791 O O    . ASN   B 62  ? 1.10619  0.495699 1.01411  0.206311    -0.117254   0.131453    74  ASN   B O    
2792 C CB   . ASN   B 62  ? 1.19259  0.486458 1.04188  0.161018    -0.0838458  0.184957    74  ASN   B CB   
2793 C CG   . ASN   B 62  ? 1.20472  0.450799 1.03903  0.127859    -0.0605802  0.207383    74  ASN   B CG   
2794 O OD1  . ASN   B 62  ? 1.21922  0.453892 1.08387  0.103085    -0.0496026  0.192273    74  ASN   B OD1  
2795 N ND2  . ASN   B 62  ? 1.28309  0.505249 1.07209  0.125359    -0.0521046  0.241929    74  ASN   B ND2  
2796 H H    . ASN   B 62  ? 1.10176  0.520282 0.97938  0.10282     -0.0538162  0.165471    74  ASN   B H    
2797 H HA   . ASN   B 62  ? 1.08423  0.459306 0.992731 0.130178    -0.0723183  0.141414    74  ASN   B HA   
2798 H HB2  . ASN   B 62  ? 1.2077   0.499882 1.02929  0.179066    -0.0931737  0.200053    74  ASN   B HB2  
2799 H HB3  . ASN   B 62  ? 1.20355  0.476584 1.06745  0.175674    -0.0926502  0.173796    74  ASN   B HB3  
2800 H HD21 . ASN   B 62  ? 1.31874  0.497427 1.09402  0.113403    -0.0411153  0.259794    74  ASN   B HD21 
2801 H HD22 . ASN   B 62  ? 1.25937  0.508169 1.03088  0.135317    -0.0568676  0.247108    74  ASN   B HD22 
2802 N N    . GLU   B 63  ? 1.06256  0.549471 0.983703 0.172693    -0.103413   0.117619    75  GLU   B N    
2803 C CA   . GLU   B 63  ? 1.03044  0.564326 0.977182 0.197611    -0.121906   0.0962054   75  GLU   B CA   
2804 C C    . GLU   B 63  ? 0.904854 0.504178 0.881199 0.177339    -0.112882   0.0729834   75  GLU   B C    
2805 O O    . GLU   B 63  ? 0.79682  0.408897 0.76129  0.152069    -0.0986832  0.0795374   75  GLU   B O    
2806 C CB   . GLU   B 63  ? 1.04488  0.58389  0.962137 0.223484    -0.142201   0.111805    75  GLU   B CB   
2807 H H    . GLU   B 63  ? 1.01252  0.517366 0.930957 0.152729    -0.0920738  0.119457    75  GLU   B H    
2808 H HA   . GLU   B 63  ? 1.03336  0.553323 0.998048 0.210624    -0.126896   0.0857071   75  GLU   B HA   
2811 N N    . PRO   B 64  ? 0.862006 0.504737 0.877892 0.187365    -0.118931   0.0457534   76  PRO   B N    
2812 C CA   . PRO   B 64  ? 0.752899 0.454117 0.791515 0.169174    -0.110384   0.0273612   76  PRO   B CA   
2813 C C    . PRO   B 64  ? 0.727754 0.458238 0.747648 0.16631     -0.116563   0.03638     76  PRO   B C    
2814 O O    . PRO   B 64  ? 0.749583 0.46866  0.7462   0.18535     -0.132786   0.0503016   76  PRO   B O    
2815 C CB   . PRO   B 64  ? 0.783039 0.521494 0.864014 0.185563    -0.116739   0.00106855  76  PRO   B CB   
2816 C CG   . PRO   B 64  ? 0.81765  0.510308 0.901089 0.208827    -0.123943   0.00173989  76  PRO   B CG   
2817 C CD   . PRO   B 64  ? 0.891393 0.530518 0.931946 0.21722     -0.132796   0.032203    76  PRO   B CD   
2818 H HA   . PRO   B 64  ? 0.75308  0.449358 0.792367 0.149665    -0.0966976  0.0251939   76  PRO   B HA   
2819 H HB2  . PRO   B 64  ? 0.755503 0.523293 0.844127 0.195633    -0.127515   -0.00173368 76  PRO   B HB2  
2820 H HB3  . PRO   B 64  ? 0.733571 0.492265 0.830749 0.171748    -0.105262   -0.0125816  76  PRO   B HB3  
2821 H HG2  . PRO   B 64  ? 0.826034 0.539753 0.931804 0.228343    -0.133565   -0.00975772 76  PRO   B HG2  
2822 H HG3  . PRO   B 64  ? 0.82759  0.503077 0.916293 0.199183    -0.113148   -0.00552492 76  PRO   B HG3  
2823 H HD2  . PRO   B 64  ? 0.90014  0.548394 0.936431 0.2364      -0.148103   0.0369193   76  PRO   B HD2  
2824 H HD3  . PRO   B 64  ? 0.92464  0.520357 0.95843  0.221562    -0.131015   0.0372272   76  PRO   B HD3  
2825 N N    . PHE   B 65  ? 0.657177 0.419317 0.681848 0.143024    -0.103797   0.0293935   77  PHE   B N    
2826 C CA   . PHE   B 65  ? 0.614956 0.403935 0.622959 0.137687    -0.107268   0.0338      77  PHE   B CA   
2827 C C    . PHE   B 65  ? 0.616913 0.456744 0.659635 0.143398    -0.116618   0.0114374   77  PHE   B C    
2828 O O    . PHE   B 65  ? 0.521594 0.384667 0.597546 0.136038    -0.107458   -0.00668132 77  PHE   B O    
2829 C CB   . PHE   B 65  ? 0.618138 0.409866 0.61185  0.111349    -0.0883983  0.0395187   77  PHE   B CB   
2830 C CG   . PHE   B 65  ? 0.582159 0.401024 0.560087 0.10725     -0.091227   0.040009    77  PHE   B CG   
2831 C CD1  . PHE   B 65  ? 0.68795  0.490122 0.625514 0.115474    -0.0975727  0.0578297   77  PHE   B CD1  
2832 C CD2  . PHE   B 65  ? 0.595502 0.453012 0.595848 0.0958918   -0.0871582  0.0223511   77  PHE   B CD2  
2833 C CE1  . PHE   B 65  ? 0.642116 0.466482 0.562832 0.113606    -0.101454   0.0549635   77  PHE   B CE1  
2834 C CE2  . PHE   B 65  ? 0.606767 0.482814 0.592032 0.0927137   -0.0907851  0.0213302   77  PHE   B CE2  
2835 C CZ   . PHE   B 65  ? 0.598413 0.45849  0.544701 0.101632    -0.0982649  0.0359729   77  PHE   B CZ   
2836 H H    . PHE   B 65  ? 0.638853 0.404711 0.676673 0.130553    -0.0928287  0.0208019   77  PHE   B H    
2837 H HA   . PHE   B 65  ? 0.663768 0.435519 0.647301 0.149526    -0.116975   0.0473662   77  PHE   B HA   
2838 H HB2  . PHE   B 65  ? 0.633508 0.395279 0.607739 0.107492    -0.0824029  0.0544446   77  PHE   B HB2  
2839 H HB3  . PHE   B 65  ? 0.58208  0.386378 0.596333 0.100709    -0.0796484  0.0276226   77  PHE   B HB3  
2840 H HD1  . PHE   B 65  ? 0.69804  0.471358 0.617258 0.12334     -0.0994899  0.0718402   77  PHE   B HD1  
2841 H HD2  . PHE   B 65  ? 0.565142 0.433996 0.589105 0.0907355   -0.0817863  0.0110348   77  PHE   B HD2  
2842 H HE1  . PHE   B 65  ? 0.677519 0.489754 0.56733  0.120276    -0.105375   0.0662477   77  PHE   B HE1  
2843 H HE2  . PHE   B 65  ? 0.563659 0.461681 0.563518 0.084433    -0.0875661  0.0102309   77  PHE   B HE2  
2844 H HZ   . PHE   B 65  ? 0.602389 0.473874 0.537326 0.0999492   -0.100907   0.0331483   77  PHE   B HZ   
2845 N N    . VAL   B 66  ? 0.613516 0.46876  0.647859 0.15833     -0.136152   0.0129469   78  VAL   B N    
2846 C CA   . VAL   B 66  ? 0.619908 0.521924 0.693624 0.167258    -0.14943    -0.00781327 78  VAL   B CA   
2847 C C    . VAL   B 66  ? 0.578173 0.507047 0.642674 0.155537    -0.153759   -0.0118334  78  VAL   B C    
2848 O O    . VAL   B 66  ? 0.640144 0.548879 0.66222  0.15874     -0.160679   0.00284611  78  VAL   B O    
2849 C CB   . VAL   B 66  ? 0.670707 0.570296 0.752261 0.198853    -0.174081   -0.00732724 78  VAL   B CB   
2850 C CG1  . VAL   B 66  ? 0.674378 0.631045 0.802262 0.206598    -0.189302   -0.0296482  78  VAL   B CG1  
2851 C CG2  . VAL   B 66  ? 0.691153 0.558358 0.782189 0.21178     -0.1689     -0.00505753 78  VAL   B CG2  
2852 H H    . VAL   B 66  ? 0.647273 0.484596 0.651335 0.162386    -0.14105    0.0266537   78  VAL   B H    
2853 H HA   . VAL   B 66  ? 0.587702 0.505501 0.68905  0.160092    -0.139129   -0.0200729  78  VAL   B HA   
2854 H HB   . VAL   B 66  ? 0.702745 0.582363 0.750773 0.206584    -0.184035   0.00668996  78  VAL   B HB   
2855 H HG11 . VAL   B 66  ? 0.633785 0.61346  0.789515 0.193329    -0.175953   -0.0422952  78  VAL   B HG11 
2856 H HG12 . VAL   B 66  ? 0.666426 0.635118 0.782414 0.204129    -0.199273   -0.0292881  78  VAL   B HG12 
2857 H HG13 . VAL   B 66  ? 0.687833 0.646329 0.829909 0.227413    -0.202428   -0.0320268  78  VAL   B HG13 
2858 H HG21 . VAL   B 66  ? 0.716604 0.585454 0.816877 0.233786    -0.184845   -0.00653798 78  VAL   B HG21 
2859 H HG22 . VAL   B 66  ? 0.713905 0.542442 0.774932 0.207473    -0.162082   0.010598    78  VAL   B HG22 
2860 H HG23 . VAL   B 66  ? 0.665778 0.548602 0.783216 0.202688    -0.15653    -0.0181983  78  VAL   B HG23 
2861 N N    . PHE   B 67  ? 0.591128 0.560885 0.691471 0.141702    -0.147965   -0.03086    79  PHE   B N    
2862 C CA   . PHE   B 67  ? 0.471487 0.46131  0.563627 0.129186    -0.152194   -0.0362118  79  PHE   B CA   
2863 C C    . PHE   B 67  ? 0.501898 0.539658 0.645544 0.121343    -0.153518   -0.0585836  79  PHE   B C    
2864 O O    . PHE   B 67  ? 0.458859 0.51402  0.639362 0.121667    -0.144001   -0.0682232  79  PHE   B O    
2865 C CB   . PHE   B 67  ? 0.468957 0.442081 0.532228 0.108246    -0.132455   -0.0280634  79  PHE   B CB   
2866 C CG   . PHE   B 67  ? 0.421699 0.408466 0.510562 0.0891207   -0.110503   -0.0372217  79  PHE   B CG   
2867 C CD1  . PHE   B 67  ? 0.478855 0.449708 0.572544 0.0878773   -0.0966987  -0.0337969  79  PHE   B CD1  
2868 C CD2  . PHE   B 67  ? 0.390054 0.399496 0.491699 0.0722915   -0.103545   -0.0480007  79  PHE   B CD2  
2869 C CE1  . PHE   B 67  ? 0.379901 0.360891 0.488378 0.072254    -0.0782053  -0.0416266  79  PHE   B CE1  
2870 C CE2  . PHE   B 67  ? 0.40316  0.419456 0.518519 0.0566314   -0.0831488  -0.0528325  79  PHE   B CE2  
2871 C CZ   . PHE   B 67  ? 0.386952 0.391772 0.506192 0.0579296   -0.0714756  -0.0505372  79  PHE   B CZ   
2872 H H    . PHE   B 67  ? 0.536657 0.520027 0.66511  0.139871    -0.1408     -0.040514   79  PHE   B H    
2873 H HA   . PHE   B 67  ? 0.528458 0.512777 0.601195 0.140812    -0.168588   -0.031495   79  PHE   B HA   
2874 H HB2  . PHE   B 67  ? 0.464936 0.444407 0.516071 0.104796    -0.138482   -0.0302243  79  PHE   B HB2  
2875 H HB3  . PHE   B 67  ? 0.481044 0.426547 0.517757 0.11136     -0.128301   -0.0140137  79  PHE   B HB3  
2876 H HD1  . PHE   B 67  ? 0.466678 0.417607 0.551387 0.0981244   -0.100669   -0.0261498  79  PHE   B HD1  
2877 H HD2  . PHE   B 67  ? 0.405184 0.422833 0.503411 0.0716803   -0.113121   -0.0517252  79  PHE   B HD2  
2878 H HE1  . PHE   B 67  ? 0.403966 0.374355 0.515072 0.0721827   -0.0707624  -0.0414055  79  PHE   B HE1  
2879 H HE2  . PHE   B 67  ? 0.378453 0.40721  0.501166 0.0458154   -0.0783114  -0.0587775  79  PHE   B HE2  
2880 H HZ   . PHE   B 67  ? 0.368365 0.377864 0.493536 0.0484447   -0.0588376  -0.0543336  79  PHE   B HZ   
2881 N N    . SER   B 68  ? 0.50506  0.563556 0.650517 0.114711    -0.165824   -0.0673867  80  SER   B N    
2882 C CA   . SER   B 68  ? 0.46084  0.564055 0.656679 0.102402    -0.165613   -0.0876863  80  SER   B CA   
2883 C C    . SER   B 68  ? 0.421193 0.51855  0.608264 0.0758269   -0.14287    -0.0879678  80  SER   B C    
2884 O O    . SER   B 68  ? 0.438751 0.513406 0.58675  0.0697004   -0.143699   -0.0809506  80  SER   B O    
2885 C CB   . SER   B 68  ? 0.477651 0.608727 0.688527 0.108925    -0.194649   -0.100497   80  SER   B CB   
2886 O OG   . SER   B 68  ? 0.533564 0.6673   0.746225 0.13749     -0.218656   -0.0981873  80  SER   B OG   
2887 H H    . SER   B 68  ? 0.515859 0.559542 0.630476 0.117283    -0.173833   -0.0608913  80  SER   B H    
2888 H HA   . SER   B 68  ? 0.453576 0.572418 0.680103 0.106707    -0.160168   -0.0931937  80  SER   B HA   
2889 H HB2  . SER   B 68  ? 0.493605 0.609329 0.673535 0.104047    -0.199295   -0.0973003  80  SER   B HB2  
2890 H HB3  . SER   B 68  ? 0.468007 0.630333 0.71794  0.0982629   -0.192296   -0.114059   80  SER   B HB3  
2892 N N    . LEU   B 69  ? 0.403142 0.520684 0.624336 0.0621575   -0.122928   -0.0960992  81  LEU   B N    
2893 C CA   . LEU   B 69  ? 0.341916 0.449387 0.550478 0.0397751   -0.101219   -0.0938111  81  LEU   B CA   
2894 C C    . LEU   B 69  ? 0.417922 0.535248 0.631046 0.0239192   -0.107539   -0.102537   81  LEU   B C    
2895 O O    . LEU   B 69  ? 0.392773 0.543269 0.645752 0.0207657   -0.118847   -0.117005   81  LEU   B O    
2896 C CB   . LEU   B 69  ? 0.374504 0.501375 0.615401 0.0324124   -0.0795821  -0.100169   81  LEU   B CB   
2897 C CG   . LEU   B 69  ? 0.440111 0.554683 0.665283 0.0128242   -0.0551191  -0.0958436  81  LEU   B CG   
2898 C CD1  . LEU   B 69  ? 0.475802 0.558653 0.664776 0.0163829   -0.0453935  -0.0835013  81  LEU   B CD1  
2899 C CD2  . LEU   B 69  ? 0.511948 0.65508  0.77331  0.00429967  -0.035796   -0.105527   81  LEU   B CD2  
2900 H H    . LEU   B 69  ? 0.388699 0.526335 0.640104 0.0680432   -0.122706   -0.102942   81  LEU   B H    
2901 H HA   . LEU   B 69  ? 0.374633 0.455054 0.549817 0.0408158   -0.0963373  -0.0826325  81  LEU   B HA   
2902 H HB2  . LEU   B 69  ? 0.381396 0.501618 0.621026 0.044301    -0.0786891  -0.0973148  81  LEU   B HB2  
2903 H HB3  . LEU   B 69  ? 0.376365 0.532821 0.652544 0.0304546   -0.0826392  -0.111065   81  LEU   B HB3  
2904 H HG   . LEU   B 69  ? 0.445672 0.555013 0.661007 0.00281426  -0.0569118  -0.095307   81  LEU   B HG   
2905 H HD11 . LEU   B 69  ? 0.471231 0.536483 0.637616 0.0225245   -0.0550917  -0.0761263  81  LEU   B HD11 
2906 H HD12 . LEU   B 69  ? 0.457874 0.534242 0.635575 0.00521113  -0.0330486  -0.0809606  81  LEU   B HD12 
2907 H HD13 . LEU   B 69  ? 0.464515 0.55059  0.663685 0.0239229   -0.0417995  -0.0856648  81  LEU   B HD13 
2908 H HD21 . LEU   B 69  ? 0.485637 0.647932 0.769194 -0.00560277 -0.0359864  -0.1122     81  LEU   B HD21 
2909 H HD22 . LEU   B 69  ? 0.486484 0.641618 0.765758 0.0161878   -0.0377878  -0.110111   81  LEU   B HD22 
2910 H HD23 . LEU   B 69  ? 0.48156  0.611873 0.725726 -0.00282331 -0.0209063  -0.100735   81  LEU   B HD23 
2911 N N    . GLY   B 70  ? 0.445441 0.533856 0.619303 0.0146168   -0.101618   -0.0949318  82  GLY   B N    
2912 C CA   . GLY   B 70  ? 0.504719 0.591955 0.676789 -0.00070455 -0.105769   -0.103308   82  GLY   B CA   
2913 C C    . GLY   B 70  ? 0.577216 0.663527 0.735514 0.00897488  -0.133865   -0.110409   82  GLY   B C    
2914 O O    . GLY   B 70  ? 0.67049  0.756915 0.831539 -0.00342691 -0.141233   -0.121624   82  GLY   B O    
2915 H H    . GLY   B 70  ? 0.447706 0.51569  0.595543 0.0183944   -0.0948715  -0.0846124  82  GLY   B H    
2916 H HA2  . GLY   B 70  ? 0.499128 0.56471  0.645638 -0.00665284 -0.0948035  -0.0964112  82  GLY   B HA2  
2917 H HA3  . GLY   B 70  ? 0.493476 0.601262 0.698541 -0.0122516  -0.100311   -0.111884   82  GLY   B HA3  
2918 N N    . LYS   B 71  ? 0.542753 0.625122 0.683442 0.0309567   -0.150308   -0.104402   83  LYS   B N    
2919 C CA   . LYS   B 71  ? 0.600285 0.683303 0.723717 0.0432798   -0.179305   -0.11134    83  LYS   B CA   
2920 C C    . LYS   B 71  ? 0.618705 0.662331 0.677225 0.0505063   -0.178696   -0.0993016  83  LYS   B C    
2921 O O    . LYS   B 71  ? 0.740517 0.775568 0.766654 0.0657448   -0.200087   -0.0999714  83  LYS   B O    
2922 C CB   . LYS   B 71  ? 0.65434  0.75958  0.799359 0.064901    -0.19978    -0.112831   83  LYS   B CB   
2923 H H    . LYS   B 71  ? 0.553041 0.629896 0.68965  0.0388886   -0.143625   -0.0954438  83  LYS   B H    
2924 H HA   . LYS   B 71  ? 0.60534  0.702258 0.748408 0.0320385   -0.186212   -0.12496    83  LYS   B HA   
2927 N N    . GLY   B 72  ? 0.685904 0.707548 0.724746 0.0409067   -0.153657   -0.0883262  84  GLY   B N    
2928 C CA   . GLY   B 72  ? 0.73728  0.727263 0.72138  0.0477388   -0.14756    -0.0761389  84  GLY   B CA   
2929 C C    . GLY   B 72  ? 0.669673 0.645013 0.621988 0.0670987   -0.150451   -0.0585652  84  GLY   B C    
2930 O O    . GLY   B 72  ? 0.70411  0.658527 0.609492 0.0759855   -0.151403   -0.0508694  84  GLY   B O    
2931 H H    . GLY   B 72  ? 0.64885  0.677169 0.709464 0.030417    -0.139829   -0.0886731  84  GLY   B H    
2932 H HA2  . GLY   B 72  ? 0.693551 0.675221 0.675353 0.0390496   -0.130031   -0.0711855  84  GLY   B HA2  
2933 H HA3  . GLY   B 72  ? 0.728478 0.713416 0.696742 0.0479323   -0.158135   -0.0845962  84  GLY   B HA3  
2934 N N    . GLN   B 73  ? 0.596844 0.579282 0.571575 0.0734731   -0.148912   -0.0511387  85  GLN   B N    
2935 C CA   . GLN   B 73  ? 0.61883  0.580026 0.563414 0.090046    -0.149766   -0.0322016  85  GLN   B CA   
2936 C C    . GLN   B 73  ? 0.594697 0.536985 0.526688 0.0817654   -0.123293   -0.0162904  85  GLN   B C    
2937 O O    . GLN   B 73  ? 0.595433 0.514901 0.494717 0.0892841   -0.117366   0.00138368  85  GLN   B O    
2938 C CB   . GLN   B 73  ? 0.643958 0.61695  0.617578 0.103429    -0.163621   -0.0331524  85  GLN   B CB   
2939 C CG   . GLN   B 73  ? 0.754841 0.752679 0.744452 0.113107    -0.192881   -0.0497347  85  GLN   B CG   
2940 C CD   . GLN   B 73  ? 0.74751  0.770037 0.782499 0.125242    -0.206283   -0.0567343  85  GLN   B CD   
2941 O OE1  . GLN   B 73  ? 0.61041  0.628636 0.664226 0.127478    -0.193238   -0.0501686  85  GLN   B OE1  
2942 N NE2  . GLN   B 73  ? 0.790778 0.840887 0.844903 0.134127    -0.233822   -0.0722158  85  GLN   B NE2  
2943 H H    . GLN   B 73  ? 0.591106 0.590298 0.600078 0.0673853   -0.14657    -0.0579796  85  GLN   B H    
2944 H HA   . GLN   B 73  ? 0.650225 0.600733 0.561862 0.0988697   -0.159285   -0.0292839  85  GLN   B HA   
2945 H HB2  . GLN   B 73  ? 0.632969 0.617019 0.637972 0.0957552   -0.153649   -0.0372475  85  GLN   B HB2  
2946 H HB3  . GLN   B 73  ? 0.679493 0.632891 0.630596 0.114105    -0.163602   -0.0192046  85  GLN   B HB3  
2947 H HG2  . GLN   B 73  ? 0.762319 0.746815 0.716809 0.124611    -0.204965   -0.0444598  85  GLN   B HG2  
2948 H HG3  . GLN   B 73  ? 0.715818 0.728022 0.720589 0.100576    -0.192572   -0.0625559  85  GLN   B HG3  
2949 H HE21 . GLN   B 73  ? 0.781847 0.849492 0.863721 0.143493    -0.243475   -0.0770017  85  GLN   B HE21 
2950 H HE22 . GLN   B 73  ? 0.792715 0.844512 0.832857 0.131057    -0.243194   -0.0786803  85  GLN   B HE22 
2951 N N    . VAL   B 74  ? 0.485538 0.438039 0.442823 0.0651739   -0.107181   -0.0226617  86  VAL   B N    
2952 C CA   . VAL   B 74  ? 0.488025 0.429159 0.439935 0.0566307   -0.0852755  -0.0113054  86  VAL   B CA   
2953 C C    . VAL   B 74  ? 0.429526 0.373703 0.376891 0.0444981   -0.0742045  -0.0169382  86  VAL   B C    
2954 O O    . VAL   B 74  ? 0.440128 0.392554 0.394048 0.0406698   -0.0819191  -0.0297504  86  VAL   B O    
2955 C CB   . VAL   B 74  ? 0.463722 0.41238  0.450275 0.0522365   -0.0781905  -0.0134096  86  VAL   B CB   
2956 C CG1  . VAL   B 74  ? 0.504723 0.441655 0.491214 0.0668286   -0.0877517  -0.00561796 86  VAL   B CG1  
2957 C CG2  . VAL   B 74  ? 0.449871 0.424241 0.473626 0.0435885   -0.0790238  -0.0308617  86  VAL   B CG2  
2958 H H    . VAL   B 74  ? 0.49531  0.46269  0.473799 0.0587775   -0.110267   -0.0344446  86  VAL   B H    
2959 H HA   . VAL   B 74  ? 0.494304 0.420428 0.422118 0.0623574   -0.0828145  0.00068456  86  VAL   B HA   
2960 H HB   . VAL   B 74  ? 0.458393 0.401038 0.441382 0.0452375   -0.065134   -0.00800087 86  VAL   B HB   
2961 H HG11 . VAL   B 74  ? 0.51048  0.455214 0.501231 0.0756114   -0.102315   -0.0109804  86  VAL   B HG11 
2962 H HG12 . VAL   B 74  ? 0.517366 0.435978 0.478823 0.0700733   -0.084698   0.00708202  86  VAL   B HG12 
2963 H HG13 . VAL   B 74  ? 0.488539 0.427706 0.495283 0.0646459   -0.0824199  -0.00810251 86  VAL   B HG13 
2964 H HG21 . VAL   B 74  ? 0.435417 0.414212 0.477272 0.0412866   -0.072145   -0.0324529  86  VAL   B HG21 
2965 H HG22 . VAL   B 74  ? 0.437991 0.413962 0.457543 0.0347171   -0.0728422  -0.0337461  86  VAL   B HG22 
2966 H HG23 . VAL   B 74  ? 0.455283 0.439759 0.488651 0.0494237   -0.0922884  -0.0375411  86  VAL   B HG23 
2967 N N    . ILE   B 75  ? 0.386941 0.324769 0.327216 0.0382303   -0.0569982  -0.0081793  87  ILE   B N    
2968 C CA   . ILE   B 75  ? 0.390505 0.328873 0.324306 0.0305356   -0.0467524  -0.0115092  87  ILE   B CA   
2969 C C    . ILE   B 75  ? 0.38732  0.337774 0.350797 0.0192671   -0.0444004  -0.0230558  87  ILE   B C    
2970 O O    . ILE   B 75  ? 0.381553 0.342531 0.371462 0.0166475   -0.0445538  -0.0262048  87  ILE   B O    
2971 C CB   . ILE   B 75  ? 0.419338 0.353864 0.343768 0.0282077   -0.0305154  0.00064933  87  ILE   B CB   
2972 C CG1  . ILE   B 75  ? 0.411381 0.350185 0.35988  0.0220177   -0.0248154  0.00388276  87  ILE   B CG1  
2973 C CG2  . ILE   B 75  ? 0.417658 0.341678 0.309595 0.0373499   -0.0270617  0.0130977   87  ILE   B CG2  
2974 C CD1  . ILE   B 75  ? 0.388313 0.328645 0.336601 0.0163245   -0.0111575  0.0122926   87  ILE   B CD1  
2975 H H    . ILE   B 75  ? 0.400653 0.333084 0.340372 0.0393184   -0.0520636  0.00024007  87  ILE   B H    
2976 H HA   . ILE   B 75  ? 0.412093 0.345551 0.328313 0.0346118   -0.052105   -0.0145787  87  ILE   B HA   
2977 H HB   . ILE   B 75  ? 0.400337 0.337103 0.324624 0.0243886   -0.025096   -0.00271463 87  ILE   B HB   
2978 H HG12 . ILE   B 75  ? 0.415655 0.349086 0.36442  0.0265908   -0.0300502  0.00755626  87  ILE   B HG12 
2979 H HG13 . ILE   B 75  ? 0.391904 0.337974 0.357297 0.017381    -0.0255896  -0.00422741 87  ILE   B HG13 
2980 H HG21 . ILE   B 75  ? 0.420575 0.347136 0.311213 0.034502    -0.0158949  0.0186479   87  ILE   B HG21 
2981 H HG22 . ILE   B 75  ? 0.436942 0.355421 0.32668  0.0407962   -0.0304147  0.0195459   87  ILE   B HG22 
2982 H HG23 . ILE   B 75  ? 0.439998 0.360239 0.314516 0.0428108   -0.0324     0.00878976  87  ILE   B HG23 
2983 H HD11 . ILE   B 75  ? 0.386145 0.331316 0.331132 0.0146617   -0.00696044 0.00980779  87  ILE   B HD11 
2984 H HD12 . ILE   B 75  ? 0.383574 0.32623  0.347751 0.0114942   -0.00943122 0.010728    87  ILE   B HD12 
2985 H HD13 . ILE   B 75  ? 0.406991 0.341397 0.342838 0.0193808   -0.00841815 0.0213811   87  ILE   B HD13 
2986 N N    . LYS   B 76  ? 0.350266 0.296497 0.306368 0.0138731   -0.0409173  -0.0285319  88  LYS   B N    
2987 C CA   . LYS   B 76  ? 0.366249 0.318694 0.344186 0.00187264  -0.0364669  -0.0370691  88  LYS   B CA   
2988 C C    . LYS   B 76  ? 0.346491 0.307499 0.340773 -0.00332312 -0.0244254  -0.0330486  88  LYS   B C    
2989 O O    . LYS   B 76  ? 0.344733 0.317495 0.363217 -0.0109171  -0.0213324  -0.0398107  88  LYS   B O    
2990 C CB   . LYS   B 76  ? 0.407023 0.343594 0.366166 -0.00133391 -0.0312576  -0.0386396  88  LYS   B CB   
2991 H H    . LYS   B 76  ? 0.376955 0.31454  0.312647 0.0180888   -0.0404196  -0.0264246  88  LYS   B H    
2992 H HA   . LYS   B 76  ? 0.3684   0.328639 0.361522 -0.00025168 -0.0446905  -0.0448471  88  LYS   B HA   
2995 N N    . ALA   B 77  ? 0.355372 0.312278 0.337259 -0.0001045  -0.0168548  -0.0234812  89  ALA   B N    
2996 C CA   . ALA   B 77  ? 0.341692 0.305192 0.33492  -0.00485778 -0.00760163 -0.0218952  89  ALA   B CA   
2997 C C    . ALA   B 77  ? 0.332092 0.304439 0.34776  -0.0045001  -0.0102306  -0.026699   89  ALA   B C    
2998 O O    . ALA   B 77  ? 0.319579 0.299509 0.348298 -0.00919702 -0.0033982  -0.0318462  89  ALA   B O    
2999 C CB   . ALA   B 77  ? 0.3485   0.309991 0.330734 -0.00262654 -0.00239104 -0.0132886  89  ALA   B CB   
3000 H H    . ALA   B 77  ? 0.359216 0.31018  0.325545 0.00494185  -0.0174774  -0.0186219  89  ALA   B H    
3001 H HA   . ALA   B 77  ? 0.340811 0.304747 0.335282 -0.00998337 -0.00275877 -0.0247125  89  ALA   B HA   
3002 H HB1  . ALA   B 77  ? 0.348182 0.306876 0.319178 -0.00176587 0.00042596  -0.0113485  89  ALA   B HB1  
3003 H HB2  . ALA   B 77  ? 0.351433 0.310132 0.32961  0.00140567  -0.00522075 -0.00877881 89  ALA   B HB2  
3004 H HB3  . ALA   B 77  ? 0.339188 0.30513  0.329635 -0.00583767 0.00109146  -0.0142933  89  ALA   B HB3  
3005 N N    . TRP   B 78  ? 0.336909 0.307874 0.355821 0.00304532  -0.0204681  -0.026041   90  TRP   B N    
3006 C CA   . TRP   B 78  ? 0.324504 0.30174  0.364976 0.00735661  -0.0243213  -0.0308223  90  TRP   B CA   
3007 C C    . TRP   B 78  ? 0.332119 0.327944 0.397706 0.00460155  -0.0266818  -0.043051   90  TRP   B C    
3008 O O    . TRP   B 78  ? 0.3424   0.349985 0.430107 0.00474368  -0.0218134  -0.0502231  90  TRP   B O    
3009 C CB   . TRP   B 78  ? 0.349515 0.31495  0.381351 0.0189222   -0.0351936  -0.0232468  90  TRP   B CB   
3010 C CG   . TRP   B 78  ? 0.342571 0.291685 0.364987 0.0192722   -0.0296065  -0.0128945  90  TRP   B CG   
3011 C CD1  . TRP   B 78  ? 0.368213 0.311648 0.378775 0.0119829   -0.0197688  -0.00545858 90  TRP   B CD1  
3012 C CD2  . TRP   B 78  ? 0.367432 0.303227 0.395964 0.027695    -0.0350963  -0.00961995 90  TRP   B CD2  
3013 N NE1  . TRP   B 78  ? 0.384591 0.31312  0.395546 0.0118956   -0.0179655  0.00182318  90  TRP   B NE1  
3014 C CE2  . TRP   B 78  ? 0.388054 0.307309 0.407172 0.0217998   -0.026997   0.00022616  90  TRP   B CE2  
3015 C CE3  . TRP   B 78  ? 0.389006 0.325376 0.431921 0.040275    -0.0465733  -0.0144197  90  TRP   B CE3  
3016 C CZ2  . TRP   B 78  ? 0.389599 0.286979 0.411296 0.0257929   -0.0287816  0.00555638  90  TRP   B CZ2  
3017 C CZ3  . TRP   B 78  ? 0.434763 0.348218 0.476422 0.0483065   -0.049385   -0.00772122 90  TRP   B CZ3  
3018 C CH2  . TRP   B 78  ? 0.405505 0.296621 0.435572 0.0399089   -0.0398163  0.00240929  90  TRP   B CH2  
3019 H H    . TRP   B 78  ? 0.344096 0.309167 0.349863 0.007098    -0.0254287  -0.0225426  90  TRP   B H    
3020 H HA   . TRP   B 78  ? 0.325549 0.302143 0.369843 0.00470115  -0.0174827  -0.03108    90  TRP   B HA   
3021 H HB2  . TRP   B 78  ? 0.35295  0.31459  0.369699 0.0214134   -0.0400897  -0.0200141  90  TRP   B HB2  
3022 H HB3  . TRP   B 78  ? 0.348034 0.319813 0.395237 0.0243353   -0.0418469  -0.0285836  90  TRP   B HB3  
3023 H HD1  . TRP   B 78  ? 0.353922 0.302615 0.357933 0.00777716  -0.0152275  -0.00535025 90  TRP   B HD1  
3024 H HE1  . TRP   B 78  ? 0.380704 0.306108 0.388683 0.00654318  -0.0123972  0.00644719  90  TRP   B HE1  
3025 H HE3  . TRP   B 78  ? 0.386953 0.338023 0.440327 0.0434948   -0.0527205  -0.0216613  90  TRP   B HE3  
3026 H HZ2  . TRP   B 78  ? 0.401899 0.288177 0.419721 0.0193812   -0.0230612  0.0117375   90  TRP   B HZ2  
3027 H HZ3  . TRP   B 78  ? 0.430448 0.343297 0.481623 0.0590946   -0.0577601  -0.0107624  90  TRP   B HZ3  
3028 H HH2  . TRP   B 78  ? 0.433972 0.305948 0.463721 0.0441992   -0.041539   0.00678701  90  TRP   B HH2  
3029 N N    . ASP   B 79  ? 0.316229 0.315897 0.380868 0.0021271   -0.0340198  -0.0469125  91  ASP   B N    
3030 C CA   . ASP   B 79  ? 0.362651 0.383476 0.457672 -0.00430275 -0.0355378  -0.0591567  91  ASP   B CA   
3031 C C    . ASP   B 79  ? 0.348319 0.37489  0.451774 -0.0168041  -0.0168546  -0.0613113  91  ASP   B C    
3032 O O    . ASP   B 79  ? 0.356692 0.403741 0.488657 -0.0200651  -0.0104868  -0.0693723  91  ASP   B O    
3033 C CB   . ASP   B 79  ? 0.396402 0.417714 0.48955  -0.00824203 -0.0472955  -0.0649697  91  ASP   B CB   
3034 C CG   . ASP   B 79  ? 0.427686 0.450186 0.516075 0.00569215  -0.0687686  -0.0664711  91  ASP   B CG   
3035 O OD1  . ASP   B 79  ? 0.43274  0.465206 0.536421 0.0168298   -0.0754552  -0.0666866  91  ASP   B OD1  
3036 O OD2  . ASP   B 79  ? 0.426102 0.43907  0.495384 0.00598407  -0.0790914  -0.0687229  91  ASP   B OD2  
3037 H H    . ASP   B 79  ? 0.339088 0.32864  0.385034 0.00399397  -0.0378438  -0.0426349  91  ASP   B H    
3038 H HA   . ASP   B 79  ? 0.356144 0.388347 0.469309 0.00234826  -0.0409875  -0.0631623  91  ASP   B HA   
3039 H HB2  . ASP   B 79  ? 0.39846  0.40432  0.469578 -0.011473   -0.0435926  -0.0605869  91  ASP   B HB2  
3040 H HB3  . ASP   B 79  ? 0.39249  0.428056 0.508535 -0.016756   -0.044901   -0.0728265  91  ASP   B HB3  
3041 N N    . ILE   B 80  ? 0.313429 0.322573 0.390351 -0.021686   -0.00787286 -0.0535405  92  ILE   B N    
3042 C CA   . ILE   B 80  ? 0.291878 0.300446 0.365385 -0.0310996  0.00881886  -0.0524577  92  ILE   B CA   
3043 C C    . ILE   B 80  ? 0.287365 0.302376 0.364294 -0.0267445  0.0165933   -0.0536145  92  ILE   B C    
3044 O O    . ILE   B 80  ? 0.314961 0.343332 0.405988 -0.0313849  0.0282434   -0.0595654  92  ILE   B O    
3045 C CB   . ILE   B 80  ? 0.331868 0.31857  0.373527 -0.0331959  0.0124859   -0.0434552  92  ILE   B CB   
3046 C CG1  . ILE   B 80  ? 0.341311 0.316527 0.377995 -0.0390135  0.00815777  -0.0450051  92  ILE   B CG1  
3047 C CG2  . ILE   B 80  ? 0.374402 0.357561 0.403949 -0.0380258  0.0274379   -0.0395555  92  ILE   B CG2  
3048 C CD1  . ILE   B 80  ? 0.375009 0.32741  0.379196 -0.0334969  0.00725394  -0.0370957  92  ILE   B CD1  
3049 H H    . ILE   B 80  ? 0.320159 0.317234 0.378682 -0.0179349  -0.0123785  -0.0482832  92  ILE   B H    
3050 H HA   . ILE   B 80  ? 0.305643 0.323563 0.395078 -0.0385246  0.0127647   -0.0575176  92  ILE   B HA   
3051 H HB   . ILE   B 80  ? 0.328433 0.309416 0.358282 -0.0262103  0.00760281  -0.0391038  92  ILE   B HB   
3052 H HG12 . ILE   B 80  ? 0.35407  0.330461 0.398848 -0.0483027  0.0157529   -0.046999   92  ILE   B HG12 
3053 H HG13 . ILE   B 80  ? 0.347548 0.328744 0.394557 -0.0368367  -0.0018414  -0.0499979  92  ILE   B HG13 
3054 H HG21 . ILE   B 80  ? 0.37101  0.340573 0.383393 -0.0393379  0.0292537   -0.0344456  92  ILE   B HG21 
3055 H HG22 . ILE   B 80  ? 0.365321 0.357378 0.408148 -0.0441857  0.0347409   -0.0435795  92  ILE   B HG22 
3056 H HG23 . ILE   B 80  ? 0.356819 0.34206  0.381722 -0.0330807  0.0276097   -0.0383706  92  ILE   B HG23 
3057 H HD11 . ILE   B 80  ? 0.361727 0.315287 0.358892 -0.0253584  0.0026431   -0.0341324  92  ILE   B HD11 
3058 H HD12 . ILE   B 80  ? 0.379391 0.32213  0.379689 -0.0357601  0.00293007  -0.0399895  92  ILE   B HD12 
3059 H HD13 . ILE   B 80  ? 0.370997 0.317278 0.365237 -0.0352499  0.0156046   -0.0324485  92  ILE   B HD13 
3060 N N    . GLY   B 81  ? 0.278884 0.284122 0.34347  -0.0185702  0.0109041   -0.0488883  93  GLY   B N    
3061 C CA   . GLY   B 81  ? 0.346263 0.352317 0.412095 -0.0154366  0.0160196   -0.0521228  93  GLY   B CA   
3062 C C    . GLY   B 81  ? 0.274741 0.292694 0.36619  -0.00883235 0.0150338   -0.0620601  93  GLY   B C    
3063 O O    . GLY   B 81  ? 0.31349  0.338738 0.409926 -0.00908167 0.0252555   -0.0699357  93  GLY   B O    
3064 H H    . GLY   B 81  ? 0.294906 0.292123 0.349927 -0.015489   0.00411804  -0.0440223  93  GLY   B H    
3065 H HA2  . GLY   B 81  ? 0.313648 0.320539 0.371314 -0.0199667  0.0246581   -0.0527413  93  GLY   B HA2  
3066 H HA3  . GLY   B 81  ? 0.311315 0.307632 0.36682  -0.0127096  0.0117912   -0.0472202  93  GLY   B HA3  
3067 N N    . VAL   B 82  ? 0.332461 0.352256 0.438229 -0.0004793  0.00233926  -0.062337   94  VAL   B N    
3068 C CA   . VAL   B 82  ? 0.312805 0.343271 0.444174 0.00996951  -0.00036962 -0.0718047  94  VAL   B CA   
3069 C C    . VAL   B 82  ? 0.321044 0.381005 0.480638 0.00581695  0.00950982  -0.0831534  94  VAL   B C    
3070 O O    . VAL   B 82  ? 0.315843 0.388016 0.493664 0.01261     0.0163625   -0.0933808  94  VAL   B O    
3071 C CB   . VAL   B 82  ? 0.332992 0.355969 0.468179 0.0224957   -0.018231   -0.0672663  94  VAL   B CB   
3072 C CG1  . VAL   B 82  ? 0.376708 0.410396 0.54026  0.0372653   -0.0228164  -0.0773069  94  VAL   B CG1  
3073 C CG2  . VAL   B 82  ? 0.314167 0.307527 0.420895 0.0238779   -0.0221971  -0.0541978  94  VAL   B CG2  
3074 H H    . VAL   B 82  ? 0.312577 0.326787 0.410749 3.006e-05   -0.0048144  -0.0569226  94  VAL   B H    
3075 H HA   . VAL   B 82  ? 0.326156 0.348291 0.452523 0.0122079   0.00363932  -0.0737125  94  VAL   B HA   
3076 H HB   . VAL   B 82  ? 0.329097 0.359819 0.466528 0.0203548   -0.0238882  -0.0664519  94  VAL   B HB   
3077 H HG11 . VAL   B 82  ? 0.367672 0.399714 0.533361 0.0373517   -0.0138745  -0.0826515  94  VAL   B HG11 
3078 H HG12 . VAL   B 82  ? 0.361965 0.418041 0.546931 0.0377493   -0.0242693  -0.0840035  94  VAL   B HG12 
3079 H HG13 . VAL   B 82  ? 0.377614 0.397135 0.535516 0.046739    -0.0332769  -0.0719669  94  VAL   B HG13 
3080 H HG21 . VAL   B 82  ? 0.333507 0.319185 0.43922  0.0326131   -0.032063   -0.0499996  94  VAL   B HG21 
3081 H HG22 . VAL   B 82  ? 0.316986 0.307108 0.408485 0.0169075   -0.020141   -0.0484508  94  VAL   B HG22 
3082 H HG23 . VAL   B 82  ? 0.324994 0.310424 0.429991 0.0231371   -0.0167028  -0.0560029  94  VAL   B HG23 
3083 N N    . ALA   B 83  ? 0.28011  0.349977 0.442596 -0.00629632 0.0128773   -0.0817807  95  ALA   B N    
3084 C CA   . ALA   B 83  ? 0.294615 0.393458 0.48724  -0.014289   0.0252757   -0.0911447  95  ALA   B CA   
3085 C C    . ALA   B 83  ? 0.254085 0.354129 0.435972 -0.0187314  0.0470039   -0.093374   95  ALA   B C    
3086 O O    . ALA   B 83  ? 0.27905  0.40482  0.485986 -0.0229655  0.0614204   -0.101415   95  ALA   B O    
3087 C CB   . ALA   B 83  ? 0.285588 0.385068 0.478287 -0.0297498  0.0248216   -0.0877062  95  ALA   B CB   
3088 H H    . ALA   B 83  ? 0.290675 0.34879  0.437134 -0.0100581  0.00818531  -0.0751597  95  ALA   B H    
3089 H HA   . ALA   B 83  ? 0.281219 0.397815 0.500555 -0.00645143 0.0198531   -0.0986284  95  ALA   B HA   
3090 H HB1  . ALA   B 83  ? 0.287866 0.389245 0.488069 -0.0263228  0.0104082   -0.0888611  95  ALA   B HB1  
3091 H HB2  . ALA   B 83  ? 0.290422 0.370128 0.455805 -0.0344222  0.0281012   -0.0799288  95  ALA   B HB2  
3092 H HB3  . ALA   B 83  ? 0.29202  0.408976 0.504234 -0.0380616  0.0355901   -0.0925205  95  ALA   B HB3  
3093 N N    . THR   B 84  ? 0.310283 0.385605 0.455788 -0.018619   0.0494555   -0.086524   96  THR   B N    
3094 C CA   . THR   B 84  ? 0.336998 0.411509 0.464637 -0.0208613  0.0671698   -0.0894876  96  THR   B CA   
3095 C C    . THR   B 84  ? 0.404825 0.47996  0.536842 -0.00742615 0.067297    -0.10109    96  THR   B C    
3096 O O    . THR   B 84  ? 0.36993  0.446251 0.487406 -0.00654853 0.0809626   -0.107561   96  THR   B O    
3097 C CB   . THR   B 84  ? 0.32665  0.37774  0.413788 -0.0262927  0.0680491   -0.078834   96  THR   B CB   
3098 O OG1  . THR   B 84  ? 0.325109 0.359541 0.400375 -0.0184744  0.0536629   -0.0773672  96  THR   B OG1  
3099 C CG2  . THR   B 84  ? 0.367023 0.408306 0.443098 -0.0365701  0.0668246   -0.0672211  96  THR   B CG2  
3100 H H    . THR   B 84  ? 0.295916 0.355722 0.426599 -0.0170349  0.0399474   -0.0801854  96  THR   B H    
3101 H HA   . THR   B 84  ? 0.345502 0.435003 0.484441 -0.0271121  0.0793708   -0.0918604  96  THR   B HA   
3102 H HB   . THR   B 84  ? 0.349885 0.402318 0.424255 -0.0275694  0.0795659   -0.0810598  96  THR   B HB   
3104 H HG21 . THR   B 84  ? 0.359645 0.387314 0.410381 -0.0372853  0.0675769   -0.0610674  96  THR   B HG21 
3105 H HG22 . THR   B 84  ? 0.344441 0.383225 0.428543 -0.0346942  0.0552972   -0.0655833  96  THR   B HG22 
3106 H HG23 . THR   B 84  ? 0.360188 0.410603 0.446088 -0.0438533  0.0767794   -0.0679699  96  THR   B HG23 
3107 N N    . MET   B 85  ? 0.352154 0.424251 0.502006 0.00426641  0.0524723   -0.104529   97  MET   B N    
3108 C CA   . MET   B 85  ? 0.342055 0.402493 0.491351 0.0173769   0.0495132   -0.114262   97  MET   B CA   
3109 C C    . MET   B 85  ? 0.381629 0.465074 0.564734 0.0305635   0.0553603   -0.129333   97  MET   B C    
3110 O O    . MET   B 85  ? 0.315836 0.425159 0.531493 0.0324517   0.0533781   -0.130805   97  MET   B O    
3111 C CB   . MET   B 85  ? 0.351363 0.3862   0.495634 0.0235856   0.0304023   -0.106579   97  MET   B CB   
3112 C CG   . MET   B 85  ? 0.363162 0.377192 0.477152 0.0129146   0.025688    -0.0935804  97  MET   B CG   
3113 S SD   . MET   B 85  ? 0.36412  0.35036  0.473815 0.0184208   0.00866995  -0.0828494  97  MET   B SD   
3114 C CE   . MET   B 85  ? 0.409374 0.372598 0.520289 0.0262488   0.0078176   -0.0947193  97  MET   B CE   
3115 H H    . MET   B 85  ? 0.348875 0.423789 0.510073 0.00464679  0.0433366   -0.100773   97  MET   B H    
3116 H HA   . MET   B 85  ? 0.362646 0.414908 0.491403 0.0143945   0.0562382   -0.116453   97  MET   B HA   
3117 H HB2  . MET   B 85  ? 0.347536 0.389413 0.506936 0.0271629   0.0227467   -0.10347    97  MET   B HB2  
3118 H HB3  . MET   B 85  ? 0.366072 0.390954 0.512791 0.0320215   0.0286367   -0.113498   97  MET   B HB3  
3119 H HG2  . MET   B 85  ? 0.364519 0.373225 0.464429 0.00986919  0.0310201   -0.0972942  97  MET   B HG2  
3120 H HG3  . MET   B 85  ? 0.347986 0.369085 0.458222 0.00616271  0.0271919   -0.0872108  97  MET   B HG3  
3121 H HE1  . MET   B 85  ? 0.413193 0.358519 0.523966 0.0296032   -0.00012358 -0.0884406  97  MET   B HE1  
3122 H HE2  . MET   B 85  ? 0.410331 0.382657 0.534626 0.0343778   0.0114206   -0.105076   97  MET   B HE2  
3123 H HE3  . MET   B 85  ? 0.406822 0.365558 0.504801 0.0192796   0.011555    -0.0975244  97  MET   B HE3  
3124 N N    . LYS   B 86  ? 0.407139 0.483188 0.583899 0.0404189   0.0624204   -0.142689   98  LYS   B N    
3125 C CA   . LYS   B 86  ? 0.479687 0.575416 0.688158 0.057668    0.068164    -0.159191   98  LYS   B CA   
3126 C C    . LYS   B 86  ? 0.474595 0.544636 0.691007 0.0752081   0.0494805   -0.161675   98  LYS   B C    
3127 O O    . LYS   B 86  ? 0.421013 0.454741 0.612678 0.0718279   0.0375947   -0.153469   98  LYS   B O    
3128 C CB   . LYS   B 86  ? 0.535403 0.636902 0.729665 0.0608312   0.0888074   -0.174561   98  LYS   B CB   
3129 C CG   . LYS   B 86  ? 0.64808  0.767154 0.825041 0.0436559   0.108537    -0.168538   98  LYS   B CG   
3130 C CD   . LYS   B 86  ? 0.813116 0.939244 0.968466 0.0468802   0.131302    -0.181756   98  LYS   B CD   
3131 C CE   . LYS   B 86  ? 0.869751 1.00997  1.00713  0.02944     0.15069     -0.170481   98  LYS   B CE   
3132 N NZ   . LYS   B 86  ? 0.84148  1.00603  0.978226 0.0350814   0.178603    -0.183606   98  LYS   B NZ   
3133 H H    . LYS   B 86  ? 0.424695 0.48361  0.577343 0.0371182   0.0631709   -0.142604   98  LYS   B H    
3134 H HA   . LYS   B 86  ? 0.458435 0.580814 0.692812 0.0567694   0.0709103   -0.158964   98  LYS   B HA   
3135 H HB2  . LYS   B 86  ? 0.563929 0.639613 0.735174 0.0628099   0.083956    -0.177607   98  LYS   B HB2  
3136 H HB3  . LYS   B 86  ? 0.559476 0.677904 0.777435 0.0730922   0.0944411   -0.186015   98  LYS   B HB3  
3137 H HG2  . LYS   B 86  ? 0.635505 0.778446 0.837448 0.0393261   0.112939    -0.165285   98  LYS   B HG2  
3138 H HG3  . LYS   B 86  ? 0.637158 0.7388   0.790801 0.0337148   0.101876    -0.157587   98  LYS   B HG3  
3139 H HD2  . LYS   B 86  ? 0.804116 0.9063   0.932466 0.0497161   0.125542    -0.185878   98  LYS   B HD2  
3140 H HD3  . LYS   B 86  ? 0.799681 0.944064 0.978419 0.058074    0.139293    -0.193756   98  LYS   B HD3  
3141 H HE2  . LYS   B 86  ? 0.82348  0.977028 0.982493 0.0212579   0.149739    -0.161854   98  LYS   B HE2  
3142 H HE3  . LYS   B 86  ? 0.846834 0.966329 0.950597 0.0231788   0.146425    -0.163482   98  LYS   B HE3  
3143 H HZ1  . LYS   B 86  ? 0.85305  1.04182  1.025    0.039785    0.183992    -0.189318   98  LYS   B HZ1  
3144 H HZ2  . LYS   B 86  ? 0.876583 1.02883  0.994667 0.0446127   0.178328    -0.194164   98  LYS   B HZ2  
3145 H HZ3  . LYS   B 86  ? 0.865791 1.03369  0.985082 0.0246665   0.191376    -0.175723   98  LYS   B HZ3  
3146 N N    . LYS   B 87  ? 0.447936 0.536483 0.699859 0.0943319   0.0475483   -0.172587   99  LYS   B N    
3147 C CA   . LYS   B 87  ? 0.490905 0.549866 0.747749 0.114259    0.0306647   -0.174651   99  LYS   B CA   
3148 C C    . LYS   B 87  ? 0.517682 0.537043 0.745056 0.116208    0.034012    -0.183896   99  LYS   B C    
3149 O O    . LYS   B 87  ? 0.531398 0.562072 0.752447 0.116576    0.0510258   -0.199396   99  LYS   B O    
3150 C CB   . LYS   B 87  ? 0.497669 0.586498 0.798635 0.13878     0.0303326   -0.188935   99  LYS   B CB   
3151 C CG   . LYS   B 87  ? 0.558429 0.613938 0.864773 0.163564    0.0110593   -0.189337   99  LYS   B CG   
3152 C CD   . LYS   B 87  ? 0.588805 0.681132 0.94379  0.190189    0.00616872  -0.201021   99  LYS   B CD   
3153 C CE   . LYS   B 87  ? 0.655651 0.706643 1.00958  0.217838    -0.0123483  -0.20102    99  LYS   B CE   
3154 N NZ   . LYS   B 87  ? 0.744705 0.83151  1.14657  0.248378    -0.0186502  -0.213886   99  LYS   B NZ   
3155 H H    . LYS   B 87  ? 0.456424 0.576229 0.730578 0.0953654   0.0570092   -0.178502   99  LYS   B H    
3156 H HA   . LYS   B 87  ? 0.478682 0.52285  0.728848 0.111126    0.0170426   -0.161313   99  LYS   B HA   
3157 H HB2  . LYS   B 87  ? 0.488326 0.607197 0.811273 0.135674    0.0283139   -0.185231   99  LYS   B HB2  
3158 H HB3  . LYS   B 87  ? 0.514483 0.617492 0.82058  0.1424      0.0456382   -0.202509   99  LYS   B HB3  
3159 H HG2  . LYS   B 87  ? 0.577115 0.604762 0.867101 0.167694    0.0146011   -0.196615   99  LYS   B HG2  
3160 H HG3  . LYS   B 87  ? 0.552093 0.58731  0.845122 0.158799    -0.00245899 -0.174467   99  LYS   B HG3  
3161 H HD2  . LYS   B 87  ? 0.57117  0.689555 0.94314  0.185927    -0.00070326 -0.194189   99  LYS   B HD2  
3162 H HD3  . LYS   B 87  ? 0.592335 0.710166 0.96298  0.194041    0.0220688   -0.2157     99  LYS   B HD3  
3163 H HE2  . LYS   B 87  ? 0.686373 0.707107 1.02208  0.220001    -0.00648101 -0.207973   99  LYS   B HE2  
3164 H HE3  . LYS   B 87  ? 0.665749 0.69295  1.00365  0.214201    -0.0268329  -0.185189   99  LYS   B HE3  
3165 H HZ1  . LYS   B 87  ? 0.720408 0.831917 1.13877  0.252204    -0.00350487 -0.228838   99  LYS   B HZ1  
3166 H HZ2  . LYS   B 87  ? 0.702639 0.817523 1.12257  0.246356    -0.0264588  -0.208208   99  LYS   B HZ2  
3167 H HZ3  . LYS   B 87  ? 0.747671 0.80429  1.14508  0.266109    -0.0300485  -0.212939   99  LYS   B HZ3  
3168 N N    . GLY   B 88  ? 0.506804 0.480634 0.715115 0.115489    0.0183124   -0.17393    100 GLY   B N    
3169 C CA   . GLY   B 88  ? 0.515294 0.447372 0.698909 0.113934    0.0178541   -0.182886   100 GLY   B CA   
3170 C C    . GLY   B 88  ? 0.467731 0.392191 0.620403 0.0890353   0.0205542   -0.175458   100 GLY   B C    
3171 O O    . GLY   B 88  ? 0.516868 0.409015 0.650754 0.0831629   0.0168005   -0.181221   100 GLY   B O    
3172 H H    . GLY   B 88  ? 0.500688 0.469152 0.711598 0.115196    0.00764456  -0.161264   100 GLY   B H    
3173 H HA2  . GLY   B 88  ? 0.529984 0.432473 0.713533 0.120579    0.00662096  -0.177826   100 GLY   B HA2  
3174 H HA3  . GLY   B 88  ? 0.529139 0.466766 0.716727 0.123492    0.0264938   -0.199745   100 GLY   B HA3  
3175 N N    . GLU   B 89  ? 0.491422 0.44618  0.640422 0.0750408   0.0266351   -0.164466   101 GLU   B N    
3176 C CA   . GLU   B 89  ? 0.454771 0.404962 0.575585 0.0551976   0.0282109   -0.157306   101 GLU   B CA   
3177 C C    . GLU   B 89  ? 0.437375 0.358957 0.549512 0.0455834   0.0140461   -0.140889   101 GLU   B C    
3178 O O    . GLU   B 89  ? 0.410727 0.326822 0.533425 0.0495893   0.00550428  -0.126919   101 GLU   B O    
3179 C CB   . GLU   B 89  ? 0.437087 0.421236 0.556972 0.0453895   0.0379138   -0.148337   101 GLU   B CB   
3180 C CG   . GLU   B 89  ? 0.476123 0.458828 0.565733 0.0293239   0.0407992   -0.142133   101 GLU   B CG   
3181 C CD   . GLU   B 89  ? 0.406087 0.41438  0.492062 0.02075     0.0512364   -0.132714   101 GLU   B CD   
3182 O OE1  . GLU   B 89  ? 0.389011 0.419928 0.487454 0.0256475   0.0656222   -0.141459   101 GLU   B OE1  
3183 O OE2  . GLU   B 89  ? 0.391261 0.395683 0.463819 0.0100132   0.0458641   -0.117709   101 GLU   B OE2  
3184 H H    . GLU   B 89  ? 0.457557 0.435769 0.622638 0.078224    0.0291373   -0.161705   101 GLU   B H    
3185 H HA   . GLU   B 89  ? 0.475026 0.418606 0.582952 0.0549311   0.0326749   -0.169615   101 GLU   B HA   
3186 H HB2  . GLU   B 89  ? 0.447346 0.450797 0.576555 0.0509498   0.0484668   -0.157417   101 GLU   B HB2  
3187 H HB3  . GLU   B 89  ? 0.429369 0.418129 0.560158 0.0447973   0.0319017   -0.137459   101 GLU   B HB3  
3188 H HG2  . GLU   B 89  ? 0.448005 0.416015 0.532148 0.0236635   0.0312893   -0.13325    101 GLU   B HG2  
3189 H HG3  . GLU   B 89  ? 0.470429 0.44812  0.546638 0.0303675   0.0448225   -0.153438   101 GLU   B HG3  
3190 N N    . ILE   B 90  ? 0.433174 0.338183 0.525873 0.0329618   0.0116554   -0.14299    102 ILE   B N    
3191 C CA   . ILE   B 90  ? 0.425987 0.317329 0.512165 0.0192355   0.00326209  -0.125892   102 ILE   B CA   
3192 C C    . ILE   B 90  ? 0.402914 0.317719 0.473282 0.00670616  0.00753848  -0.120816   102 ILE   B C    
3193 O O    . ILE   B 90  ? 0.44852  0.370528 0.504495 0.00436946  0.0117383   -0.133983   102 ILE   B O    
3194 C CB   . ILE   B 90  ? 0.475849 0.331456 0.559613 0.013107    -0.00430386 -0.131889   102 ILE   B CB   
3195 C CG1  . ILE   B 90  ? 0.54935  0.372956 0.645659 0.0277124   -0.00895755 -0.135203   102 ILE   B CG1  
3196 C CG2  . ILE   B 90  ? 0.508745 0.358703 0.589188 -0.00416581 -0.00924692 -0.114888   102 ILE   B CG2  
3197 C CD1  . ILE   B 90  ? 0.587299 0.368336 0.681676 0.0213616   -0.0153081  -0.144296   102 ILE   B CD1  
3198 H H    . ILE   B 90  ? 0.450267 0.354382 0.534404 0.0331735   0.0153929   -0.156008   102 ILE   B H    
3199 H HA   . ILE   B 90  ? 0.42099  0.311505 0.514462 0.0223204   9.903e-05   -0.113954   102 ILE   B HA   
3200 H HB   . ILE   B 90  ? 0.497874 0.354764 0.573782 0.0112625   -0.00261022 -0.146287   102 ILE   B HB   
3201 H HG12 . ILE   B 90  ? 0.531259 0.351751 0.63219  0.0302171   -0.0119837  -0.120204   102 ILE   B HG12 
3202 H HG13 . ILE   B 90  ? 0.541382 0.374616 0.642842 0.040187    -0.00488852 -0.14635    102 ILE   B HG13 
3203 H HG21 . ILE   B 90  ? 0.518073 0.344325 0.601274 -0.00937475 -0.0134842  -0.117408   102 ILE   B HG21 
3204 H HG22 . ILE   B 90  ? 0.483878 0.336536 0.567203 -0.00229367 -0.00950278 -0.100312   102 ILE   B HG22 
3205 H HG23 . ILE   B 90  ? 0.482684 0.350259 0.55541  -0.0116018  -0.00773157 -0.116239   102 ILE   B HG23 
3206 H HD11 . ILE   B 90  ? 0.595384 0.3801   0.682835 0.0173128   -0.0140659  -0.159696   102 ILE   B HD11 
3207 H HD12 . ILE   B 90  ? 0.611373 0.370887 0.711975 0.0336577   -0.0175051  -0.147977   102 ILE   B HD12 
3208 H HD13 . ILE   B 90  ? 0.587561 0.358323 0.68133  0.00916455  -0.018513   -0.131479   102 ILE   B HD13 
3209 N N    . ALA   B 91  ? 0.385224 0.308607 0.455215 0.00075297  0.00555893  -0.102086   103 ALA   B N    
3210 C CA   . ALA   B 91  ? 0.401186 0.342353 0.45638  -0.00872326 0.00817018  -0.0954351  103 ALA   B CA   
3211 C C    . ALA   B 91  ? 0.353976 0.289647 0.408512 -0.0179291  0.0021472   -0.0801906  103 ALA   B C    
3212 O O    . ALA   B 91  ? 0.388286 0.309004 0.451221 -0.016841   -0.00150044 -0.0698406  103 ALA   B O    
3213 C CB   . ALA   B 91  ? 0.400151 0.361979 0.455523 -0.00521399 0.0155086   -0.0900193  103 ALA   B CB   
3214 H H    . ALA   B 91  ? 0.389147 0.306071 0.466499 0.0039916   0.00220866  -0.0936208  103 ALA   B H    
3215 H HA   . ALA   B 91  ? 0.398631 0.341871 0.444185 -0.0109708  0.0093798   -0.105125   103 ALA   B HA   
3216 H HB1  . ALA   B 91  ? 0.400899 0.369292 0.45903  -0.00047341 0.021443    -0.0994543  103 ALA   B HB1  
3217 H HB2  . ALA   B 91  ? 0.388068 0.348509 0.452361 -0.00255514 0.0124957   -0.0824744  103 ALA   B HB2  
3218 H HB3  . ALA   B 91  ? 0.387182 0.3567   0.431018 -0.0103118  0.0172852   -0.0849651  103 ALA   B HB3  
3219 N N    . HIS   B 92  ? 0.316298 0.264663 0.359945 -0.0254375  0.00169772  -0.0784548  104 HIS   B N    
3220 C CA   . HIS   B 92  ? 0.337447 0.291521 0.381804 -0.0325725  -0.00093689 -0.0645719  104 HIS   B CA   
3221 C C    . HIS   B 92  ? 0.370707 0.340024 0.404071 -0.0288717  0.00317048  -0.0546308  104 HIS   B C    
3222 O O    . HIS   B 92  ? 0.346157 0.324716 0.366764 -0.0263481  0.00663034  -0.0593957  104 HIS   B O    
3223 C CB   . HIS   B 92  ? 0.366176 0.326729 0.4113   -0.0419124  -0.00662271 -0.0713284  104 HIS   B CB   
3224 C CG   . HIS   B 92  ? 0.37912  0.320724 0.438588 -0.0500301  -0.0116689  -0.0791418  104 HIS   B CG   
3225 N ND1  . HIS   B 92  ? 0.397429 0.343754 0.462998 -0.0606909  -0.0191891  -0.0896158  104 HIS   B ND1  
3226 C CD2  . HIS   B 92  ? 0.387133 0.301919 0.456185 -0.0489384  -0.0112659  -0.0781735  104 HIS   B CD2  
3227 C CE1  . HIS   B 92  ? 0.402252 0.323152 0.481939 -0.068404   -0.0220061  -0.0949051  104 HIS   B CE1  
3228 N NE2  . HIS   B 92  ? 0.447748 0.34734  0.527939 -0.0604548  -0.0167467  -0.0866212  104 HIS   B NE2  
3229 H H    . HIS   B 92  ? 0.335399 0.290371 0.370156 -0.0249114  0.00333169  -0.0866785  104 HIS   B H    
3230 H HA   . HIS   B 92  ? 0.347002 0.290233 0.399153 -0.0333082  -0.00184718 -0.0574599  104 HIS   B HA   
3231 H HB2  . HIS   B 92  ? 0.362607 0.330371 0.396773 -0.0395673  -0.00699021 -0.0798723  104 HIS   B HB2  
3232 H HB3  . HIS   B 92  ? 0.350258 0.321445 0.396739 -0.0448687  -0.00693722 -0.0623942  104 HIS   B HB3  
3234 H HD2  . HIS   B 92  ? 0.394384 0.301932 0.46297  -0.0416304  -0.00859192 -0.0722335  104 HIS   B HD2  
3235 H HE1  . HIS   B 92  ? 0.431048 0.34896  0.519227 -0.0779568  -0.0277356  -0.103456   104 HIS   B HE1  
3237 N N    . LEU   B 93  ? 0.344641 0.312732 0.379873 -0.0278354  0.00358599  -0.0408201  105 LEU   B N    
3238 C CA   . LEU   B 93  ? 0.378841 0.356779 0.402741 -0.0245662  0.00626805  -0.0324948  105 LEU   B CA   
3239 C C    . LEU   B 93  ? 0.372062 0.35811  0.395346 -0.0273125  0.00587319  -0.0229043  105 LEU   B C    
3240 O O    . LEU   B 93  ? 0.359095 0.340527 0.391406 -0.0312285  0.00606352  -0.0163359  105 LEU   B O    
3241 C CB   . LEU   B 93  ? 0.327662 0.300001 0.351669 -0.0188151  0.00655732  -0.027841   105 LEU   B CB   
3242 C CG   . LEU   B 93  ? 0.317281 0.289258 0.350013 -0.0150804  0.00732059  -0.0370693  105 LEU   B CG   
3243 C CD1  . LEU   B 93  ? 0.345575 0.316569 0.380847 -0.00997986 0.00353983  -0.0322102  105 LEU   B CD1  
3244 C CD2  . LEU   B 93  ? 0.330601 0.312208 0.356151 -0.0173114  0.0141185   -0.0440334  105 LEU   B CD2  
3245 H H    . LEU   B 93  ? 0.363493 0.322098 0.405202 -0.0287065  0.0022413   -0.0366908  105 LEU   B H    
3246 H HA   . LEU   B 93  ? 0.357958 0.341584 0.374236 -0.023901   0.00802006  -0.0369622  105 LEU   B HA   
3247 H HB2  . LEU   B 93  ? 0.339425 0.304937 0.366127 -0.0181446  0.00451518  -0.0219388  105 LEU   B HB2  
3248 H HB3  . LEU   B 93  ? 0.330386 0.306757 0.345978 -0.0175398  0.00789693  -0.0237934  105 LEU   B HB3  
3249 H HG   . LEU   B 93  ? 0.334834 0.300675 0.375462 -0.0141927  0.00571501  -0.0416199  105 LEU   B HG   
3250 H HD11 . LEU   B 93  ? 0.341923 0.304865 0.376794 -0.00755549 -0.00040047 -0.0265635  105 LEU   B HD11 
3251 H HD12 . LEU   B 93  ? 0.336532 0.311747 0.381958 -0.00757278 0.00354112  -0.0385542  105 LEU   B HD12 
3252 H HD13 . LEU   B 93  ? 0.332096 0.306133 0.358875 -0.0111486  0.00474479  -0.0288209  105 LEU   B HD13 
3253 H HD21 . LEU   B 93  ? 0.332141 0.313859 0.354905 -0.0188849  0.0146847   -0.0490983  105 LEU   B HD21 
3254 H HD22 . LEU   B 93  ? 0.3233   0.306778 0.338914 -0.0184101  0.0153448   -0.0386829  105 LEU   B HD22 
3255 H HD23 . LEU   B 93  ? 0.326622 0.311836 0.35955  -0.015713   0.0168244   -0.0487714  105 LEU   B HD23 
3256 N N    . LEU   B 94  ? 0.32589  0.323426 0.338348 -0.0242201  0.0066842   -0.0209077  106 LEU   B N    
3257 C CA   . LEU   B 94  ? 0.332729 0.342153 0.345074 -0.0222053  0.00770378  -0.0122225  106 LEU   B CA   
3258 C C    . LEU   B 94  ? 0.355781 0.359876 0.351511 -0.0135501  0.0105915   -0.00680232 106 LEU   B C    
3259 O O    . LEU   B 94  ? 0.332131 0.330831 0.315801 -0.01085    0.0108495   -0.00998939 106 LEU   B O    
3260 C CB   . LEU   B 94  ? 0.361926 0.390426 0.378876 -0.0232717  0.00349773  -0.0157254  106 LEU   B CB   
3261 C CG   . LEU   B 94  ? 0.373483 0.421263 0.400514 -0.0211789  0.00544759  -0.00807778 106 LEU   B CG   
3262 C CD1  . LEU   B 94  ? 0.332175 0.384171 0.38143  -0.0321561  0.00946722  -0.00365744 106 LEU   B CD1  
3263 C CD2  . LEU   B 94  ? 0.375877 0.445059 0.40617  -0.0180002  -0.00182646 -0.0130826  106 LEU   B CD2  
3264 H H    . LEU   B 94  ? 0.338693 0.336394 0.343049 -0.0223543  0.00723231  -0.0249451  106 LEU   B H    
3265 H HA   . LEU   B 94  ? 0.341621 0.349382 0.362044 -0.0251221  0.00930222  -0.00750784 106 LEU   B HA   
3266 H HB2  . LEU   B 94  ? 0.362283 0.391823 0.38872  -0.0297673  0.0002514   -0.0220158  106 LEU   B HB2  
3267 H HB3  . LEU   B 94  ? 0.360816 0.388959 0.364796 -0.0183861  0.00220697  -0.0179046  106 LEU   B HB3  
3268 H HG   . LEU   B 94  ? 0.361476 0.405084 0.377906 -0.014014   0.00919522  -0.00254548 106 LEU   B HG   
3269 H HD11 . LEU   B 94  ? 0.346148 0.382737 0.389761 -0.0321251  0.0131844   0.0008261   106 LEU   B HD11 
3270 H HD12 . LEU   B 94  ? 0.3438   0.41197  0.401081 -0.0309331  0.0126791   0.00105315  106 LEU   B HD12 
3271 H HD13 . LEU   B 94  ? 0.347968 0.401208 0.408388 -0.0401413  0.00524776  -0.0100871  106 LEU   B HD13 
3272 H HD21 . LEU   B 94  ? 0.3788   0.442365 0.391834 -0.010138   -0.00309806 -0.0130637  106 LEU   B HD21 
3273 H HD22 . LEU   B 94  ? 0.379225 0.451268 0.41706  -0.0247872  -0.006964   -0.0204639  106 LEU   B HD22 
3274 H HD23 . LEU   B 94  ? 0.373919 0.459904 0.415717 -0.016428   -0.00050726 -0.00928776 106 LEU   B HD23 
3275 N N    . ILE   B 95  ? 0.319288 0.322086 0.312441 -0.00979107 0.0135945   0.00119452  107 ILE   B N    
3276 C CA   . ILE   B 95  ? 0.334663 0.325684 0.311262 -0.00249988 0.0143712   0.0031251   107 ILE   B CA   
3277 C C    . ILE   B 95  ? 0.33547  0.332441 0.302374 0.00635279  0.0182216   0.00883944  107 ILE   B C    
3278 O O    . ILE   B 95  ? 0.34172  0.348676 0.314381 0.00650391  0.0229367   0.0150204   107 ILE   B O    
3279 C CB   . ILE   B 95  ? 0.354984 0.334459 0.331912 -0.00326855 0.0122786   0.00429715  107 ILE   B CB   
3280 C CG1  . ILE   B 95  ? 0.312649 0.287917 0.303038 -0.0088619  0.00874778  -0.00292588 107 ILE   B CG1  
3281 C CG2  . ILE   B 95  ? 0.329862 0.299047 0.29026  0.00356552  0.0102234   0.00402771  107 ILE   B CG2  
3282 C CD1  . ILE   B 95  ? 0.377231 0.342517 0.370561 -0.00683246 0.00500191  0.00037273  107 ILE   B CD1  
3283 H H    . ILE   B 95  ? 0.33191  0.34077  0.332921 -0.0121732  0.0154065   0.00499084  107 ILE   B H    
3284 H HA   . ILE   B 95  ? 0.334378 0.320577 0.305746 -0.00224897 0.013389    -0.00073041 107 ILE   B HA   
3285 H HB   . ILE   B 95  ? 0.34217  0.323824 0.321677 -0.00389568 0.0144091   0.00981739  107 ILE   B HB   
3286 H HG12 . ILE   B 95  ? 0.330892 0.304748 0.319591 -0.00874112 0.00817907  -0.00777346 107 ILE   B HG12 
3287 H HG13 . ILE   B 95  ? 0.330521 0.310738 0.32846  -0.0129018  0.00955214  -0.00499346 107 ILE   B HG13 
3288 H HG21 . ILE   B 95  ? 0.343106 0.306587 0.304634 0.00352383  0.00625622  0.00284759  107 ILE   B HG21 
3289 H HG22 . ILE   B 95  ? 0.338872 0.3054   0.295893 0.00355062  0.00991107  4.898e-05   107 ILE   B HG22 
3290 H HG23 . ILE   B 95  ? 0.346317 0.316773 0.297913 0.00831939  0.0129659   0.00852154  107 ILE   B HG23 
3291 H HD11 . ILE   B 95  ? 0.364456 0.328587 0.357462 -0.00789951 0.00725896  0.00692572  107 ILE   B HD11 
3292 H HD12 . ILE   B 95  ? 0.35818  0.321411 0.361359 -0.008371   0.00293503  -0.00470443 107 ILE   B HD12 
3293 H HD13 . ILE   B 95  ? 0.363045 0.324572 0.348213 -0.00236036 0.00223501  0.00095402  107 ILE   B HD13 
3294 N N    . LYS   B 96  ? 0.328372 0.318944 0.281223 0.0138519   0.0178022   0.00713167  108 LYS   B N    
3295 C CA   . LYS   B 96  ? 0.354195 0.346637 0.295466 0.0261113   0.021433    0.0102538   108 LYS   B CA   
3296 C C    . LYS   B 96  ? 0.356822 0.335865 0.283513 0.0300017   0.0226019   0.0105518   108 LYS   B C    
3297 O O    . LYS   B 96  ? 0.363626 0.329298 0.287413 0.0245935   0.0177158   0.00725805  108 LYS   B O    
3298 C CB   . LYS   B 96  ? 0.417683 0.397506 0.344298 0.0342655   0.0194824   0.00818087  108 LYS   B CB   
3299 C CG   . LYS   B 96  ? 0.378683 0.373464 0.312741 0.0355966   0.0166777   0.00906552  108 LYS   B CG   
3300 C CD   . LYS   B 96  ? 0.4056   0.382289 0.319052 0.0468815   0.0148574   0.0103594   108 LYS   B CD   
3301 C CE   . LYS   B 96  ? 0.483859 0.472925 0.397355 0.0513859   0.0094286   0.0119903   108 LYS   B CE   
3302 N NZ   . LYS   B 96  ? 0.579404 0.540324 0.466859 0.0634483   0.00897778  0.0158719   108 LYS   B NZ   
3303 H H    . LYS   B 96  ? 0.335834 0.319267 0.285377 0.0118905   0.0159671   0.00401315  108 LYS   B H    
3304 H HA   . LYS   B 96  ? 0.355162 0.365187 0.306845 0.0272593   0.0243253   0.0132483   108 LYS   B HA   
3305 H HB2  . LYS   B 96  ? 0.400065 0.36374  0.320074 0.029903    0.0176566   0.00545028  108 LYS   B HB2  
3306 H HB3  . LYS   B 96  ? 0.407503 0.384032 0.324794 0.0438334   0.0215401   0.0088087   108 LYS   B HB3  
3307 H HG2  . LYS   B 96  ? 0.383743 0.398488 0.329561 0.0383908   0.017612    0.0106621   108 LYS   B HG2  
3308 H HG3  . LYS   B 96  ? 0.380403 0.376056 0.320238 0.0267755   0.0148262   0.00705303  108 LYS   B HG3  
3309 H HD2  . LYS   B 96  ? 0.427545 0.383928 0.331013 0.0420002   0.0154289   0.00920083  108 LYS   B HD2  
3310 H HD3  . LYS   B 96  ? 0.430506 0.405304 0.338482 0.0571158   0.0165252   0.01121     108 LYS   B HD3  
3311 H HE2  . LYS   B 96  ? 0.474994 0.486706 0.401329 0.0564026   0.00761397  0.0121592   108 LYS   B HE2  
3312 H HE3  . LYS   B 96  ? 0.474416 0.464051 0.389807 0.0423893   0.00811887  0.0101842   108 LYS   B HE3  
3313 H HZ1  . LYS   B 96  ? 0.562421 0.521065 0.447527 0.072866    0.0101312   0.0162647   108 LYS   B HZ1  
3314 H HZ2  . LYS   B 96  ? 0.561334 0.501985 0.439334 0.0567149   0.0114897   0.0157335   108 LYS   B HZ2  
3315 H HZ3  . LYS   B 96  ? 0.565065 0.530065 0.447473 0.0687033   0.00497033  0.0180103   108 LYS   B HZ3  
3316 N N    . PRO   B 97  ? 0.356424 0.340843 0.272971 0.0408319   0.0287599   0.0136039   109 PRO   B N    
3317 C CA   . PRO   B 97  ? 0.365136 0.336379 0.26085  0.0462482   0.0294184   0.0132874   109 PRO   B CA   
3318 C C    . PRO   B 97  ? 0.357409 0.302537 0.235391 0.047643    0.0203258   0.00408736  109 PRO   B C    
3319 O O    . PRO   B 97  ? 0.397952 0.333727 0.26397  0.047718    0.0152557   0.00208714  109 PRO   B O    
3320 C CB   . PRO   B 97  ? 0.415734 0.399601 0.303307 0.0599347   0.0397992   0.0160417   109 PRO   B CB   
3321 C CG   . PRO   B 97  ? 0.393979 0.397159 0.299168 0.0645587   0.042369    0.0164094   109 PRO   B CG   
3322 C CD   . PRO   B 97  ? 0.391913 0.399274 0.31769  0.0493075   0.0353287   0.0167561   109 PRO   B CD   
3323 H HA   . PRO   B 97  ? 0.366711 0.340962 0.26667  0.0408181   0.0299629   0.0175054   109 PRO   B HA   
3324 H HB2  . PRO   B 97  ? 0.421517 0.391021 0.289328 0.0685102   0.0386941   0.0112772   109 PRO   B HB2  
3325 H HB3  . PRO   B 97  ? 0.407184 0.401353 0.29652  0.0586059   0.0462625   0.0221018   109 PRO   B HB3  
3326 H HG2  . PRO   B 97  ? 0.41146  0.402765 0.30544  0.0733513   0.0399368   0.0119862   109 PRO   B HG2  
3327 H HG3  . PRO   B 97  ? 0.401699 0.425533 0.316141 0.0679644   0.050239    0.0204557   109 PRO   B HG3  
3328 H HD2  . PRO   B 97  ? 0.377592 0.384441 0.304901 0.052099    0.0318574   0.014518    109 PRO   B HD2  
3329 H HD3  . PRO   B 97  ? 0.370074 0.394973 0.31244  0.0430948   0.0385463   0.0206866   109 PRO   B HD3  
3330 N N    . GLU   B 98  ? 0.380428 0.313174 0.256776 0.0483725   0.0176989   -0.00115865 110 GLU   B N    
3331 C CA   . GLU   B 98  ? 0.449686 0.356436 0.314086 0.0457715   0.0101062   -0.0104177  110 GLU   B CA   
3332 C C    . GLU   B 98  ? 0.388884 0.296815 0.267938 0.0320701   0.00272219  -0.013654   110 GLU   B C    
3333 O O    . GLU   B 98  ? 0.44162  0.335452 0.315077 0.0290228   -0.00562281 -0.0225866  110 GLU   B O    
3334 C CB   . GLU   B 98  ? 0.521128 0.410542 0.382152 0.0460114   0.0108274   -0.0120893  110 GLU   B CB   
3335 C CG   . GLU   B 98  ? 0.612984 0.495277 0.45692  0.0642658   0.015425    -0.0115374  110 GLU   B CG   
3336 C CD   . GLU   B 98  ? 0.650377 0.563153 0.506399 0.0733019   0.0222563   -0.00324603 110 GLU   B CD   
3337 O OE1  . GLU   B 98  ? 0.441588 0.376452 0.318446 0.0638381   0.0225286   0.00229387  110 GLU   B OE1  
3338 O OE2  . GLU   B 98  ? 0.652821 0.569819 0.498875 0.0899969   0.0273797   -0.00409079 110 GLU   B OE2  
3339 H H    . GLU   B 98  ? 0.382278 0.322417 0.26531  0.0499649   0.0204841   0.00137316  110 GLU   B H    
3340 H HA   . GLU   B 98  ? 0.458086 0.356284 0.306077 0.0532955   0.00896868  -0.0141697  110 GLU   B HA   
3341 H HB2  . GLU   B 98  ? 0.505445 0.404169 0.378499 0.0405625   0.0125884   -0.00789128 110 GLU   B HB2  
3342 H HB3  . GLU   B 98  ? 0.529989 0.402501 0.387548 0.0402011   0.00650719  -0.0178931  110 GLU   B HB3  
3343 H HG2  . GLU   B 98  ? 0.620862 0.483756 0.457947 0.0650615   0.0143253   -0.0129597  110 GLU   B HG2  
3344 H HG3  . GLU   B 98  ? 0.621079 0.496573 0.451832 0.0707029   0.0147811   -0.0162571  110 GLU   B HG3  
3345 N N    . TYR   B 99  ? 0.373668 0.299142 0.272865 0.0247201   0.00469361  -0.00826104 111 TYR   B N    
3346 C CA   . TYR   B 99  ? 0.380697 0.309499 0.296569 0.0149837   -0.00138026 -0.0120966  111 TYR   B CA   
3347 C C    . TYR   B 99  ? 0.411956 0.349086 0.329886 0.0177412   -0.0040093  -0.00702867 111 TYR   B C    
3348 O O    . TYR   B 99  ? 0.375613 0.317637 0.30943  0.0131591   -0.00894916 -0.00841024 111 TYR   B O    
3349 C CB   . TYR   B 99  ? 0.353682 0.290442 0.288496 0.00554024  0.00265969  -0.0120616  111 TYR   B CB   
3350 C CG   . TYR   B 99  ? 0.365786 0.288971 0.294741 0.00167781  0.00582297  -0.0148226  111 TYR   B CG   
3351 C CD1  . TYR   B 99  ? 0.346792 0.263055 0.261704 0.00797002  0.0107973   -0.00984143 111 TYR   B CD1  
3352 C CD2  . TYR   B 99  ? 0.418657 0.3356   0.357439 -0.00838661 0.00412114  -0.0217044  111 TYR   B CD2  
3353 C CE1  . TYR   B 99  ? 0.383442 0.280589 0.288294 0.00561351  0.0139454   -0.0096197  111 TYR   B CE1  
3354 C CE2  . TYR   B 99  ? 0.436382 0.335556 0.368101 -0.0141011  0.00905785  -0.0220709  111 TYR   B CE2  
3355 C CZ   . TYR   B 99  ? 0.425102 0.311309 0.337198 -0.00685566 0.014392    -0.0148239  111 TYR   B CZ   
3356 O OH   . TYR   B 99  ? 0.440286 0.301985 0.340935 -0.0117168  0.0198152   -0.0125219  111 TYR   B OH   
3357 H H    . TYR   B 99  ? 0.367402 0.303286 0.271248 0.0262043   0.00953837  -0.00316542 111 TYR   B H    
3358 H HA   . TYR   B 99  ? 0.391214 0.310811 0.304023 0.0133196   -0.00683049 -0.0186189  111 TYR   B HA   
3359 H HB2  . TYR   B 99  ? 0.348873 0.293964 0.286091 0.00688021  0.00652033  -0.00733461 111 TYR   B HB2  
3360 H HB3  . TYR   B 99  ? 0.350839 0.292334 0.29815  0.0010786   -0.00048995 -0.0150749  111 TYR   B HB3  
3361 H HD1  . TYR   B 99  ? 0.354202 0.279246 0.267016 0.0143483   0.0120851   -0.00592435 111 TYR   B HD1  
3362 H HD2  . TYR   B 99  ? 0.40163  0.32581  0.352273 -0.0112489  -0.00065013 -0.0260147  111 TYR   B HD2  
3363 H HE1  . TYR   B 99  ? 0.395548 0.287063 0.289448 0.0123391   0.0160595   -0.00549816 111 TYR   B HE1  
3364 H HE2  . TYR   B 99  ? 0.434393 0.331106 0.376095 -0.0231426  0.00933722  -0.0265002  111 TYR   B HE2  
3366 N N    . ALA   B 100 ? 0.362942 0.300064 0.262978 0.0266954   0.00031016  -0.00050994 112 ALA   B N    
3367 C CA   . ALA   B 100 ? 0.377787 0.316955 0.273251 0.0293203   5.44e-05    0.00752942  112 ALA   B CA   
3368 C C    . ALA   B 100 ? 0.394255 0.323952 0.257541 0.0411371   -0.00110771 0.00814162  112 ALA   B C    
3369 O O    . ALA   B 100 ? 0.448359 0.367443 0.299875 0.0443808   -0.0136898  -0.00079869 112 ALA   B O    
3370 C CB   . ALA   B 100 ? 0.375093 0.327013 0.283261 0.0252283   0.0112084   0.0180533   112 ALA   B CB   
3371 H H    . ALA   B 100 ? 0.384516 0.319505 0.274469 0.0316251   0.0042181   -0.00066398 112 ALA   B H    
3372 H HA   . ALA   B 100 ? 0.373343 0.310747 0.277303 0.0264598   -0.00706309 0.00523976  112 ALA   B HA   
3373 H HB1  . ALA   B 100 ? 0.358899 0.314435 0.284326 0.0184171   0.00987062  0.0163887   112 ALA   B HB1  
3374 H HB2  . ALA   B 100 ? 0.371833 0.330393 0.278236 0.027644    0.0174194   0.0187932   112 ALA   B HB2  
3375 H HB3  . ALA   B 100 ? 0.384404 0.334121 0.285502 0.027031    0.0133046   0.025266    112 ALA   B HB3  
3376 N N    . TYR   B 101 ? 0.412458 0.348249 0.262877 0.0472312   0.0117034   0.0174836   113 TYR   B N    
3377 C CA   . TYR   B 101 ? 0.442149 0.368932 0.256297 0.0599835   0.0129904   0.0191098   113 TYR   B CA   
3378 C C    . TYR   B 101 ? 0.469024 0.395693 0.266277 0.0707442   0.020879    0.0128226   113 TYR   B C    
3379 O O    . TYR   B 101 ? 0.483923 0.404546 0.248824 0.0829625   0.0248576   0.0128053   113 TYR   B O    
3380 C CB   . TYR   B 101 ? 0.441038 0.371807 0.247215 0.0603674   0.0236635   0.0359422   113 TYR   B CB   
3381 C CG   . TYR   B 101 ? 0.43642  0.358876 0.251478 0.0543779   0.0143542   0.0421606   113 TYR   B CG   
3382 C CD1  . TYR   B 101 ? 0.484428 0.391527 0.275707 0.0628165   -0.00084779 0.040198    113 TYR   B CD1  
3383 C CD2  . TYR   B 101 ? 0.420046 0.349341 0.267116 0.0420544   0.0185163   0.0479732   113 TYR   B CD2  
3384 C CE1  . TYR   B 101 ? 0.506494 0.405841 0.3076   0.0607489   -0.0103089  0.0462141   113 TYR   B CE1  
3385 C CE2  . TYR   B 101 ? 0.415397 0.333782 0.271594 0.0387148   0.0098859   0.0520557   113 TYR   B CE2  
3386 C CZ   . TYR   B 101 ? 0.447087 0.350822 0.281393 0.0489871   -0.00436143 0.0516427   113 TYR   B CZ   
3387 O OH   . TYR   B 101 ? 0.494776 0.387172 0.33741  0.0498944   -0.0142265  0.0558044   113 TYR   B OH   
3388 H H    . TYR   B 101 ? 0.398281 0.344941 0.261857 0.0438058   0.0197358   0.0221581   113 TYR   B H    
3389 H HA   . TYR   B 101 ? 0.453404 0.369629 0.257526 0.0620108   0.00093691  0.0127401   113 TYR   B HA   
3390 H HB2  . TYR   B 101 ? 0.432077 0.376013 0.253681 0.0560355   0.0350209   0.0414654   113 TYR   B HB2  
3391 H HB3  . TYR   B 101 ? 0.470578 0.395809 0.249006 0.0697081   0.0265168   0.0377088   113 TYR   B HB3  
3392 H HD1  . TYR   B 101 ? 0.502508 0.404186 0.270187 0.0711565   -0.00526381 0.0346549   113 TYR   B HD1  
3393 H HD2  . TYR   B 101 ? 0.401327 0.342593 0.264649 0.0366634   0.0263215   0.0478488   113 TYR   B HD2  
3394 H HE1  . TYR   B 101 ? 0.511467 0.402487 0.297787 0.068079    -0.0223372  0.0446804   113 TYR   B HE1  
3395 H HE2  . TYR   B 101 ? 0.407824 0.328603 0.284567 0.0306967   0.0127076   0.054309    113 TYR   B HE2  
3397 N N    . GLY   B 102 ? 0.451593 0.384132 0.267538 0.0684853   0.0239475   0.00831623  114 GLY   B N    
3398 C CA   . GLY   B 102 ? 0.496611 0.420459 0.297048 0.0804695   0.0264195   -0.00089811 114 GLY   B CA   
3399 C C    . GLY   B 102 ? 0.497273 0.436756 0.285881 0.0941636   0.0433353   0.00498062  114 GLY   B C    
3400 O O    . GLY   B 102 ? 0.492044 0.453513 0.292126 0.0906836   0.0555026   0.0177154   114 GLY   B O    
3401 H H    . GLY   B 102 ? 0.435572 0.376249 0.273353 0.0601981   0.0242115   0.0110605   114 GLY   B H    
3402 H HA2  . GLY   B 102 ? 0.472915 0.397233 0.288495 0.0769504   0.0253787   -0.00297842 114 GLY   B HA2  
3403 H HA3  . GLY   B 102 ? 0.50449  0.411036 0.286971 0.0836713   0.0179683   -0.00959673 114 GLY   B HA3  
3404 N N    . SER   B 103 ? 0.530582 0.457132 0.294531 0.110033    0.0450436   -0.00516458 115 SER   B N    
3405 C CA   . SER   B 103 ? 0.520551 0.464552 0.273739 0.126323    0.0630226   -0.00202765 115 SER   B CA   
3406 C C    . SER   B 103 ? 0.516436 0.460687 0.239019 0.13102     0.0704623   0.00366261  115 SER   B C    
3407 O O    . SER   B 103 ? 0.557465 0.524882 0.278636 0.137843    0.0901318   0.0128246   115 SER   B O    
3408 C CB   . SER   B 103 ? 0.594908 0.522578 0.3331   0.143633    0.0622676   -0.0155802  115 SER   B CB   
3409 O OG   . SER   B 103 ? 0.639265 0.53121  0.343183 0.147779    0.0493354   -0.0299899  115 SER   B OG   
3410 H H    . SER   B 103 ? 0.532345 0.439044 0.286796 0.110924    0.0355847   -0.0147786  115 SER   B H    
3411 H HA   . SER   B 103 ? 0.508858 0.476426 0.287452 0.122129    0.0710975   0.00619612  115 SER   B HA   
3412 H HB2  . SER   B 103 ? 0.597918 0.540278 0.331592 0.156068    0.0750263   -0.0142532  115 SER   B HB2  
3413 H HB3  . SER   B 103 ? 0.568392 0.495114 0.325239 0.140261    0.0579674   -0.0162272  115 SER   B HB3  
3415 N N    . ALA   B 104 ? 0.542887 0.463172 0.23967  0.12812     0.0554452   -0.00099907 116 ALA   B N    
3416 C CA   . ALA   B 104 ? 0.608193 0.5259   0.268598 0.135061    0.0612786   0.00622813  116 ALA   B CA   
3417 C C    . ALA   B 104 ? 0.545255 0.480936 0.224232 0.122381    0.0720586   0.0278107   116 ALA   B C    
3418 O O    . ALA   B 104 ? 0.569461 0.511212 0.225266 0.127674    0.0881069   0.0405518   116 ALA   B O    
3419 C CB   . ALA   B 104 ? 0.708344 0.597496 0.336161 0.137255    0.0383392   -0.00545105 116 ALA   B CB   
3420 H H    . ALA   B 104 ? 0.539937 0.446384 0.241658 0.122239    0.0415971   -0.0084418  116 ALA   B H    
3421 H HA   . ALA   B 104 ? 0.627245 0.549505 0.269149 0.148041    0.0737732   0.00443673  116 ALA   B HA   
3422 H HB1  . ALA   B 104 ? 0.703562 0.579122 0.314695 0.145744    0.0329802   -0.0197369  116 ALA   B HB1  
3423 H HB2  . ALA   B 104 ? 0.66143  0.547978 0.310733 0.125724    0.0260506   -0.00612865 116 ALA   B HB2  
3424 H HB3  . ALA   B 104 ? 0.708633 0.59603  0.311066 0.142023    0.0411096   0.0016633   116 ALA   B HB3  
3425 N N    . GLY   B 105 ? 0.527773 0.469049 0.246656 0.105285    0.0640768   0.0319097   117 GLY   B N    
3426 C CA   . GLY   B 105 ? 0.505495 0.454074 0.24137  0.0917939   0.0694678   0.0496834   117 GLY   B CA   
3427 C C    . GLY   B 105 ? 0.549892 0.47558  0.254227 0.0941648   0.0576031   0.0550606   117 GLY   B C    
3428 O O    . GLY   B 105 ? 0.554798 0.462793 0.230404 0.104013    0.0410194   0.0422337   117 GLY   B O    
3429 H H    . GLY   B 105 ? 0.500294 0.438692 0.234965 0.101998    0.0553473   0.0233071   117 GLY   B H    
3430 H HA2  . GLY   B 105 ? 0.482151 0.435859 0.248384 0.081173    0.0640655   0.0486574   117 GLY   B HA2  
3431 H HA3  . GLY   B 105 ? 0.518928 0.482466 0.257722 0.0918915   0.0865065   0.0593328   117 GLY   B HA3  
3432 N N    . SER   B 106 ? 0.556964 0.482571 0.262647 0.0868238   0.0676729   0.0748589   118 SER   B N    
3433 C CA   . SER   B 106 ? 0.593603 0.496206 0.266446 0.0916676   0.0584936   0.0847102   118 SER   B CA   
3434 C C    . SER   B 106 ? 0.618385 0.520716 0.284    0.0858634   0.0810283   0.109914    118 SER   B C    
3435 O O    . SER   B 106 ? 0.620404 0.512459 0.303318 0.074652    0.0793816   0.122551    118 SER   B O    
3436 C CB   . SER   B 106 ? 0.575372 0.467135 0.272347 0.0846142   0.0343649   0.0785136   118 SER   B CB   
3437 O OG   . SER   B 106 ? 0.604541 0.474487 0.263507 0.0961626   0.0194893   0.0833457   118 SER   B OG   
3438 H H    . SER   B 106 ? 0.544736 0.484427 0.273243 0.0785655   0.0802235   0.0823661   118 SER   B H    
3439 H HA   . SER   B 106 ? 0.621723 0.515525 0.259902 0.104264    0.0533773   0.0786876   118 SER   B HA   
3440 H HB2  . SER   B 106 ? 0.549505 0.445666 0.259939 0.0840778   0.024383    0.06357     118 SER   B HB2  
3441 H HB3  . SER   B 106 ? 0.553563 0.449033 0.277026 0.0737976   0.039452    0.086061    118 SER   B HB3  
3443 N N    . LEU   B 107 ? 0.612223 0.521493 0.245627 0.0952974   0.102268    0.117205    119 LEU   B N    
3444 C CA   . LEU   B 107 ? 0.639293 0.55175  0.267517 0.0875243   0.129442    0.142369    119 LEU   B CA   
3445 C C    . LEU   B 107 ? 0.762545 0.639555 0.348493 0.0920152   0.122416    0.160531    119 LEU   B C    
3446 O O    . LEU   B 107 ? 0.804528 0.660328 0.34483  0.10948     0.102407    0.154001    119 LEU   B O    
3447 C CB   . LEU   B 107 ? 0.67946  0.613062 0.285621 0.0980245   0.156106    0.143858    119 LEU   B CB   
3448 C CG   . LEU   B 107 ? 0.640104 0.612509 0.294474 0.0940665   0.167091    0.130737    119 LEU   B CG   
3449 C CD1  . LEU   B 107 ? 0.674083 0.664215 0.297646 0.110271    0.193028    0.131677    119 LEU   B CD1  
3450 C CD2  . LEU   B 107 ? 0.630437 0.627127 0.345339 0.070961    0.178567    0.14014     119 LEU   B CD2  
3451 H H    . LEU   B 107 ? 0.630228 0.541823 0.244896 0.106364    0.100762    0.106212    119 LEU   B H    
3452 H HA   . LEU   B 107 ? 0.626985 0.551086 0.295998 0.0724582   0.134558    0.145915    119 LEU   B HA   
3453 H HB2  . LEU   B 107 ? 0.703481 0.625764 0.270753 0.113789    0.148348    0.135351    119 LEU   B HB2  
3454 H HB3  . LEU   B 107 ? 0.709064 0.641631 0.303918 0.0936641   0.174864    0.162267    119 LEU   B HB3  
3455 H HG   . LEU   B 107 ? 0.618622 0.588301 0.280392 0.0987494   0.149364    0.113823    119 LEU   B HG   
3456 H HD11 . LEU   B 107 ? 0.699698 0.673228 0.283415 0.125738    0.183792    0.122469    119 LEU   B HD11 
3457 H HD12 . LEU   B 107 ? 0.651989 0.667917 0.305495 0.110559    0.200052    0.123498    119 LEU   B HD12 
3458 H HD13 . LEU   B 107 ? 0.703661 0.695848 0.317064 0.105419    0.212025    0.149313    119 LEU   B HD13 
3459 H HD21 . LEU   B 107 ? 0.596585 0.583197 0.331216 0.0625499   0.161799    0.136129    119 LEU   B HD21 
3460 H HD22 . LEU   B 107 ? 0.647773 0.643115 0.357472 0.0634937   0.194836    0.157399    119 LEU   B HD22 
3461 H HD23 . LEU   B 107 ? 0.602966 0.62673  0.342719 0.0719809   0.186333    0.132563    119 LEU   B HD23 
3462 N N    . PRO   B 108 ? 0.775207 0.643797 0.367411 0.0782802   0.141545    0.185928    120 PRO   B N    
3463 C CA   . PRO   B 108 ? 0.746448 0.642821 0.387408 0.0573721   0.168025    0.194476    120 PRO   B CA   
3464 C C    . PRO   B 108 ? 0.682287 0.58713  0.387185 0.0376515   0.156466    0.185955    120 PRO   B C    
3465 O O    . PRO   B 108 ? 0.704128 0.639674 0.455465 0.0219684   0.171611    0.184724    120 PRO   B O    
3466 C CB   . PRO   B 108 ? 0.793142 0.66926  0.408459 0.0492359   0.192892    0.226515    120 PRO   B CB   
3467 C CG   . PRO   B 108 ? 0.860559 0.69029  0.42636  0.0632149   0.1701      0.23466     120 PRO   B CG   
3468 C CD   . PRO   B 108 ? 0.855487 0.686447 0.398277 0.0848877   0.141072    0.208963    120 PRO   B CD   
3469 H HA   . PRO   B 108 ? 0.734435 0.655622 0.379495 0.0616032   0.179391    0.187018    120 PRO   B HA   
3470 H HB2  . PRO   B 108 ? 0.789405 0.669697 0.441688 0.0308261   0.201294    0.233951    120 PRO   B HB2  
3471 H HB3  . PRO   B 108 ? 0.829359 0.71699  0.422127 0.0548402   0.212797    0.232915    120 PRO   B HB3  
3472 H HG2  . PRO   B 108 ? 0.844544 0.659467 0.433603 0.053604    0.160229    0.237821    120 PRO   B HG2  
3473 H HG3  . PRO   B 108 ? 0.908682 0.722036 0.434071 0.0681764   0.183699    0.253162    120 PRO   B HG3  
3474 H HD2  . PRO   B 108 ? 0.843189 0.65643  0.386863 0.0879189   0.11911     0.205172    120 PRO   B HD2  
3475 H HD3  . PRO   B 108 ? 0.88674  0.712397 0.383735 0.0994229   0.144921    0.211187    120 PRO   B HD3  
3476 N N    . LYS   B 109 ? 0.676243 0.559799 0.386636 0.0397642   0.12869     0.176359    121 LYS   B N    
3477 C CA   . LYS   B 109 ? 0.63179  0.521565 0.397556 0.0221635   0.119733    0.168054    121 LYS   B CA   
3478 C C    . LYS   B 109 ? 0.606197 0.532052 0.412575 0.0181532   0.116463    0.146627    121 LYS   B C    
3479 O O    . LYS   B 109 ? 0.621475 0.563192 0.473159 0.00122371  0.119688    0.14359     121 LYS   B O    
3480 C CB   . LYS   B 109 ? 0.685536 0.546762 0.447318 0.0281307   0.0924084   0.161693    121 LYS   B CB   
3481 C CG   . LYS   B 109 ? 0.77134  0.5923   0.494506 0.0341823   0.0918052   0.184043    121 LYS   B CG   
3482 C CD   . LYS   B 109 ? 0.918172 0.712844 0.656114 0.034832    0.0698626   0.180947    121 LYS   B CD   
3483 C CE   . LYS   B 109 ? 1.0292   0.821235 0.812687 0.0118868   0.0799329   0.184507    121 LYS   B CE   
3484 N NZ   . LYS   B 109 ? 1.0942   0.841056 0.864877 0.0104539   0.0791021   0.204055    121 LYS   B NZ   
3485 H H    . LYS   B 109 ? 0.691215 0.557978 0.371744 0.0524694   0.115108    0.173953    121 LYS   B H    
3486 H HA   . LYS   B 109 ? 0.659788 0.546819 0.440169 0.0085289   0.133293    0.181158    121 LYS   B HA   
3487 H HB2  . LYS   B 109 ? 0.666291 0.531296 0.416525 0.039701    0.0790273   0.148679    121 LYS   B HB2  
3488 H HB3  . LYS   B 109 ? 0.651693 0.51661  0.44784  0.017349    0.0876951   0.155354    121 LYS   B HB3  
3489 H HG2  . LYS   B 109 ? 0.817478 0.634587 0.541295 0.0239648   0.110562    0.199894    121 LYS   B HG2  
3490 H HG3  . LYS   B 109 ? 0.819474 0.634332 0.504773 0.0490319   0.0877545   0.185456    121 LYS   B HG3  
3491 H HD2  . LYS   B 109 ? 0.944793 0.713365 0.651491 0.044554    0.0653521   0.193577    121 LYS   B HD2  
3492 H HD3  . LYS   B 109 ? 0.873001 0.678559 0.622446 0.0406474   0.0538779   0.163474    121 LYS   B HD3  
3493 H HE2  . LYS   B 109 ? 0.958673 0.76257  0.770755 0.0089091   0.069172    0.168059    121 LYS   B HE2  
3494 H HE3  . LYS   B 109 ? 0.992665 0.800934 0.787018 0.00063819  0.0976271   0.189396    121 LYS   B HE3  
3495 H HZ1  . LYS   B 109 ? 1.09194  0.825364 0.852979 0.0228918   0.0622338   0.199615    121 LYS   B HZ1  
3496 H HZ2  . LYS   B 109 ? 1.12677  0.861011 0.870134 0.0117141   0.0910848   0.221311    121 LYS   B HZ2  
3497 H HZ3  . LYS   B 109 ? 1.08038  0.824283 0.879662 -0.00372896 0.0834131   0.20331     121 LYS   B HZ3  
3498 N N    . ILE   B 110 ? 0.564415 0.498447 0.353447 0.0342566   0.105899    0.130094    122 ILE   B N    
3499 C CA   . ILE   B 110 ? 0.500632 0.458779 0.32049  0.0334605   0.0991599   0.110945    122 ILE   B CA   
3500 C C    . ILE   B 110 ? 0.491506 0.472227 0.299263 0.0456588   0.112411    0.105529    122 ILE   B C    
3501 O O    . ILE   B 110 ? 0.50962  0.477622 0.274929 0.0625621   0.109269    0.101292    122 ILE   B O    
3502 C CB   . ILE   B 110 ? 0.491377 0.434988 0.308179 0.0399121   0.0734821   0.0940696   122 ILE   B CB   
3503 C CG1  . ILE   B 110 ? 0.539754 0.460499 0.361611 0.0348094   0.0590849   0.0973516   122 ILE   B CG1  
3504 C CG2  . ILE   B 110 ? 0.453829 0.419484 0.304166 0.035647    0.0702796   0.0789659   122 ILE   B CG2  
3505 C CD1  . ILE   B 110 ? 0.600918 0.5272   0.464892 0.0169766   0.0621445   0.099257    122 ILE   B CD1  
3506 H H    . ILE   B 110 ? 0.590693 0.512247 0.345476 0.0462073   0.102469    0.131282    122 ILE   B H    
3507 H HA   . ILE   B 110 ? 0.486912 0.456709 0.339359 0.0208952   0.102567    0.111628    122 ILE   B HA   
3508 H HB   . ILE   B 110 ? 0.514615 0.450977 0.30288  0.0518591   0.0692492   0.0900613   122 ILE   B HB   
3509 H HG12 . ILE   B 110 ? 0.576185 0.481347 0.373904 0.0390842   0.0614179   0.108914    122 ILE   B HG12 
3510 H HG13 . ILE   B 110 ? 0.533858 0.450144 0.354233 0.0398775   0.044445    0.0860344   122 ILE   B HG13 
3511 H HG21 . ILE   B 110 ? 0.437125 0.395163 0.294667 0.0343535   0.0568129   0.0704798   122 ILE   B HG21 
3512 H HG22 . ILE   B 110 ? 0.441242 0.420822 0.316535 0.0257626   0.0782183   0.0829494   122 ILE   B HG22 
3513 H HG23 . ILE   B 110 ? 0.455786 0.428784 0.294868 0.0446043   0.0735516   0.0735716   122 ILE   B HG23 
3514 H HD11 . ILE   B 110 ? 0.543854 0.482919 0.427943 0.0142002   0.0569742   0.0873529   122 ILE   B HD11 
3515 H HD12 . ILE   B 110 ? 0.580893 0.489164 0.44423  0.0158471   0.0544921   0.10246     122 ILE   B HD12 
3516 H HD13 . ILE   B 110 ? 0.580165 0.514581 0.451385 0.00970562  0.076591    0.108677    122 ILE   B HD13 
3517 N N    . PRO   B 111 ? 0.504423 0.518915 0.348987 0.0391296   0.12534     0.103486    123 PRO   B N    
3518 C CA   . PRO   B 111 ? 0.497768 0.536156 0.335686 0.0537851   0.137902    0.0969984   123 PRO   B CA   
3519 C C    . PRO   B 111 ? 0.458476 0.490773 0.291031 0.0668036   0.120054    0.0769223   123 PRO   B C    
3520 O O    . PRO   B 111 ? 0.447547 0.465397 0.291409 0.0604467   0.100612    0.0688807   123 PRO   B O    
3521 C CB   . PRO   B 111 ? 0.529365 0.607868 0.413969 0.040294    0.157431    0.104741    123 PRO   B CB   
3522 C CG   . PRO   B 111 ? 0.545258 0.620155 0.467234 0.0209523   0.142384    0.10245     123 PRO   B CG   
3523 C CD   . PRO   B 111 ? 0.507678 0.540433 0.401977 0.0183277   0.129021    0.107363    123 PRO   B CD   
3524 H HA   . PRO   B 111 ? 0.535069 0.565522 0.340675 0.0625926   0.146782    0.102784    123 PRO   B HA   
3525 H HB2  . PRO   B 111 ? 0.520538 0.621579 0.416983 0.0486201   0.161139    0.0969234   123 PRO   B HB2  
3526 H HB3  . PRO   B 111 ? 0.55422  0.635471 0.431619 0.0360512   0.173854    0.117897    123 PRO   B HB3  
3527 H HG2  . PRO   B 111 ? 0.497362 0.579129 0.432595 0.0242933   0.130887    0.0904377   123 PRO   B HG2  
3528 H HG3  . PRO   B 111 ? 0.520898 0.613192 0.470385 0.00772598  0.152663    0.109436    123 PRO   B HG3  
3529 H HD2  . PRO   B 111 ? 0.488787 0.514276 0.396299 0.0140983   0.114102    0.0991721   123 PRO   B HD2  
3530 H HD3  . PRO   B 111 ? 0.529795 0.55497  0.423951 0.00890948  0.137791    0.120408    123 PRO   B HD3  
3531 N N    . SER   B 112 ? 0.487886 0.532466 0.306732 0.0843135   0.129066    0.0693068   124 SER   B N    
3532 C CA   . SER   B 112 ? 0.437318 0.473136 0.25186  0.0968755   0.114938    0.051415    124 SER   B CA   
3533 C C    . SER   B 112 ? 0.406051 0.457817 0.265082 0.0868546   0.105889    0.0471405   124 SER   B C    
3534 O O    . SER   B 112 ? 0.429091 0.514398 0.323017 0.0803237   0.116771    0.0531025   124 SER   B O    
3535 C CB   . SER   B 112 ? 0.499575 0.546599 0.294535 0.119017    0.129131    0.0447824   124 SER   B CB   
3536 O OG   . SER   B 112 ? 0.456619 0.492885 0.252193 0.130912    0.116421    0.028701    124 SER   B OG   
3537 H H    . SER   B 112 ? 0.494441 0.551739 0.305915 0.0887831   0.145276    0.0756639   124 SER   B H    
3538 H HA   . SER   B 112 ? 0.458638 0.46884  0.251994 0.0980963   0.101625    0.0460587   124 SER   B HA   
3539 H HB2  . SER   B 112 ? 0.512313 0.544457 0.272769 0.126513    0.132085    0.045049    124 SER   B HB2  
3540 H HB3  . SER   B 112 ? 0.480436 0.556189 0.296203 0.118173    0.144324    0.0511602   124 SER   B HB3  
3542 N N    . ASN   B 113 ? 0.388923 0.418633 0.244612 0.0871376   0.0873016   0.0361917   125 ASN   B N    
3543 C CA   . ASN   B 113 ? 0.423899 0.464886 0.309792 0.0833557   0.0792453   0.0312311   125 ASN   B CA   
3544 C C    . ASN   B 113 ? 0.390352 0.448873 0.311637 0.0633636   0.0777715   0.0383195   125 ASN   B C    
3545 O O    . ASN   B 113 ? 0.397286 0.482496 0.348779 0.061341    0.0778621   0.0372426   125 ASN   B O    
3546 C CB   . ASN   B 113 ? 0.432195 0.496519 0.327121 0.100489    0.0876525   0.0274117   125 ASN   B CB   
3547 C CG   . ASN   B 113 ? 0.464538 0.500625 0.324504 0.120402    0.0840061   0.0162685   125 ASN   B CG   
3548 O OD1  . ASN   B 113 ? 0.605624 0.653844 0.461322 0.139191    0.0935666   0.0125888   125 ASN   B OD1  
3549 N ND2  . ASN   B 113 ? 0.527407 0.526511 0.365632 0.116111    0.069946    0.00959415  125 ASN   B ND2  
3550 H H    . ASN   B 113 ? 0.413234 0.420473 0.246759 0.0895664   0.0793993   0.031838    125 ASN   B H    
3551 H HA   . ASN   B 113 ? 0.408243 0.427943 0.284145 0.0836011   0.0679588   0.024641    125 ASN   B HA   
3552 H HB2  . ASN   B 113 ? 0.438809 0.525484 0.341625 0.102024    0.100873    0.0329364   125 ASN   B HB2  
3553 H HB3  . ASN   B 113 ? 0.41601  0.491387 0.332056 0.0977545   0.082098    0.0261653   125 ASN   B HB3  
3554 H HD21 . ASN   B 113 ? 0.528436 0.509073 0.343895 0.125164    0.0682907   0.00297181  125 ASN   B HD21 
3555 H HD22 . ASN   B 113 ? 0.490623 0.483965 0.338161 0.104435    0.0620995   0.0106895   125 ASN   B HD22 
3556 N N    . ALA   B 114 ? 0.354628 0.39831  0.271671 0.0507416   0.0753416   0.0443399   126 ALA   B N    
3557 C CA   . ALA   B 114 ? 0.404724 0.457357 0.351121 0.0323265   0.074279    0.0498626   126 ALA   B CA   
3558 C C    . ALA   B 114 ? 0.396848 0.437171 0.352912 0.02544     0.0577724   0.0407611   126 ALA   B C    
3559 O O    . ALA   B 114 ? 0.375992 0.392271 0.314006 0.0281512   0.0480078   0.0353209   126 ALA   B O    
3560 C CB   . ALA   B 114 ? 0.415209 0.452172 0.349749 0.0248125   0.0793997   0.0611591   126 ALA   B CB   
3561 H H    . ALA   B 114 ? 0.391008 0.416606 0.285061 0.0545543   0.0732419   0.0443107   126 ALA   B H    
3562 H HA   . ALA   B 114 ? 0.386879 0.464283 0.355238 0.0295759   0.081169    0.0517932   126 ALA   B HA   
3563 H HB1  . ALA   B 114 ? 0.434935 0.479522 0.360996 0.028725    0.0917144   0.0680676   126 ALA   B HB1  
3564 H HB2  . ALA   B 114 ? 0.423278 0.43898  0.338085 0.028674    0.0710383   0.0586153   126 ALA   B HB2  
3565 H HB3  . ALA   B 114 ? 0.410173 0.449722 0.364426 0.0125811   0.0787558   0.0642251   126 ALA   B HB3  
3566 N N    . THR   B 115 ? 0.348718 0.409137 0.334718 0.0162395   0.0555035   0.0385049   127 THR   B N    
3567 C CA   . THR   B 115 ? 0.311519 0.362774 0.307638 0.00661906  0.0435545   0.0316724   127 THR   B CA   
3568 C C    . THR   B 115 ? 0.306741 0.346682 0.312933 -0.00768685 0.0436439   0.0359621   127 THR   B C    
3569 O O    . THR   B 115 ? 0.351884 0.40241  0.374271 -0.01705    0.0521361   0.0435187   127 THR   B O    
3570 C CB   . THR   B 115 ? 0.358848 0.436147 0.376892 0.00578294  0.0395601   0.0261436   127 THR   B CB   
3571 O OG1  . THR   B 115 ? 0.355127 0.430708 0.356101 0.0222392   0.0375686   0.0230344   127 THR   B OG1  
3572 C CG2  . THR   B 115 ? 0.380926 0.450234 0.405205 -0.00320053 0.028225    0.0178968   127 THR   B CG2  
3573 H H    . THR   B 115 ? 0.350915 0.432965 0.351469 0.016473    0.0615903   0.0404628   127 THR   B H    
3574 H HA   . THR   B 115 ? 0.324212 0.359616 0.30532  0.011375    0.037925    0.0274237   127 THR   B HA   
3575 H HB   . THR   B 115 ? 0.352549 0.450838 0.388986 0.00180275  0.0450988   0.0292413   127 THR   B HB   
3577 H HG21 . THR   B 115 ? 0.368091 0.453911 0.402921 -0.00262511 0.0242067   0.014144    127 THR   B HG21 
3578 H HG22 . THR   B 115 ? 0.37089  0.423345 0.379047 0.00097003  0.0247451   0.0152404   127 THR   B HG22 
3579 H HG23 . THR   B 115 ? 0.371877 0.436254 0.405034 -0.0131058  0.0286634   0.0187094   127 THR   B HG23 
3580 N N    . LEU   B 116 ? 0.332771 0.350982 0.331427 -0.00928745 0.0344788   0.0305539   128 LEU   B N    
3581 C CA   . LEU   B 116 ? 0.339011 0.339021 0.342658 -0.0178014  0.032257    0.0332301   128 LEU   B CA   
3582 C C    . LEU   B 116 ? 0.351413 0.350586 0.371659 -0.0257399  0.0243843   0.0220873   128 LEU   B C    
3583 O O    . LEU   B 116 ? 0.315803 0.318958 0.33217  -0.0217624  0.0191423   0.0129302   128 LEU   B O    
3584 C CB   . LEU   B 116 ? 0.363921 0.340591 0.346346 -0.00989869 0.0273572   0.0351898   128 LEU   B CB   
3585 C CG   . LEU   B 116 ? 0.471873 0.444064 0.427886 0.00090021  0.031803    0.0430191   128 LEU   B CG   
3586 C CD1  . LEU   B 116 ? 0.45107  0.40159  0.390512 0.0071023   0.0228086   0.0441219   128 LEU   B CD1  
3587 C CD2  . LEU   B 116 ? 0.42803  0.410472 0.384087 -0.00180414 0.0461077   0.0555773   128 LEU   B CD2  
3588 H H    . LEU   B 116 ? 0.319165 0.333311 0.309994 -0.00440994 0.0297288   0.02493     128 LEU   B H    
3589 H HA   . LEU   B 116 ? 0.355569 0.358855 0.366474 -0.0235126  0.0389112   0.0407187   128 LEU   B HA   
3590 H HB2  . LEU   B 116 ? 0.369198 0.343768 0.350504 -0.00735003 0.021144    0.0270513   128 LEU   B HB2  
3591 H HB3  . LEU   B 116 ? 0.387691 0.352686 0.374411 -0.0139358  0.0261062   0.0382277   128 LEU   B HB3  
3592 H HG   . LEU   B 116 ? 0.428982 0.406759 0.378661 0.0065181   0.0305629   0.037486    128 LEU   B HG   
3593 H HD11 . LEU   B 116 ? 0.449724 0.398845 0.394685 0.00765266  0.0150594   0.0352154   128 LEU   B HD11 
3594 H HD12 . LEU   B 116 ? 0.473041 0.420201 0.392631 0.0147023   0.0236046   0.0469946   128 LEU   B HD12 
3595 H HD13 . LEU   B 116 ? 0.471575 0.412903 0.414543 0.00349253  0.0236687   0.0505538   128 LEU   B HD13 
3596 H HD21 . LEU   B 116 ? 0.43523  0.435369 0.399016 -0.00104544 0.0504019   0.0530182   128 LEU   B HD21 
3597 H HD22 . LEU   B 116 ? 0.448411 0.428122 0.417686 -0.0109967  0.0485376   0.060146    128 LEU   B HD22 
3598 H HD23 . LEU   B 116 ? 0.462295 0.436507 0.397438 0.00507488  0.0489657   0.0615732   128 LEU   B HD23 
3599 N N    . PHE   B 117 ? 0.328624 0.316854 0.362269 -0.0358514  0.0242863   0.0234469   129 PHE   B N    
3600 C CA   . PHE   B 117 ? 0.317916 0.299536 0.363905 -0.042172   0.0168994   0.0109608   129 PHE   B CA   
3601 C C    . PHE   B 117 ? 0.335933 0.288933 0.378943 -0.0408056  0.014333    0.0126708   129 PHE   B C    
3602 O O    . PHE   B 117 ? 0.369618 0.306711 0.409462 -0.0427866  0.0189039   0.025844    129 PHE   B O    
3603 C CB   . PHE   B 117 ? 0.315424 0.308819 0.384634 -0.0563323  0.0171448   0.0075259   129 PHE   B CB   
3604 C CG   . PHE   B 117 ? 0.346087 0.327531 0.425303 -0.0633659  0.00907442  -0.00716425 129 PHE   B CG   
3605 C CD1  . PHE   B 117 ? 0.402865 0.355837 0.48811  -0.0695123  0.00881906  -0.00643095 129 PHE   B CD1  
3606 C CD2  . PHE   B 117 ? 0.366047 0.359571 0.44125  -0.059967   0.00190166  -0.0217457  129 PHE   B CD2  
3607 C CE1  . PHE   B 117 ? 0.420601 0.359616 0.511598 -0.0727294  0.00130548  -0.0229553  129 PHE   B CE1  
3608 C CE2  . PHE   B 117 ? 0.35661  0.338251 0.43454  -0.0635177  -0.00466384 -0.0372235  129 PHE   B CE2  
3609 C CZ   . PHE   B 117 ? 0.361806 0.31753  0.449684 -0.0704407  -0.00514752 -0.0391751  129 PHE   B CZ   
3610 H H    . PHE   B 117 ? 0.346814 0.329391 0.380311 -0.0386494  0.0295043   0.0323715   129 PHE   B H    
3611 H HA   . PHE   B 117 ? 0.308981 0.296122 0.349944 -0.0376294  0.0131929   0.00324854  129 PHE   B HA   
3612 H HB2  . PHE   B 117 ? 0.312684 0.327144 0.385505 -0.0553747  0.0169173   0.00544375  129 PHE   B HB2  
3613 H HB3  . PHE   B 117 ? 0.334101 0.323197 0.408957 -0.0621031  0.0230812   0.0168629   129 PHE   B HB3  
3614 H HD1  . PHE   B 117 ? 0.40645  0.347742 0.490329 -0.0709383  0.0138891   0.00511023  129 PHE   B HD1  
3615 H HD2  . PHE   B 117 ? 0.342969 0.351654 0.411471 -0.0545499  0.0018258   -0.0210172  129 PHE   B HD2  
3616 H HE1  . PHE   B 117 ? 0.425149 0.342127 0.520928 -0.0766207  0.00089868  -0.0229378  129 PHE   B HE1  
3617 H HE2  . PHE   B 117 ? 0.355412 0.345895 0.427353 -0.0610839  -0.00880778 -0.0465293  129 PHE   B HE2  
3618 H HZ   . PHE   B 117 ? 0.387237 0.333122 0.475844 -0.071475   -0.00953615 -0.0512303  129 PHE   B HZ   
3619 N N    . PHE   B 118 ? 0.37106  0.317386 0.413445 -0.0357267  0.00802869  0.00064488  130 PHE   B N    
3620 C CA   . PHE   B 118 ? 0.40069  0.321815 0.445852 -0.0323799  0.00417447  -0.00079483 130 PHE   B CA   
3621 C C    . PHE   B 118 ? 0.388255 0.304936 0.44424  -0.0346792  0.0002863   -0.0179403  130 PHE   B C    
3622 O O    . PHE   B 118 ? 0.37561  0.309192 0.430077 -0.034387   -4.635e-05  -0.0289409  130 PHE   B O    
3623 C CB   . PHE   B 118 ? 0.361147 0.279721 0.395959 -0.01877    0.00019954  0.00026883  130 PHE   B CB   
3624 C CG   . PHE   B 118 ? 0.346954 0.26447  0.364568 -0.012806   0.00115232  0.0144107   130 PHE   B CG   
3625 C CD1  . PHE   B 118 ? 0.361707 0.297353 0.369667 -0.0118338  0.00419962  0.0150227   130 PHE   B CD1  
3626 C CD2  . PHE   B 118 ? 0.375813 0.271201 0.383122 -0.0065013  -0.00142821 0.0264893   130 PHE   B CD2  
3627 C CE1  . PHE   B 118 ? 0.363849 0.297138 0.352589 -0.00480248 0.00467581  0.0246154   130 PHE   B CE1  
3628 C CE2  . PHE   B 118 ? 0.4148   0.30967  0.399968 0.00104347  -0.00152961 0.0374101   130 PHE   B CE2  
3629 C CZ   . PHE   B 118 ? 0.384475 0.29864  0.360747 0.00117315  0.00212157  0.0356585   130 PHE   B CZ   
3630 H H    . PHE   B 118 ? 0.351074 0.30808  0.391224 -0.0335469  0.00673827  -0.00628621 130 PHE   B H    
3631 H HA   . PHE   B 118 ? 0.404947 0.312935 0.451204 -0.036348   0.00634681  0.00819455  130 PHE   B HA   
3632 H HB2  . PHE   B 118 ? 0.349773 0.281182 0.385097 -0.0170959  -0.00020935 -0.00778533 130 PHE   B HB2  
3633 H HB3  . PHE   B 118 ? 0.376214 0.280938 0.415313 -0.0145195  -0.00343943 -0.0022164  130 PHE   B HB3  
3634 H HD1  . PHE   B 118 ? 0.339553 0.286938 0.351915 -0.0147955  0.00548448  0.00844657  130 PHE   B HD1  
3635 H HD2  . PHE   B 118 ? 0.396452 0.276092 0.409395 -0.00562655 -0.00401794 0.026313    130 PHE   B HD2  
3636 H HE1  . PHE   B 118 ? 0.35714  0.299905 0.338649 -0.0032165  0.00669691  0.0239264   130 PHE   B HE1  
3637 H HE2  . PHE   B 118 ? 0.426507 0.305605 0.400348 0.00633077  -0.00354622 0.0465963   130 PHE   B HE2  
3638 H HZ   . PHE   B 118 ? 0.399007 0.311327 0.358166 0.00685089  0.00218539  0.0416963   130 PHE   B HZ   
3639 N N    . GLU   B 119 ? 0.403933 0.294149 0.466963 -0.0353031  -0.00225254 -0.0197061  131 GLU   B N    
3640 C CA   . GLU   B 119 ? 0.399956 0.280173 0.469066 -0.030065   -0.00608663 -0.037048   131 GLU   B CA   
3641 C C    . GLU   B 119 ? 0.446417 0.313618 0.514251 -0.0140929  -0.00933681 -0.0336114  131 GLU   B C    
3642 O O    . GLU   B 119 ? 0.457153 0.302463 0.520308 -0.0105912  -0.0113154  -0.0187829  131 GLU   B O    
3643 C CB   . GLU   B 119 ? 0.443806 0.299974 0.522838 -0.0408033  -0.00819561 -0.0434461  131 GLU   B CB   
3644 C CG   . GLU   B 119 ? 0.458483 0.297862 0.54161  -0.0343632  -0.0120607  -0.0636597  131 GLU   B CG   
3645 C CD   . GLU   B 119 ? 0.470855 0.285498 0.562857 -0.0477163  -0.0157878  -0.0744482  131 GLU   B CD   
3646 O OE1  . GLU   B 119 ? 0.504142 0.331495 0.598676 -0.0586528  -0.0186982  -0.0881478  131 GLU   B OE1  
3647 O OE2  . GLU   B 119 ? 0.529788 0.306786 0.62554  -0.0459102  -0.0171934  -0.0691189  131 GLU   B OE2  
3648 H H    . GLU   B 119 ? 0.417869 0.294376 0.480844 -0.0385287  -0.00080838 -0.0096024  131 GLU   B H    
3649 H HA   . GLU   B 119 ? 0.397816 0.295234 0.464968 -0.0292068  -0.00533552 -0.0463072  131 GLU   B HA   
3650 H HB2  . GLU   B 119 ? 0.433259 0.302107 0.51568  -0.051218   -0.00769185 -0.0457691  131 GLU   B HB2  
3651 H HB3  . GLU   B 119 ? 0.455596 0.29291  0.535173 -0.0426211  -0.00744135 -0.0318419  131 GLU   B HB3  
3652 H HG2  . GLU   B 119 ? 0.464916 0.290385 0.548108 -0.0234766  -0.0131475  -0.0611629  131 GLU   B HG2  
3653 H HG3  . GLU   B 119 ? 0.440987 0.29903  0.520455 -0.0308279  -0.0111872  -0.0739009  131 GLU   B HG3  
3654 N N    . ILE   B 120 ? 0.400653 0.282159 0.472808 -0.00436375 -0.00965721 -0.0470925  132 ILE   B N    
3655 C CA   . ILE   B 120 ? 0.417494 0.297983 0.495755 0.0115819   -0.0140043  -0.0475314  132 ILE   B CA   
3656 C C    . ILE   B 120 ? 0.461324 0.338009 0.552458 0.0208958   -0.0135457  -0.066547   132 ILE   B C    
3657 O O    . ILE   B 120 ? 0.405178 0.29886  0.496746 0.0171833   -0.00704567 -0.0807912  132 ILE   B O    
3658 C CB   . ILE   B 120 ? 0.380962 0.291538 0.458307 0.0142145   -0.0128992  -0.046065   132 ILE   B CB   
3659 C CG1  . ILE   B 120 ? 0.351615 0.264573 0.413212 0.00765949  -0.0129283  -0.0299633  132 ILE   B CG1  
3660 C CG2  . ILE   B 120 ? 0.398198 0.313285 0.489013 0.0303758   -0.0200093  -0.0492128  132 ILE   B CG2  
3661 C CD1  . ILE   B 120 ? 0.387033 0.324063 0.444898 0.00658924  -0.0111358  -0.0308499  132 ILE   B CD1  
3662 H H    . ILE   B 120 ? 0.402717 0.296702 0.474701 -0.00774107 -0.00690077 -0.0563905  132 ILE   B H    
3663 H HA   . ILE   B 120 ? 0.434475 0.297418 0.509444 0.0153272   -0.0180968  -0.0372159  132 ILE   B HA   
3664 H HB   . ILE   B 120 ? 0.369171 0.294281 0.448031 0.0103183   -0.00764839 -0.0546626  132 ILE   B HB   
3665 H HG12 . ILE   B 120 ? 0.381936 0.28221  0.439069 0.0130431   -0.0175918  -0.0210238  132 ILE   B HG12 
3666 H HG13 . ILE   B 120 ? 0.368854 0.278433 0.4261   -0.00107419 -0.00939539 -0.0275421  132 ILE   B HG13 
3667 H HG21 . ILE   B 120 ? 0.383667 0.312525 0.473071 0.030782    -0.0219988  -0.0455278  132 ILE   B HG21 
3668 H HG22 . ILE   B 120 ? 0.414585 0.310002 0.503467 0.0368679   -0.0257394  -0.0431232  132 ILE   B HG22 
3669 H HG23 . ILE   B 120 ? 0.394465 0.318611 0.497376 0.0342346   -0.0170547  -0.0613512  132 ILE   B HG23 
3670 H HD11 . ILE   B 120 ? 0.359434 0.306845 0.419744 0.00220235  -0.00601098 -0.0384232  132 ILE   B HD11 
3671 H HD12 . ILE   B 120 ? 0.366284 0.30262  0.412692 0.00332258  -0.0105557  -0.0220785  132 ILE   B HD12 
3672 H HD13 . ILE   B 120 ? 0.369361 0.311378 0.433529 0.0137306   -0.0156902  -0.0328694  132 ILE   B HD13 
3673 N N    . GLU   B 121 ? 0.462024 0.315747 0.560476 0.0347557   -0.0199987  -0.0662143  133 GLU   B N    
3674 C CA   . GLU   B 121 ? 0.436339 0.293427 0.55036  0.0495892   -0.019217   -0.0850734  133 GLU   B CA   
3675 C C    . GLU   B 121 ? 0.403589 0.283739 0.533787 0.0663619   -0.0239865  -0.0848073  133 GLU   B C    
3676 O O    . GLU   B 121 ? 0.510711 0.377841 0.639264 0.0765596   -0.034966   -0.0712864  133 GLU   B O    
3677 C CB   . GLU   B 121 ? 0.468121 0.281785 0.582789 0.0564795   -0.0239116  -0.0895326  133 GLU   B CB   
3678 C CG   . GLU   B 121 ? 0.52055  0.333362 0.650054 0.0746793   -0.0224816  -0.111369   133 GLU   B CG   
3679 C CD   . GLU   B 121 ? 0.575011 0.338207 0.704529 0.0847052   -0.027947   -0.118252   133 GLU   B CD   
3680 O OE1  . GLU   B 121 ? 0.623799 0.349986 0.741193 0.0709835   -0.0310728  -0.107617   133 GLU   B OE1  
3681 O OE2  . GLU   B 121 ? 0.54162  0.301502 0.684428 0.105805    -0.0283499  -0.134412   133 GLU   B OE2  
3682 H H    . GLU   B 121 ? 0.472585 0.30832  0.565664 0.0362087   -0.0243774  -0.0542627  133 GLU   B H    
3683 H HA   . GLU   B 121 ? 0.426589 0.299139 0.540491 0.0444163   -0.0123532  -0.0962335  133 GLU   B HA   
3684 H HB2  . GLU   B 121 ? 0.484315 0.284923 0.591338 0.0435281   -0.0218482  -0.0904779  133 GLU   B HB2  
3685 H HB3  . GLU   B 121 ? 0.492312 0.287913 0.604198 0.0620157   -0.0302163  -0.0765684  133 GLU   B HB3  
3686 H HG2  . GLU   B 121 ? 0.505564 0.336675 0.646955 0.0871988   -0.0245     -0.11104    133 GLU   B HG2  
3687 H HG3  . GLU   B 121 ? 0.50268  0.332715 0.631281 0.0693276   -0.0150897  -0.12382    133 GLU   B HG3  
3688 N N    . LEU   B 122 ? 0.42617  0.340454 0.571537 0.0691625   -0.0160711  -0.0994575  134 LEU   B N    
3689 C CA   . LEU   B 122 ? 0.443328 0.387883 0.613869 0.0833235   -0.0198477  -0.10347    134 LEU   B CA   
3690 C C    . LEU   B 122 ? 0.441844 0.376945 0.63237  0.106867    -0.024784   -0.115236   134 LEU   B C    
3691 O O    . LEU   B 122 ? 0.467012 0.406334 0.666359 0.112516    -0.0146235  -0.133337   134 LEU   B O    
3692 C CB   . LEU   B 122 ? 0.415471 0.40255  0.598399 0.0744884   -0.00659155 -0.112925   134 LEU   B CB   
3693 C CG   . LEU   B 122 ? 0.368052 0.393358 0.584188 0.083779    -0.00986213 -0.117878   134 LEU   B CG   
3694 C CD1  . LEU   B 122 ? 0.362383 0.384074 0.575731 0.0866106   -0.0281105  -0.103343   134 LEU   B CD1  
3695 C CD2  . LEU   B 122 ? 0.397403 0.455329 0.618993 0.0677248   0.00630837  -0.122616   134 LEU   B CD2  
3696 H H    . LEU   B 122 ? 0.415841 0.336553 0.556716 0.0618416   -0.00788313 -0.107376   134 LEU   B H    
3697 H HA   . LEU   B 122 ? 0.428701 0.371271 0.595194 0.0839966   -0.0286981  -0.0915547  134 LEU   B HA   
3698 H HB2  . LEU   B 122 ? 0.39256  0.380526 0.560466 0.0610088   -0.00426949 -0.10494    134 LEU   B HB2  
3699 H HB3  . LEU   B 122 ? 0.413175 0.402126 0.596512 0.0748328   0.00299925  -0.12429    134 LEU   B HB3  
3700 H HG   . LEU   B 122 ? 0.39615  0.426795 0.630764 0.0981538   -0.0101513  -0.127917   134 LEU   B HG   
3701 H HD11 . LEU   B 122 ? 0.382998 0.386385 0.5955   0.0998118   -0.0381997  -0.100317   134 LEU   B HD11 
3702 H HD12 . LEU   B 122 ? 0.35437  0.404104 0.587929 0.0873533   -0.0300176  -0.107411   134 LEU   B HD12 
3703 H HD13 . LEU   B 122 ? 0.356548 0.365856 0.547941 0.0749514   -0.0278359  -0.0933585  134 LEU   B HD13 
3704 H HD21 . LEU   B 122 ? 0.386123 0.442257 0.600465 0.0651812   0.0179494   -0.129721   134 LEU   B HD21 
3705 H HD22 . LEU   B 122 ? 0.369675 0.422434 0.575311 0.0560459   0.00470256  -0.112764   134 LEU   B HD22 
3706 H HD23 . LEU   B 122 ? 0.376385 0.461767 0.624206 0.0717679   0.00686748  -0.128433   134 LEU   B HD23 
3707 N N    . LEU   B 123 ? 0.46554  0.384859 0.660117 0.123421    -0.0408674  -0.105303   135 LEU   B N    
3708 C CA   . LEU   B 123 ? 0.527669 0.431153 0.739058 0.149429    -0.0474815  -0.115157   135 LEU   B CA   
3709 C C    . LEU   B 123 ? 0.523446 0.478052 0.775183 0.166022    -0.0473597  -0.130426   135 LEU   B C    
3710 O O    . LEU   B 123 ? 0.614977 0.579367 0.888089 0.181119    -0.0395637  -0.149668   135 LEU   B O    
3711 C CB   . LEU   B 123 ? 0.563595 0.424927 0.758801 0.162393    -0.0652028  -0.0961419  135 LEU   B CB   
3712 C CG   . LEU   B 123 ? 0.545585 0.358611 0.705886 0.144398    -0.0631694  -0.0792638  135 LEU   B CG   
3713 C CD1  . LEU   B 123 ? 0.602393 0.38156  0.741546 0.15417     -0.0780533  -0.0547832  135 LEU   B CD1  
3714 C CD2  . LEU   B 123 ? 0.631488 0.409311 0.790969 0.145395    -0.0564686  -0.0929162  135 LEU   B CD2  
3715 H H    . LEU   B 123 ? 0.465941 0.383139 0.651128 0.12013     -0.0480201  -0.0925628  135 LEU   B H    
3716 H HA   . LEU   B 123 ? 0.536796 0.423333 0.743562 0.148068    -0.0399523  -0.124704   135 LEU   B HA   
3717 H HB2  . LEU   B 123 ? 0.545155 0.424449 0.742989 0.165385    -0.0737637  -0.0882634  135 LEU   B HB2  
3718 H HB3  . LEU   B 123 ? 0.58236  0.430371 0.788102 0.181353    -0.0701332  -0.102566   135 LEU   B HB3  
3719 H HG   . LEU   B 123 ? 0.538786 0.367109 0.691206 0.12601     -0.0560145  -0.0766325  135 LEU   B HG   
3720 H HD11 . LEU   B 123 ? 0.579714 0.383758 0.720351 0.156642    -0.0841293  -0.0498372  135 LEU   B HD11 
3721 H HD12 . LEU   B 123 ? 0.602948 0.356793 0.721922 0.139954    -0.0739957  -0.0431733  135 LEU   B HD12 
3722 H HD13 . LEU   B 123 ? 0.627104 0.384847 0.770667 0.172541    -0.0853883  -0.0559032  135 LEU   B HD13 
3723 H HD21 . LEU   B 123 ? 0.594857 0.393986 0.761274 0.137949    -0.0466636  -0.107141   135 LEU   B HD21 
3724 H HD22 . LEU   B 123 ? 0.639803 0.405049 0.809243 0.165292    -0.0625289  -0.0981202  135 LEU   B HD22 
3725 H HD23 . LEU   B 123 ? 0.628754 0.374375 0.770302 0.133883    -0.0560581  -0.0827447  135 LEU   B HD23 
3726 N N    . ASP   B 124 ? 0.52063  0.51099  0.784893 0.162158    -0.0549074  -0.123786   136 ASP   B N    
3727 C CA   . ASP   B 124 ? 0.518912 0.562723 0.828546 0.175461    -0.0569783  -0.137804   136 ASP   B CA   
3728 C C    . ASP   B 124 ? 0.48152  0.558972 0.797608 0.160392    -0.0636557  -0.130607   136 ASP   B C    
3729 O O    . ASP   B 124 ? 0.465791 0.51924  0.749345 0.149236    -0.071596   -0.114007   136 ASP   B O    
3730 C CB   . ASP   B 124 ? 0.576125 0.610213 0.90416  0.209227    -0.0751374  -0.140571   136 ASP   B CB   
3731 C CG   . ASP   B 124 ? 0.605789 0.694976 0.989092 0.229854    -0.0752629  -0.160614   136 ASP   B CG   
3732 O OD1  . ASP   B 124 ? 0.540939 0.677295 0.950868 0.216089    -0.0558652  -0.174358   136 ASP   B OD1  
3733 O OD2  . ASP   B 124 ? 0.703655 0.78717  1.1024   0.260134    -0.0941525  -0.161346   136 ASP   B OD2  
3734 H H    . ASP   B 124 ? 0.507911 0.489992 0.753618 0.150935    -0.0589158  -0.111341   136 ASP   B H    
3735 H HA   . ASP   B 124 ? 0.511502 0.574831 0.834915 0.172035    -0.0415341  -0.150836   136 ASP   B HA   
3736 H HB2  . ASP   B 124 ? 0.601698 0.599769 0.91509  0.216341    -0.0730799  -0.140941   136 ASP   B HB2  
3737 H HB3  . ASP   B 124 ? 0.585168 0.608371 0.9017   0.213142    -0.0910301  -0.127734   136 ASP   B HB3  
3738 N N    . PHE   B 125 ? 0.441989 0.575101 0.801917 0.160377    -0.060116   -0.144282   137 PHE   B N    
3739 C CA   . PHE   B 125 ? 0.428571 0.594729 0.80334  0.149172    -0.070804   -0.141671   137 PHE   B CA   
3740 C C    . PHE   B 125 ? 0.434829 0.659617 0.870519 0.162851    -0.0766162  -0.15881    137 PHE   B C    
3741 O O    . PHE   B 125 ? 0.457735 0.704609 0.924793 0.175419    -0.0636802  -0.173469   137 PHE   B O    
3742 C CB   . PHE   B 125 ? 0.388357 0.562993 0.750176 0.117353    -0.0525464  -0.139094   137 PHE   B CB   
3743 C CG   . PHE   B 125 ? 0.367735 0.564155 0.74453  0.105861    -0.0237457  -0.150841   137 PHE   B CG   
3744 C CD1  . PHE   B 125 ? 0.422248 0.586616 0.768037 0.104236    -0.00817408 -0.150406   137 PHE   B CD1  
3745 C CD2  . PHE   B 125 ? 0.415622 0.663766 0.835434 0.0956963   -0.0121246  -0.162194   137 PHE   B CD2  
3746 C CE1  . PHE   B 125 ? 0.393776 0.577404 0.746867 0.0964517   0.0176495   -0.161568   137 PHE   B CE1  
3747 C CE2  . PHE   B 125 ? 0.440701 0.707627 0.869321 0.0858728   0.0172324   -0.17103    137 PHE   B CE2  
3748 C CZ   . PHE   B 125 ? 0.438607 0.672229 0.830205 0.0874006   0.0315582   -0.170357   137 PHE   B CZ   
3749 H H    . PHE   B 125 ? 0.450796 0.602368 0.8334   0.167115    -0.050082   -0.15668    137 PHE   B H    
3750 H HA   . PHE   B 125 ? 0.438    0.582743 0.791963 0.154331    -0.0875484  -0.130589   137 PHE   B HA   
3751 H HB2  . PHE   B 125 ? 0.380922 0.577852 0.757128 0.110843    -0.0602912  -0.139884   137 PHE   B HB2  
3752 H HB3  . PHE   B 125 ? 0.389785 0.530932 0.715164 0.110094    -0.0528336  -0.127603   137 PHE   B HB3  
3753 H HD1  . PHE   B 125 ? 0.41591  0.545982 0.736157 0.109119    -0.0155628  -0.143182   137 PHE   B HD1  
3754 H HD2  . PHE   B 125 ? 0.401728 0.672973 0.845155 0.0954027   -0.0239112  -0.164181   137 PHE   B HD2  
3755 H HE1  . PHE   B 125 ? 0.420515 0.582649 0.750695 0.09601     0.026124    -0.162691   137 PHE   B HE1  
3756 H HE2  . PHE   B 125 ? 0.423681 0.725882 0.882379 0.0775181   0.0272826   -0.177501   137 PHE   B HE2  
3757 H HZ   . PHE   B 125 ? 0.42981  0.675265 0.822673 0.0818246   0.0510398   -0.176337   137 PHE   B HZ   
3758 N N    . LYS   B 126 ? 0.48147  0.73096  0.933373 0.162725    -0.0983299  -0.157793   138 LYS   B N    
3759 C CA   . LYS   B 126 ? 0.473628 0.780384 0.986413 0.179057    -0.112495   -0.173573   138 LYS   B CA   
3760 C C    . LYS   B 126 ? 0.408775 0.749705 0.939487 0.156096    -0.120975   -0.176538   138 LYS   B C    
3761 O O    . LYS   B 126 ? 0.401495 0.710037 0.888938 0.146032    -0.133248   -0.163609   138 LYS   B O    
3762 C CB   . LYS   B 126 ? 0.44534  0.73633  0.956313 0.216206    -0.142336   -0.170039   138 LYS   B CB   
3763 H H    . LYS   B 126 ? 0.462719 0.694077 0.887503 0.152506    -0.105201   -0.147941   138 LYS   B H    
3764 H HA   . LYS   B 126 ? 0.448221 0.781665 0.991707 0.179846    -0.0955049  -0.185205   138 LYS   B HA   
3767 N N    . GLY   B 127 ? 0.417603 0.823258 1.01313  0.148822    -0.114462   -0.19439    139 GLY   B N    
3768 C CA   . GLY   B 127 ? 0.418211 0.860116 1.0414   0.125721    -0.123511   -0.200992   139 GLY   B CA   
3769 C C    . GLY   B 127 ? 0.452022 0.900667 1.07743  0.143932    -0.165386   -0.202085   139 GLY   B C    
3770 O O    . GLY   B 127 ? 0.470558 0.929651 1.113    0.176672    -0.184246   -0.205593   139 GLY   B O    
3771 H H    . GLY   B 127 ? 0.415926 0.843986 1.04065  0.158209    -0.103377   -0.203431   139 GLY   B H    
3772 H HA2  . GLY   B 127 ? 0.409561 0.826177 1.00097  0.104844    -0.113717   -0.192861   139 GLY   B HA2  
3773 H HA3  . GLY   B 127 ? 0.409559 0.896899 1.08161  0.118582    -0.11164    -0.213451   139 GLY   B HA3  
3774 N N    . GLU   B 128 ? 0.485688 0.92546  1.09034  0.124757    -0.180075   -0.199469   140 GLU   B N    
3775 C CA   . GLU   B 128 ? 0.521743 0.977203 1.13224  0.137891    -0.220472   -0.205134   140 GLU   B CA   
3776 C C    . GLU   B 128 ? 0.579457 1.1125   1.27606  0.150239    -0.234662   -0.227581   140 GLU   B C    
3777 O O    . GLU   B 128 ? 0.634476 1.21154  1.38676  0.134326    -0.207491   -0.239314   140 GLU   B O    
3778 C CB   . GLU   B 128 ? 0.43204  0.869264 1.01187  0.110118    -0.227178   -0.203727   140 GLU   B CB   
3779 O OXT  . GLU   B 128 ? 0.668443 1.21705  1.3738   0.177321    -0.271875   -0.232224   140 GLU   B OXT  
3780 H H    . GLU   B 128 ? 0.468092 0.890053 1.05209  0.103365    -0.164566   -0.194526   140 GLU   B H    
3781 H HA   . GLU   B 128 ? 0.529099 0.952853 1.10353  0.159855    -0.234507   -0.194602   140 GLU   B HA   
3784 C C4   . A1INK C .   ? 0.399927 0.385092 0.343292 -0.0075659  -0.00557985 0.0841642   201 A1INK A C4   
3785 C C14  . A1INK C .   ? 0.438503 0.429321 0.392872 -0.0377973  0.0323802   0.0896571   201 A1INK A C14  
3786 C C5   . A1INK C .   ? 0.377929 0.355783 0.335747 -0.0114294  -0.0131425  0.10381     201 A1INK A C5   
3787 C C6   . A1INK C .   ? 0.441235 0.433667 0.382457 -0.0264098  -0.0107042  0.123974    201 A1INK A C6   
3788 C C11  . A1INK C .   ? 0.516188 0.465719 0.539603 -0.0426829  -0.0234197  0.174817    201 A1INK A C11  
3789 C C7   . A1INK C .   ? 0.418743 0.432943 0.32693  -0.0362545  -0.00108028 0.118439    201 A1INK A C7   
3790 C C8   . A1INK C .   ? 0.469136 0.512682 0.342312 -0.0604026  0.0161087   0.137628    201 A1INK A C8   
3791 C C9   . A1INK C .   ? 0.531932 0.494484 0.523803 -0.0243185  -0.0326522  0.158787    201 A1INK A C9   
3792 C C10  . A1INK C .   ? 0.494213 0.452406 0.499707 -0.0386972  -0.0333291  0.187051    201 A1INK A C10  
3793 C C12  . A1INK C .   ? 0.460979 0.427531 0.452633 -0.0358629  0.00236121  0.125071    201 A1INK A C12  
3794 C C13  . A1INK C .   ? 0.484032 0.471981 0.450053 -0.0437436  0.0206283   0.116999    201 A1INK A C13  
3795 N N1   . A1INK C .   ? 0.507248 0.477482 0.503341 -0.0465777  -0.00322305 0.155074    201 A1INK A N1   
3796 N N2   . A1INK C .   ? 0.530883 0.538964 0.481071 -0.0581804  0.0263369   0.13979     201 A1INK A N2   
3797 C C3   . A1INK C .   ? 0.382469 0.38451  0.298681 -0.0188958  0.00349351  0.0804386   201 A1INK A C3   
3798 N N3   . A1INK C .   ? 0.523171 0.521306 0.490033 -0.0606995  0.0116044   0.165859    201 A1INK A N3   
3799 C C1   . A1INK C .   ? 0.418192 0.452654 0.281681 -0.0415639  0.0152052   0.0674523   201 A1INK A C1   
3800 O O1   . A1INK C .   ? 0.430884 0.466262 0.299612 -0.0431872  0.0108299   0.0888126   201 A1INK A O1   
3801 C C2   . A1INK C .   ? 0.443049 0.459983 0.340732 -0.0324448  0.00489571  0.0950028   201 A1INK A C2   
3802 O O2   . A1INK C .   ? 0.459708 0.493358 0.34637  -0.0496284  -0.00111759 0.139104    201 A1INK A O2   
3803 O O3   . A1INK C .   ? 0.461291 0.450018 0.414699 -0.033353   -0.0182296  0.151365    201 A1INK A O3   
3804 C C15  . A1INK C .   ? 0.441447 0.444266 0.362505 -0.0388981  0.036744    0.0807289   201 A1INK A C15  
3805 C C16  . A1INK C .   ? 0.434708 0.429581 0.351282 -0.030042   0.041414    0.0560479   201 A1INK A C16  
3806 O O4   . A1INK C .   ? 0.371775 0.350884 0.302814 -0.0172474  0.0290083   0.0525855   201 A1INK A O4   
3807 C C17  . A1INK C .   ? 0.376133 0.345924 0.310419 -0.0081595  0.0315956   0.0363701   201 A1INK A C17  
3808 O O5   . A1INK C .   ? 0.359106 0.328884 0.288966 -0.00914101 0.0413118   0.02563     201 A1INK A O5   
3809 C C18  . A1INK C .   ? 0.347645 0.30706  0.294491 0.00565126  0.0199002   0.0333016   201 A1INK A C18  
3810 C C19  . A1INK C .   ? 0.379473 0.326963 0.34536  0.0132033   0.0163338   0.0257011   201 A1INK A C19  
3811 C C20  . A1INK C .   ? 0.35507  0.298044 0.343104 0.00771478  0.0104609   0.0359706   201 A1INK A C20  
3812 C C21  . A1INK C .   ? 0.354214 0.291344 0.351435 0.010236    -0.00210298 0.0468511   201 A1INK A C21  
3813 C C22  . A1INK C .   ? 0.356926 0.307667 0.333904 0.00439581  0.00082958  0.057729    201 A1INK A C22  
3814 N N4   . A1INK C .   ? 0.360455 0.320561 0.316059 0.00726587  0.00843107  0.0457533   201 A1INK A N4   
3815 C C23  . A1INK C .   ? 0.354839 0.326705 0.300199 0.00687594  0.00594431  0.0498168   201 A1INK A C23  
3816 O O6   . A1INK C .   ? 0.392114 0.372928 0.322234 0.00398354  0.012742    0.0425817   201 A1INK A O6   
3817 C C24  . A1INK C .   ? 0.371394 0.345716 0.328448 0.00848586  -0.00704331 0.0658958   201 A1INK A C24  
3818 C C25  . A1INK C .   ? 0.357682 0.345354 0.316235 0.0171355   -0.0123696  0.0632632   201 A1INK A C25  
3819 C C26  . A1INK C .   ? 0.37098  0.364724 0.342852 0.019873    -0.0265705  0.0801453   201 A1INK A C26  
3820 C C27  . A1INK C .   ? 0.398524 0.411113 0.379708 0.0305446   -0.0314921  0.0760825   201 A1INK A C27  
3821 C C28  . A1INK C .   ? 0.363212 0.371208 0.358566 0.0488994   -0.0291336  0.0576419   201 A1INK A C28  
3822 C C29  . A1INK C .   ? 0.346278 0.348877 0.322241 0.0431587   -0.0150946  0.0450978   201 A1INK A C29  
3823 C C30  . A1INK C .   ? 0.336068 0.318558 0.307009 0.034838    -0.013113   0.0469706   201 A1INK A C30  
3824 H H17  . A1INK C .   ? 0.431921 0.408659 0.399223 -0.028068   0.0262677   0.0790463   201 A1INK A H17  
3825 H H16  . A1INK C .   ? 0.446761 0.446182 0.40428  -0.042902   0.0426865   0.0879835   201 A1INK A H16  
3826 H H5   . A1INK C .   ? 0.398773 0.362157 0.377702 -0.00406881 -0.0205315  0.104064    201 A1INK A H5   
3827 H H14  . A1INK C .   ? 0.503259 0.434436 0.546936 -0.0317725  -0.0313     0.16028     201 A1INK A H14  
3828 H H13  . A1INK C .   ? 0.528097 0.476649 0.56449  -0.0533215  -0.0236733  0.194809    201 A1INK A H13  
3829 H H7   . A1INK C .   ? 0.490529 0.551479 0.344308 -0.0695058  0.0171636   0.151233    201 A1INK A H7   
3830 H H8   . A1INK C .   ? 0.466207 0.49873  0.360163 -0.0595196  0.0172963   0.143442    201 A1INK A H8   
3831 H H6   . A1INK C .   ? 0.458463 0.503771 0.32239  -0.0593364  0.0253049   0.117173    201 A1INK A H6   
3832 H H9   . A1INK C .   ? 0.505674 0.465457 0.505125 -0.0164202  -0.0443782  0.163743    201 A1INK A H9   
3833 H H10  . A1INK C .   ? 0.484534 0.435641 0.487965 -0.0166169  -0.0309199  0.140453    201 A1INK A H10  
3834 H H11  . A1INK C .   ? 0.526921 0.504618 0.50946  -0.0496788  -0.0268107  0.200779    201 A1INK A H11  
3835 H H12  . A1INK C .   ? 0.529383 0.472522 0.556821 -0.0348607  -0.0474288  0.200944    201 A1INK A H12  
3836 H H15  . A1INK C .   ? 0.461327 0.413722 0.46581  -0.0250311  -0.00472263 0.112345    201 A1INK A H15  
3837 H H4   . A1INK C .   ? 0.387113 0.391313 0.297268 -0.017303   0.0076189   0.0682027   201 A1INK A H4   
3838 H H2   . A1INK C .   ? 0.430391 0.476397 0.274941 -0.0499912  0.0176189   0.0623128   201 A1INK A H2   
3839 H H3   . A1INK C .   ? 0.408045 0.431064 0.277522 -0.0379212  0.0229872   0.0569995   201 A1INK A H3   
3840 H H1   . A1INK C .   ? 0.410662 0.445308 0.284669 -0.0358024  0.00760718  0.0685322   201 A1INK A H1   
3841 H H19  . A1INK C .   ? 0.456255 0.474718 0.361749 -0.0476671  0.0455007   0.0841712   201 A1INK A H19  
3842 H H18  . A1INK C .   ? 0.446966 0.448606 0.365541 -0.0373474  0.0269869   0.0887585   201 A1INK A H18  
3843 H H21  . A1INK C .   ? 0.416036 0.409693 0.339959 -0.0291125  0.0488026   0.0483874   201 A1INK A H21  
3844 H H20  . A1INK C .   ? 0.424501 0.427038 0.322481 -0.0335828  0.0448664   0.0503594   201 A1INK A H20  
3845 H H22  . A1INK C .   ? 0.353957 0.315207 0.291996 0.0092003   0.0218897   0.0269493   201 A1INK A H22  
3846 H H24  . A1INK C .   ? 0.359993 0.308366 0.322517 0.0121017   0.0233878   0.0195771   201 A1INK A H24  
3847 H H23  . A1INK C .   ? 0.360733 0.303449 0.32911  0.023267    0.0101932   0.0193363   201 A1INK A H23  
3848 H H25  . A1INK C .   ? 0.358046 0.294161 0.360318 0.0123519   0.00636016  0.029065    201 A1INK A H25  
3849 H H26  . A1INK C .   ? 0.363786 0.315228 0.348553 -0.0023159  0.018427    0.0429034   201 A1INK A H26  
3850 H H27  . A1INK C .   ? 0.354589 0.284629 0.357209 0.0215621   -0.00937127 0.0373984   201 A1INK A H27  
3851 H H28  . A1INK C .   ? 0.365401 0.297423 0.379047 0.00486883  -0.00635244 0.0563452   201 A1INK A H28  
3852 H H29  . A1INK C .   ? 0.366956 0.31385  0.35307  0.00899162  -0.00883804 0.063921    201 A1INK A H29  
3853 H H30  . A1INK C .   ? 0.36795  0.326338 0.338841 -0.00658006 0.00622878  0.0679156   201 A1INK A H30  
3854 H H31  . A1INK C .   ? 0.374162 0.33578  0.348874 0.0146496   -0.0137025  0.0668786   201 A1INK A H31  
3855 H H32  . A1INK C .   ? 0.353599 0.352494 0.297312 0.010164    -0.00616406 0.0603835   201 A1INK A H32  
3856 H H33  . A1INK C .   ? 0.385017 0.364332 0.373793 0.0258963   -0.0335652  0.0836521   201 A1INK A H33  
3857 H H34  . A1INK C .   ? 0.386899 0.387841 0.346807 0.00856405  -0.0266743  0.0917626   201 A1INK A H34  
3858 H H36  . A1INK C .   ? 0.380536 0.407506 0.347876 0.0224973   -0.0259639  0.0740529   201 A1INK A H36  
3859 H H35  . A1INK C .   ? 0.395833 0.411711 0.388585 0.0334609   -0.0421157  0.0878048   201 A1INK A H35  
3860 H H38  . A1INK C .   ? 0.365697 0.390595 0.367702 0.0555015   -0.0297254  0.0550222   201 A1INK A H38  
3861 H H37  . A1INK C .   ? 0.375531 0.368362 0.386074 0.0575258   -0.0363295  0.0566465   201 A1INK A H37  
3862 H H40  . A1INK C .   ? 0.340216 0.35472  0.30389  0.0342208   -0.00904094 0.0461003   201 A1INK A H40  
3863 H H39  . A1INK C .   ? 0.341365 0.344309 0.321574 0.0543231   -0.0131689  0.0341546   201 A1INK A H39  
3864 H H41  . A1INK C .   ? 0.347785 0.317575 0.333676 0.0420518   -0.0202358  0.0461453   201 A1INK A H41  
3865 H H42  . A1INK C .   ? 0.335299 0.31525  0.29699  0.0336989   -0.00531492 0.0382903   201 A1INK A H42  
3866 C C4   . A1INK D .   ? 0.571525 0.404135 0.412725 0.0410861   0.00282359  0.105052    201 A1INK B C4   
3867 C C14  . A1INK D .   ? 0.706078 0.542334 0.545428 0.09458     -0.0777588  0.068853    201 A1INK B C14  
3868 C C5   . A1INK D .   ? 0.580003 0.380364 0.404608 0.0486783   -0.00240481 0.120162    201 A1INK B C5   
3869 C C6   . A1INK D .   ? 0.651482 0.432859 0.429877 0.0643106   -0.00672394 0.134884    201 A1INK B C6   
3870 C C11  . A1INK D .   ? 0.892386 0.595151 0.680179 0.105265    -0.0579159  0.14395     201 A1INK B C11  
3871 C C7   . A1INK D .   ? 0.667504 0.462349 0.415005 0.0717915   -0.00484625 0.133067    201 A1INK B C7   
3872 C C8   . A1INK D .   ? 0.790101 0.561906 0.476254 0.106853    -0.0385653  0.136093    201 A1INK B C8   
3873 C C9   . A1INK D .   ? 0.802122 0.526327 0.587638 0.0689903   -0.0151843  0.153711    201 A1INK B C9   
3874 C C10  . A1INK D .   ? 0.844697 0.531757 0.605996 0.0896071   -0.0319592  0.166223    201 A1INK B C10  
3875 C C12  . A1INK D .   ? 0.75187  0.530782 0.580785 0.0959835   -0.0650522  0.102091    201 A1INK B C12  
3876 C C13  . A1INK D .   ? 0.779602 0.580936 0.595798 0.103849    -0.0771272  0.0907866   201 A1INK B C13  
3877 N N1   . A1INK D .   ? 0.806647 0.55025  0.599917 0.109228    -0.0688414  0.123536    201 A1INK B N1   
3878 N N2   . A1INK D .   ? 0.824829 0.60695  0.597722 0.122523    -0.0896745  0.103652    201 A1INK B N2   
3879 C C3   . A1INK D .   ? 0.601894 0.445777 0.413895 0.048754    0.00558417  0.104558    201 A1INK B C3   
3880 N N3   . A1INK D .   ? 0.772655 0.518743 0.528806 0.126493    -0.0837417  0.125494    201 A1INK B N3   
3881 C C1   . A1INK D .   ? 0.613129 0.469845 0.357195 0.0686015   0.0101188   0.100982    201 A1INK B C1   
3882 O O1   . A1INK D .   ? 0.650814 0.481989 0.380238 0.0743255   0.00256168  0.115481    201 A1INK B O1   
3883 C C2   . A1INK D .   ? 0.622129 0.447386 0.387737 0.0636213   0.00211391  0.117538    201 A1INK B C2   
3884 O O2   . A1INK D .   ? 0.738092 0.514221 0.433606 0.0886952   -0.00994607 0.146103    201 A1INK B O2   
3885 O O3   . A1INK D .   ? 0.739322 0.485881 0.496048 0.0760285   -0.0152122  0.15059     201 A1INK B O3   
3886 C C15  . A1INK D .   ? 0.658604 0.500127 0.469632 0.0884963   -0.0645117  0.0721148   201 A1INK B C15  
3887 C C16  . A1INK D .   ? 0.575401 0.44223  0.4123   0.074572    -0.0564944  0.0556006   201 A1INK B C16  
3888 O O4   . A1INK D .   ? 0.510197 0.381575 0.380802 0.0600141   -0.0431074  0.055179    201 A1INK B O4   
3889 C C17  . A1INK D .   ? 0.485933 0.377912 0.385264 0.0507345   -0.0418166  0.0390754   201 A1INK B C17  
3890 O O5   . A1INK D .   ? 0.504382 0.409539 0.407422 0.0520367   -0.0502612  0.02567     201 A1INK B O5   
3891 C C18  . A1INK D .   ? 0.460411 0.3542   0.385736 0.0375396   -0.0287614  0.0399804   201 A1INK B C18  
3892 C C19  . A1INK D .   ? 0.498291 0.397981 0.455357 0.0369251   -0.0358537  0.0272865   201 A1INK B C19  
3893 C C20  . A1INK D .   ? 0.503103 0.385578 0.460781 0.0492649   -0.0471665  0.0318961   201 A1INK B C20  
3894 C C21  . A1INK D .   ? 0.527941 0.381974 0.472988 0.0467096   -0.0385008  0.0496169   201 A1INK B C21  
3895 C C22  . A1INK D .   ? 0.539683 0.386936 0.452089 0.0442969   -0.0285452  0.0659704   201 A1INK B C22  
3896 N N4   . A1INK D .   ? 0.476415 0.349182 0.38983  0.0356157   -0.0196606  0.0582167   201 A1INK B N4   
3897 C C23  . A1INK D .   ? 0.477827 0.351337 0.375342 0.029849    -0.00475931 0.0698689   201 A1INK B C23  
3898 O O6   . A1INK D .   ? 0.512941 0.404327 0.406072 0.0284504   0.0003661   0.0640961   201 A1INK B O6   
3899 C C24  . A1INK D .   ? 0.520171 0.370957 0.404776 0.0255108   0.00726118  0.0913648   201 A1INK B C24  
3900 C C25  . A1INK D .   ? 0.504492 0.371161 0.399989 0.0101965   0.0274733   0.0970904   201 A1INK B C25  
3901 C C26  . A1INK D .   ? 0.583902 0.430208 0.467294 0.00299263  0.0428023   0.119872    201 A1INK B C26  
3902 C C27  . A1INK D .   ? 0.602455 0.47317  0.505373 -0.0131974  0.06293     0.123833    201 A1INK B C27  
3903 C C28  . A1INK D .   ? 0.521329 0.411936 0.466791 -0.0269351  0.0600403   0.107787    201 A1INK B C28  
3904 C C29  . A1INK D .   ? 0.490576 0.395297 0.44285  -0.0181837  0.0443651   0.0868467   201 A1INK B C29  
3905 C C30  . A1INK D .   ? 0.476367 0.359849 0.411072 -0.00386019 0.0285801   0.0835103   201 A1INK B C30  
3906 H H17  . A1INK D .   ? 0.670724 0.515668 0.539344 0.0843303   -0.070863   0.0619404   201 A1INK B H17  
3907 H H16  . A1INK D .   ? 0.700387 0.547511 0.544751 0.103179    -0.0938111  0.058369    201 A1INK B H16  
3908 H H5   . A1INK D .   ? 0.59431  0.384009 0.437621 0.0446698   -0.00436957 0.119619    201 A1INK B H5   
3909 H H14  . A1INK D .   ? 0.840441 0.545994 0.660642 0.0970121   -0.0553946  0.134601    201 A1INK B H14  
3910 H H13  . A1INK D .   ? 0.900611 0.582069 0.670786 0.121403    -0.0701683  0.152309    201 A1INK B H13  
3911 H H7   . A1INK D .   ? 0.815624 0.576444 0.461904 0.11927     -0.0429949  0.143809    201 A1INK B H7   
3912 H H8   . A1INK D .   ? 0.780992 0.539829 0.481254 0.108517    -0.0453068  0.139676    201 A1INK B H8   
3913 H H6   . A1INK D .   ? 0.743846 0.536865 0.449394 0.105564    -0.0471012  0.117609    201 A1INK B H6   
3914 H H9   . A1INK D .   ? 0.793    0.508498 0.582208 0.0551458   0.00138952  0.164275    201 A1INK B H9   
3915 H H10  . A1INK D .   ? 0.746225 0.487615 0.563654 0.0649689   -0.020817   0.136564    201 A1INK B H10  
3916 H H11  . A1INK D .   ? 0.895323 0.573618 0.619125 0.0998716   -0.0334612  0.177919    201 A1INK B H11  
3917 H H12  . A1INK D .   ? 0.884787 0.545285 0.649758 0.0834832   -0.0245     0.17763     201 A1INK B H12  
3918 H H15  . A1INK D .   ? 0.733388 0.518201 0.587635 0.0835422   -0.0557582  0.0965793   201 A1INK B H15  
3919 H H4   . A1INK D .   ? 0.565279 0.427445 0.386542 0.0447857   0.00982664  0.0955599   201 A1INK B H4   
3920 H H2   . A1INK D .   ? 0.633152 0.490176 0.34857  0.0774659   0.0108576   0.0996365   201 A1INK B H2   
3921 H H3   . A1INK D .   ? 0.586111 0.451507 0.352218 0.0666384   -0.00090725 0.0866484   201 A1INK B H3   
3922 H H1   . A1INK D .   ? 0.602707 0.467461 0.362807 0.058356    0.0255253   0.106513    201 A1INK B H1   
3923 H H19  . A1INK D .   ? 0.682799 0.522315 0.468295 0.0991373   -0.0748049  0.0715241   201 A1INK B H19  
3924 H H18  . A1INK D .   ? 0.674837 0.503265 0.472841 0.0844457   -0.0507689  0.086519    201 A1INK B H18  
3925 H H21  . A1INK D .   ? 0.56342  0.442065 0.412565 0.0770088   -0.0687459  0.0421121   201 A1INK B H21  
3926 H H20  . A1INK D .   ? 0.580384 0.448376 0.397643 0.0737119   -0.0487169  0.0580506   201 A1INK B H20  
3927 H H22  . A1INK D .   ? 0.451151 0.35597  0.379694 0.0306144   -0.0209854  0.0366146   201 A1INK B H22  
3928 H H24  . A1INK D .   ? 0.465992 0.379641 0.431208 0.0372644   -0.0407083  0.0166601   201 A1INK B H24  
3929 H H23  . A1INK D .   ? 0.466671 0.368414 0.436951 0.0283197   -0.0278143  0.0255079   201 A1INK B H23  
3930 H H25  . A1INK D .   ? 0.49528  0.384745 0.475291 0.0499358   -0.0504793  0.0219323   201 A1INK B H25  
3931 H H26  . A1INK D .   ? 0.521638 0.403598 0.465661 0.0589537   -0.0572405  0.0331128   201 A1INK B H26  
3932 H H27  . A1INK D .   ? 0.514192 0.369101 0.475482 0.0369491   -0.0309086  0.0461438   201 A1INK B H27  
3933 H H28  . A1INK D .   ? 0.549282 0.387747 0.491327 0.0564921   -0.0464806  0.0538306   201 A1INK B H28  
3934 H H29  . A1INK D .   ? 0.547379 0.380065 0.458103 0.0381126   -0.0196314  0.0765802   201 A1INK B H29  
3935 H H30  . A1INK D .   ? 0.556238 0.395709 0.44711  0.0555353   -0.0365124  0.0714666   201 A1INK B H30  
3936 H H31  . A1INK D .   ? 0.524984 0.362329 0.42269  0.0232604   0.00383028  0.0918891   201 A1INK B H31  
3937 H H32  . A1INK D .   ? 0.508681 0.389391 0.392541 0.0144191   0.0306332   0.0948405   201 A1INK B H32  
3938 H H33  . A1INK D .   ? 0.592029 0.419507 0.484826 -0.000713   0.0392834   0.122495    201 A1INK B H33  
3939 H H34  . A1INK D .   ? 0.609531 0.445081 0.462806 0.0128711   0.0432679   0.129619    201 A1INK B H34  
3940 H H36  . A1INK D .   ? 0.580766 0.46784  0.471422 -0.00708724 0.0674946   0.122573    201 A1INK B H36  
3941 H H35  . A1INK D .   ? 0.61391  0.471367 0.512266 -0.020109   0.0738727   0.138717    201 A1INK B H35  
3942 H H38  . A1INK D .   ? 0.525552 0.436704 0.483373 -0.0346932  0.0707879   0.109185    201 A1INK B H38  
3943 H H37  . A1INK D .   ? 0.542591 0.41641  0.500159 -0.034732   0.0583033   0.109525    201 A1INK B H37  
3944 H H40  . A1INK D .   ? 0.472119 0.394283 0.418305 -0.0136349  0.047152    0.0837193   201 A1INK B H40  
3945 H H39  . A1INK D .   ? 0.466764 0.378233 0.441999 -0.0263761  0.041856    0.0779428   201 A1INK B H39  
3946 H H41  . A1INK D .   ? 0.486482 0.355084 0.431713 -0.00696645 0.024554    0.0831105   201 A1INK B H41  
3947 H H42  . A1INK D .   ? 0.457143 0.352757 0.396721 0.00010863  0.0214562   0.071143    201 A1INK B H42  
# 
