data_9GPZ
# 
_entry.id   9GPZ 
# 
_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   9GPZ         pdb_00009gpz 10.2210/pdb9gpz/pdb 
WWPDB D_1292141196 ?            ?                   
# 
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                        9GPZ 
_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 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    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 
;3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone
;
582.731   2  ?       ?                    ? ? 
3 water       nat water 18.015    71 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_strand_id                 B,A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone
;
A1INY 
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 
A1INY non-polymer         . 
;3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone
;
? 'C32 H46 N4 O6'  582.731 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   13  13  GLY GLY B . n 
A 1 2   ALA 2   14  14  ALA ALA B . n 
A 1 3   PRO 3   15  15  PRO PRO B . n 
A 1 4   ALA 4   16  16  ALA ALA B . n 
A 1 5   THR 5   17  17  THR THR B . n 
A 1 6   VAL 6   18  18  VAL VAL B . n 
A 1 7   THR 7   19  19  THR THR B . n 
A 1 8   GLU 8   20  20  GLU GLU B . n 
A 1 9   GLN 9   21  21  GLN GLN B . n 
A 1 10  GLY 10  22  22  GLY GLY B . n 
A 1 11  GLU 11  23  23  GLU GLU B . n 
A 1 12  ASP 12  24  24  ASP ASP B . n 
A 1 13  ILE 13  25  25  ILE ILE B . n 
A 1 14  THR 14  26  26  THR THR B . n 
A 1 15  SER 15  27  27  SER SER B . n 
A 1 16  LYS 16  28  28  LYS LYS B . n 
A 1 17  LYS 17  29  29  LYS LYS B . n 
A 1 18  ASP 18  30  30  ASP ASP B . n 
A 1 19  ARG 19  31  31  ARG ARG B . n 
A 1 20  GLY 20  32  32  GLY GLY B . n 
A 1 21  VAL 21  33  33  VAL VAL B . n 
A 1 22  LEU 22  34  34  LEU LEU B . n 
A 1 23  LYS 23  35  35  LYS LYS B . n 
A 1 24  ILE 24  36  36  ILE ILE B . n 
A 1 25  VAL 25  37  37  VAL VAL B . n 
A 1 26  LYS 26  38  38  LYS LYS B . n 
A 1 27  ARG 27  39  39  ARG ARG B . n 
A 1 28  VAL 28  40  40  VAL VAL B . n 
A 1 29  GLY 29  41  41  GLY GLY B . n 
A 1 30  ASN 30  42  42  ASN ASN B . n 
A 1 31  GLY 31  43  43  GLY GLY B . n 
A 1 32  GLU 32  44  44  GLU GLU B . n 
A 1 33  GLU 33  45  45  GLU GLU B . n 
A 1 34  THR 34  46  46  THR THR B . n 
A 1 35  PRO 35  47  47  PRO PRO B . n 
A 1 36  MET 36  48  48  MET MET B . n 
A 1 37  ILE 37  49  49  ILE ILE B . n 
A 1 38  GLY 38  50  50  GLY GLY B . n 
A 1 39  ASP 39  51  51  ASP ASP B . n 
A 1 40  LYS 40  52  52  LYS LYS B . n 
A 1 41  VAL 41  53  53  VAL VAL B . n 
A 1 42  TYR 42  54  54  TYR TYR B . n 
A 1 43  VAL 43  55  55  VAL VAL B . n 
A 1 44  HIS 44  56  56  HIS HIS B . n 
A 1 45  TYR 45  57  57  TYR TYR B . n 
A 1 46  LYS 46  58  58  LYS LYS B . n 
A 1 47  GLY 47  59  59  GLY GLY B . n 
A 1 48  LYS 48  60  60  LYS LYS B . n 
A 1 49  LEU 49  61  61  LEU LEU B . n 
A 1 50  SER 50  62  62  SER SER B . n 
A 1 51  ASN 51  63  63  ASN ASN B . n 
A 1 52  GLY 52  64  64  GLY GLY B . n 
A 1 53  LYS 53  65  ?   ?   ?   B . n 
A 1 54  LYS 54  66  ?   ?   ?   B . n 
A 1 55  PHE 55  67  67  PHE PHE B . n 
A 1 56  ASP 56  68  68  ASP ASP B . n 
A 1 57  SER 57  69  69  SER SER B . n 
A 1 58  SER 58  70  70  SER SER B . n 
A 1 59  HIS 59  71  71  HIS HIS B . n 
A 1 60  ASP 60  72  72  ASP ASP B . n 
A 1 61  ARG 61  73  73  ARG ARG B . n 
A 1 62  ASN 62  74  74  ASN ASN B . n 
A 1 63  GLU 63  75  75  GLU GLU B . n 
A 1 64  PRO 64  76  76  PRO PRO B . n 
A 1 65  PHE 65  77  77  PHE PHE B . n 
A 1 66  VAL 66  78  78  VAL VAL B . n 
A 1 67  PHE 67  79  79  PHE PHE B . n 
A 1 68  SER 68  80  80  SER SER B . n 
A 1 69  LEU 69  81  81  LEU LEU B . n 
A 1 70  GLY 70  82  82  GLY GLY B . n 
A 1 71  LYS 71  83  83  LYS LYS B . n 
A 1 72  GLY 72  84  84  GLY GLY B . n 
A 1 73  GLN 73  85  85  GLN GLN B . n 
A 1 74  VAL 74  86  86  VAL VAL B . n 
A 1 75  ILE 75  87  87  ILE ILE B . n 
A 1 76  LYS 76  88  88  LYS LYS B . n 
A 1 77  ALA 77  89  89  ALA ALA B . n 
A 1 78  TRP 78  90  90  TRP TRP B . n 
A 1 79  ASP 79  91  91  ASP ASP B . n 
A 1 80  ILE 80  92  92  ILE ILE B . n 
A 1 81  GLY 81  93  93  GLY GLY B . n 
A 1 82  VAL 82  94  94  VAL VAL B . n 
A 1 83  ALA 83  95  95  ALA ALA B . n 
A 1 84  THR 84  96  96  THR THR B . n 
A 1 85  MET 85  97  97  MET MET B . n 
A 1 86  LYS 86  98  98  LYS LYS B . n 
A 1 87  LYS 87  99  99  LYS LYS B . n 
A 1 88  GLY 88  100 100 GLY GLY B . n 
A 1 89  GLU 89  101 101 GLU GLU B . n 
A 1 90  ILE 90  102 102 ILE ILE B . n 
A 1 91  ALA 91  103 103 ALA ALA B . n 
A 1 92  HIS 92  104 104 HIS HIS B . n 
A 1 93  LEU 93  105 105 LEU LEU B . n 
A 1 94  LEU 94  106 106 LEU LEU B . n 
A 1 95  ILE 95  107 107 ILE ILE B . n 
A 1 96  LYS 96  108 108 LYS LYS B . n 
A 1 97  PRO 97  109 109 PRO PRO B . n 
A 1 98  GLU 98  110 110 GLU GLU B . n 
A 1 99  TYR 99  111 111 TYR TYR B . n 
A 1 100 ALA 100 112 112 ALA ALA B . n 
A 1 101 TYR 101 113 113 TYR TYR B . n 
A 1 102 GLY 102 114 114 GLY GLY B . n 
A 1 103 SER 103 115 115 SER SER B . n 
A 1 104 ALA 104 116 116 ALA ALA B . n 
A 1 105 GLY 105 117 117 GLY GLY B . n 
A 1 106 SER 106 118 118 SER SER B . n 
A 1 107 LEU 107 119 119 LEU LEU B . n 
A 1 108 PRO 108 120 120 PRO PRO B . n 
A 1 109 LYS 109 121 121 LYS LYS B . n 
A 1 110 ILE 110 122 122 ILE ILE B . n 
A 1 111 PRO 111 123 123 PRO PRO B . n 
A 1 112 SER 112 124 124 SER SER B . n 
A 1 113 ASN 113 125 125 ASN ASN B . n 
A 1 114 ALA 114 126 126 ALA ALA B . n 
A 1 115 THR 115 127 127 THR THR B . n 
A 1 116 LEU 116 128 128 LEU LEU B . n 
A 1 117 PHE 117 129 129 PHE PHE B . n 
A 1 118 PHE 118 130 130 PHE PHE B . n 
A 1 119 GLU 119 131 131 GLU GLU B . n 
A 1 120 ILE 120 132 132 ILE ILE B . n 
A 1 121 GLU 121 133 133 GLU GLU B . n 
A 1 122 LEU 122 134 134 LEU LEU B . n 
A 1 123 LEU 123 135 135 LEU LEU B . n 
A 1 124 ASP 124 136 136 ASP ASP B . n 
A 1 125 PHE 125 137 137 PHE PHE B . n 
A 1 126 LYS 126 138 138 LYS LYS B . n 
A 1 127 GLY 127 139 139 GLY GLY B . n 
A 1 128 GLU 128 140 140 GLU GLU B . n 
B 1 1   GLY 1   13  13  GLY GLY A . n 
B 1 2   ALA 2   14  14  ALA ALA A . n 
B 1 3   PRO 3   15  15  PRO PRO A . n 
B 1 4   ALA 4   16  16  ALA ALA A . n 
B 1 5   THR 5   17  17  THR THR A . n 
B 1 6   VAL 6   18  18  VAL VAL A . n 
B 1 7   THR 7   19  19  THR THR A . n 
B 1 8   GLU 8   20  20  GLU GLU A . n 
B 1 9   GLN 9   21  21  GLN GLN A . n 
B 1 10  GLY 10  22  22  GLY GLY A . n 
B 1 11  GLU 11  23  23  GLU GLU A . n 
B 1 12  ASP 12  24  24  ASP ASP A . n 
B 1 13  ILE 13  25  25  ILE ILE A . n 
B 1 14  THR 14  26  26  THR THR A . n 
B 1 15  SER 15  27  27  SER SER A . n 
B 1 16  LYS 16  28  28  LYS LYS A . n 
B 1 17  LYS 17  29  29  LYS LYS A . n 
B 1 18  ASP 18  30  30  ASP ASP A . n 
B 1 19  ARG 19  31  31  ARG ARG A . n 
B 1 20  GLY 20  32  32  GLY GLY A . n 
B 1 21  VAL 21  33  33  VAL VAL A . n 
B 1 22  LEU 22  34  34  LEU LEU A . n 
B 1 23  LYS 23  35  35  LYS LYS A . n 
B 1 24  ILE 24  36  36  ILE ILE A . n 
B 1 25  VAL 25  37  37  VAL VAL A . n 
B 1 26  LYS 26  38  38  LYS LYS A . n 
B 1 27  ARG 27  39  39  ARG ARG A . n 
B 1 28  VAL 28  40  40  VAL VAL A . n 
B 1 29  GLY 29  41  41  GLY GLY A . n 
B 1 30  ASN 30  42  42  ASN ASN A . n 
B 1 31  GLY 31  43  43  GLY GLY A . n 
B 1 32  GLU 32  44  44  GLU GLU A . n 
B 1 33  GLU 33  45  45  GLU GLU A . n 
B 1 34  THR 34  46  46  THR THR A . n 
B 1 35  PRO 35  47  47  PRO PRO A . n 
B 1 36  MET 36  48  48  MET MET A . n 
B 1 37  ILE 37  49  49  ILE ILE A . n 
B 1 38  GLY 38  50  50  GLY GLY A . n 
B 1 39  ASP 39  51  51  ASP ASP A . n 
B 1 40  LYS 40  52  52  LYS LYS A . n 
B 1 41  VAL 41  53  53  VAL VAL A . n 
B 1 42  TYR 42  54  54  TYR TYR A . n 
B 1 43  VAL 43  55  55  VAL VAL A . n 
B 1 44  HIS 44  56  56  HIS HIS A . n 
B 1 45  TYR 45  57  57  TYR TYR A . n 
B 1 46  LYS 46  58  58  LYS LYS A . n 
B 1 47  GLY 47  59  59  GLY GLY A . n 
B 1 48  LYS 48  60  60  LYS LYS A . n 
B 1 49  LEU 49  61  61  LEU LEU A . n 
B 1 50  SER 50  62  62  SER SER A . n 
B 1 51  ASN 51  63  63  ASN ASN A . n 
B 1 52  GLY 52  64  64  GLY GLY A . n 
B 1 53  LYS 53  65  65  LYS LYS A . n 
B 1 54  LYS 54  66  66  LYS LYS A . n 
B 1 55  PHE 55  67  67  PHE PHE A . n 
B 1 56  ASP 56  68  68  ASP ASP A . n 
B 1 57  SER 57  69  69  SER SER A . n 
B 1 58  SER 58  70  70  SER SER A . n 
B 1 59  HIS 59  71  71  HIS HIS A . n 
B 1 60  ASP 60  72  72  ASP ASP A . n 
B 1 61  ARG 61  73  73  ARG ARG A . n 
B 1 62  ASN 62  74  74  ASN ASN A . n 
B 1 63  GLU 63  75  75  GLU GLU A . n 
B 1 64  PRO 64  76  76  PRO PRO A . n 
B 1 65  PHE 65  77  77  PHE PHE A . n 
B 1 66  VAL 66  78  78  VAL VAL A . n 
B 1 67  PHE 67  79  79  PHE PHE A . n 
B 1 68  SER 68  80  80  SER SER A . n 
B 1 69  LEU 69  81  81  LEU LEU A . n 
B 1 70  GLY 70  82  82  GLY GLY A . n 
B 1 71  LYS 71  83  83  LYS LYS A . n 
B 1 72  GLY 72  84  84  GLY GLY A . n 
B 1 73  GLN 73  85  85  GLN GLN A . n 
B 1 74  VAL 74  86  86  VAL VAL A . n 
B 1 75  ILE 75  87  87  ILE ILE A . n 
B 1 76  LYS 76  88  88  LYS LYS A . n 
B 1 77  ALA 77  89  89  ALA ALA A . n 
B 1 78  TRP 78  90  90  TRP TRP A . n 
B 1 79  ASP 79  91  91  ASP ASP A . n 
B 1 80  ILE 80  92  92  ILE ILE A . n 
B 1 81  GLY 81  93  93  GLY GLY A . n 
B 1 82  VAL 82  94  94  VAL VAL A . n 
B 1 83  ALA 83  95  95  ALA ALA A . n 
B 1 84  THR 84  96  96  THR THR A . n 
B 1 85  MET 85  97  97  MET MET A . n 
B 1 86  LYS 86  98  98  LYS LYS A . n 
B 1 87  LYS 87  99  99  LYS LYS A . n 
B 1 88  GLY 88  100 100 GLY GLY A . n 
B 1 89  GLU 89  101 101 GLU GLU A . n 
B 1 90  ILE 90  102 102 ILE ILE A . n 
B 1 91  ALA 91  103 103 ALA ALA A . n 
B 1 92  HIS 92  104 104 HIS HIS A . n 
B 1 93  LEU 93  105 105 LEU LEU A . n 
B 1 94  LEU 94  106 106 LEU LEU A . n 
B 1 95  ILE 95  107 107 ILE ILE A . n 
B 1 96  LYS 96  108 108 LYS LYS A . n 
B 1 97  PRO 97  109 109 PRO PRO A . n 
B 1 98  GLU 98  110 110 GLU GLU A . n 
B 1 99  TYR 99  111 111 TYR TYR A . n 
B 1 100 ALA 100 112 112 ALA ALA A . n 
B 1 101 TYR 101 113 113 TYR TYR A . n 
B 1 102 GLY 102 114 114 GLY GLY A . n 
B 1 103 SER 103 115 115 SER SER A . n 
B 1 104 ALA 104 116 116 ALA ALA A . n 
B 1 105 GLY 105 117 117 GLY GLY A . n 
B 1 106 SER 106 118 118 SER SER A . n 
B 1 107 LEU 107 119 119 LEU LEU A . n 
B 1 108 PRO 108 120 120 PRO PRO A . n 
B 1 109 LYS 109 121 121 LYS LYS A . n 
B 1 110 ILE 110 122 122 ILE ILE A . n 
B 1 111 PRO 111 123 123 PRO PRO A . n 
B 1 112 SER 112 124 124 SER SER A . n 
B 1 113 ASN 113 125 125 ASN ASN A . n 
B 1 114 ALA 114 126 126 ALA ALA A . n 
B 1 115 THR 115 127 127 THR THR A . n 
B 1 116 LEU 116 128 128 LEU LEU A . n 
B 1 117 PHE 117 129 129 PHE PHE A . n 
B 1 118 PHE 118 130 130 PHE PHE A . n 
B 1 119 GLU 119 131 131 GLU GLU A . n 
B 1 120 ILE 120 132 132 ILE ILE A . n 
B 1 121 GLU 121 133 133 GLU GLU A . n 
B 1 122 LEU 122 134 134 LEU LEU A . n 
B 1 123 LEU 123 135 135 LEU LEU A . n 
B 1 124 ASP 124 136 136 ASP ASP A . n 
B 1 125 PHE 125 137 137 PHE PHE A . n 
B 1 126 LYS 126 138 138 LYS LYS A . n 
B 1 127 GLY 127 139 139 GLY GLY A . n 
B 1 128 GLU 128 140 140 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1INY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INY 
_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 A1INY 1  201 201 A1INY DRG B . 
D 2 A1INY 1  201 201 A1INY DRG A . 
E 3 HOH   1  301 6   HOH   HOH B . 
E 3 HOH   2  302 15  HOH   HOH B . 
E 3 HOH   3  303 40  HOH   HOH B . 
E 3 HOH   4  304 1   HOH   HOH B . 
E 3 HOH   5  305 58  HOH   HOH B . 
E 3 HOH   6  306 19  HOH   HOH B . 
E 3 HOH   7  307 36  HOH   HOH B . 
E 3 HOH   8  308 65  HOH   HOH B . 
E 3 HOH   9  309 3   HOH   HOH B . 
E 3 HOH   10 310 2   HOH   HOH B . 
E 3 HOH   11 311 17  HOH   HOH B . 
E 3 HOH   12 312 52  HOH   HOH B . 
E 3 HOH   13 313 18  HOH   HOH B . 
E 3 HOH   14 314 63  HOH   HOH B . 
E 3 HOH   15 315 26  HOH   HOH B . 
E 3 HOH   16 316 32  HOH   HOH B . 
E 3 HOH   17 317 8   HOH   HOH B . 
E 3 HOH   18 318 4   HOH   HOH B . 
E 3 HOH   19 319 33  HOH   HOH B . 
E 3 HOH   20 320 56  HOH   HOH B . 
E 3 HOH   21 321 70  HOH   HOH B . 
E 3 HOH   22 322 47  HOH   HOH B . 
E 3 HOH   23 323 30  HOH   HOH B . 
E 3 HOH   24 324 62  HOH   HOH B . 
E 3 HOH   25 325 41  HOH   HOH B . 
E 3 HOH   26 326 44  HOH   HOH B . 
E 3 HOH   27 327 48  HOH   HOH B . 
E 3 HOH   28 328 31  HOH   HOH B . 
E 3 HOH   29 329 55  HOH   HOH B . 
E 3 HOH   30 330 7   HOH   HOH B . 
E 3 HOH   31 331 38  HOH   HOH B . 
E 3 HOH   32 332 61  HOH   HOH B . 
E 3 HOH   33 333 59  HOH   HOH B . 
E 3 HOH   34 334 67  HOH   HOH B . 
E 3 HOH   35 335 54  HOH   HOH B . 
F 3 HOH   1  301 35  HOH   HOH A . 
F 3 HOH   2  302 29  HOH   HOH A . 
F 3 HOH   3  303 16  HOH   HOH A . 
F 3 HOH   4  304 68  HOH   HOH A . 
F 3 HOH   5  305 23  HOH   HOH A . 
F 3 HOH   6  306 50  HOH   HOH A . 
F 3 HOH   7  307 53  HOH   HOH A . 
F 3 HOH   8  308 37  HOH   HOH A . 
F 3 HOH   9  309 25  HOH   HOH A . 
F 3 HOH   10 310 12  HOH   HOH A . 
F 3 HOH   11 311 9   HOH   HOH A . 
F 3 HOH   12 312 5   HOH   HOH A . 
F 3 HOH   13 313 14  HOH   HOH A . 
F 3 HOH   14 314 42  HOH   HOH A . 
F 3 HOH   15 315 24  HOH   HOH A . 
F 3 HOH   16 316 21  HOH   HOH A . 
F 3 HOH   17 317 46  HOH   HOH A . 
F 3 HOH   18 318 13  HOH   HOH A . 
F 3 HOH   19 319 43  HOH   HOH A . 
F 3 HOH   20 320 34  HOH   HOH A . 
F 3 HOH   21 321 45  HOH   HOH A . 
F 3 HOH   22 322 60  HOH   HOH A . 
F 3 HOH   23 323 10  HOH   HOH A . 
F 3 HOH   24 324 27  HOH   HOH A . 
F 3 HOH   25 325 28  HOH   HOH A . 
F 3 HOH   26 326 11  HOH   HOH A . 
F 3 HOH   27 327 71  HOH   HOH A . 
F 3 HOH   28 328 51  HOH   HOH A . 
F 3 HOH   29 329 20  HOH   HOH A . 
F 3 HOH   30 330 49  HOH   HOH A . 
F 3 HOH   31 331 64  HOH   HOH A . 
F 3 HOH   32 332 57  HOH   HOH A . 
F 3 HOH   33 333 66  HOH   HOH A . 
F 3 HOH   34 334 69  HOH   HOH A . 
F 3 HOH   35 335 39  HOH   HOH A . 
F 3 HOH   36 336 22  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 B GLU 20  ? CG  ? A GLU 8   CG  
2  1 Y 1 B GLU 20  ? CD  ? A GLU 8   CD  
3  1 Y 1 B GLU 20  ? OE1 ? A GLU 8   OE1 
4  1 Y 1 B GLU 20  ? OE2 ? A GLU 8   OE2 
5  1 Y 1 B ASN 42  ? CG  ? A ASN 30  CG  
6  1 Y 1 B ASN 42  ? OD1 ? A ASN 30  OD1 
7  1 Y 1 B ASN 42  ? ND2 ? A ASN 30  ND2 
8  1 Y 1 B GLU 44  ? CG  ? A GLU 32  CG  
9  1 Y 1 B GLU 44  ? CD  ? A GLU 32  CD  
10 1 Y 1 B GLU 44  ? OE1 ? A GLU 32  OE1 
11 1 Y 1 B GLU 44  ? OE2 ? A GLU 32  OE2 
12 1 Y 1 B GLU 45  ? CG  ? A GLU 33  CG  
13 1 Y 1 B GLU 45  ? CD  ? A GLU 33  CD  
14 1 Y 1 B GLU 45  ? OE1 ? A GLU 33  OE1 
15 1 Y 1 B GLU 45  ? OE2 ? A GLU 33  OE2 
16 1 Y 1 B LYS 58  ? CG  ? A LYS 46  CG  
17 1 Y 1 B LYS 58  ? CD  ? A LYS 46  CD  
18 1 Y 1 B LYS 58  ? CE  ? A LYS 46  CE  
19 1 Y 1 B LYS 58  ? NZ  ? A LYS 46  NZ  
20 1 Y 1 B ASN 74  ? CG  ? A ASN 62  CG  
21 1 Y 1 B ASN 74  ? OD1 ? A ASN 62  OD1 
22 1 Y 1 B ASN 74  ? ND2 ? A ASN 62  ND2 
23 1 Y 1 B LYS 83  ? CG  ? A LYS 71  CG  
24 1 Y 1 B LYS 83  ? CD  ? A LYS 71  CD  
25 1 Y 1 B LYS 83  ? CE  ? A LYS 71  CE  
26 1 Y 1 B LYS 83  ? NZ  ? A LYS 71  NZ  
27 1 Y 1 B LYS 88  ? CG  ? A LYS 76  CG  
28 1 Y 1 B LYS 88  ? CD  ? A LYS 76  CD  
29 1 Y 1 B LYS 88  ? CE  ? A LYS 76  CE  
30 1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
31 1 Y 1 B LYS 98  ? CG  ? A LYS 86  CG  
32 1 Y 1 B LYS 98  ? CD  ? A LYS 86  CD  
33 1 Y 1 B LYS 98  ? CE  ? A LYS 86  CE  
34 1 Y 1 B LYS 98  ? NZ  ? A LYS 86  NZ  
35 1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
36 1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
37 1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
38 1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
39 1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
40 1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
41 1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
42 1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
43 1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
44 1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
45 1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
46 1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
47 1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
48 1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
49 1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
50 1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
51 1 Y 1 A GLU 23  ? CG  ? B GLU 11  CG  
52 1 Y 1 A GLU 23  ? CD  ? B GLU 11  CD  
53 1 Y 1 A GLU 23  ? OE1 ? B GLU 11  OE1 
54 1 Y 1 A GLU 23  ? OE2 ? B GLU 11  OE2 
55 1 Y 1 A GLU 44  ? CG  ? B GLU 32  CG  
56 1 Y 1 A GLU 44  ? CD  ? B GLU 32  CD  
57 1 Y 1 A GLU 44  ? OE1 ? B GLU 32  OE1 
58 1 Y 1 A GLU 44  ? OE2 ? B GLU 32  OE2 
59 1 Y 1 A GLU 45  ? CG  ? B GLU 33  CG  
60 1 Y 1 A GLU 45  ? CD  ? B GLU 33  CD  
61 1 Y 1 A GLU 45  ? OE1 ? B GLU 33  OE1 
62 1 Y 1 A GLU 45  ? OE2 ? B GLU 33  OE2 
63 1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
64 1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
65 1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
66 1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
67 1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
68 1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
69 1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
70 1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
71 1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
72 1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
73 1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
74 1 Y 1 A LYS 83  ? CG  ? B LYS 71  CG  
75 1 Y 1 A LYS 83  ? CD  ? B LYS 71  CD  
76 1 Y 1 A LYS 83  ? CE  ? B LYS 71  CE  
77 1 Y 1 A LYS 83  ? NZ  ? B LYS 71  NZ  
78 1 Y 1 A LYS 88  ? CG  ? B LYS 76  CG  
79 1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
80 1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
81 1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
82 1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
83 1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
84 1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
85 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
86 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
87 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
88 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
89 1 Y 1 A GLU 140 ? OE2 ? B GLU 128 OE2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0425 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                     9GPZ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.028 
_cell.length_a_esd                 ? 
_cell.length_b                     49.028 
_cell.length_b_esd                 ? 
_cell.length_c                     195.666 
_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                         9GPZ 
_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                   9GPZ 
_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             2.42 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.25 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '20% PEG3350, 0.2M ammonium 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         2024-06-26 
_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                                       9GPZ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.80 
_reflns.d_resolution_low                               48.92 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     26431 
_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                                14.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.1 
_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                                0.058 
_reflns.pdbx_Rpim_I_all                                0.021 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.054 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
9.00 48.92 ? 61.6 ? ? ? ? 283  ? ? ? ? ? ? ? ? ? ? ? 10.9 0.96 ? ? 0.035 0.012 ? 1 ? 0.999 ? ? 99.2 ? 0.032 ? ? ? ? ? ? ? ? ? 
1.80 1.84  ? 2.5  ? ? ? ? 1523 ? ? ? ? ? ? ? ? ? ? ? 15.7 1.05 ? ? 1.265 0.438 ? 2 ? 0.784 ? ? 99.9 ? 1.186 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.282 
_refine.aniso_B[1][2]                            -0.141 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.282 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.913 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               41.035 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.948 
_refine.correlation_coeff_Fo_to_Fc_free          0.928 
_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                                 9GPZ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.800 
_refine.ls_d_res_low                             41.528 
_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                     26359 
_refine.ls_number_reflns_R_free                  1327 
_refine.ls_number_reflns_R_work                  25032 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.958 
_refine.ls_percent_reflns_R_free                 5.034 
_refine.ls_R_factor_all                          0.232 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2760 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2299 
_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                       0.145 
_refine.pdbx_overall_ESU_R_Free                  0.144 
_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                             7.248 
_refine.overall_SU_ML                            0.111 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.800 
_refine_hist.d_res_low                        41.528 
_refine_hist.number_atoms_solvent             71 
_refine_hist.number_atoms_total               2022 
_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        1867 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         84 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.014  0.012  1998 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1870 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.217  1.827  2707 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.748  1.746  4345 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.434  5.000  251  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 29.306 13.333 18   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.802 10.000 303  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.308 10.000 67   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.119  0.200  300  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.013  0.020  2265 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  407  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.208  0.200  341  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1664 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  1001 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.092  0.200  1032 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.107  0.200  79   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.241  0.200  5    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.183  0.200  23   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.061  0.200  2    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.952  2.380  1013 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.951  2.381  1013 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.594  4.262  1261 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.593  4.264  1262 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.387  2.515  985  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.386  2.514  986  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.423  4.532  1446 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.422  4.530  1447 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.810  22.286 2135 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.804  22.250 2131 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.120  0.050  3493 ? 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 ? ? 0.12017 ? 0.05007 1 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.12017 ? 0.05007 2 'Local ncs' ? B ? ? ? 1 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.800 1.847  1906 . 116 1789 99.9475  . 0.259 . . 0.255 . . . . . 0.242 . 20 . 0.953 0.918 0.324 
'X-RAY DIFFRACTION' 1.847 1.897  1858 . 76  1782 100.0000 . 0.247 . . 0.244 . . . . . 0.229 . 20 . 0.960 0.932 0.316 
'X-RAY DIFFRACTION' 1.897 1.952  1803 . 120 1682 99.9445  . 0.240 . . 0.235 . . . . . 0.215 . 20 . 0.964 0.939 0.303 
'X-RAY DIFFRACTION' 1.952 2.012  1760 . 80  1680 100.0000 . 0.228 . . 0.228 . . . . . 0.208 . 20 . 0.964 0.962 0.245 
'X-RAY DIFFRACTION' 2.012 2.078  1699 . 88  1611 100.0000 . 0.226 . . 0.222 . . . . . 0.200 . 20 . 0.970 0.934 0.303 
'X-RAY DIFFRACTION' 2.078 2.151  1656 . 81  1575 100.0000 . 0.220 . . 0.218 . . . . . 0.195 . 20 . 0.969 0.961 0.258 
'X-RAY DIFFRACTION' 2.151 2.232  1620 . 73  1547 100.0000 . 0.220 . . 0.218 . . . . . 0.193 . 20 . 0.969 0.958 0.281 
'X-RAY DIFFRACTION' 2.232 2.322  1531 . 86  1445 100.0000 . 0.236 . . 0.231 . . . . . 0.209 . 20 . 0.966 0.930 0.322 
'X-RAY DIFFRACTION' 2.322 2.425  1487 . 71  1416 100.0000 . 0.244 . . 0.241 . . . . . 0.216 . 20 . 0.965 0.944 0.295 
'X-RAY DIFFRACTION' 2.425 2.543  1425 . 76  1349 100.0000 . 0.227 . . 0.224 . . . . . 0.203 . 20 . 0.971 0.937 0.300 
'X-RAY DIFFRACTION' 2.543 2.680  1341 . 86  1255 100.0000 . 0.248 . . 0.244 . . . . . 0.224 . 20 . 0.964 0.945 0.307 
'X-RAY DIFFRACTION' 2.680 2.842  1317 . 58  1259 100.0000 . 0.258 . . 0.254 . . . . . 0.240 . 20 . 0.959 0.932 0.333 
'X-RAY DIFFRACTION' 2.842 3.037  1215 . 55  1160 100.0000 . 0.247 . . 0.245 . . . . . 0.239 . 20 . 0.958 0.945 0.311 
'X-RAY DIFFRACTION' 3.037 3.279  1145 . 50  1095 100.0000 . 0.248 . . 0.247 . . . . . 0.247 . 20 . 0.960 0.950 0.264 
'X-RAY DIFFRACTION' 3.279 3.590  1036 . 54  981  99.9035  . 0.249 . . 0.246 . . . . . 0.255 . 20 . 0.965 0.954 0.294 
'X-RAY DIFFRACTION' 3.590 4.010  975  . 50  924  99.8974  . 0.215 . . 0.214 . . . . . 0.226 . 20 . 0.975 0.972 0.236 
'X-RAY DIFFRACTION' 4.010 4.623  852  . 33  819  100.0000 . 0.188 . . 0.186 . . . . . 0.210 . 20 . 0.980 0.966 0.250 
'X-RAY DIFFRACTION' 4.623 5.645  762  . 38  723  99.8688  . 0.205 . . 0.205 . . . . . 0.234 . 20 . 0.975 0.979 0.197 
'X-RAY DIFFRACTION' 5.645 7.910  596  . 15  581  100.0000 . 0.253 . . 0.253 . . . . . 0.282 . 20 . 0.965 0.970 0.254 
'X-RAY DIFFRACTION' 7.910 41.528 384  . 21  359  98.9583  . 0.271 . . 0.268 . . . . . 0.355 . 20 . 0.933 0.933 0.324 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 B 
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 . B GLY 13 B GLU 140 ? ? 
1 2 1 A GLY 1 . A 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                     9GPZ 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/o' 
_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        9GPZ 
_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 9GPZ B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPZ A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GPZ GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPZ ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPZ PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPZ THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPZ ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPZ ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPZ GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPZ ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPZ PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPZ THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPZ ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPZ ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 12 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E 
2 1 B,D,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 1  ? GLY A 10  ? GLY B 13  GLY B 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ASN A 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P3 AA3 ILE A 75 ? ALA A 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO B 109 ALA B 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA A 14  GLY A 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS A 71  ASN A 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P8 AA8 PRO B 97 ? ALA B 100 ? PRO A 109 ALA A 112 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 LEU 107 A . ? LEU 119 B PRO 108 A ? PRO 120 B 1 -0.35 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 2.16  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 6 ? 
AA4 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA1 6 ASP A 56  ? SER A 57  ? ASP B 68  SER B 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE B 77  SER B 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE A 67  SER A 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE A 77  SER A 80  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA1 2 3 N LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA1 3 4 N ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA1 4 5 O ASP A 124 ? O ASP B 136 N TYR A 42  ? N TYR B 54  
AA1 5 6 N GLY A 47  ? N GLY B 59  O ASP A 56  ? O ASP B 68  
AA2 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA2 2 3 N LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA2 3 4 N ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA2 4 5 O ASP A 124 ? O ASP B 136 N TYR A 42  ? N TYR B 54  
AA2 5 6 N VAL A 41  ? N VAL B 53  O PHE A 67  ? O PHE B 79  
AA3 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA3 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA3 3 4 N ALA B 91  ? N ALA A 103 O ILE B 120 ? O ILE A 132 
AA3 4 5 O ASP B 124 ? O ASP A 136 N TYR B 42  ? N TYR A 54  
AA3 5 6 N GLY B 47  ? N GLY A 59  O ASP B 56  ? O ASP A 68  
AA4 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA4 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA4 3 4 N ALA B 91  ? N ALA A 103 O ILE B 120 ? O ILE A 132 
AA4 4 5 O ASP B 124 ? O ASP A 136 N TYR B 42  ? N TYR A 54  
AA4 5 6 N VAL B 41  ? N VAL A 53  O PHE B 67  ? O PHE A 79  
# 
_pdbx_entry_details.entry_id                   9GPZ 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CD A ARG 31 ? ? NE A ARG 31 ? ? CZ  A ARG 31 ? ? 135.30 123.60 11.70 1.40 N 
2 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH1 A ARG 31 ? ? 124.44 120.30 4.14  0.50 N 
3 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH2 A ARG 31 ? ? 117.14 120.30 -3.16 0.50 N 
4 1 NE A ARG 73 ? ? CZ A ARG 73 ? ? NH2 A ARG 73 ? ? 115.69 120.30 -4.61 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 ASN B 63  ? ? -87.16  36.19   
2 1 ALA B 112 ? ? -135.62 -108.99 
3 1 SER B 118 ? ? -154.44 77.28   
4 1 ALA A 112 ? ? -132.56 -110.31 
5 1 SER A 118 ? ? -155.53 67.27   
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined 18.6099 -0.3751 -4.5466  0.1421 ? -0.0111 ? -0.0226 ? 0.0733 ? 0.0290  ? 0.0486 ? 2.3087 ? -0.6305 
? 0.0357  ? 3.1807 ? -0.0851 ? 3.8937 ? -0.0585 ? -0.0201 ? -0.2147 ? -0.1865 ? -0.0760 ? -0.0860 ? 0.1678  ? 0.1629  ? 0.1346  ? 
2 'X-RAY DIFFRACTION' ? refined 9.7889  16.0479 -29.2693 0.1327 ? 0.0648  ? -0.0240 ? 0.0478 ? -0.0081 ? 0.0882 ? 5.5124 ? 0.6450  
? -0.5926 ? 3.1612 ? 0.1519  ? 3.2580 ? 0.2395  ? 0.0232  ? 0.3973  ? -0.0595 ? -0.1132 ? -0.2922 ? -0.0119 ? -0.2022 ? -0.1263 ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    Bp 
_pdbx_refine_tls_group.beg_auth_seq_id     13 
_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    Bp 
_pdbx_refine_tls_group.end_auth_seq_id     201 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ALL 
_pdbx_refine_tls_group.selection_details   ? 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B LYS 65 ? A LYS 53 
2 1 Y 1 B LYS 66 ? A LYS 54 
# 
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 
A1INY C4   C Y N 1   
A1INY C14  C Y N 2   
A1INY C5   C Y N 3   
A1INY C6   C Y N 4   
A1INY C11  C N N 5   
A1INY C7   C Y N 6   
A1INY C8   C N N 7   
A1INY C9   C N S 8   
A1INY C10  C N N 9   
A1INY C12  C N N 10  
A1INY C13  C Y N 11  
A1INY N1   N Y N 12  
A1INY N2   N Y N 13  
A1INY C3   C Y N 14  
A1INY N3   N Y N 15  
A1INY C1   C N N 16  
A1INY O1   O N N 17  
A1INY C2   C Y N 18  
A1INY O2   O N N 19  
A1INY O3   O N N 20  
A1INY C15  C N N 21  
A1INY C16  C N S 22  
A1INY C17  C N N 23  
A1INY C18  C N N 24  
A1INY O4   O N N 25  
A1INY C19  C N N 26  
A1INY O5   O N N 27  
A1INY C20  C N S 28  
A1INY C21  C N N 29  
A1INY C22  C N N 30  
A1INY C23  C N N 31  
A1INY C24  C N N 32  
A1INY N4   N N N 33  
A1INY C25  C N N 34  
A1INY O6   O N N 35  
A1INY C26  C N S 36  
A1INY C27  C N N 37  
A1INY C28  C N N 38  
A1INY C29  C N N 39  
A1INY C30  C N N 40  
A1INY C31  C N N 41  
A1INY C32  C N N 42  
A1INY H5   H N N 43  
A1INY H14  H N N 44  
A1INY H13  H N N 45  
A1INY H7   H N N 46  
A1INY H8   H N N 47  
A1INY H6   H N N 48  
A1INY H9   H N N 49  
A1INY H11  H N N 50  
A1INY H12  H N N 51  
A1INY H10  H N N 52  
A1INY H16  H N N 53  
A1INY H15  H N N 54  
A1INY H17  H N N 55  
A1INY H4   H N N 56  
A1INY H2   H N N 57  
A1INY H3   H N N 58  
A1INY H1   H N N 59  
A1INY H19  H N N 60  
A1INY H18  H N N 61  
A1INY H20  H N N 62  
A1INY H23  H N N 63  
A1INY H21  H N N 64  
A1INY H22  H N N 65  
A1INY H25  H N N 66  
A1INY H24  H N N 67  
A1INY H26  H N N 68  
A1INY H28  H N N 69  
A1INY H27  H N N 70  
A1INY H29  H N N 71  
A1INY H30  H N N 72  
A1INY H31  H N N 73  
A1INY H32  H N N 74  
A1INY H33  H N N 75  
A1INY H34  H N N 76  
A1INY H35  H N N 77  
A1INY H36  H N N 78  
A1INY H38  H N N 79  
A1INY H37  H N N 80  
A1INY H39  H N N 81  
A1INY H40  H N N 82  
A1INY H41  H N N 83  
A1INY H42  H N N 84  
A1INY H43  H N N 85  
A1INY H44  H N N 86  
A1INY H46  H N N 87  
A1INY H45  H N N 88  
ALA   N    N N N 89  
ALA   CA   C N S 90  
ALA   C    C N N 91  
ALA   O    O N N 92  
ALA   CB   C N N 93  
ALA   OXT  O N N 94  
ALA   H    H N N 95  
ALA   H2   H N N 96  
ALA   HA   H N N 97  
ALA   HB1  H N N 98  
ALA   HB2  H N N 99  
ALA   HB3  H N N 100 
ALA   HXT  H N N 101 
ARG   N    N N N 102 
ARG   CA   C N S 103 
ARG   C    C N N 104 
ARG   O    O N N 105 
ARG   CB   C N N 106 
ARG   CG   C N N 107 
ARG   CD   C N N 108 
ARG   NE   N N N 109 
ARG   CZ   C N N 110 
ARG   NH1  N N N 111 
ARG   NH2  N N N 112 
ARG   OXT  O N N 113 
ARG   H    H N N 114 
ARG   H2   H N N 115 
ARG   HA   H N N 116 
ARG   HB2  H N N 117 
ARG   HB3  H N N 118 
ARG   HG2  H N N 119 
ARG   HG3  H N N 120 
ARG   HD2  H N N 121 
ARG   HD3  H N N 122 
ARG   HE   H N N 123 
ARG   HH11 H N N 124 
ARG   HH12 H N N 125 
ARG   HH21 H N N 126 
ARG   HH22 H N N 127 
ARG   HXT  H N N 128 
ASN   N    N N N 129 
ASN   CA   C N S 130 
ASN   C    C N N 131 
ASN   O    O N N 132 
ASN   CB   C N N 133 
ASN   CG   C N N 134 
ASN   OD1  O N N 135 
ASN   ND2  N N N 136 
ASN   OXT  O N N 137 
ASN   H    H N N 138 
ASN   H2   H N N 139 
ASN   HA   H N N 140 
ASN   HB2  H N N 141 
ASN   HB3  H N N 142 
ASN   HD21 H N N 143 
ASN   HD22 H N N 144 
ASN   HXT  H N N 145 
ASP   N    N N N 146 
ASP   CA   C N S 147 
ASP   C    C N N 148 
ASP   O    O N N 149 
ASP   CB   C N N 150 
ASP   CG   C N N 151 
ASP   OD1  O N N 152 
ASP   OD2  O N N 153 
ASP   OXT  O N N 154 
ASP   H    H N N 155 
ASP   H2   H N N 156 
ASP   HA   H N N 157 
ASP   HB2  H N N 158 
ASP   HB3  H N N 159 
ASP   HD2  H N N 160 
ASP   HXT  H N N 161 
CYS   N    N N N 162 
CYS   CA   C N R 163 
CYS   C    C N N 164 
CYS   O    O N N 165 
CYS   CB   C N N 166 
CYS   SG   S N N 167 
CYS   OXT  O N N 168 
CYS   H    H N N 169 
CYS   H2   H N N 170 
CYS   HA   H N N 171 
CYS   HB2  H N N 172 
CYS   HB3  H N N 173 
CYS   HG   H N N 174 
CYS   HXT  H N N 175 
GLN   N    N N N 176 
GLN   CA   C N S 177 
GLN   C    C N N 178 
GLN   O    O N N 179 
GLN   CB   C N N 180 
GLN   CG   C N N 181 
GLN   CD   C N N 182 
GLN   OE1  O N N 183 
GLN   NE2  N N N 184 
GLN   OXT  O N N 185 
GLN   H    H N N 186 
GLN   H2   H N N 187 
GLN   HA   H N N 188 
GLN   HB2  H N N 189 
GLN   HB3  H N N 190 
GLN   HG2  H N N 191 
GLN   HG3  H N N 192 
GLN   HE21 H N N 193 
GLN   HE22 H N N 194 
GLN   HXT  H N N 195 
GLU   N    N N N 196 
GLU   CA   C N S 197 
GLU   C    C N N 198 
GLU   O    O N N 199 
GLU   CB   C N N 200 
GLU   CG   C N N 201 
GLU   CD   C N N 202 
GLU   OE1  O N N 203 
GLU   OE2  O N N 204 
GLU   OXT  O N N 205 
GLU   H    H N N 206 
GLU   H2   H N N 207 
GLU   HA   H N N 208 
GLU   HB2  H N N 209 
GLU   HB3  H N N 210 
GLU   HG2  H N N 211 
GLU   HG3  H N N 212 
GLU   HE2  H N N 213 
GLU   HXT  H N N 214 
GLY   N    N N N 215 
GLY   CA   C N N 216 
GLY   C    C N N 217 
GLY   O    O N N 218 
GLY   OXT  O N N 219 
GLY   H    H N N 220 
GLY   H2   H N N 221 
GLY   HA2  H N N 222 
GLY   HA3  H N N 223 
GLY   HXT  H N N 224 
HIS   N    N N N 225 
HIS   CA   C N S 226 
HIS   C    C N N 227 
HIS   O    O N N 228 
HIS   CB   C N N 229 
HIS   CG   C Y N 230 
HIS   ND1  N Y N 231 
HIS   CD2  C Y N 232 
HIS   CE1  C Y N 233 
HIS   NE2  N Y N 234 
HIS   OXT  O N N 235 
HIS   H    H N N 236 
HIS   H2   H N N 237 
HIS   HA   H N N 238 
HIS   HB2  H N N 239 
HIS   HB3  H N N 240 
HIS   HD1  H N N 241 
HIS   HD2  H N N 242 
HIS   HE1  H N N 243 
HIS   HE2  H N N 244 
HIS   HXT  H N N 245 
HOH   O    O N N 246 
HOH   H1   H N N 247 
HOH   H2   H N N 248 
ILE   N    N N N 249 
ILE   CA   C N S 250 
ILE   C    C N N 251 
ILE   O    O N N 252 
ILE   CB   C N S 253 
ILE   CG1  C N N 254 
ILE   CG2  C N N 255 
ILE   CD1  C N N 256 
ILE   OXT  O N N 257 
ILE   H    H N N 258 
ILE   H2   H N N 259 
ILE   HA   H N N 260 
ILE   HB   H N N 261 
ILE   HG12 H N N 262 
ILE   HG13 H N N 263 
ILE   HG21 H N N 264 
ILE   HG22 H N N 265 
ILE   HG23 H N N 266 
ILE   HD11 H N N 267 
ILE   HD12 H N N 268 
ILE   HD13 H N N 269 
ILE   HXT  H N N 270 
LEU   N    N N N 271 
LEU   CA   C N S 272 
LEU   C    C N N 273 
LEU   O    O N N 274 
LEU   CB   C N N 275 
LEU   CG   C N N 276 
LEU   CD1  C N N 277 
LEU   CD2  C N N 278 
LEU   OXT  O N N 279 
LEU   H    H N N 280 
LEU   H2   H N N 281 
LEU   HA   H N N 282 
LEU   HB2  H N N 283 
LEU   HB3  H N N 284 
LEU   HG   H N N 285 
LEU   HD11 H N N 286 
LEU   HD12 H N N 287 
LEU   HD13 H N N 288 
LEU   HD21 H N N 289 
LEU   HD22 H N N 290 
LEU   HD23 H N N 291 
LEU   HXT  H N N 292 
LYS   N    N N N 293 
LYS   CA   C N S 294 
LYS   C    C N N 295 
LYS   O    O N N 296 
LYS   CB   C N N 297 
LYS   CG   C N N 298 
LYS   CD   C N N 299 
LYS   CE   C N N 300 
LYS   NZ   N N N 301 
LYS   OXT  O N N 302 
LYS   H    H N N 303 
LYS   H2   H N N 304 
LYS   HA   H N N 305 
LYS   HB2  H N N 306 
LYS   HB3  H N N 307 
LYS   HG2  H N N 308 
LYS   HG3  H N N 309 
LYS   HD2  H N N 310 
LYS   HD3  H N N 311 
LYS   HE2  H N N 312 
LYS   HE3  H N N 313 
LYS   HZ1  H N N 314 
LYS   HZ2  H N N 315 
LYS   HZ3  H N N 316 
LYS   HXT  H N N 317 
MET   N    N N N 318 
MET   CA   C N S 319 
MET   C    C N N 320 
MET   O    O N N 321 
MET   CB   C N N 322 
MET   CG   C N N 323 
MET   SD   S N N 324 
MET   CE   C N N 325 
MET   OXT  O N N 326 
MET   H    H N N 327 
MET   H2   H N N 328 
MET   HA   H N N 329 
MET   HB2  H N N 330 
MET   HB3  H N N 331 
MET   HG2  H N N 332 
MET   HG3  H N N 333 
MET   HE1  H N N 334 
MET   HE2  H N N 335 
MET   HE3  H N N 336 
MET   HXT  H N N 337 
PHE   N    N N N 338 
PHE   CA   C N S 339 
PHE   C    C N N 340 
PHE   O    O N N 341 
PHE   CB   C N N 342 
PHE   CG   C Y N 343 
PHE   CD1  C Y N 344 
PHE   CD2  C Y N 345 
PHE   CE1  C Y N 346 
PHE   CE2  C Y N 347 
PHE   CZ   C Y N 348 
PHE   OXT  O N N 349 
PHE   H    H N N 350 
PHE   H2   H N N 351 
PHE   HA   H N N 352 
PHE   HB2  H N N 353 
PHE   HB3  H N N 354 
PHE   HD1  H N N 355 
PHE   HD2  H N N 356 
PHE   HE1  H N N 357 
PHE   HE2  H N N 358 
PHE   HZ   H N N 359 
PHE   HXT  H N N 360 
PRO   N    N N N 361 
PRO   CA   C N S 362 
PRO   C    C N N 363 
PRO   O    O N N 364 
PRO   CB   C N N 365 
PRO   CG   C N N 366 
PRO   CD   C N N 367 
PRO   OXT  O N N 368 
PRO   H    H N N 369 
PRO   HA   H N N 370 
PRO   HB2  H N N 371 
PRO   HB3  H N N 372 
PRO   HG2  H N N 373 
PRO   HG3  H N N 374 
PRO   HD2  H N N 375 
PRO   HD3  H N N 376 
PRO   HXT  H N N 377 
SER   N    N N N 378 
SER   CA   C N S 379 
SER   C    C N N 380 
SER   O    O N N 381 
SER   CB   C N N 382 
SER   OG   O N N 383 
SER   OXT  O N N 384 
SER   H    H N N 385 
SER   H2   H N N 386 
SER   HA   H N N 387 
SER   HB2  H N N 388 
SER   HB3  H N N 389 
SER   HG   H N N 390 
SER   HXT  H N N 391 
THR   N    N N N 392 
THR   CA   C N S 393 
THR   C    C N N 394 
THR   O    O N N 395 
THR   CB   C N R 396 
THR   OG1  O N N 397 
THR   CG2  C N N 398 
THR   OXT  O N N 399 
THR   H    H N N 400 
THR   H2   H N N 401 
THR   HA   H N N 402 
THR   HB   H N N 403 
THR   HG1  H N N 404 
THR   HG21 H N N 405 
THR   HG22 H N N 406 
THR   HG23 H N N 407 
THR   HXT  H N N 408 
TRP   N    N N N 409 
TRP   CA   C N S 410 
TRP   C    C N N 411 
TRP   O    O N N 412 
TRP   CB   C N N 413 
TRP   CG   C Y N 414 
TRP   CD1  C Y N 415 
TRP   CD2  C Y N 416 
TRP   NE1  N Y N 417 
TRP   CE2  C Y N 418 
TRP   CE3  C Y N 419 
TRP   CZ2  C Y N 420 
TRP   CZ3  C Y N 421 
TRP   CH2  C Y N 422 
TRP   OXT  O N N 423 
TRP   H    H N N 424 
TRP   H2   H N N 425 
TRP   HA   H N N 426 
TRP   HB2  H N N 427 
TRP   HB3  H N N 428 
TRP   HD1  H N N 429 
TRP   HE1  H N N 430 
TRP   HE3  H N N 431 
TRP   HZ2  H N N 432 
TRP   HZ3  H N N 433 
TRP   HH2  H N N 434 
TRP   HXT  H N N 435 
TYR   N    N N N 436 
TYR   CA   C N S 437 
TYR   C    C N N 438 
TYR   O    O N N 439 
TYR   CB   C N N 440 
TYR   CG   C Y N 441 
TYR   CD1  C Y N 442 
TYR   CD2  C Y N 443 
TYR   CE1  C Y N 444 
TYR   CE2  C Y N 445 
TYR   CZ   C Y N 446 
TYR   OH   O N N 447 
TYR   OXT  O N N 448 
TYR   H    H N N 449 
TYR   H2   H N N 450 
TYR   HA   H N N 451 
TYR   HB2  H N N 452 
TYR   HB3  H N N 453 
TYR   HD1  H N N 454 
TYR   HD2  H N N 455 
TYR   HE1  H N N 456 
TYR   HE2  H N N 457 
TYR   HH   H N N 458 
TYR   HXT  H N N 459 
VAL   N    N N N 460 
VAL   CA   C N S 461 
VAL   C    C N N 462 
VAL   O    O N N 463 
VAL   CB   C N N 464 
VAL   CG1  C N N 465 
VAL   CG2  C N N 466 
VAL   OXT  O N N 467 
VAL   H    H N N 468 
VAL   H2   H N N 469 
VAL   HA   H N N 470 
VAL   HB   H N N 471 
VAL   HG11 H N N 472 
VAL   HG12 H N N 473 
VAL   HG13 H N N 474 
VAL   HG21 H N N 475 
VAL   HG22 H N N 476 
VAL   HG23 H N N 477 
VAL   HXT  H N N 478 
# 
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 
A1INY C21 C22  sing N N 1   
A1INY C21 C20  sing N N 2   
A1INY C29 C28  sing N N 3   
A1INY C29 C30  sing N N 4   
A1INY C28 C27  sing N N 5   
A1INY C22 C23  sing N N 6   
A1INY C23 C24  sing N N 7   
A1INY C30 C31  sing N N 8   
A1INY C20 N4   sing N N 9   
A1INY C20 C19  sing N N 10  
A1INY N4  C24  sing N N 11  
A1INY N4  C25  sing N N 12  
A1INY O6  C25  doub N N 13  
A1INY C25 C26  sing N N 14  
A1INY C27 C26  sing N N 15  
A1INY C27 C32  sing N N 16  
A1INY O5  C19  doub N N 17  
A1INY C19 O4   sing N N 18  
A1INY C31 C32  sing N N 19  
A1INY C26 C4   sing N N 20  
A1INY O4  C18  sing N N 21  
A1INY C4  C5   doub Y N 22  
A1INY C4  C3   sing Y N 23  
A1INY C5  C6   sing Y N 24  
A1INY C18 C16  sing N N 25  
A1INY C3  C2   doub Y N 26  
A1INY C13 C14  doub Y N 27  
A1INY C13 N1   sing Y N 28  
A1INY C15 C16  sing N N 29  
A1INY C15 C14  sing N N 30  
A1INY C16 C17  sing N N 31  
A1INY C14 N2   sing Y N 32  
A1INY C6  O3   sing N N 33  
A1INY C6  C7   doub Y N 34  
A1INY C12 N1   sing N N 35  
A1INY C12 C11  sing N N 36  
A1INY N1  N3   sing Y N 37  
A1INY C9  C10  sing N N 38  
A1INY C9  O3   sing N N 39  
A1INY C9  C11  sing N N 40  
A1INY C2  C7   sing Y N 41  
A1INY C2  O1   sing N N 42  
A1INY C1  O1   sing N N 43  
A1INY C7  O2   sing N N 44  
A1INY N2  N3   doub Y N 45  
A1INY O2  C8   sing N N 46  
A1INY C5  H5   sing N N 47  
A1INY C11 H14  sing N N 48  
A1INY C11 H13  sing N N 49  
A1INY C8  H7   sing N N 50  
A1INY C8  H8   sing N N 51  
A1INY C8  H6   sing N N 52  
A1INY C9  H9   sing N N 53  
A1INY C10 H11  sing N N 54  
A1INY C10 H12  sing N N 55  
A1INY C10 H10  sing N N 56  
A1INY C12 H16  sing N N 57  
A1INY C12 H15  sing N N 58  
A1INY C13 H17  sing N N 59  
A1INY C3  H4   sing N N 60  
A1INY C1  H2   sing N N 61  
A1INY C1  H3   sing N N 62  
A1INY C1  H1   sing N N 63  
A1INY C15 H19  sing N N 64  
A1INY C15 H18  sing N N 65  
A1INY C16 H20  sing N N 66  
A1INY C17 H23  sing N N 67  
A1INY C17 H21  sing N N 68  
A1INY C17 H22  sing N N 69  
A1INY C18 H25  sing N N 70  
A1INY C18 H24  sing N N 71  
A1INY C20 H26  sing N N 72  
A1INY C21 H28  sing N N 73  
A1INY C21 H27  sing N N 74  
A1INY C22 H29  sing N N 75  
A1INY C22 H30  sing N N 76  
A1INY C23 H31  sing N N 77  
A1INY C23 H32  sing N N 78  
A1INY C24 H33  sing N N 79  
A1INY C24 H34  sing N N 80  
A1INY C26 H35  sing N N 81  
A1INY C27 H36  sing N N 82  
A1INY C28 H38  sing N N 83  
A1INY C28 H37  sing N N 84  
A1INY C29 H39  sing N N 85  
A1INY C29 H40  sing N N 86  
A1INY C30 H41  sing N N 87  
A1INY C30 H42  sing N N 88  
A1INY C31 H43  sing N N 89  
A1INY C31 H44  sing N N 90  
A1INY C32 H46  sing N N 91  
A1INY C32 H45  sing N N 92  
ALA   N   CA   sing N N 93  
ALA   N   H    sing N N 94  
ALA   N   H2   sing N N 95  
ALA   CA  C    sing N N 96  
ALA   CA  CB   sing N N 97  
ALA   CA  HA   sing N N 98  
ALA   C   O    doub N N 99  
ALA   C   OXT  sing N N 100 
ALA   CB  HB1  sing N N 101 
ALA   CB  HB2  sing N N 102 
ALA   CB  HB3  sing N N 103 
ALA   OXT HXT  sing N N 104 
ARG   N   CA   sing N N 105 
ARG   N   H    sing N N 106 
ARG   N   H2   sing N N 107 
ARG   CA  C    sing N N 108 
ARG   CA  CB   sing N N 109 
ARG   CA  HA   sing N N 110 
ARG   C   O    doub N N 111 
ARG   C   OXT  sing N N 112 
ARG   CB  CG   sing N N 113 
ARG   CB  HB2  sing N N 114 
ARG   CB  HB3  sing N N 115 
ARG   CG  CD   sing N N 116 
ARG   CG  HG2  sing N N 117 
ARG   CG  HG3  sing N N 118 
ARG   CD  NE   sing N N 119 
ARG   CD  HD2  sing N N 120 
ARG   CD  HD3  sing N N 121 
ARG   NE  CZ   sing N N 122 
ARG   NE  HE   sing N N 123 
ARG   CZ  NH1  sing N N 124 
ARG   CZ  NH2  doub N N 125 
ARG   NH1 HH11 sing N N 126 
ARG   NH1 HH12 sing N N 127 
ARG   NH2 HH21 sing N N 128 
ARG   NH2 HH22 sing N N 129 
ARG   OXT HXT  sing N N 130 
ASN   N   CA   sing N N 131 
ASN   N   H    sing N N 132 
ASN   N   H2   sing N N 133 
ASN   CA  C    sing N N 134 
ASN   CA  CB   sing N N 135 
ASN   CA  HA   sing N N 136 
ASN   C   O    doub N N 137 
ASN   C   OXT  sing N N 138 
ASN   CB  CG   sing N N 139 
ASN   CB  HB2  sing N N 140 
ASN   CB  HB3  sing N N 141 
ASN   CG  OD1  doub N N 142 
ASN   CG  ND2  sing N N 143 
ASN   ND2 HD21 sing N N 144 
ASN   ND2 HD22 sing N N 145 
ASN   OXT HXT  sing N N 146 
ASP   N   CA   sing N N 147 
ASP   N   H    sing N N 148 
ASP   N   H2   sing N N 149 
ASP   CA  C    sing N N 150 
ASP   CA  CB   sing N N 151 
ASP   CA  HA   sing N N 152 
ASP   C   O    doub N N 153 
ASP   C   OXT  sing N N 154 
ASP   CB  CG   sing N N 155 
ASP   CB  HB2  sing N N 156 
ASP   CB  HB3  sing N N 157 
ASP   CG  OD1  doub N N 158 
ASP   CG  OD2  sing N N 159 
ASP   OD2 HD2  sing N N 160 
ASP   OXT HXT  sing N N 161 
CYS   N   CA   sing N N 162 
CYS   N   H    sing N N 163 
CYS   N   H2   sing N N 164 
CYS   CA  C    sing N N 165 
CYS   CA  CB   sing N N 166 
CYS   CA  HA   sing N N 167 
CYS   C   O    doub N N 168 
CYS   C   OXT  sing N N 169 
CYS   CB  SG   sing N N 170 
CYS   CB  HB2  sing N N 171 
CYS   CB  HB3  sing N N 172 
CYS   SG  HG   sing N N 173 
CYS   OXT HXT  sing N N 174 
GLN   N   CA   sing N N 175 
GLN   N   H    sing N N 176 
GLN   N   H2   sing N N 177 
GLN   CA  C    sing N N 178 
GLN   CA  CB   sing N N 179 
GLN   CA  HA   sing N N 180 
GLN   C   O    doub N N 181 
GLN   C   OXT  sing N N 182 
GLN   CB  CG   sing N N 183 
GLN   CB  HB2  sing N N 184 
GLN   CB  HB3  sing N N 185 
GLN   CG  CD   sing N N 186 
GLN   CG  HG2  sing N N 187 
GLN   CG  HG3  sing N N 188 
GLN   CD  OE1  doub N N 189 
GLN   CD  NE2  sing N N 190 
GLN   NE2 HE21 sing N N 191 
GLN   NE2 HE22 sing N N 192 
GLN   OXT HXT  sing N N 193 
GLU   N   CA   sing N N 194 
GLU   N   H    sing N N 195 
GLU   N   H2   sing N N 196 
GLU   CA  C    sing N N 197 
GLU   CA  CB   sing N N 198 
GLU   CA  HA   sing N N 199 
GLU   C   O    doub N N 200 
GLU   C   OXT  sing N N 201 
GLU   CB  CG   sing N N 202 
GLU   CB  HB2  sing N N 203 
GLU   CB  HB3  sing N N 204 
GLU   CG  CD   sing N N 205 
GLU   CG  HG2  sing N N 206 
GLU   CG  HG3  sing N N 207 
GLU   CD  OE1  doub N N 208 
GLU   CD  OE2  sing N N 209 
GLU   OE2 HE2  sing N N 210 
GLU   OXT HXT  sing N N 211 
GLY   N   CA   sing N N 212 
GLY   N   H    sing N N 213 
GLY   N   H2   sing N N 214 
GLY   CA  C    sing N N 215 
GLY   CA  HA2  sing N N 216 
GLY   CA  HA3  sing N N 217 
GLY   C   O    doub N N 218 
GLY   C   OXT  sing N N 219 
GLY   OXT HXT  sing N N 220 
HIS   N   CA   sing N N 221 
HIS   N   H    sing N N 222 
HIS   N   H2   sing N N 223 
HIS   CA  C    sing N N 224 
HIS   CA  CB   sing N N 225 
HIS   CA  HA   sing N N 226 
HIS   C   O    doub N N 227 
HIS   C   OXT  sing N N 228 
HIS   CB  CG   sing N N 229 
HIS   CB  HB2  sing N N 230 
HIS   CB  HB3  sing N N 231 
HIS   CG  ND1  sing Y N 232 
HIS   CG  CD2  doub Y N 233 
HIS   ND1 CE1  doub Y N 234 
HIS   ND1 HD1  sing N N 235 
HIS   CD2 NE2  sing Y N 236 
HIS   CD2 HD2  sing N N 237 
HIS   CE1 NE2  sing Y N 238 
HIS   CE1 HE1  sing N N 239 
HIS   NE2 HE2  sing N N 240 
HIS   OXT HXT  sing N N 241 
HOH   O   H1   sing N N 242 
HOH   O   H2   sing N N 243 
ILE   N   CA   sing N N 244 
ILE   N   H    sing N N 245 
ILE   N   H2   sing N N 246 
ILE   CA  C    sing N N 247 
ILE   CA  CB   sing N N 248 
ILE   CA  HA   sing N N 249 
ILE   C   O    doub N N 250 
ILE   C   OXT  sing N N 251 
ILE   CB  CG1  sing N N 252 
ILE   CB  CG2  sing N N 253 
ILE   CB  HB   sing N N 254 
ILE   CG1 CD1  sing N N 255 
ILE   CG1 HG12 sing N N 256 
ILE   CG1 HG13 sing N N 257 
ILE   CG2 HG21 sing N N 258 
ILE   CG2 HG22 sing N N 259 
ILE   CG2 HG23 sing N N 260 
ILE   CD1 HD11 sing N N 261 
ILE   CD1 HD12 sing N N 262 
ILE   CD1 HD13 sing N N 263 
ILE   OXT HXT  sing N N 264 
LEU   N   CA   sing N N 265 
LEU   N   H    sing N N 266 
LEU   N   H2   sing N N 267 
LEU   CA  C    sing N N 268 
LEU   CA  CB   sing N N 269 
LEU   CA  HA   sing N N 270 
LEU   C   O    doub N N 271 
LEU   C   OXT  sing N N 272 
LEU   CB  CG   sing N N 273 
LEU   CB  HB2  sing N N 274 
LEU   CB  HB3  sing N N 275 
LEU   CG  CD1  sing N N 276 
LEU   CG  CD2  sing N N 277 
LEU   CG  HG   sing N N 278 
LEU   CD1 HD11 sing N N 279 
LEU   CD1 HD12 sing N N 280 
LEU   CD1 HD13 sing N N 281 
LEU   CD2 HD21 sing N N 282 
LEU   CD2 HD22 sing N N 283 
LEU   CD2 HD23 sing N N 284 
LEU   OXT HXT  sing N N 285 
LYS   N   CA   sing N N 286 
LYS   N   H    sing N N 287 
LYS   N   H2   sing N N 288 
LYS   CA  C    sing N N 289 
LYS   CA  CB   sing N N 290 
LYS   CA  HA   sing N N 291 
LYS   C   O    doub N N 292 
LYS   C   OXT  sing N N 293 
LYS   CB  CG   sing N N 294 
LYS   CB  HB2  sing N N 295 
LYS   CB  HB3  sing N N 296 
LYS   CG  CD   sing N N 297 
LYS   CG  HG2  sing N N 298 
LYS   CG  HG3  sing N N 299 
LYS   CD  CE   sing N N 300 
LYS   CD  HD2  sing N N 301 
LYS   CD  HD3  sing N N 302 
LYS   CE  NZ   sing N N 303 
LYS   CE  HE2  sing N N 304 
LYS   CE  HE3  sing N N 305 
LYS   NZ  HZ1  sing N N 306 
LYS   NZ  HZ2  sing N N 307 
LYS   NZ  HZ3  sing N N 308 
LYS   OXT HXT  sing N N 309 
MET   N   CA   sing N N 310 
MET   N   H    sing N N 311 
MET   N   H2   sing N N 312 
MET   CA  C    sing N N 313 
MET   CA  CB   sing N N 314 
MET   CA  HA   sing N N 315 
MET   C   O    doub N N 316 
MET   C   OXT  sing N N 317 
MET   CB  CG   sing N N 318 
MET   CB  HB2  sing N N 319 
MET   CB  HB3  sing N N 320 
MET   CG  SD   sing N N 321 
MET   CG  HG2  sing N N 322 
MET   CG  HG3  sing N N 323 
MET   SD  CE   sing N N 324 
MET   CE  HE1  sing N N 325 
MET   CE  HE2  sing N N 326 
MET   CE  HE3  sing N N 327 
MET   OXT HXT  sing N N 328 
PHE   N   CA   sing N N 329 
PHE   N   H    sing N N 330 
PHE   N   H2   sing N N 331 
PHE   CA  C    sing N N 332 
PHE   CA  CB   sing N N 333 
PHE   CA  HA   sing N N 334 
PHE   C   O    doub N N 335 
PHE   C   OXT  sing N N 336 
PHE   CB  CG   sing N N 337 
PHE   CB  HB2  sing N N 338 
PHE   CB  HB3  sing N N 339 
PHE   CG  CD1  doub Y N 340 
PHE   CG  CD2  sing Y N 341 
PHE   CD1 CE1  sing Y N 342 
PHE   CD1 HD1  sing N N 343 
PHE   CD2 CE2  doub Y N 344 
PHE   CD2 HD2  sing N N 345 
PHE   CE1 CZ   doub Y N 346 
PHE   CE1 HE1  sing N N 347 
PHE   CE2 CZ   sing Y N 348 
PHE   CE2 HE2  sing N N 349 
PHE   CZ  HZ   sing N N 350 
PHE   OXT HXT  sing N N 351 
PRO   N   CA   sing N N 352 
PRO   N   CD   sing N N 353 
PRO   N   H    sing N N 354 
PRO   CA  C    sing N N 355 
PRO   CA  CB   sing N N 356 
PRO   CA  HA   sing N N 357 
PRO   C   O    doub N N 358 
PRO   C   OXT  sing N N 359 
PRO   CB  CG   sing N N 360 
PRO   CB  HB2  sing N N 361 
PRO   CB  HB3  sing N N 362 
PRO   CG  CD   sing N N 363 
PRO   CG  HG2  sing N N 364 
PRO   CG  HG3  sing N N 365 
PRO   CD  HD2  sing N N 366 
PRO   CD  HD3  sing N N 367 
PRO   OXT HXT  sing N N 368 
SER   N   CA   sing N N 369 
SER   N   H    sing N N 370 
SER   N   H2   sing N N 371 
SER   CA  C    sing N N 372 
SER   CA  CB   sing N N 373 
SER   CA  HA   sing N N 374 
SER   C   O    doub N N 375 
SER   C   OXT  sing N N 376 
SER   CB  OG   sing N N 377 
SER   CB  HB2  sing N N 378 
SER   CB  HB3  sing N N 379 
SER   OG  HG   sing N N 380 
SER   OXT HXT  sing N N 381 
THR   N   CA   sing N N 382 
THR   N   H    sing N N 383 
THR   N   H2   sing N N 384 
THR   CA  C    sing N N 385 
THR   CA  CB   sing N N 386 
THR   CA  HA   sing N N 387 
THR   C   O    doub N N 388 
THR   C   OXT  sing N N 389 
THR   CB  OG1  sing N N 390 
THR   CB  CG2  sing N N 391 
THR   CB  HB   sing N N 392 
THR   OG1 HG1  sing N N 393 
THR   CG2 HG21 sing N N 394 
THR   CG2 HG22 sing N N 395 
THR   CG2 HG23 sing N N 396 
THR   OXT HXT  sing N N 397 
TRP   N   CA   sing N N 398 
TRP   N   H    sing N N 399 
TRP   N   H2   sing N N 400 
TRP   CA  C    sing N N 401 
TRP   CA  CB   sing N N 402 
TRP   CA  HA   sing N N 403 
TRP   C   O    doub N N 404 
TRP   C   OXT  sing N N 405 
TRP   CB  CG   sing N N 406 
TRP   CB  HB2  sing N N 407 
TRP   CB  HB3  sing N N 408 
TRP   CG  CD1  doub Y N 409 
TRP   CG  CD2  sing Y N 410 
TRP   CD1 NE1  sing Y N 411 
TRP   CD1 HD1  sing N N 412 
TRP   CD2 CE2  doub Y N 413 
TRP   CD2 CE3  sing Y N 414 
TRP   NE1 CE2  sing Y N 415 
TRP   NE1 HE1  sing N N 416 
TRP   CE2 CZ2  sing Y N 417 
TRP   CE3 CZ3  doub Y N 418 
TRP   CE3 HE3  sing N N 419 
TRP   CZ2 CH2  doub Y N 420 
TRP   CZ2 HZ2  sing N N 421 
TRP   CZ3 CH2  sing Y N 422 
TRP   CZ3 HZ3  sing N N 423 
TRP   CH2 HH2  sing N N 424 
TRP   OXT HXT  sing N N 425 
TYR   N   CA   sing N N 426 
TYR   N   H    sing N N 427 
TYR   N   H2   sing N N 428 
TYR   CA  C    sing N N 429 
TYR   CA  CB   sing N N 430 
TYR   CA  HA   sing N N 431 
TYR   C   O    doub N N 432 
TYR   C   OXT  sing N N 433 
TYR   CB  CG   sing N N 434 
TYR   CB  HB2  sing N N 435 
TYR   CB  HB3  sing N N 436 
TYR   CG  CD1  doub Y N 437 
TYR   CG  CD2  sing Y N 438 
TYR   CD1 CE1  sing Y N 439 
TYR   CD1 HD1  sing N N 440 
TYR   CD2 CE2  doub Y N 441 
TYR   CD2 HD2  sing N N 442 
TYR   CE1 CZ   doub Y N 443 
TYR   CE1 HE1  sing N N 444 
TYR   CE2 CZ   sing Y N 445 
TYR   CE2 HE2  sing N N 446 
TYR   CZ  OH   sing N N 447 
TYR   OH  HH   sing N N 448 
TYR   OXT HXT  sing N N 449 
VAL   N   CA   sing N N 450 
VAL   N   H    sing N N 451 
VAL   N   H2   sing N N 452 
VAL   CA  C    sing N N 453 
VAL   CA  CB   sing N N 454 
VAL   CA  HA   sing N N 455 
VAL   C   O    doub N N 456 
VAL   C   OXT  sing N N 457 
VAL   CB  CG1  sing N N 458 
VAL   CB  CG2  sing N N 459 
VAL   CB  HB   sing N N 460 
VAL   CG1 HG11 sing N N 461 
VAL   CG1 HG12 sing N N 462 
VAL   CG1 HG13 sing N N 463 
VAL   CG2 HG21 sing N N 464 
VAL   CG2 HG22 sing N N 465 
VAL   CG2 HG23 sing N N 466 
VAL   OXT HXT  sing N N 467 
# 
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                    9GPZ 
_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]   0.020397 
_atom_sites.fract_transf_matrix[1][2]   0.011776 
_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]   0.023552 
_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]   0.005111 
_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   ? 3.059  -4.65   3.774   1 46.289 ? 13  GLY   B N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? 4.253  -5.495  3.926   1 49.921 ? 13  GLY   B CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? 5.482  -4.638  3.663   1 50.492 ? 13  GLY   B C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? 5.486  -3.468  4.058   1 45.349 ? 13  GLY   B O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? 2.313  -5.141  3.923   1 49.392 ? 13  GLY   B H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? 3.022  -4.31   2.936   1 46.941 ? 13  GLY   B H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? 3.083  -3.968  4.368   1 47.366 ? 13  GLY   B H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? 4.285  -5.865  4.839   1 50.363 ? 13  GLY   B HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? 4.215  -6.243  3.285   1 49.967 ? 13  GLY   B HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? 6.448  -5.191  2.923   1 50.907 ? 14  ALA   B N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? 7.79   -4.636  2.954   1 45.912 ? 14  ALA   B CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? 7.791  -3.163  2.55    1 39.233 ? 14  ALA   B C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? 8.377  -2.364  3.255   1 41.33  ? 14  ALA   B O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? 8.768  -5.465  2.133   1 51.035 ? 14  ALA   B CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? 6.271  -5.914  2.393   1 50.48  ? 14  ALA   B H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? 8.093  -4.673  3.904   1 46.587 ? 14  ALA   B HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? 8.822  -6.364  2.499   1 50.244 ? 14  ALA   B HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? 8.468  -5.512  1.212   1 49.198 ? 14  ALA   B HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? 9.649  -5.054  2.162   1 48.088 ? 14  ALA   B HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? 7.244  -2.723  1.403   1 39.244 ? 15  PRO   B N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? 7.327  -1.295  1.058   1 41.612 ? 15  PRO   B CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? 6.714  -0.4    2.153   1 40.006 ? 15  PRO   B C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? 7.275  0.622   2.524   1 35.908 ? 15  PRO   B O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? 6.546  -1.198  -0.31   1 40.023 ? 15  PRO   B CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? 6.655  -2.619  -0.867  1 44.796 ? 15  PRO   B CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? 6.598  -3.529  0.354   1 42.383 ? 15  PRO   B CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? 8.276  -1.051  0.915   1 39.008 ? 15  PRO   B HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? 5.604  -0.945  -0.164  1 42.362 ? 15  PRO   B HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? 6.97   -0.545  -0.915  1 40.405 ? 15  PRO   B HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? 5.913  -2.812  -1.478  1 43.968 ? 15  PRO   B HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? 7.5    -2.74   -1.35   1 42.112 ? 15  PRO   B HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? 5.668  -3.74   0.592   1 43.974 ? 15  PRO   B HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? 7.087  -4.363  0.192   1 42.759 ? 15  PRO   B HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? 5.559  -0.803  2.694   1 42.194 ? 16  ALA   B N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? 4.913  -0.009  3.724   1 41.429 ? 16  ALA   B CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? 5.801  0.12    4.967   1 38.637 ? 16  ALA   B C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? 5.803  1.152   5.656   1 39.037 ? 16  ALA   B O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? 3.569  -0.655  4.027   1 46.893 ? 16  ALA   B CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? 5.166  -1.579  2.414   1 42.524 ? 16  ALA   B H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? 4.758  0.906   3.358   1 41.466 ? 16  ALA   B HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? 3.047  -0.724  3.21    1 46.306 ? 16  ALA   B HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? 3.708  -1.543  4.395   1 46.473 ? 16  ALA   B HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? 3.084  -0.113  4.673   1 46.824 ? 16  ALA   B HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? 6.493  -0.969  5.317   1 42.086 ? 17  THR   B N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? 7.317  -0.999  6.521   1 38.148 ? 17  THR   B CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? 8.465  -0.03   6.309   1 36.827 ? 17  THR   B C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? 8.918  0.615   7.235   1 36.567 ? 17  THR   B O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? 7.793  -2.436  6.758   1 42.729 ? 17  THR   B CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? 6.614  -3.159  7.122   1 42.421 ? 17  THR   B OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? 8.768  -2.582  7.922   1 47.614 ? 17  THR   B CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? 6.447  -1.719  4.796   1 40.436 ? 17  THR   B H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? 6.777  -0.705  7.287   1 40.758 ? 17  THR   B HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? 8.18   -2.817  5.934   1 41.422 ? 17  THR   B HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? 6.269  -2.807  7.837   0 30     ? 17  THR   B HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? 8.873  -3.524  8.141   1 46.903 ? 17  THR   B HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? 8.422  -2.108  8.697   1 46.916 ? 17  THR   B HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? 9.63   -2.21   7.674   1 44.858 ? 17  THR   B HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? 8.999  0.021   5.068   1 34.59  ? 18  VAL   B N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? 10.101 0.944   4.818   1 34.439 ? 18  VAL   B CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? 9.591  2.384   4.934   1 38.558 ? 18  VAL   B C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? 10.302 3.193   5.533   1 35.821 ? 18  VAL   B O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? 10.841 0.765   3.475   1 34.507 ? 18  VAL   B CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? 11.93  1.823   3.317   1 31.043 ? 18  VAL   B CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? 11.371 -0.674  3.32    1 36.507 ? 18  VAL   B CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? 8.689  -0.512  4.394   1 35.165 ? 18  VAL   B H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? 10.757 0.81    5.527   1 35.191 ? 18  VAL   B HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? 10.179 0.914   2.76    1 34.126 ? 18  VAL   B HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? 12.374 1.964   4.17    1 32.029 ? 18  VAL   B HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? 11.532 2.657   3.016   1 31.676 ? 18  VAL   B HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? 12.582 1.522   2.661   1 31.19  ? 18  VAL   B HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? 11.853 -0.754  2.48    1 35.258 ? 18  VAL   B HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? 10.627 -1.298  3.325   1 36.69  ? 18  VAL   B HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? 11.969 -0.881  4.057   1 36.112 ? 18  VAL   B HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? 8.407  2.706   4.352   1 38.647 ? 19  THR   B N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? 7.78   4.019   4.545   1 38.317 ? 19  THR   B CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? 7.713  4.364   6.04    1 36.979 ? 19  THR   B C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? 8.05   5.49    6.454   1 33.47  ? 19  THR   B O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? 6.381  4.022   3.919   1 41.408 ? 19  THR   B CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? 6.582  3.905   2.505   1 41.485 ? 19  THR   B OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? 5.57   5.247   4.269   1 44.052 ? 19  THR   B CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? 7.988  2.091   3.822   1 38.687 ? 19  THR   B H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? 8.329  4.694   4.089   1 37.594 ? 19  THR   B HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? 5.887  3.229   4.235   1 42.282 ? 19  THR   B HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? 7.051  4.572   2.226   0 30     ? 19  THR   B HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? 4.854  5.358   3.622   1 44.102 ? 19  THR   B HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? 6.144  6.032   4.253   1 43.004 ? 19  THR   B HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? 5.189  5.143   5.157   1 44.635 ? 19  THR   B HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? 7.272  3.387   6.847   1 36.534 ? 20  GLU   B N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? 7      3.65    8.267   1 39.759 ? 20  GLU   B CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? 8.299  3.744   9.082   1 42.501 ? 20  GLU   B C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? 8.361  4.549   10.04   1 42.72  ? 20  GLU   B O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? 6.133  2.59    8.974   1 43.523 ? 20  GLU   B CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? 7.132  2.547   6.515   1 37.314 ? 20  GLU   B H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? 6.53   4.52    8.333   1 40.86  ? 20  GLU   B HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? 6.718  1.946   9.41    0 30     ? 20  GLU   B HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? 5.186  2.817   8.828   0 30     ? 20  GLU   B HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? 9.299  2.89    8.752   1 38.236 ? 21  GLN   B N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? 10.393 2.594   9.676   1 39.034 ? 21  GLN   B CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? 11.754 2.926   9.073   1 37.103 ? 21  GLN   B C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? 12.771 2.842   9.785   1 36.232 ? 21  GLN   B O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? 10.455 1.15    10.159  1 39.28  ? 21  GLN   B CB   1 ? 1 
ATOM   102  C CG   . GLN   A 1 9   ? 9.201  0.717   10.897  1 43.368 ? 21  GLN   B CG   1 ? 1 
ATOM   103  C CD   . GLN   A 1 9   ? 9.277  -0.751  11.238  1 44.742 ? 21  GLN   B CD   1 ? 1 
ATOM   104  O OE1  . GLN   A 1 9   ? 10.333 -1.376  11.212  1 44.956 ? 21  GLN   B OE1  1 ? 1 
ATOM   105  N NE2  . GLN   A 1 9   ? 8.136  -1.334  11.518  1 47.172 ? 21  GLN   B NE2  1 ? 1 
ATOM   106  H H    . GLN   A 1 9   ? 9.278  2.466   7.942   1 38.312 ? 21  GLN   B H    1 c 1 
ATOM   107  H HA   . GLN   A 1 9   ? 10.275 3.162   10.479  1 39.715 ? 21  GLN   B HA   1 c 1 
ATOM   108  H HB2  . GLN   A 1 9   ? 10.591 0.564   9.385   1 39.114 ? 21  GLN   B HB2  1 c 1 
ATOM   109  H HB3  . GLN   A 1 9   ? 11.227 1.046   10.753  1 40.107 ? 21  GLN   B HB3  1 c 1 
ATOM   110  H HG2  . GLN   A 1 9   ? 9.106  1.24    11.721  1 43.924 ? 21  GLN   B HG2  1 c 1 
ATOM   111  H HG3  . GLN   A 1 9   ? 8.413  0.882   10.336  1 42.933 ? 21  GLN   B HG3  1 c 1 
ATOM   112  H HE21 . GLN   A 1 9   ? 8.053  -2.213  11.424  1 47.407 ? 21  GLN   B HE21 1 c 1 
ATOM   113  H HE22 . GLN   A 1 9   ? 7.448  -0.851  11.803  1 47.748 ? 21  GLN   B HE22 1 c 1 
ATOM   114  N N    . GLY   A 1 10  ? 11.795 3.228   7.772   1 35.767 ? 22  GLY   B N    1 ? 1 
ATOM   115  C CA   . GLY   A 1 10  ? 13.102 3.316   7.134   1 34.403 ? 22  GLY   B CA   1 ? 1 
ATOM   116  C C    . GLY   A 1 10  ? 13.827 4.615   7.465   1 33.366 ? 22  GLY   B C    1 ? 1 
ATOM   117  O O    . GLY   A 1 10  ? 13.234 5.627   7.802   1 34.039 ? 22  GLY   B O    1 ? 1 
ATOM   118  H H    . GLY   A 1 10  ? 11.038 3.39    7.287   1 35.717 ? 22  GLY   B H    1 c 1 
ATOM   119  H HA2  . GLY   A 1 10  ? 13.651 2.55    7.423   1 34.31  ? 22  GLY   B HA2  1 c 1 
ATOM   120  H HA3  . GLY   A 1 10  ? 12.984 3.25    6.157   1 33.413 ? 22  GLY   B HA3  1 c 1 
ATOM   121  N N    . GLU   A 1 11  ? 15.166 4.53    7.441   1 35.977 ? 23  GLU   B N    1 ? 1 
ATOM   122  C CA   . GLU   A 1 11  ? 16.026 5.688   7.605   1 35.227 ? 23  GLU   B CA   1 ? 1 
ATOM   123  C C    . GLU   A 1 11  ? 16.124 6.465   6.29    1 33.599 ? 23  GLU   B C    1 ? 1 
ATOM   124  O O    . GLU   A 1 11  ? 16.28  5.844   5.239   1 31.731 ? 23  GLU   B O    1 ? 1 
ATOM   125  C CB   . GLU   A 1 11  ? 17.392 5.076   7.953   1 31.866 ? 23  GLU   B CB   1 ? 1 
ATOM   126  C CG   . GLU   A 1 11  ? 18.522 6.099   7.937   1 43.124 ? 23  GLU   B CG   1 ? 1 
ATOM   127  C CD   . GLU   A 1 11  ? 19.935 5.59    8.301   1 52.227 ? 23  GLU   B CD   1 ? 1 
ATOM   128  O OE1  . GLU   A 1 11  ? 20.3   4.363   8.324   1 51.431 ? 23  GLU   B OE1  1 ? 1 
ATOM   129  O OE2  . GLU   A 1 11  ? 20.699 6.56    8.535   1 46.529 ? 23  GLU   B OE2  1 ? 1 
ATOM   130  H H    . GLU   A 1 11  ? 15.553 3.711   7.314   1 34.747 ? 23  GLU   B H    1 c 1 
ATOM   131  H HA   . GLU   A 1 11  ? 15.68  6.265   8.332   1 35.437 ? 23  GLU   B HA   1 c 1 
ATOM   132  H HB2  . GLU   A 1 11  ? 17.339 4.665   8.841   1 35.609 ? 23  GLU   B HB2  1 c 1 
ATOM   133  H HB3  . GLU   A 1 11  ? 17.6   4.369   7.307   1 34.145 ? 23  GLU   B HB3  1 c 1 
ATOM   134  H HG2  . GLU   A 1 11  ? 18.571 6.496   7.042   1 41.068 ? 23  GLU   B HG2  1 c 1 
ATOM   135  H HG3  . GLU   A 1 11  ? 18.293 6.824   8.556   1 42.581 ? 23  GLU   B HG3  1 c 1 
ATOM   136  N N    . ASP   A 1 12  ? 16.092 7.784   6.338   1 31.202 ? 24  ASP   B N    1 ? 1 
ATOM   137  C CA   . ASP   A 1 12  ? 16.259 8.595   5.136   1 29.419 ? 24  ASP   B CA   1 ? 1 
ATOM   138  C C    . ASP   A 1 12  ? 17.761 8.773   4.887   1 33.72  ? 24  ASP   B C    1 ? 1 
ATOM   139  O O    . ASP   A 1 12  ? 18.472 9.378   5.689   1 30.855 ? 24  ASP   B O    1 ? 1 
ATOM   140  C CB   . ASP   A 1 12  ? 15.63  9.97    5.342   1 35.532 ? 24  ASP   B CB   1 ? 1 
ATOM   141  C CG   . ASP   A 1 12  ? 15.707 10.908  4.139   1 33.802 ? 24  ASP   B CG   1 ? 1 
ATOM   142  O OD1  . ASP   A 1 12  ? 16.321 10.504  3.123   1 29.33  ? 24  ASP   B OD1  1 ? 1 
ATOM   143  O OD2  . ASP   A 1 12  ? 15.153 12.023  4.204   1 35.73  ? 24  ASP   B OD2  1 ? 1 
ATOM   144  H H    . ASP   A 1 12  ? 15.963 8.204   7.14    1 32.511 ? 24  ASP   B H    1 c 1 
ATOM   145  H HA   . ASP   A 1 12  ? 15.845 8.137   4.372   1 30.534 ? 24  ASP   B HA   1 c 1 
ATOM   146  H HB2  . ASP   A 1 12  ? 14.685 9.849   5.571   1 34.045 ? 24  ASP   B HB2  1 c 1 
ATOM   147  H HB3  . ASP   A 1 12  ? 16.068 10.409  6.1     1 34.771 ? 24  ASP   B HB3  1 c 1 
ATOM   148  N N    . ILE   A 1 13  ? 18.286 8.15    3.854   1 30.164 ? 25  ILE   B N    1 ? 1 
ATOM   149  C CA   . ILE   A 1 13  ? 19.722 8.242   3.607   1 33.919 ? 25  ILE   B CA   1 ? 1 
ATOM   150  C C    . ILE   A 1 13  ? 20.068 9.25    2.513   1 34.76  ? 25  ILE   B C    1 ? 1 
ATOM   151  O O    . ILE   A 1 13  ? 21.208 9.217   2.022   1 33.509 ? 25  ILE   B O    1 ? 1 
ATOM   152  C CB   . ILE   A 1 13  ? 20.267 6.842   3.266   1 32.62  ? 25  ILE   B CB   1 ? 1 
ATOM   153  C CG1  . ILE   A 1 13  ? 19.557 6.246   2.059   1 33.747 ? 25  ILE   B CG1  1 ? 1 
ATOM   154  C CG2  . ILE   A 1 13  ? 20.168 5.917   4.498   1 39.095 ? 25  ILE   B CG2  1 ? 1 
ATOM   155  C CD1  . ILE   A 1 13  ? 20.233 4.975   1.548   1 36.995 ? 25  ILE   B CD1  1 ? 1 
ATOM   156  H H    . ILE   A 1 13  ? 17.755 7.674   3.282   1 30.843 ? 25  ILE   B H    1 c 1 
ATOM   157  H HA   . ILE   A 1 13  ? 20.155 8.534   4.432   1 34.079 ? 25  ILE   B HA   1 c 1 
ATOM   158  H HB   . ILE   A 1 13  ? 21.214 6.936   3.038   1 34.624 ? 25  ILE   B HB   1 c 1 
ATOM   159  H HG12 . ILE   A 1 13  ? 18.633 6.035   2.303   1 33.62  ? 25  ILE   B HG12 1 c 1 
ATOM   160  H HG13 . ILE   A 1 13  ? 19.537 6.908   1.338   1 33.878 ? 25  ILE   B HG13 1 c 1 
ATOM   161  H HG21 . ILE   A 1 13  ? 20.67  5.101   4.336   1 37.093 ? 25  ILE   B HG21 1 c 1 
ATOM   162  H HG22 . ILE   A 1 13  ? 19.236 5.694   4.664   1 36.818 ? 25  ILE   B HG22 1 c 1 
ATOM   163  H HG23 . ILE   A 1 13  ? 20.533 6.37    5.277   1 37.995 ? 25  ILE   B HG23 1 c 1 
ATOM   164  H HD11 . ILE   A 1 13  ? 21.193 5.129   1.458   1 36.378 ? 25  ILE   B HD11 1 c 1 
ATOM   165  H HD12 . ILE   A 1 13  ? 19.862 4.734   0.678   1 35.39  ? 25  ILE   B HD12 1 c 1 
ATOM   166  H HD13 . ILE   A 1 13  ? 20.08  4.246   2.178   1 35.984 ? 25  ILE   B HD13 1 c 1 
ATOM   167  N N    . THR   A 1 14  ? 19.133 10.148  2.141   1 33.58  ? 26  THR   B N    1 ? 1 
ATOM   168  C CA   . THR   A 1 14  ? 19.407 11.26   1.21    1 36.486 ? 26  THR   B CA   1 ? 1 
ATOM   169  C C    . THR   A 1 14  ? 20.15  12.419  1.883   1 38.886 ? 26  THR   B C    1 ? 1 
ATOM   170  O O    . THR   A 1 14  ? 19.924 12.687  3.064   1 36.929 ? 26  THR   B O    1 ? 1 
ATOM   171  C CB   . THR   A 1 14  ? 18.139 11.789  0.539   1 37.54  ? 26  THR   B CB   1 ? 1 
ATOM   172  O OG1  . THR   A 1 14  ? 17.329 12.453  1.508   1 36.192 ? 26  THR   B OG1  1 ? 1 
ATOM   173  C CG2  . THR   A 1 14  ? 17.466 10.694  -0.285  1 36.184 ? 26  THR   B CG2  1 ? 1 
ATOM   174  H H    . THR   A 1 14  ? 18.287 10.067  2.476   1 34.157 ? 26  THR   B H    1 c 1 
ATOM   175  H HA   . THR   A 1 14  ? 19.987 10.907  0.501   1 36.103 ? 26  THR   B HA   1 c 1 
ATOM   176  H HB   . THR   A 1 14  ? 18.429 12.467  -0.117  1 37.383 ? 26  THR   B HB   1 c 1 
ATOM   177  H HG1  . THR   A 1 14  ? 17.115 11.889  2.13    0 30     ? 26  THR   B HG1  1 c 1 
ATOM   178  H HG21 . THR   A 1 14  ? 16.642 11.037  -0.67   1 36.216 ? 26  THR   B HG21 1 c 1 
ATOM   179  H HG22 . THR   A 1 14  ? 17.264 9.934   0.286   1 35.73  ? 26  THR   B HG22 1 c 1 
ATOM   180  H HG23 . THR   A 1 14  ? 18.062 10.412  -0.999  1 35.982 ? 26  THR   B HG23 1 c 1 
ATOM   181  N N    . SER   A 1 15  ? 20.957 13.161  1.089   1 37.283 ? 27  SER   B N    1 ? 1 
ATOM   182  C CA   . SER   A 1 15  ? 21.676 14.316  1.598   1 39.855 ? 27  SER   B CA   1 ? 1 
ATOM   183  C C    . SER   A 1 15  ? 20.686 15.433  1.861   1 40.835 ? 27  SER   B C    1 ? 1 
ATOM   184  O O    . SER   A 1 15  ? 20.849 16.157  2.846   1 38.051 ? 27  SER   B O    1 ? 1 
ATOM   185  C CB   . SER   A 1 15  ? 22.858 14.735  0.733   1 47.314 ? 27  SER   B CB   1 ? 1 
ATOM   186  O OG   . SER   A 1 15  ? 23.776 13.631  0.636   1 48.795 ? 27  SER   B OG   1 ? 1 
ATOM   187  H H    . SER   A 1 15  ? 21.054 12.935  0.209   1 37.562 ? 27  SER   B H    1 c 1 
ATOM   188  H HA   . SER   A 1 15  ? 22.048 14.053  2.478   1 41.168 ? 27  SER   B HA   1 c 1 
ATOM   189  H HB2  . SER   A 1 15  ? 22.543 14.983  -0.157  1 45.968 ? 27  SER   B HB2  1 c 1 
ATOM   190  H HB3  . SER   A 1 15  ? 23.303 15.504  1.135   1 47.683 ? 27  SER   B HB3  1 c 1 
ATOM   191  H HG   . SER   A 1 15  ? 24.425 13.869  0.158   0 30     ? 27  SER   B HG   1 c 1 
ATOM   192  N N    . LYS   A 1 16  ? 19.678 15.54   1.008   1 38.38  ? 28  LYS   B N    1 ? 1 
ATOM   193  C CA   . LYS   A 1 16  ? 18.662 16.584  1.103   1 43.078 ? 28  LYS   B CA   1 ? 1 
ATOM   194  C C    . LYS   A 1 16  ? 17.653 16.312  2.223   1 39.503 ? 28  LYS   B C    1 ? 1 
ATOM   195  O O    . LYS   A 1 16  ? 17.003 17.248  2.704   1 39.156 ? 28  LYS   B O    1 ? 1 
ATOM   196  C CB   . LYS   A 1 16  ? 17.864 16.821  -0.189  1 45.997 ? 28  LYS   B CB   1 ? 1 
ATOM   197  C CG   . LYS   A 1 16  ? 18.659 17.544  -1.241  1 59.21  ? 28  LYS   B CG   1 ? 1 
ATOM   198  C CD   . LYS   A 1 16  ? 17.983 17.527  -2.603  1 62.53  ? 28  LYS   B CD   1 ? 1 
ATOM   199  C CE   . LYS   A 1 16  ? 19.07  17.529  -3.613  1 68.098 ? 28  LYS   B CE   1 ? 1 
ATOM   200  N NZ   . LYS   A 1 16  ? 18.52  17.714  -4.953  1 76.41  ? 28  LYS   B NZ   1 ? 1 
ATOM   201  H H    . LYS   A 1 16  ? 19.616 14.94   0.321   1 38.6   ? 28  LYS   B H    1 c 1 
ATOM   202  H HA   . LYS   A 1 16  ? 19.127 17.433  1.316   1 43.642 ? 28  LYS   B HA   1 c 1 
ATOM   203  H HB2  . LYS   A 1 16  ? 17.574 15.956  -0.551  1 46.4   ? 28  LYS   B HB2  1 c 1 
ATOM   204  H HB3  . LYS   A 1 16  ? 17.062 17.347  0.017   1 48.11  ? 28  LYS   B HB3  1 c 1 
ATOM   205  H HG2  . LYS   A 1 16  ? 18.786 18.475  -0.955  1 58.286 ? 28  LYS   B HG2  1 c 1 
ATOM   206  H HG3  . LYS   A 1 16  ? 19.544 17.124  -1.31   1 56.759 ? 28  LYS   B HG3  1 c 1 
ATOM   207  H HD2  . LYS   A 1 16  ? 17.435 16.719  -2.705  1 61.268 ? 28  LYS   B HD2  1 c 1 
ATOM   208  H HD3  . LYS   A 1 16  ? 17.423 18.326  -2.715  1 63.734 ? 28  LYS   B HD3  1 c 1 
ATOM   209  H HE2  . LYS   A 1 16  ? 19.701 18.247  -3.424  1 69.859 ? 28  LYS   B HE2  1 c 1 
ATOM   210  H HE3  . LYS   A 1 16  ? 19.549 16.682  -3.582  1 67.583 ? 28  LYS   B HE3  1 c 1 
ATOM   211  H HZ1  . LYS   A 1 16  ? 18.164 18.543  -5.026  1 74.865 ? 28  LYS   B HZ1  1 c 1 
ATOM   212  H HZ2  . LYS   A 1 16  ? 17.875 17.097  -5.11   1 72.627 ? 28  LYS   B HZ2  1 c 1 
ATOM   213  H HZ3  . LYS   A 1 16  ? 19.178 17.618  -5.569  1 74.025 ? 28  LYS   B HZ3  1 c 1 
ATOM   214  N N    . LYS   A 1 17  ? 17.661 15.114  2.799   1 37.832 ? 29  LYS   B N    1 ? 1 
ATOM   215  C CA   . LYS   A 1 17  ? 16.645 14.751  3.79    1 35.402 ? 29  LYS   B CA   1 ? 1 
ATOM   216  C C    . LYS   A 1 17  ? 15.224 14.999  3.216   1 37.509 ? 29  LYS   B C    1 ? 1 
ATOM   217  O O    . LYS   A 1 17  ? 14.347 15.544  3.898   1 34.399 ? 29  LYS   B O    1 ? 1 
ATOM   218  C CB   . LYS   A 1 17  ? 16.972 15.417  5.129   1 41.29  ? 29  LYS   B CB   1 ? 1 
ATOM   219  C CG   . LYS   A 1 17  ? 18.209 14.813  5.747   1 42.574 ? 29  LYS   B CG   1 ? 1 
ATOM   220  C CD   . LYS   A 1 17  ? 17.835 13.52   6.449   1 44.056 ? 29  LYS   B CD   1 ? 1 
ATOM   221  C CE   . LYS   A 1 17  ? 18.633 13.293  7.729   1 55.782 ? 29  LYS   B CE   1 ? 1 
ATOM   222  N NZ   . LYS   A 1 17  ? 19.693 12.344  7.416   1 57.007 ? 29  LYS   B NZ   1 ? 1 
ATOM   223  H H    . LYS   A 1 17  ? 18.298 14.499  2.573   1 36.819 ? 29  LYS   B H    1 c 1 
ATOM   224  H HA   . LYS   A 1 17  ? 16.728 13.778  3.941   1 36.08  ? 29  LYS   B HA   1 c 1 
ATOM   225  H HB2  . LYS   A 1 17  ? 17.12  16.377  4.996   1 41.691 ? 29  LYS   B HB2  1 c 1 
ATOM   226  H HB3  . LYS   A 1 17  ? 16.217 15.308  5.745   1 40.796 ? 29  LYS   B HB3  1 c 1 
ATOM   227  H HG2  . LYS   A 1 17  ? 18.871 14.631  5.045   1 42.303 ? 29  LYS   B HG2  1 c 1 
ATOM   228  H HG3  . LYS   A 1 17  ? 18.592 15.446  6.391   1 44.357 ? 29  LYS   B HG3  1 c 1 
ATOM   229  H HD2  . LYS   A 1 17  ? 16.879 13.534  6.67    1 45.508 ? 29  LYS   B HD2  1 c 1 
ATOM   230  H HD3  . LYS   A 1 17  ? 17.989 12.769  5.835   1 44.525 ? 29  LYS   B HD3  1 c 1 
ATOM   231  H HE2  . LYS   A 1 17  ? 19.023 14.124  8.053   1 54.752 ? 29  LYS   B HE2  1 c 1 
ATOM   232  H HE3  . LYS   A 1 17  ? 18.058 12.922  8.423   1 53.641 ? 29  LYS   B HE3  1 c 1 
ATOM   233  H HZ1  . LYS   A 1 17  ? 20.17  12.634  6.702   1 56.076 ? 29  LYS   B HZ1  1 c 1 
ATOM   234  H HZ2  . LYS   A 1 17  ? 19.336 11.532  7.228   1 55.193 ? 29  LYS   B HZ2  1 c 1 
ATOM   235  H HZ3  . LYS   A 1 17  ? 20.248 12.263  8.128   1 57.198 ? 29  LYS   B HZ3  1 c 1 
ATOM   236  N N    . ASP   A 1 18  ? 15.005 14.524  1.984   1 36.568 ? 30  ASP   B N    1 ? 1 
ATOM   237  C CA   . ASP   A 1 18  ? 13.716 14.634  1.293   1 39.665 ? 30  ASP   B CA   1 ? 1 
ATOM   238  C C    . ASP   A 1 18  ? 12.986 13.295  1.231   1 37.902 ? 30  ASP   B C    1 ? 1 
ATOM   239  O O    . ASP   A 1 18  ? 12.069 13.148  0.416   1 35.475 ? 30  ASP   B O    1 ? 1 
ATOM   240  C CB   . ASP   A 1 18  ? 13.903 15.191  -0.115  1 39.97  ? 30  ASP   B CB   1 ? 1 
ATOM   241  C CG   . ASP   A 1 18  ? 14.83  14.353  -0.999  1 40.647 ? 30  ASP   B CG   1 ? 1 
ATOM   242  O OD1  . ASP   A 1 18  ? 15.074 13.181  -0.662  1 34.719 ? 30  ASP   B OD1  1 ? 1 
ATOM   243  O OD2  . ASP   A 1 18  ? 15.342 14.889  -1.969  1 39.816 ? 30  ASP   B OD2  1 ? 1 
ATOM   244  H H    . ASP   A 1 18  ? 15.69  14.099  1.554   1 36.542 ? 30  ASP   B H    1 c 1 
ATOM   245  H HA   . ASP   A 1 18  ? 13.153 15.272  1.787   1 39.938 ? 30  ASP   B HA   1 c 1 
ATOM   246  H HB2  . ASP   A 1 18  ? 13.031 15.262  -0.557  1 40.483 ? 30  ASP   B HB2  1 c 1 
ATOM   247  H HB3  . ASP   A 1 18  ? 14.279 16.093  -0.047  1 41.406 ? 30  ASP   B HB3  1 c 1 
ATOM   248  N N    . ARG   A 1 19  ? 13.425 12.296  2.019   1 35.362 ? 31  ARG   B N    1 ? 1 
ATOM   249  C CA   . ARG   A 1 19  ? 12.821 10.953  2.05    1 36.77  ? 31  ARG   B CA   1 ? 1 
ATOM   250  C C    . ARG   A 1 19  ? 12.746 10.306  0.669   1 32.407 ? 31  ARG   B C    1 ? 1 
ATOM   251  O O    . ARG   A 1 19  ? 12.046 9.303   0.479   1 33.538 ? 31  ARG   B O    1 ? 1 
ATOM   252  C CB   . ARG   A 1 19  ? 11.451 10.926  2.719   1 36.09  ? 31  ARG   B CB   1 ? 1 
ATOM   253  C CG   . ARG   A 1 19  ? 11.491 11.509  4.129   1 40.064 ? 31  ARG   B CG   1 ? 1 
ATOM   254  C CD   . ARG   A 1 19  ? 10.164 11.375  4.896   1 44.219 ? 31  ARG   B CD   1 ? 1 
ATOM   255  N NE   . ARG   A 1 19  ? 9.391  10.16   4.592   1 41.401 ? 31  ARG   B NE   1 ? 1 
ATOM   256  C CZ   . ARG   A 1 19  ? 9.316  9.036   5.355   1 43.08  ? 31  ARG   B CZ   1 ? 1 
ATOM   257  N NH1  . ARG   A 1 19  ? 10.197 8.823   6.333   1 39.11  ? 31  ARG   B NH1  1 ? 1 
ATOM   258  N NH2  . ARG   A 1 19  ? 8.398  8.094   5.078   1 44.062 ? 31  ARG   B NH2  1 ? 1 
ATOM   259  H H    . ARG   A 1 19  ? 14.134 12.457  2.571   1 36.529 ? 31  ARG   B H    1 c 1 
ATOM   260  H HA   . ARG   A 1 19  ? 13.409 10.382  2.606   1 35.06  ? 31  ARG   B HA   1 c 1 
ATOM   261  H HB2  . ARG   A 1 19  ? 10.815 11.439  2.176   1 37.474 ? 31  ARG   B HB2  1 c 1 
ATOM   262  H HB3  . ARG   A 1 19  ? 11.133 9.999   2.764   1 36.61  ? 31  ARG   B HB3  1 c 1 
ATOM   263  H HG2  . ARG   A 1 19  ? 12.198 11.058  4.64    1 39.741 ? 31  ARG   B HG2  1 c 1 
ATOM   264  H HG3  . ARG   A 1 19  ? 11.728 12.46   4.074   1 40.671 ? 31  ARG   B HG3  1 c 1 
ATOM   265  H HD2  . ARG   A 1 19  ? 10.358 11.397  5.855   1 43.611 ? 31  ARG   B HD2  1 c 1 
ATOM   266  H HD3  . ARG   A 1 19  ? 9.614  12.158  4.692   1 43.796 ? 31  ARG   B HD3  1 c 1 
ATOM   267  H HE   . ARG   A 1 19  ? 8.935  10.157  3.85    1 42.181 ? 31  ARG   B HE   1 c 1 
ATOM   268  H HH11 . ARG   A 1 19  ? 11.056 8.979   6.193   1 39.764 ? 31  ARG   B HH11 1 c 1 
ATOM   269  H HH12 . ARG   A 1 19  ? 9.918  8.524   7.117   1 41.004 ? 31  ARG   B HH12 1 c 1 
ATOM   270  H HH21 . ARG   A 1 19  ? 7.797  8.236   4.446   1 43.923 ? 31  ARG   B HH21 1 c 1 
ATOM   271  H HH22 . ARG   A 1 19  ? 8.399  7.334   5.531   1 43.802 ? 31  ARG   B HH22 1 c 1 
ATOM   272  N N    . GLY   A 1 20  ? 13.71  10.685  -0.179  1 35.405 ? 32  GLY   B N    1 ? 1 
ATOM   273  C CA   . GLY   A 1 20  ? 13.778 10.201  -1.561  1 33.442 ? 32  GLY   B CA   1 ? 1 
ATOM   274  C C    . GLY   A 1 20  ? 14.21  8.72    -1.584  1 36.649 ? 32  GLY   B C    1 ? 1 
ATOM   275  O O    . GLY   A 1 20  ? 13.897 7.972   -2.504  1 30.093 ? 32  GLY   B O    1 ? 1 
ATOM   276  H H    . GLY   A 1 20  ? 14.366 11.249  0.114   1 34.669 ? 32  GLY   B H    1 c 1 
ATOM   277  H HA2  . GLY   A 1 20  ? 12.895 10.299  -1.987  1 34.903 ? 32  GLY   B HA2  1 c 1 
ATOM   278  H HA3  . GLY   A 1 20  ? 14.423 10.743  -2.06   1 34.801 ? 32  GLY   B HA3  1 c 1 
ATOM   279  N N    . VAL   A 1 21  ? 15.028 8.306   -0.595  1 30.036 ? 33  VAL   B N    1 ? 1 
ATOM   280  C CA   . VAL   A 1 21  ? 15.591 6.985   -0.5    1 27.76  ? 33  VAL   B CA   1 ? 1 
ATOM   281  C C    . VAL   A 1 21  ? 15.535 6.593   0.979   1 35.346 ? 33  VAL   B C    1 ? 1 
ATOM   282  O O    . VAL   A 1 21  ? 16.193 7.249   1.806   1 31.278 ? 33  VAL   B O    1 ? 1 
ATOM   283  C CB   . VAL   A 1 21  ? 17.03  6.863   -1.033  1 34.595 ? 33  VAL   B CB   1 ? 1 
ATOM   284  C CG1  . VAL   A 1 21  ? 17.514 5.404   -0.995  1 33.362 ? 33  VAL   B CG1  1 ? 1 
ATOM   285  C CG2  . VAL   A 1 21  ? 17.182 7.451   -2.448  1 33.239 ? 33  VAL   B CG2  1 ? 1 
ATOM   286  H H    . VAL   A 1 21  ? 15.243 8.906   0.059   1 31.543 ? 33  VAL   B H    1 c 1 
ATOM   287  H HA   . VAL   A 1 21  ? 15.024 6.372   -1.005  1 30.274 ? 33  VAL   B HA   1 c 1 
ATOM   288  H HB   . VAL   A 1 21  ? 17.608 7.386   -0.43   1 33.134 ? 33  VAL   B HB   1 c 1 
ATOM   289  H HG11 . VAL   A 1 21  ? 16.845 4.829   -1.404  1 33.373 ? 33  VAL   B HG11 1 c 1 
ATOM   290  H HG12 . VAL   A 1 21  ? 17.654 5.131   -0.073  1 33.788 ? 33  VAL   B HG12 1 c 1 
ATOM   291  H HG13 . VAL   A 1 21  ? 18.35  5.326   -1.485  1 33.703 ? 33  VAL   B HG13 1 c 1 
ATOM   292  H HG21 . VAL   A 1 21  ? 18.079 7.274   -2.779  1 33.742 ? 33  VAL   B HG21 1 c 1 
ATOM   293  H HG22 . VAL   A 1 21  ? 17.033 8.411   -2.419  1 34.053 ? 33  VAL   B HG22 1 c 1 
ATOM   294  H HG23 . VAL   A 1 21  ? 16.532 7.041   -3.043  1 33.4   ? 33  VAL   B HG23 1 c 1 
ATOM   295  N N    . LEU   A 1 22  ? 14.7   5.601   1.285   1 31.079 ? 34  LEU   B N    1 ? 1 
ATOM   296  C CA   . LEU   A 1 22  ? 14.495 5.113   2.652   1 32.037 ? 34  LEU   B CA   1 ? 1 
ATOM   297  C C    . LEU   A 1 22  ? 15.024 3.69    2.746   1 29.113 ? 34  LEU   B C    1 ? 1 
ATOM   298  O O    . LEU   A 1 22  ? 14.883 2.877   1.817   1 28.129 ? 34  LEU   B O    1 ? 1 
ATOM   299  C CB   . LEU   A 1 22  ? 13.007 5.133   2.957   1 27.586 ? 34  LEU   B CB   1 ? 1 
ATOM   300  C CG   . LEU   A 1 22  ? 12.361 6.521   2.895   1 32.608 ? 34  LEU   B CG   1 ? 1 
ATOM   301  C CD1  . LEU   A 1 22  ? 10.861 6.271   3.107   1 33.541 ? 34  LEU   B CD1  1 ? 1 
ATOM   302  C CD2  . LEU   A 1 22  ? 12.842 7.374   4.088   1 34.172 ? 34  LEU   B CD2  1 ? 1 
ATOM   303  H H    . LEU   A 1 22  ? 14.228 5.202   0.611   1 31.86  ? 34  LEU   B H    1 c 1 
ATOM   304  H HA   . LEU   A 1 22  ? 14.978 5.697   3.285   1 30.845 ? 34  LEU   B HA   1 c 1 
ATOM   305  H HB2  . LEU   A 1 22  ? 12.552 4.548   2.308   1 29.461 ? 34  LEU   B HB2  1 c 1 
ATOM   306  H HB3  . LEU   A 1 22  ? 12.869 4.762   3.859   1 30.171 ? 34  LEU   B HB3  1 c 1 
ATOM   307  H HG   . LEU   A 1 22  ? 12.543 6.959   2.024   1 31.513 ? 34  LEU   B HG   1 c 1 
ATOM   308  H HD11 . LEU   A 1 22  ? 10.517 5.723   2.382   1 33.201 ? 34  LEU   B HD11 1 c 1 
ATOM   309  H HD12 . LEU   A 1 22  ? 10.389 7.12    3.122   1 34.021 ? 34  LEU   B HD12 1 c 1 
ATOM   310  H HD13 . LEU   A 1 22  ? 10.724 5.81    3.952   1 33.913 ? 34  LEU   B HD13 1 c 1 
ATOM   311  H HD21 . LEU   A 1 22  ? 13.781 7.59    3.974   1 33.626 ? 34  LEU   B HD21 1 c 1 
ATOM   312  H HD22 . LEU   A 1 22  ? 12.722 6.876   4.914   1 34.319 ? 34  LEU   B HD22 1 c 1 
ATOM   313  H HD23 . LEU   A 1 22  ? 12.325 8.196   4.129   1 34.482 ? 34  LEU   B HD23 1 c 1 
ATOM   314  N N    . LYS   A 1 23  ? 15.72  3.406   3.871   1 29.573 ? 35  LYS   B N    1 ? 1 
ATOM   315  C CA   . LYS   A 1 23  ? 16.409 2.146   4.064   1 28.486 ? 35  LYS   B CA   1 ? 1 
ATOM   316  C C    . LYS   A 1 23  ? 16.087 1.423   5.362   1 26.504 ? 35  LYS   B C    1 ? 1 
ATOM   317  O O    . LYS   A 1 23  ? 15.993 2.041   6.422   1 31.275 ? 35  LYS   B O    1 ? 1 
ATOM   318  C CB   . LYS   A 1 23  ? 17.911 2.462   3.973   1 29.275 ? 35  LYS   B CB   1 ? 1 
ATOM   319  C CG   . LYS   A 1 23  ? 18.81  1.21    3.972   1 29.333 ? 35  LYS   B CG   1 ? 1 
ATOM   320  C CD   . LYS   A 1 23  ? 20.316 1.427   4.169   1 30.232 ? 35  LYS   B CD   1 ? 1 
ATOM   321  C CE   . LYS   A 1 23  ? 21.077 0.159   4.213   1 32.807 ? 35  LYS   B CE   1 ? 1 
ATOM   322  N NZ   . LYS   A 1 23  ? 22.466 0.317   4.671   1 32.749 ? 35  LYS   B NZ   1 ? 1 
ATOM   323  H H    . LYS   A 1 23  ? 15.757 4.029   4.539   1 29.773 ? 35  LYS   B H    1 c 1 
ATOM   324  H HA   . LYS   A 1 23  ? 16.178 1.55    3.311   1 27.948 ? 35  LYS   B HA   1 c 1 
ATOM   325  H HB2  . LYS   A 1 23  ? 18.08  2.969   3.151   1 28.585 ? 35  LYS   B HB2  1 c 1 
ATOM   326  H HB3  . LYS   A 1 23  ? 18.164 3.028   4.733   1 29.55  ? 35  LYS   B HB3  1 c 1 
ATOM   327  H HG2  . LYS   A 1 23  ? 18.493 0.608   4.679   1 29.947 ? 35  LYS   B HG2  1 c 1 
ATOM   328  H HG3  . LYS   A 1 23  ? 18.675 0.743   3.119   1 29.052 ? 35  LYS   B HG3  1 c 1 
ATOM   329  H HD2  . LYS   A 1 23  ? 20.658 1.979   3.433   1 30.268 ? 35  LYS   B HD2  1 c 1 
ATOM   330  H HD3  . LYS   A 1 23  ? 20.461 1.916   5.008   1 31.159 ? 35  LYS   B HD3  1 c 1 
ATOM   331  H HE2  . LYS   A 1 23  ? 20.622 -0.463  4.809   1 32.417 ? 35  LYS   B HE2  1 c 1 
ATOM   332  H HE3  . LYS   A 1 23  ? 21.085 -0.236  3.323   1 31.677 ? 35  LYS   B HE3  1 c 1 
ATOM   333  H HZ1  . LYS   A 1 23  ? 22.475 0.632   5.52    1 33.624 ? 35  LYS   B HZ1  1 c 1 
ATOM   334  H HZ2  . LYS   A 1 23  ? 22.901 0.901   4.132   1 32.94  ? 35  LYS   B HZ2  1 c 1 
ATOM   335  H HZ3  . LYS   A 1 23  ? 22.889 -0.483  4.645   1 33.602 ? 35  LYS   B HZ3  1 c 1 
ATOM   336  N N    . ILE   A 1 24  ? 15.902 0.092   5.254   1 29.812 ? 36  ILE   B N    1 ? 1 
ATOM   337  C CA   . ILE   A 1 24  ? 15.987 -0.81   6.411   1 32.708 ? 36  ILE   B CA   1 ? 1 
ATOM   338  C C    . ILE   A 1 24  ? 17.026 -1.884  6.129   1 33.749 ? 36  ILE   B C    1 ? 1 
ATOM   339  O O    . ILE   A 1 24  ? 17.051 -2.57   5.094   1 33.606 ? 36  ILE   B O    1 ? 1 
ATOM   340  C CB   . ILE   A 1 24  ? 14.647 -1.444  6.822   1 32.209 ? 36  ILE   B CB   1 ? 1 
ATOM   341  C CG1  . ILE   A 1 24  ? 13.562 -0.407  6.987   1 34.853 ? 36  ILE   B CG1  1 ? 1 
ATOM   342  C CG2  . ILE   A 1 24  ? 14.803 -2.183  8.163   1 36.879 ? 36  ILE   B CG2  1 ? 1 
ATOM   343  C CD1  . ILE   A 1 24  ? 12.163 -0.976  7.175   1 34.787 ? 36  ILE   B CD1  1 ? 1 
ATOM   344  H H    . ILE   A 1 24  ? 15.712 -0.267  4.435   1 28.981 ? 36  ILE   B H    1 c 1 
ATOM   345  H HA   . ILE   A 1 24  ? 16.303 -0.284  7.17    1 32.766 ? 36  ILE   B HA   1 c 1 
ATOM   346  H HB   . ILE   A 1 24  ? 14.373 -2.083  6.134   1 33.32  ? 36  ILE   B HB   1 c 1 
ATOM   347  H HG12 . ILE   A 1 24  ? 13.779 0.151   7.762   1 34.399 ? 36  ILE   B HG12 1 c 1 
ATOM   348  H HG13 . ILE   A 1 24  ? 13.558 0.171   6.197   1 33.074 ? 36  ILE   B HG13 1 c 1 
ATOM   349  H HG21 . ILE   A 1 24  ? 13.963 -2.608  8.404   1 36.63  ? 36  ILE   B HG21 1 c 1 
ATOM   350  H HG22 . ILE   A 1 24  ? 15.054 -1.55   8.857   1 36.227 ? 36  ILE   B HG22 1 c 1 
ATOM   351  H HG23 . ILE   A 1 24  ? 15.491 -2.863  8.084   1 36.088 ? 36  ILE   B HG23 1 c 1 
ATOM   352  H HD11 . ILE   A 1 24  ? 11.919 -1.506  6.393   1 34.829 ? 36  ILE   B HD11 1 c 1 
ATOM   353  H HD12 . ILE   A 1 24  ? 11.529 -0.243  7.279   1 35.238 ? 36  ILE   B HD12 1 c 1 
ATOM   354  H HD13 . ILE   A 1 24  ? 12.133 -1.541  7.97    1 36.128 ? 36  ILE   B HD13 1 c 1 
ATOM   355  N N    . VAL   A 1 25  ? 17.873 -2.083  7.141   1 35.67  ? 37  VAL   B N    1 ? 1 
ATOM   356  C CA   . VAL   A 1 25  ? 18.797 -3.211  7.158   1 35.321 ? 37  VAL   B CA   1 ? 1 
ATOM   357  C C    . VAL   A 1 25  ? 18.012 -4.445  7.588   1 35.136 ? 37  VAL   B C    1 ? 1 
ATOM   358  O O    . VAL   A 1 25  ? 17.389 -4.453  8.616   1 33.292 ? 37  VAL   B O    1 ? 1 
ATOM   359  C CB   . VAL   A 1 25  ? 19.983 -2.91   8.092   1 37.746 ? 37  VAL   B CB   1 ? 1 
ATOM   360  C CG1  . VAL   A 1 25  ? 20.875 -4.138  8.339   1 39.947 ? 37  VAL   B CG1  1 ? 1 
ATOM   361  C CG2  . VAL   A 1 25  ? 20.812 -1.757  7.583   1 40.445 ? 37  VAL   B CG2  1 ? 1 
ATOM   362  H H    . VAL   A 1 25  ? 17.879 -1.5    7.845   1 35.531 ? 37  VAL   B H    1 c 1 
ATOM   363  H HA   . VAL   A 1 25  ? 19.139 -3.351  6.254   1 34.933 ? 37  VAL   B HA   1 c 1 
ATOM   364  H HB   . VAL   A 1 25  ? 19.604 -2.641  8.962   1 38.819 ? 37  VAL   B HB   1 c 1 
ATOM   365  H HG11 . VAL   A 1 25  ? 21.06  -4.58   7.493   1 39.304 ? 37  VAL   B HG11 1 c 1 
ATOM   366  H HG12 . VAL   A 1 25  ? 20.42  -4.757  8.934   1 40.541 ? 37  VAL   B HG12 1 c 1 
ATOM   367  H HG13 . VAL   A 1 25  ? 21.711 -3.857  8.747   1 40.349 ? 37  VAL   B HG13 1 c 1 
ATOM   368  H HG21 . VAL   A 1 25  ? 21.562 -1.605  8.183   1 40.232 ? 37  VAL   B HG21 1 c 1 
ATOM   369  H HG22 . VAL   A 1 25  ? 20.265 -0.955  7.542   1 38.755 ? 37  VAL   B HG22 1 c 1 
ATOM   370  H HG23 . VAL   A 1 25  ? 21.147 -1.965  6.694   1 38.85  ? 37  VAL   B HG23 1 c 1 
ATOM   371  N N    . LYS   A 1 26  ? 17.975 -5.481  6.762   1 33.797 ? 38  LYS   B N    1 ? 1 
ATOM   372  C CA   . LYS   A 1 26  ? 17.235 -6.711  7.073   1 38.591 ? 38  LYS   B CA   1 ? 1 
ATOM   373  C C    . LYS   A 1 26  ? 18.122 -7.834  7.561   1 39.564 ? 38  LYS   B C    1 ? 1 
ATOM   374  O O    . LYS   A 1 26  ? 17.662 -8.742  8.275   1 40.541 ? 38  LYS   B O    1 ? 1 
ATOM   375  C CB   . LYS   A 1 26  ? 16.539 -7.195  5.796   1 41.466 ? 38  LYS   B CB   1 ? 1 
ATOM   376  C CG   . LYS   A 1 26  ? 15.427 -6.215  5.449   1 41.905 ? 38  LYS   B CG   1 ? 1 
ATOM   377  C CD   . LYS   A 1 26  ? 14.444 -5.777  6.534   1 48.053 ? 38  LYS   B CD   1 ? 1 
ATOM   378  C CE   . LYS   A 1 26  ? 13.439 -6.716  6.909   1 49.838 ? 38  LYS   B CE   1 ? 1 
ATOM   379  N NZ   . LYS   A 1 26  ? 12.605 -6.07   7.923   1 58.775 ? 38  LYS   B NZ   1 ? 1 
ATOM   380  H H    . LYS   A 1 26  ? 18.421 -5.429  5.966   1 34.351 ? 38  LYS   B H    1 c 1 
ATOM   381  H HA   . LYS   A 1 26  ? 16.564 -6.516  7.771   1 38.856 ? 38  LYS   B HA   1 c 1 
ATOM   382  H HB2  . LYS   A 1 26  ? 17.181 -7.24   5.056   1 40.437 ? 38  LYS   B HB2  1 c 1 
ATOM   383  H HB3  . LYS   A 1 26  ? 16.156 -8.087  5.937   1 42.077 ? 38  LYS   B HB3  1 c 1 
ATOM   384  H HG2  . LYS   A 1 26  ? 15.85  -5.408  5.084   1 41.576 ? 38  LYS   B HG2  1 c 1 
ATOM   385  H HG3  . LYS   A 1 26  ? 14.908 -6.61   4.716   1 42.644 ? 38  LYS   B HG3  1 c 1 
ATOM   386  H HD2  . LYS   A 1 26  ? 14.95  -5.522  7.334   1 47.048 ? 38  LYS   B HD2  1 c 1 
ATOM   387  H HD3  . LYS   A 1 26  ? 14     -4.961  6.217   1 46.026 ? 38  LYS   B HD3  1 c 1 
ATOM   388  H HE2  . LYS   A 1 26  ? 12.893 -6.958  6.14    1 51.44  ? 38  LYS   B HE2  1 c 1 
ATOM   389  H HE3  . LYS   A 1 26  ? 13.844 -7.52   7.28    1 52.571 ? 38  LYS   B HE3  1 c 1 
ATOM   390  H HZ1  . LYS   A 1 26  ? 12.205 -5.334  7.577   1 55.126 ? 38  LYS   B HZ1  1 c 1 
ATOM   391  H HZ2  . LYS   A 1 26  ? 13.108 -5.829  8.637   1 56.134 ? 38  LYS   B HZ2  1 c 1 
ATOM   392  H HZ3  . LYS   A 1 26  ? 11.965 -6.648  8.198   1 57.178 ? 38  LYS   B HZ3  1 c 1 
ATOM   393  N N    . ARG   A 1 27  ? 19.349 -7.887  7.041   1 37.356 ? 39  ARG   B N    1 ? 1 
ATOM   394  C CA   . ARG   A 1 27  ? 20.359 -8.78   7.59    1 38.697 ? 39  ARG   B CA   1 ? 1 
ATOM   395  C C    . ARG   A 1 27  ? 21.654 -7.986  7.715   1 43.993 ? 39  ARG   B C    1 ? 1 
ATOM   396  O O    . ARG   A 1 27  ? 22.098 -7.406  6.732   1 44.145 ? 39  ARG   B O    1 ? 1 
ATOM   397  C CB   . ARG   A 1 27  ? 20.58  -10.016 6.709   1 41.92  ? 39  ARG   B CB   1 ? 1 
ATOM   398  C CG   . ARG   A 1 27  ? 21.593 -10.963 7.36    1 46.083 ? 39  ARG   B CG   1 ? 1 
ATOM   399  C CD   . ARG   A 1 27  ? 21.828 -12.258 6.543   1 46.094 ? 39  ARG   B CD   1 ? 1 
ATOM   400  N NE   . ARG   A 1 27  ? 22.65  -11.864 5.39    1 42.125 ? 39  ARG   B NE   1 ? 1 
ATOM   401  C CZ   . ARG   A 1 27  ? 22.719 -12.54  4.242   1 42.284 ? 39  ARG   B CZ   1 ? 1 
ATOM   402  N NH1  . ARG   A 1 27  ? 23.413 -12.081 3.202   1 40.388 ? 39  ARG   B NH1  1 ? 1 
ATOM   403  N NH2  . ARG   A 1 27  ? 22.041 -13.661 4.102   1 43     ? 39  ARG   B NH2  1 ? 1 
ATOM   404  H H    . ARG   A 1 27  ? 19.563 -7.368  6.32    1 36.667 ? 39  ARG   B H    1 c 1 
ATOM   405  H HA   . ARG   A 1 27  ? 20.072 -9.07   8.493   1 41.28  ? 39  ARG   B HA   1 c 1 
ATOM   406  H HB2  . ARG   A 1 27  ? 19.729 -10.486 6.581   1 42.026 ? 39  ARG   B HB2  1 c 1 
ATOM   407  H HB3  . ARG   A 1 27  ? 20.913 -9.738  5.829   1 40.851 ? 39  ARG   B HB3  1 c 1 
ATOM   408  H HG2  . ARG   A 1 27  ? 22.45  -10.498 7.47    1 45.219 ? 39  ARG   B HG2  1 c 1 
ATOM   409  H HG3  . ARG   A 1 27  ? 21.272 -11.208 8.256   1 46.356 ? 39  ARG   B HG3  1 c 1 
ATOM   410  H HD2  . ARG   A 1 27  ? 22.301 -12.929 7.076   1 47.303 ? 39  ARG   B HD2  1 c 1 
ATOM   411  H HD3  . ARG   A 1 27  ? 20.977 -12.633 6.235   1 45.553 ? 39  ARG   B HD3  1 c 1 
ATOM   412  H HE   . ARG   A 1 27  ? 23.132 -11.141 5.455   1 42.089 ? 39  ARG   B HE   1 c 1 
ATOM   413  H HH11 . ARG   A 1 27  ? 23.404 -11.217 3.015   1 39.393 ? 39  ARG   B HH11 1 c 1 
ATOM   414  H HH12 . ARG   A 1 27  ? 23.88  -12.643 2.704   1 41.636 ? 39  ARG   B HH12 1 c 1 
ATOM   415  H HH21 . ARG   A 1 27  ? 22.144 -14.314 4.689   1 44.698 ? 39  ARG   B HH21 1 c 1 
ATOM   416  H HH22 . ARG   A 1 27  ? 21.49  -13.759 3.418   1 42.729 ? 39  ARG   B HH22 1 c 1 
ATOM   417  N N    . VAL   A 1 28  ? 22.29  -8.029  8.899   1 44.053 ? 40  VAL   B N    1 ? 1 
ATOM   418  C CA   . VAL   A 1 28  ? 23.562 -7.334  9.126   1 47.09  ? 40  VAL   B CA   1 ? 1 
ATOM   419  C C    . VAL   A 1 28  ? 24.702 -8.054  8.385   1 50.544 ? 40  VAL   B C    1 ? 1 
ATOM   420  O O    . VAL   A 1 28  ? 24.815 -9.292  8.493   1 48.376 ? 40  VAL   B O    1 ? 1 
ATOM   421  C CB   . VAL   A 1 28  ? 23.845 -7.099  10.64   1 48.577 ? 40  VAL   B CB   1 ? 1 
ATOM   422  C CG1  . VAL   A 1 28  ? 25.255 -6.631  10.958  1 56.973 ? 40  VAL   B CG1  1 ? 1 
ATOM   423  C CG2  . VAL   A 1 28  ? 22.893 -6.046  11.198  1 50.248 ? 40  VAL   B CG2  1 ? 1 
ATOM   424  H H    . VAL   A 1 28  ? 21.923 -8.506  9.588   1 45.977 ? 40  VAL   B H    1 c 1 
ATOM   425  H HA   . VAL   A 1 28  ? 23.472 -6.451  8.719   1 45.675 ? 40  VAL   B HA   1 c 1 
ATOM   426  H HB   . VAL   A 1 28  ? 23.682 -7.951  11.109  1 51.591 ? 40  VAL   B HB   1 c 1 
ATOM   427  H HG11 . VAL   A 1 28  ? 25.499 -5.904  10.361  1 53.525 ? 40  VAL   B HG11 1 c 1 
ATOM   428  H HG12 . VAL   A 1 28  ? 25.877 -7.369  10.84   1 55.713 ? 40  VAL   B HG12 1 c 1 
ATOM   429  H HG13 . VAL   A 1 28  ? 25.296 -6.321  11.878  1 55.498 ? 40  VAL   B HG13 1 c 1 
ATOM   430  H HG21 . VAL   A 1 28  ? 23.046 -5.941  12.152  1 50.705 ? 40  VAL   B HG21 1 c 1 
ATOM   431  H HG22 . VAL   A 1 28  ? 21.974 -6.327  11.048  1 48.977 ? 40  VAL   B HG22 1 c 1 
ATOM   432  H HG23 . VAL   A 1 28  ? 23.048 -5.198  10.75   1 48.339 ? 40  VAL   B HG23 1 c 1 
ATOM   433  N N    . GLY   A 1 29  ? 25.561 -7.241  7.713   1 46.985 ? 41  GLY   B N    1 ? 1 
ATOM   434  C CA   . GLY   A 1 29  ? 26.78  -7.64   7.024   1 48.708 ? 41  GLY   B CA   1 ? 1 
ATOM   435  C C    . GLY   A 1 29  ? 28.015 -7.585  7.943   1 58.021 ? 41  GLY   B C    1 ? 1 
ATOM   436  O O    . GLY   A 1 29  ? 27.877 -7.342  9.138   1 52.121 ? 41  GLY   B O    1 ? 1 
ATOM   437  H H    . GLY   A 1 29  ? 25.351 -6.352  7.692   1 46.78  ? 41  GLY   B H    1 c 1 
ATOM   438  H HA2  . GLY   A 1 29  ? 26.669 -8.557  6.68    1 50.477 ? 41  GLY   B HA2  1 c 1 
ATOM   439  H HA3  . GLY   A 1 29  ? 26.92  -7.043  6.252   1 48.879 ? 41  GLY   B HA3  1 c 1 
ATOM   440  N N    . ASN   A 1 30  ? 29.228 -7.786  7.391   1 58.35  ? 42  ASN   B N    1 ? 1 
ATOM   441  C CA   . ASN   A 1 30  ? 30.466 -7.901  8.183   1 67.989 ? 42  ASN   B CA   1 ? 1 
ATOM   442  C C    . ASN   A 1 30  ? 31.478 -6.855  7.711   1 70.336 ? 42  ASN   B C    1 ? 1 
ATOM   443  O O    . ASN   A 1 30  ? 31.513 -6.535  6.536   1 68.31  ? 42  ASN   B O    1 ? 1 
ATOM   444  C CB   . ASN   A 1 30  ? 31.142 -9.263  8.056   1 61.599 ? 42  ASN   B CB   1 ? 1 
ATOM   445  H H    . ASN   A 1 30  ? 29.288 -7.854  6.482   1 59.342 ? 42  ASN   B H    1 c 1 
ATOM   446  H HA   . ASN   A 1 30  ? 30.259 -7.749  9.133   1 65.595 ? 42  ASN   B HA   1 c 1 
ATOM   447  H HB2  . ASN   A 1 30  ? 32.092 -9.056  8.203   0 30     ? 42  ASN   B HB2  1 c 1 
ATOM   448  H HB3  . ASN   A 1 30  ? 30.422 -9.845  8.212   0 30     ? 42  ASN   B HB3  1 c 1 
ATOM   449  N N    . GLY   A 1 31  ? 32.299 -6.314  8.606   1 67.618 ? 43  GLY   B N    1 ? 1 
ATOM   450  C CA   . GLY   A 1 31  ? 33.348 -5.395  8.183   1 74.228 ? 43  GLY   B CA   1 ? 1 
ATOM   451  C C    . GLY   A 1 31  ? 32.997 -3.927  8.435   1 74.129 ? 43  GLY   B C    1 ? 1 
ATOM   452  O O    . GLY   A 1 31  ? 31.834 -3.606  8.716   1 71.288 ? 43  GLY   B O    1 ? 1 
ATOM   453  H H    . GLY   A 1 31  ? 32.212 -6.516  9.492   1 70.815 ? 43  GLY   B H    1 c 1 
ATOM   454  H HA2  . GLY   A 1 31  ? 34.176 -5.617  8.67    1 75.206 ? 43  GLY   B HA2  1 c 1 
ATOM   455  H HA3  . GLY   A 1 31  ? 33.524 -5.526  7.222   1 72.555 ? 43  GLY   B HA3  1 c 1 
ATOM   456  N N    . GLU   A 1 32  ? 34.056 -3.082  8.328   1 74.669 ? 44  GLU   B N    1 ? 1 
ATOM   457  C CA   . GLU   A 1 32  ? 34.041 -1.627  8.513   1 69.236 ? 44  GLU   B CA   1 ? 1 
ATOM   458  C C    . GLU   A 1 32  ? 33.923 -0.917  7.148   1 63.071 ? 44  GLU   B C    1 ? 1 
ATOM   459  O O    . GLU   A 1 32  ? 33.351 0.155   7.078   1 62.755 ? 44  GLU   B O    1 ? 1 
ATOM   460  C CB   . GLU   A 1 32  ? 35.257 -1.138  9.327   1 66.945 ? 44  GLU   B CB   1 ? 1 
ATOM   461  H H    . GLU   A 1 32  ? 34.861 -3.463  8.122   1 75.112 ? 44  GLU   B H    1 c 1 
ATOM   462  H HA   . GLU   A 1 32  ? 33.233 -1.401  9.039   1 67.207 ? 44  GLU   B HA   1 c 1 
ATOM   463  H HB2  . GLU   A 1 32  ? 35.814 -1.194  9.003   0 30     ? 44  GLU   B HB2  1 c 1 
ATOM   464  H HB3  . GLU   A 1 32  ? 34.576 -0.472  10.184  0 30     ? 44  GLU   B HB3  1 c 1 
ATOM   465  N N    . GLU   A 1 33  ? 34.423 -1.524  6.056   1 61.669 ? 45  GLU   B N    1 ? 1 
ATOM   466  C CA   . GLU   A 1 33  ? 34.397 -0.891  4.749   1 61.63  ? 45  GLU   B CA   1 ? 1 
ATOM   467  C C    . GLU   A 1 33  ? 32.965 -0.938  4.195   1 52.821 ? 45  GLU   B C    1 ? 1 
ATOM   468  O O    . GLU   A 1 33  ? 32.289 -1.952  4.254   1 48.478 ? 45  GLU   B O    1 ? 1 
ATOM   469  C CB   . GLU   A 1 33  ? 35.419 -1.526  3.797   1 63.014 ? 45  GLU   B CB   1 ? 1 
ATOM   470  H H    . GLU   A 1 33  ? 34.793 -2.356  6.135   1 63.56  ? 45  GLU   B H    1 c 1 
ATOM   471  H HA   . GLU   A 1 33  ? 34.653 0.059   4.867   1 60.682 ? 45  GLU   B HA   1 c 1 
ATOM   472  H HB2  . GLU   A 1 33  ? 36.239 -1.352  4.276   0 30     ? 45  GLU   B HB2  1 c 1 
ATOM   473  H HB3  . GLU   A 1 33  ? 34.866 -2.197  3.354   0 30     ? 45  GLU   B HB3  1 c 1 
ATOM   474  N N    . THR   A 1 34  ? 32.51  0.196   3.654   1 56.036 ? 46  THR   B N    1 ? 1 
ATOM   475  C CA   . THR   A 1 34  ? 31.434 0.259   2.68    1 48.892 ? 46  THR   B CA   1 ? 1 
ATOM   476  C C    . THR   A 1 34  ? 32.03  0.599   1.314   1 58.024 ? 46  THR   B C    1 ? 1 
ATOM   477  O O    . THR   A 1 34  ? 33.103 1.194   1.207   1 62.459 ? 46  THR   B O    1 ? 1 
ATOM   478  C CB   . THR   A 1 34  ? 30.438 1.354   3.038   1 45.082 ? 46  THR   B CB   1 ? 1 
ATOM   479  O OG1  . THR   A 1 34  ? 31.205 2.541   3.161   1 42.124 ? 46  THR   B OG1  1 ? 1 
ATOM   480  C CG2  . THR   A 1 34  ? 29.758 1.113   4.37    1 41.966 ? 46  THR   B CG2  1 ? 1 
ATOM   481  H H    . THR   A 1 34  ? 32.895 0.983   3.915   1 54.592 ? 46  THR   B H    1 c 1 
ATOM   482  H HA   . THR   A 1 34  ? 30.975 -0.607  2.641   1 50.137 ? 46  THR   B HA   1 c 1 
ATOM   483  H HB   . THR   A 1 34  ? 29.767 1.456   2.323   1 42.711 ? 46  THR   B HB   1 c 1 
ATOM   484  H HG1  . THR   A 1 34  ? 31.956 2.498   3.875   0 30     ? 46  THR   B HG1  1 c 1 
ATOM   485  H HG21 . THR   A 1 34  ? 29.151 1.848   4.563   1 41.981 ? 46  THR   B HG21 1 c 1 
ATOM   486  H HG22 . THR   A 1 34  ? 30.427 1.055   5.072   1 44.315 ? 46  THR   B HG22 1 c 1 
ATOM   487  H HG23 . THR   A 1 34  ? 29.256 0.281   4.333   1 42.124 ? 46  THR   B HG23 1 c 1 
ATOM   488  N N    . PRO   A 1 35  ? 31.353 0.301   0.199   1 54.146 ? 47  PRO   B N    1 ? 1 
ATOM   489  C CA   . PRO   A 1 35  ? 31.946 0.592   -1.093  1 54.7   ? 47  PRO   B CA   1 ? 1 
ATOM   490  C C    . PRO   A 1 35  ? 32.088 2.093   -1.297  1 65.669 ? 47  PRO   B C    1 ? 1 
ATOM   491  O O    . PRO   A 1 35  ? 31.24  2.875   -0.813  1 59.819 ? 47  PRO   B O    1 ? 1 
ATOM   492  C CB   . PRO   A 1 35  ? 30.941 0.014   -2.099  1 48.428 ? 47  PRO   B CB   1 ? 1 
ATOM   493  C CG   . PRO   A 1 35  ? 29.978 -0.828  -1.325  1 46.173 ? 47  PRO   B CG   1 ? 1 
ATOM   494  C CD   . PRO   A 1 35  ? 29.999 -0.25   0.091   1 50.558 ? 47  PRO   B CD   1 ? 1 
ATOM   495  H HA   . PRO   A 1 35  ? 32.822 0.139   -1.181  1 57.191 ? 47  PRO   B HA   1 c 1 
ATOM   496  H HB2  . PRO   A 1 35  ? 30.467 0.734   -2.564  1 48.438 ? 47  PRO   B HB2  1 c 1 
ATOM   497  H HB3  . PRO   A 1 35  ? 31.406 -0.531  -2.777  1 50.048 ? 47  PRO   B HB3  1 c 1 
ATOM   498  H HG2  . PRO   A 1 35  ? 29.079 -0.771  -1.709  1 45.933 ? 47  PRO   B HG2  1 c 1 
ATOM   499  H HG3  . PRO   A 1 35  ? 30.26  -1.766  -1.321  1 48.036 ? 47  PRO   B HG3  1 c 1 
ATOM   500  H HD2  . PRO   A 1 35  ? 29.319 0.452   0.198   1 48.707 ? 47  PRO   B HD2  1 c 1 
ATOM   501  H HD3  . PRO   A 1 35  ? 29.847 -0.954  0.757   1 49.875 ? 47  PRO   B HD3  1 c 1 
ATOM   502  N N    . MET   A 1 36  ? 33.113 2.482   -2.077  1 63.248 ? 48  MET   B N    1 ? 1 
ATOM   503  C CA   . MET   A 1 36  ? 33.166 3.875   -2.477  1 60.824 ? 48  MET   B CA   1 ? 1 
ATOM   504  C C    . MET   A 1 36  ? 33.119 4.057   -3.975  1 53.446 ? 48  MET   B C    1 ? 1 
ATOM   505  O O    . MET   A 1 36  ? 33.162 3.102   -4.735  1 58.137 ? 48  MET   B O    1 ? 1 
ATOM   506  C CB   . MET   A 1 36  ? 34.386 4.527   -1.868  1 63.946 ? 48  MET   B CB   1 ? 1 
ATOM   507  C CG   . MET   A 1 36  ? 34.128 4.794   -0.429  1 66.254 ? 48  MET   B CG   1 ? 1 
ATOM   508  S SD   . MET   A 1 36  ? 35.658 5.44    0.243   1 61.019 ? 48  MET   B SD   1 ? 1 
ATOM   509  C CE   . MET   A 1 36  ? 36.568 3.913   -0.015  1 65.288 ? 48  MET   B CE   1 ? 1 
ATOM   510  H H    . MET   A 1 36  ? 33.763 1.898   -2.345  1 64.606 ? 48  MET   B H    1 c 1 
ATOM   511  H HA   . MET   A 1 36  ? 32.361 4.322   -2.112  1 58.593 ? 48  MET   B HA   1 c 1 
ATOM   512  H HB2  . MET   A 1 36  ? 35.155 3.93    -1.97   1 65.689 ? 48  MET   B HB2  1 c 1 
ATOM   513  H HB3  . MET   A 1 36  ? 34.581 5.369   -2.331  1 64.884 ? 48  MET   B HB3  1 c 1 
ATOM   514  H HG2  . MET   A 1 36  ? 33.413 5.453   -0.325  1 62.614 ? 48  MET   B HG2  1 c 1 
ATOM   515  H HG3  . MET   A 1 36  ? 33.877 3.971   0.036   1 63.169 ? 48  MET   B HG3  1 c 1 
ATOM   516  H HE1  . MET   A 1 36  ? 37.197 3.79    0.719   1 66.254 ? 48  MET   B HE1  1 c 1 
ATOM   517  H HE2  . MET   A 1 36  ? 35.951 3.159   -0.033  1 63.139 ? 48  MET   B HE2  1 c 1 
ATOM   518  H HE3  . MET   A 1 36  ? 37.057 3.963   -0.857  1 65.628 ? 48  MET   B HE3  1 c 1 
ATOM   519  N N    . ILE   A 1 37  ? 33.032 5.318   -4.388  1 54.33  ? 49  ILE   B N    1 ? 1 
ATOM   520  C CA   . ILE   A 1 37  ? 32.776 5.588   -5.778  1 54.747 ? 49  ILE   B CA   1 ? 1 
ATOM   521  C C    . ILE   A 1 37  ? 33.923 5.027   -6.607  1 57.441 ? 49  ILE   B C    1 ? 1 
ATOM   522  O O    . ILE   A 1 37  ? 35.074 5.248   -6.266  1 63.412 ? 49  ILE   B O    1 ? 1 
ATOM   523  C CB   . ILE   A 1 37  ? 32.62  7.099   -5.945  1 61.091 ? 49  ILE   B CB   1 ? 1 
ATOM   524  C CG1  . ILE   A 1 37  ? 31.524 7.595   -4.969  1 55.883 ? 49  ILE   B CG1  1 ? 1 
ATOM   525  C CG2  . ILE   A 1 37  ? 32.473 7.463   -7.435  1 55.642 ? 49  ILE   B CG2  1 ? 1 
ATOM   526  C CD1  . ILE   A 1 37  ? 30.998 8.983   -5.247  1 56.598 ? 49  ILE   B CD1  1 ? 1 
ATOM   527  H H    . ILE   A 1 37  ? 33.15  6.01    -3.803  1 54.996 ? 49  ILE   B H    1 c 1 
ATOM   528  H HA   . ILE   A 1 37  ? 31.943 5.15    -6.039  1 54.03  ? 49  ILE   B HA   1 c 1 
ATOM   529  H HB   . ILE   A 1 37  ? 33.459 7.499   -5.642  1 59.932 ? 49  ILE   B HB   1 c 1 
ATOM   530  H HG12 . ILE   A 1 37  ? 30.774 6.967   -4.998  1 55.071 ? 49  ILE   B HG12 1 c 1 
ATOM   531  H HG13 . ILE   A 1 37  ? 31.886 7.582   -4.059  1 57.189 ? 49  ILE   B HG13 1 c 1 
ATOM   532  H HG21 . ILE   A 1 37  ? 32.281 8.411   -7.523  1 57.527 ? 49  ILE   B HG21 1 c 1 
ATOM   533  H HG22 . ILE   A 1 37  ? 31.745 6.95    -7.825  1 55.811 ? 49  ILE   B HG22 1 c 1 
ATOM   534  H HG23 . ILE   A 1 37  ? 33.298 7.259   -7.905  1 58.931 ? 49  ILE   B HG23 1 c 1 
ATOM   535  H HD11 . ILE   A 1 37  ? 31.739 9.617   -5.276  1 58.172 ? 49  ILE   B HD11 1 c 1 
ATOM   536  H HD12 . ILE   A 1 37  ? 30.382 9.238   -4.535  1 55.392 ? 49  ILE   B HD12 1 c 1 
ATOM   537  H HD13 . ILE   A 1 37  ? 30.527 8.994   -6.101  1 55.779 ? 49  ILE   B HD13 1 c 1 
ATOM   538  N N    . GLY   A 1 38  ? 33.595 4.321   -7.687  1 50.684 ? 50  GLY   B N    1 ? 1 
ATOM   539  C CA   . GLY   A 1 38  ? 34.566 3.636   -8.52   1 53.046 ? 50  GLY   B CA   1 ? 1 
ATOM   540  C C    . GLY   A 1 38  ? 34.619 2.126   -8.296  1 55.265 ? 50  GLY   B C    1 ? 1 
ATOM   541  O O    . GLY   A 1 38  ? 35.111 1.408   -9.181  1 59.074 ? 50  GLY   B O    1 ? 1 
ATOM   542  H H    . GLY   A 1 38  ? 32.713 4.266   -7.92   1 50.566 ? 50  GLY   B H    1 c 1 
ATOM   543  H HA2  . GLY   A 1 38  ? 34.346 3.811   -9.465  1 53.641 ? 50  GLY   B HA2  1 c 1 
ATOM   544  H HA3  . GLY   A 1 38  ? 35.459 4.018   -8.35   1 55.513 ? 50  GLY   B HA3  1 c 1 
ATOM   545  N N    . ASP   A 1 39  ? 34.194 1.632   -7.116  1 51.778 ? 51  ASP   B N    1 ? 1 
ATOM   546  C CA   . ASP   A 1 39  ? 34.309 0.209   -6.834  1 50.581 ? 51  ASP   B CA   1 ? 1 
ATOM   547  C C    . ASP   A 1 39  ? 33.411 -0.609  -7.767  1 55.316 ? 51  ASP   B C    1 ? 1 
ATOM   548  O O    . ASP   A 1 39  ? 32.317 -0.179  -8.114  1 58.774 ? 51  ASP   B O    1 ? 1 
ATOM   549  C CB   . ASP   A 1 39  ? 33.929 -0.1    -5.392  1 53.056 ? 51  ASP   B CB   1 ? 1 
ATOM   550  C CG   . ASP   A 1 39  ? 34.926 0.342   -4.323  1 53.829 ? 51  ASP   B CG   1 ? 1 
ATOM   551  O OD1  . ASP   A 1 39  ? 36.045 0.765   -4.688  1 56.973 ? 51  ASP   B OD1  1 ? 1 
ATOM   552  O OD2  . ASP   A 1 39  ? 34.622 0.243   -3.12   1 56.09  ? 51  ASP   B OD2  1 ? 1 
ATOM   553  H H    . ASP   A 1 39  ? 33.832 2.185   -6.485  1 51.042 ? 51  ASP   B H    1 c 1 
ATOM   554  H HA   . ASP   A 1 39  ? 35.244 -0.061  -6.977  1 54.566 ? 51  ASP   B HA   1 c 1 
ATOM   555  H HB2  . ASP   A 1 39  ? 33.069 0.33    -5.199  1 50.201 ? 51  ASP   B HB2  1 c 1 
ATOM   556  H HB3  . ASP   A 1 39  ? 33.804 -1.068  -5.301  1 51.931 ? 51  ASP   B HB3  1 c 1 
ATOM   557  N N    . LYS   A 1 40  ? 33.872 -1.795  -8.177  1 52.539 ? 52  LYS   B N    1 ? 1 
ATOM   558  C CA   . LYS   A 1 40  ? 33.046 -2.751  -8.875  1 51.846 ? 52  LYS   B CA   1 ? 1 
ATOM   559  C C    . LYS   A 1 40  ? 32.252 -3.5    -7.808  1 52.986 ? 52  LYS   B C    1 ? 1 
ATOM   560  O O    . LYS   A 1 40  ? 32.836 -4.028  -6.87   1 58.638 ? 52  LYS   B O    1 ? 1 
ATOM   561  C CB   . LYS   A 1 40  ? 33.952 -3.633  -9.74   1 59.538 ? 52  LYS   B CB   1 ? 1 
ATOM   562  C CG   . LYS   A 1 40  ? 33.246 -4.644  -10.591 1 61.217 ? 52  LYS   B CG   1 ? 1 
ATOM   563  C CD   . LYS   A 1 40  ? 34.211 -5.344  -11.55  1 66.373 ? 52  LYS   B CD   1 ? 1 
ATOM   564  C CE   . LYS   A 1 40  ? 33.622 -6.646  -12.045 1 68.392 ? 52  LYS   B CE   1 ? 1 
ATOM   565  N NZ   . LYS   A 1 40  ? 34.631 -7.628  -12.472 1 74.555 ? 52  LYS   B NZ   1 ? 1 
ATOM   566  H H    . LYS   A 1 40  ? 34.744 -2.013  -8.009  1 55.276 ? 52  LYS   B H    1 c 1 
ATOM   567  H HA   . LYS   A 1 40  ? 32.417 -2.259  -9.463  1 52.202 ? 52  LYS   B HA   1 c 1 
ATOM   568  H HB2  . LYS   A 1 40  ? 34.482 -3.053  -10.327 1 59.866 ? 52  LYS   B HB2  1 c 1 
ATOM   569  H HB3  . LYS   A 1 40  ? 34.576 -4.109  -9.151  1 59.849 ? 52  LYS   B HB3  1 c 1 
ATOM   570  H HG2  . LYS   A 1 40  ? 32.822 -5.311  -10.007 1 60.55  ? 52  LYS   B HG2  1 c 1 
ATOM   571  H HG3  . LYS   A 1 40  ? 32.543 -4.192  -11.106 1 60.064 ? 52  LYS   B HG3  1 c 1 
ATOM   572  H HD2  . LYS   A 1 40  ? 34.393 -4.758  -12.317 1 66.856 ? 52  LYS   B HD2  1 c 1 
ATOM   573  H HD3  . LYS   A 1 40  ? 35.058 -5.526  -11.088 1 67.712 ? 52  LYS   B HD3  1 c 1 
ATOM   574  H HE2  . LYS   A 1 40  ? 33.067 -7.042  -11.352 1 67.3   ? 52  LYS   B HE2  1 c 1 
ATOM   575  H HE3  . LYS   A 1 40  ? 33.043 -6.454  -12.804 1 68.073 ? 52  LYS   B HE3  1 c 1 
ATOM   576  H HZ1  . LYS   A 1 40  ? 35.156 -7.853  -11.768 1 74.28  ? 52  LYS   B HZ1  1 c 1 
ATOM   577  H HZ2  . LYS   A 1 40  ? 35.147 -7.272  -13.126 1 74.912 ? 52  LYS   B HZ2  1 c 1 
ATOM   578  H HZ3  . LYS   A 1 40  ? 34.221 -8.371  -12.788 1 73.802 ? 52  LYS   B HZ3  1 c 1 
ATOM   579  N N    . VAL   A 1 41  ? 30.926 -3.544  -7.958  1 48.242 ? 53  VAL   B N    1 ? 1 
ATOM   580  C CA   . VAL   A 1 41  ? 30.067 -4.058  -6.891  1 50.984 ? 53  VAL   B CA   1 ? 1 
ATOM   581  C C    . VAL   A 1 41  ? 29.229 -5.222  -7.411  1 47.521 ? 53  VAL   B C    1 ? 1 
ATOM   582  O O    . VAL   A 1 41  ? 28.806 -5.241  -8.566  1 46.303 ? 53  VAL   B O    1 ? 1 
ATOM   583  C CB   . VAL   A 1 41  ? 29.21  -2.899  -6.351  1 48.136 ? 53  VAL   B CB   1 ? 1 
ATOM   584  C CG1  . VAL   A 1 41  ? 28.215 -3.402  -5.335  1 48.585 ? 53  VAL   B CG1  1 ? 1 
ATOM   585  C CG2  . VAL   A 1 41  ? 30.088 -1.803  -5.776  1 49.757 ? 53  VAL   B CG2  1 ? 1 
ATOM   586  H H    . VAL   A 1 41  ? 30.544 -3.253  -8.735  1 49.374 ? 53  VAL   B H    1 c 1 
ATOM   587  H HA   . VAL   A 1 41  ? 30.634 -4.384  -6.166  1 50.162 ? 53  VAL   B HA   1 c 1 
ATOM   588  H HB   . VAL   A 1 41  ? 28.709 -2.524  -7.113  1 48.194 ? 53  VAL   B HB   1 c 1 
ATOM   589  H HG11 . VAL   A 1 41  ? 28.624 -4.103  -4.8    1 48.762 ? 53  VAL   B HG11 1 c 1 
ATOM   590  H HG12 . VAL   A 1 41  ? 27.434 -3.758  -5.792  1 47.314 ? 53  VAL   B HG12 1 c 1 
ATOM   591  H HG13 . VAL   A 1 41  ? 27.944 -2.672  -4.755  1 47.009 ? 53  VAL   B HG13 1 c 1 
ATOM   592  H HG21 . VAL   A 1 41  ? 29.531 -1.133  -5.344  1 48.295 ? 53  VAL   B HG21 1 c 1 
ATOM   593  H HG22 . VAL   A 1 41  ? 30.597 -1.385  -6.49   1 50.319 ? 53  VAL   B HG22 1 c 1 
ATOM   594  H HG23 . VAL   A 1 41  ? 30.699 -2.184  -5.124  1 50.403 ? 53  VAL   B HG23 1 c 1 
ATOM   595  N N    . TYR   A 1 42  ? 29.105 -6.276  -6.576  1 45.545 ? 54  TYR   B N    1 ? 1 
ATOM   596  C CA   . TYR   A 1 42  ? 28.394 -7.492  -6.926  1 42.666 ? 54  TYR   B CA   1 ? 1 
ATOM   597  C C    . TYR   A 1 42  ? 27.198 -7.6    -5.98   1 45.462 ? 54  TYR   B C    1 ? 1 
ATOM   598  O O    . TYR   A 1 42  ? 27.41  -7.656  -4.762  1 42.541 ? 54  TYR   B O    1 ? 1 
ATOM   599  C CB   . TYR   A 1 42  ? 29.344 -8.7    -6.797  1 52.819 ? 54  TYR   B CB   1 ? 1 
ATOM   600  C CG   . TYR   A 1 42  ? 30.654 -8.658  -7.595  1 51.441 ? 54  TYR   B CG   1 ? 1 
ATOM   601  C CD1  . TYR   A 1 42  ? 31.719 -7.866  -7.208  1 53.719 ? 54  TYR   B CD1  1 ? 1 
ATOM   602  C CD2  . TYR   A 1 42  ? 30.784 -9.369  -8.783  1 58.365 ? 54  TYR   B CD2  1 ? 1 
ATOM   603  C CE1  . TYR   A 1 42  ? 32.903 -7.828  -7.936  1 60.006 ? 54  TYR   B CE1  1 ? 1 
ATOM   604  C CE2  . TYR   A 1 42  ? 31.97  -9.375  -9.5    1 61.444 ? 54  TYR   B CE2  1 ? 1 
ATOM   605  C CZ   . TYR   A 1 42  ? 33.017 -8.57   -9.093  1 61.738 ? 54  TYR   B CZ   1 ? 1 
ATOM   606  O OH   . TYR   A 1 42  ? 34.171 -8.55   -9.809  1 62.627 ? 54  TYR   B OH   1 ? 1 
ATOM   607  H H    . TYR   A 1 42  ? 29.486 -6.224  -5.746  1 45.602 ? 54  TYR   B H    1 c 1 
ATOM   608  H HA   . TYR   A 1 42  ? 28.07  -7.428  -7.863  1 45.281 ? 54  TYR   B HA   1 c 1 
ATOM   609  H HB2  . TYR   A 1 42  ? 29.568 -8.808  -5.846  1 50.175 ? 54  TYR   B HB2  1 c 1 
ATOM   610  H HB3  . TYR   A 1 42  ? 28.847 -9.505  -7.064  1 50.451 ? 54  TYR   B HB3  1 c 1 
ATOM   611  H HD1  . TYR   A 1 42  ? 31.65  -7.357  -6.417  1 53.379 ? 54  TYR   B HD1  1 c 1 
ATOM   612  H HD2  . TYR   A 1 42  ? 30.076 -9.928  -9.064  1 56.937 ? 54  TYR   B HD2  1 c 1 
ATOM   613  H HE1  . TYR   A 1 42  ? 33.622 -7.293  -7.645  1 59.731 ? 54  TYR   B HE1  1 c 1 
ATOM   614  H HE2  . TYR   A 1 42  ? 32.04  -9.872  -10.297 1 62.285 ? 54  TYR   B HE2  1 c 1 
ATOM   615  H HH   . TYR   A 1 42  ? 34.695 -9.151  -9.548  0 30     ? 54  TYR   B HH   1 c 1 
ATOM   616  N N    . VAL   A 1 43  ? 25.985 -7.722  -6.545  1 43.325 ? 55  VAL   B N    1 ? 1 
ATOM   617  C CA   . VAL   A 1 43  ? 24.788 -7.848  -5.723  1 39.807 ? 55  VAL   B CA   1 ? 1 
ATOM   618  C C    . VAL   A 1 43  ? 23.883 -8.948  -6.282  1 41.741 ? 55  VAL   B C    1 ? 1 
ATOM   619  O O    . VAL   A 1 43  ? 23.986 -9.326  -7.473  1 41.3   ? 55  VAL   B O    1 ? 1 
ATOM   620  C CB   . VAL   A 1 43  ? 23.987 -6.536  -5.602  1 39.719 ? 55  VAL   B CB   1 ? 1 
ATOM   621  C CG1  . VAL   A 1 43  ? 24.852 -5.358  -5.225  1 40.462 ? 55  VAL   B CG1  1 ? 1 
ATOM   622  C CG2  . VAL   A 1 43  ? 23.201 -6.261  -6.9    1 37.094 ? 55  VAL   B CG2  1 ? 1 
ATOM   623  H H    . VAL   A 1 43  ? 25.903 -7.727  -7.456  1 43.302 ? 55  VAL   B H    1 c 1 
ATOM   624  H HA   . VAL   A 1 43  ? 25.066 -8.115  -4.828  1 41.108 ? 55  VAL   B HA   1 c 1 
ATOM   625  H HB   . VAL   A 1 43  ? 23.329 -6.664  -4.88   1 38.603 ? 55  VAL   B HB   1 c 1 
ATOM   626  H HG11 . VAL   A 1 43  ? 25.46  -5.153  -5.955  1 40.713 ? 55  VAL   B HG11 1 c 1 
ATOM   627  H HG12 . VAL   A 1 43  ? 25.365 -5.573  -4.428  1 40.616 ? 55  VAL   B HG12 1 c 1 
ATOM   628  H HG13 . VAL   A 1 43  ? 24.289 -4.585  -5.047  1 39.026 ? 55  VAL   B HG13 1 c 1 
ATOM   629  H HG21 . VAL   A 1 43  ? 22.956 -5.322  -6.936  1 36.766 ? 55  VAL   B HG21 1 c 1 
ATOM   630  H HG22 . VAL   A 1 43  ? 22.395 -6.804  -6.916  1 37.712 ? 55  VAL   B HG22 1 c 1 
ATOM   631  H HG23 . VAL   A 1 43  ? 23.755 -6.479  -7.669  1 38.628 ? 55  VAL   B HG23 1 c 1 
ATOM   632  N N    . HIS   A 1 44  ? 22.984 -9.448  -5.413  1 36.57  ? 56  HIS   B N    1 ? 1 
ATOM   633  C CA   . HIS   A 1 44  ? 21.715 -10.005 -5.875  1 40.336 ? 56  HIS   B CA   1 ? 1 
ATOM   634  C C    . HIS   A 1 44  ? 20.608 -9.055  -5.466  1 38.891 ? 56  HIS   B C    1 ? 1 
ATOM   635  O O    . HIS   A 1 44  ? 20.674 -8.472  -4.398  1 38.579 ? 56  HIS   B O    1 ? 1 
ATOM   636  C CB   . HIS   A 1 44  ? 21.464 -11.435 -5.351  1 46.192 ? 56  HIS   B CB   1 ? 1 
ATOM   637  C CG   . HIS   A 1 44  ? 22.109 -12.513 -6.157  1 45.275 ? 56  HIS   B CG   1 ? 1 
ATOM   638  N ND1  . HIS   A 1 44  ? 21.825 -12.725 -7.508  1 49.915 ? 56  HIS   B ND1  1 ? 1 
ATOM   639  C CD2  . HIS   A 1 44  ? 23.048 -13.418 -5.788  1 48.788 ? 56  HIS   B CD2  1 ? 1 
ATOM   640  C CE1  . HIS   A 1 44  ? 22.569 -13.755 -7.938  1 53.378 ? 56  HIS   B CE1  1 ? 1 
ATOM   641  N NE2  . HIS   A 1 44  ? 23.305 -14.208 -6.903  1 51.241 ? 56  HIS   B NE2  1 ? 1 
ATOM   642  H H    . HIS   A 1 44  ? 23.167 -9.443  -4.517  1 38.413 ? 56  HIS   B H    1 c 1 
ATOM   643  H HA   . HIS   A 1 44  ? 21.739 -10.039 -6.862  1 40.731 ? 56  HIS   B HA   1 c 1 
ATOM   644  H HB2  . HIS   A 1 44  ? 21.793 -11.491 -4.428  1 44.528 ? 56  HIS   B HB2  1 c 1 
ATOM   645  H HB3  . HIS   A 1 44  ? 20.495 -11.594 -5.328  1 44.322 ? 56  HIS   B HB3  1 c 1 
ATOM   646  H HD1  . HIS   A 1 44  ? 21.243 -12.249 -7.993  0 30     ? 56  HIS   B HD1  1 c 1 
ATOM   647  H HD2  . HIS   A 1 44  ? 23.426 -13.524 -4.938  1 48.768 ? 56  HIS   B HD2  1 c 1 
ATOM   648  H HE1  . HIS   A 1 44  ? 22.56  -14.112 -8.809  1 53.383 ? 56  HIS   B HE1  1 c 1 
ATOM   649  H HE2  . HIS   A 1 44  ? 23.837 -14.892 -6.959  0 30     ? 56  HIS   B HE2  1 c 1 
ATOM   650  N N    . TYR   A 1 45  ? 19.537 -8.999  -6.264  1 39.95  ? 57  TYR   B N    1 ? 1 
ATOM   651  C CA   . TYR   A 1 45  ? 18.466 -8.081  -5.929  1 37.308 ? 57  TYR   B CA   1 ? 1 
ATOM   652  C C    . TYR   A 1 45  ? 17.138 -8.665  -6.408  1 37.202 ? 57  TYR   B C    1 ? 1 
ATOM   653  O O    . TYR   A 1 45  ? 17.048 -9.447  -7.372  1 41.222 ? 57  TYR   B O    1 ? 1 
ATOM   654  C CB   . TYR   A 1 45  ? 18.674 -6.654  -6.507  1 30.661 ? 57  TYR   B CB   1 ? 1 
ATOM   655  C CG   . TYR   A 1 45  ? 18.505 -6.603  -8.026  1 33.939 ? 57  TYR   B CG   1 ? 1 
ATOM   656  C CD1  . TYR   A 1 45  ? 19.561 -6.839  -8.89   1 35.227 ? 57  TYR   B CD1  1 ? 1 
ATOM   657  C CD2  . TYR   A 1 45  ? 17.263 -6.316  -8.613  1 34.878 ? 57  TYR   B CD2  1 ? 1 
ATOM   658  C CE1  . TYR   A 1 45  ? 19.381 -6.763  -10.266 1 36.832 ? 57  TYR   B CE1  1 ? 1 
ATOM   659  C CE2  . TYR   A 1 45  ? 17.088 -6.291  -9.983  1 38.654 ? 57  TYR   B CE2  1 ? 1 
ATOM   660  C CZ   . TYR   A 1 45  ? 18.146 -6.52   -10.815 1 34.719 ? 57  TYR   B CZ   1 ? 1 
ATOM   661  O OH   . TYR   A 1 45  ? 17.898 -6.433  -12.17  1 39.111 ? 57  TYR   B OH   1 ? 1 
ATOM   662  H H    . TYR   A 1 45  ? 19.473 -9.525  -7.009  1 40.231 ? 57  TYR   B H    1 c 1 
ATOM   663  H HA   . TYR   A 1 45  ? 18.428 -8.008  -4.941  1 36.016 ? 57  TYR   B HA   1 c 1 
ATOM   664  H HB2  . TYR   A 1 45  ? 18.023 -6.047  -6.09   1 31.577 ? 57  TYR   B HB2  1 c 1 
ATOM   665  H HB3  . TYR   A 1 45  ? 19.578 -6.347  -6.273  1 32.211 ? 57  TYR   B HB3  1 c 1 
ATOM   666  H HD1  . TYR   A 1 45  ? 20.42  -7.017  -8.541  1 35.605 ? 57  TYR   B HD1  1 c 1 
ATOM   667  H HD2  . TYR   A 1 45  ? 16.515 -6.171  -8.055  1 34.869 ? 57  TYR   B HD2  1 c 1 
ATOM   668  H HE1  . TYR   A 1 45  ? 20.111 -6.931  -10.836 1 36.954 ? 57  TYR   B HE1  1 c 1 
ATOM   669  H HE2  . TYR   A 1 45  ? 16.241 -6.093  -10.344 1 36.796 ? 57  TYR   B HE2  1 c 1 
ATOM   670  H HH   . TYR   A 1 45  ? 17.694 -7.206  -12.485 0 30     ? 57  TYR   B HH   1 c 1 
ATOM   671  N N    . LYS   A 1 46  ? 16.099 -8.107  -5.791  1 36.076 ? 58  LYS   B N    1 ? 1 
ATOM   672  C CA   . LYS   A 1 46  ? 14.705 -8.322  -6.117  1 39.895 ? 58  LYS   B CA   1 ? 1 
ATOM   673  C C    . LYS   A 1 46  ? 14.12  -6.924  -6.11   1 42.865 ? 58  LYS   B C    1 ? 1 
ATOM   674  O O    . LYS   A 1 46  ? 14.163 -6.286  -5.053  1 39.999 ? 58  LYS   B O    1 ? 1 
ATOM   675  C CB   . LYS   A 1 46  ? 13.89  -9.145  -5.094  1 38.838 ? 58  LYS   B CB   1 ? 1 
ATOM   676  H H    . LYS   A 1 46  ? 16.281 -7.542  -5.096  1 36.078 ? 58  LYS   B H    1 c 1 
ATOM   677  H HA   . LYS   A 1 46  ? 14.634 -8.713  -7.025  1 40.395 ? 58  LYS   B HA   1 c 1 
ATOM   678  H HB2  . LYS   A 1 46  ? 14.51  -9.617  -4.504  0 30     ? 58  LYS   B HB2  1 c 1 
ATOM   679  H HB3  . LYS   A 1 46  ? 12.932 -9.001  -5.27   0 30     ? 58  LYS   B HB3  1 c 1 
ATOM   680  N N    . GLY   A 1 47  ? 13.589 -6.486  -7.265  1 38.612 ? 59  GLY   B N    1 ? 1 
ATOM   681  C CA   . GLY   A 1 47  ? 12.948 -5.189  -7.339  1 42.762 ? 59  GLY   B CA   1 ? 1 
ATOM   682  C C    . GLY   A 1 47  ? 11.551 -5.268  -7.923  1 46.251 ? 59  GLY   B C    1 ? 1 
ATOM   683  O O    . GLY   A 1 47  ? 11.214 -6.22   -8.614  1 54.03  ? 59  GLY   B O    1 ? 1 
ATOM   684  H H    . GLY   A 1 47  ? 13.629 -7.007  -8.015  1 41.522 ? 59  GLY   B H    1 c 1 
ATOM   685  H HA2  . GLY   A 1 47  ? 12.903 -4.801  -6.437  1 41.22  ? 59  GLY   B HA2  1 c 1 
ATOM   686  H HA3  . GLY   A 1 47  ? 13.501 -4.592  -7.896  1 41.436 ? 59  GLY   B HA3  1 c 1 
ATOM   687  N N    . LYS   A 1 48  ? 10.732 -4.246  -7.62   1 34.188 ? 60  LYS   B N    1 ? 1 
ATOM   688  C CA   . LYS   A 1 48  ? 9.405  -4.149  -8.207  1 39.703 ? 60  LYS   B CA   1 ? 1 
ATOM   689  C C    . LYS   A 1 48  ? 8.978  -2.705  -8.149  1 40.939 ? 60  LYS   B C    1 ? 1 
ATOM   690  O O    . LYS   A 1 48  ? 9.574  -1.906  -7.391  1 38.518 ? 60  LYS   B O    1 ? 1 
ATOM   691  C CB   . LYS   A 1 48  ? 8.377  -5.023  -7.482  1 40.109 ? 60  LYS   B CB   1 ? 1 
ATOM   692  C CG   . LYS   A 1 48  ? 8.306  -4.8    -5.995  1 41.425 ? 60  LYS   B CG   1 ? 1 
ATOM   693  C CD   . LYS   A 1 48  ? 7.111  -5.384  -5.241  1 45.727 ? 60  LYS   B CD   1 ? 1 
ATOM   694  C CE   . LYS   A 1 48  ? 7.337  -5.417  -3.757  1 56.357 ? 60  LYS   B CE   1 ? 1 
ATOM   695  N NZ   . LYS   A 1 48  ? 6.276  -6.2    -3.086  1 62.298 ? 60  LYS   B NZ   1 ? 1 
ATOM   696  H H    . LYS   A 1 48  ? 11.008 -3.6    -7.035  1 36.699 ? 60  LYS   B H    1 c 1 
ATOM   697  H HA   . LYS   A 1 48  ? 9.458  -4.428  -9.157  1 39.757 ? 60  LYS   B HA   1 c 1 
ATOM   698  H HB2  . LYS   A 1 48  ? 7.49   -4.851  -7.864  1 41.7   ? 60  LYS   B HB2  1 c 1 
ATOM   699  H HB3  . LYS   A 1 48  ? 8.593  -5.966  -7.644  1 41.544 ? 60  LYS   B HB3  1 c 1 
ATOM   700  H HG2  . LYS   A 1 48  ? 9.127  -5.166  -5.6    1 41.09  ? 60  LYS   B HG2  1 c 1 
ATOM   701  H HG3  . LYS   A 1 48  ? 8.324  -3.832  -5.834  1 40.673 ? 60  LYS   B HG3  1 c 1 
ATOM   702  H HD2  . LYS   A 1 48  ? 6.315  -4.842  -5.433  1 47.791 ? 60  LYS   B HD2  1 c 1 
ATOM   703  H HD3  . LYS   A 1 48  ? 6.944  -6.297  -5.562  1 48.518 ? 60  LYS   B HD3  1 c 1 
ATOM   704  H HE2  . LYS   A 1 48  ? 8.202  -5.822  -3.563  1 53.764 ? 60  LYS   B HE2  1 c 1 
ATOM   705  H HE3  . LYS   A 1 48  ? 7.337  -4.51   -3.404  1 53.463 ? 60  LYS   B HE3  1 c 1 
ATOM   706  H HZ1  . LYS   A 1 48  ? 6.304  -7.06   -3.368  1 61.939 ? 60  LYS   B HZ1  1 c 1 
ATOM   707  H HZ2  . LYS   A 1 48  ? 5.464  -5.849  -3.284  1 61.623 ? 60  LYS   B HZ2  1 c 1 
ATOM   708  H HZ3  . LYS   A 1 48  ? 6.399  -6.177  -2.189  1 60.859 ? 60  LYS   B HZ3  1 c 1 
ATOM   709  N N    . LEU   A 1 49  ? 8.019  -2.349  -9.007  1 38.247 ? 61  LEU   B N    1 ? 1 
ATOM   710  C CA   . LEU   A 1 49  ? 7.266  -1.125  -8.742  1 42.008 ? 61  LEU   B CA   1 ? 1 
ATOM   711  C C    . LEU   A 1 49  ? 6.58   -1.285  -7.375  1 40.896 ? 61  LEU   B C    1 ? 1 
ATOM   712  O O    . LEU   A 1 49  ? 6.12   -2.374  -7.032  1 38.561 ? 61  LEU   B O    1 ? 1 
ATOM   713  C CB   . LEU   A 1 49  ? 6.235  -0.914  -9.846  1 40.467 ? 61  LEU   B CB   1 ? 1 
ATOM   714  C CG   . LEU   A 1 49  ? 6.766  -0.932  -11.291 1 39.372 ? 61  LEU   B CG   1 ? 1 
ATOM   715  C CD1  . LEU   A 1 49  ? 5.606  -0.69   -12.203 1 42.749 ? 61  LEU   B CD1  1 ? 1 
ATOM   716  C CD2  . LEU   A 1 49  ? 7.859  0.083   -11.501 1 42.411 ? 61  LEU   B CD2  1 ? 1 
ATOM   717  H H    . LEU   A 1 49  ? 7.822  -2.863  -9.736  1 40.877 ? 61  LEU   B H    1 c 1 
ATOM   718  H HA   . LEU   A 1 49  ? 7.893  -0.358  -8.713  1 39.357 ? 61  LEU   B HA   1 c 1 
ATOM   719  H HB2  . LEU   A 1 49  ? 5.548  -1.614  -9.761  1 42.015 ? 61  LEU   B HB2  1 c 1 
ATOM   720  H HB3  . LEU   A 1 49  ? 5.793  -0.048  -9.69   1 40.818 ? 61  LEU   B HB3  1 c 1 
ATOM   721  H HG   . LEU   A 1 49  ? 7.13   -1.833  -11.484 1 40.975 ? 61  LEU   B HG   1 c 1 
ATOM   722  H HD11 . LEU   A 1 49  ? 4.942  -1.389  -12.076 1 43.459 ? 61  LEU   B HD11 1 c 1 
ATOM   723  H HD12 . LEU   A 1 49  ? 5.911  -0.697  -13.125 1 42.738 ? 61  LEU   B HD12 1 c 1 
ATOM   724  H HD13 . LEU   A 1 49  ? 5.208  0.174   -12.001 1 42.24  ? 61  LEU   B HD13 1 c 1 
ATOM   725  H HD21 . LEU   A 1 49  ? 8.658  -0.195  -11.023 1 40.008 ? 61  LEU   B HD21 1 c 1 
ATOM   726  H HD22 . LEU   A 1 49  ? 7.568  0.948   -11.168 1 40.695 ? 61  LEU   B HD22 1 c 1 
ATOM   727  H HD23 . LEU   A 1 49  ? 8.059  0.153   -12.45  1 41.519 ? 61  LEU   B HD23 1 c 1 
ATOM   728  N N    . SER   A 1 50  ? 6.485  -0.208  -6.578  1 42.606 ? 62  SER   B N    1 ? 1 
ATOM   729  C CA   . SER   A 1 50  ? 6.07   -0.404  -5.193  1 50.834 ? 62  SER   B CA   1 ? 1 
ATOM   730  C C    . SER   A 1 50  ? 4.631  -0.901  -5.112  1 50.189 ? 62  SER   B C    1 ? 1 
ATOM   731  O O    . SER   A 1 50  ? 4.235  -1.427  -4.078  1 52.013 ? 62  SER   B O    1 ? 1 
ATOM   732  C CB   . SER   A 1 50  ? 6.266  0.831   -4.317  1 53.07  ? 62  SER   B CB   1 ? 1 
ATOM   733  O OG   . SER   A 1 50  ? 5.537  1.938   -4.807  1 60.476 ? 62  SER   B OG   1 ? 1 
ATOM   734  H H    . SER   A 1 50  ? 6.675  0.631   -6.887  1 43.137 ? 62  SER   B H    1 c 1 
ATOM   735  H HA   . SER   A 1 50  ? 6.644  -1.12   -4.819  1 48.646 ? 62  SER   B HA   1 c 1 
ATOM   736  H HB2  . SER   A 1 50  ? 5.975  0.63    -3.407  1 54.169 ? 62  SER   B HB2  1 c 1 
ATOM   737  H HB3  . SER   A 1 50  ? 7.216  1.056   -4.287  1 52.592 ? 62  SER   B HB3  1 c 1 
ATOM   738  H HG   . SER   A 1 50  ? 5.561  2.601   -4.331  0 30     ? 62  SER   B HG   1 c 1 
ATOM   739  N N    . ASN   A 1 51  ? 3.835  -0.683  -6.152  1 52.968 ? 63  ASN   B N    1 ? 1 
ATOM   740  C CA   . ASN   A 1 51  ? 2.487  -1.236  -6.26   1 61.124 ? 63  ASN   B CA   1 ? 1 
ATOM   741  C C    . ASN   A 1 51  ? 2.444  -2.646  -6.882  1 65.068 ? 63  ASN   B C    1 ? 1 
ATOM   742  O O    . ASN   A 1 51  ? 1.492  -2.976  -7.589  1 72.486 ? 63  ASN   B O    1 ? 1 
ATOM   743  C CB   . ASN   A 1 51  ? 1.597  -0.263  -7.036  1 67.774 ? 63  ASN   B CB   1 ? 1 
ATOM   744  C CG   . ASN   A 1 51  ? 2.138  0.035   -8.417  1 71.33  ? 63  ASN   B CG   1 ? 1 
ATOM   745  O OD1  . ASN   A 1 51  ? 3.172  -0.516  -8.813  1 83.212 ? 63  ASN   B OD1  1 ? 1 
ATOM   746  N ND2  . ASN   A 1 51  ? 1.462  0.889   -9.175  1 66.31  ? 63  ASN   B ND2  1 ? 1 
ATOM   747  H H    . ASN   A 1 51  ? 4.137  -0.145  -6.826  1 53.331 ? 63  ASN   B H    1 c 1 
ATOM   748  H HA   . ASN   A 1 51  ? 2.115  -1.3    -5.352  1 61.687 ? 63  ASN   B HA   1 c 1 
ATOM   749  H HB2  . ASN   A 1 51  ? 0.699  -0.642  -7.118  1 69.173 ? 63  ASN   B HB2  1 c 1 
ATOM   750  H HB3  . ASN   A 1 51  ? 1.525  0.574   -6.535  1 66.906 ? 63  ASN   B HB3  1 c 1 
ATOM   751  H HD21 . ASN   A 1 51  ? 1.747  1.076   -9.994  1 68.164 ? 63  ASN   B HD21 1 c 1 
ATOM   752  H HD22 . ASN   A 1 51  ? 0.725  1.273   -8.862  1 69.119 ? 63  ASN   B HD22 1 c 1 
ATOM   753  N N    . GLY   A 1 52  ? 3.43   -3.519  -6.611  1 69.026 ? 64  GLY   B N    1 ? 1 
ATOM   754  C CA   . GLY   A 1 52  ? 3.353  -4.928  -6.979  1 58.48  ? 64  GLY   B CA   1 ? 1 
ATOM   755  C C    . GLY   A 1 52  ? 3.552  -5.085  -8.472  1 63.06  ? 64  GLY   B C    1 ? 1 
ATOM   756  O O    . GLY   A 1 52  ? 3.336  -6.212  -8.956  1 64.762 ? 64  GLY   B O    1 ? 1 
ATOM   757  H H    . GLY   A 1 52  ? 4.181  -3.225  -6.181  1 63.229 ? 64  GLY   B H    1 c 1 
ATOM   758  H HA2  . GLY   A 1 52  ? 4.048  -5.432  -6.494  1 61.276 ? 64  GLY   B HA2  1 c 1 
ATOM   759  H HA3  . GLY   A 1 52  ? 2.472  -5.288  -6.719  1 63.714 ? 64  GLY   B HA3  1 c 1 
ATOM   760  N N    . PHE   A 1 55  ? 8.071  -8.79   -9.751  1 49.445 ? 67  PHE   B N    1 ? 1 
ATOM   761  C CA   . PHE   A 1 55  ? 9.516  -8.574  -9.502  1 53.884 ? 67  PHE   B CA   1 ? 1 
ATOM   762  C C    . PHE   A 1 55  ? 10.423 -8.793  -10.708 1 49.655 ? 67  PHE   B C    1 ? 1 
ATOM   763  O O    . PHE   A 1 55  ? 10.387 -9.845  -11.327 1 52.998 ? 67  PHE   B O    1 ? 1 
ATOM   764  C CB   . PHE   A 1 55  ? 9.995  -9.549  -8.411  1 68.249 ? 67  PHE   B CB   1 ? 1 
ATOM   765  C CG   . PHE   A 1 55  ? 9.686  -9.157  -6.972  1 70.193 ? 67  PHE   B CG   1 ? 1 
ATOM   766  C CD1  . PHE   A 1 55  ? 10.418 -8.164  -6.324  1 75.736 ? 67  PHE   B CD1  1 ? 1 
ATOM   767  C CD2  . PHE   A 1 55  ? 8.668  -9.785  -6.259  1 80.217 ? 67  PHE   B CD2  1 ? 1 
ATOM   768  C CE1  . PHE   A 1 55  ? 10.144 -7.817  -5.001  1 76.335 ? 67  PHE   B CE1  1 ? 1 
ATOM   769  C CE2  . PHE   A 1 55  ? 8.401  -9.439  -4.937  1 73.639 ? 67  PHE   B CE2  1 ? 1 
ATOM   770  C CZ   . PHE   A 1 55  ? 9.136  -8.459  -4.314  1 73.357 ? 67  PHE   B CZ   1 ? 1 
ATOM   771  H H    . PHE   A 1 55  ? 7.609  -8.702  -8.981  1 51.362 ? 67  PHE   B H    1 c 1 
ATOM   772  H HA   . PHE   A 1 55  ? 9.638  -7.649  -9.173  1 52.315 ? 67  PHE   B HA   1 c 1 
ATOM   773  H HB2  . PHE   A 1 55  ? 9.591  -10.428 -8.588  1 66.842 ? 67  PHE   B HB2  1 c 1 
ATOM   774  H HB3  . PHE   A 1 55  ? 10.969 -9.656  -8.501  1 64.498 ? 67  PHE   B HB3  1 c 1 
ATOM   775  H HD1  . PHE   A 1 55  ? 11.118 -7.732  -6.782  1 72.835 ? 67  PHE   B HD1  1 c 1 
ATOM   776  H HD2  . PHE   A 1 55  ? 8.161  -10.464 -6.675  1 78.242 ? 67  PHE   B HD2  1 c 1 
ATOM   777  H HE1  . PHE   A 1 55  ? 10.652 -7.144  -4.576  1 73.634 ? 67  PHE   B HE1  1 c 1 
ATOM   778  H HE2  . PHE   A 1 55  ? 7.705  -9.873  -4.471  1 76.68  ? 67  PHE   B HE2  1 c 1 
ATOM   779  H HZ   . PHE   A 1 55  ? 8.944  -8.219  -3.421  1 73.748 ? 67  PHE   B HZ   1 c 1 
ATOM   780  N N    . ASP   A 1 56  ? 11.368 -7.863  -10.921 1 41.882 ? 68  ASP   B N    1 ? 1 
ATOM   781  C CA   . ASP   A 1 56  ? 12.619 -8.164  -11.597 1 40.377 ? 68  ASP   B CA   1 ? 1 
ATOM   782  C C    . ASP   A 1 56  ? 13.649 -8.639  -10.589 1 39.305 ? 68  ASP   B C    1 ? 1 
ATOM   783  O O    . ASP   A 1 56  ? 13.937 -7.944  -9.593  1 37.982 ? 68  ASP   B O    1 ? 1 
ATOM   784  C CB   . ASP   A 1 56  ? 13.209 -6.945  -12.274 1 40.589 ? 68  ASP   B CB   1 ? 1 
ATOM   785  C CG   . ASP   A 1 56  ? 14.649 -7.069  -12.782 1 40.894 ? 68  ASP   B CG   1 ? 1 
ATOM   786  O OD1  . ASP   A 1 56  ? 15.015 -8.133  -13.336 1 42     ? 68  ASP   B OD1  1 ? 1 
ATOM   787  O OD2  . ASP   A 1 56  ? 15.381 -6.082  -12.713 1 39.284 ? 68  ASP   B OD2  1 ? 1 
ATOM   788  H H    . ASP   A 1 56  ? 11.221 -7.008  -10.634 1 41.85  ? 68  ASP   B H    1 c 1 
ATOM   789  H HA   . ASP   A 1 56  ? 12.463 -8.867  -12.267 1 42.456 ? 68  ASP   B HA   1 c 1 
ATOM   790  H HB2  . ASP   A 1 56  ? 12.641 -6.712  -13.037 1 41.026 ? 68  ASP   B HB2  1 c 1 
ATOM   791  H HB3  . ASP   A 1 56  ? 13.179 -6.196  -11.642 1 39.074 ? 68  ASP   B HB3  1 c 1 
ATOM   792  N N    . SER   A 1 57  ? 14.238 -9.815  -10.845 1 46.282 ? 69  SER   B N    1 ? 1 
ATOM   793  C CA   . SER   A 1 57  ? 15.245 -10.342 -9.91   1 41.064 ? 69  SER   B CA   1 ? 1 
ATOM   794  C C    . SER   A 1 57  ? 16.476 -10.854 -10.66  1 45.244 ? 69  SER   B C    1 ? 1 
ATOM   795  O O    . SER   A 1 57  ? 16.342 -11.475 -11.726 1 46.039 ? 69  SER   B O    1 ? 1 
ATOM   796  C CB   . SER   A 1 57  ? 14.727 -11.46  -9.014  1 49.917 ? 69  SER   B CB   1 ? 1 
ATOM   797  O OG   . SER   A 1 57  ? 15.824 -12.023 -8.303  1 48.202 ? 69  SER   B OG   1 ? 1 
ATOM   798  H H    . SER   A 1 57  ? 14.023 -10.293 -11.593 1 44.981 ? 69  SER   B H    1 c 1 
ATOM   799  H HA   . SER   A 1 57  ? 15.535 -9.597  -9.328  1 42.371 ? 69  SER   B HA   1 c 1 
ATOM   800  H HB2  . SER   A 1 57  ? 14.073 -11.102 -8.384  1 46.942 ? 69  SER   B HB2  1 c 1 
ATOM   801  H HB3  . SER   A 1 57  ? 14.298 -12.147 -9.559  1 49.097 ? 69  SER   B HB3  1 c 1 
ATOM   802  H HG   . SER   A 1 57  ? 15.539 -12.637 -7.796  0 30     ? 69  SER   B HG   1 c 1 
ATOM   803  N N    . SER   A 1 58  ? 17.653 -10.559 -10.104 1 41.941 ? 70  SER   B N    1 ? 1 
ATOM   804  C CA   . SER   A 1 58  ? 18.896 -11.121 -10.598 1 41.275 ? 70  SER   B CA   1 ? 1 
ATOM   805  C C    . SER   A 1 58  ? 18.818 -12.649 -10.647 1 45.444 ? 70  SER   B C    1 ? 1 
ATOM   806  O O    . SER   A 1 58  ? 19.366 -13.268 -11.577 1 45.386 ? 70  SER   B O    1 ? 1 
ATOM   807  C CB   . SER   A 1 58  ? 20.037 -10.686 -9.747  1 43.597 ? 70  SER   B CB   1 ? 1 
ATOM   808  O OG   . SER   A 1 58  ? 19.726 -10.811 -8.347  1 41.155 ? 70  SER   B OG   1 ? 1 
ATOM   809  H H    . SER   A 1 58  ? 17.681 -9.986  -9.392  1 40.853 ? 70  SER   B H    1 c 1 
ATOM   810  H HA   . SER   A 1 58  ? 19.043 -10.788 -11.517 1 42.928 ? 70  SER   B HA   1 c 1 
ATOM   811  H HB2  . SER   A 1 58  ? 20.821 -11.23  -9.955  1 43.551 ? 70  SER   B HB2  1 c 1 
ATOM   812  H HB3  . SER   A 1 58  ? 20.252 -9.755  -9.949  1 41.365 ? 70  SER   B HB3  1 c 1 
ATOM   813  H HG   . SER   A 1 58  ? 20.399 -10.556 -7.902  0 30     ? 70  SER   B HG   1 c 1 
ATOM   814  N N    . HIS   A 1 59  ? 18.14  -13.257 -9.652  1 44.808 ? 71  HIS   B N    1 ? 1 
ATOM   815  C CA   . HIS   A 1 59  ? 17.993 -14.709 -9.644  1 46.4   ? 71  HIS   B CA   1 ? 1 
ATOM   816  C C    . HIS   A 1 59  ? 17.315 -15.197 -10.924 1 49.288 ? 71  HIS   B C    1 ? 1 
ATOM   817  O O    . HIS   A 1 59  ? 17.503 -16.336 -11.295 1 50.851 ? 71  HIS   B O    1 ? 1 
ATOM   818  C CB   . HIS   A 1 59  ? 17.352 -15.235 -8.334  1 46.7   ? 71  HIS   B CB   1 ? 1 
ATOM   819  C CG   . HIS   A 1 59  ? 18.142 -14.903 -7.08   1 47.505 ? 71  HIS   B CG   1 ? 1 
ATOM   820  N ND1  . HIS   A 1 59  ? 19.412 -15.415 -6.886  1 52.231 ? 71  HIS   B ND1  1 ? 1 
ATOM   821  C CD2  . HIS   A 1 59  ? 17.918 -14.09  -6.012  1 52.226 ? 71  HIS   B CD2  1 ? 1 
ATOM   822  C CE1  . HIS   A 1 59  ? 19.896 -14.995 -5.709  1 54.812 ? 71  HIS   B CE1  1 ? 1 
ATOM   823  N NE2  . HIS   A 1 59  ? 19.037 -14.164 -5.174  1 49.805 ? 71  HIS   B NE2  1 ? 1 
ATOM   824  H H    . HIS   A 1 59  ? 17.776 -12.766 -8.973  1 43.625 ? 71  HIS   B H    1 c 1 
ATOM   825  H HA   . HIS   A 1 59  ? 18.916 -15.064 -9.651  1 47.499 ? 71  HIS   B HA   1 c 1 
ATOM   826  H HB2  . HIS   A 1 59  ? 16.451 -14.854 -8.251  1 46.488 ? 71  HIS   B HB2  1 c 1 
ATOM   827  H HB3  . HIS   A 1 59  ? 17.258 -16.21  -8.4    1 49.017 ? 71  HIS   B HB3  1 c 1 
ATOM   828  H HD1  . HIS   A 1 59  ? 19.835 -15.936 -7.441  0 30     ? 71  HIS   B HD1  1 c 1 
ATOM   829  H HD2  . HIS   A 1 59  ? 17.149 -13.581 -5.85   1 49.145 ? 71  HIS   B HD2  1 c 1 
ATOM   830  H HE1  . HIS   A 1 59  ? 20.745 -15.21  -5.361  1 53.645 ? 71  HIS   B HE1  1 c 1 
ATOM   831  H HE2  . HIS   A 1 59  ? 19.126 -13.718 -4.422  0 30     ? 71  HIS   B HE2  1 c 1 
ATOM   832  N N    . ASP   A 1 60  ? 16.494 -14.377 -11.583 1 51.066 ? 72  ASP   B N    1 ? 1 
ATOM   833  C CA   . ASP   A 1 60  ? 15.885 -14.773 -12.862 1 61.944 ? 72  ASP   B CA   1 ? 1 
ATOM   834  C C    . ASP   A 1 60  ? 16.946 -15.138 -13.915 1 64.287 ? 72  ASP   B C    1 ? 1 
ATOM   835  O O    . ASP   A 1 60  ? 16.653 -15.852 -14.88  1 67.918 ? 72  ASP   B O    1 ? 1 
ATOM   836  C CB   . ASP   A 1 60  ? 14.995 -13.698 -13.505 1 63.48  ? 72  ASP   B CB   1 ? 1 
ATOM   837  C CG   . ASP   A 1 60  ? 13.817 -13.159 -12.678 1 67.98  ? 72  ASP   B CG   1 ? 1 
ATOM   838  O OD1  . ASP   A 1 60  ? 13.232 -13.989 -11.914 1 70.377 ? 72  ASP   B OD1  1 ? 1 
ATOM   839  O OD2  . ASP   A 1 60  ? 13.478 -11.906 -12.817 1 51.648 ? 72  ASP   B OD2  1 ? 1 
ATOM   840  H H    . ASP   A 1 60  ? 16.286 -13.561 -11.229 1 50.466 ? 72  ASP   B H    1 c 1 
ATOM   841  H HA   . ASP   A 1 60  ? 15.324 -15.565 -12.7   1 61.968 ? 72  ASP   B HA   1 c 1 
ATOM   842  H HB2  . ASP   A 1 60  ? 15.56  -12.937 -13.751 1 62.794 ? 72  ASP   B HB2  1 c 1 
ATOM   843  H HB3  . ASP   A 1 60  ? 14.625 -14.067 -14.334 1 65.655 ? 72  ASP   B HB3  1 c 1 
ATOM   844  N N    . ARG   A 1 61  ? 18.151 -14.57  -13.787 1 62.913 ? 73  ARG   B N    1 ? 1 
ATOM   845  C CA   . ARG   A 1 61  ? 19.194 -14.7   -14.788 1 63.297 ? 73  ARG   B CA   1 ? 1 
ATOM   846  C C    . ARG   A 1 61  ? 20.352 -15.518 -14.21  1 65.93  ? 73  ARG   B C    1 ? 1 
ATOM   847  O O    . ARG   A 1 61  ? 21.408 -15.629 -14.836 1 62.543 ? 73  ARG   B O    1 ? 1 
ATOM   848  C CB   . ARG   A 1 61  ? 19.581 -13.288 -15.214 1 65.256 ? 73  ARG   B CB   1 ? 1 
ATOM   849  C CG   . ARG   A 1 61  ? 18.362 -12.536 -15.765 1 63.728 ? 73  ARG   B CG   1 ? 1 
ATOM   850  C CD   . ARG   A 1 61  ? 18.657 -11.118 -16.189 1 64.786 ? 73  ARG   B CD   1 ? 1 
ATOM   851  N NE   . ARG   A 1 61  ? 19.298 -10.402 -15.072 1 63.092 ? 73  ARG   B NE   1 ? 1 
ATOM   852  C CZ   . ARG   A 1 61  ? 18.706 -9.619  -14.188 1 57.395 ? 73  ARG   B CZ   1 ? 1 
ATOM   853  N NH1  . ARG   A 1 61  ? 17.389 -9.532  -14.229 1 51.341 ? 73  ARG   B NH1  1 ? 1 
ATOM   854  N NH2  . ARG   A 1 61  ? 19.443 -8.963  -13.284 1 50.425 ? 73  ARG   B NH2  1 ? 1 
ATOM   855  H H    . ARG   A 1 61  ? 18.318 -14.046 -13.058 1 60.8   ? 73  ARG   B H    1 c 1 
ATOM   856  H HA   . ARG   A 1 61  ? 18.826 -15.181 -15.572 1 66.135 ? 73  ARG   B HA   1 c 1 
ATOM   857  H HB2  . ARG   A 1 61  ? 19.944 -12.803 -14.443 1 62.685 ? 73  ARG   B HB2  1 c 1 
ATOM   858  H HB3  . ARG   A 1 61  ? 20.276 -13.332 -15.905 1 65.223 ? 73  ARG   B HB3  1 c 1 
ATOM   859  H HG2  . ARG   A 1 61  ? 18.007 -13.029 -16.536 1 66.184 ? 73  ARG   B HG2  1 c 1 
ATOM   860  H HG3  . ARG   A 1 61  ? 17.66  -12.518 -15.079 1 63.65  ? 73  ARG   B HG3  1 c 1 
ATOM   861  H HD2  . ARG   A 1 61  ? 19.257 -11.12  -16.962 1 65.314 ? 73  ARG   B HD2  1 c 1 
ATOM   862  H HD3  . ARG   A 1 61  ? 17.828 -10.663 -16.441 1 63.793 ? 73  ARG   B HD3  1 c 1 
ATOM   863  H HE   . ARG   A 1 61  ? 20.159 -10.502 -14.984 1 62.211 ? 73  ARG   B HE   1 c 1 
ATOM   864  H HH11 . ARG   A 1 61  ? 16.897 -10.248 -14.066 1 53.881 ? 73  ARG   B HH11 1 c 1 
ATOM   865  H HH12 . ARG   A 1 61  ? 17.006 -8.758  -14.418 1 52.287 ? 73  ARG   B HH12 1 c 1 
ATOM   866  H HH21 . ARG   A 1 61  ? 20.304 -8.828  -13.429 1 52.286 ? 73  ARG   B HH21 1 c 1 
ATOM   867  H HH22 . ARG   A 1 61  ? 19.063 -8.666  -12.543 1 50.741 ? 73  ARG   B HH22 1 c 1 
ATOM   868  N N    . ASN   A 1 62  ? 20.125 -16.092 -13.023 1 59.248 ? 74  ASN   B N    1 ? 1 
ATOM   869  C CA   . ASN   A 1 62  ? 20.989 -17.138 -12.477 1 63.176 ? 74  ASN   B CA   1 ? 1 
ATOM   870  C C    . ASN   A 1 62  ? 22.434 -16.614 -12.37  1 61.607 ? 74  ASN   B C    1 ? 1 
ATOM   871  O O    . ASN   A 1 62  ? 23.383 -17.377 -12.533 1 70.897 ? 74  ASN   B O    1 ? 1 
ATOM   872  C CB   . ASN   A 1 62  ? 20.824 -18.452 -13.265 1 58.768 ? 74  ASN   B CB   1 ? 1 
ATOM   873  H H    . ASN   A 1 62  ? 19.41  -15.822 -12.525 1 60.122 ? 74  ASN   B H    1 c 1 
ATOM   874  H HA   . ASN   A 1 62  ? 20.679 -17.32  -11.56  1 60.477 ? 74  ASN   B HA   1 c 1 
ATOM   875  H HB2  . ASN   A 1 62  ? 21.709 -18.819 -13.484 0 30     ? 74  ASN   B HB2  1 c 1 
ATOM   876  H HB3  . ASN   A 1 62  ? 19.873 -18.646 -13.38  0 30     ? 74  ASN   B HB3  1 c 1 
ATOM   877  N N    . GLU   A 1 63  ? 22.62  -15.307 -12.156 1 57.993 ? 75  GLU   B N    1 ? 1 
ATOM   878  C CA   . GLU   A 1 63  ? 23.959 -14.755 -11.948 1 56.922 ? 75  GLU   B CA   1 ? 1 
ATOM   879  C C    . GLU   A 1 63  ? 23.839 -13.43  -11.199 1 51.689 ? 75  GLU   B C    1 ? 1 
ATOM   880  O O    . GLU   A 1 63  ? 22.807 -12.739 -11.315 1 49.951 ? 75  GLU   B O    1 ? 1 
ATOM   881  C CB   . GLU   A 1 63  ? 24.747 -14.467 -13.237 1 57.128 ? 75  GLU   B CB   1 ? 1 
ATOM   882  C CG   . GLU   A 1 63  ? 24.154 -13.345 -14.093 1 59.867 ? 75  GLU   B CG   1 ? 1 
ATOM   883  C CD   . GLU   A 1 63  ? 24.758 -13.102 -15.478 1 63.429 ? 75  GLU   B CD   1 ? 1 
ATOM   884  O OE1  . GLU   A 1 63  ? 24.477 -12.012 -16.047 1 60.653 ? 75  GLU   B OE1  1 ? 1 
ATOM   885  O OE2  . GLU   A 1 63  ? 25.475 -13.97  -16.013 1 64.831 ? 75  GLU   B OE2  1 ? 1 
ATOM   886  H H    . GLU   A 1 63  ? 21.901 -14.745 -12.122 1 56.711 ? 75  GLU   B H    1 c 1 
ATOM   887  H HA   . GLU   A 1 63  ? 24.473 -15.392 -11.392 1 57.529 ? 75  GLU   B HA   1 c 1 
ATOM   888  H HB2  . GLU   A 1 63  ? 25.667 -14.227 -12.996 1 58.401 ? 75  GLU   B HB2  1 c 1 
ATOM   889  H HB3  . GLU   A 1 63  ? 24.784 -15.287 -13.772 1 60.259 ? 75  GLU   B HB3  1 c 1 
ATOM   890  H HG2  . GLU   A 1 63  ? 23.196 -13.524 -14.212 1 59.031 ? 75  GLU   B HG2  1 c 1 
ATOM   891  H HG3  . GLU   A 1 63  ? 24.22  -12.505 -13.592 1 57.435 ? 75  GLU   B HG3  1 c 1 
ATOM   892  N N    . PRO   A 1 64  ? 24.89  -12.993 -10.463 1 48.101 ? 76  PRO   B N    1 ? 1 
ATOM   893  C CA   . PRO   A 1 64  ? 24.847 -11.694 -9.788  1 46.484 ? 76  PRO   B CA   1 ? 1 
ATOM   894  C C    . PRO   A 1 64  ? 24.834 -10.527 -10.787 1 52.21  ? 76  PRO   B C    1 ? 1 
ATOM   895  O O    . PRO   A 1 64  ? 25.271 -10.656 -11.964 1 46.745 ? 76  PRO   B O    1 ? 1 
ATOM   896  C CB   . PRO   A 1 64  ? 26.128 -11.605 -8.964  1 49.103 ? 76  PRO   B CB   1 ? 1 
ATOM   897  C CG   . PRO   A 1 64  ? 26.711 -12.996 -8.968  1 52.919 ? 76  PRO   B CG   1 ? 1 
ATOM   898  C CD   . PRO   A 1 64  ? 26.151 -13.705 -10.212 1 55.255 ? 76  PRO   B CD   1 ? 1 
ATOM   899  H HA   . PRO   A 1 64  ? 24.057 -11.65  -9.194  1 46.778 ? 76  PRO   B HA   1 c 1 
ATOM   900  H HB2  . PRO   A 1 64  ? 26.76  -10.962 -9.365  1 48.907 ? 76  PRO   B HB2  1 c 1 
ATOM   901  H HB3  . PRO   A 1 64  ? 25.93  -11.313 -8.044  1 47.825 ? 76  PRO   B HB3  1 c 1 
ATOM   902  H HG2  . PRO   A 1 64  ? 27.69  -12.957 -9.009  1 53.878 ? 76  PRO   B HG2  1 c 1 
ATOM   903  H HG3  . PRO   A 1 64  ? 26.454 -13.478 -8.155  1 52.921 ? 76  PRO   B HG3  1 c 1 
ATOM   904  H HD2  . PRO   A 1 64  ? 26.766 -13.619 -10.975 1 54.786 ? 76  PRO   B HD2  1 c 1 
ATOM   905  H HD3  . PRO   A 1 64  ? 25.994 -14.658 -10.03  1 55.093 ? 76  PRO   B HD3  1 c 1 
ATOM   906  N N    . PHE   A 1 65  ? 24.311 -9.4    -10.293 1 44.049 ? 77  PHE   B N    1 ? 1 
ATOM   907  C CA   . PHE   A 1 65  ? 24.279 -8.152  -11.037 1 42.87  ? 77  PHE   B CA   1 ? 1 
ATOM   908  C C    . PHE   A 1 65  ? 25.497 -7.326  -10.628 1 43.478 ? 77  PHE   B C    1 ? 1 
ATOM   909  O O    . PHE   A 1 65  ? 25.749 -7.106  -9.449  1 40.394 ? 77  PHE   B O    1 ? 1 
ATOM   910  C CB   . PHE   A 1 65  ? 22.995 -7.352  -10.812 1 41.58  ? 77  PHE   B CB   1 ? 1 
ATOM   911  C CG   . PHE   A 1 65  ? 22.952 -6.015  -11.543 1 42.762 ? 77  PHE   B CG   1 ? 1 
ATOM   912  C CD1  . PHE   A 1 65  ? 22.883 -5.965  -12.938 1 44.245 ? 77  PHE   B CD1  1 ? 1 
ATOM   913  C CD2  . PHE   A 1 65  ? 23.098 -4.82   -10.854 1 45.026 ? 77  PHE   B CD2  1 ? 1 
ATOM   914  C CE1  . PHE   A 1 65  ? 22.899 -4.759  -13.607 1 38.106 ? 77  PHE   B CE1  1 ? 1 
ATOM   915  C CE2  . PHE   A 1 65  ? 23.105 -3.601  -11.518 1 45.851 ? 77  PHE   B CE2  1 ? 1 
ATOM   916  C CZ   . PHE   A 1 65  ? 22.986 -3.568  -12.904 1 42.024 ? 77  PHE   B CZ   1 ? 1 
ATOM   917  H H    . PHE   A 1 65  ? 23.957 -9.411  -9.45   1 44.486 ? 77  PHE   B H    1 c 1 
ATOM   918  H HA   . PHE   A 1 65  ? 24.348 -8.362  -12.005 1 44.202 ? 77  PHE   B HA   1 c 1 
ATOM   919  H HB2  . PHE   A 1 65  ? 22.234 -7.899  -11.106 1 42.161 ? 77  PHE   B HB2  1 c 1 
ATOM   920  H HB3  . PHE   A 1 65  ? 22.894 -7.19   -9.847  1 41.028 ? 77  PHE   B HB3  1 c 1 
ATOM   921  H HD1  . PHE   A 1 65  ? 22.809 -6.769  -13.428 1 43.857 ? 77  PHE   B HD1  1 c 1 
ATOM   922  H HD2  . PHE   A 1 65  ? 23.163 -4.835  -9.913  1 43.66  ? 77  PHE   B HD2  1 c 1 
ATOM   923  H HE1  . PHE   A 1 65  ? 22.816 -4.744  -14.547 1 41.524 ? 77  PHE   B HE1  1 c 1 
ATOM   924  H HE2  . PHE   A 1 65  ? 23.172 -2.797  -11.028 1 43.447 ? 77  PHE   B HE2  1 c 1 
ATOM   925  H HZ   . PHE   A 1 65  ? 22.997 -2.743  -13.364 1 41.646 ? 77  PHE   B HZ   1 c 1 
ATOM   926  N N    . VAL   A 1 66  ? 26.311 -6.956  -11.61  1 41.939 ? 78  VAL   B N    1 ? 1 
ATOM   927  C CA   . VAL   A 1 66  ? 27.536 -6.219  -11.36  1 44.079 ? 78  VAL   B CA   1 ? 1 
ATOM   928  C C    . VAL   A 1 66  ? 27.482 -4.803  -11.928 1 48.474 ? 78  VAL   B C    1 ? 1 
ATOM   929  O O    . VAL   A 1 66  ? 27.051 -4.638  -13.067 1 50.444 ? 78  VAL   B O    1 ? 1 
ATOM   930  C CB   . VAL   A 1 66  ? 28.658 -7.062  -11.983 1 51.358 ? 78  VAL   B CB   1 ? 1 
ATOM   931  C CG1  . VAL   A 1 66  ? 30.009 -6.346  -11.954 1 53.902 ? 78  VAL   B CG1  1 ? 1 
ATOM   932  C CG2  . VAL   A 1 66  ? 28.729 -8.457  -11.339 1 56.601 ? 78  VAL   B CG2  1 ? 1 
ATOM   933  H H    . VAL   A 1 66  ? 26.096 -7.168  -12.473 1 43.677 ? 78  VAL   B H    1 c 1 
ATOM   934  H HA   . VAL   A 1 66  ? 27.681 -6.168  -10.399 1 44.866 ? 78  VAL   B HA   1 c 1 
ATOM   935  H HB   . VAL   A 1 66  ? 28.421 -7.194  -12.931 1 51.991 ? 78  VAL   B HB   1 c 1 
ATOM   936  H HG11 . VAL   A 1 66  ? 30.147 -5.948  -11.078 1 52.702 ? 78  VAL   B HG11 1 c 1 
ATOM   937  H HG12 . VAL   A 1 66  ? 30.022 -5.648  -12.631 1 53.54  ? 78  VAL   B HG12 1 c 1 
ATOM   938  H HG13 . VAL   A 1 66  ? 30.719 -6.983  -12.135 1 55.291 ? 78  VAL   B HG13 1 c 1 
ATOM   939  H HG21 . VAL   A 1 66  ? 29.581 -8.872  -11.554 1 57.012 ? 78  VAL   B HG21 1 c 1 
ATOM   940  H HG22 . VAL   A 1 66  ? 28.006 -9.01   -11.68  1 55.187 ? 78  VAL   B HG22 1 c 1 
ATOM   941  H HG23 . VAL   A 1 66  ? 28.644 -8.373  -10.374 1 54.375 ? 78  VAL   B HG23 1 c 1 
ATOM   942  N N    . PHE   A 1 67  ? 27.977 -3.818  -11.163 1 46.166 ? 79  PHE   B N    1 ? 1 
ATOM   943  C CA   . PHE   A 1 67  ? 28.059 -2.432  -11.632 1 42.158 ? 79  PHE   B CA   1 ? 1 
ATOM   944  C C    . PHE   A 1 67  ? 29.148 -1.664  -10.87  1 44.467 ? 79  PHE   B C    1 ? 1 
ATOM   945  O O    . PHE   A 1 67  ? 29.594 -2.107  -9.821  1 43.172 ? 79  PHE   B O    1 ? 1 
ATOM   946  C CB   . PHE   A 1 67  ? 26.761 -1.636  -11.452 1 41.21  ? 79  PHE   B CB   1 ? 1 
ATOM   947  C CG   . PHE   A 1 67  ? 26.404 -1.32   -10.013 1 37.11  ? 79  PHE   B CG   1 ? 1 
ATOM   948  C CD1  . PHE   A 1 67  ? 25.844 -2.29   -9.184  1 40.51  ? 79  PHE   B CD1  1 ? 1 
ATOM   949  C CD2  . PHE   A 1 67  ? 26.509 -0.022  -9.539  1 39.425 ? 79  PHE   B CD2  1 ? 1 
ATOM   950  C CE1  . PHE   A 1 67  ? 25.475 -1.973  -7.875  1 38.138 ? 79  PHE   B CE1  1 ? 1 
ATOM   951  C CE2  . PHE   A 1 67  ? 26.164 0.275   -8.233  1 35.731 ? 79  PHE   B CE2  1 ? 1 
ATOM   952  C CZ   . PHE   A 1 67  ? 25.614 -0.705  -7.425  1 38.012 ? 79  PHE   B CZ   1 ? 1 
ATOM   953  H H    . PHE   A 1 67  ? 28.274 -4.014  -10.321 1 45.519 ? 79  PHE   B H    1 c 1 
ATOM   954  H HA   . PHE   A 1 67  ? 28.294 -2.438  -12.598 1 44.53  ? 79  PHE   B HA   1 c 1 
ATOM   955  H HB2  . PHE   A 1 67  ? 26.843 -0.793  -11.951 1 40.536 ? 79  PHE   B HB2  1 c 1 
ATOM   956  H HB3  . PHE   A 1 67  ? 26.025 -2.149  -11.854 1 40.077 ? 79  PHE   B HB3  1 c 1 
ATOM   957  H HD1  . PHE   A 1 67  ? 25.737 -3.172  -9.502  1 39.757 ? 79  PHE   B HD1  1 c 1 
ATOM   958  H HD2  . PHE   A 1 67  ? 26.876 0.649   -10.091 1 38.797 ? 79  PHE   B HD2  1 c 1 
ATOM   959  H HE1  . PHE   A 1 67  ? 25.118 -2.64   -7.311  1 38.188 ? 79  PHE   B HE1  1 c 1 
ATOM   960  H HE2  . PHE   A 1 67  ? 26.255 1.157   -7.911  1 36.789 ? 79  PHE   B HE2  1 c 1 
ATOM   961  H HZ   . PHE   A 1 67  ? 25.378 -0.498  -6.534  1 36.565 ? 79  PHE   B HZ   1 c 1 
ATOM   962  N N    . SER   A 1 68  ? 29.604 -0.534  -11.444 1 47.699 ? 80  SER   B N    1 ? 1 
ATOM   963  C CA   . SER   A 1 68  ? 30.618 0.322   -10.857 1 46.941 ? 80  SER   B CA   1 ? 1 
ATOM   964  C C    . SER   A 1 68  ? 29.9   1.423   -10.078 1 44.863 ? 80  SER   B C    1 ? 1 
ATOM   965  O O    . SER   A 1 68  ? 29.051 2.09    -10.622 1 43.432 ? 80  SER   B O    1 ? 1 
ATOM   966  C CB   . SER   A 1 68  ? 31.545 0.93    -11.902 1 51.055 ? 80  SER   B CB   1 ? 1 
ATOM   967  O OG   . SER   A 1 68  ? 32.247 -0.079  -12.617 1 54.657 ? 80  SER   B OG   1 ? 1 
ATOM   968  H H    . SER   A 1 68  ? 29.254 -0.291  -12.252 1 46.737 ? 80  SER   B H    1 c 1 
ATOM   969  H HA   . SER   A 1 68  ? 31.159 -0.214  -10.227 1 48.166 ? 80  SER   B HA   1 c 1 
ATOM   970  H HB2  . SER   A 1 68  ? 31.019 1.464   -12.527 1 50.591 ? 80  SER   B HB2  1 c 1 
ATOM   971  H HB3  . SER   A 1 68  ? 32.185 1.52    -11.461 1 51.734 ? 80  SER   B HB3  1 c 1 
ATOM   972  H HG   . SER   A 1 68  ? 32.769 0.285   -13.17  0 30     ? 80  SER   B HG   1 c 1 
ATOM   973  N N    . LEU   A 1 69  ? 30.223 1.609   -8.805  1 50.766 ? 81  LEU   B N    1 ? 1 
ATOM   974  C CA   . LEU   A 1 69  ? 29.476 2.53    -7.958  1 43.396 ? 81  LEU   B CA   1 ? 1 
ATOM   975  C C    . LEU   A 1 69  ? 29.748 3.988   -8.307  1 48.907 ? 81  LEU   B C    1 ? 1 
ATOM   976  O O    . LEU   A 1 69  ? 30.906 4.428   -8.536  1 44.665 ? 81  LEU   B O    1 ? 1 
ATOM   977  C CB   . LEU   A 1 69  ? 29.835 2.205   -6.504  1 50.842 ? 81  LEU   B CB   1 ? 1 
ATOM   978  C CG   . LEU   A 1 69  ? 29.084 2.996   -5.421  1 51.085 ? 81  LEU   B CG   1 ? 1 
ATOM   979  C CD1  . LEU   A 1 69  ? 27.651 2.585   -5.311  1 49.142 ? 81  LEU   B CD1  1 ? 1 
ATOM   980  C CD2  . LEU   A 1 69  ? 29.658 2.833   -4.023  1 56.354 ? 81  LEU   B CD2  1 ? 1 
ATOM   981  H H    . LEU   A 1 69  ? 30.932 1.156   -8.448  1 48.831 ? 81  LEU   B H    1 c 1 
ATOM   982  H HA   . LEU   A 1 69  ? 28.511 2.35    -8.094  1 45.321 ? 81  LEU   B HA   1 c 1 
ATOM   983  H HB2  . LEU   A 1 69  ? 29.67  1.245   -6.356  1 49.039 ? 81  LEU   B HB2  1 c 1 
ATOM   984  H HB3  . LEU   A 1 69  ? 30.8   2.359   -6.386  1 50.813 ? 81  LEU   B HB3  1 c 1 
ATOM   985  H HG   . LEU   A 1 69  ? 29.114 3.959   -5.657  1 51.821 ? 81  LEU   B HG   1 c 1 
ATOM   986  H HD11 . LEU   A 1 69  ? 27.194 2.778   -6.146  1 48.624 ? 81  LEU   B HD11 1 c 1 
ATOM   987  H HD12 . LEU   A 1 69  ? 27.226 3.076   -4.589  1 48.41  ? 81  LEU   B HD12 1 c 1 
ATOM   988  H HD13 . LEU   A 1 69  ? 27.6   1.632   -5.128  1 49.009 ? 81  LEU   B HD13 1 c 1 
ATOM   989  H HD21 . LEU   A 1 69  ? 30.628 2.833   -4.068  1 56.303 ? 81  LEU   B HD21 1 c 1 
ATOM   990  H HD22 . LEU   A 1 69  ? 29.352 1.993   -3.644  1 54.236 ? 81  LEU   B HD22 1 c 1 
ATOM   991  H HD23 . LEU   A 1 69  ? 29.36  3.568   -3.461  1 54.43  ? 81  LEU   B HD23 1 c 1 
ATOM   992  N N    . GLY   A 1 70  ? 28.645 4.735   -8.343  1 50.358 ? 82  GLY   B N    1 ? 1 
ATOM   993  C CA   . GLY   A 1 70  ? 28.641 6.167   -8.572  1 54.855 ? 82  GLY   B CA   1 ? 1 
ATOM   994  C C    . GLY   A 1 70  ? 29.07  6.603   -9.968  1 55.312 ? 82  GLY   B C    1 ? 1 
ATOM   995  O O    . GLY   A 1 70  ? 29.571 7.714   -10.09  1 58.255 ? 82  GLY   B O    1 ? 1 
ATOM   996  H H    . GLY   A 1 70  ? 27.841 4.321   -8.214  1 49.018 ? 82  GLY   B H    1 c 1 
ATOM   997  H HA2  . GLY   A 1 70  ? 27.737 6.51    -8.396  1 52.255 ? 82  GLY   B HA2  1 c 1 
ATOM   998  H HA3  . GLY   A 1 70  ? 29.244 6.586   -7.913  1 54.342 ? 82  GLY   B HA3  1 c 1 
ATOM   999  N N    . LYS   A 1 71  ? 28.974 5.717   -10.984 1 55.146 ? 83  LYS   B N    1 ? 1 
ATOM   1000 C CA   . LYS   A 1 71  ? 29.422 5.976   -12.346 1 55.508 ? 83  LYS   B CA   1 ? 1 
ATOM   1001 C C    . LYS   A 1 71  ? 28.204 6.207   -13.267 1 57.3   ? 83  LYS   B C    1 ? 1 
ATOM   1002 O O    . LYS   A 1 71  ? 28.339 6.172   -14.492 1 68.215 ? 83  LYS   B O    1 ? 1 
ATOM   1003 C CB   . LYS   A 1 71  ? 30.387 4.872   -12.834 1 52.915 ? 83  LYS   B CB   1 ? 1 
ATOM   1004 H H    . LYS   A 1 71  ? 28.595 4.904   -10.809 1 53.904 ? 83  LYS   B H    1 c 1 
ATOM   1005 H HA   . LYS   A 1 71  ? 29.945 6.818   -12.334 1 56.628 ? 83  LYS   B HA   1 c 1 
ATOM   1006 H HB2  . LYS   A 1 71  ? 31.294 5.192   -12.687 0 30     ? 83  LYS   B HB2  1 c 1 
ATOM   1007 H HB3  . LYS   A 1 71  ? 29.839 4.138   -13.164 0 30     ? 83  LYS   B HB3  1 c 1 
ATOM   1008 N N    . GLY   A 1 72  ? 27.02  6.47    -12.68  1 58.741 ? 84  GLY   B N    1 ? 1 
ATOM   1009 C CA   . GLY   A 1 72  ? 25.777 6.632   -13.425 1 62.254 ? 84  GLY   B CA   1 ? 1 
ATOM   1010 C C    . GLY   A 1 72  ? 25.315 5.372   -14.174 1 55.691 ? 84  GLY   B C    1 ? 1 
ATOM   1011 O O    . GLY   A 1 72  ? 24.603 5.489   -15.16  1 53.584 ? 84  GLY   B O    1 ? 1 
ATOM   1012 H H    . GLY   A 1 72  ? 26.989 6.558   -11.771 1 57.944 ? 84  GLY   B H    1 c 1 
ATOM   1013 H HA2  . GLY   A 1 72  ? 25.069 6.907   -12.796 1 58.522 ? 84  GLY   B HA2  1 c 1 
ATOM   1014 H HA3  . GLY   A 1 72  ? 25.895 7.364   -14.074 1 60.817 ? 84  GLY   B HA3  1 c 1 
ATOM   1015 N N    . GLN   A 1 73  ? 25.689 4.156   -13.726 1 47.126 ? 85  GLN   B N    1 ? 1 
ATOM   1016 C CA   . GLN   A 1 73  ? 25.346 2.922   -14.413 1 43.108 ? 85  GLN   B CA   1 ? 1 
ATOM   1017 C C    . GLN   A 1 73  ? 23.984 2.421   -13.947 1 40.625 ? 85  GLN   B C    1 ? 1 
ATOM   1018 O O    . GLN   A 1 73  ? 23.354 1.587   -14.605 1 41.598 ? 85  GLN   B O    1 ? 1 
ATOM   1019 C CB   . GLN   A 1 73  ? 26.382 1.796   -14.25  1 45.934 ? 85  GLN   B CB   1 ? 1 
ATOM   1020 C CG   . GLN   A 1 73  ? 27.677 2.076   -15.016 1 48.726 ? 85  GLN   B CG   1 ? 1 
ATOM   1021 C CD   . GLN   A 1 73  ? 28.784 1.128   -14.626 1 49.59  ? 85  GLN   B CD   1 ? 1 
ATOM   1022 O OE1  . GLN   A 1 73  ? 28.558 0.122   -13.952 1 50.194 ? 85  GLN   B OE1  1 ? 1 
ATOM   1023 N NE2  . GLN   A 1 73  ? 29.985 1.428   -15.096 1 58.167 ? 85  GLN   B NE2  1 ? 1 
ATOM   1024 H H    . GLN   A 1 73  ? 26.184 4.103   -12.959 1 47.693 ? 85  GLN   B H    1 c 1 
ATOM   1025 H HA   . GLN   A 1 73  ? 25.282 3.121   -15.382 1 45.153 ? 85  GLN   B HA   1 c 1 
ATOM   1026 H HB2  . GLN   A 1 73  ? 26.587 1.69    -13.298 1 44.934 ? 85  GLN   B HB2  1 c 1 
ATOM   1027 H HB3  . GLN   A 1 73  ? 25.994 0.955   -14.571 1 45.578 ? 85  GLN   B HB3  1 c 1 
ATOM   1028 H HG2  . GLN   A 1 73  ? 27.51  1.993   -15.979 1 49.429 ? 85  GLN   B HG2  1 c 1 
ATOM   1029 H HG3  . GLN   A 1 73  ? 27.968 2.996   -14.84  1 48.77  ? 85  GLN   B HG3  1 c 1 
ATOM   1030 H HE21 . GLN   A 1 73  ? 30.676 0.904   -14.907 1 56.986 ? 85  GLN   B HE21 1 c 1 
ATOM   1031 H HE22 . GLN   A 1 73  ? 30.099 2.15    -15.597 1 56.749 ? 85  GLN   B HE22 1 c 1 
ATOM   1032 N N    . VAL   A 1 74  ? 23.574 2.878   -12.781 1 35.996 ? 86  VAL   B N    1 ? 1 
ATOM   1033 C CA   . VAL   A 1 74  ? 22.35  2.49    -12.125 1 32.888 ? 86  VAL   B CA   1 ? 1 
ATOM   1034 C C    . VAL   A 1 74  ? 21.661 3.758   -11.657 1 31.32  ? 86  VAL   B C    1 ? 1 
ATOM   1035 O O    . VAL   A 1 74  ? 22.314 4.816   -11.674 1 32.575 ? 86  VAL   B O    1 ? 1 
ATOM   1036 C CB   . VAL   A 1 74  ? 22.641 1.573   -10.929 1 35.031 ? 86  VAL   B CB   1 ? 1 
ATOM   1037 C CG1  . VAL   A 1 74  ? 23.008 0.175   -11.374 1 37.399 ? 86  VAL   B CG1  1 ? 1 
ATOM   1038 C CG2  . VAL   A 1 74  ? 23.722 2.193   -10.034 1 37.841 ? 86  VAL   B CG2  1 ? 1 
ATOM   1039 H H    . VAL   A 1 74  ? 24.102 3.489   -12.354 1 36.658 ? 86  VAL   B H    1 c 1 
ATOM   1040 H HA   . VAL   A 1 74  ? 21.773 2.023   -12.761 1 33.772 ? 86  VAL   B HA   1 c 1 
ATOM   1041 H HB   . VAL   A 1 74  ? 21.812 1.509   -10.4   1 34.248 ? 86  VAL   B HB   1 c 1 
ATOM   1042 H HG11 . VAL   A 1 74  ? 23.803 0.21    -11.932 1 37.991 ? 86  VAL   B HG11 1 c 1 
ATOM   1043 H HG12 . VAL   A 1 74  ? 22.273 -0.208  -11.882 1 36.937 ? 86  VAL   B HG12 1 c 1 
ATOM   1044 H HG13 . VAL   A 1 74  ? 23.185 -0.378  -10.595 1 36.671 ? 86  VAL   B HG13 1 c 1 
ATOM   1045 H HG21 . VAL   A 1 74  ? 23.764 1.706   -9.194  1 36.593 ? 86  VAL   B HG21 1 c 1 
ATOM   1046 H HG22 . VAL   A 1 74  ? 23.508 3.123   -9.857  1 36.705 ? 86  VAL   B HG22 1 c 1 
ATOM   1047 H HG23 . VAL   A 1 74  ? 24.584 2.139   -10.48  1 38.057 ? 86  VAL   B HG23 1 c 1 
ATOM   1048 N N    . ILE   A 1 75  ? 20.413 3.616   -11.116 1 30.5   ? 87  ILE   B N    1 ? 1 
ATOM   1049 C CA   . ILE   A 1 75  ? 19.678 4.767   -10.651 1 30.337 ? 87  ILE   B CA   1 ? 1 
ATOM   1050 C C    . ILE   A 1 75  ? 20.39  5.412   -9.455  1 32.853 ? 87  ILE   B C    1 ? 1 
ATOM   1051 O O    . ILE   A 1 75  ? 21.125 4.722   -8.755  1 31.683 ? 87  ILE   B O    1 ? 1 
ATOM   1052 C CB   . ILE   A 1 75  ? 18.204 4.436   -10.311 1 32.322 ? 87  ILE   B CB   1 ? 1 
ATOM   1053 C CG1  . ILE   A 1 75  ? 18.051 3.194   -9.401  1 28.55  ? 87  ILE   B CG1  1 ? 1 
ATOM   1054 C CG2  . ILE   A 1 75  ? 17.33  4.312   -11.595 1 31.442 ? 87  ILE   B CG2  1 ? 1 
ATOM   1055 C CD1  . ILE   A 1 75  ? 16.66  3.052   -8.773  1 29.868 ? 87  ILE   B CD1  1 ? 1 
ATOM   1056 H H    . ILE   A 1 75  ? 20.034 2.787   -11.059 1 30.364 ? 87  ILE   B H    1 c 1 
ATOM   1057 H HA   . ILE   A 1 75  ? 19.67  5.419   -11.378 1 31.887 ? 87  ILE   B HA   1 c 1 
ATOM   1058 H HB   . ILE   A 1 75  ? 17.858 5.196   -9.805  1 30.624 ? 87  ILE   B HB   1 c 1 
ATOM   1059 H HG12 . ILE   A 1 75  ? 18.238 2.391   -9.929  1 30.017 ? 87  ILE   B HG12 1 c 1 
ATOM   1060 H HG13 . ILE   A 1 75  ? 18.716 3.243   -8.684  1 29.408 ? 87  ILE   B HG13 1 c 1 
ATOM   1061 H HG21 . ILE   A 1 75  ? 16.394 4.23    -11.347 1 31.625 ? 87  ILE   B HG21 1 c 1 
ATOM   1062 H HG22 . ILE   A 1 75  ? 17.6   3.526   -12.099 1 32.29  ? 87  ILE   B HG22 1 c 1 
ATOM   1063 H HG23 . ILE   A 1 75  ? 17.448 5.104   -12.147 1 32.449 ? 87  ILE   B HG23 1 c 1 
ATOM   1064 H HD11 . ILE   A 1 75  ? 16.419 3.883   -8.32   1 29.087 ? 87  ILE   B HD11 1 c 1 
ATOM   1065 H HD12 . ILE   A 1 75  ? 16.667 2.322   -8.126  1 29.053 ? 87  ILE   B HD12 1 c 1 
ATOM   1066 H HD13 . ILE   A 1 75  ? 16.003 2.861   -9.469  1 29.71  ? 87  ILE   B HD13 1 c 1 
ATOM   1067 N N    . LYS   A 1 76  ? 20.28  6.759   -9.315  1 29.777 ? 88  LYS   B N    1 ? 1 
ATOM   1068 C CA   . LYS   A 1 76  ? 20.84  7.519   -8.179  1 35.256 ? 88  LYS   B CA   1 ? 1 
ATOM   1069 C C    . LYS   A 1 76  ? 20.611 6.801   -6.857  1 32.951 ? 88  LYS   B C    1 ? 1 
ATOM   1070 O O    . LYS   A 1 76  ? 21.575 6.676   -6.103  1 31.171 ? 88  LYS   B O    1 ? 1 
ATOM   1071 C CB   . LYS   A 1 76  ? 20.257 8.947   -8.13   1 38.804 ? 88  LYS   B CB   1 ? 1 
ATOM   1072 H H    . LYS   A 1 76  ? 19.834 7.223   -9.965  1 32.062 ? 88  LYS   B H    1 c 1 
ATOM   1073 H HA   . LYS   A 1 76  ? 21.818 7.598   -8.321  1 35.062 ? 88  LYS   B HA   1 c 1 
ATOM   1074 H HB2  . LYS   A 1 76  ? 20.996 9.586   -8.1    0 30     ? 88  LYS   B HB2  1 c 1 
ATOM   1075 H HB3  . LYS   A 1 76  ? 19.275 8.885   -8.127  0 30     ? 88  LYS   B HB3  1 c 1 
ATOM   1076 N N    . ALA   A 1 77  ? 19.4   6.25    -6.598  1 34.639 ? 89  ALA   B N    1 ? 1 
ATOM   1077 C CA   . ALA   A 1 77  ? 19.123 5.607   -5.294  1 36     ? 89  ALA   B CA   1 ? 1 
ATOM   1078 C C    . ALA   A 1 77  ? 19.981 4.382   -4.997  1 30.048 ? 89  ALA   B C    1 ? 1 
ATOM   1079 O O    . ALA   A 1 77  ? 20.412 4.144   -3.875  1 29.026 ? 89  ALA   B O    1 ? 1 
ATOM   1080 C CB   . ALA   A 1 77  ? 17.665 5.301   -5.154  1 30.412 ? 89  ALA   B CB   1 ? 1 
ATOM   1081 H H    . ALA   A 1 77  ? 18.741 6.278   -7.231  1 34.347 ? 89  ALA   B H    1 c 1 
ATOM   1082 H HA   . ALA   A 1 77  ? 19.349 6.282   -4.595  1 33.541 ? 89  ALA   B HA   1 c 1 
ATOM   1083 H HB1  . ALA   A 1 77  ? 17.156 6.127   -5.141  1 31.938 ? 89  ALA   B HB1  1 c 1 
ATOM   1084 H HB2  . ALA   A 1 77  ? 17.373 4.756   -5.904  1 31.854 ? 89  ALA   B HB2  1 c 1 
ATOM   1085 H HB3  . ALA   A 1 77  ? 17.511 4.816   -4.326  1 31.568 ? 89  ALA   B HB3  1 c 1 
ATOM   1086 N N    . TRP   A 1 78  ? 20.463 3.668   -6.01   1 30.099 ? 90  TRP   B N    1 ? 1 
ATOM   1087 C CA   . TRP   A 1 78  ? 21.41  2.591   -5.803  1 30.517 ? 90  TRP   B CA   1 ? 1 
ATOM   1088 C C    . TRP   A 1 78  ? 22.814 3.143   -5.502  1 33.683 ? 90  TRP   B C    1 ? 1 
ATOM   1089 O O    . TRP   A 1 78  ? 23.517 2.503   -4.699  1 33.034 ? 90  TRP   B O    1 ? 1 
ATOM   1090 C CB   . TRP   A 1 78  ? 21.429 1.639   -7.023  1 31.468 ? 90  TRP   B CB   1 ? 1 
ATOM   1091 C CG   . TRP   A 1 78  ? 20.383 0.541   -6.968  1 29.117 ? 90  TRP   B CG   1 ? 1 
ATOM   1092 C CD1  . TRP   A 1 78  ? 19.07  0.518   -6.584  1 32.605 ? 90  TRP   B CD1  1 ? 1 
ATOM   1093 C CD2  . TRP   A 1 78  ? 20.735 -0.846  -7.181  1 28.936 ? 90  TRP   B CD2  1 ? 1 
ATOM   1094 N NE1  . TRP   A 1 78  ? 18.563 -0.752  -6.652  1 30.991 ? 90  TRP   B NE1  1 ? 1 
ATOM   1095 C CE2  . TRP   A 1 78  ? 19.559 -1.618  -6.988  1 33.568 ? 90  TRP   B CE2  1 ? 1 
ATOM   1096 C CE3  . TRP   A 1 78  ? 21.903 -1.484  -7.547  1 32.931 ? 90  TRP   B CE3  1 ? 1 
ATOM   1097 C CZ2  . TRP   A 1 78  ? 19.525 -2.998  -7.186  1 30.897 ? 90  TRP   B CZ2  1 ? 1 
ATOM   1098 C CZ3  . TRP   A 1 78  ? 21.859 -2.86   -7.699  1 36.082 ? 90  TRP   B CZ3  1 ? 1 
ATOM   1099 C CH2  . TRP   A 1 78  ? 20.703 -3.61   -7.458  1 30.443 ? 90  TRP   B CH2  1 ? 1 
ATOM   1100 H H    . TRP   A 1 78  ? 20.189 3.856   -6.861  1 30.392 ? 90  TRP   B H    1 c 1 
ATOM   1101 H HA   . TRP   A 1 78  ? 21.109 2.065   -5.014  1 30.68  ? 90  TRP   B HA   1 c 1 
ATOM   1102 H HB2  . TRP   A 1 78  ? 21.291 2.169   -7.837  1 31.086 ? 90  TRP   B HB2  1 c 1 
ATOM   1103 H HB3  . TRP   A 1 78  ? 22.318 1.228   -7.083  1 31.522 ? 90  TRP   B HB3  1 c 1 
ATOM   1104 H HD1  . TRP   A 1 78  ? 18.556 1.283   -6.381  1 30.778 ? 90  TRP   B HD1  1 c 1 
ATOM   1105 H HE1  . TRP   A 1 78  ? 17.741 -0.972  -6.477  1 31.692 ? 90  TRP   B HE1  1 c 1 
ATOM   1106 H HE3  . TRP   A 1 78  ? 22.7   -1.002  -7.682  1 33.078 ? 90  TRP   B HE3  1 c 1 
ATOM   1107 H HZ2  . TRP   A 1 78  ? 18.744 -3.495  -7.011  1 31.363 ? 90  TRP   B HZ2  1 c 1 
ATOM   1108 H HZ3  . TRP   A 1 78  ? 22.653 -3.314  -7.929  1 34.967 ? 90  TRP   B HZ3  1 c 1 
ATOM   1109 H HH2  . TRP   A 1 78  ? 20.716 -4.54   -7.6    1 32.673 ? 90  TRP   B HH2  1 c 1 
ATOM   1110 N N    . ASP   A 1 79  ? 23.259 4.202   -6.229  1 32.039 ? 91  ASP   B N    1 ? 1 
ATOM   1111 C CA   . ASP   A 1 79  ? 24.57  4.795   -6.017  1 34.63  ? 91  ASP   B CA   1 ? 1 
ATOM   1112 C C    . ASP   A 1 79  ? 24.639 5.259   -4.567  1 33.631 ? 91  ASP   B C    1 ? 1 
ATOM   1113 O O    . ASP   A 1 79  ? 25.631 5.011   -3.872  1 37.189 ? 91  ASP   B O    1 ? 1 
ATOM   1114 C CB   . ASP   A 1 79  ? 24.894 5.87    -7.048  1 38.502 ? 91  ASP   B CB   1 ? 1 
ATOM   1115 C CG   . ASP   A 1 79  ? 25.401 5.338   -8.383  1 34.453 ? 91  ASP   B CG   1 ? 1 
ATOM   1116 O OD1  . ASP   A 1 79  ? 25.913 4.176   -8.409  1 35.603 ? 91  ASP   B OD1  1 ? 1 
ATOM   1117 O OD2  . ASP   A 1 79  ? 25.397 6.11    -9.323  1 39.785 ? 91  ASP   B OD2  1 ? 1 
ATOM   1118 H H    . ASP   A 1 79  ? 22.72  4.553   -6.878  1 32.749 ? 91  ASP   B H    1 c 1 
ATOM   1119 H HA   . ASP   A 1 79  ? 25.239 4.085   -6.13   1 35.307 ? 91  ASP   B HA   1 c 1 
ATOM   1120 H HB2  . ASP   A 1 79  ? 24.09  6.404   -7.215  1 36.069 ? 91  ASP   B HB2  1 c 1 
ATOM   1121 H HB3  . ASP   A 1 79  ? 25.579 6.466   -6.678  1 37.395 ? 91  ASP   B HB3  1 c 1 
ATOM   1122 N N    . ILE   A 1 80  ? 23.526 5.806   -4.084  1 29.5   ? 92  ILE   B N    1 ? 1 
ATOM   1123 C CA   . ILE   A 1 80  ? 23.46  6.268   -2.698  1 31.432 ? 92  ILE   B CA   1 ? 1 
ATOM   1124 C C    . ILE   A 1 80  ? 23.343 5.111   -1.702  1 32.251 ? 92  ILE   B C    1 ? 1 
ATOM   1125 O O    . ILE   A 1 80  ? 24.107 5.107   -0.705  1 29.738 ? 92  ILE   B O    1 ? 1 
ATOM   1126 C CB   . ILE   A 1 80  ? 22.265 7.24    -2.536  1 30.796 ? 92  ILE   B CB   1 ? 1 
ATOM   1127 C CG1  . ILE   A 1 80  ? 22.468 8.507   -3.315  1 30.806 ? 92  ILE   B CG1  1 ? 1 
ATOM   1128 C CG2  . ILE   A 1 80  ? 22.007 7.63    -1.091  1 30.459 ? 92  ILE   B CG2  1 ? 1 
ATOM   1129 C CD1  . ILE   A 1 80  ? 21.156 9.288   -3.49   1 36.784 ? 92  ILE   B CD1  1 ? 1 
ATOM   1130 H H    . ILE   A 1 80  ? 22.795 5.909   -4.622  1 30.216 ? 92  ILE   B H    1 c 1 
ATOM   1131 H HA   . ILE   A 1 80  ? 24.28  6.762   -2.501  1 32.191 ? 92  ILE   B HA   1 c 1 
ATOM   1132 H HB   . ILE   A 1 80  ? 21.465 6.796   -2.88   1 29.892 ? 92  ILE   B HB   1 c 1 
ATOM   1133 H HG12 . ILE   A 1 80  ? 23.118 9.071   -2.848  1 33.128 ? 92  ILE   B HG12 1 c 1 
ATOM   1134 H HG13 . ILE   A 1 80  ? 22.832 8.289   -4.197  1 32.498 ? 92  ILE   B HG13 1 c 1 
ATOM   1135 H HG21 . ILE   A 1 80  ? 21.276 8.269   -1.048  1 30.512 ? 92  ILE   B HG21 1 c 1 
ATOM   1136 H HG22 . ILE   A 1 80  ? 22.807 8.031   -0.714  1 31.484 ? 92  ILE   B HG22 1 c 1 
ATOM   1137 H HG23 . ILE   A 1 80  ? 21.769 6.841   -0.575  1 30.206 ? 92  ILE   B HG23 1 c 1 
ATOM   1138 H HD11 . ILE   A 1 80  ? 20.432 8.672   -3.712  1 33.922 ? 92  ILE   B HD11 1 c 1 
ATOM   1139 H HD12 . ILE   A 1 80  ? 21.261 9.936   -4.213  1 35.268 ? 92  ILE   B HD12 1 c 1 
ATOM   1140 H HD13 . ILE   A 1 80  ? 20.937 9.76    -2.664  1 34.846 ? 92  ILE   B HD13 1 c 1 
ATOM   1141 N N    . GLY   A 1 81  ? 22.419 4.185   -1.955  1 30.272 ? 93  GLY   B N    1 ? 1 
ATOM   1142 C CA   . GLY   A 1 81  ? 22.079 3.092   -1.033  1 32.047 ? 93  GLY   B CA   1 ? 1 
ATOM   1143 C C    . GLY   A 1 81  ? 23.163 2.066   -0.854  1 30.264 ? 93  GLY   B C    1 ? 1 
ATOM   1144 O O    . GLY   A 1 81  ? 23.488 1.718   0.281   1 28.638 ? 93  GLY   B O    1 ? 1 
ATOM   1145 H H    . GLY   A 1 81  ? 21.967 4.231   -2.748  1 30.6   ? 93  GLY   B H    1 c 1 
ATOM   1146 H HA2  . GLY   A 1 81  ? 21.86  3.481   -0.155  1 31.039 ? 93  GLY   B HA2  1 c 1 
ATOM   1147 H HA3  . GLY   A 1 81  ? 21.267 2.643   -1.367  1 30.418 ? 93  GLY   B HA3  1 c 1 
ATOM   1148 N N    . VAL   A 1 82  ? 23.713 1.561   -1.978  1 29.592 ? 94  VAL   B N    1 ? 1 
ATOM   1149 C CA   . VAL   A 1 82  ? 24.713 0.563   -1.916  1 29.852 ? 94  VAL   B CA   1 ? 1 
ATOM   1150 C C    . VAL   A 1 82  ? 25.982 1.102   -1.247  1 33.315 ? 94  VAL   B C    1 ? 1 
ATOM   1151 O O    . VAL   A 1 82  ? 26.66  0.322   -0.622  1 34.421 ? 94  VAL   B O    1 ? 1 
ATOM   1152 C CB   . VAL   A 1 82  ? 24.983 -0.049  -3.313  1 29.763 ? 94  VAL   B CB   1 ? 1 
ATOM   1153 C CG1  . VAL   A 1 82  ? 26.114 -1.036  -3.29   1 34.224 ? 94  VAL   B CG1  1 ? 1 
ATOM   1154 C CG2  . VAL   A 1 82  ? 23.694 -0.687  -3.857  1 29.176 ? 94  VAL   B CG2  1 ? 1 
ATOM   1155 H H    . VAL   A 1 82  ? 23.445 1.874   -2.794  1 29.376 ? 94  VAL   B H    1 c 1 
ATOM   1156 H HA   . VAL   A 1 82  ? 24.368 -0.154  -1.349  1 30.23  ? 94  VAL   B HA   1 c 1 
ATOM   1157 H HB   . VAL   A 1 82  ? 25.236 0.691   -3.913  1 30.601 ? 94  VAL   B HB   1 c 1 
ATOM   1158 H HG11 . VAL   A 1 82  ? 26.06  -1.573  -2.481  1 33.405 ? 94  VAL   B HG11 1 c 1 
ATOM   1159 H HG12 . VAL   A 1 82  ? 26.962 -0.56   -3.306  1 34.09  ? 94  VAL   B HG12 1 c 1 
ATOM   1160 H HG13 . VAL   A 1 82  ? 26.055 -1.616  -4.067  1 33.53  ? 94  VAL   B HG13 1 c 1 
ATOM   1161 H HG21 . VAL   A 1 82  ? 23.887 -1.151  -4.689  1 29.534 ? 94  VAL   B HG21 1 c 1 
ATOM   1162 H HG22 . VAL   A 1 82  ? 23.03  0.003   -4.02   1 28.421 ? 94  VAL   B HG22 1 c 1 
ATOM   1163 H HG23 . VAL   A 1 82  ? 23.347 -1.321  -3.207  1 29.01  ? 94  VAL   B HG23 1 c 1 
ATOM   1164 N N    . ALA   A 1 83  ? 26.283 2.423   -1.36   1 29.729 ? 95  ALA   B N    1 ? 1 
ATOM   1165 C CA   . ALA   A 1 83  ? 27.394 3.063   -0.709  1 32.051 ? 95  ALA   B CA   1 ? 1 
ATOM   1166 C C    . ALA   A 1 83  ? 27.312 2.93    0.821   1 35.043 ? 95  ALA   B C    1 ? 1 
ATOM   1167 O O    . ALA   A 1 83  ? 28.369 3.053   1.47    1 33.438 ? 95  ALA   B O    1 ? 1 
ATOM   1168 C CB   . ALA   A 1 83  ? 27.547 4.539   -1.13   1 30.889 ? 95  ALA   B CB   1 ? 1 
ATOM   1169 H H    . ALA   A 1 83  ? 25.747 2.939   -1.891  1 30.161 ? 95  ALA   B H    1 c 1 
ATOM   1170 H HA   . ALA   A 1 83  ? 28.217 2.58    -0.998  1 33.048 ? 95  ALA   B HA   1 c 1 
ATOM   1171 H HB1  . ALA   A 1 83  ? 27.63  4.597   -2.097  1 31.384 ? 95  ALA   B HB1  1 c 1 
ATOM   1172 H HB2  . ALA   A 1 83  ? 26.767 5.044   -0.844  1 30.54  ? 95  ALA   B HB2  1 c 1 
ATOM   1173 H HB3  . ALA   A 1 83  ? 28.342 4.917   -0.717  1 32.56  ? 95  ALA   B HB3  1 c 1 
ATOM   1174 N N    . THR   A 1 84  ? 26.111 2.723   1.364   1 33.64  ? 96  THR   B N    1 ? 1 
ATOM   1175 C CA   . THR   A 1 84  ? 25.922 2.557   2.808   1 36.905 ? 96  THR   B CA   1 ? 1 
ATOM   1176 C C    . THR   A 1 84  ? 26.012 1.092   3.273   1 35.12  ? 96  THR   B C    1 ? 1 
ATOM   1177 O O    . THR   A 1 84  ? 25.952 0.794   4.48    1 35.265 ? 96  THR   B O    1 ? 1 
ATOM   1178 C CB   . THR   A 1 84  ? 24.564 3.107   3.234   1 33.946 ? 96  THR   B CB   1 ? 1 
ATOM   1179 O OG1  . THR   A 1 84  ? 23.545 2.171   2.851   1 31.871 ? 96  THR   B OG1  1 ? 1 
ATOM   1180 C CG2  . THR   A 1 84  ? 24.333 4.548   2.849   1 34.879 ? 96  THR   B CG2  1 ? 1 
ATOM   1181 H H    . THR   A 1 84  ? 25.373 2.704   0.825   1 33.26  ? 96  THR   B H    1 c 1 
ATOM   1182 H HA   . THR   A 1 84  ? 26.618 3.072   3.269   1 36.595 ? 96  THR   B HA   1 c 1 
ATOM   1183 H HB   . THR   A 1 84  ? 24.581 3.123   4.22    1 34.881 ? 96  THR   B HB   1 c 1 
ATOM   1184 H HG1  . THR   A 1 84  ? 23.56  2.058   1.989   0 30     ? 96  THR   B HG1  1 c 1 
ATOM   1185 H HG21 . THR   A 1 84  ? 23.488 4.852   3.222   1 34.043 ? 96  THR   B HG21 1 c 1 
ATOM   1186 H HG22 . THR   A 1 84  ? 24.305 4.625   1.881   1 34.046 ? 96  THR   B HG22 1 c 1 
ATOM   1187 H HG23 . THR   A 1 84  ? 25.056 5.097   3.196   1 35.533 ? 96  THR   B HG23 1 c 1 
ATOM   1188 N N    . MET   A 1 85  ? 26.062 0.123   2.365   1 33.934 ? 97  MET   B N    1 ? 1 
ATOM   1189 C CA   . MET   A 1 85  ? 25.903 -1.274  2.726   1 37.661 ? 97  MET   B CA   1 ? 1 
ATOM   1190 C C    . MET   A 1 85  ? 27.254 -1.931  3.058   1 40.037 ? 97  MET   B C    1 ? 1 
ATOM   1191 O O    . MET   A 1 85  ? 28.302 -1.592  2.499   1 35.355 ? 97  MET   B O    1 ? 1 
ATOM   1192 C CB   . MET   A 1 85  ? 25.194 -2.008  1.592   1 37.428 ? 97  MET   B CB   1 ? 1 
ATOM   1193 C CG   . MET   A 1 85  ? 23.78  -1.454  1.345   1 34.424 ? 97  MET   B CG   1 ? 1 
ATOM   1194 S SD   . MET   A 1 85  ? 22.993 -2.498  0.14    1 35.703 ? 97  MET   B SD   1 ? 1 
ATOM   1195 C CE   . MET   A 1 85  ? 22.765 -4.124  0.908   1 36.611 ? 97  MET   B CE   1 ? 1 
ATOM   1196 H H    . MET   A 1 85  ? 26.206 0.335   1.488   1 34.635 ? 97  MET   B H    1 c 1 
ATOM   1197 H HA   . MET   A 1 85  ? 25.335 -1.318  3.536   1 36.994 ? 97  MET   B HA   1 c 1 
ATOM   1198 H HB2  . MET   A 1 85  ? 25.725 -1.919  0.773   1 37.137 ? 97  MET   B HB2  1 c 1 
ATOM   1199 H HB3  . MET   A 1 85  ? 25.137 -2.96   1.817   1 37.451 ? 97  MET   B HB3  1 c 1 
ATOM   1200 H HG2  . MET   A 1 85  ? 23.263 -1.458  2.173   1 35.013 ? 97  MET   B HG2  1 c 1 
ATOM   1201 H HG3  . MET   A 1 85  ? 23.829 -0.541  1.007   1 34.632 ? 97  MET   B HG3  1 c 1 
ATOM   1202 H HE1  . MET   A 1 85  ? 22.348 -4.728  0.267   1 36.574 ? 97  MET   B HE1  1 c 1 
ATOM   1203 H HE2  . MET   A 1 85  ? 23.631 -4.483  1.174   1 37.572 ? 97  MET   B HE2  1 c 1 
ATOM   1204 H HE3  . MET   A 1 85  ? 22.193 -4.035  1.693   1 36.489 ? 97  MET   B HE3  1 c 1 
ATOM   1205 N N    . LYS   A 1 86  ? 27.26  -2.896  4.008   1 38.118 ? 98  LYS   B N    1 ? 1 
ATOM   1206 C CA   . LYS   A 1 86  ? 28.473 -3.667  4.299   1 39.288 ? 98  LYS   B CA   1 ? 1 
ATOM   1207 C C    . LYS   A 1 86  ? 28.394 -4.969  3.492   1 36.589 ? 98  LYS   B C    1 ? 1 
ATOM   1208 O O    . LYS   A 1 86  ? 27.294 -5.389  3.119   1 41.434 ? 98  LYS   B O    1 ? 1 
ATOM   1209 C CB   . LYS   A 1 86  ? 28.66  -3.854  5.817   1 37.158 ? 98  LYS   B CB   1 ? 1 
ATOM   1210 H H    . LYS   A 1 86  ? 26.496 -3.075  4.477   1 38.088 ? 98  LYS   B H    1 c 1 
ATOM   1211 H HA   . LYS   A 1 86  ? 29.253 -3.152  3.97    1 38.805 ? 98  LYS   B HA   1 c 1 
ATOM   1212 H HB2  . LYS   A 1 86  ? 29.608 -3.89   6.017   0 30     ? 98  LYS   B HB2  1 c 1 
ATOM   1213 H HB3  . LYS   A 1 86  ? 27.762 -3.917  6.228   0 30     ? 98  LYS   B HB3  1 c 1 
ATOM   1214 N N    . LYS   A 1 87  ? 29.522 -5.659  3.296   1 40.434 ? 99  LYS   B N    1 ? 1 
ATOM   1215 C CA   . LYS   A 1 87  ? 29.543 -6.986  2.675   1 44.417 ? 99  LYS   B CA   1 ? 1 
ATOM   1216 C C    . LYS   A 1 87  ? 28.654 -7.98   3.415   1 42.474 ? 99  LYS   B C    1 ? 1 
ATOM   1217 O O    . LYS   A 1 87  ? 28.766 -8.064  4.631   1 43.694 ? 99  LYS   B O    1 ? 1 
ATOM   1218 C CB   . LYS   A 1 87  ? 30.954 -7.538  2.515   1 47.2   ? 99  LYS   B CB   1 ? 1 
ATOM   1219 C CG   . LYS   A 1 87  ? 31.081 -8.761  1.568   1 51.922 ? 99  LYS   B CG   1 ? 1 
ATOM   1220 C CD   . LYS   A 1 87  ? 32.498 -9.347  1.469   1 57.988 ? 99  LYS   B CD   1 ? 1 
ATOM   1221 C CE   . LYS   A 1 87  ? 32.585 -10.446 0.457   1 59.105 ? 99  LYS   B CE   1 ? 1 
ATOM   1222 N NZ   . LYS   A 1 87  ? 33.788 -11.272 0.614   1 66.962 ? 99  LYS   B NZ   1 ? 1 
ATOM   1223 H H    . LYS   A 1 87  ? 30.315 -5.288  3.559   1 41.688 ? 99  LYS   B H    1 c 1 
ATOM   1224 H HA   . LYS   A 1 87  ? 29.179 -6.884  1.76    1 42.407 ? 99  LYS   B HA   1 c 1 
ATOM   1225 H HB2  . LYS   A 1 87  ? 31.533 -6.823  2.175   1 48.023 ? 99  LYS   B HB2  1 c 1 
ATOM   1226 H HB3  . LYS   A 1 87  ? 31.29  -7.796  3.4     1 49.102 ? 99  LYS   B HB3  1 c 1 
ATOM   1227 H HG2  . LYS   A 1 87  ? 30.47  -9.462  1.882   1 51.631 ? 99  LYS   B HG2  1 c 1 
ATOM   1228 H HG3  . LYS   A 1 87  ? 30.786 -8.49   0.671   1 50.671 ? 99  LYS   B HG3  1 c 1 
ATOM   1229 H HD2  . LYS   A 1 87  ? 33.125 -8.632  1.223   1 57.511 ? 99  LYS   B HD2  1 c 1 
ATOM   1230 H HD3  . LYS   A 1 87  ? 32.763 -9.697  2.348   1 58.447 ? 99  LYS   B HD3  1 c 1 
ATOM   1231 H HE2  . LYS   A 1 87  ? 31.802 -11.019 0.54    1 59.547 ? 99  LYS   B HE2  1 c 1 
ATOM   1232 H HE3  . LYS   A 1 87  ? 32.583 -10.06  -0.437  1 59.49  ? 99  LYS   B HE3  1 c 1 
ATOM   1233 H HZ1  . LYS   A 1 87  ? 33.782 -11.671 1.427   1 66.216 ? 99  LYS   B HZ1  1 c 1 
ATOM   1234 H HZ2  . LYS   A 1 87  ? 34.528 -10.753 0.543   1 66.181 ? 99  LYS   B HZ2  1 c 1 
ATOM   1235 H HZ3  . LYS   A 1 87  ? 33.809 -11.909 -0.03   1 66.166 ? 99  LYS   B HZ3  1 c 1 
ATOM   1236 N N    . GLY   A 1 88  ? 27.743 -8.658  2.675   1 39.215 ? 100 GLY   B N    1 ? 1 
ATOM   1237 C CA   . GLY   A 1 88  ? 26.838 -9.665  3.231   1 41.231 ? 100 GLY   B CA   1 ? 1 
ATOM   1238 C C    . GLY   A 1 88  ? 25.51  -9.101  3.738   1 39.064 ? 100 GLY   B C    1 ? 1 
ATOM   1239 O O    . GLY   A 1 88  ? 24.601 -9.885  4.084   1 43.719 ? 100 GLY   B O    1 ? 1 
ATOM   1240 H H    . GLY   A 1 88  ? 27.689 -8.48   1.78    1 39.549 ? 100 GLY   B H    1 c 1 
ATOM   1241 H HA2  . GLY   A 1 88  ? 26.654 -10.339 2.535   1 41.023 ? 100 GLY   B HA2  1 c 1 
ATOM   1242 H HA3  . GLY   A 1 88  ? 27.295 -10.125 3.974   1 42.201 ? 100 GLY   B HA3  1 c 1 
ATOM   1243 N N    . GLU   A 1 89  ? 25.406 -7.753  3.793   1 39.34  ? 101 GLU   B N    1 ? 1 
ATOM   1244 C CA   . GLU   A 1 89  ? 24.179 -7.042  4.172   1 39.377 ? 101 GLU   B CA   1 ? 1 
ATOM   1245 C C    . GLU   A 1 89  ? 23.029 -7.299  3.214   1 40.359 ? 101 GLU   B C    1 ? 1 
ATOM   1246 O O    . GLU   A 1 89  ? 23.193 -7.291  1.97    1 37.798 ? 101 GLU   B O    1 ? 1 
ATOM   1247 C CB   . GLU   A 1 89  ? 24.424 -5.54   4.264   1 37.989 ? 101 GLU   B CB   1 ? 1 
ATOM   1248 C CG   . GLU   A 1 89  ? 23.313 -4.742  4.947   1 41.842 ? 101 GLU   B CG   1 ? 1 
ATOM   1249 C CD   . GLU   A 1 89  ? 23.668 -3.272  5.021   1 41.088 ? 101 GLU   B CD   1 ? 1 
ATOM   1250 O OE1  . GLU   A 1 89  ? 24.794 -3.101  5.525   1 35.32  ? 101 GLU   B OE1  1 ? 1 
ATOM   1251 O OE2  . GLU   A 1 89  ? 22.869 -2.341  4.561   1 37.167 ? 101 GLU   B OE2  1 ? 1 
ATOM   1252 H H    . GLU   A 1 89  ? 26.14  -7.251  3.583   1 39.326 ? 101 GLU   B H    1 c 1 
ATOM   1253 H HA   . GLU   A 1 89  ? 23.915 -7.36   5.07    1 40.058 ? 101 GLU   B HA   1 c 1 
ATOM   1254 H HB2  . GLU   A 1 89  ? 25.258 -5.394  4.758   1 39.996 ? 101 GLU   B HB2  1 c 1 
ATOM   1255 H HB3  . GLU   A 1 89  ? 24.55  -5.186  3.359   1 38.413 ? 101 GLU   B HB3  1 c 1 
ATOM   1256 H HG2  . GLU   A 1 89  ? 22.477 -4.844  4.445   1 39.82  ? 101 GLU   B HG2  1 c 1 
ATOM   1257 H HG3  . GLU   A 1 89  ? 23.173 -5.084  5.856   1 41.44  ? 101 GLU   B HG3  1 c 1 
ATOM   1258 N N    . ILE   A 1 90  ? 21.838 -7.487  3.819   1 36.622 ? 102 ILE   B N    1 ? 1 
ATOM   1259 C CA   . ILE   A 1 90  ? 20.624 -7.386  3.012   1 35.114 ? 102 ILE   B CA   1 ? 1 
ATOM   1260 C C    . ILE   A 1 90  ? 19.864 -6.166  3.505   1 36.829 ? 102 ILE   B C    1 ? 1 
ATOM   1261 O O    . ILE   A 1 90  ? 19.652 -6.002  4.732   1 35.049 ? 102 ILE   B O    1 ? 1 
ATOM   1262 C CB   . ILE   A 1 90  ? 19.767 -8.648  3.144   1 36.54  ? 102 ILE   B CB   1 ? 1 
ATOM   1263 C CG1  . ILE   A 1 90  ? 20.525 -9.872  2.675   1 37.866 ? 102 ILE   B CG1  1 ? 1 
ATOM   1264 C CG2  . ILE   A 1 90  ? 18.415 -8.536  2.428   1 40.509 ? 102 ILE   B CG2  1 ? 1 
ATOM   1265 C CD1  . ILE   A 1 90  ? 19.714 -11.134 2.912   1 38.574 ? 102 ILE   B CD1  1 ? 1 
ATOM   1266 H H    . ILE   A 1 90  ? 21.781 -7.677  4.711   1 38.049 ? 102 ILE   B H    1 c 1 
ATOM   1267 H HA   . ILE   A 1 90  ? 20.866 -7.263  2.079   1 35.301 ? 102 ILE   B HA   1 c 1 
ATOM   1268 H HB   . ILE   A 1 90  ? 19.582 -8.772  4.097   1 37.879 ? 102 ILE   B HB   1 c 1 
ATOM   1269 H HG12 . ILE   A 1 90  ? 20.721 -9.787  1.72    1 37.261 ? 102 ILE   B HG12 1 c 1 
ATOM   1270 H HG13 . ILE   A 1 90  ? 21.373 -9.937  3.161   1 38.361 ? 102 ILE   B HG13 1 c 1 
ATOM   1271 H HG21 . ILE   A 1 90  ? 17.825 -9.247  2.73    1 39.915 ? 102 ILE   B HG21 1 c 1 
ATOM   1272 H HG22 . ILE   A 1 90  ? 18.548 -8.614  1.468   1 38.733 ? 102 ILE   B HG22 1 c 1 
ATOM   1273 H HG23 . ILE   A 1 90  ? 18.007 -7.677  2.628   1 38.11  ? 102 ILE   B HG23 1 c 1 
ATOM   1274 H HD11 . ILE   A 1 90  ? 19.353 -11.121 3.818   1 39.228 ? 102 ILE   B HD11 1 c 1 
ATOM   1275 H HD12 . ILE   A 1 90  ? 20.29  -11.913 2.805   1 40.05  ? 102 ILE   B HD12 1 c 1 
ATOM   1276 H HD13 . ILE   A 1 90  ? 18.98  -11.186 2.271   1 38.506 ? 102 ILE   B HD13 1 c 1 
ATOM   1277 N N    . ALA   A 1 91  ? 19.455 -5.336  2.521   1 32.418 ? 103 ALA   B N    1 ? 1 
ATOM   1278 C CA   . ALA   A 1 91  ? 18.719 -4.13   2.837   1 34.367 ? 103 ALA   B CA   1 ? 1 
ATOM   1279 C C    . ALA   A 1 91  ? 17.496 -4.044  1.933   1 30.946 ? 103 ALA   B C    1 ? 1 
ATOM   1280 O O    . ALA   A 1 91  ? 17.504 -4.59   0.778   1 33.527 ? 103 ALA   B O    1 ? 1 
ATOM   1281 C CB   . ALA   A 1 91  ? 19.645 -2.91   2.712   1 36.006 ? 103 ALA   B CB   1 ? 1 
ATOM   1282 H H    . ALA   A 1 91  ? 19.64  -5.53   1.648   1 33.58  ? 103 ALA   B H    1 c 1 
ATOM   1283 H HA   . ALA   A 1 91  ? 18.403 -4.199  3.778   1 34.071 ? 103 ALA   B HA   1 c 1 
ATOM   1284 H HB1  . ALA   A 1 91  ? 20.392 -3.002  3.327   1 35.961 ? 103 ALA   B HB1  1 c 1 
ATOM   1285 H HB2  . ALA   A 1 91  ? 19.984 -2.848  1.803   1 35.003 ? 103 ALA   B HB2  1 c 1 
ATOM   1286 H HB3  . ALA   A 1 91  ? 19.151 -2.101  2.926   1 34.847 ? 103 ALA   B HB3  1 c 1 
ATOM   1287 N N    . HIS   A 1 92  ? 16.532 -3.305  2.449   1 29.855 ? 104 HIS   B N    1 ? 1 
ATOM   1288 C CA   . HIS   A 1 92  ? 15.338 -2.873  1.755   1 30.495 ? 104 HIS   B CA   1 ? 1 
ATOM   1289 C C    . HIS   A 1 92  ? 15.413 -1.377  1.451   1 30.131 ? 104 HIS   B C    1 ? 1 
ATOM   1290 O O    . HIS   A 1 92  ? 15.679 -0.57   2.318   1 30.417 ? 104 HIS   B O    1 ? 1 
ATOM   1291 C CB   . HIS   A 1 92  ? 14.086 -3.223  2.544   1 31.02  ? 104 HIS   B CB   1 ? 1 
ATOM   1292 C CG   . HIS   A 1 92  ? 13.794 -4.658  2.594   1 37.389 ? 104 HIS   B CG   1 ? 1 
ATOM   1293 N ND1  . HIS   A 1 92  ? 12.729 -5.151  3.316   1 35.791 ? 104 HIS   B ND1  1 ? 1 
ATOM   1294 C CD2  . HIS   A 1 92  ? 14.35  -5.717  1.953   1 36.583 ? 104 HIS   B CD2  1 ? 1 
ATOM   1295 C CE1  . HIS   A 1 92  ? 12.656 -6.466  3.12    1 37.053 ? 104 HIS   B CE1  1 ? 1 
ATOM   1296 N NE2  . HIS   A 1 92  ? 13.624 -6.825  2.262   1 38.517 ? 104 HIS   B NE2  1 ? 1 
ATOM   1297 H H    . HIS   A 1 92  ? 16.626 -3.042  3.319   1 30.593 ? 104 HIS   B H    1 c 1 
ATOM   1298 H HA   . HIS   A 1 92  ? 15.302 -3.357  0.898   1 30.421 ? 104 HIS   B HA   1 c 1 
ATOM   1299 H HB2  . HIS   A 1 92  ? 14.19  -2.888  3.461   1 32.448 ? 104 HIS   B HB2  1 c 1 
ATOM   1300 H HB3  . HIS   A 1 92  ? 13.32  -2.757  2.142   1 32.019 ? 104 HIS   B HB3  1 c 1 
ATOM   1301 H HD1  . HIS   A 1 92  ? 12.18  -4.668  3.812   0 30     ? 104 HIS   B HD1  1 c 1 
ATOM   1302 H HD2  . HIS   A 1 92  ? 15.076 -5.691  1.361   1 36.38  ? 104 HIS   B HD2  1 c 1 
ATOM   1303 H HE1  . HIS   A 1 92  ? 12.027 -7.044  3.516   1 38.637 ? 104 HIS   B HE1  1 c 1 
ATOM   1304 H HE2  . HIS   A 1 92  ? 13.763 -7.633  1.959   0 30     ? 104 HIS   B HE2  1 c 1 
ATOM   1305 N N    . LEU   A 1 93  ? 15.139 -0.988  0.188   1 28.814 ? 105 LEU   B N    1 ? 1 
ATOM   1306 C CA   . LEU   A 1 93  ? 15.118 0.399   -0.229  1 28.804 ? 105 LEU   B CA   1 ? 1 
ATOM   1307 C C    . LEU   A 1 93  ? 13.765 0.72    -0.819  1 29.965 ? 105 LEU   B C    1 ? 1 
ATOM   1308 O O    . LEU   A 1 93  ? 13.22  -0.043  -1.604  1 32.371 ? 105 LEU   B O    1 ? 1 
ATOM   1309 C CB   . LEU   A 1 93  ? 16.167 0.753   -1.303  1 27.793 ? 105 LEU   B CB   1 ? 1 
ATOM   1310 C CG   . LEU   A 1 93  ? 17.644 0.591   -0.959  1 27.922 ? 105 LEU   B CG   1 ? 1 
ATOM   1311 C CD1  . LEU   A 1 93  ? 18.565 0.943   -2.079  1 31.355 ? 105 LEU   B CD1  1 ? 1 
ATOM   1312 C CD2  . LEU   A 1 93  ? 18.045 1.375   0.307   1 29.195 ? 105 LEU   B CD2  1 ? 1 
ATOM   1313 H H    . LEU   A 1 93  ? 14.956 -1.629  -0.438  1 29.321 ? 105 LEU   B H    1 c 1 
ATOM   1314 H HA   . LEU   A 1 93  ? 15.264 0.966   0.565   1 28.818 ? 105 LEU   B HA   1 c 1 
ATOM   1315 H HB2  . LEU   A 1 93  ? 15.979 0.205   -2.099  1 28.02  ? 105 LEU   B HB2  1 c 1 
ATOM   1316 H HB3  . LEU   A 1 93  ? 16.019 1.689   -1.571  1 27.705 ? 105 LEU   B HB3  1 c 1 
ATOM   1317 H HG   . LEU   A 1 93  ? 17.794 -0.368  -0.759  1 29.111 ? 105 LEU   B HG   1 c 1 
ATOM   1318 H HD11 . LEU   A 1 93  ? 18.358 0.394   -2.854  1 30.315 ? 105 LEU   B HD11 1 c 1 
ATOM   1319 H HD12 . LEU   A 1 93  ? 19.484 0.783   -1.807  1 30.562 ? 105 LEU   B HD12 1 c 1 
ATOM   1320 H HD13 . LEU   A 1 93  ? 18.454 1.881   -2.309  1 30.05  ? 105 LEU   B HD13 1 c 1 
ATOM   1321 H HD21 . LEU   A 1 93  ? 17.57  1.017   1.075   1 29.101 ? 105 LEU   B HD21 1 c 1 
ATOM   1322 H HD22 . LEU   A 1 93  ? 17.816 2.313   0.194   1 28.679 ? 105 LEU   B HD22 1 c 1 
ATOM   1323 H HD23 . LEU   A 1 93  ? 19.003 1.292   0.452   1 29.17  ? 105 LEU   B HD23 1 c 1 
ATOM   1324 N N    . LEU   A 1 94  ? 13.265 1.882   -0.431  1 29.892 ? 106 LEU   B N    1 ? 1 
ATOM   1325 C CA   . LEU   A 1 94  ? 12.097 2.432   -1.096  1 33.856 ? 106 LEU   B CA   1 ? 1 
ATOM   1326 C C    . LEU   A 1 94  ? 12.487 3.78    -1.671  1 29.447 ? 106 LEU   B C    1 ? 1 
ATOM   1327 O O    . LEU   A 1 94  ? 13.101 4.581   -0.946  1 30.539 ? 106 LEU   B O    1 ? 1 
ATOM   1328 C CB   . LEU   A 1 94  ? 10.93  2.554   -0.105  1 32.728 ? 106 LEU   B CB   1 ? 1 
ATOM   1329 C CG   . LEU   A 1 94  ? 9.592  2.939   -0.759  1 35.423 ? 106 LEU   B CG   1 ? 1 
ATOM   1330 C CD1  . LEU   A 1 94  ? 9.054  1.766   -1.596  1 33.813 ? 106 LEU   B CD1  1 ? 1 
ATOM   1331 C CD2  . LEU   A 1 94  ? 8.563  3.329   0.275   1 34.24  ? 106 LEU   B CD2  1 ? 1 
ATOM   1332 H H    . LEU   A 1 94  ? 13.648 2.345   0.258   1 30.628 ? 106 LEU   B H    1 c 1 
ATOM   1333 H HA   . LEU   A 1 94  ? 11.838 1.831   -1.838  1 32.052 ? 106 LEU   B HA   1 c 1 
ATOM   1334 H HB2  . LEU   A 1 94  ? 10.82  1.689   0.353   1 33.936 ? 106 LEU   B HB2  1 c 1 
ATOM   1335 H HB3  . LEU   A 1 94  ? 11.161 3.237   0.565   1 33.577 ? 106 LEU   B HB3  1 c 1 
ATOM   1336 H HG   . LEU   A 1 94  ? 9.743  3.713   -1.361  1 33.955 ? 106 LEU   B HG   1 c 1 
ATOM   1337 H HD11 . LEU   A 1 94  ? 9.633  1.618   -2.361  1 33.899 ? 106 LEU   B HD11 1 c 1 
ATOM   1338 H HD12 . LEU   A 1 94  ? 8.156  1.973   -1.906  1 35.123 ? 106 LEU   B HD12 1 c 1 
ATOM   1339 H HD13 . LEU   A 1 94  ? 9.028  0.962   -1.05   1 34.724 ? 106 LEU   B HD13 1 c 1 
ATOM   1340 H HD21 . LEU   A 1 94  ? 8.887  4.093   0.783   1 34.733 ? 106 LEU   B HD21 1 c 1 
ATOM   1341 H HD22 . LEU   A 1 94  ? 8.409  2.583   0.878   1 35.293 ? 106 LEU   B HD22 1 c 1 
ATOM   1342 H HD23 . LEU   A 1 94  ? 7.731  3.565   -0.167  1 35.519 ? 106 LEU   B HD23 1 c 1 
ATOM   1343 N N    . ILE   A 1 95  ? 12.103 4.035   -2.98   1 28.932 ? 107 ILE   B N    1 ? 1 
ATOM   1344 C CA   . ILE   A 1 95  ? 12.753 5.049   -3.785  1 30.165 ? 107 ILE   B CA   1 ? 1 
ATOM   1345 C C    . ILE   A 1 95  ? 11.696 5.867   -4.447  1 30.181 ? 107 ILE   B C    1 ? 1 
ATOM   1346 O O    . ILE   A 1 95  ? 10.898 5.296   -5.154  1 32.856 ? 107 ILE   B O    1 ? 1 
ATOM   1347 C CB   . ILE   A 1 95  ? 13.688 4.402   -4.796  1 29.757 ? 107 ILE   B CB   1 ? 1 
ATOM   1348 C CG1  . ILE   A 1 95  ? 14.728 3.517   -4.021  1 31.015 ? 107 ILE   B CG1  1 ? 1 
ATOM   1349 C CG2  . ILE   A 1 95  ? 14.338 5.467   -5.659  1 32.028 ? 107 ILE   B CG2  1 ? 1 
ATOM   1350 C CD1  . ILE   A 1 95  ? 15.421 2.46    -4.888  1 30.167 ? 107 ILE   B CD1  1 ? 1 
ATOM   1351 H H    . ILE   A 1 95  ? 11.42  3.552   -3.348  1 29.764 ? 107 ILE   B H    1 c 1 
ATOM   1352 H HA   . ILE   A 1 95  ? 13.28  5.625   -3.2    1 29.608 ? 107 ILE   B HA   1 c 1 
ATOM   1353 H HB   . ILE   A 1 95  ? 13.158 3.817   -5.373  1 30.718 ? 107 ILE   B HB   1 c 1 
ATOM   1354 H HG12 . ILE   A 1 95  ? 15.41  4.101   -3.632  1 30.33  ? 107 ILE   B HG12 1 c 1 
ATOM   1355 H HG13 . ILE   A 1 95  ? 14.273 3.061   -3.286  1 30.458 ? 107 ILE   B HG13 1 c 1 
ATOM   1356 H HG21 . ILE   A 1 95  ? 15.088 5.08    -6.141  1 31.321 ? 107 ILE   B HG21 1 c 1 
ATOM   1357 H HG22 . ILE   A 1 95  ? 14.656 6.193   -5.097  1 31.352 ? 107 ILE   B HG22 1 c 1 
ATOM   1358 H HG23 . ILE   A 1 95  ? 13.691 5.811   -6.297  1 31.752 ? 107 ILE   B HG23 1 c 1 
ATOM   1359 H HD11 . ILE   A 1 95  ? 14.747 1.918   -5.34   1 30.7   ? 107 ILE   B HD11 1 c 1 
ATOM   1360 H HD12 . ILE   A 1 95  ? 15.975 1.886   -4.326  1 30.382 ? 107 ILE   B HD12 1 c 1 
ATOM   1361 H HD13 . ILE   A 1 95  ? 15.983 2.899   -5.554  1 30.507 ? 107 ILE   B HD13 1 c 1 
ATOM   1362 N N    . LYS   A 1 96  ? 11.667 7.182   -4.175  1 29.785 ? 108 LYS   B N    1 ? 1 
ATOM   1363 C CA   . LYS   A 1 96  ? 10.777 8.072   -4.97   1 29.505 ? 108 LYS   B CA   1 ? 1 
ATOM   1364 C C    . LYS   A 1 96  ? 11.366 8.312   -6.346  1 31.104 ? 108 LYS   B C    1 ? 1 
ATOM   1365 O O    . LYS   A 1 96  ? 12.553 8.16    -6.546  1 31.754 ? 108 LYS   B O    1 ? 1 
ATOM   1366 C CB   . LYS   A 1 96  ? 10.681 9.44    -4.268  1 34.788 ? 108 LYS   B CB   1 ? 1 
ATOM   1367 C CG   . LYS   A 1 96  ? 9.975  9.442   -2.904  1 37.448 ? 108 LYS   B CG   1 ? 1 
ATOM   1368 C CD   . LYS   A 1 96  ? 9.904  10.868  -2.325  1 40.371 ? 108 LYS   B CD   1 ? 1 
ATOM   1369 C CE   . LYS   A 1 96  ? 9.448  11.054  -0.86   1 48.722 ? 108 LYS   B CE   1 ? 1 
ATOM   1370 N NZ   . LYS   A 1 96  ? 9.449  12.497  -0.626  1 46.393 ? 108 LYS   B NZ   1 ? 1 
ATOM   1371 H H    . LYS   A 1 96  ? 12.185 7.535   -3.51   1 29.569 ? 108 LYS   B H    1 c 1 
ATOM   1372 H HA   . LYS   A 1 96  ? 9.884  7.652   -5.046  1 31.23  ? 108 LYS   B HA   1 c 1 
ATOM   1373 H HB2  . LYS   A 1 96  ? 11.591 9.784   -4.14   1 33.828 ? 108 LYS   B HB2  1 c 1 
ATOM   1374 H HB3  . LYS   A 1 96  ? 10.212 10.067  -4.856  1 34.815 ? 108 LYS   B HB3  1 c 1 
ATOM   1375 H HG2  . LYS   A 1 96  ? 9.067  9.088   -3.013  1 37.836 ? 108 LYS   B HG2  1 c 1 
ATOM   1376 H HG3  . LYS   A 1 96  ? 10.467 8.86    -2.285  1 36.759 ? 108 LYS   B HG3  1 c 1 
ATOM   1377 H HD2  . LYS   A 1 96  ? 10.794 11.271  -2.422  1 41.226 ? 108 LYS   B HD2  1 c 1 
ATOM   1378 H HD3  . LYS   A 1 96  ? 9.302  11.389  -2.9    1 42.257 ? 108 LYS   B HD3  1 c 1 
ATOM   1379 H HE2  . LYS   A 1 96  ? 8.551  10.698  -0.729  1 46.482 ? 108 LYS   B HE2  1 c 1 
ATOM   1380 H HE3  . LYS   A 1 96  ? 10.062 10.618  -0.244  1 45.344 ? 108 LYS   B HE3  1 c 1 
ATOM   1381 H HZ1  . LYS   A 1 96  ? 8.861  12.901  -1.185  1 48.011 ? 108 LYS   B HZ1  1 c 1 
ATOM   1382 H HZ2  . LYS   A 1 96  ? 10.277 12.834  -0.769  1 47.087 ? 108 LYS   B HZ2  1 c 1 
ATOM   1383 H HZ3  . LYS   A 1 96  ? 9.205  12.665  0.23    1 47.929 ? 108 LYS   B HZ3  1 c 1 
ATOM   1384 N N    . PRO   A 1 97  ? 10.514 8.802   -7.295  1 33.707 ? 109 PRO   B N    1 ? 1 
ATOM   1385 C CA   . PRO   A 1 97  ? 10.909 8.915   -8.703  1 29.921 ? 109 PRO   B CA   1 ? 1 
ATOM   1386 C C    . PRO   A 1 97  ? 12.124 9.781   -8.916  1 30.327 ? 109 PRO   B C    1 ? 1 
ATOM   1387 O O    . PRO   A 1 97  ? 12.882 9.541   -9.871  1 34.257 ? 109 PRO   B O    1 ? 1 
ATOM   1388 C CB   . PRO   A 1 97  ? 9.616  9.32    -9.387  1 35.658 ? 109 PRO   B CB   1 ? 1 
ATOM   1389 C CG   . PRO   A 1 97  ? 8.546  9.544   -8.33   1 35.529 ? 109 PRO   B CG   1 ? 1 
ATOM   1390 C CD   . PRO   A 1 97  ? 9.075  8.91    -7.059  1 33.994 ? 109 PRO   B CD   1 ? 1 
ATOM   1391 H HA   . PRO   A 1 97  ? 11.135 7.999   -9.004  1 31.157 ? 109 PRO   B HA   1 c 1 
ATOM   1392 H HB2  . PRO   A 1 97  ? 9.752  10.143  -9.912  1 35.136 ? 109 PRO   B HB2  1 c 1 
ATOM   1393 H HB3  . PRO   A 1 97  ? 9.329  8.616   -10.015 1 34.713 ? 109 PRO   B HB3  1 c 1 
ATOM   1394 H HG2  . PRO   A 1 97  ? 8.39   10.503  -8.196  1 36.194 ? 109 PRO   B HG2  1 c 1 
ATOM   1395 H HG3  . PRO   A 1 97  ? 7.702  9.125   -8.597  1 36.216 ? 109 PRO   B HG3  1 c 1 
ATOM   1396 H HD2  . PRO   A 1 97  ? 8.881  9.478   -6.283  1 34.393 ? 109 PRO   B HD2  1 c 1 
ATOM   1397 H HD3  . PRO   A 1 97  ? 8.673  8.025   -6.917  1 34.075 ? 109 PRO   B HD3  1 c 1 
ATOM   1398 N N    . GLU   A 1 98  ? 12.353 10.774  -8.038  1 32.719 ? 110 GLU   B N    1 ? 1 
ATOM   1399 C CA   . GLU   A 1 98  ? 13.453 11.709  -8.193  1 33.822 ? 110 GLU   B CA   1 ? 1 
ATOM   1400 C C    . GLU   A 1 98  ? 14.779 10.976  -8.148  1 32.281 ? 110 GLU   B C    1 ? 1 
ATOM   1401 O O    . GLU   A 1 98  ? 15.768 11.483  -8.712  1 37.065 ? 110 GLU   B O    1 ? 1 
ATOM   1402 C CB   . GLU   A 1 98  ? 13.444 12.908  -7.232  1 40.347 ? 110 GLU   B CB   1 ? 1 
ATOM   1403 C CG   . GLU   A 1 98  ? 12.212 13.806  -7.333  1 47.297 ? 110 GLU   B CG   1 ? 1 
ATOM   1404 C CD   . GLU   A 1 98  ? 10.813 13.247  -6.973  1 53.233 ? 110 GLU   B CD   1 ? 1 
ATOM   1405 O OE1  . GLU   A 1 98  ? 10.668 12.301  -6.174  1 37.801 ? 110 GLU   B OE1  1 ? 1 
ATOM   1406 O OE2  . GLU   A 1 98  ? 9.825  13.753  -7.584  1 55.113 ? 110 GLU   B OE2  1 ? 1 
ATOM   1407 H H    . GLU   A 1 98  ? 11.802 10.866  -7.316  1 32.38  ? 110 GLU   B H    1 c 1 
ATOM   1408 H HA   . GLU   A 1 98  ? 13.372 12.098  -9.101  1 35.305 ? 110 GLU   B HA   1 c 1 
ATOM   1409 H HB2  . GLU   A 1 98  ? 13.508 12.573  -6.313  1 39.419 ? 110 GLU   B HB2  1 c 1 
ATOM   1410 H HB3  . GLU   A 1 98  ? 14.239 13.453  -7.405  1 40.447 ? 110 GLU   B HB3  1 c 1 
ATOM   1411 H HG2  . GLU   A 1 98  ? 12.367 14.591  -6.765  1 47.682 ? 110 GLU   B HG2  1 c 1 
ATOM   1412 H HG3  . GLU   A 1 98  ? 12.163 14.145  -8.252  1 47.895 ? 110 GLU   B HG3  1 c 1 
ATOM   1413 N N    . TYR   A 1 99  ? 14.838 9.828   -7.437  1 30.749 ? 111 TYR   B N    1 ? 1 
ATOM   1414 C CA   . TYR   A 1 99  ? 16.075 9.081   -7.318  1 33.735 ? 111 TYR   B CA   1 ? 1 
ATOM   1415 C C    . TYR   A 1 99  ? 16.074 7.819   -8.177  1 34.015 ? 111 TYR   B C    1 ? 1 
ATOM   1416 O O    . TYR   A 1 99  ? 16.944 6.932   -8.042  1 29.2   ? 111 TYR   B O    1 ? 1 
ATOM   1417 C CB   . TYR   A 1 99  ? 16.254 8.787   -5.808  1 30.885 ? 111 TYR   B CB   1 ? 1 
ATOM   1418 C CG   . TYR   A 1 99  ? 16.541 10.05   -5.002  1 33.062 ? 111 TYR   B CG   1 ? 1 
ATOM   1419 C CD1  . TYR   A 1 99  ? 17.854 10.526  -4.835  1 34.238 ? 111 TYR   B CD1  1 ? 1 
ATOM   1420 C CD2  . TYR   A 1 99  ? 15.519 10.804  -4.457  1 31.358 ? 111 TYR   B CD2  1 ? 1 
ATOM   1421 C CE1  . TYR   A 1 99  ? 18.122 11.705  -4.168  1 37.271 ? 111 TYR   B CE1  1 ? 1 
ATOM   1422 C CE2  . TYR   A 1 99  ? 15.772 12.001  -3.818  1 34.04  ? 111 TYR   B CE2  1 ? 1 
ATOM   1423 C CZ   . TYR   A 1 99  ? 17.087 12.419  -3.618  1 34.702 ? 111 TYR   B CZ   1 ? 1 
ATOM   1424 O OH   . TYR   A 1 99  ? 17.431 13.602  -2.986  1 36.504 ? 111 TYR   B OH   1 ? 1 
ATOM   1425 H H    . TYR   A 1 99  ? 14.093 9.518   -7.009  1 31.361 ? 111 TYR   B H    1 c 1 
ATOM   1426 H HA   . TYR   A 1 99  ? 16.826 9.661   -7.613  1 33.221 ? 111 TYR   B HA   1 c 1 
ATOM   1427 H HB2  . TYR   A 1 99  ? 15.435 8.365   -5.467  1 31.416 ? 111 TYR   B HB2  1 c 1 
ATOM   1428 H HB3  . TYR   A 1 99  ? 17     8.16    -5.696  1 31.443 ? 111 TYR   B HB3  1 c 1 
ATOM   1429 H HD1  . TYR   A 1 99  ? 18.572 10.035  -5.203  1 34.457 ? 111 TYR   B HD1  1 c 1 
ATOM   1430 H HD2  . TYR   A 1 99  ? 14.625 10.529  -4.584  1 32.161 ? 111 TYR   B HD2  1 c 1 
ATOM   1431 H HE1  . TYR   A 1 99  ? 19.011 11.997  -4.057  1 36.563 ? 111 TYR   B HE1  1 c 1 
ATOM   1432 H HE2  . TYR   A 1 99  ? 15.063 12.491  -3.439  1 34.103 ? 111 TYR   B HE2  1 c 1 
ATOM   1433 H HH   . TYR   A 1 99  ? 17.418 14.254  -3.552  0 30     ? 111 TYR   B HH   1 c 1 
ATOM   1434 N N    . ALA   A 1 100 ? 15.085 7.74    -9.092  1 31.87  ? 112 ALA   B N    1 ? 1 
ATOM   1435 C CA   . ALA   A 1 100 ? 14.927 6.576   -9.953  1 32.136 ? 112 ALA   B CA   1 ? 1 
ATOM   1436 C C    . ALA   A 1 100 ? 14.659 7.126   -11.359 1 32.6   ? 112 ALA   B C    1 ? 1 
ATOM   1437 O O    . ALA   A 1 100 ? 15.617 7.572   -11.966 1 34.261 ? 112 ALA   B O    1 ? 1 
ATOM   1438 C CB   . ALA   A 1 100 ? 13.779 5.716   -9.462  1 31.414 ? 112 ALA   B CB   1 ? 1 
ATOM   1439 H H    . ALA   A 1 100 ? 14.498 8.434   -9.184  1 32.88  ? 112 ALA   B H    1 c 1 
ATOM   1440 H HA   . ALA   A 1 100 ? 15.772 6.052   -9.963  1 31.686 ? 112 ALA   B HA   1 c 1 
ATOM   1441 H HB1  . ALA   A 1 100 ? 14.042 5.258   -8.646  1 30.966 ? 112 ALA   B HB1  1 c 1 
ATOM   1442 H HB2  . ALA   A 1 100 ? 13.005 6.275   -9.279  1 31.833 ? 112 ALA   B HB2  1 c 1 
ATOM   1443 H HB3  . ALA   A 1 100 ? 13.549 5.057   -10.138 1 31.918 ? 112 ALA   B HB3  1 c 1 
ATOM   1444 N N    . TYR   A 1 101 ? 13.446 7.013   -11.907 1 34.649 ? 113 TYR   B N    1 ? 1 
ATOM   1445 C CA   . TYR   A 1 101 ? 13.256 7.328   -13.328 1 34.717 ? 113 TYR   B CA   1 ? 1 
ATOM   1446 C C    . TYR   A 1 101 ? 12.398 8.559   -13.58  1 37.41  ? 113 TYR   B C    1 ? 1 
ATOM   1447 O O    . TYR   A 1 101 ? 12.136 8.908   -14.753 1 38.096 ? 113 TYR   B O    1 ? 1 
ATOM   1448 C CB   . TYR   A 1 101 ? 12.668 6.145   -14.091 1 33.555 ? 113 TYR   B CB   1 ? 1 
ATOM   1449 C CG   . TYR   A 1 101 ? 13.581 4.95    -14.038 1 32.05  ? 113 TYR   B CG   1 ? 1 
ATOM   1450 C CD1  . TYR   A 1 101 ? 14.645 4.833   -14.907 1 39.249 ? 113 TYR   B CD1  1 ? 1 
ATOM   1451 C CD2  . TYR   A 1 101 ? 13.437 3.963   -13.084 1 34.961 ? 113 TYR   B CD2  1 ? 1 
ATOM   1452 C CE1  . TYR   A 1 101 ? 15.46  3.705   -14.894 1 32.921 ? 113 TYR   B CE1  1 ? 1 
ATOM   1453 C CE2  . TYR   A 1 101 ? 14.282 2.868   -13.019 1 34.298 ? 113 TYR   B CE2  1 ? 1 
ATOM   1454 C CZ   . TYR   A 1 101 ? 15.324 2.758   -13.897 1 36.991 ? 113 TYR   B CZ   1 ? 1 
ATOM   1455 O OH   . TYR   A 1 101 ? 16.161 1.681   -13.776 1 32.976 ? 113 TYR   B OH   1 ? 1 
ATOM   1456 H H    . TYR   A 1 101 ? 12.728 6.75    -11.408 1 33.755 ? 113 TYR   B H    1 c 1 
ATOM   1457 H HA   . TYR   A 1 101 ? 14.152 7.51    -13.716 1 35.137 ? 113 TYR   B HA   1 c 1 
ATOM   1458 H HB2  . TYR   A 1 101 ? 11.801 5.908   -13.695 1 33.706 ? 113 TYR   B HB2  1 c 1 
ATOM   1459 H HB3  . TYR   A 1 101 ? 12.529 6.404   -15.029 1 34.823 ? 113 TYR   B HB3  1 c 1 
ATOM   1460 H HD1  . TYR   A 1 101 ? 14.758 5.476   -15.59  1 36.878 ? 113 TYR   B HD1  1 c 1 
ATOM   1461 H HD2  . TYR   A 1 101 ? 12.737 4.034   -12.455 1 33.652 ? 113 TYR   B HD2  1 c 1 
ATOM   1462 H HE1  . TYR   A 1 101 ? 16.193 3.654   -15.482 1 35.944 ? 113 TYR   B HE1  1 c 1 
ATOM   1463 H HE2  . TYR   A 1 101 ? 14.165 2.22    -12.346 1 34.361 ? 113 TYR   B HE2  1 c 1 
ATOM   1464 H HH   . TYR   A 1 101 ? 16.822 1.88    -13.269 0 30     ? 113 TYR   B HH   1 c 1 
ATOM   1465 N N    . GLY   A 1 102 ? 11.995 9.26    -12.516 1 32.967 ? 114 GLY   B N    1 ? 1 
ATOM   1466 C CA   . GLY   A 1 102 ? 11.522 10.634  -12.707 1 36.189 ? 114 GLY   B CA   1 ? 1 
ATOM   1467 C C    . GLY   A 1 102 ? 10.124 10.687  -13.327 1 38.851 ? 114 GLY   B C    1 ? 1 
ATOM   1468 O O    . GLY   A 1 102 ? 9.474  9.668   -13.554 1 38.777 ? 114 GLY   B O    1 ? 1 
ATOM   1469 H H    . GLY   A 1 102 ? 12.001 8.895   -11.678 1 33.484 ? 114 GLY   B H    1 c 1 
ATOM   1470 H HA2  . GLY   A 1 102 ? 11.509 11.092  -11.834 1 35.585 ? 114 GLY   B HA2  1 c 1 
ATOM   1471 H HA3  . GLY   A 1 102 ? 12.157 11.115  -13.29  1 36.566 ? 114 GLY   B HA3  1 c 1 
ATOM   1472 N N    . SER   A 1 103 ? 9.632  11.882  -13.636 1 41.53  ? 115 SER   B N    1 ? 1 
ATOM   1473 C CA   . SER   A 1 103 ? 8.339  11.945  -14.338 1 42.052 ? 115 SER   B CA   1 ? 1 
ATOM   1474 C C    . SER   A 1 103 ? 8.457  11.516  -15.793 1 38.717 ? 115 SER   B C    1 ? 1 
ATOM   1475 O O    . SER   A 1 103 ? 7.457  11.147  -16.385 1 42.989 ? 115 SER   B O    1 ? 1 
ATOM   1476 C CB   . SER   A 1 103 ? 7.666  13.279  -14.218 1 52.472 ? 115 SER   B CB   1 ? 1 
ATOM   1477 O OG   . SER   A 1 103 ? 8.511  14.326  -14.659 1 58.275 ? 115 SER   B OG   1 ? 1 
ATOM   1478 H H    . SER   A 1 103 ? 10.077 12.651  -13.422 1 41.1   ? 115 SER   B H    1 c 1 
ATOM   1479 H HA   . SER   A 1 103 ? 7.745  11.286  -13.901 1 42.393 ? 115 SER   B HA   1 c 1 
ATOM   1480 H HB2  . SER   A 1 103 ? 6.849  13.276  -14.751 1 52.427 ? 115 SER   B HB2  1 c 1 
ATOM   1481 H HB3  . SER   A 1 103 ? 7.421  13.435  -13.288 1 50.67  ? 115 SER   B HB3  1 c 1 
ATOM   1482 H HG   . SER   A 1 103 ? 8.113  15.064  -14.57  0 30     ? 115 SER   B HG   1 c 1 
ATOM   1483 N N    . ALA   A 1 104 ? 9.659  11.446  -16.356 1 41.474 ? 116 ALA   B N    1 ? 1 
ATOM   1484 C CA   . ALA   A 1 104 ? 9.808  10.917  -17.694 1 45.279 ? 116 ALA   B CA   1 ? 1 
ATOM   1485 C C    . ALA   A 1 104 ? 9.547  9.419   -17.75  1 38.325 ? 116 ALA   B C    1 ? 1 
ATOM   1486 O O    . ALA   A 1 104 ? 8.92   8.912   -18.685 1 40.39  ? 116 ALA   B O    1 ? 1 
ATOM   1487 C CB   . ALA   A 1 104 ? 11.153 11.306  -18.302 1 48.609 ? 116 ALA   B CB   1 ? 1 
ATOM   1488 H H    . ALA   A 1 104 ? 10.398 11.744  -15.909 1 40.578 ? 116 ALA   B H    1 c 1 
ATOM   1489 H HA   . ALA   A 1 104 ? 9.102  11.348  -18.251 1 45.422 ? 116 ALA   B HA   1 c 1 
ATOM   1490 H HB1  . ALA   A 1 104 ? 11.26  12.271  -18.268 1 48.348 ? 116 ALA   B HB1  1 c 1 
ATOM   1491 H HB2  . ALA   A 1 104 ? 11.872 10.884  -17.802 1 46.47  ? 116 ALA   B HB2  1 c 1 
ATOM   1492 H HB3  . ALA   A 1 104 ? 11.191 11.011  -19.227 1 48.707 ? 116 ALA   B HB3  1 c 1 
ATOM   1493 N N    . GLY   A 1 105 ? 9.949  8.71    -16.705 1 36.403 ? 117 GLY   B N    1 ? 1 
ATOM   1494 C CA   . GLY   A 1 105 ? 9.842  7.27    -16.633 1 33.529 ? 117 GLY   B CA   1 ? 1 
ATOM   1495 C C    . GLY   A 1 105 ? 10.882 6.6     -17.526 1 34.701 ? 117 GLY   B C    1 ? 1 
ATOM   1496 O O    . GLY   A 1 105 ? 11.776 7.249   -18.097 1 36.617 ? 117 GLY   B O    1 ? 1 
ATOM   1497 H H    . GLY   A 1 105 ? 10.318 9.149   -15.993 1 35.055 ? 117 GLY   B H    1 c 1 
ATOM   1498 H HA2  . GLY   A 1 105 ? 9.974  6.982   -15.701 1 33.072 ? 117 GLY   B HA2  1 c 1 
ATOM   1499 H HA3  . GLY   A 1 105 ? 8.937  6.996   -16.913 1 35.225 ? 117 GLY   B HA3  1 c 1 
ATOM   1500 N N    . SER   A 1 106 ? 10.647 5.316   -17.754 1 35.857 ? 118 SER   B N    1 ? 1 
ATOM   1501 C CA   . SER   A 1 106 ? 11.444 4.503   -18.636 1 39.645 ? 118 SER   B CA   1 ? 1 
ATOM   1502 C C    . SER   A 1 106 ? 10.582 3.352   -19.149 1 39.977 ? 118 SER   B C    1 ? 1 
ATOM   1503 O O    . SER   A 1 106 ? 10.768 2.183   -18.784 1 37.617 ? 118 SER   B O    1 ? 1 
ATOM   1504 C CB   . SER   A 1 106 ? 12.711 3.95    -17.934 1 33.09  ? 118 SER   B CB   1 ? 1 
ATOM   1505 O OG   . SER   A 1 106 ? 13.621 3.566   -18.961 1 38.379 ? 118 SER   B OG   1 ? 1 
ATOM   1506 H H    . SER   A 1 106 ? 9.943  4.922   -17.325 1 36.192 ? 118 SER   B H    1 c 1 
ATOM   1507 H HA   . SER   A 1 106 ? 11.723 5.056   -19.41  1 38.837 ? 118 SER   B HA   1 c 1 
ATOM   1508 H HB2  . SER   A 1 106 ? 13.111 4.643   -17.375 1 34.213 ? 118 SER   B HB2  1 c 1 
ATOM   1509 H HB3  . SER   A 1 106 ? 12.482 3.181   -17.38  1 34.468 ? 118 SER   B HB3  1 c 1 
ATOM   1510 H HG   . SER   A 1 106 ? 14.324 3.261   -18.604 0 30     ? 118 SER   B HG   1 c 1 
ATOM   1511 N N    . LEU   A 1 107 ? 9.71   3.685   -20.123 1 40.535 ? 119 LEU   B N    1 ? 1 
ATOM   1512 C CA   . LEU   A 1 107 ? 8.793  2.723   -20.695 1 38.76  ? 119 LEU   B CA   1 ? 1 
ATOM   1513 C C    . LEU   A 1 107 ? 9.566  1.702   -21.539 1 44.751 ? 119 LEU   B C    1 ? 1 
ATOM   1514 O O    . LEU   A 1 107 ? 10.574 1.997   -22.201 1 40.685 ? 119 LEU   B O    1 ? 1 
ATOM   1515 C CB   . LEU   A 1 107 ? 7.701  3.44    -21.519 1 41.649 ? 119 LEU   B CB   1 ? 1 
ATOM   1516 C CG   . LEU   A 1 107 ? 6.65   4.198   -20.691 1 42.001 ? 119 LEU   B CG   1 ? 1 
ATOM   1517 C CD1  . LEU   A 1 107 ? 5.547  4.85    -21.406 1 45.97  ? 119 LEU   B CD1  1 ? 1 
ATOM   1518 C CD2  . LEU   A 1 107 ? 6.031  3.291   -19.62  1 41.551 ? 119 LEU   B CD2  1 ? 1 
ATOM   1519 H H    . LEU   A 1 107 ? 9.695  4.545   -20.433 1 40.463 ? 119 LEU   B H    1 c 1 
ATOM   1520 H HA   . LEU   A 1 107 ? 8.365  2.242   -19.947 1 39.757 ? 119 LEU   B HA   1 c 1 
ATOM   1521 H HB2  . LEU   A 1 107 ? 8.141  4.08    -22.125 1 42.229 ? 119 LEU   B HB2  1 c 1 
ATOM   1522 H HB3  . LEU   A 1 107 ? 7.239  2.77    -22.072 1 43.243 ? 119 LEU   B HB3  1 c 1 
ATOM   1523 H HG   . LEU   A 1 107 ? 7.13   4.917   -20.205 1 41     ? 119 LEU   B HG   1 c 1 
ATOM   1524 H HD11 . LEU   A 1 107 ? 5.899  5.342   -22.167 1 46.35  ? 119 LEU   B HD11 1 c 1 
ATOM   1525 H HD12 . LEU   A 1 107 ? 5.09   5.466   -20.807 1 45.092 ? 119 LEU   B HD12 1 c 1 
ATOM   1526 H HD13 . LEU   A 1 107 ? 4.918  4.178   -21.718 1 46.769 ? 119 LEU   B HD13 1 c 1 
ATOM   1527 H HD21 . LEU   A 1 107 ? 6.642  3.21    -18.869 1 39.71  ? 119 LEU   B HD21 1 c 1 
ATOM   1528 H HD22 . LEU   A 1 107 ? 5.864  2.411   -19.997 1 42.364 ? 119 LEU   B HD22 1 c 1 
ATOM   1529 H HD23 . LEU   A 1 107 ? 5.193  3.674   -19.312 1 41.965 ? 119 LEU   B HD23 1 c 1 
ATOM   1530 N N    . PRO   A 1 108 ? 9.05   0.47    -21.66  1 43.017 ? 120 PRO   B N    1 ? 1 
ATOM   1531 C CA   . PRO   A 1 108 ? 7.795  0.049   -21.024 1 45.607 ? 120 PRO   B CA   1 ? 1 
ATOM   1532 C C    . PRO   A 1 108 ? 7.894  -0.415  -19.577 1 42.821 ? 120 PRO   B C    1 ? 1 
ATOM   1533 O O    . PRO   A 1 108 ? 6.86   -0.634  -18.944 1 45.187 ? 120 PRO   B O    1 ? 1 
ATOM   1534 C CB   . PRO   A 1 108 ? 7.371  -1.125  -21.805 1 44.613 ? 120 PRO   B CB   1 ? 1 
ATOM   1535 C CG   . PRO   A 1 108 ? 8.638  -1.707  -22.285 1 47.627 ? 120 PRO   B CG   1 ? 1 
ATOM   1536 C CD   . PRO   A 1 108 ? 9.635  -0.564  -22.476 1 49.018 ? 120 PRO   B CD   1 ? 1 
ATOM   1537 H HA   . PRO   A 1 108 ? 7.117  0.762   -21.107 1 44.831 ? 120 PRO   B HA   1 c 1 
ATOM   1538 H HB2  . PRO   A 1 108 ? 6.877  -1.769  -21.245 1 46.031 ? 120 PRO   B HB2  1 c 1 
ATOM   1539 H HB3  . PRO   A 1 108 ? 6.798  -0.855  -22.561 1 47.768 ? 120 PRO   B HB3  1 c 1 
ATOM   1540 H HG2  . PRO   A 1 108 ? 8.983  -2.351  -21.633 1 46.38  ? 120 PRO   B HG2  1 c 1 
ATOM   1541 H HG3  . PRO   A 1 108 ? 8.495  -2.176  -23.134 1 49.284 ? 120 PRO   B HG3  1 c 1 
ATOM   1542 H HD2  . PRO   A 1 108 ? 10.53  -0.813  -22.152 1 46.18  ? 120 PRO   B HD2  1 c 1 
ATOM   1543 H HD3  . PRO   A 1 108 ? 9.689  -0.29   -23.418 1 48.761 ? 120 PRO   B HD3  1 c 1 
ATOM   1544 N N    . LYS   A 1 109 ? 9.083  -0.609  -19.044 1 44.807 ? 121 LYS   B N    1 ? 1 
ATOM   1545 C CA   . LYS   A 1 109 ? 9.133  -1.159  -17.69  1 44.306 ? 121 LYS   B CA   1 ? 1 
ATOM   1546 C C    . LYS   A 1 109 ? 8.633  -0.178  -16.639 1 45.585 ? 121 LYS   B C    1 ? 1 
ATOM   1547 O O    . LYS   A 1 109 ? 8.023  -0.559  -15.655 1 43.72  ? 121 LYS   B O    1 ? 1 
ATOM   1548 C CB   . LYS   A 1 109 ? 10.549 -1.612  -17.319 1 42.759 ? 121 LYS   B CB   1 ? 1 
ATOM   1549 C CG   . LYS   A 1 109 ? 11.063 -2.701  -18.304 1 42.925 ? 121 LYS   B CG   1 ? 1 
ATOM   1550 C CD   . LYS   A 1 109 ? 12.445 -3.237  -17.883 1 43.488 ? 121 LYS   B CD   1 ? 1 
ATOM   1551 C CE   . LYS   A 1 109 ? 12.977 -4.481  -18.484 1 46.972 ? 121 LYS   B CE   1 ? 1 
ATOM   1552 N NZ   . LYS   A 1 109 ? 12.094 -5.647  -18.497 1 49.247 ? 121 LYS   B NZ   1 ? 1 
ATOM   1553 H H    . LYS   A 1 109 ? 9.854  -0.404  -19.49  1 43.985 ? 121 LYS   B H    1 c 1 
ATOM   1554 H HA   . LYS   A 1 109 ? 8.55   -1.961  -17.665 1 45.411 ? 121 LYS   B HA   1 c 1 
ATOM   1555 H HB2  . LYS   A 1 109 ? 11.158 -0.843  -17.344 1 41.704 ? 121 LYS   B HB2  1 c 1 
ATOM   1556 H HB3  . LYS   A 1 109 ? 10.55  -1.976  -16.408 1 41.583 ? 121 LYS   B HB3  1 c 1 
ATOM   1557 H HG2  . LYS   A 1 109 ? 10.418 -3.441  -18.324 1 44.719 ? 121 LYS   B HG2  1 c 1 
ATOM   1558 H HG3  . LYS   A 1 109 ? 11.123 -2.317  -19.205 1 44.58  ? 121 LYS   B HG3  1 c 1 
ATOM   1559 H HD2  . LYS   A 1 109 ? 13.095 -2.52   -18.049 1 43.002 ? 121 LYS   B HD2  1 c 1 
ATOM   1560 H HD3  . LYS   A 1 109 ? 12.424 -3.359  -16.908 1 42.413 ? 121 LYS   B HD3  1 c 1 
ATOM   1561 H HE2  . LYS   A 1 109 ? 13.234 -4.288  -19.403 1 47.716 ? 121 LYS   B HE2  1 c 1 
ATOM   1562 H HE3  . LYS   A 1 109 ? 13.791 -4.725  -18.006 1 45.909 ? 121 LYS   B HE3  1 c 1 
ATOM   1563 H HZ1  . LYS   A 1 109 ? 11.393 -5.494  -19.05  1 50.035 ? 121 LYS   B HZ1  1 c 1 
ATOM   1564 H HZ2  . LYS   A 1 109 ? 11.785 -5.807  -17.661 1 48.209 ? 121 LYS   B HZ2  1 c 1 
ATOM   1565 H HZ3  . LYS   A 1 109 ? 12.551 -6.374  -18.79  1 49.891 ? 121 LYS   B HZ3  1 c 1 
ATOM   1566 N N    . ILE   A 1 110 ? 9.003  1.077   -16.75  1 41.506 ? 122 ILE   B N    1 ? 1 
ATOM   1567 C CA   . ILE   A 1 110 ? 8.768  1.989   -15.643 1 43.228 ? 122 ILE   B CA   1 ? 1 
ATOM   1568 C C    . ILE   A 1 110 ? 7.876  3.145   -16.083 1 40.978 ? 122 ILE   B C    1 ? 1 
ATOM   1569 O O    . ILE   A 1 110 ? 8.315  3.955   -16.895 1 41.965 ? 122 ILE   B O    1 ? 1 
ATOM   1570 C CB   . ILE   A 1 110 ? 10.082 2.562   -15.056 1 40.497 ? 122 ILE   B CB   1 ? 1 
ATOM   1571 C CG1  . ILE   A 1 110 ? 11.245 1.538   -14.889 1 42.794 ? 122 ILE   B CG1  1 ? 1 
ATOM   1572 C CG2  . ILE   A 1 110 ? 9.738  3.269   -13.745 1 41.112 ? 122 ILE   B CG2  1 ? 1 
ATOM   1573 C CD1  . ILE   A 1 110 ? 10.892 0.39    -13.978 1 44.293 ? 122 ILE   B CD1  1 ? 1 
ATOM   1574 H H    . ILE   A 1 110 ? 9.408  1.381   -17.511 1 43.442 ? 122 ILE   B H    1 c 1 
ATOM   1575 H HA   . ILE   A 1 110 ? 8.313  1.501   -14.935 1 41.551 ? 122 ILE   B HA   1 c 1 
ATOM   1576 H HB   . ILE   A 1 110 ? 10.398 3.248   -15.677 1 41.822 ? 122 ILE   B HB   1 c 1 
ATOM   1577 H HG12 . ILE   A 1 110 ? 11.485 1.183   -15.769 1 43.391 ? 122 ILE   B HG12 1 c 1 
ATOM   1578 H HG13 . ILE   A 1 110 ? 12.026 2.002   -14.527 1 41.555 ? 122 ILE   B HG13 1 c 1 
ATOM   1579 H HG21 . ILE   A 1 110 ? 10.555 3.451   -13.251 1 39.495 ? 122 ILE   B HG21 1 c 1 
ATOM   1580 H HG22 . ILE   A 1 110 ? 9.159  2.701   -13.209 1 40.562 ? 122 ILE   B HG22 1 c 1 
ATOM   1581 H HG23 . ILE   A 1 110 ? 9.284  4.106   -13.933 1 41.001 ? 122 ILE   B HG23 1 c 1 
ATOM   1582 H HD11 . ILE   A 1 110 ? 10.681 0.729   -13.087 1 42.862 ? 122 ILE   B HD11 1 c 1 
ATOM   1583 H HD12 . ILE   A 1 110 ? 11.655 -0.214  -13.92  1 43.344 ? 122 ILE   B HD12 1 c 1 
ATOM   1584 H HD13 . ILE   A 1 110 ? 10.123 -0.096  -14.328 1 44.705 ? 122 ILE   B HD13 1 c 1 
ATOM   1585 N N    . PRO   A 1 111 ? 6.674  3.326   -15.485 1 42.361 ? 123 PRO   B N    1 ? 1 
ATOM   1586 C CA   . PRO   A 1 111 ? 5.81   4.459   -15.846 1 38.816 ? 123 PRO   B CA   1 ? 1 
ATOM   1587 C C    . PRO   A 1 111 ? 6.342  5.748   -15.247 1 40.745 ? 123 PRO   B C    1 ? 1 
ATOM   1588 O O    . PRO   A 1 111 ? 7.311  5.75    -14.465 1 39.23  ? 123 PRO   B O    1 ? 1 
ATOM   1589 C CB   . PRO   A 1 111 ? 4.431  4.078   -15.353 1 42.077 ? 123 PRO   B CB   1 ? 1 
ATOM   1590 C CG   . PRO   A 1 111 ? 4.676  2.958   -14.33  1 45.585 ? 123 PRO   B CG   1 ? 1 
ATOM   1591 C CD   . PRO   A 1 111 ? 6.08   2.435   -14.468 1 40.242 ? 123 PRO   B CD   1 ? 1 
ATOM   1592 H HA   . PRO   A 1 111 ? 5.79   4.538   -16.833 1 41.818 ? 123 PRO   B HA   1 c 1 
ATOM   1593 H HB2  . PRO   A 1 111 ? 3.984  4.848   -14.93  1 42.66  ? 123 PRO   B HB2  1 c 1 
ATOM   1594 H HB3  . PRO   A 1 111 ? 3.87   3.756   -16.097 1 44.171 ? 123 PRO   B HB3  1 c 1 
ATOM   1595 H HG2  . PRO   A 1 111 ? 4.539  3.302   -13.422 1 42.789 ? 123 PRO   B HG2  1 c 1 
ATOM   1596 H HG3  . PRO   A 1 111 ? 4.036  2.23    -14.474 1 44.702 ? 123 PRO   B HG3  1 c 1 
ATOM   1597 H HD2  . PRO   A 1 111 ? 6.565  2.496   -13.615 1 40.097 ? 123 PRO   B HD2  1 c 1 
ATOM   1598 H HD3  . PRO   A 1 111 ? 6.077  1.5     -14.772 1 42.072 ? 123 PRO   B HD3  1 c 1 
ATOM   1599 N N    . SER   A 1 112 ? 5.705  6.826   -15.658 1 38.113 ? 124 SER   B N    1 ? 1 
ATOM   1600 C CA   . SER   A 1 112 ? 6.005  8.12    -15.089 1 38.392 ? 124 SER   B CA   1 ? 1 
ATOM   1601 C C    . SER   A 1 112 ? 5.757  8.073   -13.572 1 35.439 ? 124 SER   B C    1 ? 1 
ATOM   1602 O O    . SER   A 1 112 ? 4.776  7.517   -13.132 1 35.629 ? 124 SER   B O    1 ? 1 
ATOM   1603 C CB   . SER   A 1 112 ? 5.16   9.157   -15.751 1 37.864 ? 124 SER   B CB   1 ? 1 
ATOM   1604 O OG   . SER   A 1 112 ? 5.296  10.449  -15.132 1 38.456 ? 124 SER   B OG   1 ? 1 
ATOM   1605 H H    . SER   A 1 112 ? 5.068  6.76    -16.311 1 40.658 ? 124 SER   B H    1 c 1 
ATOM   1606 H HA   . SER   A 1 112 ? 6.96   8.326   -15.255 1 36.682 ? 124 SER   B HA   1 c 1 
ATOM   1607 H HB2  . SER   A 1 112 ? 5.416  9.223   -16.69  1 39.45  ? 124 SER   B HB2  1 c 1 
ATOM   1608 H HB3  . SER   A 1 112 ? 4.225  8.88    -15.714 1 39.643 ? 124 SER   B HB3  1 c 1 
ATOM   1609 H HG   . SER   A 1 112 ? 4.797  10.993  -15.545 0 30     ? 124 SER   B HG   1 c 1 
ATOM   1610 N N    . ASN   A 1 113 ? 6.667  8.671   -12.856 1 36.28  ? 125 ASN   B N    1 ? 1 
ATOM   1611 C CA   . ASN   A 1 113 ? 6.475  9.02    -11.444 1 39.522 ? 125 ASN   B CA   1 ? 1 
ATOM   1612 C C    . ASN   A 1 113 ? 6.371  7.748   -10.583 1 37.201 ? 125 ASN   B C    1 ? 1 
ATOM   1613 O O    . ASN   A 1 113 ? 5.559  7.68    -9.628  1 34.844 ? 125 ASN   B O    1 ? 1 
ATOM   1614 C CB   . ASN   A 1 113 ? 5.304  10.001  -11.306 1 39.986 ? 125 ASN   B CB   1 ? 1 
ATOM   1615 C CG   . ASN   A 1 113 ? 5.731  11.37   -11.786 1 40.679 ? 125 ASN   B CG   1 ? 1 
ATOM   1616 O OD1  . ASN   A 1 113 ? 6.941  11.654  -11.803 1 43.757 ? 125 ASN   B OD1  1 ? 1 
ATOM   1617 N ND2  . ASN   A 1 113 ? 4.791  12.224  -12.13  1 46.745 ? 125 ASN   B ND2  1 ? 1 
ATOM   1618 H H    . ASN   A 1 113 ? 7.465  8.881   -13.247 1 36.166 ? 125 ASN   B H    1 c 1 
ATOM   1619 H HA   . ASN   A 1 113 ? 7.283  9.496   -11.149 1 37.45  ? 125 ASN   B HA   1 c 1 
ATOM   1620 H HB2  . ASN   A 1 113 ? 4.543  9.69    -11.834 1 41.355 ? 125 ASN   B HB2  1 c 1 
ATOM   1621 H HB3  . ASN   A 1 113 ? 5.029  10.055  -10.369 1 39.938 ? 125 ASN   B HB3  1 c 1 
ATOM   1622 H HD21 . ASN   A 1 113 ? 5.013  13.024  -12.443 1 46.032 ? 125 ASN   B HD21 1 c 1 
ATOM   1623 H HD22 . ASN   A 1 113 ? 3.936  11.999  -12.049 1 46.215 ? 125 ASN   B HD22 1 c 1 
ATOM   1624 N N    . ALA   A 1 114 ? 7.157  6.719   -10.918 1 31.388 ? 126 ALA   B N    1 ? 1 
ATOM   1625 C CA   . ALA   A 1 114 ? 7.055  5.44    -10.227 1 34.589 ? 126 ALA   B CA   1 ? 1 
ATOM   1626 C C    . ALA   A 1 114 ? 7.951  5.447   -8.956  1 31.552 ? 126 ALA   B C    1 ? 1 
ATOM   1627 O O    . ALA   A 1 114 ? 9.129  5.844   -8.966  1 35.323 ? 126 ALA   B O    1 ? 1 
ATOM   1628 C CB   . ALA   A 1 114 ? 7.442  4.285   -11.084 1 38.502 ? 126 ALA   B CB   1 ? 1 
ATOM   1629 H H    . ALA   A 1 114 ? 7.775  6.815   -11.585 1 33.248 ? 126 ALA   B H    1 c 1 
ATOM   1630 H HA   . ALA   A 1 114 ? 6.108  5.318   -9.939  1 35.011 ? 126 ALA   B HA   1 c 1 
ATOM   1631 H HB1  . ALA   A 1 114 ? 6.871  4.255   -11.87  1 38.468 ? 126 ALA   B HB1  1 c 1 
ATOM   1632 H HB2  . ALA   A 1 114 ? 8.368  4.381   -11.364 1 36.634 ? 126 ALA   B HB2  1 c 1 
ATOM   1633 H HB3  . ALA   A 1 114 ? 7.343  3.458   -10.584 1 37.071 ? 126 ALA   B HB3  1 c 1 
ATOM   1634 N N    . THR   A 1 115 ? 7.352  4.988   -7.881  1 33.217 ? 127 THR   B N    1 ? 1 
ATOM   1635 C CA   . THR   A 1 115 ? 8.088  4.576   -6.675  1 31.795 ? 127 THR   B CA   1 ? 1 
ATOM   1636 C C    . THR   A 1 115 ? 8.469  3.081   -6.819  1 32.222 ? 127 THR   B C    1 ? 1 
ATOM   1637 O O    . THR   A 1 115 ? 7.634  2.235   -7.109  1 35.339 ? 127 THR   B O    1 ? 1 
ATOM   1638 C CB   . THR   A 1 115 ? 7.195  4.833   -5.471  1 34.217 ? 127 THR   B CB   1 ? 1 
ATOM   1639 O OG1  . THR   A 1 115 ? 7.065  6.272   -5.354  1 32.435 ? 127 THR   B OG1  1 ? 1 
ATOM   1640 C CG2  . THR   A 1 115 ? 7.767  4.312   -4.157  1 36.997 ? 127 THR   B CG2  1 ? 1 
ATOM   1641 H H    . THR   A 1 115 ? 6.441  4.923   -7.877  1 33.732 ? 127 THR   B H    1 c 1 
ATOM   1642 H HA   . THR   A 1 115 ? 8.901  5.117   -6.594  1 31.611 ? 127 THR   B HA   1 c 1 
ATOM   1643 H HB   . THR   A 1 115 ? 6.305  4.433   -5.621  1 35.008 ? 127 THR   B HB   1 c 1 
ATOM   1644 H HG1  . THR   A 1 115 ? 7.849  6.622   -5.234  0 30     ? 127 THR   B HG1  1 c 1 
ATOM   1645 H HG21 . THR   A 1 115 ? 7.218  4.624   -3.418  1 36.398 ? 127 THR   B HG21 1 c 1 
ATOM   1646 H HG22 . THR   A 1 115 ? 8.675  4.639   -4.045  1 35.082 ? 127 THR   B HG22 1 c 1 
ATOM   1647 H HG23 . THR   A 1 115 ? 7.772  3.34    -4.165  1 35.995 ? 127 THR   B HG23 1 c 1 
ATOM   1648 N N    . LEU   A 1 116 ? 9.718  2.771   -6.451  1 29.993 ? 128 LEU   B N    1 ? 1 
ATOM   1649 C CA   . LEU   A 1 116 ? 10.348 1.46    -6.626  1 28.642 ? 128 LEU   B CA   1 ? 1 
ATOM   1650 C C    . LEU   A 1 116 ? 10.8   0.92    -5.263  1 32.845 ? 128 LEU   B C    1 ? 1 
ATOM   1651 O O    . LEU   A 1 116 ? 11.21  1.681   -4.419  1 28.986 ? 128 LEU   B O    1 ? 1 
ATOM   1652 C CB   . LEU   A 1 116 ? 11.626 1.595   -7.449  1 33.164 ? 128 LEU   B CB   1 ? 1 
ATOM   1653 C CG   . LEU   A 1 116 ? 11.553 2.115   -8.883  1 38.866 ? 128 LEU   B CG   1 ? 1 
ATOM   1654 C CD1  . LEU   A 1 116 ? 12.798 1.687   -9.67   1 39.76  ? 128 LEU   B CD1  1 ? 1 
ATOM   1655 C CD2  . LEU   A 1 116 ? 10.304 1.745   -9.446  1 38.985 ? 128 LEU   B CD2  1 ? 1 
ATOM   1656 H H    . LEU   A 1 116 ? 10.217 3.428   -6.057  1 29.45  ? 128 LEU   B H    1 c 1 
ATOM   1657 H HA   . LEU   A 1 116 ? 9.716  0.831   -7.056  1 31.437 ? 128 LEU   B HA   1 c 1 
ATOM   1658 H HB2  . LEU   A 1 116 ? 12.242 2.179   -6.95   1 32.329 ? 128 LEU   B HB2  1 c 1 
ATOM   1659 H HB3  . LEU   A 1 116 ? 12.059 0.71    -7.472  1 33.021 ? 128 LEU   B HB3  1 c 1 
ATOM   1660 H HG   . LEU   A 1 116 ? 11.567 3.106   -8.84   1 37.66  ? 128 LEU   B HG   1 c 1 
ATOM   1661 H HD11 . LEU   A 1 116 ? 13.594 2.037   -9.236  1 38.847 ? 128 LEU   B HD11 1 c 1 
ATOM   1662 H HD12 . LEU   A 1 116 ? 12.745 2.036   -10.575 1 39.94  ? 128 LEU   B HD12 1 c 1 
ATOM   1663 H HD13 . LEU   A 1 116 ? 12.847 0.717   -9.701  1 39.668 ? 128 LEU   B HD13 1 c 1 
ATOM   1664 H HD21 . LEU   A 1 116 ? 9.599  2.296   -9.07   1 39.298 ? 128 LEU   B HD21 1 c 1 
ATOM   1665 H HD22 . LEU   A 1 116 ? 10.122 0.809   -9.257  1 39.395 ? 128 LEU   B HD22 1 c 1 
ATOM   1666 H HD23 . LEU   A 1 116 ? 10.333 1.877   -10.409 1 39.784 ? 128 LEU   B HD23 1 c 1 
ATOM   1667 N N    . PHE   A 1 117 ? 10.809 -0.406  -5.142  1 34.108 ? 129 PHE   B N    1 ? 1 
ATOM   1668 C CA   . PHE   A 1 117 ? 11.215 -1.109  -3.932  1 33.734 ? 129 PHE   B CA   1 ? 1 
ATOM   1669 C C    . PHE   A 1 117 ? 12.239 -2.149  -4.346  1 31.918 ? 129 PHE   B C    1 ? 1 
ATOM   1670 O O    . PHE   A 1 117 ? 12.02  -2.85   -5.363  1 32.103 ? 129 PHE   B O    1 ? 1 
ATOM   1671 C CB   . PHE   A 1 117 ? 10.019 -1.751  -3.25   1 31.266 ? 129 PHE   B CB   1 ? 1 
ATOM   1672 C CG   . PHE   A 1 117 ? 10.437 -2.749  -2.174  1 37.031 ? 129 PHE   B CG   1 ? 1 
ATOM   1673 C CD1  . PHE   A 1 117 ? 10.734 -4.078  -2.496  1 35.086 ? 129 PHE   B CD1  1 ? 1 
ATOM   1674 C CD2  . PHE   A 1 117 ? 10.623 -2.361  -0.851  1 33.765 ? 129 PHE   B CD2  1 ? 1 
ATOM   1675 C CE1  . PHE   A 1 117 ? 11.202 -4.958  -1.518  1 38.717 ? 129 PHE   B CE1  1 ? 1 
ATOM   1676 C CE2  . PHE   A 1 117 ? 11.006 -3.274  0.122   1 33.198 ? 129 PHE   B CE2  1 ? 1 
ATOM   1677 C CZ   . PHE   A 1 117 ? 11.335 -4.548  -0.218  1 32.915 ? 129 PHE   B CZ   1 ? 1 
ATOM   1678 H H    . PHE   A 1 117 ? 10.545 -0.907  -5.859  1 34.348 ? 129 PHE   B H    1 c 1 
ATOM   1679 H HA   . PHE   A 1 117 ? 11.635 -0.464  -3.309  1 32.129 ? 129 PHE   B HA   1 c 1 
ATOM   1680 H HB2  . PHE   A 1 117 ? 9.47   -1.045  -2.841  1 33.251 ? 129 PHE   B HB2  1 c 1 
ATOM   1681 H HB3  . PHE   A 1 117 ? 9.478  -2.214  -3.928  1 33.958 ? 129 PHE   B HB3  1 c 1 
ATOM   1682 H HD1  . PHE   A 1 117 ? 10.673 -4.365  -3.393  1 36.591 ? 129 PHE   B HD1  1 c 1 
ATOM   1683 H HD2  . PHE   A 1 117 ? 10.414 -1.476  -0.598  1 33.815 ? 129 PHE   B HD2  1 c 1 
ATOM   1684 H HE1  . PHE   A 1 117 ? 11.382 -5.856  -1.747  1 37.216 ? 129 PHE   B HE1  1 c 1 
ATOM   1685 H HE2  . PHE   A 1 117 ? 11.12  -2.984  1.013   1 33.265 ? 129 PHE   B HE2  1 c 1 
ATOM   1686 H HZ   . PHE   A 1 117 ? 11.603 -5.162  0.447   1 34.908 ? 129 PHE   B HZ   1 c 1 
ATOM   1687 N N    . PHE   A 1 118 ? 13.313 -2.275  -3.564  1 31.687 ? 130 PHE   B N    1 ? 1 
ATOM   1688 C CA   . PHE   A 1 118 ? 14.284 -3.34   -3.767  1 28.112 ? 130 PHE   B CA   1 ? 1 
ATOM   1689 C C    . PHE   A 1 118 ? 14.685 -3.951  -2.438  1 32.328 ? 130 PHE   B C    1 ? 1 
ATOM   1690 O O    . PHE   A 1 118 ? 14.776 -3.264  -1.395  1 32.844 ? 130 PHE   B O    1 ? 1 
ATOM   1691 C CB   . PHE   A 1 118 ? 15.593 -2.81   -4.357  1 27.59  ? 130 PHE   B CB   1 ? 1 
ATOM   1692 C CG   . PHE   A 1 118 ? 15.456 -2.235  -5.753  1 31.869 ? 130 PHE   B CG   1 ? 1 
ATOM   1693 C CD1  . PHE   A 1 118 ? 15.037 -0.923  -5.966  1 32.824 ? 130 PHE   B CD1  1 ? 1 
ATOM   1694 C CD2  . PHE   A 1 118 ? 15.774 -3.007  -6.851  1 32.906 ? 130 PHE   B CD2  1 ? 1 
ATOM   1695 C CE1  . PHE   A 1 118 ? 14.997 -0.401  -7.23   1 32.615 ? 130 PHE   B CE1  1 ? 1 
ATOM   1696 C CE2  . PHE   A 1 118 ? 15.738 -2.467  -8.131  1 31.467 ? 130 PHE   B CE2  1 ? 1 
ATOM   1697 C CZ   . PHE   A 1 118 ? 15.402 -1.151  -8.294  1 30.207 ? 130 PHE   B CZ   1 ? 1 
ATOM   1698 H H    . PHE   A 1 118 ? 13.448 -1.68   -2.884  1 30.3   ? 130 PHE   B H    1 c 1 
ATOM   1699 H HA   . PHE   A 1 118 ? 13.903 -4.035  -4.362  1 30.287 ? 130 PHE   B HA   1 c 1 
ATOM   1700 H HB2  . PHE   A 1 118 ? 15.945 -2.113  -3.76   1 28.008 ? 130 PHE   B HB2  1 c 1 
ATOM   1701 H HB3  . PHE   A 1 118 ? 16.246 -3.545  -4.379  1 28.973 ? 130 PHE   B HB3  1 c 1 
ATOM   1702 H HD1  . PHE   A 1 118 ? 14.833 -0.374  -5.225  1 31.919 ? 130 PHE   B HD1  1 c 1 
ATOM   1703 H HD2  . PHE   A 1 118 ? 16.086 -3.889  -6.725  1 32.927 ? 130 PHE   B HD2  1 c 1 
ATOM   1704 H HE1  . PHE   A 1 118 ? 14.733 0.496   -7.359  1 31.688 ? 130 PHE   B HE1  1 c 1 
ATOM   1705 H HE2  . PHE   A 1 118 ? 15.979 -2.994  -8.876  1 32.373 ? 130 PHE   B HE2  1 c 1 
ATOM   1706 H HZ   . PHE   A 1 118 ? 15.303 -0.805  -9.167  1 31.417 ? 130 PHE   B HZ   1 c 1 
ATOM   1707 N N    . GLU   A 1 119 ? 14.949 -5.254  -2.519  1 31.904 ? 131 GLU   B N    1 ? 1 
ATOM   1708 C CA   . GLU   A 1 119 ? 15.794 -5.958  -1.556  1 32.274 ? 131 GLU   B CA   1 ? 1 
ATOM   1709 C C    . GLU   A 1 119 ? 17.087 -6.233  -2.268  1 30.855 ? 131 GLU   B C    1 ? 1 
ATOM   1710 O O    . GLU   A 1 119 ? 17.127 -6.78   -3.395  1 35.859 ? 131 GLU   B O    1 ? 1 
ATOM   1711 C CB   . GLU   A 1 119 ? 15.172 -7.246  -1.031  1 35.632 ? 131 GLU   B CB   1 ? 1 
ATOM   1712 C CG   . GLU   A 1 119 ? 16.066 -8.118  -0.145  1 39.721 ? 131 GLU   B CG   1 ? 1 
ATOM   1713 C CD   . GLU   A 1 119 ? 15.334 -9.352  0.35    1 40.161 ? 131 GLU   B CD   1 ? 1 
ATOM   1714 O OE1  . GLU   A 1 119 ? 14.479 -9.275  1.267   1 42.682 ? 131 GLU   B OE1  1 ? 1 
ATOM   1715 O OE2  . GLU   A 1 119 ? 15.695 -10.427 -0.255  1 37.484 ? 131 GLU   B OE2  1 ? 1 
ATOM   1716 H H    . GLU   A 1 119 ? 14.583 -5.735  -3.205  1 32.695 ? 131 GLU   B H    1 c 1 
ATOM   1717 H HA   . GLU   A 1 119 ? 15.965 -5.355  -0.793  1 31.94  ? 131 GLU   B HA   1 c 1 
ATOM   1718 H HB2  . GLU   A 1 119 ? 14.368 -7.017  -0.522  1 35.928 ? 131 GLU   B HB2  1 c 1 
ATOM   1719 H HB3  . GLU   A 1 119 ? 14.89  -7.788  -1.798  1 36.431 ? 131 GLU   B HB3  1 c 1 
ATOM   1720 H HG2  . GLU   A 1 119 ? 16.857 -8.398  -0.651  1 38.867 ? 131 GLU   B HG2  1 c 1 
ATOM   1721 H HG3  . GLU   A 1 119 ? 16.367 -7.596  0.629   1 38.277 ? 131 GLU   B HG3  1 c 1 
ATOM   1722 N N    . ILE   A 1 120 ? 18.157 -5.845  -1.582  1 33.114 ? 132 ILE   B N    1 ? 1 
ATOM   1723 C CA   . ILE   A 1 120 ? 19.485 -5.945  -2.123  1 31.203 ? 132 ILE   B CA   1 ? 1 
ATOM   1724 C C    . ILE   A 1 120 ? 20.337 -6.717  -1.141  1 35.321 ? 132 ILE   B C    1 ? 1 
ATOM   1725 O O    . ILE   A 1 120 ? 20.398 -6.344  0.028   1 30.931 ? 132 ILE   B O    1 ? 1 
ATOM   1726 C CB   . ILE   A 1 120 ? 20.158 -4.586  -2.469  1 31.164 ? 132 ILE   B CB   1 ? 1 
ATOM   1727 C CG1  . ILE   A 1 120 ? 19.257 -3.708  -3.356  1 29.201 ? 132 ILE   B CG1  1 ? 1 
ATOM   1728 C CG2  . ILE   A 1 120 ? 21.499 -4.819  -3.127  1 35.151 ? 132 ILE   B CG2  1 ? 1 
ATOM   1729 C CD1  . ILE   A 1 120 ? 19.806 -2.295  -3.55   1 28.73  ? 132 ILE   B CD1  1 ? 1 
ATOM   1730 H H    . ILE   A 1 120 ? 18.053 -5.506  -0.739  1 31.802 ? 132 ILE   B H    1 c 1 
ATOM   1731 H HA   . ILE   A 1 120 ? 19.433 -6.463  -2.949  1 32.799 ? 132 ILE   B HA   1 c 1 
ATOM   1732 H HB   . ILE   A 1 120 ? 20.312 -4.106  -1.63   1 31.127 ? 132 ILE   B HB   1 c 1 
ATOM   1733 H HG12 . ILE   A 1 120 ? 19.161 -4.135  -4.232  1 29.838 ? 132 ILE   B HG12 1 c 1 
ATOM   1734 H HG13 . ILE   A 1 120 ? 18.368 -3.65   -2.949  1 29.247 ? 132 ILE   B HG13 1 c 1 
ATOM   1735 H HG21 . ILE   A 1 120 ? 21.902 -3.967  -3.362  1 33.718 ? 132 ILE   B HG21 1 c 1 
ATOM   1736 H HG22 . ILE   A 1 120 ? 21.379 -5.351  -3.932  1 34.552 ? 132 ILE   B HG22 1 c 1 
ATOM   1737 H HG23 . ILE   A 1 120 ? 22.088 -5.291  -2.515  1 34.811 ? 132 ILE   B HG23 1 c 1 
ATOM   1738 H HD11 . ILE   A 1 120 ? 20.129 -1.95   -2.696  1 28.596 ? 132 ILE   B HD11 1 c 1 
ATOM   1739 H HD12 . ILE   A 1 120 ? 19.097 -1.714  -3.885  1 28.198 ? 132 ILE   B HD12 1 c 1 
ATOM   1740 H HD13 . ILE   A 1 120 ? 20.541 -2.311  -4.191  1 29.065 ? 132 ILE   B HD13 1 c 1 
ATOM   1741 N N    . GLU   A 1 121 ? 21.06  -7.688  -1.736  1 34.879 ? 133 GLU   B N    1 ? 1 
ATOM   1742 C CA   . GLU   A 1 121 ? 22.146 -8.338  -1.012  1 38.092 ? 133 GLU   B CA   1 ? 1 
ATOM   1743 C C    . GLU   A 1 121 ? 23.466 -7.957  -1.672  1 39.046 ? 133 GLU   B C    1 ? 1 
ATOM   1744 O O    . GLU   A 1 121 ? 23.671 -8.261  -2.878  1 37.891 ? 133 GLU   B O    1 ? 1 
ATOM   1745 C CB   . GLU   A 1 121 ? 21.993 -9.86   -1.002  1 39.668 ? 133 GLU   B CB   1 ? 1 
ATOM   1746 C CG   . GLU   A 1 121 ? 23.087 -10.558 -0.185  1 43.461 ? 133 GLU   B CG   1 ? 1 
ATOM   1747 C CD   . GLU   A 1 121 ? 22.984 -12.075 -0.039  1 44.029 ? 133 GLU   B CD   1 ? 1 
ATOM   1748 O OE1  . GLU   A 1 121 ? 21.955 -12.71  -0.371  1 44.275 ? 133 GLU   B OE1  1 ? 1 
ATOM   1749 O OE2  . GLU   A 1 121 ? 23.998 -12.653 0.413   1 38.582 ? 133 GLU   B OE2  1 ? 1 
ATOM   1750 H H    . GLU   A 1 121 ? 20.874 -7.948  -2.593  1 35.812 ? 133 GLU   B H    1 c 1 
ATOM   1751 H HA   . GLU   A 1 121 ? 22.142 -8.014  -0.079  1 37.563 ? 133 GLU   B HA   1 c 1 
ATOM   1752 H HB2  . GLU   A 1 121 ? 21.116 -10.089 -0.629  1 40.106 ? 133 GLU   B HB2  1 c 1 
ATOM   1753 H HB3  . GLU   A 1 121 ? 22.02  -10.188 -1.925  1 40.493 ? 133 GLU   B HB3  1 c 1 
ATOM   1754 H HG2  . GLU   A 1 121 ? 23.956 -10.354 -0.59   1 42.881 ? 133 GLU   B HG2  1 c 1 
ATOM   1755 H HG3  . GLU   A 1 121 ? 23.097 -10.168 0.715   1 42.351 ? 133 GLU   B HG3  1 c 1 
ATOM   1756 N N    . LEU   A 1 122 ? 24.319 -7.349  -0.859  1 35.978 ? 134 LEU   B N    1 ? 1 
ATOM   1757 C CA   . LEU   A 1 122 ? 25.676 -6.976  -1.24   1 39.862 ? 134 LEU   B CA   1 ? 1 
ATOM   1758 C C    . LEU   A 1 122 ? 26.626 -8.174  -1.115  1 44.123 ? 134 LEU   B C    1 ? 1 
ATOM   1759 O O    . LEU   A 1 122 ? 26.978 -8.594  -0.013  1 41.377 ? 134 LEU   B O    1 ? 1 
ATOM   1760 C CB   . LEU   A 1 122 ? 26.204 -5.819  -0.382  1 39.336 ? 134 LEU   B CB   1 ? 1 
ATOM   1761 C CG   . LEU   A 1 122 ? 27.608 -5.283  -0.736  1 40.336 ? 134 LEU   B CG   1 ? 1 
ATOM   1762 C CD1  . LEU   A 1 122 ? 27.777 -4.947  -2.262  1 40.105 ? 134 LEU   B CD1  1 ? 1 
ATOM   1763 C CD2  . LEU   A 1 122 ? 27.784 -4.014  0.051   1 38.12  ? 134 LEU   B CD2  1 ? 1 
ATOM   1764 H H    . LEU   A 1 122 ? 24.044 -7.15   -0.011  1 37.167 ? 134 LEU   B H    1 c 1 
ATOM   1765 H HA   . LEU   A 1 122 ? 25.659 -6.688  -2.188  1 39.202 ? 134 LEU   B HA   1 c 1 
ATOM   1766 H HB2  . LEU   A 1 122 ? 25.562 -5.075  -0.447  1 38.112 ? 134 LEU   B HB2  1 c 1 
ATOM   1767 H HB3  . LEU   A 1 122 ? 26.214 -6.115  0.558   1 39.822 ? 134 LEU   B HB3  1 c 1 
ATOM   1768 H HG   . LEU   A 1 122 ? 28.293 -5.945  -0.459  1 41.426 ? 134 LEU   B HG   1 c 1 
ATOM   1769 H HD11 . LEU   A 1 122 ? 27.778 -5.771  -2.778  1 40.729 ? 134 LEU   B HD11 1 c 1 
ATOM   1770 H HD12 . LEU   A 1 122 ? 28.618 -4.479  -2.4    1 40.861 ? 134 LEU   B HD12 1 c 1 
ATOM   1771 H HD13 . LEU   A 1 122 ? 27.042 -4.384  -2.554  1 38.851 ? 134 LEU   B HD13 1 c 1 
ATOM   1772 H HD21 . LEU   A 1 122 ? 27.459 -4.143  0.956   1 38.567 ? 134 LEU   B HD21 1 c 1 
ATOM   1773 H HD22 . LEU   A 1 122 ? 27.282 -3.297  -0.373  1 37.524 ? 134 LEU   B HD22 1 c 1 
ATOM   1774 H HD23 . LEU   A 1 122 ? 28.726 -3.776  0.077   1 39.701 ? 134 LEU   B HD23 1 c 1 
ATOM   1775 N N    . LEU   A 1 123 ? 27.112 -8.707  -2.266  1 44.237 ? 135 LEU   B N    1 ? 1 
ATOM   1776 C CA   . LEU   A 1 123 ? 27.865 -9.947  -2.221  1 44.458 ? 135 LEU   B CA   1 ? 1 
ATOM   1777 C C    . LEU   A 1 123 ? 29.35  -9.64   -2.033  1 50.673 ? 135 LEU   B C    1 ? 1 
ATOM   1778 O O    . LEU   A 1 123 ? 30.054 -10.328 -1.275  1 54.608 ? 135 LEU   B O    1 ? 1 
ATOM   1779 C CB   . LEU   A 1 123 ? 27.606 -10.772 -3.472  1 46.003 ? 135 LEU   B CB   1 ? 1 
ATOM   1780 C CG   . LEU   A 1 123 ? 26.153 -11.15  -3.744  1 45.93  ? 135 LEU   B CG   1 ? 1 
ATOM   1781 C CD1  . LEU   A 1 123 ? 26.065 -11.817 -5.134  1 50.136 ? 135 LEU   B CD1  1 ? 1 
ATOM   1782 C CD2  . LEU   A 1 123 ? 25.682 -12.076 -2.627  1 50.681 ? 135 LEU   B CD2  1 ? 1 
ATOM   1783 H H    . LEU   A 1 123 ? 26.964 -8.297  -3.069  1 43.347 ? 135 LEU   B H    1 c 1 
ATOM   1784 H HA   . LEU   A 1 123 ? 27.56  -10.464 -1.432  1 46.18  ? 135 LEU   B HA   1 c 1 
ATOM   1785 H HB2  . LEU   A 1 123 ? 27.946 -10.266 -4.246  1 45.916 ? 135 LEU   B HB2  1 c 1 
ATOM   1786 H HB3  . LEU   A 1 123 ? 28.136 -11.6   -3.407  1 47.778 ? 135 LEU   B HB3  1 c 1 
ATOM   1787 H HG   . LEU   A 1 123 ? 25.6   -10.327 -3.741  1 45.39  ? 135 LEU   B HG   1 c 1 
ATOM   1788 H HD11 . LEU   A 1 123 ? 26.591 -11.308 -5.774  1 49.105 ? 135 LEU   B HD11 1 c 1 
ATOM   1789 H HD12 . LEU   A 1 123 ? 25.139 -11.838 -5.425  1 48.425 ? 135 LEU   B HD12 1 c 1 
ATOM   1790 H HD13 . LEU   A 1 123 ? 26.409 -12.724 -5.083  1 50.816 ? 135 LEU   B HD13 1 c 1 
ATOM   1791 H HD21 . LEU   A 1 123 ? 25.567 -11.567 -1.808  1 48.573 ? 135 LEU   B HD21 1 c 1 
ATOM   1792 H HD22 . LEU   A 1 123 ? 26.343 -12.773 -2.483  1 51.037 ? 135 LEU   B HD22 1 c 1 
ATOM   1793 H HD23 . LEU   A 1 123 ? 24.835 -12.481 -2.877  1 49.292 ? 135 LEU   B HD23 1 c 1 
ATOM   1794 N N    . ASP   A 1 124 ? 29.821 -8.609  -2.733  1 47.141 ? 136 ASP   B N    1 ? 1 
ATOM   1795 C CA   . ASP   A 1 124 ? 31.245 -8.294  -2.764  1 50.7   ? 136 ASP   B CA   1 ? 1 
ATOM   1796 C C    . ASP   A 1 124 ? 31.424 -6.952  -3.477  1 50.646 ? 136 ASP   B C    1 ? 1 
ATOM   1797 O O    . ASP   A 1 124 ? 30.519 -6.498  -4.191  1 45.381 ? 136 ASP   B O    1 ? 1 
ATOM   1798 C CB   . ASP   A 1 124 ? 32.051 -9.43   -3.389  1 56.604 ? 136 ASP   B CB   1 ? 1 
ATOM   1799 C CG   . ASP   A 1 124 ? 33.537 -9.489  -3.077  1 65.943 ? 136 ASP   B CG   1 ? 1 
ATOM   1800 O OD1  . ASP   A 1 124 ? 34.037 -8.6    -2.353  1 64.076 ? 136 ASP   B OD1  1 ? 1 
ATOM   1801 O OD2  . ASP   A 1 124 ? 34.176 -10.447 -3.57   1 72.613 ? 136 ASP   B OD2  1 ? 1 
ATOM   1802 H H    . ASP   A 1 124 ? 29.244 -8.088  -3.213  1 46.882 ? 136 ASP   B H    1 c 1 
ATOM   1803 H HA   . ASP   A 1 124 ? 31.552 -8.192  -1.834  1 51.573 ? 136 ASP   B HA   1 c 1 
ATOM   1804 H HB2  . ASP   A 1 124 ? 31.666 -10.29  -3.125  1 57.547 ? 136 ASP   B HB2  1 c 1 
ATOM   1805 H HB3  . ASP   A 1 124 ? 31.961 -9.359  -4.363  1 57.065 ? 136 ASP   B HB3  1 c 1 
ATOM   1806 N N    . PHE   A 1 125 ? 32.599 -6.337  -3.254  1 52.312 ? 137 PHE   B N    1 ? 1 
ATOM   1807 C CA   . PHE   A 1 125 ? 33.053 -5.173  -3.994  1 54.102 ? 137 PHE   B CA   1 ? 1 
ATOM   1808 C C    . PHE   A 1 125 ? 34.576 -5.074  -3.967  1 55.005 ? 137 PHE   B C    1 ? 1 
ATOM   1809 O O    . PHE   A 1 125 ? 35.212 -5.529  -3.033  1 63.466 ? 137 PHE   B O    1 ? 1 
ATOM   1810 C CB   . PHE   A 1 125 ? 32.424 -3.896  -3.448  1 52.478 ? 137 PHE   B CB   1 ? 1 
ATOM   1811 C CG   . PHE   A 1 125 ? 32.669 -3.589  -1.982  1 50.292 ? 137 PHE   B CG   1 ? 1 
ATOM   1812 C CD1  . PHE   A 1 125 ? 31.815 -4.091  -1.008  1 51.403 ? 137 PHE   B CD1  1 ? 1 
ATOM   1813 C CD2  . PHE   A 1 125 ? 33.702 -2.747  -1.605  1 52.643 ? 137 PHE   B CD2  1 ? 1 
ATOM   1814 C CE1  . PHE   A 1 125 ? 32.016 -3.766  0.326   1 48.467 ? 137 PHE   B CE1  1 ? 1 
ATOM   1815 C CE2  . PHE   A 1 125 ? 33.88  -2.406  -0.283  1 52.198 ? 137 PHE   B CE2  1 ? 1 
ATOM   1816 C CZ   . PHE   A 1 125 ? 33.034 -2.903  0.68    1 51.421 ? 137 PHE   B CZ   1 ? 1 
ATOM   1817 H H    . PHE   A 1 125 ? 33.141 -6.666  -2.595  1 53.889 ? 137 PHE   B H    1 c 1 
ATOM   1818 H HA   . PHE   A 1 125 ? 32.765 -5.282  -4.936  1 53.166 ? 137 PHE   B HA   1 c 1 
ATOM   1819 H HB2  . PHE   A 1 125 ? 32.755 -3.141  -3.983  1 52.061 ? 137 PHE   B HB2  1 c 1 
ATOM   1820 H HB3  . PHE   A 1 125 ? 31.453 -3.949  -3.596  1 50.207 ? 137 PHE   B HB3  1 c 1 
ATOM   1821 H HD1  . PHE   A 1 125 ? 31.102 -4.658  -1.255  1 49.208 ? 137 PHE   B HD1  1 c 1 
ATOM   1822 H HD2  . PHE   A 1 125 ? 34.266 -2.377  -2.265  1 53.169 ? 137 PHE   B HD2  1 c 1 
ATOM   1823 H HE1  . PHE   A 1 125 ? 31.438 -4.111  0.988   1 48.992 ? 137 PHE   B HE1  1 c 1 
ATOM   1824 H HE2  . PHE   A 1 125 ? 34.593 -1.839  -0.036  1 53.744 ? 137 PHE   B HE2  1 c 1 
ATOM   1825 H HZ   . PHE   A 1 125 ? 33.185 -2.701  1.59    1 51.506 ? 137 PHE   B HZ   1 c 1 
ATOM   1826 N N    . LYS   A 1 126 ? 35.137 -4.489  -5.033  1 60.605 ? 138 LYS   B N    1 ? 1 
ATOM   1827 C CA   . LYS   A 1 126 ? 36.576 -4.473  -5.318  1 59.416 ? 138 LYS   B CA   1 ? 1 
ATOM   1828 C C    . LYS   A 1 126 ? 36.89  -3.096  -5.917  1 57.987 ? 138 LYS   B C    1 ? 1 
ATOM   1829 O O    . LYS   A 1 126 ? 36.107 -2.568  -6.705  1 53.264 ? 138 LYS   B O    1 ? 1 
ATOM   1830 C CB   . LYS   A 1 126 ? 37.018 -5.63   -6.237  1 56.073 ? 138 LYS   B CB   1 ? 1 
ATOM   1831 H H    . LYS   A 1 126 ? 34.582 -4.069  -5.626  1 57.167 ? 138 LYS   B H    1 c 1 
ATOM   1832 H HA   . LYS   A 1 126 ? 37.062 -4.557  -4.459  1 59.844 ? 138 LYS   B HA   1 c 1 
ATOM   1833 H HB2  . LYS   A 1 126 ? 37.997 -5.663  -6.264  0 30     ? 138 LYS   B HB2  1 c 1 
ATOM   1834 H HB3  . LYS   A 1 126 ? 36.216 -6.078  -6.595  0 30     ? 138 LYS   B HB3  1 c 1 
ATOM   1835 N N    . GLY   A 1 127 ? 38.007 -2.489  -5.496  1 61.817 ? 139 GLY   B N    1 ? 1 
ATOM   1836 C CA   . GLY   A 1 127 ? 38.416 -1.169  -5.973  1 62.805 ? 139 GLY   B CA   1 ? 1 
ATOM   1837 C C    . GLY   A 1 127 ? 38.915 -1.271  -7.406  1 67.494 ? 139 GLY   B C    1 ? 1 
ATOM   1838 O O    . GLY   A 1 127 ? 39.615 -2.227  -7.7    1 74.51  ? 139 GLY   B O    1 ? 1 
ATOM   1839 H H    . GLY   A 1 127 ? 38.54  -2.915  -4.887  1 62.816 ? 139 GLY   B H    1 c 1 
ATOM   1840 H HA2  . GLY   A 1 127 ? 37.651 -0.553  -5.928  1 61.366 ? 139 GLY   B HA2  1 c 1 
ATOM   1841 H HA3  . GLY   A 1 127 ? 39.132 -0.818  -5.392  1 64.936 ? 139 GLY   B HA3  1 c 1 
ATOM   1842 N N    . GLU   A 1 128 ? 38.6   -0.281  -8.25   1 68.98  ? 140 GLU   B N    1 ? 1 
ATOM   1843 C CA   . GLU   A 1 128 ? 38.914 -0.31   -9.678  1 71.228 ? 140 GLU   B CA   1 ? 1 
ATOM   1844 C C    . GLU   A 1 128 ? 40.419 -0.521  -9.914  1 75.27  ? 140 GLU   B C    1 ? 1 
ATOM   1845 O O    . GLU   A 1 128 ? 40.917 0.085   -10.879 1 89.084 ? 140 GLU   B O    1 ? 1 
ATOM   1846 C CB   . GLU   A 1 128 ? 38.467 0.962   -10.405 1 66.012 ? 140 GLU   B CB   1 ? 1 
ATOM   1847 O OXT  . GLU   A 1 128 ? 41.047 -1.316  -9.178  1 73.496 ? 140 GLU   B OXT  1 ? 1 
ATOM   1848 H H    . GLU   A 1 128 ? 38.167 0.452   -7.917  1 67.21  ? 140 GLU   B H    1 c 1 
ATOM   1849 H HA   . GLU   A 1 128 ? 38.43  -1.076  -10.079 1 69.408 ? 140 GLU   B HA   1 c 1 
ATOM   1850 H HB2  . GLU   A 1 128 ? 39.258 1.463   -10.66  0 30     ? 140 GLU   B HB2  1 c 1 
ATOM   1851 H HB3  . GLU   A 1 128 ? 37.483 0.988   -10.392 0 30     ? 140 GLU   B HB3  1 c 1 
ATOM   1852 N N    . GLY   B 1 1   ? -5.063 20.719  -38.869 1 53.867 ? 13  GLY   A N    1 ? 2 
ATOM   1853 C CA   . GLY   B 1 1   ? -4.038 21.275  -37.991 1 51.768 ? 13  GLY   A CA   1 ? 2 
ATOM   1854 C C    . GLY   B 1 1   ? -2.709 20.584  -38.237 1 50.335 ? 13  GLY   A C    1 ? 2 
ATOM   1855 O O    . GLY   B 1 1   ? -2.628 19.558  -38.912 1 49.61  ? 13  GLY   A O    1 ? 2 
ATOM   1856 H H1   . GLY   B 1 1   ? -5.854 21.132  -38.721 1 55.468 ? 13  GLY   A H1   1 c 2 
ATOM   1857 H H2   . GLY   B 1 1   ? -5.161 19.833  -38.711 1 52.795 ? 13  GLY   A H2   1 c 2 
ATOM   1858 H H3   . GLY   B 1 1   ? -4.829 20.838  -39.735 1 55.083 ? 13  GLY   A H3   1 c 2 
ATOM   1859 H HA2  . GLY   B 1 1   ? -3.948 22.238  -38.162 1 53.351 ? 13  GLY   A HA2  1 c 2 
ATOM   1860 H HA3  . GLY   B 1 1   ? -4.31  21.153  -37.051 1 50.911 ? 13  GLY   A HA3  1 c 2 
ATOM   1861 N N    . ALA   B 1 2   ? -1.673 21.206  -37.688 1 47.626 ? 14  ALA   A N    1 ? 2 
ATOM   1862 C CA   . ALA   B 1 2   ? -0.35  20.635  -37.62  1 43.312 ? 14  ALA   A CA   1 ? 2 
ATOM   1863 C C    . ALA   B 1 2   ? -0.365 19.144  -37.253 1 37.854 ? 14  ALA   A C    1 ? 2 
ATOM   1864 O O    . ALA   B 1 2   ? 0.248  18.358  -37.978 1 39.961 ? 14  ALA   A O    1 ? 2 
ATOM   1865 C CB   . ALA   B 1 2   ? 0.454  21.412  -36.605 1 42.303 ? 14  ALA   A CB   1 ? 2 
ATOM   1866 H H    . ALA   B 1 2   ? -1.801 22.041  -37.339 1 48.219 ? 14  ALA   A H    1 c 2 
ATOM   1867 H HA   . ALA   B 1 2   ? 0.077  20.731  -38.516 1 43.952 ? 14  ALA   A HA   1 c 2 
ATOM   1868 H HB1  . ALA   B 1 2   ? 0.799  22.224  -37.015 1 43.461 ? 14  ALA   A HB1  1 c 2 
ATOM   1869 H HB2  . ALA   B 1 2   ? -0.107 21.652  -35.849 1 42.29  ? 14  ALA   A HB2  1 c 2 
ATOM   1870 H HB3  . ALA   B 1 2   ? 1.198  20.872  -36.293 1 40.483 ? 14  ALA   A HB3  1 c 2 
ATOM   1871 N N    . PRO   B 1 3   ? -1.046 18.696  -36.195 1 38.196 ? 15  PRO   A N    1 ? 2 
ATOM   1872 C CA   . PRO   B 1 3   ? -1.081 17.283  -35.86  1 39.928 ? 15  PRO   A CA   1 ? 2 
ATOM   1873 C C    . PRO   B 1 3   ? -1.617 16.447  -37.007 1 39.984 ? 15  PRO   A C    1 ? 2 
ATOM   1874 O O    . PRO   B 1 3   ? -1.044 15.415  -37.36  1 43.498 ? 15  PRO   A O    1 ? 2 
ATOM   1875 C CB   . PRO   B 1 3   ? -1.926 17.195  -34.606 1 38.378 ? 15  PRO   A CB   1 ? 2 
ATOM   1876 C CG   . PRO   B 1 3   ? -1.755 18.576  -33.976 1 41.609 ? 15  PRO   A CG   1 ? 2 
ATOM   1877 C CD   . PRO   B 1 3   ? -1.725 19.488  -35.16  1 42.701 ? 15  PRO   A CD   1 ? 2 
ATOM   1878 H HA   . PRO   B 1 3   ? -0.159 16.992  -35.648 1 37.408 ? 15  PRO   A HA   1 c 2 
ATOM   1879 H HB2  . PRO   B 1 3   ? -2.871 17.02   -34.826 1 40.522 ? 15  PRO   A HB2  1 c 2 
ATOM   1880 H HB3  . PRO   B 1 3   ? -1.595 16.488  -34.004 1 37.896 ? 15  PRO   A HB3  1 c 2 
ATOM   1881 H HG2  . PRO   B 1 3   ? -2.507 18.791  -33.386 1 41.361 ? 15  PRO   A HG2  1 c 2 
ATOM   1882 H HG3  . PRO   B 1 3   ? -0.92  18.632  -33.467 1 39.429 ? 15  PRO   A HG3  1 c 2 
ATOM   1883 H HD2  . PRO   B 1 3   ? -2.635 19.729  -35.441 1 43.529 ? 15  PRO   A HD2  1 c 2 
ATOM   1884 H HD3  . PRO   B 1 3   ? -1.228 20.306  -34.953 1 41.908 ? 15  PRO   A HD3  1 c 2 
ATOM   1885 N N    . ALA   B 1 4   ? -2.667 16.913  -37.661 1 44.287 ? 16  ALA   A N    1 ? 2 
ATOM   1886 C CA   . ALA   B 1 4   ? -3.277 16.122  -38.723 1 43.3   ? 16  ALA   A CA   1 ? 2 
ATOM   1887 C C    . ALA   B 1 4   ? -2.324 16.007  -39.911 1 46.116 ? 16  ALA   A C    1 ? 2 
ATOM   1888 O O    . ALA   B 1 4   ? -2.314 14.979  -40.573 1 44.176 ? 16  ALA   A O    1 ? 2 
ATOM   1889 C CB   . ALA   B 1 4   ? -4.599 16.757  -39.118 1 51.457 ? 16  ALA   A CB   1 ? 2 
ATOM   1890 H H    . ALA   B 1 4   ? -3.021 17.729  -37.449 1 43.93  ? 16  ALA   A H    1 c 2 
ATOM   1891 H HA   . ALA   B 1 4   ? -3.449 15.205  -38.371 1 44.421 ? 16  ALA   A HA   1 c 2 
ATOM   1892 H HB1  . ALA   B 1 4   ? -5.182 16.809  -38.341 1 49.498 ? 16  ALA   A HB1  1 c 2 
ATOM   1893 H HB2  . ALA   B 1 4   ? -4.443 17.652  -39.462 1 50.725 ? 16  ALA   A HB2  1 c 2 
ATOM   1894 H HB3  . ALA   B 1 4   ? -5.028 16.22   -39.805 1 51.211 ? 16  ALA   A HB3  1 c 2 
ATOM   1895 N N    . THR   B 1 5   ? -1.57  17.072  -40.215 1 41.874 ? 17  THR   A N    1 ? 2 
ATOM   1896 C CA   . THR   B 1 5   ? -0.647 17.057  -41.312 1 45.182 ? 17  THR   A CA   1 ? 2 
ATOM   1897 C C    . THR   B 1 5   ? 0.431  16.018  -41.002 1 41.87  ? 17  THR   A C    1 ? 2 
ATOM   1898 O O    . THR   B 1 5   ? 0.902  15.321  -41.923 1 43.836 ? 17  THR   A O    1 ? 2 
ATOM   1899 C CB   . THR   B 1 5   ? -0.039 18.447  -41.546 1 46.35  ? 17  THR   A CB   1 ? 2 
ATOM   1900 O OG1  . THR   B 1 5   ? -1.069 19.385  -41.824 1 50.861 ? 17  THR   A OG1  1 ? 2 
ATOM   1901 C CG2  . THR   B 1 5   ? 0.961  18.448  -42.69  1 47.132 ? 17  THR   A CG2  1 ? 2 
ATOM   1902 H H    . THR   B 1 5   ? -1.648 17.835  -39.717 1 43.246 ? 17  THR   A H    1 c 2 
ATOM   1903 H HA   . THR   B 1 5   ? -1.129 16.783  -42.122 1 46.497 ? 17  THR   A HA   1 c 2 
ATOM   1904 H HB   . THR   B 1 5   ? 0.434  18.728  -40.726 1 44.824 ? 17  THR   A HB   1 c 2 
ATOM   1905 H HG1  . THR   B 1 5   ? -1.496 19.136  -42.536 0 30     ? 17  THR   A HG1  1 c 2 
ATOM   1906 H HG21 . THR   B 1 5   ? 1.141  19.363  -42.963 1 48.47  ? 17  THR   A HG21 1 c 2 
ATOM   1907 H HG22 . THR   B 1 5   ? 0.594  17.952  -43.442 1 48.795 ? 17  THR   A HG22 1 c 2 
ATOM   1908 H HG23 . THR   B 1 5   ? 1.789  18.029  -42.4   1 45.572 ? 17  THR   A HG23 1 c 2 
ATOM   1909 N N    . VAL   B 1 6   ? 0.867  15.949  -39.748 1 40.671 ? 18  VAL   A N    1 ? 2 
ATOM   1910 C CA   . VAL   B 1 6   ? 1.859  14.926  -39.392 1 38.523 ? 18  VAL   A CA   1 ? 2 
ATOM   1911 C C    . VAL   B 1 6   ? 1.303  13.506  -39.559 1 39.055 ? 18  VAL   A C    1 ? 2 
ATOM   1912 O O    . VAL   B 1 6   ? 1.97   12.672  -40.139 1 39.909 ? 18  VAL   A O    1 ? 2 
ATOM   1913 C CB   . VAL   B 1 6   ? 2.491  15.054  -37.996 1 34.979 ? 18  VAL   A CB   1 ? 2 
ATOM   1914 C CG1  . VAL   B 1 6   ? 3.591  14.018  -37.802 1 34.319 ? 18  VAL   A CG1  1 ? 2 
ATOM   1915 C CG2  . VAL   B 1 6   ? 3.026  16.445  -37.784 1 35.659 ? 18  VAL   A CG2  1 ? 2 
ATOM   1916 H H    . VAL   B 1 6   ? 0.56   16.527  -39.11  1 39.827 ? 18  VAL   A H    1 c 2 
ATOM   1917 H HA   . VAL   B 1 6   ? 2.589  15.016  -40.032 1 38.895 ? 18  VAL   A HA   1 c 2 
ATOM   1918 H HB   . VAL   B 1 6   ? 1.781  14.886  -37.332 1 35.047 ? 18  VAL   A HB   1 c 2 
ATOM   1919 H HG11 . VAL   B 1 6   ? 4.164  14      -38.587 1 34.87  ? 18  VAL   A HG11 1 c 2 
ATOM   1920 H HG12 . VAL   B 1 6   ? 3.193  13.142  -37.673 1 34.096 ? 18  VAL   A HG12 1 c 2 
ATOM   1921 H HG13 . VAL   B 1 6   ? 4.122  14.248  -37.02  1 32.883 ? 18  VAL   A HG13 1 c 2 
ATOM   1922 H HG21 . VAL   B 1 6   ? 3.574  16.464  -36.982 1 34.061 ? 18  VAL   A HG21 1 c 2 
ATOM   1923 H HG22 . VAL   B 1 6   ? 2.287  17.066  -37.682 1 36.207 ? 18  VAL   A HG22 1 c 2 
ATOM   1924 H HG23 . VAL   B 1 6   ? 3.564  16.706  -38.55  1 36.264 ? 18  VAL   A HG23 1 c 2 
ATOM   1925 N N    . THR   B 1 7   ? 0.074  13.251  -39.113 1 43.581 ? 19  THR   A N    1 ? 2 
ATOM   1926 C CA   . THR   B 1 7   ? -0.63  12.008  -39.404 1 49.536 ? 19  THR   A CA   1 ? 2 
ATOM   1927 C C    . THR   B 1 7   ? -0.621 11.712  -40.905 1 50.359 ? 19  THR   A C    1 ? 2 
ATOM   1928 O O    . THR   B 1 7   ? -0.373 10.572  -41.251 1 53.667 ? 19  THR   A O    1 ? 2 
ATOM   1929 C CB   . THR   B 1 7   ? -2.071 12.085  -38.934 1 53.901 ? 19  THR   A CB   1 ? 2 
ATOM   1930 O OG1  . THR   B 1 7   ? -2.043 12.232  -37.537 1 46.222 ? 19  THR   A OG1  1 ? 2 
ATOM   1931 C CG2  . THR   B 1 7   ? -2.854 10.813  -39.206 1 55.633 ? 19  THR   A CG2  1 ? 2 
ATOM   1932 H H    . THR   B 1 7   ? -0.347 13.879  -38.599 1 43.245 ? 19  THR   A H    1 c 2 
ATOM   1933 H HA   . THR   B 1 7   ? -0.18  11.275  -38.929 1 47.714 ? 19  THR   A HA   1 c 2 
ATOM   1934 H HB   . THR   B 1 7   ? -2.53  12.857  -39.341 1 53.229 ? 19  THR   A HB   1 c 2 
ATOM   1935 H HG1  . THR   B 1 7   ? -1.639 11.559  -37.189 0 30     ? 19  THR   A HG1  1 c 2 
ATOM   1936 H HG21 . THR   B 1 7   ? -3.653 10.798  -38.653 1 55.717 ? 19  THR   A HG21 1 c 2 
ATOM   1937 H HG22 . THR   B 1 7   ? -2.302 10.041  -38.997 1 54.759 ? 19  THR   A HG22 1 c 2 
ATOM   1938 H HG23 . THR   B 1 7   ? -3.111 10.782  -40.143 1 57.397 ? 19  THR   A HG23 1 c 2 
ATOM   1939 N N    . GLU   B 1 8   ? -0.723 12.75   -41.774 1 50.979 ? 20  GLU   A N    1 ? 2 
ATOM   1940 C CA   . GLU   B 1 8   ? -0.891 12.596  -43.214 1 54.362 ? 20  GLU   A CA   1 ? 2 
ATOM   1941 C C    . GLU   B 1 8   ? 0.459  12.538  -43.973 1 53.335 ? 20  GLU   A C    1 ? 2 
ATOM   1942 O O    . GLU   B 1 8   ? 0.548  11.909  -45.023 1 54.818 ? 20  GLU   A O    1 ? 2 
ATOM   1943 C CB   . GLU   B 1 8   ? -1.83  13.675  -43.807 1 54.61  ? 20  GLU   A CB   1 ? 2 
ATOM   1944 H H    . GLU   B 1 8   ? -0.701 13.598  -41.436 1 50.621 ? 20  GLU   A H    1 c 2 
ATOM   1945 H HA   . GLU   B 1 8   ? -1.347 11.73   -43.364 1 54.595 ? 20  GLU   A HA   1 c 2 
ATOM   1946 H HB2  . GLU   B 1 8   ? -1.279 14.382  -44.201 0 30     ? 20  GLU   A HB2  1 c 2 
ATOM   1947 H HB3  . GLU   B 1 8   ? -2.761 13.402  -43.662 0 30     ? 20  GLU   A HB3  1 c 2 
ATOM   1948 N N    . GLN   B 1 9   ? 1.483  13.28   -43.541 1 45.114 ? 21  GLN   A N    1 ? 2 
ATOM   1949 C CA   . GLN   B 1 9   ? 2.692  13.468  -44.305 1 49.074 ? 21  GLN   A CA   1 ? 2 
ATOM   1950 C C    . GLN   B 1 9   ? 3.915  13.009  -43.51  1 44.543 ? 21  GLN   A C    1 ? 2 
ATOM   1951 O O    . GLN   B 1 9   ? 5.009  13.018  -44.073 1 49.36  ? 21  GLN   A O    1 ? 2 
ATOM   1952 C CB   . GLN   B 1 9   ? 2.921  14.876  -44.874 1 49.097 ? 21  GLN   A CB   1 ? 2 
ATOM   1953 H H    . GLN   B 1 9   ? 1.404  13.712  -42.739 1 45.746 ? 21  GLN   A H    1 c 2 
ATOM   1954 H HA   . GLN   B 1 9   ? 2.632  12.875  -45.097 1 49.637 ? 21  GLN   A HA   1 c 2 
ATOM   1955 H HB2  . GLN   B 1 9   ? 3.873  15.031  -44.944 0 30     ? 21  GLN   A HB2  1 c 2 
ATOM   1956 H HB3  . GLN   B 1 9   ? 2.036  15.28   -45.046 0 30     ? 21  GLN   A HB3  1 c 2 
ATOM   1957 N N    . GLY   B 1 10  ? 3.775  12.744  -42.203 1 42.796 ? 22  GLY   A N    1 ? 2 
ATOM   1958 C CA   . GLY   B 1 10  ? 4.963  12.537  -41.402 1 40.562 ? 22  GLY   A CA   1 ? 2 
ATOM   1959 C C    . GLY   B 1 10  ? 5.651  11.202  -41.691 1 42.426 ? 22  GLY   A C    1 ? 2 
ATOM   1960 O O    . GLY   B 1 10  ? 4.943  10.238  -41.942 1 42.388 ? 22  GLY   A O    1 ? 2 
ATOM   1961 H H    . GLY   B 1 10  ? 2.951  12.679  -41.815 1 42.377 ? 22  GLY   A H    1 c 2 
ATOM   1962 H HA2  . GLY   B 1 10  ? 5.595  13.274  -41.571 1 40.873 ? 22  GLY   A HA2  1 c 2 
ATOM   1963 H HA3  . GLY   B 1 10  ? 4.713  12.572  -40.449 1 39.362 ? 22  GLY   A HA3  1 c 2 
ATOM   1964 N N    . GLU   B 1 11  ? 6.986  11.191  -41.512 1 36.942 ? 23  GLU   A N    1 ? 2 
ATOM   1965 C CA   . GLU   B 1 11  ? 7.818  10.012  -41.693 1 37.586 ? 23  GLU   A CA   1 ? 2 
ATOM   1966 C C    . GLU   B 1 11  ? 7.812  9.252   -40.377 1 35.375 ? 23  GLU   A C    1 ? 2 
ATOM   1967 O O    . GLU   B 1 11  ? 7.871  9.851   -39.29  1 30.798 ? 23  GLU   A O    1 ? 2 
ATOM   1968 C CB   . GLU   B 1 11  ? 9.204  10.358  -42.294 1 40.479 ? 23  GLU   A CB   1 ? 2 
ATOM   1969 H H    . GLU   B 1 11  ? 7.394  11.968  -41.255 1 37.325 ? 23  GLU   A H    1 c 2 
ATOM   1970 H HA   . GLU   B 1 11  ? 7.37   9.44    -42.367 1 39.491 ? 23  GLU   A HA   1 c 2 
ATOM   1971 H HB2  . GLU   B 1 11  ? 9.9    10.019  -41.702 0 30     ? 23  GLU   A HB2  1 c 2 
ATOM   1972 H HB3  . GLU   B 1 11  ? 9.063  10.85   -43.136 0 30     ? 23  GLU   A HB3  1 c 2 
ATOM   1973 N N    . ASP   B 1 12  ? 7.632  7.933   -40.49  1 35.335 ? 24  ASP   A N    1 ? 2 
ATOM   1974 C CA   . ASP   B 1 12  ? 7.707  7.068   -39.337 1 35.257 ? 24  ASP   A CA   1 ? 2 
ATOM   1975 C C    . ASP   B 1 12  ? 9.177  6.783   -38.988 1 34.75  ? 24  ASP   A C    1 ? 2 
ATOM   1976 O O    . ASP   B 1 12  ? 9.911  6.109   -39.733 1 36.856 ? 24  ASP   A O    1 ? 2 
ATOM   1977 C CB   . ASP   B 1 12  ? 6.964  5.771   -39.638 1 36.612 ? 24  ASP   A CB   1 ? 2 
ATOM   1978 C CG   . ASP   B 1 12  ? 6.918  4.781   -38.474 1 35.772 ? 24  ASP   A CG   1 ? 2 
ATOM   1979 O OD1  . ASP   B 1 12  ? 7.57   5.05    -37.448 1 36.309 ? 24  ASP   A OD1  1 ? 2 
ATOM   1980 O OD2  . ASP   B 1 12  ? 6.287  3.69    -38.648 1 36.839 ? 24  ASP   A OD2  1 ? 2 
ATOM   1981 H H    . ASP   B 1 12  ? 7.46   7.565   -41.309 1 37.529 ? 24  ASP   A H    1 c 2 
ATOM   1982 H HA   . ASP   B 1 12  ? 7.273  7.513   -38.577 1 33.569 ? 24  ASP   A HA   1 c 2 
ATOM   1983 H HB2  . ASP   B 1 12  ? 6.042  5.987   -39.893 1 37.059 ? 24  ASP   A HB2  1 c 2 
ATOM   1984 H HB3  . ASP   B 1 12  ? 7.393  5.33    -40.4   1 38.234 ? 24  ASP   A HB3  1 c 2 
ATOM   1985 N N    . ILE   B 1 13  ? 9.634  7.364   -37.901 1 32.897 ? 25  ILE   A N    1 ? 2 
ATOM   1986 C CA   . ILE   B 1 13  ? 11.034 7.216   -37.524 1 34.764 ? 25  ILE   A CA   1 ? 2 
ATOM   1987 C C    . ILE   B 1 13  ? 11.24  6.17    -36.422 1 35.487 ? 25  ILE   A C    1 ? 2 
ATOM   1988 O O    . ILE   B 1 13  ? 12.348 6.127   -35.853 1 39.498 ? 25  ILE   A O    1 ? 2 
ATOM   1989 C CB   . ILE   B 1 13  ? 11.605 8.58    -37.115 1 31.835 ? 25  ILE   A CB   1 ? 2 
ATOM   1990 C CG1  . ILE   B 1 13  ? 10.946 9.147   -35.877 1 30.465 ? 25  ILE   A CG1  1 ? 2 
ATOM   1991 C CG2  . ILE   B 1 13  ? 11.617 9.54    -38.297 1 33.388 ? 25  ILE   A CG2  1 ? 2 
ATOM   1992 C CD1  . ILE   B 1 13  ? 11.598 10.404  -35.313 1 32.086 ? 25  ILE   A CD1  1 ? 2 
ATOM   1993 H H    . ILE   B 1 13  ? 9.075  7.855   -37.372 1 32.252 ? 25  ILE   A H    1 c 2 
ATOM   1994 H HA   . ILE   B 1 13  ? 11.528 6.918   -38.311 1 35.573 ? 25  ILE   A HA   1 c 2 
ATOM   1995 H HB   . ILE   B 1 13  ? 12.541 8.426   -36.878 1 32.515 ? 25  ILE   A HB   1 c 2 
ATOM   1996 H HG12 . ILE   B 1 13  ? 10.013 9.352   -36.088 1 30.844 ? 25  ILE   A HG12 1 c 2 
ATOM   1997 H HG13 . ILE   B 1 13  ? 10.946 8.46    -35.18  1 30.731 ? 25  ILE   A HG13 1 c 2 
ATOM   1998 H HG21 . ILE   B 1 13  ? 12.144 10.326  -38.074 1 32.684 ? 25  ILE   A HG21 1 c 2 
ATOM   1999 H HG22 . ILE   B 1 13  ? 10.707 9.811   -38.507 1 33.135 ? 25  ILE   A HG22 1 c 2 
ATOM   2000 H HG23 . ILE   B 1 13  ? 12.008 9.099   -39.07  1 34.589 ? 25  ILE   A HG23 1 c 2 
ATOM   2001 H HD11 . ILE   B 1 13  ? 12.556 10.254  -35.203 1 31.552 ? 25  ILE   A HD11 1 c 2 
ATOM   2002 H HD12 . ILE   B 1 13  ? 11.203 10.616  -34.446 1 30.372 ? 25  ILE   A HD12 1 c 2 
ATOM   2003 H HD13 . ILE   B 1 13  ? 11.454 11.151  -35.925 1 31.517 ? 25  ILE   A HD13 1 c 2 
ATOM   2004 N N    . THR   B 1 14  ? 10.24  5.307   -36.148 1 36.731 ? 26  THR   A N    1 ? 2 
ATOM   2005 C CA   . THR   B 1 14  ? 10.412 4.154   -35.253 1 35.108 ? 26  THR   A CA   1 ? 2 
ATOM   2006 C C    . THR   B 1 14  ? 11.176 3.017   -35.954 1 37.637 ? 26  THR   A C    1 ? 2 
ATOM   2007 O O    . THR   B 1 14  ? 11.116 2.849   -37.185 1 39.754 ? 26  THR   A O    1 ? 2 
ATOM   2008 C CB   . THR   B 1 14  ? 9.09   3.668   -34.62  1 32.853 ? 26  THR   A CB   1 ? 2 
ATOM   2009 O OG1  . THR   B 1 14  ? 8.379  3.1     -35.725 1 35.167 ? 26  THR   A OG1  1 ? 2 
ATOM   2010 C CG2  . THR   B 1 14  ? 8.389  4.77    -33.857 1 30.154 ? 26  THR   A CG2  1 ? 2 
ATOM   2011 H H    . THR   B 1 14  ? 9.419  5.443   -36.526 1 36.104 ? 26  THR   A H    1 c 2 
ATOM   2012 H HA   . THR   B 1 14  ? 10.976 4.462   -34.513 1 34.424 ? 26  THR   A HA   1 c 2 
ATOM   2013 H HB   . THR   B 1 14  ? 9.297  2.949   -33.977 1 33.835 ? 26  THR   A HB   1 c 2 
ATOM   2014 H HG1  . THR   B 1 14  ? 8.253  3.709   -36.329 0 30     ? 26  THR   A HG1  1 c 2 
ATOM   2015 H HG21 . THR   B 1 14  ? 7.556  4.434   -33.49  1 30.557 ? 26  THR   A HG21 1 c 2 
ATOM   2016 H HG22 . THR   B 1 14  ? 8.202  5.511   -34.458 1 30.006 ? 26  THR   A HG22 1 c 2 
ATOM   2017 H HG23 . THR   B 1 14  ? 8.96   5.078   -33.134 1 29.566 ? 26  THR   A HG23 1 c 2 
ATOM   2018 N N    . SER   B 1 15  ? 11.976 2.273   -35.173 1 41.723 ? 27  SER   A N    1 ? 2 
ATOM   2019 C CA   . SER   B 1 15  ? 12.69  1.099   -35.696 1 46.181 ? 27  SER   A CA   1 ? 2 
ATOM   2020 C C    . SER   B 1 15  ? 11.682 0.001   -35.988 1 47.939 ? 27  SER   A C    1 ? 2 
ATOM   2021 O O    . SER   B 1 15  ? 11.82  -0.702  -36.995 1 50.634 ? 27  SER   A O    1 ? 2 
ATOM   2022 C CB   . SER   B 1 15  ? 13.837 0.637   -34.8   1 45.909 ? 27  SER   A CB   1 ? 2 
ATOM   2023 O OG   . SER   B 1 15  ? 14.739 1.744   -34.584 1 49.353 ? 27  SER   A OG   1 ? 2 
ATOM   2024 H H    . SER   B 1 15  ? 12.083 2.498   -34.293 1 40.185 ? 27  SER   A H    1 c 2 
ATOM   2025 H HA   . SER   B 1 15  ? 13.089 1.365   -36.563 1 46.168 ? 27  SER   A HA   1 c 2 
ATOM   2026 H HB2  . SER   B 1 15  ? 13.482 0.327   -33.945 1 46.985 ? 27  SER   A HB2  1 c 2 
ATOM   2027 H HB3  . SER   B 1 15  ? 14.313 -0.099  -35.229 1 49.256 ? 27  SER   A HB3  1 c 2 
ATOM   2028 H HG   . SER   B 1 15  ? 15.364 1.473   -34.083 0 30     ? 27  SER   A HG   1 c 2 
ATOM   2029 N N    . LYS   B 1 16  ? 10.642 -0.091  -35.158 1 43.253 ? 28  LYS   A N    1 ? 2 
ATOM   2030 C CA   . LYS   B 1 16  ? 9.559  -1.05   -35.345 1 52.388 ? 28  LYS   A CA   1 ? 2 
ATOM   2031 C C    . LYS   B 1 16  ? 8.635  -0.727  -36.511 1 48.639 ? 28  LYS   A C    1 ? 2 
ATOM   2032 O O    . LYS   B 1 16  ? 7.875  -1.58   -36.907 1 52.009 ? 28  LYS   A O    1 ? 2 
ATOM   2033 C CB   . LYS   B 1 16  ? 8.607  -1.169  -34.149 1 53.496 ? 28  LYS   A CB   1 ? 2 
ATOM   2034 C CG   . LYS   B 1 16  ? 9.151  -1.807  -32.893 1 60.316 ? 28  LYS   A CG   1 ? 2 
ATOM   2035 C CD   . LYS   B 1 16  ? 7.975  -2.312  -32.055 1 69.577 ? 28  LYS   A CD   1 ? 2 
ATOM   2036 C CE   . LYS   B 1 16  ? 8.152  -2.047  -30.586 1 69.171 ? 28  LYS   A CE   1 ? 2 
ATOM   2037 N NZ   . LYS   B 1 16  ? 9.33   -2.779  -30.112 1 73.441 ? 28  LYS   A NZ   1 ? 2 
ATOM   2038 H H    . LYS   B 1 16  ? 10.607 0.463   -34.432 1 44.062 ? 28  LYS   A H    1 c 2 
ATOM   2039 H HA   . LYS   B 1 16  ? 9.964  -1.94   -35.507 1 52.387 ? 28  LYS   A HA   1 c 2 
ATOM   2040 H HB2  . LYS   B 1 16  ? 8.293  -0.268  -33.92  1 52.428 ? 28  LYS   A HB2  1 c 2 
ATOM   2041 H HB3  . LYS   B 1 16  ? 7.823  -1.686  -34.434 1 55.659 ? 28  LYS   A HB3  1 c 2 
ATOM   2042 H HG2  . LYS   B 1 16  ? 9.737  -2.556  -33.133 1 62.424 ? 28  LYS   A HG2  1 c 2 
ATOM   2043 H HG3  . LYS   B 1 16  ? 9.665  -1.144  -32.384 1 59.146 ? 28  LYS   A HG3  1 c 2 
ATOM   2044 H HD2  . LYS   B 1 16  ? 7.149  -1.876  -32.357 1 66.577 ? 28  LYS   A HD2  1 c 2 
ATOM   2045 H HD3  . LYS   B 1 16  ? 7.874  -3.279  -32.196 1 69.797 ? 28  LYS   A HD3  1 c 2 
ATOM   2046 H HE2  . LYS   B 1 16  ? 8.278  -1.094  -30.43  1 67.539 ? 28  LYS   A HE2  1 c 2 
ATOM   2047 H HE3  . LYS   B 1 16  ? 7.366  -2.344  -30.094 1 70.106 ? 28  LYS   A HE3  1 c 2 
ATOM   2048 H HZ1  . LYS   B 1 16  ? 10.086 -2.352  -30.371 1 71.763 ? 28  LYS   A HZ1  1 c 2 
ATOM   2049 H HZ2  . LYS   B 1 16  ? 9.333  -3.621  -30.447 1 74.571 ? 28  LYS   A HZ2  1 c 2 
ATOM   2050 H HZ3  . LYS   B 1 16  ? 9.313  -2.823  -29.207 1 72.607 ? 28  LYS   A HZ3  1 c 2 
ATOM   2051 N N    . LYS   B 1 17  ? 8.693  0.478   -37.065 1 46.737 ? 29  LYS   A N    1 ? 2 
ATOM   2052 C CA   . LYS   B 1 17  ? 7.747  0.884   -38.087 1 46.705 ? 29  LYS   A CA   1 ? 2 
ATOM   2053 C C    . LYS   B 1 17  ? 6.288  0.715   -37.624 1 48.406 ? 29  LYS   A C    1 ? 2 
ATOM   2054 O O    . LYS   B 1 17  ? 5.46   0.202   -38.378 1 44.974 ? 29  LYS   A O    1 ? 2 
ATOM   2055 C CB   . LYS   B 1 17  ? 8.194  0.231   -39.403 1 51.435 ? 29  LYS   A CB   1 ? 2 
ATOM   2056 C CG   . LYS   B 1 17  ? 9.413  0.894   -40.006 1 51.579 ? 29  LYS   A CG   1 ? 2 
ATOM   2057 C CD   . LYS   B 1 17  ? 9.241  2.414   -40.102 1 52.302 ? 29  LYS   A CD   1 ? 2 
ATOM   2058 C CE   . LYS   B 1 17  ? 9.736  3.168   -41.295 1 57.397 ? 29  LYS   A CE   1 ? 2 
ATOM   2059 N NZ   . LYS   B 1 17  ? 10.847 2.553   -42.007 1 58.678 ? 29  LYS   A NZ   1 ? 2 
ATOM   2060 H H    . LYS   B 1 17  ? 9.333  1.073   -36.798 1 45.376 ? 29  LYS   A H    1 c 2 
ATOM   2061 H HA   . LYS   B 1 17  ? 7.875  1.852   -38.21  1 46.069 ? 29  LYS   A HA   1 c 2 
ATOM   2062 H HB2  . LYS   B 1 17  ? 8.396  -0.716  -39.248 1 52.648 ? 29  LYS   A HB2  1 c 2 
ATOM   2063 H HB3  . LYS   B 1 17  ? 7.459  0.28    -40.051 1 52.003 ? 29  LYS   A HB3  1 c 2 
ATOM   2064 H HG2  . LYS   B 1 17  ? 10.196 0.688   -39.449 1 51.801 ? 29  LYS   A HG2  1 c 2 
ATOM   2065 H HG3  . LYS   B 1 17  ? 9.565  0.524   -40.902 1 54.308 ? 29  LYS   A HG3  1 c 2 
ATOM   2066 H HD2  . LYS   B 1 17  ? 8.283  2.602   -40.017 1 51.867 ? 29  LYS   A HD2  1 c 2 
ATOM   2067 H HD3  . LYS   B 1 17  ? 9.663  2.803   -39.306 1 50.629 ? 29  LYS   A HD3  1 c 2 
ATOM   2068 H HE2  . LYS   B 1 17  ? 8.997  3.281   -41.919 1 57.019 ? 29  LYS   A HE2  1 c 2 
ATOM   2069 H HE3  . LYS   B 1 17  ? 10.013 4.055   -41.009 1 54.376 ? 29  LYS   A HE3  1 c 2 
ATOM   2070 H HZ1  . LYS   B 1 17  ? 10.545 1.868   -42.516 1 60.873 ? 29  LYS   A HZ1  1 c 2 
ATOM   2071 H HZ2  . LYS   B 1 17  ? 11.458 2.24    -41.415 1 58.514 ? 29  LYS   A HZ2  1 c 2 
ATOM   2072 H HZ3  . LYS   B 1 17  ? 11.242 3.168   -42.542 1 59.147 ? 29  LYS   A HZ3  1 c 2 
ATOM   2073 N N    . ASP   B 1 18  ? 5.99   1.198   -36.4   1 42.078 ? 30  ASP   A N    1 ? 2 
ATOM   2074 C CA   . ASP   B 1 18  ? 4.664  1.157   -35.807 1 40.646 ? 30  ASP   A CA   1 ? 2 
ATOM   2075 C C    . ASP   B 1 18  ? 3.96   2.512   -35.761 1 36.067 ? 30  ASP   A C    1 ? 2 
ATOM   2076 O O    . ASP   B 1 18  ? 2.939  2.645   -35.082 1 36.086 ? 30  ASP   A O    1 ? 2 
ATOM   2077 C CB   . ASP   B 1 18  ? 4.719  0.561   -34.413 1 40.1   ? 30  ASP   A CB   1 ? 2 
ATOM   2078 C CG   . ASP   B 1 18  ? 5.591  1.335   -33.443 1 40.116 ? 30  ASP   A CG   1 ? 2 
ATOM   2079 O OD1  . ASP   B 1 18  ? 5.965  2.493   -33.749 1 35.504 ? 30  ASP   A OD1  1 ? 2 
ATOM   2080 O OD2  . ASP   B 1 18  ? 5.889  0.793   -32.421 1 43.952 ? 30  ASP   A OD2  1 ? 2 
ATOM   2081 H H    . ASP   B 1 18  ? 6.662  1.585   -35.917 1 41.466 ? 30  ASP   A H    1 c 2 
ATOM   2082 H HA   . ASP   B 1 18  ? 4.11   0.548   -36.345 1 42.125 ? 30  ASP   A HA   1 c 2 
ATOM   2083 H HB2  . ASP   B 1 18  ? 3.813  0.507   -34.044 1 40.865 ? 30  ASP   A HB2  1 c 2 
ATOM   2084 H HB3  . ASP   B 1 18  ? 5.072  -0.351  -34.477 1 42.268 ? 30  ASP   A HB3  1 c 2 
ATOM   2085 N N    . ARG   B 1 19  ? 4.455  3.484   -36.536 1 36.677 ? 31  ARG   A N    1 ? 2 
ATOM   2086 C CA   . ARG   B 1 19  ? 3.915  4.837   -36.608 1 35.034 ? 31  ARG   A CA   1 ? 2 
ATOM   2087 C C    . ARG   B 1 19  ? 3.818  5.482   -35.223 1 34.868 ? 31  ARG   A C    1 ? 2 
ATOM   2088 O O    . ARG   B 1 19  ? 3.18   6.526   -35.083 1 35.674 ? 31  ARG   A O    1 ? 2 
ATOM   2089 C CB   . ARG   B 1 19  ? 2.561  4.923   -37.337 1 35.608 ? 31  ARG   A CB   1 ? 2 
ATOM   2090 C CG   . ARG   B 1 19  ? 2.695  4.502   -38.783 1 40.815 ? 31  ARG   A CG   1 ? 2 
ATOM   2091 C CD   . ARG   B 1 19  ? 1.415  4.584   -39.684 1 40.89  ? 31  ARG   A CD   1 ? 2 
ATOM   2092 N NE   . ARG   B 1 19  ? 0.748  5.882   -39.591 1 39.539 ? 31  ARG   A NE   1 ? 2 
ATOM   2093 C CZ   . ARG   B 1 19  ? 0.879  7.036   -40.184 1 42.407 ? 31  ARG   A CZ   1 ? 2 
ATOM   2094 N NH1  . ARG   B 1 19  ? 1.802  7.31    -41.098 1 43.689 ? 31  ARG   A NH1  1 ? 2 
ATOM   2095 N NH2  . ARG   B 1 19  ? 0.03   8.007   -39.825 1 45.288 ? 31  ARG   A NH2  1 ? 2 
ATOM   2096 H H    . ARG   B 1 19  ? 5.175  3.287   -37.062 1 36.936 ? 31  ARG   A H    1 c 2 
ATOM   2097 H HA   . ARG   B 1 19  ? 4.552  5.379   -37.138 1 34.992 ? 31  ARG   A HA   1 c 2 
ATOM   2098 H HB2  . ARG   B 1 19  ? 1.913  4.34    -36.892 1 37.219 ? 31  ARG   A HB2  1 c 2 
ATOM   2099 H HB3  . ARG   B 1 19  ? 2.223  5.843   -37.299 1 35.74  ? 31  ARG   A HB3  1 c 2 
ATOM   2100 H HG2  . ARG   B 1 19  ? 3.396  5.05    -39.198 1 39.222 ? 31  ARG   A HG2  1 c 2 
ATOM   2101 H HG3  . ARG   B 1 19  ? 3.023  3.576   -38.803 1 40.601 ? 31  ARG   A HG3  1 c 2 
ATOM   2102 H HD2  . ARG   B 1 19  ? 1.669  4.42    -40.615 1 42.748 ? 31  ARG   A HD2  1 c 2 
ATOM   2103 H HD3  . ARG   B 1 19  ? 0.789  3.881   -39.415 1 42.121 ? 31  ARG   A HD3  1 c 2 
ATOM   2104 H HE   . ARG   B 1 19  ? 0.11   5.891   -38.998 1 40.021 ? 31  ARG   A HE   1 c 2 
ATOM   2105 H HH11 . ARG   B 1 19  ? 2.407  6.7     -41.307 1 43.886 ? 31  ARG   A HH11 1 c 2 
ATOM   2106 H HH12 . ARG   B 1 19  ? 1.812  8.1     -41.496 1 43.685 ? 31  ARG   A HH12 1 c 2 
ATOM   2107 H HH21 . ARG   B 1 19  ? -0.538 7.883   -39.159 1 43.662 ? 31  ARG   A HH21 1 c 2 
ATOM   2108 H HH22 . ARG   B 1 19  ? 0.037  8.778   -40.258 1 44.402 ? 31  ARG   A HH22 1 c 2 
ATOM   2109 N N    . GLY   B 1 20  ? 4.648  5.019   -34.289 1 32.597 ? 32  GLY   A N    1 ? 2 
ATOM   2110 C CA   . GLY   B 1 20  ? 4.617  5.486   -32.911 1 31.04  ? 32  GLY   A CA   1 ? 2 
ATOM   2111 C C    . GLY   B 1 20  ? 5.154  6.902   -32.761 1 29.637 ? 32  GLY   A C    1 ? 2 
ATOM   2112 O O    . GLY   B 1 20  ? 4.792  7.62    -31.828 1 30.162 ? 32  GLY   A O    1 ? 2 
ATOM   2113 H H    . GLY   B 1 20  ? 5.281  4.403   -34.521 1 33.606 ? 32  GLY   A H    1 c 2 
ATOM   2114 H HA2  . GLY   B 1 20  ? 3.688  5.453   -32.583 1 31.4   ? 32  GLY   A HA2  1 c 2 
ATOM   2115 H HA3  . GLY   B 1 20  ? 5.153  4.875   -32.357 1 31.31  ? 32  GLY   A HA3  1 c 2 
ATOM   2116 N N    . VAL   B 1 21  ? 6.078  7.288   -33.66  1 29.441 ? 33  VAL   A N    1 ? 2 
ATOM   2117 C CA   . VAL   B 1 21  ? 6.695  8.578   -33.665 1 28.035 ? 33  VAL   A CA   1 ? 2 
ATOM   2118 C C    . VAL   B 1 21  ? 6.757  9.003   -35.142 1 29.124 ? 33  VAL   A C    1 ? 2 
ATOM   2119 O O    . VAL   B 1 21  ? 7.479  8.403   -35.954 1 28.781 ? 33  VAL   A O    1 ? 2 
ATOM   2120 C CB   . VAL   B 1 21  ? 8.094  8.625   -32.992 1 29.639 ? 33  VAL   A CB   1 ? 2 
ATOM   2121 C CG1  . VAL   B 1 21  ? 8.704  10.024  -32.992 1 29.593 ? 33  VAL   A CG1  1 ? 2 
ATOM   2122 C CG2  . VAL   B 1 21  ? 8.114  8.004   -31.621 1 28.067 ? 33  VAL   A CG2  1 ? 2 
ATOM   2123 H H    . VAL   B 1 21  ? 6.327  6.692   -34.306 1 30.318 ? 33  VAL   A H    1 c 2 
ATOM   2124 H HA   . VAL   B 1 21  ? 6.109  9.199   -33.191 1 27.99  ? 33  VAL   A HA   1 c 2 
ATOM   2125 H HB   . VAL   B 1 21  ? 8.687  8.07    -33.551 1 29.788 ? 33  VAL   A HB   1 c 2 
ATOM   2126 H HG11 . VAL   B 1 21  ? 8.069  10.655  -32.613 1 28.92  ? 33  VAL   A HG11 1 c 2 
ATOM   2127 H HG12 . VAL   B 1 21  ? 8.916  10.287  -33.904 1 29.837 ? 33  VAL   A HG12 1 c 2 
ATOM   2128 H HG13 . VAL   B 1 21  ? 9.517  10.024  -32.46  1 29.096 ? 33  VAL   A HG13 1 c 2 
ATOM   2129 H HG21 . VAL   B 1 21  ? 8.999  8.104   -31.231 1 28.258 ? 33  VAL   A HG21 1 c 2 
ATOM   2130 H HG22 . VAL   B 1 21  ? 7.897  7.059   -31.688 1 29.233 ? 33  VAL   A HG22 1 c 2 
ATOM   2131 H HG23 . VAL   B 1 21  ? 7.46   8.447   -31.054 1 27.977 ? 33  VAL   A HG23 1 c 2 
ATOM   2132 N N    . LEU   B 1 22  ? 5.93   9.988   -35.505 1 30.074 ? 34  LEU   A N    1 ? 2 
ATOM   2133 C CA   . LEU   B 1 22  ? 5.891  10.597  -36.792 1 29.821 ? 34  LEU   A CA   1 ? 2 
ATOM   2134 C C    . LEU   B 1 22  ? 6.518  11.973  -36.834 1 29.666 ? 34  LEU   A C    1 ? 2 
ATOM   2135 O O    . LEU   B 1 22  ? 6.25   12.788  -35.941 1 26.459 ? 34  LEU   A O    1 ? 2 
ATOM   2136 C CB   . LEU   B 1 22  ? 4.429  10.666  -37.247 1 30.692 ? 34  LEU   A CB   1 ? 2 
ATOM   2137 C CG   . LEU   B 1 22  ? 3.705  9.319   -37.318 1 33.655 ? 34  LEU   A CG   1 ? 2 
ATOM   2138 C CD1  . LEU   B 1 22  ? 2.235  9.72    -37.534 1 33.435 ? 34  LEU   A CD1  1 ? 2 
ATOM   2139 C CD2  . LEU   B 1 22  ? 4.302  8.417   -38.446 1 35.447 ? 34  LEU   A CD2  1 ? 2 
ATOM   2140 H H    . LEU   B 1 22  ? 5.34   10.295  -34.878 1 29.02  ? 34  LEU   A H    1 c 2 
ATOM   2141 H HA   . LEU   B 1 22  ? 6.387  10.015  -37.416 1 30.884 ? 34  LEU   A HA   1 c 2 
ATOM   2142 H HB2  . LEU   B 1 22  ? 3.942  11.25   -36.621 1 30.554 ? 34  LEU   A HB2  1 c 2 
ATOM   2143 H HB3  . LEU   B 1 22  ? 4.402  11.083  -38.139 1 32.231 ? 34  LEU   A HB3  1 c 2 
ATOM   2144 H HG   . LEU   B 1 22  ? 3.792  8.857   -36.444 1 32.236 ? 34  LEU   A HG   1 c 2 
ATOM   2145 H HD11 . LEU   B 1 22  ? 1.907  10.191  -36.749 1 32.874 ? 34  LEU   A HD11 1 c 2 
ATOM   2146 H HD12 . LEU   B 1 22  ? 1.699  8.922   -37.678 1 34.737 ? 34  LEU   A HD12 1 c 2 
ATOM   2147 H HD13 . LEU   B 1 22  ? 2.166  10.3    -38.311 1 34.647 ? 34  LEU   A HD13 1 c 2 
ATOM   2148 H HD21 . LEU   B 1 22  ? 5.195  8.131   -38.194 1 34.831 ? 34  LEU   A HD21 1 c 2 
ATOM   2149 H HD22 . LEU   B 1 22  ? 4.346  8.921   -39.276 1 36.289 ? 34  LEU   A HD22 1 c 2 
ATOM   2150 H HD23 . LEU   B 1 22  ? 3.737  7.636   -38.572 1 36.395 ? 34  LEU   A HD23 1 c 2 
ATOM   2151 N N    . LYS   B 1 23  ? 7.289  12.246  -37.88  1 29.073 ? 35  LYS   A N    1 ? 2 
ATOM   2152 C CA   . LYS   B 1 23  ? 8.034  13.501  -37.996 1 31.077 ? 35  LYS   A CA   1 ? 2 
ATOM   2153 C C    . LYS   B 1 23  ? 7.841  14.218  -39.341 1 34.553 ? 35  LYS   A C    1 ? 2 
ATOM   2154 O O    . LYS   B 1 23  ? 8.004  13.613  -40.42  1 33.755 ? 35  LYS   A O    1 ? 2 
ATOM   2155 C CB   . LYS   B 1 23  ? 9.517  13.193  -37.718 1 34.42  ? 35  LYS   A CB   1 ? 2 
ATOM   2156 C CG   . LYS   B 1 23  ? 10.51  14.372  -37.941 1 35.854 ? 35  LYS   A CG   1 ? 2 
ATOM   2157 C CD   . LYS   B 1 23  ? 11.992 14.06   -37.738 1 31.963 ? 35  LYS   A CD   1 ? 2 
ATOM   2158 C CE   . LYS   B 1 23  ? 12.934 15.251  -37.681 1 36.237 ? 35  LYS   A CE   1 ? 2 
ATOM   2159 N NZ   . LYS   B 1 23  ? 14.292 14.946  -38.194 1 33.404 ? 35  LYS   A NZ   1 ? 2 
ATOM   2160 H H    . LYS   B 1 23  ? 7.357  11.634  -38.556 1 30.885 ? 35  LYS   A H    1 c 2 
ATOM   2161 H HA   . LYS   B 1 23  ? 7.722  14.106  -37.282 1 30.769 ? 35  LYS   A HA   1 c 2 
ATOM   2162 H HB2  . LYS   B 1 23  ? 9.601  12.893  -36.788 1 32.61  ? 35  LYS   A HB2  1 c 2 
ATOM   2163 H HB3  . LYS   B 1 23  ? 9.791  12.448  -38.294 1 34.486 ? 35  LYS   A HB3  1 c 2 
ATOM   2164 H HG2  . LYS   B 1 23  ? 10.388 14.706  -38.856 1 35.945 ? 35  LYS   A HG2  1 c 2 
ATOM   2165 H HG3  . LYS   B 1 23  ? 10.259 15.1    -37.331 1 34.064 ? 35  LYS   A HG3  1 c 2 
ATOM   2166 H HD2  . LYS   B 1 23  ? 12.085 13.551  -36.903 1 32.659 ? 35  LYS   A HD2  1 c 2 
ATOM   2167 H HD3  . LYS   B 1 23  ? 12.282 13.469  -38.466 1 34.611 ? 35  LYS   A HD3  1 c 2 
ATOM   2168 H HE2  . LYS   B 1 23  ? 12.558 15.98   -38.205 1 35.107 ? 35  LYS   A HE2  1 c 2 
ATOM   2169 H HE3  . LYS   B 1 23  ? 13.01  15.554  -36.758 1 33.391 ? 35  LYS   A HE3  1 c 2 
ATOM   2170 H HZ1  . LYS   B 1 23  ? 14.242 14.703  -39.066 1 35.64  ? 35  LYS   A HZ1  1 c 2 
ATOM   2171 H HZ2  . LYS   B 1 23  ? 14.654 14.269  -37.716 1 34.026 ? 35  LYS   A HZ2  1 c 2 
ATOM   2172 H HZ3  . LYS   B 1 23  ? 14.819 15.679  -38.119 1 34.889 ? 35  LYS   A HZ3  1 c 2 
ATOM   2173 N N    . ILE   B 1 24  ? 7.718  15.561  -39.258 1 33.898 ? 36  ILE   A N    1 ? 2 
ATOM   2174 C CA   . ILE   B 1 24  ? 7.971  16.457  -40.383 1 34.189 ? 36  ILE   A CA   1 ? 2 
ATOM   2175 C C    . ILE   B 1 24  ? 9.043  17.47   -40.002 1 34.864 ? 36  ILE   A C    1 ? 2 
ATOM   2176 O O    . ILE   B 1 24  ? 8.919  18.196  -39.015 1 34.895 ? 36  ILE   A O    1 ? 2 
ATOM   2177 C CB   . ILE   B 1 24  ? 6.682  17.168  -40.848 1 36.563 ? 36  ILE   A CB   1 ? 2 
ATOM   2178 C CG1  . ILE   B 1 24  ? 5.559  16.17   -41.139 1 38.386 ? 36  ILE   A CG1  1 ? 2 
ATOM   2179 C CG2  . ILE   B 1 24  ? 6.904  18.199  -41.974 1 40.01  ? 36  ILE   A CG2  1 ? 2 
ATOM   2180 C CD1  . ILE   B 1 24  ? 4.252  16.829  -41.527 1 43.208 ? 36  ILE   A CD1  1 ? 2 
ATOM   2181 H H    . ILE   B 1 24  ? 7.461  15.93   -38.462 1 32.747 ? 36  ILE   A H    1 c 2 
ATOM   2182 H HA   . ILE   B 1 24  ? 8.305  15.923  -41.129 1 35.814 ? 36  ILE   A HA   1 c 2 
ATOM   2183 H HB   . ILE   B 1 24  ? 6.377  17.685  -40.075 1 35.957 ? 36  ILE   A HB   1 c 2 
ATOM   2184 H HG12 . ILE   B 1 24  ? 5.844  15.579  -41.865 1 39.674 ? 36  ILE   A HG12 1 c 2 
ATOM   2185 H HG13 . ILE   B 1 24  ? 5.41   15.619  -40.344 1 37.193 ? 36  ILE   A HG13 1 c 2 
ATOM   2186 H HG21 . ILE   B 1 24  ? 6.073  18.667  -42.159 1 40.862 ? 36  ILE   A HG21 1 c 2 
ATOM   2187 H HG22 . ILE   B 1 24  ? 7.202  17.742  -42.779 1 40.91  ? 36  ILE   A HG22 1 c 2 
ATOM   2188 H HG23 . ILE   B 1 24  ? 7.578  18.842  -41.701 1 39.574 ? 36  ILE   A HG23 1 c 2 
ATOM   2189 H HD11 . ILE   B 1 24  ? 4.017  17.505  -40.864 1 41.619 ? 36  ILE   A HD11 1 c 2 
ATOM   2190 H HD12 . ILE   B 1 24  ? 3.548  16.156  -41.567 1 42.403 ? 36  ILE   A HD12 1 c 2 
ATOM   2191 H HD13 . ILE   B 1 24  ? 4.342  17.251  -42.402 1 44.071 ? 36  ILE   A HD13 1 c 2 
ATOM   2192 N N    . VAL   B 1 25  ? 9.965  17.66   -40.95  1 36.236 ? 37  VAL   A N    1 ? 2 
ATOM   2193 C CA   . VAL   B 1 25  ? 10.942 18.723  -40.887 1 37.477 ? 37  VAL   A CA   1 ? 2 
ATOM   2194 C C    . VAL   B 1 25  ? 10.21  19.971  -41.416 1 41.797 ? 37  VAL   A C    1 ? 2 
ATOM   2195 O O    . VAL   B 1 25  ? 9.801  20.015  -42.594 1 44.253 ? 37  VAL   A O    1 ? 2 
ATOM   2196 C CB   . VAL   B 1 25  ? 12.198 18.361  -41.737 1 40.476 ? 37  VAL   A CB   1 ? 2 
ATOM   2197 C CG1  . VAL   B 1 25  ? 13.196 19.51   -41.748 1 41.668 ? 37  VAL   A CG1  1 ? 2 
ATOM   2198 C CG2  . VAL   B 1 25  ? 12.877 17.088  -41.223 1 39.65  ? 37  VAL   A CG2  1 ? 2 
ATOM   2199 H H    . VAL   B 1 25  ? 9.983  17.097  -41.67  1 37.357 ? 37  VAL   A H    1 c 2 
ATOM   2200 H HA   . VAL   B 1 25  ? 11.207 18.865  -39.958 1 36.647 ? 37  VAL   A HA   1 c 2 
ATOM   2201 H HB   . VAL   B 1 25  ? 11.894 18.201  -42.661 1 41.855 ? 37  VAL   A HB   1 c 2 
ATOM   2202 H HG11 . VAL   B 1 25  ? 13.332 19.831  -40.841 1 40.416 ? 37  VAL   A HG11 1 c 2 
ATOM   2203 H HG12 . VAL   B 1 25  ? 12.854 20.234  -42.299 1 43.241 ? 37  VAL   A HG12 1 c 2 
ATOM   2204 H HG13 . VAL   B 1 25  ? 14.043 19.202  -42.112 1 42.339 ? 37  VAL   A HG13 1 c 2 
ATOM   2205 H HG21 . VAL   B 1 25  ? 13.682 16.917  -41.74  1 40.507 ? 37  VAL   A HG21 1 c 2 
ATOM   2206 H HG22 . VAL   B 1 25  ? 12.27  16.335  -41.314 1 39.079 ? 37  VAL   A HG22 1 c 2 
ATOM   2207 H HG23 . VAL   B 1 25  ? 13.113 17.201  -40.287 1 38.026 ? 37  VAL   A HG23 1 c 2 
ATOM   2208 N N    . LYS   B 1 26  ? 10.145 21.005  -40.59  1 37.544 ? 38  LYS   A N    1 ? 2 
ATOM   2209 C CA   . LYS   B 1 26  ? 9.545  22.275  -40.978 1 41.359 ? 38  LYS   A CA   1 ? 2 
ATOM   2210 C C    . LYS   B 1 26  ? 10.58  23.253  -41.5   1 43.917 ? 38  LYS   A C    1 ? 2 
ATOM   2211 O O    . LYS   B 1 26  ? 10.237 24.129  -42.312 1 48.549 ? 38  LYS   A O    1 ? 2 
ATOM   2212 C CB   . LYS   B 1 26  ? 8.778  22.835  -39.779 1 37.71  ? 38  LYS   A CB   1 ? 2 
ATOM   2213 C CG   . LYS   B 1 26  ? 7.574  21.983  -39.277 1 39.892 ? 38  LYS   A CG   1 ? 2 
ATOM   2214 C CD   . LYS   B 1 26  ? 6.623  21.474  -40.375 1 44.687 ? 38  LYS   A CD   1 ? 2 
ATOM   2215 C CE   . LYS   B 1 26  ? 5.616  22.418  -40.781 1 42.385 ? 38  LYS   A CE   1 ? 2 
ATOM   2216 N NZ   . LYS   B 1 26  ? 4.765  22.185  -41.965 1 47.435 ? 38  LYS   A NZ   1 ? 2 
ATOM   2217 H H    . LYS   B 1 26  ? 10.485 20.923  -39.745 1 37.319 ? 38  LYS   A H    1 c 2 
ATOM   2218 H HA   . LYS   B 1 26  ? 8.899  22.103  -41.707 1 41.878 ? 38  LYS   A HA   1 c 2 
ATOM   2219 H HB2  . LYS   B 1 26  ? 9.407  22.945  -39.034 1 37.997 ? 38  LYS   A HB2  1 c 2 
ATOM   2220 H HB3  . LYS   B 1 26  ? 8.445  23.727  -40.015 1 40.794 ? 38  LYS   A HB3  1 c 2 
ATOM   2221 H HG2  . LYS   B 1 26  ? 7.928  21.211  -38.784 1 37.905 ? 38  LYS   A HG2  1 c 2 
ATOM   2222 H HG3  . LYS   B 1 26  ? 7.059  22.525  -38.64  1 39.589 ? 38  LYS   A HG3  1 c 2 
ATOM   2223 H HD2  . LYS   B 1 26  ? 7.147  21.213  -41.161 1 43.523 ? 38  LYS   A HD2  1 c 2 
ATOM   2224 H HD3  . LYS   B 1 26  ? 6.177  20.664  -40.044 1 41.435 ? 38  LYS   A HD3  1 c 2 
ATOM   2225 H HE2  . LYS   B 1 26  ? 5.023  22.546  -40.02  1 43.249 ? 38  LYS   A HE2  1 c 2 
ATOM   2226 H HE3  . LYS   B 1 26  ? 6.07   23.268  -40.919 1 45.231 ? 38  LYS   A HE3  1 c 2 
ATOM   2227 H HZ1  . LYS   B 1 26  ? 4.287  21.424  -41.853 1 45.683 ? 38  LYS   A HZ1  1 c 2 
ATOM   2228 H HZ2  . LYS   B 1 26  ? 5.283  22.106  -42.704 1 47.587 ? 38  LYS   A HZ2  1 c 2 
ATOM   2229 H HZ3  . LYS   B 1 26  ? 4.195  22.881  -42.074 1 48.093 ? 38  LYS   A HZ3  1 c 2 
ATOM   2230 N N    . ARG   B 1 27  ? 11.738 23.292  -40.862 1 43.073 ? 39  ARG   A N    1 ? 2 
ATOM   2231 C CA   . ARG   B 1 27  ? 12.858 24.094  -41.319 1 46.138 ? 39  ARG   A CA   1 ? 2 
ATOM   2232 C C    . ARG   B 1 27  ? 14.114 23.25   -41.21  1 44.761 ? 39  ARG   A C    1 ? 2 
ATOM   2233 O O    . ARG   B 1 27  ? 14.39  22.673  -40.168 1 44.79  ? 39  ARG   A O    1 ? 2 
ATOM   2234 C CB   . ARG   B 1 27  ? 12.99  25.362  -40.469 1 48.068 ? 39  ARG   A CB   1 ? 2 
ATOM   2235 C CG   . ARG   B 1 27  ? 14.243 26.178  -40.715 1 51.233 ? 39  ARG   A CG   1 ? 2 
ATOM   2236 C CD   . ARG   B 1 27  ? 14.328 27.422  -39.865 1 55.849 ? 39  ARG   A CD   1 ? 2 
ATOM   2237 N NE   . ARG   B 1 27  ? 14.991 27.104  -38.581 1 60.493 ? 39  ARG   A NE   1 ? 2 
ATOM   2238 C CZ   . ARG   B 1 27  ? 14.957 27.922  -37.515 1 58.819 ? 39  ARG   A CZ   1 ? 2 
ATOM   2239 N NH1  . ARG   B 1 27  ? 15.513 27.551  -36.369 1 52.515 ? 39  ARG   A NH1  1 ? 2 
ATOM   2240 N NH2  . ARG   B 1 27  ? 14.351 29.099  -37.627 1 58.112 ? 39  ARG   A NH2  1 ? 2 
ATOM   2241 H H    . ARG   B 1 27  ? 11.838 22.804  -40.095 1 41.307 ? 39  ARG   A H    1 c 2 
ATOM   2242 H HA   . ARG   B 1 27  ? 12.71  24.341  -42.265 1 48.301 ? 39  ARG   A HA   1 c 2 
ATOM   2243 H HB2  . ARG   B 1 27  ? 12.209 25.932  -40.638 1 49.148 ? 39  ARG   A HB2  1 c 2 
ATOM   2244 H HB3  . ARG   B 1 27  ? 12.968 25.105  -39.523 1 46.087 ? 39  ARG   A HB3  1 c 2 
ATOM   2245 H HG2  . ARG   B 1 27  ? 15.03  25.621  -40.54  1 50.88  ? 39  ARG   A HG2  1 c 2 
ATOM   2246 H HG3  . ARG   B 1 27  ? 14.271 26.44   -41.661 1 53.892 ? 39  ARG   A HG3  1 c 2 
ATOM   2247 H HD2  . ARG   B 1 27  ? 14.84  28.112  -40.334 1 58.683 ? 39  ARG   A HD2  1 c 2 
ATOM   2248 H HD3  . ARG   B 1 27  ? 13.429 27.768  -39.692 1 56.503 ? 39  ARG   A HD3  1 c 2 
ATOM   2249 H HE   . ARG   B 1 27  ? 15.426 26.353  -38.509 1 56.857 ? 39  ARG   A HE   1 c 2 
ATOM   2250 H HH11 . ARG   B 1 27  ? 15.82  26.728  -36.274 1 52.392 ? 39  ARG   A HH11 1 c 2 
ATOM   2251 H HH12 . ARG   B 1 27  ? 15.573 28.13   -35.704 1 54.373 ? 39  ARG   A HH12 1 c 2 
ATOM   2252 H HH21 . ARG   B 1 27  ? 14.668 29.704  -38.189 1 61.179 ? 39  ARG   A HH21 1 c 2 
ATOM   2253 H HH22 . ARG   B 1 27  ? 13.635 29.272  -37.138 1 58.603 ? 39  ARG   A HH22 1 c 2 
ATOM   2254 N N    . VAL   B 1 28  ? 14.825 23.076  -42.325 1 49.526 ? 40  VAL   A N    1 ? 2 
ATOM   2255 C CA   . VAL   B 1 28  ? 16.039 22.274  -42.339 1 48.878 ? 40  VAL   A CA   1 ? 2 
ATOM   2256 C C    . VAL   B 1 28  ? 17.072 22.987  -41.464 1 51.001 ? 40  VAL   A C    1 ? 2 
ATOM   2257 O O    . VAL   B 1 28  ? 17.087 24.234  -41.38  1 48.262 ? 40  VAL   A O    1 ? 2 
ATOM   2258 C CB   . VAL   B 1 28  ? 16.679 22.029  -43.737 1 54.451 ? 40  VAL   A CB   1 ? 2 
ATOM   2259 C CG1  . VAL   B 1 28  ? 15.789 21.236  -44.716 1 50.614 ? 40  VAL   A CG1  1 ? 2 
ATOM   2260 C CG2  . VAL   B 1 28  ? 17.185 23.328  -44.349 1 57.024 ? 40  VAL   A CG2  1 ? 2 
ATOM   2261 H H    . VAL   B 1 28  ? 14.547 23.466  -43.103 1 50.705 ? 40  VAL   A H    1 c 2 
ATOM   2262 H HA   . VAL   B 1 28  ? 15.837 21.406  -41.937 1 47.922 ? 40  VAL   A HA   1 c 2 
ATOM   2263 H HB   . VAL   B 1 28  ? 17.477 21.471  -43.582 1 52.464 ? 40  VAL   A HB   1 c 2 
ATOM   2264 H HG11 . VAL   B 1 28  ? 14.969 21.73   -44.883 1 52.394 ? 40  VAL   A HG11 1 c 2 
ATOM   2265 H HG12 . VAL   B 1 28  ? 15.571 20.371  -44.329 1 50.021 ? 40  VAL   A HG12 1 c 2 
ATOM   2266 H HG13 . VAL   B 1 28  ? 16.263 21.104  -45.554 1 53.838 ? 40  VAL   A HG13 1 c 2 
ATOM   2267 H HG21 . VAL   B 1 28  ? 17.268 23.223  -45.312 1 59.175 ? 40  VAL   A HG21 1 c 2 
ATOM   2268 H HG22 . VAL   B 1 28  ? 18.053 23.549  -43.974 1 57.294 ? 40  VAL   A HG22 1 c 2 
ATOM   2269 H HG23 . VAL   B 1 28  ? 16.557 24.045  -44.156 1 57.396 ? 40  VAL   A HG23 1 c 2 
ATOM   2270 N N    . GLY   B 1 29  ? 17.955 22.167  -40.88  1 47.61  ? 41  GLY   A N    1 ? 2 
ATOM   2271 C CA   . GLY   B 1 29  ? 19.106 22.629  -40.133 1 49.225 ? 41  GLY   A CA   1 ? 2 
ATOM   2272 C C    . GLY   B 1 29  ? 20.371 22.714  -40.982 1 50.601 ? 41  GLY   A C    1 ? 2 
ATOM   2273 O O    . GLY   B 1 29  ? 20.329 22.754  -42.196 1 55.719 ? 41  GLY   A O    1 ? 2 
ATOM   2274 H H    . GLY   B 1 29  ? 17.828 21.265  -40.956 1 47.382 ? 41  GLY   A H    1 c 2 
ATOM   2275 H HA2  . GLY   B 1 29  ? 18.907 23.517  -39.754 1 49.03  ? 41  GLY   A HA2  1 c 2 
ATOM   2276 H HA3  . GLY   B 1 29  ? 19.261 22.011  -39.381 1 46.912 ? 41  GLY   A HA3  1 c 2 
ATOM   2277 N N    . ASN   B 1 30  ? 21.512 22.746  -40.294 1 51.625 ? 42  ASN   A N    1 ? 2 
ATOM   2278 C CA   . ASN   B 1 30  ? 22.81  23.1    -40.832 1 53.72  ? 42  ASN   A CA   1 ? 2 
ATOM   2279 C C    . ASN   B 1 30  ? 23.765 21.962  -40.532 1 52.196 ? 42  ASN   A C    1 ? 2 
ATOM   2280 O O    . ASN   B 1 30  ? 23.674 21.363  -39.475 1 56.527 ? 42  ASN   A O    1 ? 2 
ATOM   2281 C CB   . ASN   B 1 30  ? 23.394 24.329  -40.148 1 57.847 ? 42  ASN   A CB   1 ? 2 
ATOM   2282 C CG   . ASN   B 1 30  ? 22.415 25.464  -40.048 1 62.388 ? 42  ASN   A CG   1 ? 2 
ATOM   2283 O OD1  . ASN   B 1 30  ? 21.753 25.622  -39.014 1 64.039 ? 42  ASN   A OD1  1 ? 2 
ATOM   2284 N ND2  . ASN   B 1 30  ? 22.315 26.253  -41.103 1 66.779 ? 42  ASN   A ND2  1 ? 2 
ATOM   2285 H H    . ASN   B 1 30  ? 21.473 22.527  -39.407 1 49.657 ? 42  ASN   A H    1 c 2 
ATOM   2286 H HA   . ASN   B 1 30  ? 22.748 23.264  -41.8   1 55.912 ? 42  ASN   A HA   1 c 2 
ATOM   2287 H HB2  . ASN   B 1 30  ? 23.687 24.084  -39.247 1 56.824 ? 42  ASN   A HB2  1 c 2 
ATOM   2288 H HB3  . ASN   B 1 30  ? 24.179 24.629  -40.648 1 60.335 ? 42  ASN   A HB3  1 c 2 
ATOM   2289 H HD21 . ASN   B 1 30  ? 21.857 27.01   -41.045 1 67.013 ? 42  ASN   A HD21 1 c 2 
ATOM   2290 H HD22 . ASN   B 1 30  ? 22.704 26.026  -41.867 1 67.562 ? 42  ASN   A HD22 1 c 2 
ATOM   2291 N N    . GLY   B 1 31  ? 24.675 21.681  -41.452 1 58.893 ? 43  GLY   A N    1 ? 2 
ATOM   2292 C CA   . GLY   B 1 31  ? 25.662 20.64   -41.26  1 60.587 ? 43  GLY   A CA   1 ? 2 
ATOM   2293 C C    . GLY   B 1 31  ? 25.05  19.244  -41.403 1 60.376 ? 43  GLY   A C    1 ? 2 
ATOM   2294 O O    . GLY   B 1 31  ? 23.892 19.084  -41.768 1 60.05  ? 43  GLY   A O    1 ? 2 
ATOM   2295 H H    . GLY   B 1 31  ? 24.685 22.156  -42.233 1 59.944 ? 43  GLY   A H    1 c 2 
ATOM   2296 H HA2  . GLY   B 1 31  ? 26.381 20.752  -41.926 1 62.887 ? 43  GLY   A HA2  1 c 2 
ATOM   2297 H HA3  . GLY   B 1 31  ? 26.062 20.734  -40.364 1 59.86  ? 43  GLY   A HA3  1 c 2 
ATOM   2298 N N    . GLU   B 1 32  ? 25.866 18.236  -41.151 1 57.467 ? 44  GLU   A N    1 ? 2 
ATOM   2299 C CA   . GLU   B 1 32  ? 25.466 16.847  -41.337 1 57.599 ? 44  GLU   A CA   1 ? 2 
ATOM   2300 C C    . GLU   B 1 32  ? 25.281 16.167  -39.964 1 54.201 ? 44  GLU   A C    1 ? 2 
ATOM   2301 O O    . GLU   B 1 32  ? 24.487 15.249  -39.831 1 51.437 ? 44  GLU   A O    1 ? 2 
ATOM   2302 C CB   . GLU   B 1 32  ? 26.501 16.28   -42.335 1 56.478 ? 44  GLU   A CB   1 ? 2 
ATOM   2303 H H    . GLU   B 1 32  ? 26.716 18.414  -40.864 1 59.442 ? 44  GLU   A H    1 c 2 
ATOM   2304 H HA   . GLU   B 1 32  ? 24.588 16.838  -41.795 1 55.85  ? 44  GLU   A HA   1 c 2 
ATOM   2305 H HB2  . GLU   B 1 32  ? 27.395 16.496  -42.015 0 30     ? 44  GLU   A HB2  1 c 2 
ATOM   2306 H HB3  . GLU   B 1 32  ? 26.009 15.916  -43.106 0 30     ? 44  GLU   A HB3  1 c 2 
ATOM   2307 N N    . GLU   B 1 33  ? 25.976 16.662  -38.931 1 53.948 ? 45  GLU   A N    1 ? 2 
ATOM   2308 C CA   . GLU   B 1 33  ? 26.002 16.042  -37.615 1 49.561 ? 45  GLU   A CA   1 ? 2 
ATOM   2309 C C    . GLU   B 1 33  ? 24.639 16.085  -36.947 1 45.592 ? 45  GLU   A C    1 ? 2 
ATOM   2310 O O    . GLU   B 1 33  ? 23.956 17.119  -36.91  1 42.129 ? 45  GLU   A O    1 ? 2 
ATOM   2311 C CB   . GLU   B 1 33  ? 27.088 16.7    -36.759 1 55.644 ? 45  GLU   A CB   1 ? 2 
ATOM   2312 H H    . GLU   B 1 33  ? 26.46  17.427  -39.055 1 54.63  ? 45  GLU   A H    1 c 2 
ATOM   2313 H HA   . GLU   B 1 33  ? 26.255 15.094  -37.737 1 51.063 ? 45  GLU   A HA   1 c 2 
ATOM   2314 H HB2  . GLU   B 1 33  ? 27.964 16.427  -37.106 0 30     ? 45  GLU   A HB2  1 c 2 
ATOM   2315 H HB3  . GLU   B 1 33  ? 26.657 17.233  -36.062 0 30     ? 45  GLU   A HB3  1 c 2 
ATOM   2316 N N    . THR   B 1 34  ? 24.262 14.96   -36.343 1 42.949 ? 46  THR   A N    1 ? 2 
ATOM   2317 C CA   . THR   B 1 34  ? 23.1   14.901  -35.457 1 41.511 ? 46  THR   A CA   1 ? 2 
ATOM   2318 C C    . THR   B 1 34  ? 23.557 14.393  -34.098 1 42.036 ? 46  THR   A C    1 ? 2 
ATOM   2319 O O    . THR   B 1 34  ? 24.544 13.736  -34.006 1 46.574 ? 46  THR   A O    1 ? 2 
ATOM   2320 C CB   . THR   B 1 34  ? 22.051 13.982  -36.048 1 40.174 ? 46  THR   A CB   1 ? 2 
ATOM   2321 O OG1  . THR   B 1 34  ? 22.598 12.657  -36.192 1 37.538 ? 46  THR   A OG1  1 ? 2 
ATOM   2322 C CG2  . THR   B 1 34  ? 21.643 14.504  -37.41  1 42.666 ? 46  THR   A CG2  1 ? 2 
ATOM   2323 H H    . THR   B 1 34  ? 24.745 14.197  -36.479 1 44.368 ? 46  THR   A H    1 c 2 
ATOM   2324 H HA   . THR   B 1 34  ? 22.722 15.801  -35.359 1 40.931 ? 46  THR   A HA   1 c 2 
ATOM   2325 H HB   . THR   B 1 34  ? 21.26  13.95   -35.459 1 38.276 ? 46  THR   A HB   1 c 2 
ATOM   2326 H HG1  . THR   B 1 34  ? 23.293 12.691  -36.719 0 30     ? 46  THR   A HG1  1 c 2 
ATOM   2327 H HG21 . THR   B 1 34  ? 20.837 14.046  -37.704 1 41.505 ? 46  THR   A HG21 1 c 2 
ATOM   2328 H HG22 . THR   B 1 34  ? 22.357 14.341  -38.049 1 43.778 ? 46  THR   A HG22 1 c 2 
ATOM   2329 H HG23 . THR   B 1 34  ? 21.47  15.459  -37.354 1 41.987 ? 46  THR   A HG23 1 c 2 
ATOM   2330 N N    . PRO   B 1 35  ? 22.865 14.658  -32.993 1 37.78  ? 47  PRO   A N    1 ? 2 
ATOM   2331 C CA   . PRO   B 1 35  ? 23.417 14.278  -31.696 1 39.499 ? 47  PRO   A CA   1 ? 2 
ATOM   2332 C C    . PRO   B 1 35  ? 23.584 12.78   -31.505 1 38.077 ? 47  PRO   A C    1 ? 2 
ATOM   2333 O O    . PRO   B 1 35  ? 22.745 11.996  -31.914 1 37.765 ? 47  PRO   A O    1 ? 2 
ATOM   2334 C CB   . PRO   B 1 35  ? 22.404 14.871  -30.701 1 38.174 ? 47  PRO   A CB   1 ? 2 
ATOM   2335 C CG   . PRO   B 1 35  ? 21.182 15.188  -31.49  1 37.338 ? 47  PRO   A CG   1 ? 2 
ATOM   2336 C CD   . PRO   B 1 35  ? 21.585 15.393  -32.914 1 39.963 ? 47  PRO   A CD   1 ? 2 
ATOM   2337 H HA   . PRO   B 1 35  ? 24.291 14.729  -31.58  1 40.229 ? 47  PRO   A HA   1 c 2 
ATOM   2338 H HB2  . PRO   B 1 35  ? 22.202 14.229  -29.986 1 37.908 ? 47  PRO   A HB2  1 c 2 
ATOM   2339 H HB3  . PRO   B 1 35  ? 22.767 15.688  -30.284 1 38.81  ? 47  PRO   A HB3  1 c 2 
ATOM   2340 H HG2  . PRO   B 1 35  ? 20.538 14.452  -31.425 1 36.662 ? 47  PRO   A HG2  1 c 2 
ATOM   2341 H HG3  . PRO   B 1 35  ? 20.755 15.998  -31.141 1 37.104 ? 47  PRO   A HG3  1 c 2 
ATOM   2342 H HD2  . PRO   B 1 35  ? 20.917 15.015  -33.527 1 38.084 ? 47  PRO   A HD2  1 c 2 
ATOM   2343 H HD3  . PRO   B 1 35  ? 21.708 16.347  -33.113 1 39.145 ? 47  PRO   A HD3  1 c 2 
ATOM   2344 N N    . MET   B 1 36  ? 24.543 12.431  -30.675 1 38.756 ? 48  MET   A N    1 ? 2 
ATOM   2345 C CA   . MET   B 1 36  ? 24.756 11.077  -30.228 1 37.827 ? 48  MET   A CA   1 ? 2 
ATOM   2346 C C    . MET   B 1 36  ? 24.193 10.893  -28.827 1 37.864 ? 48  MET   A C    1 ? 2 
ATOM   2347 O O    . MET   B 1 36  ? 24.072 11.842  -28.04  1 34.811 ? 48  MET   A O    1 ? 2 
ATOM   2348 C CB   . MET   B 1 36  ? 26.251 10.821  -30.157 1 40.932 ? 48  MET   A CB   1 ? 2 
ATOM   2349 C CG   . MET   B 1 36  ? 26.998 10.948  -31.435 1 46.396 ? 48  MET   A CG   1 ? 2 
ATOM   2350 S SD   . MET   B 1 36  ? 26.565 9.599   -32.576 1 45.723 ? 48  MET   A SD   1 ? 2 
ATOM   2351 C CE   . MET   B 1 36  ? 27.592 10.033  -33.979 1 50.48  ? 48  MET   A CE   1 ? 2 
ATOM   2352 H H    . MET   B 1 36  ? 25.109 13.078  -30.368 1 39.276 ? 48  MET   A H    1 c 2 
ATOM   2353 H HA   . MET   B 1 36  ? 24.324 10.444  -30.855 1 38.087 ? 48  MET   A HA   1 c 2 
ATOM   2354 H HB2  . MET   B 1 36  ? 26.638 11.446  -29.508 1 42.126 ? 48  MET   A HB2  1 c 2 
ATOM   2355 H HB3  . MET   B 1 36  ? 26.389 9.915   -29.806 1 42.489 ? 48  MET   A HB3  1 c 2 
ATOM   2356 H HG2  . MET   B 1 36  ? 26.788 11.805  -31.857 1 44.471 ? 48  MET   A HG2  1 c 2 
ATOM   2357 H HG3  . MET   B 1 36  ? 27.959 10.921  -31.258 1 47.001 ? 48  MET   A HG3  1 c 2 
ATOM   2358 H HE1  . MET   B 1 36  ? 27.467 9.375   -34.688 1 50.469 ? 48  MET   A HE1  1 c 2 
ATOM   2359 H HE2  . MET   B 1 36  ? 27.338 10.916  -34.306 1 49.026 ? 48  MET   A HE2  1 c 2 
ATOM   2360 H HE3  . MET   B 1 36  ? 28.527 10.043  -33.706 1 51.54  ? 48  MET   A HE3  1 c 2 
ATOM   2361 N N    . ILE   B 1 37  ? 24.082 9.632   -28.44  1 37.523 ? 49  ILE   A N    1 ? 2 
ATOM   2362 C CA   . ILE   B 1 37  ? 23.67  9.332   -27.074 1 39.204 ? 49  ILE   A CA   1 ? 2 
ATOM   2363 C C    . ILE   B 1 37  ? 24.743 9.854   -26.128 1 39.71  ? 49  ILE   A C    1 ? 2 
ATOM   2364 O O    . ILE   B 1 37  ? 25.928 9.697   -26.387 1 40.149 ? 49  ILE   A O    1 ? 2 
ATOM   2365 C CB   . ILE   B 1 37  ? 23.38  7.833   -26.866 1 37.838 ? 49  ILE   A CB   1 ? 2 
ATOM   2366 C CG1  . ILE   B 1 37  ? 22.15  7.4     -27.571 1 39.409 ? 49  ILE   A CG1  1 ? 2 
ATOM   2367 C CG2  . ILE   B 1 37  ? 23.249 7.53    -25.377 1 40.345 ? 49  ILE   A CG2  1 ? 2 
ATOM   2368 C CD1  . ILE   B 1 37  ? 21.997 5.919   -27.676 1 40.369 ? 49  ILE   A CD1  1 ? 2 
ATOM   2369 H H    . ILE   B 1 37  ? 24.26  8.948   -29.019 1 38.82  ? 49  ILE   A H    1 c 2 
ATOM   2370 H HA   . ILE   B 1 37  ? 22.843 9.822   -26.898 1 36.644 ? 49  ILE   A HA   1 c 2 
ATOM   2371 H HB   . ILE   B 1 37  ? 24.135 7.323   -27.222 1 40.741 ? 49  ILE   A HB   1 c 2 
ATOM   2372 H HG12 . ILE   B 1 37  ? 21.373 7.763   -27.1   1 37.235 ? 49  ILE   A HG12 1 c 2 
ATOM   2373 H HG13 . ILE   B 1 37  ? 22.155 7.779   -28.474 1 37.934 ? 49  ILE   A HG13 1 c 2 
ATOM   2374 H HG21 . ILE   B 1 37  ? 22.971 6.607   -25.253 1 40.466 ? 49  ILE   A HG21 1 c 2 
ATOM   2375 H HG22 . ILE   B 1 37  ? 22.586 8.12    -24.982 1 38.531 ? 49  ILE   A HG22 1 c 2 
ATOM   2376 H HG23 . ILE   B 1 37  ? 24.104 7.667   -24.938 1 41.401 ? 49  ILE   A HG23 1 c 2 
ATOM   2377 H HD11 . ILE   B 1 37  ? 22.855 5.516   -27.908 1 42.163 ? 49  ILE   A HD11 1 c 2 
ATOM   2378 H HD12 . ILE   B 1 37  ? 21.343 5.708   -28.369 1 39.627 ? 49  ILE   A HD12 1 c 2 
ATOM   2379 H HD13 . ILE   B 1 37  ? 21.69  5.558   -26.822 1 40.738 ? 49  ILE   A HD13 1 c 2 
ATOM   2380 N N    . GLY   B 1 38  ? 24.279 10.544  -25.075 1 41.544 ? 50  GLY   A N    1 ? 2 
ATOM   2381 C CA   . GLY   B 1 38  ? 25.116 11.239  -24.112 1 42.488 ? 50  GLY   A CA   1 ? 2 
ATOM   2382 C C    . GLY   B 1 38  ? 25.28  12.747  -24.346 1 44.057 ? 50  GLY   A C    1 ? 2 
ATOM   2383 O O    . GLY   B 1 38  ? 25.839 13.437  -23.477 1 42.933 ? 50  GLY   A O    1 ? 2 
ATOM   2384 H H    . GLY   B 1 38  ? 23.374 10.576  -24.95  1 39.333 ? 50  GLY   A H    1 c 2 
ATOM   2385 H HA2  . GLY   B 1 38  ? 24.733 11.1    -23.214 1 43.283 ? 50  GLY   A HA2  1 c 2 
ATOM   2386 H HA3  . GLY   B 1 38  ? 26.009 10.821  -24.114 1 44.906 ? 50  GLY   A HA3  1 c 2 
ATOM   2387 N N    . ASP   B 1 39  ? 25.088 13.223  -25.569 1 38.332 ? 51  ASP   A N    1 ? 2 
ATOM   2388 C CA   . ASP   B 1 39  ? 25.304 14.643  -25.872 1 37.34  ? 51  ASP   A CA   1 ? 2 
ATOM   2389 C C    . ASP   B 1 39  ? 24.316 15.488  -25.067 1 34.949 ? 51  ASP   A C    1 ? 2 
ATOM   2390 O O    . ASP   B 1 39  ? 23.157 15.083  -24.826 1 34.51  ? 51  ASP   A O    1 ? 2 
ATOM   2391 C CB   . ASP   B 1 39  ? 25.078 14.989  -27.347 1 35.795 ? 51  ASP   A CB   1 ? 2 
ATOM   2392 C CG   . ASP   B 1 39  ? 26.175 14.481  -28.286 1 38.925 ? 51  ASP   A CG   1 ? 2 
ATOM   2393 O OD1  . ASP   B 1 39  ? 27.189 13.976  -27.781 1 39.809 ? 51  ASP   A OD1  1 ? 2 
ATOM   2394 O OD2  . ASP   B 1 39  ? 26.008 14.608  -29.534 1 39.366 ? 51  ASP   A OD2  1 ? 2 
ATOM   2395 H H    . ASP   B 1 39  ? 24.818 12.664  -26.239 1 38.362 ? 51  ASP   A H    1 c 2 
ATOM   2396 H HA   . ASP   B 1 39  ? 26.223 14.884  -25.615 1 39.02  ? 51  ASP   A HA   1 c 2 
ATOM   2397 H HB2  . ASP   B 1 39  ? 24.224 14.604  -27.635 1 34.731 ? 51  ASP   A HB2  1 c 2 
ATOM   2398 H HB3  . ASP   B 1 39  ? 25.02  15.962  -27.444 1 36.237 ? 51  ASP   A HB3  1 c 2 
ATOM   2399 N N    . LYS   B 1 40  ? 24.805 16.685  -24.723 1 39.577 ? 52  LYS   A N    1 ? 2 
ATOM   2400 C CA   . LYS   B 1 40  ? 23.958 17.647  -24.053 1 40.724 ? 52  LYS   A CA   1 ? 2 
ATOM   2401 C C    . LYS   B 1 40  ? 23.219 18.378  -25.169 1 35.756 ? 52  LYS   A C    1 ? 2 
ATOM   2402 O O    . LYS   B 1 40  ? 23.852 18.904  -26.071 1 42.177 ? 52  LYS   A O    1 ? 2 
ATOM   2403 C CB   . LYS   B 1 40  ? 24.877 18.457  -23.131 1 46.022 ? 52  LYS   A CB   1 ? 2 
ATOM   2404 C CG   . LYS   B 1 40  ? 24.182 19.473  -22.251 1 48.839 ? 52  LYS   A CG   1 ? 2 
ATOM   2405 C CD   . LYS   B 1 40  ? 25.151 20.282  -21.377 1 55.286 ? 52  LYS   A CD   1 ? 2 
ATOM   2406 C CE   . LYS   B 1 40  ? 24.362 21.474  -20.913 1 57.596 ? 52  LYS   A CE   1 ? 2 
ATOM   2407 N NZ   . LYS   B 1 40  ? 24.978 22.544  -20.139 1 66.67  ? 52  LYS   A NZ   1 ? 2 
ATOM   2408 H H    . LYS   B 1 40  ? 25.673 16.904  -24.913 1 40.514 ? 52  LYS   A H    1 c 2 
ATOM   2409 H HA   . LYS   B 1 40  ? 23.3   17.158  -23.497 1 39.335 ? 52  LYS   A HA   1 c 2 
ATOM   2410 H HB2  . LYS   B 1 40  ? 25.367 17.834  -22.554 1 46.999 ? 52  LYS   A HB2  1 c 2 
ATOM   2411 H HB3  . LYS   B 1 40  ? 25.536 18.929  -23.684 1 46.798 ? 52  LYS   A HB3  1 c 2 
ATOM   2412 H HG2  . LYS   B 1 40  ? 23.673 20.086  -22.825 1 48.049 ? 52  LYS   A HG2  1 c 2 
ATOM   2413 H HG3  . LYS   B 1 40  ? 23.544 19.002  -21.672 1 48.246 ? 52  LYS   A HG3  1 c 2 
ATOM   2414 H HD2  . LYS   B 1 40  ? 25.445 19.752  -20.604 1 55.997 ? 52  LYS   A HD2  1 c 2 
ATOM   2415 H HD3  . LYS   B 1 40  ? 25.927 20.576  -21.902 1 55.947 ? 52  LYS   A HD3  1 c 2 
ATOM   2416 H HE2  . LYS   B 1 40  ? 23.943 21.878  -21.691 1 57.17  ? 52  LYS   A HE2  1 c 2 
ATOM   2417 H HE3  . LYS   B 1 40  ? 23.634 21.122  -20.371 1 57.487 ? 52  LYS   A HE3  1 c 2 
ATOM   2418 H HZ1  . LYS   B 1 40  ? 25.613 22.956  -20.636 1 65.614 ? 52  LYS   A HZ1  1 c 2 
ATOM   2419 H HZ2  . LYS   B 1 40  ? 25.36  22.201  -19.392 1 66.014 ? 52  LYS   A HZ2  1 c 2 
ATOM   2420 H HZ3  . LYS   B 1 40  ? 24.348 23.15   -19.899 1 64.705 ? 52  LYS   A HZ3  1 c 2 
ATOM   2421 N N    . VAL   B 1 41  ? 21.884 18.43   -25.102 1 36.812 ? 53  VAL   A N    1 ? 2 
ATOM   2422 C CA   . VAL   B 1 41  ? 21.102 18.989  -26.194 1 35.351 ? 53  VAL   A CA   1 ? 2 
ATOM   2423 C C    . VAL   B 1 41  ? 20.321 20.217  -25.703 1 39.248 ? 53  VAL   A C    1 ? 2 
ATOM   2424 O O    . VAL   B 1 41  ? 19.789 20.195  -24.599 1 35.078 ? 53  VAL   A O    1 ? 2 
ATOM   2425 C CB   . VAL   B 1 41  ? 20.195 17.864  -26.728 1 37.225 ? 53  VAL   A CB   1 ? 2 
ATOM   2426 C CG1  . VAL   B 1 41  ? 19.192 18.359  -27.751 1 40.627 ? 53  VAL   A CG1  1 ? 2 
ATOM   2427 C CG2  . VAL   B 1 41  ? 21.08  16.78   -27.35  1 38.219 ? 53  VAL   A CG2  1 ? 2 
ATOM   2428 H H    . VAL   B 1 41  ? 21.452 18.112  -24.362 1 35.792 ? 53  VAL   A H    1 c 2 
ATOM   2429 H HA   . VAL   B 1 41  ? 21.708 19.266  -26.908 1 37.362 ? 53  VAL   A HA   1 c 2 
ATOM   2430 H HB   . VAL   B 1 41  ? 19.709 17.479  -25.961 1 36.904 ? 53  VAL   A HB   1 c 2 
ATOM   2431 H HG11 . VAL   B 1 41  ? 19.616 19.016  -28.328 1 39.848 ? 53  VAL   A HG11 1 c 2 
ATOM   2432 H HG12 . VAL   B 1 41  ? 18.438 18.768  -27.295 1 38.705 ? 53  VAL   A HG12 1 c 2 
ATOM   2433 H HG13 . VAL   B 1 41  ? 18.877 17.613  -28.288 1 38.289 ? 53  VAL   A HG13 1 c 2 
ATOM   2434 H HG21 . VAL   B 1 41  ? 20.52  16.104  -27.768 1 37.025 ? 53  VAL   A HG21 1 c 2 
ATOM   2435 H HG22 . VAL   B 1 41  ? 21.623 16.366  -26.659 1 38.772 ? 53  VAL   A HG22 1 c 2 
ATOM   2436 H HG23 . VAL   B 1 41  ? 21.659 17.179  -28.021 1 38.73  ? 53  VAL   A HG23 1 c 2 
ATOM   2437 N N    . TYR   B 1 42  ? 20.311 21.274  -26.536 1 37.01  ? 54  TYR   A N    1 ? 2 
ATOM   2438 C CA   . TYR   B 1 42  ? 19.592 22.505  -26.202 1 39.1   ? 54  TYR   A CA   1 ? 2 
ATOM   2439 C C    . TYR   B 1 42  ? 18.472 22.692  -27.218 1 35.897 ? 54  TYR   A C    1 ? 2 
ATOM   2440 O O    . TYR   B 1 42  ? 18.753 22.724  -28.428 1 35.505 ? 54  TYR   A O    1 ? 2 
ATOM   2441 C CB   . TYR   B 1 42  ? 20.562 23.691  -26.273 1 44.49  ? 54  TYR   A CB   1 ? 2 
ATOM   2442 C CG   . TYR   B 1 42  ? 21.757 23.656  -25.324 1 47.772 ? 54  TYR   A CG   1 ? 2 
ATOM   2443 C CD1  . TYR   B 1 42  ? 22.853 22.846  -25.58  1 50.147 ? 54  TYR   A CD1  1 ? 2 
ATOM   2444 C CD2  . TYR   B 1 42  ? 21.792 24.455  -24.192 1 50.152 ? 54  TYR   A CD2  1 ? 2 
ATOM   2445 C CE1  . TYR   B 1 42  ? 23.946 22.825  -24.736 1 52.809 ? 54  TYR   A CE1  1 ? 2 
ATOM   2446 C CE2  . TYR   B 1 42  ? 22.894 24.463  -23.351 1 54.419 ? 54  TYR   A CE2  1 ? 2 
ATOM   2447 C CZ   . TYR   B 1 42  ? 23.968 23.65   -23.633 1 57.051 ? 54  TYR   A CZ   1 ? 2 
ATOM   2448 O OH   . TYR   B 1 42  ? 25.054 23.643  -22.817 1 63.773 ? 54  TYR   A OH   1 ? 2 
ATOM   2449 H H    . TYR   B 1 42  ? 20.76  21.228  -27.33  1 38.155 ? 54  TYR   A H    1 c 2 
ATOM   2450 H HA   . TYR   B 1 42  ? 19.211 22.438  -25.287 1 38.871 ? 54  TYR   A HA   1 c 2 
ATOM   2451 H HB2  . TYR   B 1 42  ? 20.9   23.753  -27.194 1 44.226 ? 54  TYR   A HB2  1 c 2 
ATOM   2452 H HB3  . TYR   B 1 42  ? 20.051 24.513  -26.1   1 44.785 ? 54  TYR   A HB3  1 c 2 
ATOM   2453 H HD1  . TYR   B 1 42  ? 22.85  22.293  -26.345 1 48.735 ? 54  TYR   A HD1  1 c 2 
ATOM   2454 H HD2  . TYR   B 1 42  ? 21.067 25.03   -24.008 1 50.613 ? 54  TYR   A HD2  1 c 2 
ATOM   2455 H HE1  . TYR   B 1 42  ? 24.687 22.277  -24.932 1 53.594 ? 54  TYR   A HE1  1 c 2 
ATOM   2456 H HE2  . TYR   B 1 42  ? 22.907 25.017  -22.589 1 55.957 ? 54  TYR   A HE2  1 c 2 
ATOM   2457 H HH   . TYR   B 1 42  ? 25.631 24.209  -23.077 0 30     ? 54  TYR   A HH   1 c 2 
ATOM   2458 N N    . VAL   B 1 43  ? 17.25  22.88   -26.737 1 34.854 ? 55  VAL   A N    1 ? 2 
ATOM   2459 C CA   . VAL   B 1 43  ? 16.129 23.007  -27.659 1 33.56  ? 55  VAL   A CA   1 ? 2 
ATOM   2460 C C    . VAL   B 1 43  ? 15.176 24.105  -27.185 1 35.737 ? 55  VAL   A C    1 ? 2 
ATOM   2461 O O    . VAL   B 1 43  ? 15.13  24.464  -26.001 1 36.796 ? 55  VAL   A O    1 ? 2 
ATOM   2462 C CB   . VAL   B 1 43  ? 15.29  21.727  -27.878 1 33.917 ? 55  VAL   A CB   1 ? 2 
ATOM   2463 C CG1  . VAL   B 1 43  ? 16.099 20.541  -28.352 1 30.201 ? 55  VAL   A CG1  1 ? 2 
ATOM   2464 C CG2  . VAL   B 1 43  ? 14.453 21.358  -26.679 1 32.092 ? 55  VAL   A CG2  1 ? 2 
ATOM   2465 H H    . VAL   B 1 43  ? 17.104 22.931  -25.836 1 35.19  ? 55  VAL   A H    1 c 2 
ATOM   2466 H HA   . VAL   B 1 43  ? 16.487 23.279  -28.524 1 34.797 ? 55  VAL   A HA   1 c 2 
ATOM   2467 H HB   . VAL   B 1 43  ? 14.654 21.932  -28.601 1 32.453 ? 55  VAL   A HB   1 c 2 
ATOM   2468 H HG11 . VAL   B 1 43  ? 16.721 20.273  -27.655 1 31.396 ? 55  VAL   A HG11 1 c 2 
ATOM   2469 H HG12 . VAL   B 1 43  ? 16.596 20.785  -29.151 1 31.606 ? 55  VAL   A HG12 1 c 2 
ATOM   2470 H HG13 . VAL   B 1 43  ? 15.503 19.801  -28.556 1 29.98  ? 55  VAL   A HG13 1 c 2 
ATOM   2471 H HG21 . VAL   B 1 43  ? 14.153 20.438  -26.763 1 31.345 ? 55  VAL   A HG21 1 c 2 
ATOM   2472 H HG22 . VAL   B 1 43  ? 13.679 21.944  -26.628 1 32.737 ? 55  VAL   A HG22 1 c 2 
ATOM   2473 H HG23 . VAL   B 1 43  ? 14.984 21.453  -25.87  1 33.153 ? 55  VAL   A HG23 1 c 2 
ATOM   2474 N N    . HIS   B 1 44  ? 14.376 24.621  -28.13  1 38.69  ? 56  HIS   A N    1 ? 2 
ATOM   2475 C CA   . HIS   B 1 44  ? 13.113 25.255  -27.79  1 37.825 ? 56  HIS   A CA   1 ? 2 
ATOM   2476 C C    . HIS   B 1 44  ? 11.985 24.35   -28.258 1 33.519 ? 56  HIS   A C    1 ? 2 
ATOM   2477 O O    . HIS   B 1 44  ? 12.105 23.728  -29.265 1 35.448 ? 56  HIS   A O    1 ? 2 
ATOM   2478 C CB   . HIS   B 1 44  ? 12.998 26.672  -28.375 1 43.325 ? 56  HIS   A CB   1 ? 2 
ATOM   2479 C CG   . HIS   B 1 44  ? 13.532 27.726  -27.477 1 44.434 ? 56  HIS   A CG   1 ? 2 
ATOM   2480 N ND1  . HIS   B 1 44  ? 13.116 27.978  -26.177 1 43.779 ? 56  HIS   A ND1  1 ? 2 
ATOM   2481 C CD2  . HIS   B 1 44  ? 14.507 28.57   -27.742 1 45.948 ? 56  HIS   A CD2  1 ? 2 
ATOM   2482 C CE1  . HIS   B 1 44  ? 13.816 29.003  -25.726 1 47.679 ? 56  HIS   A CE1  1 ? 2 
ATOM   2483 N NE2  . HIS   B 1 44  ? 14.67  29.354  -26.651 1 47.593 ? 56  HIS   A NE2  1 ? 2 
ATOM   2484 H H    . HIS   B 1 44  ? 14.626 24.577  -29.008 1 37.66  ? 56  HIS   A H    1 c 2 
ATOM   2485 H HA   . HIS   B 1 44  ? 13.061 25.321  -26.806 1 38.411 ? 56  HIS   A HA   1 c 2 
ATOM   2486 H HB2  . HIS   B 1 44  ? 13.486 26.701  -29.227 1 42.525 ? 56  HIS   A HB2  1 c 2 
ATOM   2487 H HB3  . HIS   B 1 44  ? 12.052 26.862  -28.562 1 42.411 ? 56  HIS   A HB3  1 c 2 
ATOM   2488 H HD1  . HIS   B 1 44  ? 12.498 27.521  -25.736 0 30     ? 56  HIS   A HD1  1 c 2 
ATOM   2489 H HD2  . HIS   B 1 44  ? 14.988 28.638  -28.543 1 46.297 ? 56  HIS   A HD2  1 c 2 
ATOM   2490 H HE1  . HIS   B 1 44  ? 13.743 29.383  -24.867 1 48.377 ? 56  HIS   A HE1  1 c 2 
ATOM   2491 H HE2  . HIS   B 1 44  ? 15.243 30.008  -26.563 0 30     ? 56  HIS   A HE2  1 c 2 
ATOM   2492 N N    . TYR   B 1 45  ? 10.874 24.319  -27.534 1 34.477 ? 57  TYR   A N    1 ? 2 
ATOM   2493 C CA   . TYR   B 1 45  ? 9.771  23.487  -27.916 1 31.766 ? 57  TYR   A CA   1 ? 2 
ATOM   2494 C C    . TYR   B 1 45  ? 8.442  24.132  -27.481 1 34.802 ? 57  TYR   A C    1 ? 2 
ATOM   2495 O O    . TYR   B 1 45  ? 8.308  24.86   -26.492 1 33.429 ? 57  TYR   A O    1 ? 2 
ATOM   2496 C CB   . TYR   B 1 45  ? 9.888  22.041  -27.368 1 30.857 ? 57  TYR   A CB   1 ? 2 
ATOM   2497 C CG   . TYR   B 1 45  ? 9.61   21.954  -25.879 1 29.491 ? 57  TYR   A CG   1 ? 2 
ATOM   2498 C CD1  . TYR   B 1 45  ? 10.649 22.158  -24.958 1 33.014 ? 57  TYR   A CD1  1 ? 2 
ATOM   2499 C CD2  . TYR   B 1 45  ? 8.347  21.683  -25.382 1 27.649 ? 57  TYR   A CD2  1 ? 2 
ATOM   2500 C CE1  . TYR   B 1 45  ? 10.353 22.228  -23.596 1 34.45  ? 57  TYR   A CE1  1 ? 2 
ATOM   2501 C CE2  . TYR   B 1 45  ? 8.058  21.693  -24.019 1 30.19  ? 57  TYR   A CE2  1 ? 2 
ATOM   2502 C CZ   . TYR   B 1 45  ? 9.107  21.879  -23.129 1 32.12  ? 57  TYR   A CZ   1 ? 2 
ATOM   2503 O OH   . TYR   B 1 45  ? 8.695  21.86   -21.814 1 30.491 ? 57  TYR   A OH   1 ? 2 
ATOM   2504 H H    . TYR   B 1 45  ? 10.805 24.834  -26.782 1 34.876 ? 57  TYR   A H    1 c 2 
ATOM   2505 H HA   . TYR   B 1 45  ? 9.768  23.433  -28.905 1 32.468 ? 57  TYR   A HA   1 c 2 
ATOM   2506 H HB2  . TYR   B 1 45  ? 9.249  21.468  -27.848 1 29.507 ? 57  TYR   A HB2  1 c 2 
ATOM   2507 H HB3  . TYR   B 1 45  ? 10.796 21.708  -27.546 1 29.921 ? 57  TYR   A HB3  1 c 2 
ATOM   2508 H HD1  . TYR   B 1 45  ? 11.51  22.397  -25.265 1 32.716 ? 57  TYR   A HD1  1 c 2 
ATOM   2509 H HD2  . TYR   B 1 45  ? 7.642  21.539  -25.992 1 28.198 ? 57  TYR   A HD2  1 c 2 
ATOM   2510 H HE1  . TYR   B 1 45  ? 11.055 22.342  -22.979 1 34.424 ? 57  TYR   A HE1  1 c 2 
ATOM   2511 H HE2  . TYR   B 1 45  ? 7.194  21.485  -23.709 1 30.164 ? 57  TYR   A HE2  1 c 2 
ATOM   2512 H HH   . TYR   B 1 45  ? 8.366  22.62   -21.595 0 30     ? 57  TYR   A HH   1 c 2 
ATOM   2513 N N    . LYS   B 1 46  ? 7.394  23.658  -28.143 1 31.858 ? 58  LYS   A N    1 ? 2 
ATOM   2514 C CA   . LYS   B 1 46  ? 6.015  23.795  -27.739 1 33.196 ? 58  LYS   A CA   1 ? 2 
ATOM   2515 C C    . LYS   B 1 46  ? 5.359  22.429  -27.837 1 34.451 ? 58  LYS   A C    1 ? 2 
ATOM   2516 O O    . LYS   B 1 46  ? 5.586  21.692  -28.785 1 33.83  ? 58  LYS   A O    1 ? 2 
ATOM   2517 C CB   . LYS   B 1 46  ? 5.204  24.73   -28.672 1 37.672 ? 58  LYS   A CB   1 ? 2 
ATOM   2518 C CG   . LYS   B 1 46  ? 5.637  26.094  -28.666 1 40.928 ? 58  LYS   A CG   1 ? 2 
ATOM   2519 C CD   . LYS   B 1 46  ? 4.655  27.052  -29.344 1 44.859 ? 58  LYS   A CD   1 ? 2 
ATOM   2520 C CE   . LYS   B 1 46  ? 5.034  27.525  -30.694 1 47.992 ? 58  LYS   A CE   1 ? 2 
ATOM   2521 N NZ   . LYS   B 1 46  ? 4.252  28.717  -30.99  1 47.611 ? 58  LYS   A NZ   1 ? 2 
ATOM   2522 H H    . LYS   B 1 46  ? 7.559  23.21   -28.923 1 31.903 ? 58  LYS   A H    1 c 2 
ATOM   2523 H HA   . LYS   B 1 46  ? 5.979  24.12   -26.806 1 34.639 ? 58  LYS   A HA   1 c 2 
ATOM   2524 H HB2  . LYS   B 1 46  ? 5.263  24.389  -29.59  1 36.837 ? 58  LYS   A HB2  1 c 2 
ATOM   2525 H HB3  . LYS   B 1 46  ? 4.261  24.701  -28.402 1 37.766 ? 58  LYS   A HB3  1 c 2 
ATOM   2526 H HG2  . LYS   B 1 46  ? 5.77   26.377  -27.738 1 41.542 ? 58  LYS   A HG2  1 c 2 
ATOM   2527 H HG3  . LYS   B 1 46  ? 6.505  26.148  -29.123 1 40.829 ? 58  LYS   A HG3  1 c 2 
ATOM   2528 H HD2  . LYS   B 1 46  ? 3.779  26.611  -29.403 1 44.597 ? 58  LYS   A HD2  1 c 2 
ATOM   2529 H HD3  . LYS   B 1 46  ? 4.542  27.832  -28.759 1 46.516 ? 58  LYS   A HD3  1 c 2 
ATOM   2530 H HE2  . LYS   B 1 46  ? 5.983  27.743  -30.724 1 46.628 ? 58  LYS   A HE2  1 c 2 
ATOM   2531 H HE3  . LYS   B 1 46  ? 4.846  26.839  -31.358 1 45.643 ? 58  LYS   A HE3  1 c 2 
ATOM   2532 H HZ1  . LYS   B 1 46  ? 4.532  29.406  -30.471 1 49.834 ? 58  LYS   A HZ1  1 c 2 
ATOM   2533 H HZ2  . LYS   B 1 46  ? 3.374  28.561  -30.831 1 48.823 ? 58  LYS   A HZ2  1 c 2 
ATOM   2534 H HZ3  . LYS   B 1 46  ? 4.359  28.942  -31.861 1 49.468 ? 58  LYS   A HZ3  1 c 2 
ATOM   2535 N N    . GLY   B 1 47  ? 4.601  22.06   -26.808 1 29.114 ? 59  GLY   A N    1 ? 2 
ATOM   2536 C CA   . GLY   B 1 47  ? 4.013  20.75   -26.672 1 31.529 ? 59  GLY   A CA   1 ? 2 
ATOM   2537 C C    . GLY   B 1 47  ? 2.557  20.844  -26.262 1 32.792 ? 59  GLY   A C    1 ? 2 
ATOM   2538 O O    . GLY   B 1 47  ? 2.136  21.785  -25.56  1 33.738 ? 59  GLY   A O    1 ? 2 
ATOM   2539 H H    . GLY   B 1 47  ? 4.441  22.671  -26.148 1 32.137 ? 59  GLY   A H    1 c 2 
ATOM   2540 H HA2  . GLY   B 1 47  ? 4.085  20.271  -27.528 1 29.966 ? 59  GLY   A HA2  1 c 2 
ATOM   2541 H HA3  . GLY   B 1 47  ? 4.514  20.24   -25.994 1 30.024 ? 59  GLY   A HA3  1 c 2 
ATOM   2542 N N    . LYS   B 1 48  ? 1.731  19.897  -26.723 1 27.908 ? 60  LYS   A N    1 ? 2 
ATOM   2543 C CA   . LYS   B 1 48  ? 0.348  19.84   -26.323 1 30.475 ? 60  LYS   A CA   1 ? 2 
ATOM   2544 C C    . LYS   B 1 48  ? -0.173 18.415  -26.377 1 31.274 ? 60  LYS   A C    1 ? 2 
ATOM   2545 O O    . LYS   B 1 48  ? 0.417  17.574  -27.059 1 29.086 ? 60  LYS   A O    1 ? 2 
ATOM   2546 C CB   . LYS   B 1 48  ? -0.579 20.746  -27.142 1 36.778 ? 60  LYS   A CB   1 ? 2 
ATOM   2547 C CG   . LYS   B 1 48  ? -0.451 20.554  -28.646 1 35.109 ? 60  LYS   A CG   1 ? 2 
ATOM   2548 C CD   . LYS   B 1 48  ? -1.532 21.337  -29.368 1 39.679 ? 60  LYS   A CD   1 ? 2 
ATOM   2549 C CE   . LYS   B 1 48  ? -1.452 21.14   -30.854 1 45.378 ? 60  LYS   A CE   1 ? 2 
ATOM   2550 N NZ   . LYS   B 1 48  ? -2.647 21.849  -31.463 1 50.432 ? 60  LYS   A NZ   1 ? 2 
ATOM   2551 H H    . LYS   B 1 48  ? 2.047  19.269  -27.307 1 28.3   ? 60  LYS   A H    1 c 2 
ATOM   2552 H HA   . LYS   B 1 48  ? 0.297  20.14   -25.381 1 31.958 ? 60  LYS   A HA   1 c 2 
ATOM   2553 H HB2  . LYS   B 1 48  ? -1.509 20.572  -26.882 1 36.153 ? 60  LYS   A HB2  1 c 2 
ATOM   2554 H HB3  . LYS   B 1 48  ? -0.378 21.682  -26.928 1 36.294 ? 60  LYS   A HB3  1 c 2 
ATOM   2555 H HG2  . LYS   B 1 48  ? 0.433  20.865  -28.937 1 35.418 ? 60  LYS   A HG2  1 c 2 
ATOM   2556 H HG3  . LYS   B 1 48  ? -0.537 19.599  -28.86  1 35.017 ? 60  LYS   A HG3  1 c 2 
ATOM   2557 H HD2  . LYS   B 1 48  ? -2.413 21.042  -29.05  1 40.902 ? 60  LYS   A HD2  1 c 2 
ATOM   2558 H HD3  . LYS   B 1 48  ? -1.432 22.292  -29.163 1 41.36  ? 60  LYS   A HD3  1 c 2 
ATOM   2559 H HE2  . LYS   B 1 48  ? -0.626 21.521  -31.203 1 44.271 ? 60  LYS   A HE2  1 c 2 
ATOM   2560 H HE3  . LYS   B 1 48  ? -1.485 20.192  -31.075 1 43.555 ? 60  LYS   A HE3  1 c 2 
ATOM   2561 H HZ1  . LYS   B 1 48  ? -2.635 22.725  -31.231 1 50.695 ? 60  LYS   A HZ1  1 c 2 
ATOM   2562 H HZ2  . LYS   B 1 48  ? -3.414 21.472  -31.163 1 49.975 ? 60  LYS   A HZ2  1 c 2 
ATOM   2563 H HZ3  . LYS   B 1 48  ? -2.616 21.781  -32.366 1 50.037 ? 60  LYS   A HZ3  1 c 2 
ATOM   2564 N N    . LEU   B 1 49  ? -1.269 18.191  -25.676 1 29.723 ? 61  LEU   A N    1 ? 2 
ATOM   2565 C CA   . LEU   B 1 49  ? -1.992 16.938  -25.83  1 33.06  ? 61  LEU   A CA   1 ? 2 
ATOM   2566 C C    . LEU   B 1 49  ? -2.639 17.064  -27.204 1 42.274 ? 61  LEU   A C    1 ? 2 
ATOM   2567 O O    . LEU   B 1 49  ? -2.953 18.173  -27.651 1 35.646 ? 61  LEU   A O    1 ? 2 
ATOM   2568 C CB   . LEU   B 1 49  ? -3.005 16.722  -24.714 1 35.052 ? 61  LEU   A CB   1 ? 2 
ATOM   2569 C CG   . LEU   B 1 49  ? -2.407 16.672  -23.305 1 38.163 ? 61  LEU   A CG   1 ? 2 
ATOM   2570 C CD1  . LEU   B 1 49  ? -3.459 16.42   -22.21  1 45.967 ? 61  LEU   A CD1  1 ? 2 
ATOM   2571 C CD2  . LEU   B 1 49  ? -1.285 15.663  -23.315 1 37.819 ? 61  LEU   A CD2  1 ? 2 
ATOM   2572 H H    . LEU   B 1 49  ? -1.581 18.82   -25.092 1 32.184 ? 61  LEU   A H    1 c 2 
ATOM   2573 H HA   . LEU   B 1 49  ? -1.343 16.19   -25.844 1 32.718 ? 61  LEU   A HA   1 c 2 
ATOM   2574 H HB2  . LEU   B 1 49  ? -3.664 17.453  -24.749 1 36.856 ? 61  LEU   A HB2  1 c 2 
ATOM   2575 H HB3  . LEU   B 1 49  ? -3.477 15.875  -24.885 1 35.649 ? 61  LEU   A HB3  1 c 2 
ATOM   2576 H HG   . LEU   B 1 49  ? -2.002 17.558  -23.12  1 38.93  ? 61  LEU   A HG   1 c 2 
ATOM   2577 H HD11 . LEU   B 1 49  ? -4.114 17.137  -22.218 1 45.332 ? 61  LEU   A HD11 1 c 2 
ATOM   2578 H HD12 . LEU   B 1 49  ? -3.023 16.39   -21.342 1 44.279 ? 61  LEU   A HD12 1 c 2 
ATOM   2579 H HD13 . LEU   B 1 49  ? -3.905 15.573  -22.377 1 44.092 ? 61  LEU   A HD13 1 c 2 
ATOM   2580 H HD21 . LEU   B 1 49  ? -0.478 16.076  -23.666 1 36.527 ? 61  LEU   A HD21 1 c 2 
ATOM   2581 H HD22 . LEU   B 1 49  ? -1.53  14.906  -23.875 1 36.925 ? 61  LEU   A HD22 1 c 2 
ATOM   2582 H HD23 . LEU   B 1 49  ? -1.119 15.352  -22.409 1 37.756 ? 61  LEU   A HD23 1 c 2 
ATOM   2583 N N    . SER   B 1 50  ? -2.761 15.94   -27.922 1 42.397 ? 62  SER   A N    1 ? 2 
ATOM   2584 C CA   . SER   B 1 50  ? -3.301 15.978  -29.292 1 47.711 ? 62  SER   A CA   1 ? 2 
ATOM   2585 C C    . SER   B 1 50  ? -4.633 16.75   -29.352 1 51.213 ? 62  SER   A C    1 ? 2 
ATOM   2586 O O    . SER   B 1 50  ? -4.892 17.49   -30.309 1 61.118 ? 62  SER   A O    1 ? 2 
ATOM   2587 C CB   . SER   B 1 50  ? -3.491 14.553  -29.81  1 44.256 ? 62  SER   A CB   1 ? 2 
ATOM   2588 O OG   . SER   B 1 50  ? -4.659 14.025  -29.17  1 41.738 ? 62  SER   A OG   1 ? 2 
ATOM   2589 H H    . SER   B 1 50  ? -2.51  15.138  -27.562 1 42.374 ? 62  SER   A H    1 c 2 
ATOM   2590 H HA   . SER   B 1 50  ? -2.645 16.441  -29.872 1 45.981 ? 62  SER   A HA   1 c 2 
ATOM   2591 H HB2  . SER   B 1 50  ? -3.614 14.563  -30.778 1 44.438 ? 62  SER   A HB2  1 c 2 
ATOM   2592 H HB3  . SER   B 1 50  ? -2.712 14.01   -29.59  1 42.669 ? 62  SER   A HB3  1 c 2 
ATOM   2593 H HG   . SER   B 1 50  ? -4.743 13.221  -29.476 0 30     ? 62  SER   A HG   1 c 2 
ATOM   2594 N N    . ASN   B 1 51  ? -5.455 16.48   -28.332 1 54.974 ? 63  ASN   A N    1 ? 2 
ATOM   2595 C CA   . ASN   B 1 51  ? -6.7   17.127  -27.892 1 62.313 ? 63  ASN   A CA   1 ? 2 
ATOM   2596 C C    . ASN   B 1 51  ? -6.653 18.62   -27.529 1 64.719 ? 63  ASN   A C    1 ? 2 
ATOM   2597 O O    . ASN   B 1 51  ? -7.712 19.214  -27.376 1 70.883 ? 63  ASN   A O    1 ? 2 
ATOM   2598 C CB   . ASN   B 1 51  ? -7.135 16.566  -26.538 1 55.084 ? 63  ASN   A CB   1 ? 2 
ATOM   2599 H H    . ASN   B 1 51  ? -5.197 15.759  -27.832 1 54.32  ? 63  ASN   A H    1 c 2 
ATOM   2600 H HA   . ASN   B 1 51  ? -7.413 16.957  -28.548 1 61.143 ? 63  ASN   A HA   1 c 2 
ATOM   2601 H HB2  . ASN   B 1 51  ? -6.326 16.408  -25.975 0 30     ? 63  ASN   A HB2  1 c 2 
ATOM   2602 H HB3  . ASN   B 1 51  ? -8.103 16.588  -26.446 0 30     ? 63  ASN   A HB3  1 c 2 
ATOM   2603 N N    . GLY   B 1 52  ? -5.47  19.234  -27.368 1 68.316 ? 64  GLY   A N    1 ? 2 
ATOM   2604 C CA   . GLY   B 1 52  ? -5.314 20.652  -27.043 1 60.657 ? 64  GLY   A CA   1 ? 2 
ATOM   2605 C C    . GLY   B 1 52  ? -5.888 21.049  -25.668 1 70.43  ? 64  GLY   A C    1 ? 2 
ATOM   2606 O O    . GLY   B 1 52  ? -6.53  22.09   -25.521 1 65.804 ? 64  GLY   A O    1 ? 2 
ATOM   2607 H H    . GLY   B 1 52  ? -4.711 18.736  -27.462 1 63.112 ? 64  GLY   A H    1 c 2 
ATOM   2608 H HA2  . GLY   B 1 52  ? -4.354 20.876  -27.067 1 63.268 ? 64  GLY   A HA2  1 c 2 
ATOM   2609 H HA3  . GLY   B 1 52  ? -5.76  21.185  -27.743 1 65.706 ? 64  GLY   A HA3  1 c 2 
ATOM   2610 N N    . LYS   B 1 53  ? -5.651 20.268  -24.607 1 68.469 ? 65  LYS   A N    1 ? 2 
ATOM   2611 C CA   . LYS   B 1 53  ? -6.271 20.593  -23.319 1 70.233 ? 65  LYS   A CA   1 ? 2 
ATOM   2612 C C    . LYS   B 1 53  ? -5.217 21.133  -22.327 1 64.092 ? 65  LYS   A C    1 ? 2 
ATOM   2613 O O    . LYS   B 1 53  ? -5.539 21.879  -21.393 1 58.029 ? 65  LYS   A O    1 ? 2 
ATOM   2614 C CB   . LYS   B 1 53  ? -7.163 19.406  -22.915 1 72.225 ? 65  LYS   A CB   1 ? 2 
ATOM   2615 H H    . LYS   B 1 53  ? -5.125 19.525  -24.685 1 66.7   ? 65  LYS   A H    1 c 2 
ATOM   2616 H HA   . LYS   B 1 53  ? -6.906 21.336  -23.477 1 71.233 ? 65  LYS   A HA   1 c 2 
ATOM   2617 H HB2  . LYS   B 1 53  ? -6.601 18.66   -22.654 0 30     ? 65  LYS   A HB2  1 c 2 
ATOM   2618 H HB3  . LYS   B 1 53  ? -8.114 19.683  -22.997 0 30     ? 65  LYS   A HB3  1 c 2 
ATOM   2619 N N    . LYS   B 1 54  ? -3.946 20.794  -22.59  1 47.809 ? 66  LYS   A N    1 ? 2 
ATOM   2620 C CA   . LYS   B 1 54  ? -2.769 21.187  -21.84  1 46.902 ? 66  LYS   A CA   1 ? 2 
ATOM   2621 C C    . LYS   B 1 54  ? -1.715 21.568  -22.877 1 50.141 ? 66  LYS   A C    1 ? 2 
ATOM   2622 O O    . LYS   B 1 54  ? -1.597 20.873  -23.906 1 50.037 ? 66  LYS   A O    1 ? 2 
ATOM   2623 C CB   . LYS   B 1 54  ? -2.238 19.999  -21.03  1 41.11  ? 66  LYS   A CB   1 ? 2 
ATOM   2624 H H    . LYS   B 1 54  ? -3.807 20.25   -23.31  1 49.544 ? 66  LYS   A H    1 c 2 
ATOM   2625 H HA   . LYS   B 1 54  ? -2.983 21.964  -21.262 1 48.712 ? 66  LYS   A HA   1 c 2 
ATOM   2626 H HB2  . LYS   B 1 54  ? -1.258 20.012  -21.054 0 30     ? 66  LYS   A HB2  1 c 2 
ATOM   2627 H HB3  . LYS   B 1 54  ? -3.002 19.479  -20.694 0 30     ? 66  LYS   A HB3  1 c 2 
ATOM   2628 N N    . PHE   B 1 55  ? -0.909 22.58   -22.578 1 41.4   ? 67  PHE   A N    1 ? 2 
ATOM   2629 C CA   . PHE   B 1 55  ? -0.012 23.178  -23.555 1 43.09  ? 67  PHE   A CA   1 ? 2 
ATOM   2630 C C    . PHE   B 1 55  ? 1.199  23.704  -22.814 1 42.726 ? 67  PHE   A C    1 ? 2 
ATOM   2631 O O    . PHE   B 1 55  ? 0.997  24.462  -21.868 1 51.058 ? 67  PHE   A O    1 ? 2 
ATOM   2632 C CB   . PHE   B 1 55  ? -0.79  24.316  -24.235 1 48.932 ? 67  PHE   A CB   1 ? 2 
ATOM   2633 C CG   . PHE   B 1 55  ? -0.14  24.92   -25.481 1 57.77  ? 67  PHE   A CG   1 ? 2 
ATOM   2634 C CD1  . PHE   B 1 55  ? 0.909  25.85   -25.376 1 63.223 ? 67  PHE   A CD1  1 ? 2 
ATOM   2635 C CD2  . PHE   B 1 55  ? -0.607 24.605  -26.766 1 69.355 ? 67  PHE   A CD2  1 ? 2 
ATOM   2636 C CE1  . PHE   B 1 55  ? 1.497  26.416  -26.512 1 69.139 ? 67  PHE   A CE1  1 ? 2 
ATOM   2637 C CE2  . PHE   B 1 55  ? -0.015 25.17   -27.906 1 69.265 ? 67  PHE   A CE2  1 ? 2 
ATOM   2638 C CZ   . PHE   B 1 55  ? 1.026  26.079  -27.778 1 70.613 ? 67  PHE   A CZ   1 ? 2 
ATOM   2639 H H    . PHE   B 1 55  ? -0.917 22.915  -21.728 1 45.103 ? 67  PHE   A H    1 c 2 
ATOM   2640 H HA   . PHE   B 1 55  ? 0.26   22.501  -24.226 1 41.517 ? 67  PHE   A HA   1 c 2 
ATOM   2641 H HB2  . PHE   B 1 55  ? -1.678 23.975  -24.482 1 50.202 ? 67  PHE   A HB2  1 c 2 
ATOM   2642 H HB3  . PHE   B 1 55  ? -0.927 25.032  -23.576 1 51.535 ? 67  PHE   A HB3  1 c 2 
ATOM   2643 H HD1  . PHE   B 1 55  ? 1.233  26.085  -24.521 1 63.72  ? 67  PHE   A HD1  1 c 2 
ATOM   2644 H HD2  . PHE   B 1 55  ? -1.314 23.988  -26.864 1 65.819 ? 67  PHE   A HD2  1 c 2 
ATOM   2645 H HE1  . PHE   B 1 55  ? 2.207  27.03   -26.42  1 68.714 ? 67  PHE   A HE1  1 c 2 
ATOM   2646 H HE2  . PHE   B 1 55  ? -0.335 24.939  -28.764 1 69.298 ? 67  PHE   A HE2  1 c 2 
ATOM   2647 H HZ   . PHE   B 1 55  ? 1.423  26.456  -28.547 1 70.245 ? 67  PHE   A HZ   1 c 2 
ATOM   2648 N N    . ASP   B 1 56  ? 2.389  23.406  -23.304 1 37.326 ? 68  ASP   A N    1 ? 2 
ATOM   2649 C CA   . ASP   B 1 56  ? 3.603  23.764  -22.625 1 39.082 ? 68  ASP   A CA   1 ? 2 
ATOM   2650 C C    . ASP   B 1 56  ? 4.565  24.353  -23.628 1 39.94  ? 68  ASP   A C    1 ? 2 
ATOM   2651 O O    . ASP   B 1 56  ? 4.818  23.753  -24.685 1 38.809 ? 68  ASP   A O    1 ? 2 
ATOM   2652 C CB   . ASP   B 1 56  ? 4.164  22.532  -21.964 1 35.485 ? 68  ASP   A CB   1 ? 2 
ATOM   2653 C CG   . ASP   B 1 56  ? 5.542  22.651  -21.358 1 39.779 ? 68  ASP   A CG   1 ? 2 
ATOM   2654 O OD1  . ASP   B 1 56  ? 5.825  23.655  -20.69  1 39.061 ? 68  ASP   A OD1  1 ? 2 
ATOM   2655 O OD2  . ASP   B 1 56  ? 6.239  21.643  -21.426 1 40.496 ? 68  ASP   A OD2  1 ? 2 
ATOM   2656 H H    . ASP   B 1 56  ? 2.447  22.959  -24.099 1 37.381 ? 68  ASP   A H    1 c 2 
ATOM   2657 H HA   . ASP   B 1 56  ? 3.4    24.438  -21.938 1 40.401 ? 68  ASP   A HA   1 c 2 
ATOM   2658 H HB2  . ASP   B 1 56  ? 3.548  22.258  -21.254 1 37.477 ? 68  ASP   A HB2  1 c 2 
ATOM   2659 H HB3  . ASP   B 1 56  ? 4.188  21.813  -22.63  1 35.402 ? 68  ASP   A HB3  1 c 2 
ATOM   2660 N N    . SER   B 1 57  ? 5.265  25.422  -23.266 1 41.891 ? 69  SER   A N    1 ? 2 
ATOM   2661 C CA   . SER   B 1 57  ? 6.419  25.775  -24.101 1 45.574 ? 69  SER   A CA   1 ? 2 
ATOM   2662 C C    . SER   B 1 57  ? 7.622  26.286  -23.296 1 47.233 ? 69  SER   A C    1 ? 2 
ATOM   2663 O O    . SER   B 1 57  ? 7.441  27.045  -22.327 1 46.446 ? 69  SER   A O    1 ? 2 
ATOM   2664 C CB   . SER   B 1 57  ? 6.038  26.851  -25.083 1 51.024 ? 69  SER   A CB   1 ? 2 
ATOM   2665 O OG   . SER   B 1 57  ? 5.644  27.95   -24.32  1 59.016 ? 69  SER   A OG   1 ? 2 
ATOM   2666 H H    . SER   B 1 57  ? 5.048  25.924  -22.534 1 44.157 ? 69  SER   A H    1 c 2 
ATOM   2667 H HA   . SER   B 1 57  ? 6.701  24.971  -24.605 1 43.619 ? 69  SER   A HA   1 c 2 
ATOM   2668 H HB2  . SER   B 1 57  ? 6.802  27.083  -25.644 1 51.183 ? 69  SER   A HB2  1 c 2 
ATOM   2669 H HB3  . SER   B 1 57  ? 5.299  26.547  -25.642 1 50.677 ? 69  SER   A HB3  1 c 2 
ATOM   2670 H HG   . SER   B 1 57  ? 5.399  28.564  -24.846 0 30     ? 69  SER   A HG   1 c 2 
ATOM   2671 N N    . SER   B 1 58  ? 8.807  25.998  -23.849 1 43.59  ? 70  SER   A N    1 ? 2 
ATOM   2672 C CA   . SER   B 1 58  ? 10.049 26.537  -23.316 1 47.031 ? 70  SER   A CA   1 ? 2 
ATOM   2673 C C    . SER   B 1 58  ? 10.056 28.047  -23.399 1 47.968 ? 70  SER   A C    1 ? 2 
ATOM   2674 O O    . SER   B 1 58  ? 10.586 28.734  -22.533 1 51.769 ? 70  SER   A O    1 ? 2 
ATOM   2675 C CB   . SER   B 1 58  ? 11.168 25.939  -24.046 1 42.789 ? 70  SER   A CB   1 ? 2 
ATOM   2676 O OG   . SER   B 1 58  ? 11.062 26.178  -25.447 1 43.635 ? 70  SER   A OG   1 ? 2 
ATOM   2677 H H    . SER   B 1 58  ? 8.842  25.45   -24.58  1 43.27  ? 70  SER   A H    1 c 2 
ATOM   2678 H HA   . SER   B 1 58  ? 10.118 26.277  -22.364 1 46.076 ? 70  SER   A HA   1 c 2 
ATOM   2679 H HB2  . SER   B 1 58  ? 12.006 26.315  -23.716 1 44.759 ? 70  SER   A HB2  1 c 2 
ATOM   2680 H HB3  . SER   B 1 58  ? 11.182 24.977  -23.882 1 42.183 ? 70  SER   A HB3  1 c 2 
ATOM   2681 H HG   . SER   B 1 58  ? 11.724 25.811  -25.823 0 30     ? 70  SER   A HG   1 c 2 
ATOM   2682 N N    . HIS   B 1 59  ? 9.41   28.59   -24.426 1 45.653 ? 71  HIS   A N    1 ? 2 
ATOM   2683 C CA   . HIS   B 1 59  ? 9.304  30.039  -24.571 1 52.271 ? 71  HIS   A CA   1 ? 2 
ATOM   2684 C C    . HIS   B 1 59  ? 8.567  30.641  -23.367 1 56.504 ? 71  HIS   A C    1 ? 2 
ATOM   2685 O O    . HIS   B 1 59  ? 8.799  31.792  -23.038 1 59.429 ? 71  HIS   A O    1 ? 2 
ATOM   2686 C CB   . HIS   B 1 59  ? 8.682  30.332  -25.938 1 54.341 ? 71  HIS   A CB   1 ? 2 
ATOM   2687 C CG   . HIS   B 1 59  ? 9.594  30.013  -27.093 1 59.53  ? 71  HIS   A CG   1 ? 2 
ATOM   2688 N ND1  . HIS   B 1 59  ? 10.813 30.643  -27.265 1 59.479 ? 71  HIS   A ND1  1 ? 2 
ATOM   2689 C CD2  . HIS   B 1 59  ? 9.494  29.105  -28.098 1 58.107 ? 71  HIS   A CD2  1 ? 2 
ATOM   2690 C CE1  . HIS   B 1 59  ? 11.391 30.184  -28.361 1 62.331 ? 71  HIS   A CE1  1 ? 2 
ATOM   2691 N NE2  . HIS   B 1 59  ? 10.617 29.229  -28.868 1 55.312 ? 71  HIS   A NE2  1 ? 2 
ATOM   2692 H H    . HIS   B 1 59  ? 9.034  28.052  -25.062 1 45.759 ? 71  HIS   A H    1 c 2 
ATOM   2693 H HA   . HIS   B 1 59  ? 10.224 30.4    -24.574 1 53.128 ? 71  HIS   A HA   1 c 2 
ATOM   2694 H HB2  . HIS   B 1 59  ? 7.857  29.808  -26.029 1 54.079 ? 71  HIS   A HB2  1 c 2 
ATOM   2695 H HB3  . HIS   B 1 59  ? 8.44   31.283  -25.976 1 57.58  ? 71  HIS   A HB3  1 c 2 
ATOM   2696 H HD1  . HIS   B 1 59  ? 11.149 31.253  -26.741 0 30     ? 71  HIS   A HD1  1 c 2 
ATOM   2697 H HD2  . HIS   B 1 59  ? 8.783  28.514  -28.253 1 55.973 ? 71  HIS   A HD2  1 c 2 
ATOM   2698 H HE1  . HIS   B 1 59  ? 12.231 30.452  -28.693 1 60.954 ? 71  HIS   A HE1  1 c 2 
ATOM   2699 H HE2  . HIS   B 1 59  ? 10.794 28.741  -29.585 0 30     ? 71  HIS   A HE2  1 c 2 
ATOM   2700 N N    . ASP   B 1 60  ? 7.729  29.873  -22.652 1 61.508 ? 72  ASP   A N    1 ? 2 
ATOM   2701 C CA   . ASP   B 1 60  ? 7.102  30.368  -21.418 1 64.286 ? 72  ASP   A CA   1 ? 2 
ATOM   2702 C C    . ASP   B 1 60  ? 8.137  30.761  -20.37  1 62.445 ? 72  ASP   A C    1 ? 2 
ATOM   2703 O O    . ASP   B 1 60  ? 7.82   31.504  -19.453 1 66.852 ? 72  ASP   A O    1 ? 2 
ATOM   2704 C CB   . ASP   B 1 60  ? 6.198  29.347  -20.714 1 71.573 ? 72  ASP   A CB   1 ? 2 
ATOM   2705 C CG   . ASP   B 1 60  ? 4.98   28.841  -21.489 1 75.341 ? 72  ASP   A CG   1 ? 2 
ATOM   2706 O OD1  . ASP   B 1 60  ? 4.381  29.715  -22.141 1 81.28  ? 72  ASP   A OD1  1 ? 2 
ATOM   2707 O OD2  . ASP   B 1 60  ? 4.597  27.601  -21.383 1 61.426 ? 72  ASP   A OD2  1 ? 2 
ATOM   2708 H H    . ASP   B 1 60  ? 7.522  29.032  -22.943 1 57.811 ? 72  ASP   A H    1 c 2 
ATOM   2709 H HA   . ASP   B 1 60  ? 6.563  31.161  -21.641 1 66.856 ? 72  ASP   A HA   1 c 2 
ATOM   2710 H HB2  . ASP   B 1 60  ? 6.739  28.571  -20.46  1 68.654 ? 72  ASP   A HB2  1 c 2 
ATOM   2711 H HB3  . ASP   B 1 60  ? 5.864  29.752  -19.886 1 72.287 ? 72  ASP   A HB3  1 c 2 
ATOM   2712 N N    . ARG   B 1 61  ? 9.34   30.219  -20.447 1 60.007 ? 73  ARG   A N    1 ? 2 
ATOM   2713 C CA   . ARG   B 1 61  ? 10.407 30.462  -19.485 1 64.449 ? 73  ARG   A CA   1 ? 2 
ATOM   2714 C C    . ARG   B 1 61  ? 11.515 31.256  -20.184 1 65.375 ? 73  ARG   A C    1 ? 2 
ATOM   2715 O O    . ARG   B 1 61  ? 12.555 31.533  -19.587 1 64.894 ? 73  ARG   A O    1 ? 2 
ATOM   2716 C CB   . ARG   B 1 61  ? 10.819 29.057  -18.989 1 64.828 ? 73  ARG   A CB   1 ? 2 
ATOM   2717 C CG   . ARG   B 1 61  ? 9.642  28.306  -18.358 1 65.091 ? 73  ARG   A CG   1 ? 2 
ATOM   2718 C CD   . ARG   B 1 61  ? 9.889  26.899  -17.856 1 57.567 ? 73  ARG   A CD   1 ? 2 
ATOM   2719 N NE   . ARG   B 1 61  ? 10.257 25.927  -18.909 1 55.755 ? 73  ARG   A NE   1 ? 2 
ATOM   2720 C CZ   . ARG   B 1 61  ? 9.467  25.208  -19.718 1 59.404 ? 73  ARG   A CZ   1 ? 2 
ATOM   2721 N NH1  . ARG   B 1 61  ? 8.127  25.243  -19.624 1 56.099 ? 73  ARG   A NH1  1 ? 2 
ATOM   2722 N NH2  . ARG   B 1 61  ? 10.097 24.426  -20.596 1 51.595 ? 73  ARG   A NH2  1 ? 2 
ATOM   2723 H H    . ARG   B 1 61  ? 9.503  29.62   -21.118 1 58.725 ? 73  ARG   A H    1 c 2 
ATOM   2724 H HA   . ARG   B 1 61  ? 10.049 30.994  -18.729 1 66.569 ? 73  ARG   A HA   1 c 2 
ATOM   2725 H HB2  . ARG   B 1 61  ? 11.166 28.536  -19.744 1 62.383 ? 73  ARG   A HB2  1 c 2 
ATOM   2726 H HB3  . ARG   B 1 61  ? 11.537 29.146  -18.326 1 65.65  ? 73  ARG   A HB3  1 c 2 
ATOM   2727 H HG2  . ARG   B 1 61  ? 9.305  28.842  -17.607 1 65.705 ? 73  ARG   A HG2  1 c 2 
ATOM   2728 H HG3  . ARG   B 1 61  ? 8.914  28.269  -19.015 1 62.466 ? 73  ARG   A HG3  1 c 2 
ATOM   2729 H HD2  . ARG   B 1 61  ? 10.606 26.93   -17.189 1 60.253 ? 73  ARG   A HD2  1 c 2 
ATOM   2730 H HD3  . ARG   B 1 61  ? 9.08   26.585  -17.404 1 59.157 ? 73  ARG   A HD3  1 c 2 
ATOM   2731 H HE   . ARG   B 1 61  ? 11.112 25.802  -19.02  1 56.519 ? 73  ARG   A HE   1 c 2 
ATOM   2732 H HH11 . ARG   B 1 61  ? 7.725  25.952  -19.281 1 58.773 ? 73  ARG   A HH11 1 c 2 
ATOM   2733 H HH12 . ARG   B 1 61  ? 7.651  24.554  -19.908 1 55.726 ? 73  ARG   A HH12 1 c 2 
ATOM   2734 H HH21 . ARG   B 1 61  ? 10.942 24.194  -20.464 1 53.115 ? 73  ARG   A HH21 1 c 2 
ATOM   2735 H HH22 . ARG   B 1 61  ? 9.663  24.137  -21.31  1 51.94  ? 73  ARG   A HH22 1 c 2 
ATOM   2736 N N    . ASN   B 1 62  ? 11.272 31.577  -21.476 1 61.072 ? 74  ASN   A N    1 ? 2 
ATOM   2737 C CA   . ASN   B 1 62  ? 12.169 32.303  -22.385 1 61.991 ? 74  ASN   A CA   1 ? 2 
ATOM   2738 C C    . ASN   B 1 62  ? 13.609 31.805  -22.246 1 57.573 ? 74  ASN   A C    1 ? 2 
ATOM   2739 O O    . ASN   B 1 62  ? 14.549 32.591  -22.304 1 64.063 ? 74  ASN   A O    1 ? 2 
ATOM   2740 C CB   . ASN   B 1 62  ? 11.968 33.819  -22.248 1 70.597 ? 74  ASN   A CB   1 ? 2 
ATOM   2741 C CG   . ASN   B 1 62  ? 12.477 34.656  -23.416 1 68.192 ? 74  ASN   A CG   1 ? 2 
ATOM   2742 O OD1  . ASN   B 1 62  ? 12.152 34.401  -24.581 1 66.395 ? 74  ASN   A OD1  1 ? 2 
ATOM   2743 N ND2  . ASN   B 1 62  ? 13.276 35.663  -23.138 1 66.292 ? 74  ASN   A ND2  1 ? 2 
ATOM   2744 H H    . ASN   B 1 62  ? 10.464 31.328  -21.818 1 60.838 ? 74  ASN   A H    1 c 2 
ATOM   2745 H HA   . ASN   B 1 62  ? 11.886 32.073  -23.298 1 60.674 ? 74  ASN   A HA   1 c 2 
ATOM   2746 H HB2  . ASN   B 1 62  ? 11.012 33.995  -22.136 1 69.059 ? 74  ASN   A HB2  1 c 2 
ATOM   2747 H HB3  . ASN   B 1 62  ? 12.417 34.118  -21.432 1 70.225 ? 74  ASN   A HB3  1 c 2 
ATOM   2748 H HD21 . ASN   B 1 62  ? 13.701 36.082  -23.794 1 68.835 ? 74  ASN   A HD21 1 c 2 
ATOM   2749 H HD22 . ASN   B 1 62  ? 13.388 35.927  -22.299 1 69.465 ? 74  ASN   A HD22 1 c 2 
ATOM   2750 N N    . GLU   B 1 63  ? 13.779 30.493  -22.049 1 53.402 ? 75  GLU   A N    1 ? 2 
ATOM   2751 C CA   . GLU   B 1 63  ? 15.103 29.898  -21.862 1 55.391 ? 75  GLU   A CA   1 ? 2 
ATOM   2752 C C    . GLU   B 1 63  ? 15.104 28.516  -22.513 1 50.05  ? 75  GLU   A C    1 ? 2 
ATOM   2753 O O    . GLU   B 1 63  ? 14.076 27.824  -22.558 1 42.393 ? 75  GLU   A O    1 ? 2 
ATOM   2754 C CB   . GLU   B 1 63  ? 15.606 29.616  -20.438 1 56.509 ? 75  GLU   A CB   1 ? 2 
ATOM   2755 C CG   . GLU   B 1 63  ? 16.145 30.853  -19.723 1 66.29  ? 75  GLU   A CG   1 ? 2 
ATOM   2756 C CD   . GLU   B 1 63  ? 17.179 31.72   -20.442 1 72.874 ? 75  GLU   A CD   1 ? 2 
ATOM   2757 O OE1  . GLU   B 1 63  ? 16.907 32.943  -20.416 1 74.572 ? 75  GLU   A OE1  1 ? 2 
ATOM   2758 O OE2  . GLU   B 1 63  ? 18.229 31.269  -20.993 1 75.642 ? 75  GLU   A OE2  1 ? 2 
ATOM   2759 H H    . GLU   B 1 63  ? 13.049 29.943  -22.046 1 52.786 ? 75  GLU   A H    1 c 2 
ATOM   2760 H HA   . GLU   B 1 63  ? 15.763 30.466  -22.328 1 55.86  ? 75  GLU   A HA   1 c 2 
ATOM   2761 H HB2  . GLU   B 1 63  ? 14.87  29.239  -19.912 1 57.107 ? 75  GLU   A HB2  1 c 2 
ATOM   2762 H HB3  . GLU   B 1 63  ? 16.319 28.944  -20.478 1 56.685 ? 75  GLU   A HB3  1 c 2 
ATOM   2763 H HG2  . GLU   B 1 63  ? 15.383 31.427  -19.492 1 67.052 ? 75  GLU   A HG2  1 c 2 
ATOM   2764 H HG3  . GLU   B 1 63  ? 16.54  30.565  -18.872 1 66.573 ? 75  GLU   A HG3  1 c 2 
ATOM   2765 N N    . PRO   B 1 64  ? 16.257 28.056  -23.053 1 49.296 ? 76  PRO   A N    1 ? 2 
ATOM   2766 C CA   . PRO   B 1 64  ? 16.279 26.745  -23.683 1 44.149 ? 76  PRO   A CA   1 ? 2 
ATOM   2767 C C    . PRO   B 1 64  ? 15.98  25.629  -22.676 1 42.96  ? 76  PRO   A C    1 ? 2 
ATOM   2768 O O    . PRO   B 1 64  ? 16.308 25.737  -21.505 1 43.623 ? 76  PRO   A O    1 ? 2 
ATOM   2769 C CB   . PRO   B 1 64  ? 17.643 26.604  -24.306 1 47.966 ? 76  PRO   A CB   1 ? 2 
ATOM   2770 C CG   . PRO   B 1 64  ? 18.233 27.99   -24.313 1 54.552 ? 76  PRO   A CG   1 ? 2 
ATOM   2771 C CD   . PRO   B 1 64  ? 17.541 28.756  -23.157 1 53.694 ? 76  PRO   A CD   1 ? 2 
ATOM   2772 H HA   . PRO   B 1 64  ? 15.596 26.734  -24.399 1 44.206 ? 76  PRO   A HA   1 c 2 
ATOM   2773 H HB2  . PRO   B 1 64  ? 18.207 25.989  -23.779 1 47.646 ? 76  PRO   A HB2  1 c 2 
ATOM   2774 H HB3  . PRO   B 1 64  ? 17.572 26.252  -25.223 1 46.655 ? 76  PRO   A HB3  1 c 2 
ATOM   2775 H HG2  . PRO   B 1 64  ? 19.201 27.953  -24.169 1 54.033 ? 76  PRO   A HG2  1 c 2 
ATOM   2776 H HG3  . PRO   B 1 64  ? 18.061 28.432  -25.17  1 53.325 ? 76  PRO   A HG3  1 c 2 
ATOM   2777 H HD2  . PRO   B 1 64  ? 18.057 28.684  -22.324 1 54.748 ? 76  PRO   A HD2  1 c 2 
ATOM   2778 H HD3  . PRO   B 1 64  ? 17.419 29.703  -23.387 1 55.466 ? 76  PRO   A HD3  1 c 2 
ATOM   2779 N N    . PHE   B 1 65  ? 15.395 24.537  -23.183 1 38.243 ? 77  PHE   A N    1 ? 2 
ATOM   2780 C CA   . PHE   B 1 65  ? 15.205 23.31   -22.415 1 38.364 ? 77  PHE   A CA   1 ? 2 
ATOM   2781 C C    . PHE   B 1 65  ? 16.438 22.432  -22.704 1 39.943 ? 77  PHE   A C    1 ? 2 
ATOM   2782 O O    . PHE   B 1 65  ? 16.766 22.223  -23.865 1 36.477 ? 77  PHE   A O    1 ? 2 
ATOM   2783 C CB   . PHE   B 1 65  ? 13.973 22.548  -22.862 1 36.546 ? 77  PHE   A CB   1 ? 2 
ATOM   2784 C CG   . PHE   B 1 65  ? 13.726 21.231  -22.158 1 32.287 ? 77  PHE   A CG   1 ? 2 
ATOM   2785 C CD1  . PHE   B 1 65  ? 13.342 21.195  -20.837 1 40.129 ? 77  PHE   A CD1  1 ? 2 
ATOM   2786 C CD2  . PHE   B 1 65  ? 13.936 20.016  -22.79  1 32.879 ? 77  PHE   A CD2  1 ? 2 
ATOM   2787 C CE1  . PHE   B 1 65  ? 13.145 19.992  -20.173 1 40.917 ? 77  PHE   A CE1  1 ? 2 
ATOM   2788 C CE2  . PHE   B 1 65  ? 13.748 18.806  -22.121 1 33.839 ? 77  PHE   A CE2  1 ? 2 
ATOM   2789 C CZ   . PHE   B 1 65  ? 13.338 18.778  -20.838 1 38.187 ? 77  PHE   A CZ   1 ? 2 
ATOM   2790 H H    . PHE   B 1 65  ? 15.101 24.556  -24.048 1 38.28  ? 77  PHE   A H    1 c 2 
ATOM   2791 H HA   . PHE   B 1 65  ? 15.148 23.516  -21.445 1 39.702 ? 77  PHE   A HA   1 c 2 
ATOM   2792 H HB2  . PHE   B 1 65  ? 13.19  23.127  -22.727 1 36.184 ? 77  PHE   A HB2  1 c 2 
ATOM   2793 H HB3  . PHE   B 1 65  ? 14.049 22.378  -23.827 1 34.789 ? 77  PHE   A HB3  1 c 2 
ATOM   2794 H HD1  . PHE   B 1 65  ? 13.2   22.006  -20.377 1 39.942 ? 77  PHE   A HD1  1 c 2 
ATOM   2795 H HD2  . PHE   B 1 65  ? 14.216 20.009  -23.691 1 32.18  ? 77  PHE   A HD2  1 c 2 
ATOM   2796 H HE1  . PHE   B 1 65  ? 12.863 19.995  -19.272 1 41.255 ? 77  PHE   A HE1  1 c 2 
ATOM   2797 H HE2  . PHE   B 1 65  ? 13.879 17.995  -22.585 1 33.357 ? 77  PHE   A HE2  1 c 2 
ATOM   2798 H HZ   . PHE   B 1 65  ? 13.207 17.957  -20.391 1 37.458 ? 77  PHE   A HZ   1 c 2 
ATOM   2799 N N    . VAL   B 1 66  ? 17.112 21.939  -21.662 1 40.086 ? 78  VAL   A N    1 ? 2 
ATOM   2800 C CA   . VAL   B 1 66  ? 18.385 21.228  -21.866 1 38.687 ? 78  VAL   A CA   1 ? 2 
ATOM   2801 C C    . VAL   B 1 66  ? 18.197 19.81   -21.366 1 38.684 ? 78  VAL   A C    1 ? 2 
ATOM   2802 O O    . VAL   B 1 66  ? 17.568 19.61   -20.351 1 36.914 ? 78  VAL   A O    1 ? 2 
ATOM   2803 C CB   . VAL   B 1 66  ? 19.496 21.98   -21.121 1 44.038 ? 78  VAL   A CB   1 ? 2 
ATOM   2804 C CG1  . VAL   B 1 66  ? 20.782 21.161  -21.076 1 44.84  ? 78  VAL   A CG1  1 ? 2 
ATOM   2805 C CG2  . VAL   B 1 66  ? 19.678 23.372  -21.74  1 48.185 ? 78  VAL   A CG2  1 ? 2 
ATOM   2806 H H    . VAL   B 1 66  ? 16.785 22.039  -20.814 1 40.665 ? 78  VAL   A H    1 c 2 
ATOM   2807 H HA   . VAL   B 1 66  ? 18.594 21.209  -22.816 1 38.894 ? 78  VAL   A HA   1 c 2 
ATOM   2808 H HB   . VAL   B 1 66  ? 19.188 22.104  -20.192 1 44.969 ? 78  VAL   A HB   1 c 2 
ATOM   2809 H HG11 . VAL   B 1 66  ? 20.928 20.737  -21.938 1 43.664 ? 78  VAL   A HG11 1 c 2 
ATOM   2810 H HG12 . VAL   B 1 66  ? 20.711 20.479  -20.387 1 44.942 ? 78  VAL   A HG12 1 c 2 
ATOM   2811 H HG13 . VAL   B 1 66  ? 21.53  21.747  -20.872 1 46.681 ? 78  VAL   A HG13 1 c 2 
ATOM   2812 H HG21 . VAL   B 1 66  ? 20.508 23.764  -21.42  1 49.048 ? 78  VAL   A HG21 1 c 2 
ATOM   2813 H HG22 . VAL   B 1 66  ? 18.932 23.941  -21.485 1 47.484 ? 78  VAL   A HG22 1 c 2 
ATOM   2814 H HG23 . VAL   B 1 66  ? 19.709 23.295  -22.708 1 46.207 ? 78  VAL   A HG23 1 c 2 
ATOM   2815 N N    . PHE   B 1 67  ? 18.767 18.81   -22.081 1 35.869 ? 79  PHE   A N    1 ? 2 
ATOM   2816 C CA   . PHE   B 1 67  ? 18.712 17.432  -21.58  1 36.53  ? 79  PHE   A CA   1 ? 2 
ATOM   2817 C C    . PHE   B 1 67  ? 19.794 16.61   -22.287 1 35.069 ? 79  PHE   A C    1 ? 2 
ATOM   2818 O O    . PHE   B 1 67  ? 20.391 17.077  -23.266 1 34.58  ? 79  PHE   A O    1 ? 2 
ATOM   2819 C CB   . PHE   B 1 67  ? 17.363 16.735  -21.782 1 36.591 ? 79  PHE   A CB   1 ? 2 
ATOM   2820 C CG   . PHE   B 1 67  ? 17.014 16.393  -23.222 1 35.333 ? 79  PHE   A CG   1 ? 2 
ATOM   2821 C CD1  . PHE   B 1 67  ? 16.638 17.384  -24.111 1 39.418 ? 79  PHE   A CD1  1 ? 2 
ATOM   2822 C CD2  . PHE   B 1 67  ? 17.138 15.093  -23.717 1 34.104 ? 79  PHE   A CD2  1 ? 2 
ATOM   2823 C CE1  . PHE   B 1 67  ? 16.304 17.08   -25.413 1 35.34  ? 79  PHE   A CE1  1 ? 2 
ATOM   2824 C CE2  . PHE   B 1 67  ? 16.783 14.799  -25.014 1 34.11  ? 79  PHE   A CE2  1 ? 2 
ATOM   2825 C CZ   . PHE   B 1 67  ? 16.409 15.78   -25.866 1 30.942 ? 79  PHE   A CZ   1 ? 2 
ATOM   2826 H H    . PHE   B 1 67  ? 19.185 18.986  -22.875 1 36.338 ? 79  PHE   A H    1 c 2 
ATOM   2827 H HA   . PHE   B 1 67  ? 18.915 17.445  -20.606 1 37.695 ? 79  PHE   A HA   1 c 2 
ATOM   2828 H HB2  . PHE   B 1 67  ? 17.362 15.907  -21.253 1 36.563 ? 79  PHE   A HB2  1 c 2 
ATOM   2829 H HB3  . PHE   B 1 67  ? 16.658 17.316  -21.418 1 36.244 ? 79  PHE   A HB3  1 c 2 
ATOM   2830 H HD1  . PHE   B 1 67  ? 16.556 18.273  -23.806 1 38.115 ? 79  PHE   A HD1  1 c 2 
ATOM   2831 H HD2  . PHE   B 1 67  ? 17.388 14.396  -23.132 1 35.189 ? 79  PHE   A HD2  1 c 2 
ATOM   2832 H HE1  . PHE   B 1 67  ? 16.035 17.766  -26.003 1 34.832 ? 79  PHE   A HE1  1 c 2 
ATOM   2833 H HE2  . PHE   B 1 67  ? 16.862 13.912  -25.328 1 33.057 ? 79  PHE   A HE2  1 c 2 
ATOM   2834 H HZ   . PHE   B 1 67  ? 16.192 15.572  -26.761 1 31.841 ? 79  PHE   A HZ   1 c 2 
ATOM   2835 N N    . SER   B 1 68  ? 20.143 15.492  -21.657 1 36.682 ? 80  SER   A N    1 ? 2 
ATOM   2836 C CA   . SER   B 1 68  ? 21.176 14.589  -22.163 1 36.302 ? 80  SER   A CA   1 ? 2 
ATOM   2837 C C    . SER   B 1 68  ? 20.464 13.513  -22.99  1 33.278 ? 80  SER   A C    1 ? 2 
ATOM   2838 O O    . SER   B 1 68  ? 19.615 12.807  -22.498 1 34.145 ? 80  SER   A O    1 ? 2 
ATOM   2839 C CB   . SER   B 1 68  ? 22.005 13.913  -21.095 1 36.48  ? 80  SER   A CB   1 ? 2 
ATOM   2840 O OG   . SER   B 1 68  ? 22.595 14.877  -20.281 1 42.155 ? 80  SER   A OG   1 ? 2 
ATOM   2841 H H    . SER   B 1 68  ? 19.722 15.276  -20.875 1 36.628 ? 80  SER   A H    1 c 2 
ATOM   2842 H HA   . SER   B 1 68  ? 21.779 15.1    -22.757 1 36.1   ? 80  SER   A HA   1 c 2 
ATOM   2843 H HB2  . SER   B 1 68  ? 21.434 13.333  -20.556 1 37.778 ? 80  SER   A HB2  1 c 2 
ATOM   2844 H HB3  . SER   B 1 68  ? 22.697 13.368  -21.514 1 38.414 ? 80  SER   A HB3  1 c 2 
ATOM   2845 H HG   . SER   B 1 68  ? 23.05  14.478  -19.684 0 30     ? 80  SER   A HG   1 c 2 
ATOM   2846 N N    . LEU   B 1 69  ? 20.847 13.363  -24.247 1 33.918 ? 81  LEU   A N    1 ? 2 
ATOM   2847 C CA   . LEU   B 1 69  ? 20.116 12.514  -25.154 1 32.665 ? 81  LEU   A CA   1 ? 2 
ATOM   2848 C C    . LEU   B 1 69  ? 20.327 11.032  -24.85  1 31.207 ? 81  LEU   A C    1 ? 2 
ATOM   2849 O O    . LEU   B 1 69  ? 21.443 10.529  -24.505 1 38.161 ? 81  LEU   A O    1 ? 2 
ATOM   2850 C CB   . LEU   B 1 69  ? 20.617 12.843  -26.558 1 36.418 ? 81  LEU   A CB   1 ? 2 
ATOM   2851 C CG   . LEU   B 1 69  ? 19.863 12.105  -27.679 1 36.356 ? 81  LEU   A CG   1 ? 2 
ATOM   2852 C CD1  . LEU   B 1 69  ? 18.478 12.683  -27.924 1 34.106 ? 81  LEU   A CD1  1 ? 2 
ATOM   2853 C CD2  . LEU   B 1 69  ? 20.733 12.088  -28.965 1 42.698 ? 81  LEU   A CD2  1 ? 2 
ATOM   2854 H H    . LEU   B 1 69  ? 21.59  13.801  -24.549 1 34.445 ? 81  LEU   A H    1 c 2 
ATOM   2855 H HA   . LEU   B 1 69  ? 19.152 12.734  -25.088 1 31.708 ? 81  LEU   A HA   1 c 2 
ATOM   2856 H HB2  . LEU   B 1 69  ? 20.524 13.813  -26.703 1 35.388 ? 81  LEU   A HB2  1 c 2 
ATOM   2857 H HB3  . LEU   B 1 69  ? 21.572 12.607  -26.611 1 36.993 ? 81  LEU   A HB3  1 c 2 
ATOM   2858 H HG   . LEU   B 1 69  ? 19.742 11.163  -27.396 1 37.16  ? 81  LEU   A HG   1 c 2 
ATOM   2859 H HD11 . LEU   B 1 69  ? 17.94  12.591  -27.12  1 33.913 ? 81  LEU   A HD11 1 c 2 
ATOM   2860 H HD12 . LEU   B 1 69  ? 18.051 12.206  -28.655 1 33.822 ? 81  LEU   A HD12 1 c 2 
ATOM   2861 H HD13 . LEU   B 1 69  ? 18.555 13.625  -28.154 1 34.173 ? 81  LEU   A HD13 1 c 2 
ATOM   2862 H HD21 . LEU   B 1 69  ? 21.63  11.791  -28.748 1 42.05  ? 81  LEU   A HD21 1 c 2 
ATOM   2863 H HD22 . LEU   B 1 69  ? 20.77  12.982  -29.341 1 40.669 ? 81  LEU   A HD22 1 c 2 
ATOM   2864 H HD23 . LEU   B 1 69  ? 20.341 11.481  -29.615 1 40.574 ? 81  LEU   A HD23 1 c 2 
ATOM   2865 N N    . GLY   B 1 70  ? 19.208 10.339  -24.894 1 33.324 ? 82  GLY   A N    1 ? 2 
ATOM   2866 C CA   . GLY   B 1 70  ? 19.177 8.892   -24.915 1 40.533 ? 82  GLY   A CA   1 ? 2 
ATOM   2867 C C    . GLY   B 1 70  ? 19.405 8.293   -23.541 1 45.454 ? 82  GLY   A C    1 ? 2 
ATOM   2868 O O    . GLY   B 1 70  ? 19.839 7.144   -23.483 1 50.548 ? 82  GLY   A O    1 ? 2 
ATOM   2869 H H    . GLY   B 1 70  ? 18.413 10.789  -24.908 1 32.63  ? 82  GLY   A H    1 c 2 
ATOM   2870 H HA2  . GLY   B 1 70  ? 18.305 8.593   -25.262 1 38.447 ? 82  GLY   A HA2  1 c 2 
ATOM   2871 H HA3  . GLY   B 1 70  ? 19.873 8.566   -25.532 1 40.066 ? 82  GLY   A HA3  1 c 2 
ATOM   2872 N N    . LYS   B 1 71  ? 19.18  9.11    -22.49  1 39.041 ? 83  LYS   A N    1 ? 2 
ATOM   2873 C CA   . LYS   B 1 71  ? 19.305 8.729   -21.096 1 42.018 ? 83  LYS   A CA   1 ? 2 
ATOM   2874 C C    . LYS   B 1 71  ? 17.894 8.531   -20.491 1 46.094 ? 83  LYS   A C    1 ? 2 
ATOM   2875 O O    . LYS   B 1 71  ? 17.744 8.14    -19.344 1 45.477 ? 83  LYS   A O    1 ? 2 
ATOM   2876 C CB   . LYS   B 1 71  ? 20.269 9.686   -20.357 1 39.113 ? 83  LYS   A CB   1 ? 2 
ATOM   2877 H H    . LYS   B 1 71  ? 18.913 9.965   -22.667 1 39.527 ? 83  LYS   A H    1 c 2 
ATOM   2878 H HA   . LYS   B 1 71  ? 19.75  7.844   -21.073 1 43.102 ? 83  LYS   A HA   1 c 2 
ATOM   2879 H HB2  . LYS   B 1 71  ? 21.197 9.413   -20.567 0 30     ? 83  LYS   A HB2  1 c 2 
ATOM   2880 H HB3  . LYS   B 1 71  ? 19.753 10.336  -19.847 0 30     ? 83  LYS   A HB3  1 c 2 
ATOM   2881 N N    . GLY   B 1 72  ? 16.83  8.568   -21.289 1 44.938 ? 84  GLY   A N    1 ? 2 
ATOM   2882 C CA   . GLY   B 1 72  ? 15.466 8.481   -20.758 1 46.424 ? 84  GLY   A CA   1 ? 2 
ATOM   2883 C C    . GLY   B 1 72  ? 15.071 9.612   -19.777 1 50.979 ? 84  GLY   A C    1 ? 2 
ATOM   2884 O O    . GLY   B 1 72  ? 14.095 9.404   -19.038 1 41.701 ? 84  GLY   A O    1 ? 2 
ATOM   2885 H H    . GLY   B 1 72  ? 16.944 8.646   -22.192 1 44.186 ? 84  GLY   A H    1 c 2 
ATOM   2886 H HA2  . GLY   B 1 72  ? 14.838 8.487   -21.518 1 45.48  ? 84  GLY   A HA2  1 c 2 
ATOM   2887 H HA3  . GLY   B 1 72  ? 15.365 7.613   -20.301 1 47.997 ? 84  GLY   A HA3  1 c 2 
ATOM   2888 N N    . GLN   B 1 73  ? 15.767 10.79   -19.839 1 44.547 ? 85  GLN   A N    1 ? 2 
ATOM   2889 C CA   . GLN   B 1 73  ? 15.451 11.992  -19.067 1 42.863 ? 85  GLN   A CA   1 ? 2 
ATOM   2890 C C    . GLN   B 1 73  ? 14.161 12.634  -19.616 1 38.133 ? 85  GLN   A C    1 ? 2 
ATOM   2891 O O    . GLN   B 1 73  ? 13.51  13.471  -18.966 1 33.703 ? 85  GLN   A O    1 ? 2 
ATOM   2892 C CB   . GLN   B 1 73  ? 16.544 13.062  -19.186 1 45.067 ? 85  GLN   A CB   1 ? 2 
ATOM   2893 C CG   . GLN   B 1 73  ? 17.83  12.746  -18.434 1 44.494 ? 85  GLN   A CG   1 ? 2 
ATOM   2894 C CD   . GLN   B 1 73  ? 18.956 13.709  -18.697 1 44.918 ? 85  GLN   A CD   1 ? 2 
ATOM   2895 O OE1  . GLN   B 1 73  ? 18.842 14.794  -19.293 1 41.322 ? 85  GLN   A OE1  1 ? 2 
ATOM   2896 N NE2  . GLN   B 1 73  ? 20.098 13.339  -18.146 1 53.984 ? 85  GLN   A NE2  1 ? 2 
ATOM   2897 H H    . GLN   B 1 73  ? 16.477 10.833  -20.412 1 45.276 ? 85  GLN   A H    1 c 2 
ATOM   2898 H HA   . GLN   B 1 73  ? 15.317 11.741  -18.118 1 44.344 ? 85  GLN   A HA   1 c 2 
ATOM   2899 H HB2  . GLN   B 1 73  ? 16.756 13.185  -20.134 1 42.895 ? 85  GLN   A HB2  1 c 2 
ATOM   2900 H HB3  . GLN   B 1 73  ? 16.187 13.911  -18.851 1 44.006 ? 85  GLN   A HB3  1 c 2 
ATOM   2901 H HG2  . GLN   B 1 73  ? 17.645 12.742  -17.471 1 46.407 ? 85  GLN   A HG2  1 c 2 
ATOM   2902 H HG3  . GLN   B 1 73  ? 18.13  11.845  -18.68  1 45.281 ? 85  GLN   A HG3  1 c 2 
ATOM   2903 H HE21 . GLN   B 1 73  ? 20.833 13.813  -18.293 1 52.186 ? 85  GLN   A HE21 1 c 2 
ATOM   2904 H HE22 . GLN   B 1 73  ? 20.131 12.619  -17.629 1 52.616 ? 85  GLN   A HE22 1 c 2 
ATOM   2905 N N    . VAL   B 1 74  ? 13.839 12.267  -20.849 1 30.534 ? 86  VAL   A N    1 ? 2 
ATOM   2906 C CA   . VAL   B 1 74  ? 12.616 12.694  -21.54  1 30.364 ? 86  VAL   A CA   1 ? 2 
ATOM   2907 C C    . VAL   B 1 74  ? 11.918 11.432  -22.05  1 28.208 ? 86  VAL   A C    1 ? 2 
ATOM   2908 O O    . VAL   B 1 74  ? 12.528 10.371  -21.983 1 30.253 ? 86  VAL   A O    1 ? 2 
ATOM   2909 C CB   . VAL   B 1 74  ? 13.021 13.626  -22.681 1 30.729 ? 86  VAL   A CB   1 ? 2 
ATOM   2910 C CG1  . VAL   B 1 74  ? 13.471 14.983  -22.166 1 34.406 ? 86  VAL   A CG1  1 ? 2 
ATOM   2911 C CG2  . VAL   B 1 74  ? 14.009 12.917  -23.622 1 32.333 ? 86  VAL   A CG2  1 ? 2 
ATOM   2912 H H    . VAL   B 1 74  ? 14.413 11.72   -21.301 1 32.331 ? 86  VAL   A H    1 c 2 
ATOM   2913 H HA   . VAL   B 1 74  ? 12.031 13.167  -20.917 1 30.414 ? 86  VAL   A HA   1 c 2 
ATOM   2914 H HB   . VAL   B 1 74  ? 12.205 13.788  -23.21  1 30.469 ? 86  VAL   A HB   1 c 2 
ATOM   2915 H HG11 . VAL   B 1 74  ? 14.246 14.871  -21.589 1 34.5   ? 86  VAL   A HG11 1 c 2 
ATOM   2916 H HG12 . VAL   B 1 74  ? 12.75  15.395  -21.661 1 33.729 ? 86  VAL   A HG12 1 c 2 
ATOM   2917 H HG13 . VAL   B 1 74  ? 13.707 15.553  -22.917 1 33.089 ? 86  VAL   A HG13 1 c 2 
ATOM   2918 H HG21 . VAL   B 1 74  ? 14.097 13.429  -24.443 1 31.201 ? 86  VAL   A HG21 1 c 2 
ATOM   2919 H HG22 . VAL   B 1 74  ? 13.683 12.027  -23.832 1 31.572 ? 86  VAL   A HG22 1 c 2 
ATOM   2920 H HG23 . VAL   B 1 74  ? 14.878 12.85   -23.192 1 32.661 ? 86  VAL   A HG23 1 c 2 
ATOM   2921 N N    . ILE   B 1 75  ? 10.688 11.539  -22.579 1 26.062 ? 87  ILE   A N    1 ? 2 
ATOM   2922 C CA   . ILE   B 1 75  ? 9.976  10.413  -23.162 1 25.98  ? 87  ILE   A CA   1 ? 2 
ATOM   2923 C C    . ILE   B 1 75  ? 10.771 9.85    -24.351 1 23.205 ? 87  ILE   A C    1 ? 2 
ATOM   2924 O O    . ILE   B 1 75  ? 11.613 10.585  -24.962 1 27.402 ? 87  ILE   A O    1 ? 2 
ATOM   2925 C CB   . ILE   B 1 75  ? 8.53   10.815  -23.552 1 26.894 ? 87  ILE   A CB   1 ? 2 
ATOM   2926 C CG1  . ILE   B 1 75  ? 8.54   12.06   -24.502 1 29.615 ? 87  ILE   A CG1  1 ? 2 
ATOM   2927 C CG2  . ILE   B 1 75  ? 7.675  11.08   -22.312 1 28.518 ? 87  ILE   A CG2  1 ? 2 
ATOM   2928 C CD1  . ILE   B 1 75  ? 7.172  12.423  -25.129 1 28.526 ? 87  ILE   A CD1  1 ? 2 
ATOM   2929 H H    . ILE   B 1 75  ? 10.276 12.354  -22.557 1 26.197 ? 87  ILE   A H    1 c 2 
ATOM   2930 H HA   . ILE   B 1 75  ? 9.917  9.715   -22.481 1 26.658 ? 87  ILE   A HA   1 c 2 
ATOM   2931 H HB   . ILE   B 1 75  ? 8.134  10.068  -24.041 1 27.311 ? 87  ILE   A HB   1 c 2 
ATOM   2932 H HG12 . ILE   B 1 75  ? 8.861  12.835  -23.997 1 28.725 ? 87  ILE   A HG12 1 c 2 
ATOM   2933 H HG13 . ILE   B 1 75  ? 9.178  11.895  -25.225 1 28.199 ? 87  ILE   A HG13 1 c 2 
ATOM   2934 H HG21 . ILE   B 1 75  ? 6.748  11.204  -22.575 1 28.119 ? 87  ILE   A HG21 1 c 2 
ATOM   2935 H HG22 . ILE   B 1 75  ? 7.992  11.881  -21.862 1 28.5   ? 87  ILE   A HG22 1 c 2 
ATOM   2936 H HG23 . ILE   B 1 75  ? 7.738  10.323  -21.705 1 29.132 ? 87  ILE   A HG23 1 c 2 
ATOM   2937 H HD11 . ILE   B 1 75  ? 6.81   11.646  -25.596 1 28.698 ? 87  ILE   A HD11 1 c 2 
ATOM   2938 H HD12 . ILE   B 1 75  ? 7.287  13.157  -25.762 1 28.393 ? 87  ILE   A HD12 1 c 2 
ATOM   2939 H HD13 . ILE   B 1 75  ? 6.552  12.696  -24.426 1 29.141 ? 87  ILE   A HD13 1 c 2 
ATOM   2940 N N    . LYS   B 1 76  ? 10.539 8.563   -24.607 1 26.839 ? 88  LYS   A N    1 ? 2 
ATOM   2941 C CA   . LYS   B 1 76  ? 11.263 7.761   -25.584 1 28.582 ? 88  LYS   A CA   1 ? 2 
ATOM   2942 C C    . LYS   B 1 76  ? 11.167 8.475   -26.927 1 27.041 ? 88  LYS   A C    1 ? 2 
ATOM   2943 O O    . LYS   B 1 76  ? 12.171 8.558   -27.651 1 29.202 ? 88  LYS   A O    1 ? 2 
ATOM   2944 C CB   . LYS   B 1 76  ? 10.773 6.307   -25.629 1 32.664 ? 88  LYS   A CB   1 ? 2 
ATOM   2945 H H    . LYS   B 1 76  ? 9.871  8.154   -24.136 1 26.797 ? 88  LYS   A H    1 c 2 
ATOM   2946 H HA   . LYS   B 1 76  ? 12.216 7.746   -25.315 1 29.24  ? 88  LYS   A HA   1 c 2 
ATOM   2947 H HB2  . LYS   B 1 76  ? 11.54  5.713   -25.652 0 30     ? 88  LYS   A HB2  1 c 2 
ATOM   2948 H HB3  . LYS   B 1 76  ? 9.783  6.318   -25.632 0 30     ? 88  LYS   A HB3  1 c 2 
ATOM   2949 N N    . ALA   B 1 77  ? 9.991  9.048   -27.256 1 29.425 ? 89  ALA   A N    1 ? 2 
ATOM   2950 C CA   . ALA   B 1 77  ? 9.819  9.737   -28.557 1 26.9   ? 89  ALA   A CA   1 ? 2 
ATOM   2951 C C    . ALA   B 1 77  ? 10.816 10.871  -28.787 1 26.297 ? 89  ALA   A C    1 ? 2 
ATOM   2952 O O    . ALA   B 1 77  ? 11.309 11.1    -29.889 1 27.484 ? 89  ALA   A O    1 ? 2 
ATOM   2953 C CB   . ALA   B 1 77  ? 8.439  10.29   -28.691 1 25.203 ? 89  ALA   A CB   1 ? 2 
ATOM   2954 H H    . ALA   B 1 77  ? 9.284  9.005   -26.679 1 28.175 ? 89  ALA   A H    1 c 2 
ATOM   2955 H HA   . ALA   B 1 77  ? 9.96   9.061   -29.276 1 27.35  ? 89  ALA   A HA   1 c 2 
ATOM   2956 H HB1  . ALA   B 1 77  ? 7.796  9.562   -28.706 1 25.966 ? 89  ALA   A HB1  1 c 2 
ATOM   2957 H HB2  . ALA   B 1 77  ? 8.247  10.873  -27.938 1 25.426 ? 89  ALA   A HB2  1 c 2 
ATOM   2958 H HB3  . ALA   B 1 77  ? 8.368  10.797  -29.517 1 25.454 ? 89  ALA   A HB3  1 c 2 
ATOM   2959 N N    . TRP   B 1 78  ? 11.195 11.593  -27.689 1 27.07  ? 90  TRP   A N    1 ? 2 
ATOM   2960 C CA   . TRP   B 1 78  ? 12.19  12.629  -27.781 1 28.561 ? 90  TRP   A CA   1 ? 2 
ATOM   2961 C C    . TRP   B 1 78  ? 13.59  12.074  -27.98  1 27.442 ? 90  TRP   A C    1 ? 2 
ATOM   2962 O O    . TRP   B 1 78  ? 14.36  12.677  -28.785 1 29.265 ? 90  TRP   A O    1 ? 2 
ATOM   2963 C CB   . TRP   B 1 78  ? 12.141 13.619  -26.58  1 26.058 ? 90  TRP   A CB   1 ? 2 
ATOM   2964 C CG   . TRP   B 1 78  ? 11.143 14.745  -26.725 1 28.179 ? 90  TRP   A CG   1 ? 2 
ATOM   2965 C CD1  . TRP   B 1 78  ? 9.819  14.754  -27.073 1 29.909 ? 90  TRP   A CD1  1 ? 2 
ATOM   2966 C CD2  . TRP   B 1 78  ? 11.505 16.116  -26.508 1 27.548 ? 90  TRP   A CD2  1 ? 2 
ATOM   2967 N NE1  . TRP   B 1 78  ? 9.352  16.044  -27.114 1 27.945 ? 90  TRP   A NE1  1 ? 2 
ATOM   2968 C CE2  . TRP   B 1 78  ? 10.371 16.92   -26.756 1 25.491 ? 90  TRP   A CE2  1 ? 2 
ATOM   2969 C CE3  . TRP   B 1 78  ? 12.707 16.706  -26.165 1 27.669 ? 90  TRP   A CE3  1 ? 2 
ATOM   2970 C CZ2  . TRP   B 1 78  ? 10.407 18.302  -26.622 1 29.154 ? 90  TRP   A CZ2  1 ? 2 
ATOM   2971 C CZ3  . TRP   B 1 78  ? 12.747 18.076  -26.028 1 31.502 ? 90  TRP   A CZ3  1 ? 2 
ATOM   2972 C CH2  . TRP   B 1 78  ? 11.595 18.888  -26.234 1 33.322 ? 90  TRP   A CH2  1 ? 2 
ATOM   2973 H H    . TRP   B 1 78  ? 10.809 11.421  -26.879 1 27.301 ? 90  TRP   A H    1 c 2 
ATOM   2974 H HA   . TRP   B 1 78  ? 11.973 13.161  -28.593 1 27.223 ? 90  TRP   A HA   1 c 2 
ATOM   2975 H HB2  . TRP   B 1 78  ? 11.929 13.112  -25.767 1 27.421 ? 90  TRP   A HB2  1 c 2 
ATOM   2976 H HB3  . TRP   B 1 78  ? 13.036 14.002  -26.459 1 27.611 ? 90  TRP   A HB3  1 c 2 
ATOM   2977 H HD1  . TRP   B 1 78  ? 9.302  13.992  -27.284 1 28.621 ? 90  TRP   A HD1  1 c 2 
ATOM   2978 H HE1  . TRP   B 1 78  ? 8.536  16.272  -27.291 1 27.709 ? 90  TRP   A HE1  1 c 2 
ATOM   2979 H HE3  . TRP   B 1 78  ? 13.469 16.181  -25.992 1 28.726 ? 90  TRP   A HE3  1 c 2 
ATOM   2980 H HZ2  . TRP   B 1 78  ? 9.638  18.823  -26.78  1 29.45  ? 90  TRP   A HZ2  1 c 2 
ATOM   2981 H HZ3  . TRP   B 1 78  ? 13.555 18.486  -25.766 1 31.777 ? 90  TRP   A HZ3  1 c 2 
ATOM   2982 H HH2  . TRP   B 1 78  ? 11.656 19.823  -26.156 1 32.802 ? 90  TRP   A HH2  1 c 2 
ATOM   2983 N N    . ASP   B 1 79  ? 13.939 11.014  -27.226 1 28.059 ? 91  ASP   A N    1 ? 2 
ATOM   2984 C CA   . ASP   B 1 79  ? 15.224 10.363  -27.417 1 29.259 ? 91  ASP   A CA   1 ? 2 
ATOM   2985 C C    . ASP   B 1 79  ? 15.388 9.902   -28.875 1 32.061 ? 91  ASP   A C    1 ? 2 
ATOM   2986 O O    . ASP   B 1 79  ? 16.446 10.134  -29.482 1 31.081 ? 91  ASP   A O    1 ? 2 
ATOM   2987 C CB   . ASP   B 1 79  ? 15.485 9.283   -26.402 1 31.981 ? 91  ASP   A CB   1 ? 2 
ATOM   2988 C CG   . ASP   B 1 79  ? 15.953 9.802   -25.026 1 32.148 ? 91  ASP   A CG   1 ? 2 
ATOM   2989 O OD1  . ASP   B 1 79  ? 16.504 10.919  -25.005 1 32.069 ? 91  ASP   A OD1  1 ? 2 
ATOM   2990 O OD2  . ASP   B 1 79  ? 15.935 8.958   -24.039 1 32.75  ? 91  ASP   A OD2  1 ? 2 
ATOM   2991 H H    . ASP   B 1 79  ? 13.369 10.7    -26.585 1 28.137 ? 91  ASP   A H    1 c 2 
ATOM   2992 H HA   . ASP   B 1 79  ? 15.917 11.042  -27.257 1 30.262 ? 91  ASP   A HA   1 c 2 
ATOM   2993 H HB2  . ASP   B 1 79  ? 14.664 8.763   -26.272 1 31.275 ? 91  ASP   A HB2  1 c 2 
ATOM   2994 H HB3  . ASP   B 1 79  ? 16.173 8.678   -26.75  1 32.321 ? 91  ASP   A HB3  1 c 2 
ATOM   2995 N N    . ILE   B 1 80  ? 14.306 9.426   -29.464 1 27.465 ? 92  ILE   A N    1 ? 2 
ATOM   2996 C CA   . ILE   B 1 80  ? 14.295 8.964   -30.87  1 30.419 ? 92  ILE   A CA   1 ? 2 
ATOM   2997 C C    . ILE   B 1 80  ? 14.34  10.153  -31.851 1 25.794 ? 92  ILE   A C    1 ? 2 
ATOM   2998 O O    . ILE   B 1 80  ? 15.197 10.179  -32.73  1 32.675 ? 92  ILE   A O    1 ? 2 
ATOM   2999 C CB   . ILE   B 1 80  ? 13.066 8.047   -31.155 1 31.84  ? 92  ILE   A CB   1 ? 2 
ATOM   3000 C CG1  . ILE   B 1 80  ? 13.132 6.769   -30.344 1 39.542 ? 92  ILE   A CG1  1 ? 2 
ATOM   3001 C CG2  . ILE   B 1 80  ? 12.932 7.725   -32.666 1 36.074 ? 92  ILE   A CG2  1 ? 2 
ATOM   3002 C CD1  . ILE   B 1 80  ? 11.833 5.955   -30.284 1 37.248 ? 92  ILE   A CD1  1 ? 2 
ATOM   3003 H H    . ILE   B 1 80  ? 13.531 9.368   -28.984 1 28.524 ? 92  ILE   A H    1 c 2 
ATOM   3004 H HA   . ILE   B 1 80  ? 15.101 8.429   -31.012 1 30.264 ? 92  ILE   A HA   1 c 2 
ATOM   3005 H HB   . ILE   B 1 80  ? 12.263 8.533   -30.879 1 32.552 ? 92  ILE   A HB   1 c 2 
ATOM   3006 H HG12 . ILE   B 1 80  ? 13.835 6.201   -30.721 1 38.267 ? 92  ILE   A HG12 1 c 2 
ATOM   3007 H HG13 . ILE   B 1 80  ? 13.396 6.995   -29.429 1 36.965 ? 92  ILE   A HG13 1 c 2 
ATOM   3008 H HG21 . ILE   B 1 80  ? 12.289 7.007   -32.792 1 35.447 ? 92  ILE   A HG21 1 c 2 
ATOM   3009 H HG22 . ILE   B 1 80  ? 13.795 7.449   -33.018 1 35.866 ? 92  ILE   A HG22 1 c 2 
ATOM   3010 H HG23 . ILE   B 1 80  ? 12.627 8.514   -33.144 1 34.496 ? 92  ILE   A HG23 1 c 2 
ATOM   3011 H HD11 . ILE   B 1 80  ? 11.095 6.537   -30.021 1 37.065 ? 92  ILE   A HD11 1 c 2 
ATOM   3012 H HD12 . ILE   B 1 80  ? 11.928 5.238   -29.629 1 38.71  ? 92  ILE   A HD12 1 c 2 
ATOM   3013 H HD13 . ILE   B 1 80  ? 11.644 5.569   -31.16  1 38.494 ? 92  ILE   A HD13 1 c 2 
ATOM   3014 N N    . GLY   B 1 81  ? 13.436 11.096  -31.661 1 27.587 ? 93  GLY   A N    1 ? 2 
ATOM   3015 C CA   . GLY   B 1 81  ? 13.169 12.231  -32.564 1 27.266 ? 93  GLY   A CA   1 ? 2 
ATOM   3016 C C    . GLY   B 1 81  ? 14.269 13.238  -32.629 1 27.271 ? 93  GLY   A C    1 ? 2 
ATOM   3017 O O    . GLY   B 1 81  ? 14.757 13.608  -33.689 1 30.02  ? 93  GLY   A O    1 ? 2 
ATOM   3018 H H    . GLY   B 1 81  ? 12.929 11.039  -30.903 1 26.393 ? 93  GLY   A H    1 c 2 
ATOM   3019 H HA2  . GLY   B 1 81  ? 13.007 11.878  -33.469 1 27.749 ? 93  GLY   A HA2  1 c 2 
ATOM   3020 H HA3  . GLY   B 1 81  ? 12.342 12.678  -32.269 1 26.694 ? 93  GLY   A HA3  1 c 2 
ATOM   3021 N N    . VAL   B 1 82  ? 14.69  13.676  -31.434 1 27.36  ? 94  VAL   A N    1 ? 2 
ATOM   3022 C CA   . VAL   B 1 82  ? 15.734 14.683  -31.358 1 28.678 ? 94  VAL   A CA   1 ? 2 
ATOM   3023 C C    . VAL   B 1 82  ? 17.058 14.17   -31.915 1 27.521 ? 94  VAL   A C    1 ? 2 
ATOM   3024 O O    . VAL   B 1 82  ? 17.78  14.931  -32.543 1 36.466 ? 94  VAL   A O    1 ? 2 
ATOM   3025 C CB   . VAL   B 1 82  ? 15.836 15.28   -29.957 1 30.14  ? 94  VAL   A CB   1 ? 2 
ATOM   3026 C CG1  . VAL   B 1 82  ? 16.943 16.297  -29.911 1 36.889 ? 94  VAL   A CG1  1 ? 2 
ATOM   3027 C CG2  . VAL   B 1 82  ? 14.537 15.929  -29.535 1 31.218 ? 94  VAL   A CG2  1 ? 2 
ATOM   3028 H H    . VAL   B 1 82  ? 14.329 13.342  -30.663 1 27.059 ? 94  VAL   A H    1 c 2 
ATOM   3029 H HA   . VAL   B 1 82  ? 15.453 15.412  -31.945 1 28.613 ? 94  VAL   A HA   1 c 2 
ATOM   3030 H HB   . VAL   B 1 82  ? 16.049 14.548  -29.332 1 31.105 ? 94  VAL   A HB   1 c 2 
ATOM   3031 H HG11 . VAL   B 1 82  ? 16.927 16.832  -30.723 1 35.238 ? 94  VAL   A HG11 1 c 2 
ATOM   3032 H HG12 . VAL   B 1 82  ? 17.799 15.843  -29.841 1 35.57  ? 94  VAL   A HG12 1 c 2 
ATOM   3033 H HG13 . VAL   B 1 82  ? 16.821 16.876  -29.141 1 35.082 ? 94  VAL   A HG13 1 c 2 
ATOM   3034 H HG21 . VAL   B 1 82  ? 14.654 16.362  -28.673 1 30.89  ? 94  VAL   A HG21 1 c 2 
ATOM   3035 H HG22 . VAL   B 1 82  ? 13.842 15.253  -29.463 1 30.069 ? 94  VAL   A HG22 1 c 2 
ATOM   3036 H HG23 . VAL   B 1 82  ? 14.275 16.591  -30.196 1 30.838 ? 94  VAL   A HG23 1 c 2 
ATOM   3037 N N    . ALA   B 1 83  ? 17.341 12.863  -31.784 1 29.165 ? 95  ALA   A N    1 ? 2 
ATOM   3038 C CA   . ALA   B 1 83  ? 18.497 12.189  -32.353 1 30.951 ? 95  ALA   A CA   1 ? 2 
ATOM   3039 C C    . ALA   B 1 83  ? 18.57  12.318  -33.877 1 34.38  ? 95  ALA   A C    1 ? 2 
ATOM   3040 O O    . ALA   B 1 83  ? 19.65  12.248  -34.391 1 39.05  ? 95  ALA   A O    1 ? 2 
ATOM   3041 C CB   . ALA   B 1 83  ? 18.567 10.724  -31.934 1 35.209 ? 95  ALA   A CB   1 ? 2 
ATOM   3042 H H    . ALA   B 1 83  ? 16.762 12.357  -31.291 1 28.391 ? 95  ALA   A H    1 c 2 
ATOM   3043 H HA   . ALA   B 1 83  ? 19.303 12.644  -31.987 1 32.631 ? 95  ALA   A HA   1 c 2 
ATOM   3044 H HB1  . ALA   B 1 83  ? 18.584 10.662  -30.965 1 33.808 ? 95  ALA   A HB1  1 c 2 
ATOM   3045 H HB2  . ALA   B 1 83  ? 17.789 10.25   -32.272 1 33.616 ? 95  ALA   A HB2  1 c 2 
ATOM   3046 H HB3  . ALA   B 1 83  ? 19.372 10.319  -32.296 1 35.198 ? 95  ALA   A HB3  1 c 2 
ATOM   3047 N N    . THR   B 1 84  ? 17.418 12.558  -34.539 1 33.424 ? 96  THR   A N    1 ? 2 
ATOM   3048 C CA   . THR   B 1 84  ? 17.392 12.667  -35.999 1 37.87  ? 96  THR   A CA   1 ? 2 
ATOM   3049 C C    . THR   B 1 84  ? 17.588 14.106  -36.471 1 35.617 ? 96  THR   A C    1 ? 2 
ATOM   3050 O O    . THR   B 1 84  ? 17.803 14.313  -37.675 1 34.895 ? 96  THR   A O    1 ? 2 
ATOM   3051 C CB   . THR   B 1 84  ? 16.07  12.136  -36.546 1 31.945 ? 96  THR   A CB   1 ? 2 
ATOM   3052 O OG1  . THR   B 1 84  ? 15.123 13.15   -36.265 1 37.215 ? 96  THR   A OG1  1 ? 2 
ATOM   3053 C CG2  . THR   B 1 84  ? 15.763 10.709  -36.072 1 36.258 ? 96  THR   A CG2  1 ? 2 
ATOM   3054 H H    . THR   B 1 84  ? 16.634 12.637  -34.077 1 33.093 ? 96  THR   A H    1 c 2 
ATOM   3055 H HA   . THR   B 1 84  ? 18.119 12.116  -36.363 1 36.702 ? 96  THR   A HA   1 c 2 
ATOM   3056 H HB   . THR   B 1 84  ? 16.165 12.077  -37.527 1 36.001 ? 96  THR   A HB   1 c 2 
ATOM   3057 H HG1  . THR   B 1 84  ? 15.082 13.291  -35.41  0 30     ? 96  THR   A HG1  1 c 2 
ATOM   3058 H HG21 . THR   B 1 84  ? 14.971 10.379  -36.529 1 34.907 ? 96  THR   A HG21 1 c 2 
ATOM   3059 H HG22 . THR   B 1 84  ? 15.605 10.712  -35.114 1 33.863 ? 96  THR   A HG22 1 c 2 
ATOM   3060 H HG23 . THR   B 1 84  ? 16.517 10.13   -36.274 1 35.836 ? 96  THR   A HG23 1 c 2 
ATOM   3061 N N    . MET   B 1 85  ? 17.661 15.058  -35.562 1 34.807 ? 97  MET   A N    1 ? 2 
ATOM   3062 C CA   . MET   B 1 85  ? 17.621 16.471  -35.955 1 37.991 ? 97  MET   A CA   1 ? 2 
ATOM   3063 C C    . MET   B 1 85  ? 19.028 17.047  -36.139 1 37.651 ? 97  MET   A C    1 ? 2 
ATOM   3064 O O    . MET   B 1 85  ? 19.98  16.668  -35.43  1 36.871 ? 97  MET   A O    1 ? 2 
ATOM   3065 C CB   . MET   B 1 85  ? 16.835 17.295  -34.93  1 32.76  ? 97  MET   A CB   1 ? 2 
ATOM   3066 C CG   . MET   B 1 85  ? 15.421 16.822  -34.806 1 37.294 ? 97  MET   A CG   1 ? 2 
ATOM   3067 S SD   . MET   B 1 85  ? 14.446 17.746  -33.607 1 34.207 ? 97  MET   A SD   1 ? 2 
ATOM   3068 C CE   . MET   B 1 85  ? 14.395 19.369  -34.428 1 35.974 ? 97  MET   A CE   1 ? 2 
ATOM   3069 H H    . MET   B 1 85  ? 17.74  14.847  -34.677 1 34.657 ? 97  MET   A H    1 c 2 
ATOM   3070 H HA   . MET   B 1 85  ? 17.155 16.528  -36.828 1 36.824 ? 97  MET   A HA   1 c 2 
ATOM   3071 H HB2  . MET   B 1 85  ? 17.279 17.228  -34.058 1 34.555 ? 97  MET   A HB2  1 c 2 
ATOM   3072 H HB3  . MET   B 1 85  ? 16.843 18.236  -35.205 1 35.657 ? 97  MET   A HB3  1 c 2 
ATOM   3073 H HG2  . MET   B 1 85  ? 14.984 16.888  -35.677 1 35.848 ? 97  MET   A HG2  1 c 2 
ATOM   3074 H HG3  . MET   B 1 85  ? 15.42  15.882  -34.545 1 34.748 ? 97  MET   A HG3  1 c 2 
ATOM   3075 H HE1  . MET   B 1 85  ? 13.86  19.984  -33.895 1 35.828 ? 97  MET   A HE1  1 c 2 
ATOM   3076 H HE2  . MET   B 1 85  ? 15.301 19.72   -34.513 1 36.738 ? 97  MET   A HE2  1 c 2 
ATOM   3077 H HE3  . MET   B 1 85  ? 13.998 19.273  -35.314 1 36.411 ? 97  MET   A HE3  1 c 2 
ATOM   3078 N N    . LYS   B 1 86  ? 19.17  17.986  -37.099 1 37.674 ? 98  LYS   A N    1 ? 2 
ATOM   3079 C CA   . LYS   B 1 86  ? 20.393 18.746  -37.29  1 41.16  ? 98  LYS   A CA   1 ? 2 
ATOM   3080 C C    . LYS   B 1 86  ? 20.31  20.049  -36.508 1 41.526 ? 98  LYS   A C    1 ? 2 
ATOM   3081 O O    . LYS   B 1 86  ? 19.213 20.513  -36.181 1 44.898 ? 98  LYS   A O    1 ? 2 
ATOM   3082 C CB   . LYS   B 1 86  ? 20.595 18.982  -38.791 1 45.75  ? 98  LYS   A CB   1 ? 2 
ATOM   3083 C CG   . LYS   B 1 86  ? 20.692 17.778  -39.719 1 54.046 ? 98  LYS   A CG   1 ? 2 
ATOM   3084 C CD   . LYS   B 1 86  ? 20.754 18.271  -41.163 1 63.195 ? 98  LYS   A CD   1 ? 2 
ATOM   3085 C CE   . LYS   B 1 86  ? 21.119 17.187  -42.144 1 65.744 ? 98  LYS   A CE   1 ? 2 
ATOM   3086 N NZ   . LYS   B 1 86  ? 20.191 16.069  -41.967 1 63.756 ? 98  LYS   A NZ   1 ? 2 
ATOM   3087 H H    . LYS   B 1 86  ? 18.464 18.156  -37.654 1 38.515 ? 98  LYS   A H    1 c 2 
ATOM   3088 H HA   . LYS   B 1 86  ? 21.154 18.214  -36.945 1 41.45  ? 98  LYS   A HA   1 c 2 
ATOM   3089 H HB2  . LYS   B 1 86  ? 19.852 19.54   -39.106 1 46.87  ? 98  LYS   A HB2  1 c 2 
ATOM   3090 H HB3  . LYS   B 1 86  ? 21.415 19.509  -38.9   1 48.247 ? 98  LYS   A HB3  1 c 2 
ATOM   3091 H HG2  . LYS   B 1 86  ? 21.502 17.265  -39.506 1 53.762 ? 98  LYS   A HG2  1 c 2 
ATOM   3092 H HG3  . LYS   B 1 86  ? 19.905 17.205  -39.594 1 52.081 ? 98  LYS   A HG3  1 c 2 
ATOM   3093 H HD2  . LYS   B 1 86  ? 19.878 18.642  -41.409 1 61.531 ? 98  LYS   A HD2  1 c 2 
ATOM   3094 H HD3  . LYS   B 1 86  ? 21.413 18.994  -41.225 1 62.896 ? 98  LYS   A HD3  1 c 2 
ATOM   3095 H HE2  . LYS   B 1 86  ? 21.053 17.522  -43.056 1 67.194 ? 98  LYS   A HE2  1 c 2 
ATOM   3096 H HE3  . LYS   B 1 86  ? 22.03  16.881  -41.985 1 66.095 ? 98  LYS   A HE3  1 c 2 
ATOM   3097 H HZ1  . LYS   B 1 86  ? 19.357 16.374  -41.786 1 62.727 ? 98  LYS   A HZ1  1 c 2 
ATOM   3098 H HZ2  . LYS   B 1 86  ? 20.47  15.539  -41.287 1 62.784 ? 98  LYS   A HZ2  1 c 2 
ATOM   3099 H HZ3  . LYS   B 1 86  ? 20.163 15.578  -42.728 1 65.018 ? 98  LYS   A HZ3  1 c 2 
ATOM   3100 N N    . LYS   B 1 87  ? 21.451 20.713  -36.283 1 43.363 ? 99  LYS   A N    1 ? 2 
ATOM   3101 C CA   . LYS   B 1 87  ? 21.474 22.004  -35.598 1 44.037 ? 99  LYS   A CA   1 ? 2 
ATOM   3102 C C    . LYS   B 1 87  ? 20.704 23.03   -36.421 1 44.693 ? 99  LYS   A C    1 ? 2 
ATOM   3103 O O    . LYS   B 1 87  ? 20.925 23.15   -37.619 1 44.105 ? 99  LYS   A O    1 ? 2 
ATOM   3104 C CB   . LYS   B 1 87  ? 22.909 22.486  -35.361 1 51.416 ? 99  LYS   A CB   1 ? 2 
ATOM   3105 C CG   . LYS   B 1 87  ? 22.991 23.627  -34.341 1 59.56  ? 99  LYS   A CG   1 ? 2 
ATOM   3106 C CD   . LYS   B 1 87  ? 24.15  24.581  -34.55  1 58.937 ? 99  LYS   A CD   1 ? 2 
ATOM   3107 C CE   . LYS   B 1 87  ? 24.577 25.458  -33.397 1 62.045 ? 99  LYS   A CE   1 ? 2 
ATOM   3108 N NZ   . LYS   B 1 87  ? 25.986 25.809  -33.642 1 63.032 ? 99  LYS   A NZ   1 ? 2 
ATOM   3109 H H    . LYS   B 1 87  ? 22.241 20.35   -36.565 1 44.273 ? 99  LYS   A H    1 c 2 
ATOM   3110 H HA   . LYS   B 1 87  ? 21.026 21.896  -34.72  1 43.459 ? 99  LYS   A HA   1 c 2 
ATOM   3111 H HB2  . LYS   B 1 87  ? 23.451 21.735  -35.038 1 51.186 ? 99  LYS   A HB2  1 c 2 
ATOM   3112 H HB3  . LYS   B 1 87  ? 23.291 22.793  -36.21  1 53.167 ? 99  LYS   A HB3  1 c 2 
ATOM   3113 H HG2  . LYS   B 1 87  ? 22.152 24.137  -34.375 1 56.403 ? 99  LYS   A HG2  1 c 2 
ATOM   3114 H HG3  . LYS   B 1 87  ? 23.062 23.235  -33.444 1 55.842 ? 99  LYS   A HG3  1 c 2 
ATOM   3115 H HD2  . LYS   B 1 87  ? 24.923 24.047  -34.834 1 60.752 ? 99  LYS   A HD2  1 c 2 
ATOM   3116 H HD3  . LYS   B 1 87  ? 23.923 25.163  -35.308 1 61.29  ? 99  LYS   A HD3  1 c 2 
ATOM   3117 H HE2  . LYS   B 1 87  ? 24.036 26.267  -33.361 1 61.681 ? 99  LYS   A HE2  1 c 2 
ATOM   3118 H HE3  . LYS   B 1 87  ? 24.497 24.979  -32.552 1 59.924 ? 99  LYS   A HE3  1 c 2 
ATOM   3119 H HZ1  . LYS   B 1 87  ? 26.091 26.102  -34.493 1 64.76  ? 99  LYS   A HZ1  1 c 2 
ATOM   3120 H HZ2  . LYS   B 1 87  ? 26.513 25.083  -33.509 1 63.274 ? 99  LYS   A HZ2  1 c 2 
ATOM   3121 H HZ3  . LYS   B 1 87  ? 26.239 26.465  -33.071 1 64.785 ? 99  LYS   A HZ3  1 c 2 
ATOM   3122 N N    . GLY   B 1 88  ? 19.812 23.789  -35.779 1 40.533 ? 100 GLY   A N    1 ? 2 
ATOM   3123 C CA   . GLY   B 1 88  ? 18.995 24.803  -36.45  1 43.395 ? 100 GLY   A CA   1 ? 2 
ATOM   3124 C C    . GLY   B 1 88  ? 17.68  24.246  -36.995 1 42.548 ? 100 GLY   A C    1 ? 2 
ATOM   3125 O O    . GLY   B 1 88  ? 16.869 24.998  -37.457 1 42.115 ? 100 GLY   A O    1 ? 2 
ATOM   3126 H H    . GLY   B 1 88  ? 19.705 23.674  -34.879 1 40.714 ? 100 GLY   A H    1 c 2 
ATOM   3127 H HA2  . GLY   B 1 88  ? 18.799 25.525  -35.808 1 43.486 ? 100 GLY   A HA2  1 c 2 
ATOM   3128 H HA3  . GLY   B 1 88  ? 19.515 25.195  -37.191 1 45.001 ? 100 GLY   A HA3  1 c 2 
ATOM   3129 N N    . GLU   B 1 89  ? 17.524 22.915  -37.042 1 39.829 ? 101 GLU   A N    1 ? 2 
ATOM   3130 C CA   . GLU   B 1 89  ? 16.315 22.282  -37.555 1 40.517 ? 101 GLU   A CA   1 ? 2 
ATOM   3131 C C    . GLU   B 1 89  ? 15.094 22.554  -36.656 1 40.85  ? 101 GLU   A C    1 ? 2 
ATOM   3132 O O    . GLU   B 1 89  ? 15.205 22.561  -35.44  1 36.856 ? 101 GLU   A O    1 ? 2 
ATOM   3133 C CB   . GLU   B 1 89  ? 16.523 20.781  -37.724 1 38.762 ? 101 GLU   A CB   1 ? 2 
ATOM   3134 C CG   . GLU   B 1 89  ? 15.366 19.982  -38.352 1 37.637 ? 101 GLU   A CG   1 ? 2 
ATOM   3135 C CD   . GLU   B 1 89  ? 15.686 18.505  -38.51  1 38.257 ? 101 GLU   A CD   1 ? 2 
ATOM   3136 O OE1  . GLU   B 1 89  ? 16.824 18.146  -38.927 1 38.456 ? 101 GLU   A OE1  1 ? 2 
ATOM   3137 O OE2  . GLU   B 1 89  ? 14.816 17.732  -38.122 1 37.176 ? 101 GLU   A OE2  1 ? 2 
ATOM   3138 H H    . GLU   B 1 89  ? 18.197 22.377  -36.739 1 39.928 ? 101 GLU   A H    1 c 2 
ATOM   3139 H HA   . GLU   B 1 89  ? 16.133 22.664  -38.449 1 41.868 ? 101 GLU   A HA   1 c 2 
ATOM   3140 H HB2  . GLU   B 1 89  ? 17.322 20.642  -38.273 1 39.847 ? 101 GLU   A HB2  1 c 2 
ATOM   3141 H HB3  . GLU   B 1 89  ? 16.702 20.395  -36.841 1 37.524 ? 101 GLU   A HB3  1 c 2 
ATOM   3142 H HG2  . GLU   B 1 89  ? 14.567 20.073  -37.79  1 37.06  ? 101 GLU   A HG2  1 c 2 
ATOM   3143 H HG3  . GLU   B 1 89  ? 15.159 20.355  -39.235 1 39.507 ? 101 GLU   A HG3  1 c 2 
ATOM   3144 N N    . ILE   B 1 90  ? 13.931 22.733  -37.297 1 41.177 ? 102 ILE   A N    1 ? 2 
ATOM   3145 C CA   . ILE   B 1 90  ? 12.644 22.742  -36.596 1 38.988 ? 102 ILE   A CA   1 ? 2 
ATOM   3146 C C    . ILE   B 1 90  ? 11.793 21.639  -37.177 1 34.892 ? 102 ILE   A C    1 ? 2 
ATOM   3147 O O    . ILE   B 1 90  ? 11.703 21.487  -38.405 1 39.139 ? 102 ILE   A O    1 ? 2 
ATOM   3148 C CB   . ILE   B 1 90  ? 11.909 24.101  -36.702 1 41.005 ? 102 ILE   A CB   1 ? 2 
ATOM   3149 C CG1  . ILE   B 1 90  ? 12.774 25.243  -36.19  1 45.426 ? 102 ILE   A CG1  1 ? 2 
ATOM   3150 C CG2  . ILE   B 1 90  ? 10.543 24.059  -35.987 1 37.143 ? 102 ILE   A CG2  1 ? 2 
ATOM   3151 C CD1  . ILE   B 1 90  ? 12.093 26.597  -36.082 1 46.284 ? 102 ILE   A CD1  1 ? 2 
ATOM   3152 H H    . ILE   B 1 90  ? 13.936 22.854  -38.203 1 42.225 ? 102 ILE   A H    1 c 2 
ATOM   3153 H HA   . ILE   B 1 90  ? 12.804 22.554  -35.655 1 37.352 ? 102 ILE   A HA   1 c 2 
ATOM   3154 H HB   . ILE   B 1 90  ? 11.74  24.267  -37.651 1 42.273 ? 102 ILE   A HB   1 c 2 
ATOM   3155 H HG12 . ILE   B 1 90  ? 13.111 24.997  -35.305 1 43.228 ? 102 ILE   A HG12 1 c 2 
ATOM   3156 H HG13 . ILE   B 1 90  ? 13.548 25.334  -36.783 1 45.397 ? 102 ILE   A HG13 1 c 2 
ATOM   3157 H HG21 . ILE   B 1 90  ? 10.161 24.951  -35.954 1 39.376 ? 102 ILE   A HG21 1 c 2 
ATOM   3158 H HG22 . ILE   B 1 90  ? 10.659 23.726  -35.081 1 36.603 ? 102 ILE   A HG22 1 c 2 
ATOM   3159 H HG23 . ILE   B 1 90  ? 9.938  23.472  -36.47  1 37.613 ? 102 ILE   A HG23 1 c 2 
ATOM   3160 H HD11 . ILE   B 1 90  ? 11.562 26.76   -36.885 1 47.761 ? 102 ILE   A HD11 1 c 2 
ATOM   3161 H HD12 . ILE   B 1 90  ? 12.767 27.296  -35.993 1 48.026 ? 102 ILE   A HD12 1 c 2 
ATOM   3162 H HD13 . ILE   B 1 90  ? 11.51  26.612  -35.3   1 45.792 ? 102 ILE   A HD13 1 c 2 
ATOM   3163 N N    . ALA   B 1 91  ? 11.285 20.799  -36.29  1 32.361 ? 103 ALA   A N    1 ? 2 
ATOM   3164 C CA   . ALA   B 1 91  ? 10.495 19.615  -36.607 1 31.773 ? 103 ALA   A CA   1 ? 2 
ATOM   3165 C C    . ALA   B 1 91  ? 9.218  19.545  -35.792 1 32.218 ? 103 ALA   A C    1 ? 2 
ATOM   3166 O O    . ALA   B 1 91  ? 9.068  20.155  -34.706 1 33.523 ? 103 ALA   A O    1 ? 2 
ATOM   3167 C CB   . ALA   B 1 91  ? 11.34  18.36   -36.452 1 31.032 ? 103 ALA   A CB   1 ? 2 
ATOM   3168 H H    . ALA   B 1 91  ? 11.438 20.975  -35.406 1 31.939 ? 103 ALA   A H    1 c 2 
ATOM   3169 H HA   . ALA   B 1 91  ? 10.229 19.688  -37.563 1 33.201 ? 103 ALA   A HA   1 c 2 
ATOM   3170 H HB1  . ALA   B 1 91  ? 12.103 18.402  -37.053 1 31.767 ? 103 ALA   A HB1  1 c 2 
ATOM   3171 H HB2  . ALA   B 1 91  ? 11.657 18.29   -35.535 1 30.02  ? 103 ALA   A HB2  1 c 2 
ATOM   3172 H HB3  . ALA   B 1 91  ? 10.806 17.577  -36.667 1 30.587 ? 103 ALA   A HB3  1 c 2 
ATOM   3173 N N    . HIS   B 1 92  ? 8.228  18.872  -36.391 1 29.565 ? 104 HIS   A N    1 ? 2 
ATOM   3174 C CA   . HIS   B 1 92  ? 7.007  18.478  -35.732 1 31.199 ? 104 HIS   A CA   1 ? 2 
ATOM   3175 C C    . HIS   B 1 92  ? 7.034  16.973  -35.418 1 31.107 ? 104 HIS   A C    1 ? 2 
ATOM   3176 O O    . HIS   B 1 92  ? 7.381  16.192  -36.292 1 32.226 ? 104 HIS   A O    1 ? 2 
ATOM   3177 C CB   . HIS   B 1 92  ? 5.776  18.773  -36.586 1 30.685 ? 104 HIS   A CB   1 ? 2 
ATOM   3178 C CG   . HIS   B 1 92  ? 5.463  20.229  -36.609 1 31.179 ? 104 HIS   A CG   1 ? 2 
ATOM   3179 N ND1  . HIS   B 1 92  ? 4.435  20.705  -37.335 1 31.226 ? 104 HIS   A ND1  1 ? 2 
ATOM   3180 C CD2  . HIS   B 1 92  ? 5.996  21.267  -35.96  1 30.101 ? 104 HIS   A CD2  1 ? 2 
ATOM   3181 C CE1  . HIS   B 1 92  ? 4.357  22.031  -37.171 1 34.266 ? 104 HIS   A CE1  1 ? 2 
ATOM   3182 N NE2  . HIS   B 1 92  ? 5.316  22.388  -36.307 1 30.907 ? 104 HIS   A NE2  1 ? 2 
ATOM   3183 H H    . HIS   B 1 92  ? 8.33   18.647  -37.271 1 31.549 ? 104 HIS   A H    1 c 2 
ATOM   3184 H HA   . HIS   B 1 92  ? 6.935  18.971  -34.882 1 30.111 ? 104 HIS   A HA   1 c 2 
ATOM   3185 H HB2  . HIS   B 1 92  ? 5.941  18.462  -37.503 1 31.678 ? 104 HIS   A HB2  1 c 2 
ATOM   3186 H HB3  . HIS   B 1 92  ? 5.007  18.283  -36.221 1 30.469 ? 104 HIS   A HB3  1 c 2 
ATOM   3187 H HD1  . HIS   B 1 92  ? 3.899  20.219  -37.84  0 30     ? 104 HIS   A HD1  1 c 2 
ATOM   3188 H HD2  . HIS   B 1 92  ? 6.724  21.242  -35.371 1 29.289 ? 104 HIS   A HD2  1 c 2 
ATOM   3189 H HE1  . HIS   B 1 92  ? 3.73   22.606  -37.574 1 35.037 ? 104 HIS   A HE1  1 c 2 
ATOM   3190 H HE2  . HIS   B 1 92  ? 5.473  23.2    -36.016 0 30     ? 104 HIS   A HE2  1 c 2 
ATOM   3191 N N    . LEU   B 1 93  ? 6.597  16.596  -34.225 1 28.448 ? 105 LEU   A N    1 ? 2 
ATOM   3192 C CA   . LEU   B 1 93  ? 6.468  15.199  -33.838 1 29.707 ? 105 LEU   A CA   1 ? 2 
ATOM   3193 C C    . LEU   B 1 93  ? 5.059  14.951  -33.358 1 29.881 ? 105 LEU   A C    1 ? 2 
ATOM   3194 O O    . LEU   B 1 93  ? 4.507  15.713  -32.53  1 28.888 ? 105 LEU   A O    1 ? 2 
ATOM   3195 C CB   . LEU   B 1 93  ? 7.416  14.8    -32.696 1 26.346 ? 105 LEU   A CB   1 ? 2 
ATOM   3196 C CG   . LEU   B 1 93  ? 8.921  14.924  -32.901 1 26.247 ? 105 LEU   A CG   1 ? 2 
ATOM   3197 C CD1  . LEU   B 1 93  ? 9.69   14.414  -31.702 1 30.879 ? 105 LEU   A CD1  1 ? 2 
ATOM   3198 C CD2  . LEU   B 1 93  ? 9.417  14.107  -34.144 1 26.491 ? 105 LEU   A CD2  1 ? 2 
ATOM   3199 H H    . LEU   B 1 93  ? 6.365  17.238  -33.617 1 29.218 ? 105 LEU   A H    1 c 2 
ATOM   3200 H HA   . LEU   B 1 93  ? 6.649  14.634  -34.626 1 29.23  ? 105 LEU   A HA   1 c 2 
ATOM   3201 H HB2  . LEU   B 1 93  ? 7.173  15.335  -31.906 1 26.614 ? 105 LEU   A HB2  1 c 2 
ATOM   3202 H HB3  . LEU   B 1 93  ? 7.22   13.864  -32.459 1 26.58  ? 105 LEU   A HB3  1 c 2 
ATOM   3203 H HG   . LEU   B 1 93  ? 9.144  15.881  -33.038 1 27.449 ? 105 LEU   A HG   1 c 2 
ATOM   3204 H HD11 . LEU   B 1 93  ? 9.438  14.924  -30.913 1 28.948 ? 105 LEU   A HD11 1 c 2 
ATOM   3205 H HD12 . LEU   B 1 93  ? 10.643 14.514  -31.86  1 29.316 ? 105 LEU   A HD12 1 c 2 
ATOM   3206 H HD13 . LEU   B 1 93  ? 9.483  13.475  -31.559 1 28.995 ? 105 LEU   A HD13 1 c 2 
ATOM   3207 H HD21 . LEU   B 1 93  ? 9.018  14.47   -34.952 1 27.358 ? 105 LEU   A HD21 1 c 2 
ATOM   3208 H HD22 . LEU   B 1 93  ? 9.157  13.176  -34.046 1 26.501 ? 105 LEU   A HD22 1 c 2 
ATOM   3209 H HD23 . LEU   B 1 93  ? 10.385 14.167  -34.207 1 26.766 ? 105 LEU   A HD23 1 c 2 
ATOM   3210 N N    . LEU   B 1 94  ? 4.497  13.855  -33.864 1 26.765 ? 106 LEU   A N    1 ? 2 
ATOM   3211 C CA   . LEU   B 1 94  ? 3.266  13.328  -33.348 1 28.031 ? 106 LEU   A CA   1 ? 2 
ATOM   3212 C C    . LEU   B 1 94  ? 3.551  11.936  -32.761 1 29.536 ? 106 LEU   A C    1 ? 2 
ATOM   3213 O O    . LEU   B 1 94  ? 4.116  11.068  -33.454 1 28.4   ? 106 LEU   A O    1 ? 2 
ATOM   3214 C CB   . LEU   B 1 94  ? 2.174  13.299  -34.402 1 29.468 ? 106 LEU   A CB   1 ? 2 
ATOM   3215 C CG   . LEU   B 1 94  ? 0.768  12.887  -33.944 1 31.882 ? 106 LEU   A CG   1 ? 2 
ATOM   3216 C CD1  . LEU   B 1 94  ? 0.066  13.905  -32.977 1 32.016 ? 106 LEU   A CD1  1 ? 2 
ATOM   3217 C CD2  . LEU   B 1 94  ? -0.152 12.551  -35.164 1 37.821 ? 106 LEU   A CD2  1 ? 2 
ATOM   3218 H H    . LEU   B 1 94  ? 4.9    13.424  -34.562 1 28.144 ? 106 LEU   A H    1 c 2 
ATOM   3219 H HA   . LEU   B 1 94  ? 2.97   13.914  -32.607 1 27.939 ? 106 LEU   A HA   1 c 2 
ATOM   3220 H HB2  . LEU   B 1 94  ? 2.116  14.196  -34.804 1 30.393 ? 106 LEU   A HB2  1 c 2 
ATOM   3221 H HB3  . LEU   B 1 94  ? 2.457  12.682  -35.116 1 30.287 ? 106 LEU   A HB3  1 c 2 
ATOM   3222 H HG   . LEU   B 1 94  ? 0.866  12.043  -33.432 1 31.793 ? 106 LEU   A HG   1 c 2 
ATOM   3223 H HD11 . LEU   B 1 94  ? 0.607  14.021  -32.179 1 31.012 ? 106 LEU   A HD11 1 c 2 
ATOM   3224 H HD12 . LEU   B 1 94  ? -0.81  13.565  -32.728 1 32.615 ? 106 LEU   A HD12 1 c 2 
ATOM   3225 H HD13 . LEU   B 1 94  ? -0.035 14.761  -33.426 1 32.621 ? 106 LEU   A HD13 1 c 2 
ATOM   3226 H HD21 . LEU   B 1 94  ? 0.233  11.815  -35.669 1 36.775 ? 106 LEU   A HD21 1 c 2 
ATOM   3227 H HD22 . LEU   B 1 94  ? -0.229 13.331  -35.738 1 37.294 ? 106 LEU   A HD22 1 c 2 
ATOM   3228 H HD23 . LEU   B 1 94  ? -1.035 12.296  -34.845 1 37.169 ? 106 LEU   A HD23 1 c 2 
ATOM   3229 N N    . ILE   B 1 95  ? 3.05   11.711  -31.54  1 26.845 ? 107 ILE   A N    1 ? 2 
ATOM   3230 C CA   . ILE   B 1 95  ? 3.566  10.655  -30.644 1 28.573 ? 107 ILE   A CA   1 ? 2 
ATOM   3231 C C    . ILE   B 1 95  ? 2.443  9.828   -30.065 1 29.548 ? 107 ILE   A C    1 ? 2 
ATOM   3232 O O    . ILE   B 1 95  ? 1.61   10.312  -29.325 1 29.692 ? 107 ILE   A O    1 ? 2 
ATOM   3233 C CB   . ILE   B 1 95  ? 4.462  11.17   -29.522 1 26.853 ? 107 ILE   A CB   1 ? 2 
ATOM   3234 C CG1  . ILE   B 1 95  ? 5.587  12.021  -30.049 1 26.705 ? 107 ILE   A CG1  1 ? 2 
ATOM   3235 C CG2  . ILE   B 1 95  ? 4.949  10.024  -28.63  1 26.623 ? 107 ILE   A CG2  1 ? 2 
ATOM   3236 C CD1  . ILE   B 1 95  ? 6.287  12.907  -29.024 1 26.677 ? 107 ILE   A CD1  1 ? 2 
ATOM   3237 H H    . ILE   B 1 95  ? 2.356  12.227  -31.246 1 28.083 ? 107 ILE   A H    1 c 2 
ATOM   3238 H HA   . ILE   B 1 95  ? 4.113  10.06   -31.19  1 28.174 ? 107 ILE   A HA   1 c 2 
ATOM   3239 H HB   . ILE   B 1 95  ? 3.909  11.751  -28.963 1 27.075 ? 107 ILE   A HB   1 c 2 
ATOM   3240 H HG12 . ILE   B 1 95  ? 6.255  11.431  -30.454 1 26.728 ? 107 ILE   A HG12 1 c 2 
ATOM   3241 H HG13 . ILE   B 1 95  ? 5.235  12.596  -30.758 1 26.96  ? 107 ILE   A HG13 1 c 2 
ATOM   3242 H HG21 . ILE   B 1 95  ? 5.692  10.327  -28.084 1 26.403 ? 107 ILE   A HG21 1 c 2 
ATOM   3243 H HG22 . ILE   B 1 95  ? 5.238  9.281   -29.185 1 27.033 ? 107 ILE   A HG22 1 c 2 
ATOM   3244 H HG23 . ILE   B 1 95  ? 4.226  9.732   -28.051 1 27.172 ? 107 ILE   A HG23 1 c 2 
ATOM   3245 H HD11 . ILE   B 1 95  ? 5.664  13.588  -28.71  1 26.717 ? 107 ILE   A HD11 1 c 2 
ATOM   3246 H HD12 . ILE   B 1 95  ? 7.057  13.34   -29.439 1 26.43  ? 107 ILE   A HD12 1 c 2 
ATOM   3247 H HD13 . ILE   B 1 95  ? 6.587  12.371  -28.267 1 26.492 ? 107 ILE   A HD13 1 c 2 
ATOM   3248 N N    . LYS   B 1 96  ? 2.424  8.537   -30.391 1 31.209 ? 108 LYS   A N    1 ? 2 
ATOM   3249 C CA   . LYS   B 1 96  ? 1.49   7.612   -29.771 1 29.053 ? 108 LYS   A CA   1 ? 2 
ATOM   3250 C C    . LYS   B 1 96  ? 1.887  7.272   -28.329 1 30.573 ? 108 LYS   A C    1 ? 2 
ATOM   3251 O O    . LYS   B 1 96  ? 3.023  7.419   -27.945 1 29.631 ? 108 LYS   A O    1 ? 2 
ATOM   3252 C CB   . LYS   B 1 96  ? 1.34   6.318   -30.558 1 33.838 ? 108 LYS   A CB   1 ? 2 
ATOM   3253 C CG   . LYS   B 1 96  ? 0.767  6.425   -31.983 1 34.988 ? 108 LYS   A CG   1 ? 2 
ATOM   3254 C CD   . LYS   B 1 96  ? 0.607  5.092   -32.708 1 42.412 ? 108 LYS   A CD   1 ? 2 
ATOM   3255 C CE   . LYS   B 1 96  ? 0.139  5.276   -34.164 1 45.96  ? 108 LYS   A CE   1 ? 2 
ATOM   3256 N NZ   . LYS   B 1 96  ? 0.264  4.001   -34.878 1 52.959 ? 108 LYS   A NZ   1 ? 2 
ATOM   3257 H H    . LYS   B 1 96  ? 3.008  8.219   -31.019 1 30.288 ? 108 LYS   A H    1 c 2 
ATOM   3258 H HA   . LYS   B 1 96  ? 0.603  8.051   -29.754 1 30.973 ? 108 LYS   A HA   1 c 2 
ATOM   3259 H HB2  . LYS   B 1 96  ? 2.224  5.898   -30.62  1 32.889 ? 108 LYS   A HB2  1 c 2 
ATOM   3260 H HB3  . LYS   B 1 96  ? 0.766  5.709   -30.047 1 33.936 ? 108 LYS   A HB3  1 c 2 
ATOM   3261 H HG2  . LYS   B 1 96  ? -0.11  6.865   -31.933 1 36.423 ? 108 LYS   A HG2  1 c 2 
ATOM   3262 H HG3  . LYS   B 1 96  ? 1.359  7.004   -32.512 1 35.464 ? 108 LYS   A HG3  1 c 2 
ATOM   3263 H HD2  . LYS   B 1 96  ? 1.467  4.618   -32.703 1 41.357 ? 108 LYS   A HD2  1 c 2 
ATOM   3264 H HD3  . LYS   B 1 96  ? -0.048 4.541   -32.227 1 42.344 ? 108 LYS   A HD3  1 c 2 
ATOM   3265 H HE2  . LYS   B 1 96  ? -0.79  5.565   -34.181 1 47.091 ? 108 LYS   A HE2  1 c 2 
ATOM   3266 H HE3  . LYS   B 1 96  ? 0.683  5.95    -34.609 1 45.76  ? 108 LYS   A HE3  1 c 2 
ATOM   3267 H HZ1  . LYS   B 1 96  ? -0.246 3.373   -34.469 1 52.084 ? 108 LYS   A HZ1  1 c 2 
ATOM   3268 H HZ2  . LYS   B 1 96  ? 1.128  3.729   -34.873 1 50.735 ? 108 LYS   A HZ2  1 c 2 
ATOM   3269 H HZ3  . LYS   B 1 96  ? -0.018 4.099   -35.733 1 52.075 ? 108 LYS   A HZ3  1 c 2 
ATOM   3270 N N    . PRO   B 1 97  ? 0.917  6.9     -27.476 1 35.891 ? 109 PRO   A N    1 ? 2 
ATOM   3271 C CA   . PRO   B 1 97  ? 1.123  6.784   -26.029 1 35.577 ? 109 PRO   A CA   1 ? 2 
ATOM   3272 C C    . PRO   B 1 97  ? 2.28   5.856   -25.639 1 36.611 ? 109 PRO   A C    1 ? 2 
ATOM   3273 O O    . PRO   B 1 97  ? 3.025  6.147   -24.711 1 33.242 ? 109 PRO   A O    1 ? 2 
ATOM   3274 C CB   . PRO   B 1 97  ? -0.199 6.298   -25.492 1 37.243 ? 109 PRO   A CB   1 ? 2 
ATOM   3275 C CG   . PRO   B 1 97  ? -1.207 6.247   -26.64  1 35.984 ? 109 PRO   A CG   1 ? 2 
ATOM   3276 C CD   . PRO   B 1 97  ? -0.502 6.786   -27.831 1 38.241 ? 109 PRO   A CD   1 ? 2 
ATOM   3277 H HA   . PRO   B 1 97  ? 1.301  7.69    -25.672 1 35.092 ? 109 PRO   A HA   1 c 2 
ATOM   3278 H HB2  . PRO   B 1 97  ? -0.098 5.403   -25.09  1 37.748 ? 109 PRO   A HB2  1 c 2 
ATOM   3279 H HB3  . PRO   B 1 97  ? -0.522 6.903   -24.784 1 36.814 ? 109 PRO   A HB3  1 c 2 
ATOM   3280 H HG2  . PRO   B 1 97  ? -1.499 5.325   -26.802 1 38.274 ? 109 PRO   A HG2  1 c 2 
ATOM   3281 H HG3  . PRO   B 1 97  ? -1.995 6.791   -26.433 1 37.452 ? 109 PRO   A HG3  1 c 2 
ATOM   3282 H HD2  . PRO   B 1 97  ? -0.621 6.183   -28.595 1 37.67  ? 109 PRO   A HD2  1 c 2 
ATOM   3283 H HD3  . PRO   B 1 97  ? -0.867 7.666   -28.073 1 36.726 ? 109 PRO   A HD3  1 c 2 
ATOM   3284 N N    . GLU   B 1 98  ? 2.54   4.827   -26.446 1 35.905 ? 110 GLU   A N    1 ? 2 
ATOM   3285 C CA   . GLU   B 1 98  ? 3.583  3.84    -26.152 1 35.615 ? 110 GLU   A CA   1 ? 2 
ATOM   3286 C C    . GLU   B 1 98  ? 4.955  4.513   -26.14  1 33.786 ? 110 GLU   A C    1 ? 2 
ATOM   3287 O O    . GLU   B 1 98  ? 5.844  3.996   -25.484 1 33.694 ? 110 GLU   A O    1 ? 2 
ATOM   3288 C CB   . GLU   B 1 98  ? 3.57   2.706   -27.194 1 38.987 ? 110 GLU   A CB   1 ? 2 
ATOM   3289 C CG   . GLU   B 1 98  ? 2.257  1.936   -27.22  1 46.686 ? 110 GLU   A CG   1 ? 2 
ATOM   3290 C CD   . GLU   B 1 98  ? 0.925  2.578   -27.665 1 50.158 ? 110 GLU   A CD   1 ? 2 
ATOM   3291 O OE1  . GLU   B 1 98  ? 0.933  3.467   -28.566 1 36.511 ? 110 GLU   A OE1  1 ? 2 
ATOM   3292 O OE2  . GLU   B 1 98  ? -0.131 2.106   -27.152 1 52.495 ? 110 GLU   A OE2  1 ? 2 
ATOM   3293 H H    . GLU   B 1 98  ? 2.062  4.739   -27.218 1 36.263 ? 110 GLU   A H    1 c 2 
ATOM   3294 H HA   . GLU   B 1 98  ? 3.408  3.458   -25.255 1 37.01  ? 110 GLU   A HA   1 c 2 
ATOM   3295 H HB2  . GLU   B 1 98  ? 3.735  3.089   -28.08  1 39.004 ? 110 GLU   A HB2  1 c 2 
ATOM   3296 H HB3  . GLU   B 1 98  ? 4.302  2.085   -26.995 1 40.424 ? 110 GLU   A HB3  1 c 2 
ATOM   3297 H HG2  . GLU   B 1 98  ? 2.394  1.148   -27.788 1 47.059 ? 110 GLU   A HG2  1 c 2 
ATOM   3298 H HG3  . GLU   B 1 98  ? 2.111  1.581   -26.317 1 46.819 ? 110 GLU   A HG3  1 c 2 
ATOM   3299 N N    . TYR   B 1 99  ? 5.136  5.643   -26.839 1 31.154 ? 111 TYR   A N    1 ? 2 
ATOM   3300 C CA   . TYR   B 1 99  ? 6.415  6.347   -26.917 1 28.506 ? 111 TYR   A CA   1 ? 2 
ATOM   3301 C C    . TYR   B 1 99  ? 6.427  7.639   -26.05  1 27.12  ? 111 TYR   A C    1 ? 2 
ATOM   3302 O O    . TYR   B 1 99  ? 7.342  8.462   -26.108 1 28.925 ? 111 TYR   A O    1 ? 2 
ATOM   3303 C CB   . TYR   B 1 99  ? 6.757  6.637   -28.369 1 31.108 ? 111 TYR   A CB   1 ? 2 
ATOM   3304 C CG   . TYR   B 1 99  ? 7.07   5.371   -29.16  1 31.436 ? 111 TYR   A CG   1 ? 2 
ATOM   3305 C CD1  . TYR   B 1 99  ? 6.067  4.561   -29.679 1 33.241 ? 111 TYR   A CD1  1 ? 2 
ATOM   3306 C CD2  . TYR   B 1 99  ? 8.371  4.904   -29.262 1 31.1   ? 111 TYR   A CD2  1 ? 2 
ATOM   3307 C CE1  . TYR   B 1 99  ? 6.364  3.438   -30.414 1 32.769 ? 111 TYR   A CE1  1 ? 2 
ATOM   3308 C CE2  . TYR   B 1 99  ? 8.684  3.771   -29.946 1 33.018 ? 111 TYR   A CE2  1 ? 2 
ATOM   3309 C CZ   . TYR   B 1 99  ? 7.676  3.02    -30.526 1 34.474 ? 111 TYR   A CZ   1 ? 2 
ATOM   3310 O OH   . TYR   B 1 99  ? 7.946  1.85    -31.168 1 38.88  ? 111 TYR   A OH   1 ? 2 
ATOM   3311 H H    . TYR   B 1 99  ? 4.43   5.987   -27.307 1 30.843 ? 111 TYR   A H    1 c 2 
ATOM   3312 H HA   . TYR   B 1 99  ? 7.117  5.741   -26.561 1 29.934 ? 111 TYR   A HA   1 c 2 
ATOM   3313 H HB2  . TYR   B 1 99  ? 5.996  7.098   -28.786 1 29.843 ? 111 TYR   A HB2  1 c 2 
ATOM   3314 H HB3  . TYR   B 1 99  ? 7.536  7.235   -28.398 1 29.516 ? 111 TYR   A HB3  1 c 2 
ATOM   3315 H HD1  . TYR   B 1 99  ? 5.171  4.854   -29.633 1 32.451 ? 111 TYR   A HD1  1 c 2 
ATOM   3316 H HD2  . TYR   B 1 99  ? 9.071  5.418   -28.89  1 30.871 ? 111 TYR   A HD2  1 c 2 
ATOM   3317 H HE1  . TYR   B 1 99  ? 5.67   2.913   -30.774 1 34.508 ? 111 TYR   A HE1  1 c 2 
ATOM   3318 H HE2  . TYR   B 1 99  ? 9.581  3.494   -30.02  1 33.533 ? 111 TYR   A HE2  1 c 2 
ATOM   3319 H HH   . TYR   B 1 99  ? 8.076  2.002   -32.005 0 30     ? 111 TYR   A HH   1 c 2 
ATOM   3320 N N    . ALA   B 1 100 ? 5.415  7.772   -25.207 1 29.331 ? 112 ALA   A N    1 ? 2 
ATOM   3321 C CA   . ALA   B 1 100 ? 5.203  8.981   -24.4   1 29.498 ? 112 ALA   A CA   1 ? 2 
ATOM   3322 C C    . ALA   B 1 100 ? 4.935  8.508   -22.981 1 30.952 ? 112 ALA   A C    1 ? 2 
ATOM   3323 O O    . ALA   B 1 100 ? 5.879  8.002   -22.352 1 32.621 ? 112 ALA   A O    1 ? 2 
ATOM   3324 C CB   . ALA   B 1 100 ? 4.107  9.858   -24.966 1 31.226 ? 112 ALA   A CB   1 ? 2 
ATOM   3325 H H    . ALA   B 1 100 ? 4.822  7.084   -25.113 1 29.793 ? 112 ALA   A H    1 c 2 
ATOM   3326 H HA   . ALA   B 1 100 ? 6.052  9.5     -24.39  1 29.294 ? 112 ALA   A HA   1 c 2 
ATOM   3327 H HB1  . ALA   B 1 100 ? 4.416  10.276  -25.787 1 29.904 ? 112 ALA   A HB1  1 c 2 
ATOM   3328 H HB2  . ALA   B 1 100 ? 3.322  9.318   -25.157 1 31.087 ? 112 ALA   A HB2  1 c 2 
ATOM   3329 H HB3  . ALA   B 1 100 ? 3.875  10.549  -24.323 1 30.687 ? 112 ALA   A HB3  1 c 2 
ATOM   3330 N N    . TYR   B 1 101 ? 3.702  8.64    -22.447 1 28.626 ? 113 TYR   A N    1 ? 2 
ATOM   3331 C CA   . TYR   B 1 101 ? 3.456  8.256   -21.066 1 35.105 ? 113 TYR   A CA   1 ? 2 
ATOM   3332 C C    . TYR   B 1 101 ? 2.575  7.019   -20.939 1 34.289 ? 113 TYR   A C    1 ? 2 
ATOM   3333 O O    . TYR   B 1 101 ? 2.142  6.664   -19.856 1 33.264 ? 113 TYR   A O    1 ? 2 
ATOM   3334 C CB   . TYR   B 1 101 ? 2.831  9.437   -20.333 1 36.738 ? 113 TYR   A CB   1 ? 2 
ATOM   3335 C CG   . TYR   B 1 101 ? 3.781  10.612  -20.25  1 35.903 ? 113 TYR   A CG   1 ? 2 
ATOM   3336 C CD1  . TYR   B 1 101 ? 4.833  10.644  -19.346 1 31.535 ? 113 TYR   A CD1  1 ? 2 
ATOM   3337 C CD2  . TYR   B 1 101 ? 3.732  11.608  -21.225 1 30.055 ? 113 TYR   A CD2  1 ? 2 
ATOM   3338 C CE1  . TYR   B 1 101 ? 5.671  11.73   -19.251 1 30.183 ? 113 TYR   A CE1  1 ? 2 
ATOM   3339 C CE2  . TYR   B 1 101 ? 4.606  12.652  -21.188 1 29.337 ? 113 TYR   A CE2  1 ? 2 
ATOM   3340 C CZ   . TYR   B 1 101 ? 5.536  12.772  -20.16  1 28.829 ? 113 TYR   A CZ   1 ? 2 
ATOM   3341 O OH   . TYR   B 1 101 ? 6.461  13.736  -20.203 1 28.894 ? 113 TYR   A OH   1 ? 2 
ATOM   3342 H H    . TYR   B 1 101 ? 3.01   8.964   -22.948 1 30.126 ? 113 TYR   A H    1 c 2 
ATOM   3343 H HA   . TYR   B 1 101 ? 4.328  8.057   -20.637 1 34.195 ? 113 TYR   A HA   1 c 2 
ATOM   3344 H HB2  . TYR   B 1 101 ? 2.016  9.712   -20.808 1 36.166 ? 113 TYR   A HB2  1 c 2 
ATOM   3345 H HB3  . TYR   B 1 101 ? 2.586  9.156   -19.423 1 37.713 ? 113 TYR   A HB3  1 c 2 
ATOM   3346 H HD1  . TYR   B 1 101 ? 4.87   9.985   -18.672 1 33.497 ? 113 TYR   A HD1  1 c 2 
ATOM   3347 H HD2  . TYR   B 1 101 ? 3.054  11.589  -21.882 1 30.631 ? 113 TYR   A HD2  1 c 2 
ATOM   3348 H HE1  . TYR   B 1 101 ? 6.351  11.753  -18.6   1 31.213 ? 113 TYR   A HE1  1 c 2 
ATOM   3349 H HE2  . TYR   B 1 101 ? 4.524  13.346  -21.819 1 28.557 ? 113 TYR   A HE2  1 c 2 
ATOM   3350 H HH   . TYR   B 1 101 ? 7.079  13.522  -20.761 0 30     ? 113 TYR   A HH   1 c 2 
ATOM   3351 N N    . GLY   B 1 102 ? 2.28   6.324   -22.057 1 33.533 ? 114 GLY   A N    1 ? 2 
ATOM   3352 C CA   . GLY   B 1 102 ? 1.716  4.986   -21.959 1 34.33  ? 114 GLY   A CA   1 ? 2 
ATOM   3353 C C    . GLY   B 1 102 ? 0.287  4.858   -21.416 1 36.64  ? 114 GLY   A C    1 ? 2 
ATOM   3354 O O    . GLY   B 1 102 ? -0.502 5.798   -21.357 1 38.509 ? 114 GLY   A O    1 ? 2 
ATOM   3355 H H    . GLY   B 1 102 ? 2.426  6.689   -22.882 1 32.338 ? 114 GLY   A H    1 c 2 
ATOM   3356 H HA2  . GLY   B 1 102 ? 1.741  4.582   -22.858 1 34.43  ? 114 GLY   A HA2  1 c 2 
ATOM   3357 H HA3  . GLY   B 1 102 ? 2.313  4.449   -21.387 1 35.579 ? 114 GLY   A HA3  1 c 2 
ATOM   3358 N N    . SER   B 1 103 ? -0.047 3.644   -20.972 1 41.378 ? 115 SER   A N    1 ? 2 
ATOM   3359 C CA   . SER   B 1 103 ? -1.39  3.393   -20.46  1 46.485 ? 115 SER   A CA   1 ? 2 
ATOM   3360 C C    . SER   B 1 103 ? -1.566 4.026   -19.104 1 46.293 ? 115 SER   A C    1 ? 2 
ATOM   3361 O O    . SER   B 1 103 ? -2.675 4.363   -18.737 1 45.828 ? 115 SER   A O    1 ? 2 
ATOM   3362 C CB   . SER   B 1 103 ? -1.815 1.924   -20.402 1 50.902 ? 115 SER   A CB   1 ? 2 
ATOM   3363 O OG   . SER   B 1 103 ? -0.809 1.084   -19.89  1 56.281 ? 115 SER   A OG   1 ? 2 
ATOM   3364 H H    . SER   B 1 103 ? 0.562  2.962   -20.988 1 41.807 ? 115 SER   A H    1 c 2 
ATOM   3365 H HA   . SER   B 1 103 ? -2.02  3.85    -21.071 1 45.173 ? 115 SER   A HA   1 c 2 
ATOM   3366 H HB2  . SER   B 1 103 ? -2.613 1.843   -19.844 1 52.86  ? 115 SER   A HB2  1 c 2 
ATOM   3367 H HB3  . SER   B 1 103 ? -2.051 1.626   -21.301 1 51.092 ? 115 SER   A HB3  1 c 2 
ATOM   3368 H HG   . SER   B 1 103 ? -1.113 0.288   -19.891 0 30     ? 115 SER   A HG   1 c 2 
ATOM   3369 N N    . ALA   B 1 104 ? -0.467 4.147   -18.333 1 48.734 ? 116 ALA   A N    1 ? 2 
ATOM   3370 C CA   . ALA   B 1 104 ? -0.607 4.655   -16.988 1 47.616 ? 116 ALA   A CA   1 ? 2 
ATOM   3371 C C    . ALA   B 1 104 ? -0.815 6.169   -17.016 1 41.419 ? 116 ALA   A C    1 ? 2 
ATOM   3372 O O    . ALA   B 1 104 ? -1.401 6.761   -16.078 1 39.824 ? 116 ALA   A O    1 ? 2 
ATOM   3373 C CB   . ALA   B 1 104 ? 0.628  4.233   -16.169 1 50.162 ? 116 ALA   A CB   1 ? 2 
ATOM   3374 H H    . ALA   B 1 104 ? 0.359  3.909   -18.644 1 46.76  ? 116 ALA   A H    1 c 2 
ATOM   3375 H HA   . ALA   B 1 104 ? -1.418 4.239   -16.582 1 49.164 ? 116 ALA   A HA   1 c 2 
ATOM   3376 H HB1  . ALA   B 1 104 ? 0.693  3.263   -16.151 1 50.941 ? 116 ALA   A HB1  1 c 2 
ATOM   3377 H HB2  . ALA   B 1 104 ? 1.431  4.601   -16.575 1 48.118 ? 116 ALA   A HB2  1 c 2 
ATOM   3378 H HB3  . ALA   B 1 104 ? 0.547  4.566   -15.26  1 50.94  ? 116 ALA   A HB3  1 c 2 
ATOM   3379 N N    . GLY   B 1 105 ? -0.237 6.798   -18.035 1 41.229 ? 117 GLY   A N    1 ? 2 
ATOM   3380 C CA   . GLY   B 1 105 ? -0.216 8.244   -18.115 1 43.628 ? 117 GLY   A CA   1 ? 2 
ATOM   3381 C C    . GLY   B 1 105 ? 0.697  8.86    -17.07  1 40.51  ? 117 GLY   A C    1 ? 2 
ATOM   3382 O O    . GLY   B 1 105 ? 1.617  8.21    -16.56  1 40.216 ? 117 GLY   A O    1 ? 2 
ATOM   3383 H H    . GLY   B 1 105 ? 0.166  6.316   -18.699 1 40.684 ? 117 GLY   A H    1 c 2 
ATOM   3384 H HA2  . GLY   B 1 105 ? 0.09   8.51    -19.013 1 40.305 ? 117 GLY   A HA2  1 c 2 
ATOM   3385 H HA3  . GLY   B 1 105 ? -1.133 8.585   -17.994 1 42.448 ? 117 GLY   A HA3  1 c 2 
ATOM   3386 N N    . SER   B 1 106 ? 0.368  10.089  -16.69  1 36.994 ? 118 SER   A N    1 ? 2 
ATOM   3387 C CA   . SER   B 1 106 ? 1.178  10.832  -15.742 1 37.795 ? 118 SER   A CA   1 ? 2 
ATOM   3388 C C    . SER   B 1 106 ? 0.231  11.818  -15.127 1 38.861 ? 118 SER   A C    1 ? 2 
ATOM   3389 O O    . SER   B 1 106 ? 0.375  13.021  -15.294 1 39.208 ? 118 SER   A O    1 ? 2 
ATOM   3390 C CB   . SER   B 1 106 ? 2.378  11.532  -16.317 1 33.854 ? 118 SER   A CB   1 ? 2 
ATOM   3391 O OG   . SER   B 1 106 ? 3.141  12.076  -15.226 1 39.324 ? 118 SER   A OG   1 ? 2 
ATOM   3392 H H    . SER   B 1 106 ? -0.382 10.483  -17.035 1 37.768 ? 118 SER   A H    1 c 2 
ATOM   3393 H HA   . SER   B 1 106 ? 1.484  10.21   -15.034 1 38.635 ? 118 SER   A HA   1 c 2 
ATOM   3394 H HB2  . SER   B 1 106 ? 2.922  10.896  -16.819 1 34.295 ? 118 SER   A HB2  1 c 2 
ATOM   3395 H HB3  . SER   B 1 106 ? 2.093  12.248  -16.916 1 34.289 ? 118 SER   A HB3  1 c 2 
ATOM   3396 H HG   . SER   B 1 106 ? 3.822  12.469  -15.544 0 30     ? 118 SER   A HG   1 c 2 
ATOM   3397 N N    . LEU   B 1 107 ? -0.701 11.251  -14.38  1 40.229 ? 119 LEU   A N    1 ? 2 
ATOM   3398 C CA   . LEU   B 1 107 ? -1.799 12.035  -13.858 1 42.678 ? 119 LEU   A CA   1 ? 2 
ATOM   3399 C C    . LEU   B 1 107 ? -1.313 12.936  -12.745 1 45.186 ? 119 LEU   A C    1 ? 2 
ATOM   3400 O O    . LEU   B 1 107 ? -0.519 12.508  -11.924 1 46.212 ? 119 LEU   A O    1 ? 2 
ATOM   3401 C CB   . LEU   B 1 107 ? -2.927 11.111  -13.46  1 44.509 ? 119 LEU   A CB   1 ? 2 
ATOM   3402 C CG   . LEU   B 1 107 ? -3.713 10.626  -14.685 1 46.762 ? 119 LEU   A CG   1 ? 2 
ATOM   3403 C CD1  . LEU   B 1 107 ? -4.301 9.287   -14.42  1 53.59  ? 119 LEU   A CD1  1 ? 2 
ATOM   3404 C CD2  . LEU   B 1 107 ? -4.728 11.713  -15.126 1 43.921 ? 119 LEU   A CD2  1 ? 2 
ATOM   3405 H H    . LEU   B 1 107 ? -0.655 10.359  -14.186 1 41.183 ? 119 LEU   A H    1 c 2 
ATOM   3406 H HA   . LEU   B 1 107 ? -2.117 12.611  -14.595 1 41.536 ? 119 LEU   A HA   1 c 2 
ATOM   3407 H HB2  . LEU   B 1 107 ? -2.549 10.332  -12.991 1 46.185 ? 119 LEU   A HB2  1 c 2 
ATOM   3408 H HB3  . LEU   B 1 107 ? -3.538 11.595  -12.858 1 47.12  ? 119 LEU   A HB3  1 c 2 
ATOM   3409 H HG   . LEU   B 1 107 ? -3.067 10.514  -15.43  1 44.287 ? 119 LEU   A HG   1 c 2 
ATOM   3410 H HD11 . LEU   B 1 107 ? -3.588 8.64    -14.285 1 51.645 ? 119 LEU   A HD11 1 c 2 
ATOM   3411 H HD12 . LEU   B 1 107 ? -4.844 9.014   -15.179 1 51.288 ? 119 LEU   A HD12 1 c 2 
ATOM   3412 H HD13 . LEU   B 1 107 ? -4.856 9.327   -13.623 1 54.06  ? 119 LEU   A HD13 1 c 2 
ATOM   3413 H HD21 . LEU   B 1 107 ? -4.249 12.492  -15.455 1 43.523 ? 119 LEU   A HD21 1 c 2 
ATOM   3414 H HD22 . LEU   B 1 107 ? -5.281 11.969  -14.369 1 46.781 ? 119 LEU   A HD22 1 c 2 
ATOM   3415 H HD23 . LEU   B 1 107 ? -5.294 11.361  -15.834 1 44.294 ? 119 LEU   A HD23 1 c 2 
ATOM   3416 N N    . PRO   B 1 108 ? -1.924 14.124  -12.571 1 46.892 ? 120 PRO   A N    1 ? 2 
ATOM   3417 C CA   . PRO   B 1 108 ? -3.063 14.566  -13.375 1 44.982 ? 120 PRO   A CA   1 ? 2 
ATOM   3418 C C    . PRO   B 1 108 ? -2.702 15.264  -14.678 1 41.474 ? 120 PRO   A C    1 ? 2 
ATOM   3419 O O    . PRO   B 1 108 ? -3.597 15.588  -15.437 1 45.189 ? 120 PRO   A O    1 ? 2 
ATOM   3420 C CB   . PRO   B 1 108 ? -3.785 15.59   -12.484 1 47.705 ? 120 PRO   A CB   1 ? 2 
ATOM   3421 C CG   . PRO   B 1 108 ? -2.965 15.731  -11.275 1 48.966 ? 120 PRO   A CG   1 ? 2 
ATOM   3422 C CD   . PRO   B 1 108 ? -1.683 15.024  -11.468 1 46.385 ? 120 PRO   A CD   1 ? 2 
ATOM   3423 H HA   . PRO   B 1 108 ? -3.665 13.804  -13.553 1 45.215 ? 120 PRO   A HA   1 c 2 
ATOM   3424 H HB2  . PRO   B 1 108 ? -3.873 16.457  -12.945 1 47.186 ? 120 PRO   A HB2  1 c 2 
ATOM   3425 H HB3  . PRO   B 1 108 ? -4.689 15.271  -12.253 1 49.08  ? 120 PRO   A HB3  1 c 2 
ATOM   3426 H HG2  . PRO   B 1 108 ? -2.797 16.68   -11.094 1 49.655 ? 120 PRO   A HG2  1 c 2 
ATOM   3427 H HG3  . PRO   B 1 108 ? -3.439 15.356  -10.504 1 51.132 ? 120 PRO   A HG3  1 c 2 
ATOM   3428 H HD2  . PRO   B 1 108 ? -0.967 15.66   -11.682 1 46.393 ? 120 PRO   A HD2  1 c 2 
ATOM   3429 H HD3  . PRO   B 1 108 ? -1.434 14.529  -10.656 1 48.763 ? 120 PRO   A HD3  1 c 2 
ATOM   3430 N N    . LYS   B 1 109 ? -1.427 15.571  -14.916 1 41.182 ? 121 LYS   A N    1 ? 2 
ATOM   3431 C CA   . LYS   B 1 109 ? -1.069 16.403  -16.049 1 43.747 ? 121 LYS   A CA   1 ? 2 
ATOM   3432 C C    . LYS   B 1 109 ? -1.329 15.665  -17.373 1 42.334 ? 121 LYS   A C    1 ? 2 
ATOM   3433 O O    . LYS   B 1 109 ? -1.72  16.294  -18.355 1 39.29  ? 121 LYS   A O    1 ? 2 
ATOM   3434 C CB   . LYS   B 1 109 ? 0.405  16.802  -16.003 1 48.251 ? 121 LYS   A CB   1 ? 2 
ATOM   3435 C CG   . LYS   B 1 109 ? 0.834  17.745  -17.146 1 46.366 ? 121 LYS   A CG   1 ? 2 
ATOM   3436 C CD   . LYS   B 1 109 ? 2.274  18.225  -17.061 1 58.112 ? 121 LYS   A CD   1 ? 2 
ATOM   3437 C CE   . LYS   B 1 109 ? 2.648  19.08   -15.839 1 61.188 ? 121 LYS   A CE   1 ? 2 
ATOM   3438 N NZ   . LYS   B 1 109 ? 2.039  20.407  -15.913 1 68.596 ? 121 LYS   A NZ   1 ? 2 
ATOM   3439 H H    . LYS   B 1 109 ? -0.767 15.258  -14.367 1 42.137 ? 121 LYS   A H    1 c 2 
ATOM   3440 H HA   . LYS   B 1 109 ? -1.625 17.223  -16.026 1 44.763 ? 121 LYS   A HA   1 c 2 
ATOM   3441 H HB2  . LYS   B 1 109 ? 0.586  17.245  -15.147 1 48.573 ? 121 LYS   A HB2  1 c 2 
ATOM   3442 H HB3  . LYS   B 1 109 ? 0.956  15.991  -16.043 1 45.989 ? 121 LYS   A HB3  1 c 2 
ATOM   3443 H HG2  . LYS   B 1 109 ? 0.709  17.277  -18     1 47.337 ? 121 LYS   A HG2  1 c 2 
ATOM   3444 H HG3  . LYS   B 1 109 ? 0.238  18.525  -17.145 1 49.97  ? 121 LYS   A HG3  1 c 2 
ATOM   3445 H HD2  . LYS   B 1 109 ? 2.857  17.436  -17.079 1 53.989 ? 121 LYS   A HD2  1 c 2 
ATOM   3446 H HD3  . LYS   B 1 109 ? 2.469  18.742  -17.872 1 53.883 ? 121 LYS   A HD3  1 c 2 
ATOM   3447 H HE2  . LYS   B 1 109 ? 2.355  18.639  -15.022 1 63.368 ? 121 LYS   A HE2  1 c 2 
ATOM   3448 H HE3  . LYS   B 1 109 ? 3.616  19.18   -15.797 1 61.706 ? 121 LYS   A HE3  1 c 2 
ATOM   3449 H HZ1  . LYS   B 1 109 ? 1.136  20.332  -15.877 1 67.048 ? 121 LYS   A HZ1  1 c 2 
ATOM   3450 H HZ2  . LYS   B 1 109 ? 2.274  20.81   -16.69  1 65.582 ? 121 LYS   A HZ2  1 c 2 
ATOM   3451 H HZ3  . LYS   B 1 109 ? 2.323  20.913  -15.217 1 68.199 ? 121 LYS   A HZ3  1 c 2 
ATOM   3452 N N    . ILE   B 1 110 ? -1.041 14.354  -17.436 1 37.499 ? 122 ILE   A N    1 ? 2 
ATOM   3453 C CA   . ILE   B 1 110 ? -1.178 13.65   -18.714 1 36.773 ? 122 ILE   A CA   1 ? 2 
ATOM   3454 C C    . ILE   B 1 110 ? -2.104 12.462  -18.49  1 39.124 ? 122 ILE   A C    1 ? 2 
ATOM   3455 O O    . ILE   B 1 110 ? -1.765 11.551  -17.718 1 37.378 ? 122 ILE   A O    1 ? 2 
ATOM   3456 C CB   . ILE   B 1 110 ? 0.183  13.156  -19.255 1 32.179 ? 122 ILE   A CB   1 ? 2 
ATOM   3457 C CG1  . ILE   B 1 110 ? 1.309  14.163  -19.316 1 35.691 ? 122 ILE   A CG1  1 ? 2 
ATOM   3458 C CG2  . ILE   B 1 110 ? 0      12.406  -20.595 1 32.246 ? 122 ILE   A CG2  1 ? 2 
ATOM   3459 C CD1  . ILE   B 1 110 ? 1.072  15.316  -20.232 1 34.765 ? 122 ILE   A CD1  1 ? 2 
ATOM   3460 H H    . ILE   B 1 110 ? -0.758 13.899  -16.696 1 39.4   ? 122 ILE   A H    1 c 2 
ATOM   3461 H HA   . ILE   B 1 110 ? -1.577 14.25   -19.37  1 36.069 ? 122 ILE   A HA   1 c 2 
ATOM   3462 H HB   . ILE   B 1 110 ? 0.483  12.479  -18.617 1 34.303 ? 122 ILE   A HB   1 c 2 
ATOM   3463 H HG12 . ILE   B 1 110 ? 1.467  14.509  -18.414 1 35.665 ? 122 ILE   A HG12 1 c 2 
ATOM   3464 H HG13 . ILE   B 1 110 ? 2.124  13.701  -19.602 1 33.6   ? 122 ILE   A HG13 1 c 2 
ATOM   3465 H HG21 . ILE   B 1 110 ? 0.852  12.357  -21.06  1 30.73  ? 122 ILE   A HG21 1 c 2 
ATOM   3466 H HG22 . ILE   B 1 110 ? -0.642 12.881  -21.149 1 31.802 ? 122 ILE   A HG22 1 c 2 
ATOM   3467 H HG23 . ILE   B 1 110 ? -0.325 11.506  -20.424 1 32.394 ? 122 ILE   A HG23 1 c 2 
ATOM   3468 H HD11 . ILE   B 1 110 ? 0.951  14.993  -21.145 1 33.878 ? 122 ILE   A HD11 1 c 2 
ATOM   3469 H HD12 . ILE   B 1 110 ? 1.842  15.914  -20.201 1 34.565 ? 122 ILE   A HD12 1 c 2 
ATOM   3470 H HD13 . ILE   B 1 110 ? 0.273  15.801  -19.952 1 35.947 ? 122 ILE   A HD13 1 c 2 
ATOM   3471 N N    . PRO   B 1 111 ? -3.213 12.321  -19.248 1 39.23  ? 123 PRO   A N    1 ? 2 
ATOM   3472 C CA   . PRO   B 1 111 ? -4.112 11.185  -19.088 1 40.357 ? 123 PRO   A CA   1 ? 2 
ATOM   3473 C C    . PRO   B 1 111 ? -3.513 9.916   -19.663 1 37.405 ? 123 PRO   A C    1 ? 2 
ATOM   3474 O O    . PRO   B 1 111 ? -2.494 9.906   -20.365 1 36.203 ? 123 PRO   A O    1 ? 2 
ATOM   3475 C CB   . PRO   B 1 111 ? -5.415 11.598  -19.816 1 44.331 ? 123 PRO   A CB   1 ? 2 
ATOM   3476 C CG   . PRO   B 1 111 ? -5.052 12.74   -20.7   1 44.873 ? 123 PRO   A CG   1 ? 2 
ATOM   3477 C CD   . PRO   B 1 111 ? -3.716 13.299  -20.222 1 45.619 ? 123 PRO   A CD   1 ? 2 
ATOM   3478 H HA   . PRO   B 1 111 ? -4.3   11.06   -18.124 1 42.032 ? 123 PRO   A HA   1 c 2 
ATOM   3479 H HB2  . PRO   B 1 111 ? -5.77  10.848  -20.347 1 43.993 ? 123 PRO   A HB2  1 c 2 
ATOM   3480 H HB3  . PRO   B 1 111 ? -6.104 11.87   -19.166 1 45.672 ? 123 PRO   A HB3  1 c 2 
ATOM   3481 H HG2  . PRO   B 1 111 ? -4.977 12.438  -21.63  1 43.845 ? 123 PRO   A HG2  1 c 2 
ATOM   3482 H HG3  . PRO   B 1 111 ? -5.742 13.434  -20.658 1 45.857 ? 123 PRO   A HG3  1 c 2 
ATOM   3483 H HD2  . PRO   B 1 111 ? -3.091 13.395  -20.974 1 41.885 ? 123 PRO   A HD2  1 c 2 
ATOM   3484 H HD3  . PRO   B 1 111 ? -3.84  14.178  -19.801 1 44.117 ? 123 PRO   A HD3  1 c 2 
ATOM   3485 N N    . SER   B 1 112 ? -4.207 8.844   -19.321 1 38.538 ? 124 SER   A N    1 ? 2 
ATOM   3486 C CA   . SER   B 1 112 ? -3.988 7.534   -19.88  1 39.697 ? 124 SER   A CA   1 ? 2 
ATOM   3487 C C    . SER   B 1 112 ? -4.076 7.661   -21.399 1 36.753 ? 124 SER   A C    1 ? 2 
ATOM   3488 O O    . SER   B 1 112 ? -5.009 8.305   -21.869 1 35.111 ? 124 SER   A O    1 ? 2 
ATOM   3489 C CB   . SER   B 1 112 ? -5.07  6.626   -19.366 1 45.941 ? 124 SER   A CB   1 ? 2 
ATOM   3490 O OG   . SER   B 1 112 ? -4.669 5.291   -19.583 1 58.225 ? 124 SER   A OG   1 ? 2 
ATOM   3491 H H    . SER   B 1 112 ? -4.866 8.939   -18.695 1 40.584 ? 124 SER   A H    1 c 2 
ATOM   3492 H HA   . SER   B 1 112 ? -3.096 7.196   -19.612 1 39.326 ? 124 SER   A HA   1 c 2 
ATOM   3493 H HB2  . SER   B 1 112 ? -5.206 6.778   -18.412 1 48.502 ? 124 SER   A HB2  1 c 2 
ATOM   3494 H HB3  . SER   B 1 112 ? -5.906 6.804   -19.838 1 47.665 ? 124 SER   A HB3  1 c 2 
ATOM   3495 H HG   . SER   B 1 112 ? -5.282 4.78    -19.297 0 30     ? 124 SER   A HG   1 c 2 
ATOM   3496 N N    . ASN   B 1 113 ? -3.18  6.957   -22.077 1 34.701 ? 125 ASN   A N    1 ? 2 
ATOM   3497 C CA   . ASN   B 1 113 ? -3.332 6.653   -23.495 1 35.197 ? 125 ASN   A CA   1 ? 2 
ATOM   3498 C C    . ASN   B 1 113 ? -3.351 7.974   -24.291 1 35.526 ? 125 ASN   A C    1 ? 2 
ATOM   3499 O O    . ASN   B 1 113 ? -4.025 8.052   -25.331 1 33.755 ? 125 ASN   A O    1 ? 2 
ATOM   3500 C CB   . ASN   B 1 113 ? -4.532 5.749   -23.693 1 38.351 ? 125 ASN   A CB   1 ? 2 
ATOM   3501 C CG   . ASN   B 1 113 ? -4.399 4.367   -23.066 1 38.578 ? 125 ASN   A CG   1 ? 2 
ATOM   3502 O OD1  . ASN   B 1 113 ? -5.347 3.82    -22.497 1 42.814 ? 125 ASN   A OD1  1 ? 2 
ATOM   3503 N ND2  . ASN   B 1 113 ? -3.303 3.718   -23.346 1 39.328 ? 125 ASN   A ND2  1 ? 2 
ATOM   3504 H H    . ASN   B 1 113 ? -2.436 6.652   -21.644 1 35.041 ? 125 ASN   A H    1 c 2 
ATOM   3505 H HA   . ASN   B 1 113 ? -2.537 6.147   -23.778 1 34.916 ? 125 ASN   A HA   1 c 2 
ATOM   3506 H HB2  . ASN   B 1 113 ? -5.323 6.186   -23.32  1 38.585 ? 125 ASN   A HB2  1 c 2 
ATOM   3507 H HB3  . ASN   B 1 113 ? -4.684 5.639   -24.653 1 37.549 ? 125 ASN   A HB3  1 c 2 
ATOM   3508 H HD21 . ASN   B 1 113 ? -3.057 3.033   -22.841 1 39.966 ? 125 ASN   A HD21 1 c 2 
ATOM   3509 H HD22 . ASN   B 1 113 ? -2.813 3.947   -24.048 1 37.678 ? 125 ASN   A HD22 1 c 2 
ATOM   3510 N N    . ALA   B 1 114 ? -2.479 8.94    -23.883 1 31.439 ? 126 ALA   A N    1 ? 2 
ATOM   3511 C CA   . ALA   B 1 114 ? -2.429 10.25   -24.489 1 35.043 ? 126 ALA   A CA   1 ? 2 
ATOM   3512 C C    . ALA   B 1 114 ? -1.508 10.234  -25.706 1 29.967 ? 126 ALA   A C    1 ? 2 
ATOM   3513 O O    . ALA   B 1 114 ? -0.4   9.745   -25.625 1 29.034 ? 126 ALA   A O    1 ? 2 
ATOM   3514 C CB   . ALA   B 1 114 ? -2.063 11.32   -23.514 1 35.977 ? 126 ALA   A CB   1 ? 2 
ATOM   3515 H H    . ALA   B 1 114 ? -1.896 8.754   -23.204 1 32.972 ? 126 ALA   A H    1 c 2 
ATOM   3516 H HA   . ALA   B 1 114 ? -3.348 10.451  -24.82  1 34.315 ? 126 ALA   A HA   1 c 2 
ATOM   3517 H HB1  . ALA   B 1 114 ? -2.72  11.35   -22.799 1 36.831 ? 126 ALA   A HB1  1 c 2 
ATOM   3518 H HB2  . ALA   B 1 114 ? -1.187 11.132  -23.137 1 35.077 ? 126 ALA   A HB2  1 c 2 
ATOM   3519 H HB3  . ALA   B 1 114 ? -2.04  12.18   -23.966 1 35.264 ? 126 ALA   A HB3  1 c 2 
ATOM   3520 N N    . THR   B 1 115 ? -1.999 10.839  -26.788 1 28.181 ? 127 THR   A N    1 ? 2 
ATOM   3521 C CA   . THR   B 1 115 ? -1.206 11.246  -27.908 1 27.623 ? 127 THR   A CA   1 ? 2 
ATOM   3522 C C    . THR   B 1 115 ? -0.708 12.677  -27.736 1 26.635 ? 127 THR   A C    1 ? 2 
ATOM   3523 O O    . THR   B 1 115 ? -1.462 13.533  -27.318 1 29.203 ? 127 THR   A O    1 ? 2 
ATOM   3524 C CB   . THR   B 1 115 ? -2.06  11.082  -29.165 1 31.11  ? 127 THR   A CB   1 ? 2 
ATOM   3525 O OG1  . THR   B 1 115 ? -2.303 9.707   -29.443 1 30.139 ? 127 THR   A OG1  1 ? 2 
ATOM   3526 C CG2  . THR   B 1 115 ? -1.36  11.559  -30.414 1 35.135 ? 127 THR   A CG2  1 ? 2 
ATOM   3527 H H    . THR   B 1 115 ? -2.898 11.005  -26.818 1 29.742 ? 127 THR   A H    1 c 2 
ATOM   3528 H HA   . THR   B 1 115 ? -0.434 10.646  -27.976 1 27.357 ? 127 THR   A HA   1 c 2 
ATOM   3529 H HB   . THR   B 1 115 ? -2.918 11.558  -29.062 1 31.897 ? 127 THR   A HB   1 c 2 
ATOM   3530 H HG1  . THR   B 1 115 ? -1.548 9.304   -29.568 0 30     ? 127 THR   A HG1  1 c 2 
ATOM   3531 H HG21 . THR   B 1 115 ? -1.928 11.394  -31.186 1 34.568 ? 127 THR   A HG21 1 c 2 
ATOM   3532 H HG22 . THR   B 1 115 ? -0.524 11.078  -30.522 1 32.96  ? 127 THR   A HG22 1 c 2 
ATOM   3533 H HG23 . THR   B 1 115 ? -1.179 12.511  -30.346 1 33.404 ? 127 THR   A HG23 1 c 2 
ATOM   3534 N N    . LEU   B 1 116 ? 0.577  12.899  -28.028 1 28.531 ? 128 LEU   A N    1 ? 2 
ATOM   3535 C CA   . LEU   B 1 116 ? 1.247  14.185  -27.829 1 28.453 ? 128 LEU   A CA   1 ? 2 
ATOM   3536 C C    . LEU   B 1 116 ? 1.73   14.739  -29.161 1 28.104 ? 128 LEU   A C    1 ? 2 
ATOM   3537 O O    . LEU   B 1 116 ? 2.137  13.969  -30.051 1 26.493 ? 128 LEU   A O    1 ? 2 
ATOM   3538 C CB   . LEU   B 1 116 ? 2.445  14.062  -26.89  1 27.765 ? 128 LEU   A CB   1 ? 2 
ATOM   3539 C CG   . LEU   B 1 116 ? 2.081  14.045  -25.402 1 33.477 ? 128 LEU   A CG   1 ? 2 
ATOM   3540 C CD1  . LEU   B 1 116 ? 1.071  13.109  -24.927 1 37.451 ? 128 LEU   A CD1  1 ? 2 
ATOM   3541 C CD2  . LEU   B 1 116 ? 3.376  13.95   -24.532 1 31.794 ? 128 LEU   A CD2  1 ? 2 
ATOM   3542 H H    . LEU   B 1 116 ? 1.068  12.21   -28.374 1 27.42  ? 128 LEU   A H    1 c 2 
ATOM   3543 H HA   . LEU   B 1 116 ? 0.596  14.821  -27.439 1 28.997 ? 128 LEU   A HA   1 c 2 
ATOM   3544 H HB2  . LEU   B 1 116 ? 2.924  13.229  -27.106 1 28.381 ? 128 LEU   A HB2  1 c 2 
ATOM   3545 H HB3  . LEU   B 1 116 ? 3.051  14.821  -27.056 1 28.559 ? 128 LEU   A HB3  1 c 2 
ATOM   3546 H HG   . LEU   B 1 116 ? 1.705  14.942  -25.206 1 33.296 ? 128 LEU   A HG   1 c 2 
ATOM   3547 H HD11 . LEU   B 1 116 ? 0.187  13.436  -25.165 1 36.92  ? 128 LEU   A HD11 1 c 2 
ATOM   3548 H HD12 . LEU   B 1 116 ? 1.132  13.023  -23.961 1 36.817 ? 128 LEU   A HD12 1 c 2 
ATOM   3549 H HD13 . LEU   B 1 116 ? 1.214  12.239  -25.338 1 36.134 ? 128 LEU   A HD13 1 c 2 
ATOM   3550 H HD21 . LEU   B 1 116 ? 4      14.645  -24.802 1 31.847 ? 128 LEU   A HD21 1 c 2 
ATOM   3551 H HD22 . LEU   B 1 116 ? 3.789  13.079  -24.658 1 31.832 ? 128 LEU   A HD22 1 c 2 
ATOM   3552 H HD23 . LEU   B 1 116 ? 3.148  14.068  -23.595 1 32.835 ? 128 LEU   A HD23 1 c 2 
ATOM   3553 N N    . PHE   B 1 117 ? 1.752  16.08   -29.224 1 24.396 ? 129 PHE   A N    1 ? 2 
ATOM   3554 C CA   . PHE   B 1 117 ? 2.323  16.777  -30.356 1 26.414 ? 129 PHE   A CA   1 ? 2 
ATOM   3555 C C    . PHE   B 1 117 ? 3.407  17.757  -29.877 1 28.367 ? 129 PHE   A C    1 ? 2 
ATOM   3556 O O    . PHE   B 1 117 ? 3.186  18.495  -28.894 1 29.553 ? 129 PHE   A O    1 ? 2 
ATOM   3557 C CB   . PHE   B 1 117 ? 1.207  17.532  -31.082 1 26.708 ? 129 PHE   A CB   1 ? 2 
ATOM   3558 C CG   . PHE   B 1 117 ? 1.758  18.381  -32.227 1 30.95  ? 129 PHE   A CG   1 ? 2 
ATOM   3559 C CD1  . PHE   B 1 117 ? 1.881  17.85   -33.499 1 33.284 ? 129 PHE   A CD1  1 ? 2 
ATOM   3560 C CD2  . PHE   B 1 117 ? 2.057  19.73   -32.055 1 33.265 ? 129 PHE   A CD2  1 ? 2 
ATOM   3561 C CE1  . PHE   B 1 117 ? 2.326  18.625  -34.561 1 32.989 ? 129 PHE   A CE1  1 ? 2 
ATOM   3562 C CE2  . PHE   B 1 117 ? 2.645  20.427  -33.089 1 35.066 ? 129 PHE   A CE2  1 ? 2 
ATOM   3563 C CZ   . PHE   B 1 117 ? 2.808  19.855  -34.339 1 34.848 ? 129 PHE   A CZ   1 ? 2 
ATOM   3564 H H    . PHE   B 1 117 ? 1.399  16.57   -28.538 1 26.208 ? 129 PHE   A H    1 c 2 
ATOM   3565 H HA   . PHE   B 1 117 ? 2.727  16.118  -30.977 1 25.82  ? 129 PHE   A HA   1 c 2 
ATOM   3566 H HB2  . PHE   B 1 117 ? 0.563  16.881  -31.441 1 28.038 ? 129 PHE   A HB2  1 c 2 
ATOM   3567 H HB3  . PHE   B 1 117 ? 0.744  18.113  -30.439 1 28.313 ? 129 PHE   A HB3  1 c 2 
ATOM   3568 H HD1  . PHE   B 1 117 ? 1.62   16.956  -33.653 1 32.184 ? 129 PHE   A HD1  1 c 2 
ATOM   3569 H HD2  . PHE   B 1 117 ? 2.047  20.101  -31.187 1 33.057 ? 129 PHE   A HD2  1 c 2 
ATOM   3570 H HE1  . PHE   B 1 117 ? 2.463  18.22   -35.403 1 33.973 ? 129 PHE   A HE1  1 c 2 
ATOM   3571 H HE2  . PHE   B 1 117 ? 2.887  21.329  -32.958 1 35.465 ? 129 PHE   A HE2  1 c 2 
ATOM   3572 H HZ   . PHE   B 1 117 ? 3.093  20.386  -35.063 1 35.564 ? 129 PHE   A HZ   1 c 2 
ATOM   3573 N N    . PHE   B 1 118 ? 4.528  17.85   -30.608 1 28.7   ? 130 PHE   A N    1 ? 2 
ATOM   3574 C CA   . PHE   B 1 118 ? 5.551  18.858  -30.32  1 27.468 ? 130 PHE   A CA   1 ? 2 
ATOM   3575 C C    . PHE   B 1 118 ? 6.057  19.518  -31.56  1 29.379 ? 130 PHE   A C    1 ? 2 
ATOM   3576 O O    . PHE   B 1 118 ? 6.157  18.872  -32.617 1 29.323 ? 130 PHE   A O    1 ? 2 
ATOM   3577 C CB   . PHE   B 1 118 ? 6.792  18.282  -29.617 1 25.965 ? 130 PHE   A CB   1 ? 2 
ATOM   3578 C CG   . PHE   B 1 118 ? 6.486  17.69   -28.266 1 25.653 ? 130 PHE   A CG   1 ? 2 
ATOM   3579 C CD1  . PHE   B 1 118 ? 6.054  16.384  -28.079 1 26.931 ? 130 PHE   A CD1  1 ? 2 
ATOM   3580 C CD2  . PHE   B 1 118 ? 6.709  18.456  -27.109 1 29.823 ? 130 PHE   A CD2  1 ? 2 
ATOM   3581 C CE1  . PHE   B 1 118 ? 5.858  15.854  -26.819 1 26.791 ? 130 PHE   A CE1  1 ? 2 
ATOM   3582 C CE2  . PHE   B 1 118 ? 6.53   17.904  -25.845 1 27.791 ? 130 PHE   A CE2  1 ? 2 
ATOM   3583 C CZ   . PHE   B 1 118 ? 6.082  16.655  -25.677 1 27.077 ? 130 PHE   A CZ   1 ? 2 
ATOM   3584 H H    . PHE   B 1 118 ? 4.661  17.273  -31.304 1 27.979 ? 130 PHE   A H    1 c 2 
ATOM   3585 H HA   . PHE   B 1 118 ? 5.151  19.55   -29.734 1 28.505 ? 130 PHE   A HA   1 c 2 
ATOM   3586 H HB2  . PHE   B 1 118 ? 7.183  17.586  -30.19  1 25.67  ? 130 PHE   A HB2  1 c 2 
ATOM   3587 H HB3  . PHE   B 1 118 ? 7.456  18.999  -29.51  1 26.53  ? 130 PHE   A HB3  1 c 2 
ATOM   3588 H HD1  . PHE   B 1 118 ? 5.907  15.839  -28.836 1 26.272 ? 130 PHE   A HD1  1 c 2 
ATOM   3589 H HD2  . PHE   B 1 118 ? 7.036  19.337  -27.191 1 29.043 ? 130 PHE   A HD2  1 c 2 
ATOM   3590 H HE1  . PHE   B 1 118 ? 5.544  14.969  -26.722 1 26.572 ? 130 PHE   A HE1  1 c 2 
ATOM   3591 H HE2  . PHE   B 1 118 ? 6.668  18.448  -25.086 1 28.85  ? 130 PHE   A HE2  1 c 2 
ATOM   3592 H HZ   . PHE   B 1 118 ? 5.936  16.309  -24.811 1 27.46  ? 130 PHE   A HZ   1 c 2 
ATOM   3593 N N    . GLU   B 1 119 ? 6.368  20.815  -31.406 1 29.558 ? 131 GLU   A N    1 ? 2 
ATOM   3594 C CA   . GLU   B 1 119 ? 7.217  21.521  -32.329 1 31.754 ? 131 GLU   A CA   1 ? 2 
ATOM   3595 C C    . GLU   B 1 119 ? 8.536  21.756  -31.604 1 35.22  ? 131 GLU   A C    1 ? 2 
ATOM   3596 O O    . GLU   B 1 119 ? 8.537  22.27   -30.482 1 34.64  ? 131 GLU   A O    1 ? 2 
ATOM   3597 C CB   . GLU   B 1 119 ? 6.541  22.79   -32.834 1 31.676 ? 131 GLU   A CB   1 ? 2 
ATOM   3598 C CG   . GLU   B 1 119 ? 7.401  23.736  -33.675 1 36.872 ? 131 GLU   A CG   1 ? 2 
ATOM   3599 C CD   . GLU   B 1 119 ? 6.636  24.92   -34.137 1 37.245 ? 131 GLU   A CD   1 ? 2 
ATOM   3600 O OE1  . GLU   B 1 119 ? 5.75   24.825  -35.079 1 39.044 ? 131 GLU   A OE1  1 ? 2 
ATOM   3601 O OE2  . GLU   B 1 119 ? 6.839  26.035  -33.55  1 42.94  ? 131 GLU   A OE2  1 ? 2 
ATOM   3602 H H    . GLU   B 1 119 ? 6.028  21.272  -30.691 1 30.412 ? 131 GLU   A H    1 c 2 
ATOM   3603 H HA   . GLU   B 1 119 ? 7.384  20.934  -33.106 1 31.45  ? 131 GLU   A HA   1 c 2 
ATOM   3604 H HB2  . GLU   B 1 119 ? 5.763  22.533  -33.371 1 33.225 ? 131 GLU   A HB2  1 c 2 
ATOM   3605 H HB3  . GLU   B 1 119 ? 6.211  23.292  -32.06  1 33.314 ? 131 GLU   A HB3  1 c 2 
ATOM   3606 H HG2  . GLU   B 1 119 ? 8.167  24.041  -33.144 1 35.467 ? 131 GLU   A HG2  1 c 2 
ATOM   3607 H HG3  . GLU   B 1 119 ? 7.744  23.254  -34.458 1 35.349 ? 131 GLU   A HG3  1 c 2 
ATOM   3608 N N    . ILE   B 1 120 ? 9.624  21.349  -32.226 1 31.818 ? 132 ILE   A N    1 ? 2 
ATOM   3609 C CA   . ILE   B 1 120 ? 10.94  21.323  -31.575 1 28.301 ? 132 ILE   A CA   1 ? 2 
ATOM   3610 C C    . ILE   B 1 120 ? 11.905 22.035  -32.49  1 30.58  ? 132 ILE   A C    1 ? 2 
ATOM   3611 O O    . ILE   B 1 120 ? 12.035 21.651  -33.647 1 34.576 ? 132 ILE   A O    1 ? 2 
ATOM   3612 C CB   . ILE   B 1 120 ? 11.456 19.928  -31.233 1 29.519 ? 132 ILE   A CB   1 ? 2 
ATOM   3613 C CG1  . ILE   B 1 120 ? 10.431 19.088  -30.418 1 28.978 ? 132 ILE   A CG1  1 ? 2 
ATOM   3614 C CG2  . ILE   B 1 120 ? 12.902 20.001  -30.641 1 30.533 ? 132 ILE   A CG2  1 ? 2 
ATOM   3615 C CD1  . ILE   B 1 120 ? 10.786 17.625  -30.31  1 28.385 ? 132 ILE   A CD1  1 ? 2 
ATOM   3616 H H    . ILE   B 1 120 ? 9.563  21.075  -33.096 1 31.875 ? 132 ILE   A H    1 c 2 
ATOM   3617 H HA   . ILE   B 1 120 ? 10.877 21.83   -30.743 1 29.891 ? 132 ILE   A HA   1 c 2 
ATOM   3618 H HB   . ILE   B 1 120 ? 11.547 19.465  -32.09  1 29.156 ? 132 ILE   A HB   1 c 2 
ATOM   3619 H HG12 . ILE   B 1 120 ? 10.364 19.463  -29.517 1 29.089 ? 132 ILE   A HG12 1 c 2 
ATOM   3620 H HG13 . ILE   B 1 120 ? 9.552  19.166  -30.841 1 29.082 ? 132 ILE   A HG13 1 c 2 
ATOM   3621 H HG21 . ILE   B 1 120 ? 13.129 19.152  -30.226 1 29.602 ? 132 ILE   A HG21 1 c 2 
ATOM   3622 H HG22 . ILE   B 1 120 ? 12.945 20.707  -29.973 1 30.871 ? 132 ILE   A HG22 1 c 2 
ATOM   3623 H HG23 . ILE   B 1 120 ? 13.538 20.19   -31.351 1 30.93  ? 132 ILE   A HG23 1 c 2 
ATOM   3624 H HD11 . ILE   B 1 120 ? 10.956 17.263  -31.201 1 28.335 ? 132 ILE   A HD11 1 c 2 
ATOM   3625 H HD12 . ILE   B 1 120 ? 10.045 17.14   -29.901 1 27.823 ? 132 ILE   A HD12 1 c 2 
ATOM   3626 H HD13 . ILE   B 1 120 ? 11.585 17.519  -29.76  1 28.269 ? 132 ILE   A HD13 1 c 2 
ATOM   3627 N N    . GLU   B 1 121 ? 12.656 22.955  -31.906 1 31.822 ? 133 GLU   A N    1 ? 2 
ATOM   3628 C CA   . GLU   B 1 121 ? 13.809 23.577  -32.501 1 35.579 ? 133 GLU   A CA   1 ? 2 
ATOM   3629 C C    . GLU   B 1 121 ? 15.063 23.089  -31.78  1 34.967 ? 133 GLU   A C    1 ? 2 
ATOM   3630 O O    . GLU   B 1 121 ? 15.242 23.383  -30.595 1 37.769 ? 133 GLU   A O    1 ? 2 
ATOM   3631 C CB   . GLU   B 1 121 ? 13.67  25.104  -32.411 1 40.515 ? 133 GLU   A CB   1 ? 2 
ATOM   3632 C CG   . GLU   B 1 121 ? 14.793 25.877  -33.108 1 41.157 ? 133 GLU   A CG   1 ? 2 
ATOM   3633 C CD   . GLU   B 1 121 ? 14.769 27.38   -32.921 1 48.498 ? 133 GLU   A CD   1 ? 2 
ATOM   3634 O OE1  . GLU   B 1 121 ? 13.892 27.899  -32.188 1 47.492 ? 133 GLU   A OE1  1 ? 2 
ATOM   3635 O OE2  . GLU   B 1 121 ? 15.656 28.009  -33.52  1 48.623 ? 133 GLU   A OE2  1 ? 2 
ATOM   3636 H H    . GLU   B 1 121 ? 12.425 23.218  -31.062 1 32.235 ? 133 GLU   A H    1 c 2 
ATOM   3637 H HA   . GLU   B 1 121 ? 13.855 23.314  -33.453 1 35.731 ? 133 GLU   A HA   1 c 2 
ATOM   3638 H HB2  . GLU   B 1 121 ? 12.814 25.366  -32.811 1 39.908 ? 133 GLU   A HB2  1 c 2 
ATOM   3639 H HB3  . GLU   B 1 121 ? 13.648 25.362  -31.466 1 39.552 ? 133 GLU   A HB3  1 c 2 
ATOM   3640 H HG2  . GLU   B 1 121 ? 15.655 25.543  -32.781 1 42.217 ? 133 GLU   A HG2  1 c 2 
ATOM   3641 H HG3  . GLU   B 1 121 ? 14.758 25.687  -34.068 1 42.809 ? 133 GLU   A HG3  1 c 2 
ATOM   3642 N N    . LEU   B 1 122 ? 15.964 22.481  -32.564 1 35.495 ? 134 LEU   A N    1 ? 2 
ATOM   3643 C CA   . LEU   B 1 122 ? 17.284 22.07   -32.059 1 34.432 ? 134 LEU   A CA   1 ? 2 
ATOM   3644 C C    . LEU   B 1 122 ? 18.252 23.243  -32.143 1 38.227 ? 134 LEU   A C    1 ? 2 
ATOM   3645 O O    . LEU   B 1 122 ? 18.674 23.643  -33.221 1 43.129 ? 134 LEU   A O    1 ? 2 
ATOM   3646 C CB   . LEU   B 1 122 ? 17.833 20.858  -32.818 1 36.541 ? 134 LEU   A CB   1 ? 2 
ATOM   3647 C CG   . LEU   B 1 122 ? 19.178 20.324  -32.315 1 34.24  ? 134 LEU   A CG   1 ? 2 
ATOM   3648 C CD1  . LEU   B 1 122 ? 19.096 19.946  -30.866 1 34.059 ? 134 LEU   A CD1  1 ? 2 
ATOM   3649 C CD2  . LEU   B 1 122 ? 19.552 19.061  -33.077 1 39.602 ? 134 LEU   A CD2  1 ? 2 
ATOM   3650 H H    . LEU   B 1 122 ? 15.758 22.312  -33.438 1 35.258 ? 134 LEU   A H    1 c 2 
ATOM   3651 H HA   . LEU   B 1 122 ? 17.178 21.824  -31.106 1 34.759 ? 134 LEU   A HA   1 c 2 
ATOM   3652 H HB2  . LEU   B 1 122 ? 17.169 20.133  -32.763 1 34.041 ? 134 LEU   A HB2  1 c 2 
ATOM   3653 H HB3  . LEU   B 1 122 ? 17.931 21.107  -33.766 1 36.156 ? 134 LEU   A HB3  1 c 2 
ATOM   3654 H HG   . LEU   B 1 122 ? 19.879 21.014  -32.445 1 37.217 ? 134 LEU   A HG   1 c 2 
ATOM   3655 H HD11 . LEU   B 1 122 ? 19.088 20.75   -30.319 1 34.479 ? 134 LEU   A HD11 1 c 2 
ATOM   3656 H HD12 . LEU   B 1 122 ? 19.866 19.402  -30.628 1 34.238 ? 134 LEU   A HD12 1 c 2 
ATOM   3657 H HD13 . LEU   B 1 122 ? 18.281 19.439  -30.707 1 32.67  ? 134 LEU   A HD13 1 c 2 
ATOM   3658 H HD21 . LEU   B 1 122 ? 19.432 19.208  -34.028 1 38.327 ? 134 LEU   A HD21 1 c 2 
ATOM   3659 H HD22 . LEU   B 1 122 ? 18.982 18.328  -32.79  1 36.556 ? 134 LEU   A HD22 1 c 2 
ATOM   3660 H HD23 . LEU   B 1 122 ? 20.481 18.837  -32.899 1 38.503 ? 134 LEU   A HD23 1 c 2 
ATOM   3661 N N    . LEU   B 1 123 ? 18.667 23.779  -30.99  1 41.591 ? 135 LEU   A N    1 ? 2 
ATOM   3662 C CA   . LEU   B 1 123 ? 19.441 25      -30.975 1 45.227 ? 135 LEU   A CA   1 ? 2 
ATOM   3663 C C    . LEU   B 1 123 ? 20.93  24.658  -31.057 1 44.982 ? 135 LEU   A C    1 ? 2 
ATOM   3664 O O    . LEU   B 1 123 ? 21.682 25.329  -31.737 1 46.334 ? 135 LEU   A O    1 ? 2 
ATOM   3665 C CB   . LEU   B 1 123 ? 19.142 25.772  -29.708 1 45.249 ? 135 LEU   A CB   1 ? 2 
ATOM   3666 C CG   . LEU   B 1 123 ? 17.705 26.243  -29.512 1 47.423 ? 135 LEU   A CG   1 ? 2 
ATOM   3667 C CD1  . LEU   B 1 123 ? 17.555 26.94   -28.168 1 50.875 ? 135 LEU   A CD1  1 ? 2 
ATOM   3668 C CD2  . LEU   B 1 123 ? 17.335 27.164  -30.647 1 50.666 ? 135 LEU   A CD2  1 ? 2 
ATOM   3669 H H    . LEU   B 1 123 ? 18.455 23.376  -30.197 1 40.242 ? 135 LEU   A H    1 c 2 
ATOM   3670 H HA   . LEU   B 1 123 ? 19.194 25.547  -31.762 1 45.518 ? 135 LEU   A HA   1 c 2 
ATOM   3671 H HB2  . LEU   B 1 123 ? 19.389 25.207  -28.94  1 45.299 ? 135 LEU   A HB2  1 c 2 
ATOM   3672 H HB3  . LEU   B 1 123 ? 19.73  26.562  -29.686 1 47.912 ? 135 LEU   A HB3  1 c 2 
ATOM   3673 H HG   . LEU   B 1 123 ? 17.105 25.453  -29.532 1 45.828 ? 135 LEU   A HG   1 c 2 
ATOM   3674 H HD11 . LEU   B 1 123 ? 18.067 26.462  -27.495 1 49.771 ? 135 LEU   A HD11 1 c 2 
ATOM   3675 H HD12 . LEU   B 1 123 ? 16.619 26.952  -27.912 1 49.494 ? 135 LEU   A HD12 1 c 2 
ATOM   3676 H HD13 . LEU   B 1 123 ? 17.884 27.853  -28.236 1 52.127 ? 135 LEU   A HD13 1 c 2 
ATOM   3677 H HD21 . LEU   B 1 123 ? 17.197 26.645  -31.456 1 49.225 ? 135 LEU   A HD21 1 c 2 
ATOM   3678 H HD22 . LEU   B 1 123 ? 18.05  27.806  -30.793 1 51.884 ? 135 LEU   A HD22 1 c 2 
ATOM   3679 H HD23 . LEU   B 1 123 ? 16.515 27.639  -30.426 1 50.412 ? 135 LEU   A HD23 1 c 2 
ATOM   3680 N N    . ASP   B 1 124 ? 21.317 23.621  -30.324 1 43.988 ? 136 ASP   A N    1 ? 2 
ATOM   3681 C CA   . ASP   B 1 124 ? 22.703 23.255  -30.17  1 45.756 ? 136 ASP   A CA   1 ? 2 
ATOM   3682 C C    . ASP   B 1 124 ? 22.768 21.859  -29.542 1 42.907 ? 136 ASP   A C    1 ? 2 
ATOM   3683 O O    . ASP   B 1 124 ? 21.798 21.403  -28.884 1 41.299 ? 136 ASP   A O    1 ? 2 
ATOM   3684 C CB   . ASP   B 1 124 ? 23.468 24.337  -29.42  1 49.1   ? 136 ASP   A CB   1 ? 2 
ATOM   3685 C CG   . ASP   B 1 124 ? 24.978 24.351  -29.652 1 54.517 ? 136 ASP   A CG   1 ? 2 
ATOM   3686 O OD1  . ASP   B 1 124 ? 25.496 23.508  -30.422 1 52.389 ? 136 ASP   A OD1  1 ? 2 
ATOM   3687 O OD2  . ASP   B 1 124 ? 25.622 25.227  -29.093 1 57.677 ? 136 ASP   A OD2  1 ? 2 
ATOM   3688 H H    . ASP   B 1 124 ? 20.686 23.123  -29.89  1 42.65  ? 136 ASP   A H    1 c 2 
ATOM   3689 H HA   . ASP   B 1 124 ? 23.097 23.2    -31.07  1 46.23  ? 136 ASP   A HA   1 c 2 
ATOM   3690 H HB2  . ASP   B 1 124 ? 23.121 25.22   -29.663 1 50.359 ? 136 ASP   A HB2  1 c 2 
ATOM   3691 H HB3  . ASP   B 1 124 ? 23.313 24.212  -28.461 1 49.244 ? 136 ASP   A HB3  1 c 2 
ATOM   3692 N N    . PHE   B 1 125 ? 23.94  21.22   -29.742 1 41.763 ? 137 PHE   A N    1 ? 2 
ATOM   3693 C CA   . PHE   B 1 125 ? 24.322 20.057  -28.959 1 41.772 ? 137 PHE   A CA   1 ? 2 
ATOM   3694 C C    . PHE   B 1 125 ? 25.846 19.981  -28.85  1 48.788 ? 137 PHE   A C    1 ? 2 
ATOM   3695 O O    . PHE   B 1 125 ? 26.578 20.401  -29.755 1 51.668 ? 137 PHE   A O    1 ? 2 
ATOM   3696 C CB   . PHE   B 1 125 ? 23.697 18.758  -29.503 1 39.045 ? 137 PHE   A CB   1 ? 2 
ATOM   3697 C CG   . PHE   B 1 125 ? 24.087 18.442  -30.928 1 38.186 ? 137 PHE   A CG   1 ? 2 
ATOM   3698 C CD1  . PHE   B 1 125 ? 25.247 17.719  -31.223 1 40.215 ? 137 PHE   A CD1  1 ? 2 
ATOM   3699 C CD2  . PHE   B 1 125 ? 23.265 18.862  -31.962 1 37.745 ? 137 PHE   A CD2  1 ? 2 
ATOM   3700 C CE1  . PHE   B 1 125 ? 25.559 17.42   -32.535 1 41.258 ? 137 PHE   A CE1  1 ? 2 
ATOM   3701 C CE2  . PHE   B 1 125 ? 23.625 18.597  -33.273 1 43.79  ? 137 PHE   A CE2  1 ? 2 
ATOM   3702 C CZ   . PHE   B 1 125 ? 24.746 17.842  -33.54  1 42.529 ? 137 PHE   A CZ   1 ? 2 
ATOM   3703 H H    . PHE   B 1 125 ? 24.511 21.522  -30.389 1 43.615 ? 137 PHE   A H    1 c 2 
ATOM   3704 H HA   . PHE   B 1 125 ? 23.967 20.194  -28.044 1 42.076 ? 137 PHE   A HA   1 c 2 
ATOM   3705 H HB2  . PHE   B 1 125 ? 23.972 18.012  -28.925 1 38.935 ? 137 PHE   A HB2  1 c 2 
ATOM   3706 H HB3  . PHE   B 1 125 ? 22.718 18.836  -29.451 1 37.545 ? 137 PHE   A HB3  1 c 2 
ATOM   3707 H HD1  . PHE   B 1 125 ? 25.798 17.406  -30.523 1 40.882 ? 137 PHE   A HD1  1 c 2 
ATOM   3708 H HD2  . PHE   B 1 125 ? 22.49  19.367  -31.775 1 38.027 ? 137 PHE   A HD2  1 c 2 
ATOM   3709 H HE1  . PHE   B 1 125 ? 26.341 16.93   -32.733 1 42.879 ? 137 PHE   A HE1  1 c 2 
ATOM   3710 H HE2  . PHE   B 1 125 ? 23.063 18.873  -33.98  1 41.564 ? 137 PHE   A HE2  1 c 2 
ATOM   3711 H HZ   . PHE   B 1 125 ? 24.981 17.66   -34.436 1 43.4   ? 137 PHE   A HZ   1 c 2 
ATOM   3712 N N    . LYS   B 1 126 ? 26.313 19.428  -27.739 1 49.059 ? 138 LYS   A N    1 ? 2 
ATOM   3713 C CA   . LYS   B 1 126 ? 27.728 19.403  -27.378 1 51.242 ? 138 LYS   A CA   1 ? 2 
ATOM   3714 C C    . LYS   B 1 126 ? 28.02  18.039  -26.744 1 48.391 ? 138 LYS   A C    1 ? 2 
ATOM   3715 O O    . LYS   B 1 126 ? 27.171 17.505  -26.03  1 45.41  ? 138 LYS   A O    1 ? 2 
ATOM   3716 C CB   . LYS   B 1 126 ? 28.062 20.606  -26.47  1 50.845 ? 138 LYS   A CB   1 ? 2 
ATOM   3717 H H    . LYS   B 1 126 ? 25.717 19.039  -27.166 1 47.836 ? 138 LYS   A H    1 c 2 
ATOM   3718 H HA   . LYS   B 1 126 ? 28.262 19.482  -28.209 1 51.234 ? 138 LYS   A HA   1 c 2 
ATOM   3719 H HB2  . LYS   B 1 126 ? 29.036 20.691  -26.397 0 30     ? 138 LYS   A HB2  1 c 2 
ATOM   3720 H HB3  . LYS   B 1 126 ? 27.221 21.009  -26.155 0 30     ? 138 LYS   A HB3  1 c 2 
ATOM   3721 N N    . GLY   B 1 127 ? 29.225 17.508  -26.996 1 55.19  ? 139 GLY   A N    1 ? 2 
ATOM   3722 C CA   . GLY   B 1 127 ? 29.725 16.304  -26.349 1 58.169 ? 139 GLY   A CA   1 ? 2 
ATOM   3723 C C    . GLY   B 1 127 ? 29.649 16.425  -24.829 1 63.649 ? 139 GLY   A C    1 ? 2 
ATOM   3724 O O    . GLY   B 1 127 ? 29.761 17.531  -24.303 1 66.18  ? 139 GLY   A O    1 ? 2 
ATOM   3725 H H    . GLY   B 1 127 ? 29.763 17.922  -27.608 1 55.443 ? 139 GLY   A H    1 c 2 
ATOM   3726 H HA2  . GLY   B 1 127 ? 29.195 15.529  -26.65  1 57.312 ? 139 GLY   A HA2  1 c 2 
ATOM   3727 H HA3  . GLY   B 1 127 ? 30.659 16.161  -26.621 1 60.561 ? 139 GLY   A HA3  1 c 2 
ATOM   3728 N N    . GLU   B 1 128 ? 29.418 15.294  -24.146 1 68.662 ? 140 GLU   A N    1 ? 2 
ATOM   3729 C CA   . GLU   B 1 128 ? 29.717 15.152  -22.721 1 74.591 ? 140 GLU   A CA   1 ? 2 
ATOM   3730 C C    . GLU   B 1 128 ? 31.144 15.703  -22.443 1 76.208 ? 140 GLU   A C    1 ? 2 
ATOM   3731 O O    . GLU   B 1 128 ? 31.223 16.728  -21.729 1 74.74  ? 140 GLU   A O    1 ? 2 
ATOM   3732 C CB   . GLU   B 1 128 ? 29.49  13.707  -22.248 1 77.52  ? 140 GLU   A CB   1 ? 2 
ATOM   3733 O OXT  . GLU   B 1 128 ? 32.131 15.138  -22.998 1 67.606 ? 140 GLU   A OXT  1 ? 2 
ATOM   3734 H H    . GLU   B 1 128 ? 29.054 14.581  -24.588 1 66.948 ? 140 GLU   A H    1 c 2 
ATOM   3735 H HA   . GLU   B 1 128 ? 29.076 15.721  -22.225 1 73.072 ? 140 GLU   A HA   1 c 2 
ATOM   3736 H HB2  . GLU   B 1 128 ? 30.354 13.31   -22.076 0 30     ? 140 GLU   A HB2  1 c 2 
ATOM   3737 H HB3  . GLU   B 1 128 ? 28.519 13.58   -22.169 0 30     ? 140 GLU   A HB3  1 c 2 
HETATM 3738 C C4   . A1INY C 2 .   ? 15.328 -2.533  -14.382 1 34.176 ? 201 A1INY B C4   1 ? 1 
HETATM 3739 C C14  . A1INY C 2 .   ? 20.279 -3.299  -15.66  1 38.65  ? 201 A1INY B C14  1 ? 1 
HETATM 3740 C C5   . A1INY C 2 .   ? 15.898 -3.668  -14.934 1 37.348 ? 201 A1INY B C5   1 ? 1 
HETATM 3741 C C6   . A1INY C 2 .   ? 16.213 -3.723  -16.286 1 38.388 ? 201 A1INY B C6   1 ? 1 
HETATM 3742 C C11  . A1INY C 2 .   ? 17.962 -6.896  -16.838 1 46.856 ? 201 A1INY B C11  1 ? 1 
HETATM 3743 C C7   . A1INY C 2 .   ? 15.973 -2.657  -17.111 1 40.139 ? 201 A1INY B C7   1 ? 1 
HETATM 3744 C C8   . A1INY C 2 .   ? 17.602 -2.552  -18.803 1 41.824 ? 201 A1INY B C8   1 ? 1 
HETATM 3745 C C9   . A1INY C 2 .   ? 16.79  -6.077  -16.299 1 43.194 ? 201 A1INY B C9   1 ? 1 
HETATM 3746 C C10  . A1INY C 2 .   ? 15.459 -6.759  -16.605 1 46.816 ? 201 A1INY B C10  1 ? 1 
HETATM 3747 C C12  . A1INY C 2 .   ? 19.232 -6.695  -16.068 1 47.888 ? 201 A1INY B C12  1 ? 1 
HETATM 3748 C C13  . A1INY C 2 .   ? 19.628 -4.386  -15.169 1 38.788 ? 201 A1INY B C13  1 ? 1 
HETATM 3749 N N1   . A1INY C 2 .   ? 19.731 -5.325  -16.126 1 45.984 ? 201 A1INY B N1   1 ? 1 
HETATM 3750 N N2   . A1INY C 2 .   ? 20.748 -3.616  -16.889 1 40.453 ? 201 A1INY B N2   1 ? 1 
HETATM 3751 C C3   . A1INY C 2 .   ? 15.125 -1.423  -15.2   1 35.723 ? 201 A1INY B C3   1 ? 1 
HETATM 3752 N N3   . A1INY C 2 .   ? 20.426 -4.863  -17.205 1 42.591 ? 201 A1INY B N3   1 ? 1 
HETATM 3753 C C1   . A1INY C 2 .   ? 14.813 0.731   -17.029 1 34.093 ? 201 A1INY B C1   1 ? 1 
HETATM 3754 O O1   . A1INY C 2 .   ? 15.24  -0.52   -17.468 1 37.199 ? 201 A1INY B O1   1 ? 1 
HETATM 3755 C C2   . A1INY C 2 .   ? 15.37  -1.526  -16.562 1 37.158 ? 201 A1INY B C2   1 ? 1 
HETATM 3756 O O2   . A1INY C 2 .   ? 16.235 -2.781  -18.481 1 41.113 ? 201 A1INY B O2   1 ? 1 
HETATM 3757 O O3   . A1INY C 2 .   ? 16.784 -4.778  -16.951 1 41.743 ? 201 A1INY B O3   1 ? 1 
HETATM 3758 C C15  . A1INY C 2 .   ? 20.411 -1.947  -15.042 1 36.779 ? 201 A1INY B C15  1 ? 1 
HETATM 3759 C C16  . A1INY C 2 .   ? 19.409 -0.996  -15.708 1 36.749 ? 201 A1INY B C16  1 ? 1 
HETATM 3760 C C17  . A1INY C 2 .   ? 20.023 -0.455  -17.007 1 38.325 ? 201 A1INY B C17  1 ? 1 
HETATM 3761 C C18  . A1INY C 2 .   ? 18.945 0.106   -14.806 1 35.976 ? 201 A1INY B C18  1 ? 1 
HETATM 3762 O O4   . A1INY C 2 .   ? 18.367 -0.429  -13.572 1 34.907 ? 201 A1INY B O4   1 ? 1 
HETATM 3763 C C19  . A1INY C 2 .   ? 18.538 0.233   -12.421 1 37.451 ? 201 A1INY B C19  1 ? 1 
HETATM 3764 O O5   . A1INY C 2 .   ? 19.161 1.23    -12.311 1 34.759 ? 201 A1INY B O5   1 ? 1 
HETATM 3765 C C20  . A1INY C 2 .   ? 17.817 -0.4    -11.237 1 31.128 ? 201 A1INY B C20  1 ? 1 
HETATM 3766 C C21  . A1INY C 2 .   ? 18.809 -0.812  -10.155 1 33.991 ? 201 A1INY B C21  1 ? 1 
HETATM 3767 C C22  . A1INY C 2 .   ? 19.753 -1.908  -10.641 1 37.089 ? 201 A1INY B C22  1 ? 1 
HETATM 3768 C C23  . A1INY C 2 .   ? 18.926 -3.165  -10.935 1 37.987 ? 201 A1INY B C23  1 ? 1 
HETATM 3769 C C24  . A1INY C 2 .   ? 17.856 -2.879  -12.023 1 35.42  ? 201 A1INY B C24  1 ? 1 
HETATM 3770 N N4   . A1INY C 2 .   ? 17.07  -1.558  -11.772 1 32.128 ? 201 A1INY B N4   1 ? 1 
HETATM 3771 C C25  . A1INY C 2 .   ? 15.79  -1.373  -12.173 1 36.117 ? 201 A1INY B C25  1 ? 1 
HETATM 3772 O O6   . A1INY C 2 .   ? 15.215 -0.267  -12.045 1 33.579 ? 201 A1INY B O6   1 ? 1 
HETATM 3773 C C26  . A1INY C 2 .   ? 15.038 -2.509  -12.875 1 34.495 ? 201 A1INY B C26  1 ? 1 
HETATM 3774 C C27  . A1INY C 2 .   ? 13.523 -2.373  -12.571 1 35.098 ? 201 A1INY B C27  1 ? 1 
HETATM 3775 C C28  . A1INY C 2 .   ? 13.153 -2.578  -11.11  1 34.419 ? 201 A1INY B C28  1 ? 1 
HETATM 3776 C C29  . A1INY C 2 .   ? 11.654 -2.421  -10.827 1 39.051 ? 201 A1INY B C29  1 ? 1 
HETATM 3777 C C30  . A1INY C 2 .   ? 10.876 -3.446  -11.627 1 39.61  ? 201 A1INY B C30  1 ? 1 
HETATM 3778 C C31  . A1INY C 2 .   ? 11.16  -3.198  -13.116 1 41.704 ? 201 A1INY B C31  1 ? 1 
HETATM 3779 C C32  . A1INY C 2 .   ? 12.668 -3.326  -13.433 1 37.356 ? 201 A1INY B C32  1 ? 1 
HETATM 3780 H H5   . A1INY C 2 .   ? 16.083 -4.406  -14.378 1 36.816 ? 201 A1INY B H5   1 c 1 
HETATM 3781 H H14  . A1INY C 2 .   ? 17.72  -7.846  -16.813 1 47.746 ? 201 A1INY B H14  1 c 1 
HETATM 3782 H H13  . A1INY C 2 .   ? 18.113 -6.65   -17.774 1 47.732 ? 201 A1INY B H13  1 c 1 
HETATM 3783 H H7   . A1INY C 2 .   ? 17.713 -2.577  -19.767 1 43.137 ? 201 A1INY B H7   1 c 1 
HETATM 3784 H H8   . A1INY C 2 .   ? 18.153 -3.24   -18.396 1 41.65  ? 201 A1INY B H8   1 c 1 
HETATM 3785 H H6   . A1INY C 2 .   ? 17.872 -1.681  -18.469 1 40.795 ? 201 A1INY B H6   1 c 1 
HETATM 3786 H H9   . A1INY C 2 .   ? 16.893 -5.968  -15.32  1 42.516 ? 201 A1INY B H9   1 c 1 
HETATM 3787 H H11  . A1INY C 2 .   ? 15.358 -6.864  -17.566 1 47.416 ? 201 A1INY B H11  1 c 1 
HETATM 3788 H H12  . A1INY C 2 .   ? 14.728 -6.217  -16.263 1 45.26  ? 201 A1INY B H12  1 c 1 
HETATM 3789 H H10  . A1INY C 2 .   ? 15.435 -7.634  -16.182 1 46.513 ? 201 A1INY B H10  1 c 1 
HETATM 3790 H H16  . A1INY C 2 .   ? 19.078 -6.934  -15.132 1 46.385 ? 201 A1INY B H16  1 c 1 
HETATM 3791 H H15  . A1INY C 2 .   ? 19.918 -7.296  -16.424 1 48.457 ? 201 A1INY B H15  1 c 1 
HETATM 3792 H H17  . A1INY C 2 .   ? 19.188 -4.465  -14.34  1 38.945 ? 201 A1INY B H17  1 c 1 
HETATM 3793 H H4   . A1INY C 2 .   ? 14.718 -0.648  -14.845 1 34.695 ? 201 A1INY B H4   1 c 1 
HETATM 3794 H H2   . A1INY C 2 .   ? 14.787 1.344   -17.781 1 35.558 ? 201 A1INY B H2   1 c 1 
HETATM 3795 H H3   . A1INY C 2 .   ? 15.429 1.068   -16.358 1 33.779 ? 201 A1INY B H3   1 c 1 
HETATM 3796 H H1   . A1INY C 2 .   ? 13.924 0.654   -16.645 1 34.539 ? 201 A1INY B H1   1 c 1 
HETATM 3797 H H19  . A1INY C 2 .   ? 20.228 -2      -14.08  1 35.857 ? 201 A1INY B H19  1 c 1 
HETATM 3798 H H18  . A1INY C 2 .   ? 21.324 -1.607  -15.171 1 37.307 ? 201 A1INY B H18  1 c 1 
HETATM 3799 H H20  . A1INY C 2 .   ? 18.61  -1.525  -15.957 1 37.196 ? 201 A1INY B H20  1 c 1 
HETATM 3800 H H23  . A1INY C 2 .   ? 20.893 -0.064  -16.817 1 38.341 ? 201 A1INY B H23  1 c 1 
HETATM 3801 H H21  . A1INY C 2 .   ? 19.439 0.225   -17.382 1 38.357 ? 201 A1INY B H21  1 c 1 
HETATM 3802 H H22  . A1INY C 2 .   ? 20.127 -1.18   -17.646 1 39.47  ? 201 A1INY B H22  1 c 1 
HETATM 3803 H H25  . A1INY C 2 .   ? 19.705 0.686   -14.591 1 35.718 ? 201 A1INY B H25  1 c 1 
HETATM 3804 H H24  . A1INY C 2 .   ? 18.274 0.646   -15.273 1 36.018 ? 201 A1INY B H24  1 c 1 
HETATM 3805 H H26  . A1INY C 2 .   ? 17.17  0.256   -10.864 1 32.108 ? 201 A1INY B H26  1 c 1 
HETATM 3806 H H28  . A1INY C 2 .   ? 19.339 -0.024  -9.879  1 33.329 ? 201 A1INY B H28  1 c 1 
HETATM 3807 H H27  . A1INY C 2 .   ? 18.313 -1.136  -9.367  1 33.183 ? 201 A1INY B H27  1 c 1 
HETATM 3808 H H29  . A1INY C 2 .   ? 20.426 -2.104  -9.949  1 36.557 ? 201 A1INY B H29  1 c 1 
HETATM 3809 H H30  . A1INY C 2 .   ? 20.223 -1.616  -11.456 1 37.301 ? 201 A1INY B H30  1 c 1 
HETATM 3810 H H31  . A1INY C 2 .   ? 18.483 -3.466  -10.113 1 36.77  ? 201 A1INY B H31  1 c 1 
HETATM 3811 H H32  . A1INY C 2 .   ? 19.519 -3.884  -11.242 1 38.096 ? 201 A1INY B H32  1 c 1 
HETATM 3812 H H33  . A1INY C 2 .   ? 17.224 -3.632  -12.049 1 35.968 ? 201 A1INY B H33  1 c 1 
HETATM 3813 H H34  . A1INY C 2 .   ? 18.296 -2.828  -12.901 1 36.296 ? 201 A1INY B H34  1 c 1 
HETATM 3814 H H35  . A1INY C 2 .   ? 15.357 -3.368  -12.498 1 34.961 ? 201 A1INY B H35  1 c 1 
HETATM 3815 H H36  . A1INY C 2 .   ? 13.255 -1.448  -12.812 1 34.971 ? 201 A1INY B H36  1 c 1 
HETATM 3816 H H38  . A1INY C 2 .   ? 13.435 -3.474  -10.835 1 35.557 ? 201 A1INY B H38  1 c 1 
HETATM 3817 H H37  . A1INY C 2 .   ? 13.646 -1.932  -10.563 1 34.308 ? 201 A1INY B H37  1 c 1 
HETATM 3818 H H39  . A1INY C 2 .   ? 11.363 -1.515  -11.075 1 37.586 ? 201 A1INY B H39  1 c 1 
HETATM 3819 H H40  . A1INY C 2 .   ? 11.483 -2.549  -9.868  1 37.319 ? 201 A1INY B H40  1 c 1 
HETATM 3820 H H41  . A1INY C 2 .   ? 9.915  -3.354  -11.448 1 40.649 ? 201 A1INY B H41  1 c 1 
HETATM 3821 H H42  . A1INY C 2 .   ? 11.159 -4.352  -11.377 1 40.49  ? 201 A1INY B H42  1 c 1 
HETATM 3822 H H43  . A1INY C 2 .   ? 10.85  -2.298  -13.361 1 40.375 ? 201 A1INY B H43  1 c 1 
HETATM 3823 H H44  . A1INY C 2 .   ? 10.658 -3.849  -13.655 1 41.848 ? 201 A1INY B H44  1 c 1 
HETATM 3824 H H46  . A1INY C 2 .   ? 12.954 -4.249  -13.274 1 38.488 ? 201 A1INY B H46  1 c 1 
HETATM 3825 H H45  . A1INY C 2 .   ? 12.813 -3.125  -14.38  1 38.764 ? 201 A1INY B H45  1 c 1 
HETATM 3826 C C4   . A1INY D 2 .   ? 5.787  17.987  -19.725 1 31.648 ? 201 A1INY A C4   1 ? 2 
HETATM 3827 C C14  . A1INY D 2 .   ? 10.422 18.863  -17.995 1 42.601 ? 201 A1INY A C14  1 ? 2 
HETATM 3828 C C5   . A1INY D 2 .   ? 6.18   19.194  -19.165 1 33.292 ? 201 A1INY A C5   1 ? 2 
HETATM 3829 C C6   . A1INY D 2 .   ? 6.383  19.245  -17.789 1 41.99  ? 201 A1INY A C6   1 ? 2 
HETATM 3830 C C11  . A1INY D 2 .   ? 8.008  22.404  -16.94  1 50.973 ? 201 A1INY A C11  1 ? 2 
HETATM 3831 C C7   . A1INY D 2 .   ? 6.027  18.19   -16.952 1 40.508 ? 201 A1INY A C7   1 ? 2 
HETATM 3832 C C8   . A1INY D 2 .   ? 7.419  17.937  -15.174 1 38.216 ? 201 A1INY A C8   1 ? 2 
HETATM 3833 C C9   . A1INY D 2 .   ? 6.911  21.607  -17.63  1 45.646 ? 201 A1INY A C9   1 ? 2 
HETATM 3834 C C10  . A1INY D 2 .   ? 5.557  22.211  -17.491 1 50.39  ? 201 A1INY A C10  1 ? 2 
HETATM 3835 C C12  . A1INY D 2 .   ? 9.308  22.272  -17.702 1 47.803 ? 201 A1INY A C12  1 ? 2 
HETATM 3836 C C13  . A1INY D 2 .   ? 9.811  19.947  -18.568 1 43.165 ? 201 A1INY A C13  1 ? 2 
HETATM 3837 N N1   . A1INY D 2 .   ? 9.851  20.923  -17.639 1 46.811 ? 201 A1INY A N1   1 ? 2 
HETATM 3838 N N2   . A1INY D 2 .   ? 10.793 19.222  -16.763 1 44.325 ? 201 A1INY A N2   1 ? 2 
HETATM 3839 C C3   . A1INY D 2 .   ? 5.369  16.93   -18.915 1 32.052 ? 201 A1INY A C3   1 ? 2 
HETATM 3840 N N3   . A1INY D 2 .   ? 10.46  20.472  -16.534 1 46.804 ? 201 A1INY A N3   1 ? 2 
HETATM 3841 C C1   . A1INY D 2 .   ? 5.109  14.712  -17.267 1 38.332 ? 201 A1INY A C1   1 ? 2 
HETATM 3842 O O1   . A1INY D 2 .   ? 5.251  15.979  -16.662 1 37.844 ? 201 A1INY A O1   1 ? 2 
HETATM 3843 C C2   . A1INY D 2 .   ? 5.581  16.994  -17.526 1 41.187 ? 201 A1INY A C2   1 ? 2 
HETATM 3844 O O2   . A1INY D 2 .   ? 6.15   18.4    -15.576 1 37.969 ? 201 A1INY A O2   1 ? 2 
HETATM 3845 O O3   . A1INY D 2 .   ? 6.761  20.299  -17.024 1 39.206 ? 201 A1INY A O3   1 ? 2 
HETATM 3846 C C15  . A1INY D 2 .   ? 10.676 17.481  -18.515 1 38.24  ? 201 A1INY A C15  1 ? 2 
HETATM 3847 C C16  . A1INY D 2 .   ? 9.571  16.496  -18.149 1 34.355 ? 201 A1INY A C16  1 ? 2 
HETATM 3848 C C17  . A1INY D 2 .   ? 9.906  15.88   -16.786 1 43.83  ? 201 A1INY A C17  1 ? 2 
HETATM 3849 C C18  . A1INY D 2 .   ? 9.421  15.366  -19.161 1 34.034 ? 201 A1INY A C18  1 ? 2 
HETATM 3850 O O4   . A1INY D 2 .   ? 8.804  15.904  -20.369 1 30.555 ? 201 A1INY A O4   1 ? 2 
HETATM 3851 C C19  . A1INY D 2 .   ? 8.983  15.185  -21.482 1 32.993 ? 201 A1INY A C19  1 ? 2 
HETATM 3852 O O5   . A1INY D 2 .   ? 9.615  14.19   -21.562 1 30.801 ? 201 A1INY A O5   1 ? 2 
HETATM 3853 C C20  . A1INY D 2 .   ? 8.361  15.867  -22.687 1 27.755 ? 201 A1INY A C20  1 ? 2 
HETATM 3854 C C21  . A1INY D 2 .   ? 9.523  16.165  -23.621 1 29.11  ? 201 A1INY A C21  1 ? 2 
HETATM 3855 C C22  . A1INY D 2 .   ? 10.39  17.268  -23.082 1 27.557 ? 201 A1INY A C22  1 ? 2 
HETATM 3856 C C23  . A1INY D 2 .   ? 9.501  18.496  -22.923 1 27.213 ? 201 A1INY A C23  1 ? 2 
HETATM 3857 C C24  . A1INY D 2 .   ? 8.375  18.238  -21.849 1 26.872 ? 201 A1INY A C24  1 ? 2 
HETATM 3858 N N4   . A1INY D 2 .   ? 7.62   17.041  -22.167 1 27.007 ? 201 A1INY A N4   1 ? 2 
HETATM 3859 C C25  . A1INY D 2 .   ? 6.346  16.811  -21.785 1 26.504 ? 201 A1INY A C25  1 ? 2 
HETATM 3860 O O6   . A1INY D 2 .   ? 5.841  15.685  -21.832 1 29.084 ? 201 A1INY A O6   1 ? 2 
HETATM 3861 C C26  . A1INY D 2 .   ? 5.553  17.946  -21.225 1 31.811 ? 201 A1INY A C26  1 ? 2 
HETATM 3862 C C27  . A1INY D 2 .   ? 4.065  17.829  -21.568 1 30.511 ? 201 A1INY A C27  1 ? 2 
HETATM 3863 C C28  . A1INY D 2 .   ? 3.817  17.854  -23.092 1 27.608 ? 201 A1INY A C28  1 ? 2 
HETATM 3864 C C29  . A1INY D 2 .   ? 2.32   17.917  -23.439 1 33.013 ? 201 A1INY A C29  1 ? 2 
HETATM 3865 C C30  . A1INY D 2 .   ? 1.552  18.999  -22.768 1 34.883 ? 201 A1INY A C30  1 ? 2 
HETATM 3866 C C31  . A1INY D 2 .   ? 1.754  18.868  -21.274 1 35.321 ? 201 A1INY A C31  1 ? 2 
HETATM 3867 C C32  . A1INY D 2 .   ? 3.235  18.908  -20.926 1 31.61  ? 201 A1INY A C32  1 ? 2 
HETATM 3868 H H5   . A1INY D 2 .   ? 6.424  19.918  -19.718 1 34.668 ? 201 A1INY A H5   1 c 2 
HETATM 3869 H H14  . A1INY D 2 .   ? 7.745  23.347  -16.898 1 51.075 ? 201 A1INY A H14  1 c 2 
HETATM 3870 H H13  . A1INY D 2 .   ? 8.126  22.068  -16.027 1 50.79  ? 201 A1INY A H13  1 c 2 
HETATM 3871 H H7   . A1INY D 2 .   ? 7.524  18.076  -14.219 1 40.175 ? 201 A1INY A H7   1 c 2 
HETATM 3872 H H8   . A1INY D 2 .   ? 8.11   18.427  -15.649 1 37.749 ? 201 A1INY A H8   1 c 2 
HETATM 3873 H H6   . A1INY D 2 .   ? 7.498  16.99   -15.373 1 37.39  ? 201 A1INY A H6   1 c 2 
HETATM 3874 H H9   . A1INY D 2 .   ? 7.133  21.511  -18.591 1 43.9   ? 201 A1INY A H9   1 c 2 
HETATM 3875 H H11  . A1INY D 2 .   ? 5.299  22.221  -16.554 1 50.79  ? 201 A1INY A H11  1 c 2 
HETATM 3876 H H12  . A1INY D 2 .   ? 4.912  21.688  -17.996 1 48.094 ? 201 A1INY A H12  1 c 2 
HETATM 3877 H H10  . A1INY D 2 .   ? 5.569  23.121  -17.831 1 49.967 ? 201 A1INY A H10  1 c 2 
HETATM 3878 H H16  . A1INY D 2 .   ? 9.159  22.511  -18.64  1 47.249 ? 201 A1INY A H16  1 c 2 
HETATM 3879 H H15  . A1INY D 2 .   ? 9.963  22.896  -17.329 1 49.74  ? 201 A1INY A H15  1 c 2 
HETATM 3880 H H17  . A1INY D 2 .   ? 9.422  19.998  -19.425 1 42.151 ? 201 A1INY A H17  1 c 2 
HETATM 3881 H H4   . A1INY D 2 .   ? 5.087  16.123  -19.316 1 32.777 ? 201 A1INY A H4   1 c 2 
HETATM 3882 H H2   . A1INY D 2 .   ? 5.027  14.035  -16.576 1 38.767 ? 201 A1INY A H2   1 c 2 
HETATM 3883 H H3   . A1INY D 2 .   ? 5.889  14.522  -17.813 1 36.661 ? 201 A1INY A H3   1 c 2 
HETATM 3884 H H1   . A1INY D 2 .   ? 4.312  14.703  -17.822 1 37.137 ? 201 A1INY A H1   1 c 2 
HETATM 3885 H H19  . A1INY D 2 .   ? 10.756 17.516  -19.493 1 36.615 ? 201 A1INY A H19  1 c 2 
HETATM 3886 H H18  . A1INY D 2 .   ? 11.528 17.152  -18.154 1 38.576 ? 201 A1INY A H18  1 c 2 
HETATM 3887 H H20  . A1INY D 2 .   ? 8.712  16.983  -18.09  1 36.759 ? 201 A1INY A H20  1 c 2 
HETATM 3888 H H23  . A1INY D 2 .   ? 10.781 15.459  -16.824 1 41.405 ? 201 A1INY A H23  1 c 2 
HETATM 3889 H H21  . A1INY D 2 .   ? 9.238  15.212  -16.564 1 41.468 ? 201 A1INY A H21  1 c 2 
HETATM 3890 H H22  . A1INY D 2 .   ? 9.909  16.575  -16.106 1 42.786 ? 201 A1INY A H22  1 c 2 
HETATM 3891 H H25  . A1INY D 2 .   ? 10.303 14.992  -19.369 1 33.03  ? 201 A1INY A H25  1 c 2 
HETATM 3892 H H24  . A1INY D 2 .   ? 8.861  14.655  -18.787 1 33.538 ? 201 A1INY A H24  1 c 2 
HETATM 3893 H H26  . A1INY D 2 .   ? 7.724  15.243  -23.127 1 27.921 ? 201 A1INY A H26  1 c 2 
HETATM 3894 H H28  . A1INY D 2 .   ? 10.068 15.351  -23.747 1 27.803 ? 201 A1INY A H28  1 c 2 
HETATM 3895 H H27  . A1INY D 2 .   ? 9.168  16.433  -24.5   1 27.55  ? 201 A1INY A H27  1 c 2 
HETATM 3896 H H29  . A1INY D 2 .   ? 11.125 17.46   -23.709 1 27.677 ? 201 A1INY A H29  1 c 2 
HETATM 3897 H H30  . A1INY D 2 .   ? 10.776 17.011  -22.214 1 28.572 ? 201 A1INY A H30  1 c 2 
HETATM 3898 H H31  . A1INY D 2 .   ? 9.086  18.714  -23.785 1 26.755 ? 201 A1INY A H31  1 c 2 
HETATM 3899 H H32  . A1INY D 2 .   ? 10.048 19.26   -22.645 1 28.104 ? 201 A1INY A H32  1 c 2 
HETATM 3900 H H33  . A1INY D 2 .   ? 7.773  19.015  -21.824 1 28.021 ? 201 A1INY A H33  1 c 2 
HETATM 3901 H H34  . A1INY D 2 .   ? 8.786  18.144  -20.96  1 28.212 ? 201 A1INY A H34  1 c 2 
HETATM 3902 H H35  . A1INY D 2 .   ? 5.899  18.792  -21.609 1 30.519 ? 201 A1INY A H35  1 c 2 
HETATM 3903 H H36  . A1INY D 2 .   ? 3.739  16.956  -21.224 1 30.253 ? 201 A1INY A H36  1 c 2 
HETATM 3904 H H38  . A1INY D 2 .   ? 4.269  18.631  -23.479 1 29.07  ? 201 A1INY A H38  1 c 2 
HETATM 3905 H H37  . A1INY D 2 .   ? 4.203  17.051  -23.495 1 28.031 ? 201 A1INY A H37  1 c 2 
HETATM 3906 H H39  . A1INY D 2 .   ? 1.911  17.054  -23.206 1 31.714 ? 201 A1INY A H39  1 c 2 
HETATM 3907 H H40  . A1INY D 2 .   ? 2.231  18.028  -24.411 1 31.403 ? 201 A1INY A H40  1 c 2 
HETATM 3908 H H41  . A1INY D 2 .   ? 0.598  18.918  -22.986 1 35.267 ? 201 A1INY A H41  1 c 2 
HETATM 3909 H H42  . A1INY D 2 .   ? 1.871  19.876  -23.074 1 35.102 ? 201 A1INY A H42  1 c 2 
HETATM 3910 H H43  . A1INY D 2 .   ? 1.367  18.021  -20.963 1 34.605 ? 201 A1INY A H43  1 c 2 
HETATM 3911 H H44  . A1INY D 2 .   ? 1.29   19.603  -20.815 1 36.12  ? 201 A1INY A H44  1 c 2 
HETATM 3912 H H46  . A1INY D 2 .   ? 3.595  19.779  -21.192 1 32.796 ? 201 A1INY A H46  1 c 2 
HETATM 3913 H H45  . A1INY D 2 .   ? 3.326  18.84   -19.954 1 33.503 ? 201 A1INY A H45  1 c 2 
HETATM 3914 O O    . HOH   E 3 .   ? 25.199 7.125   0.532   1 33.834 ? 301 HOH   B O    1 ? ? 
HETATM 3915 O O    . HOH   E 3 .   ? 25.176 -0.718  6.553   1 38.653 ? 302 HOH   B O    1 ? ? 
HETATM 3916 O O    . HOH   E 3 .   ? 38.276 1.586   -3.567  1 56.699 ? 303 HOH   B O    1 ? ? 
HETATM 3917 O O    . HOH   E 3 .   ? 18.005 -10.452 -1.519  1 48.191 ? 304 HOH   B O    1 ? ? 
HETATM 3918 O O    . HOH   E 3 .   ? 23.716 8.486   2.361   1 42.621 ? 305 HOH   B O    1 ? ? 
HETATM 3919 O O    . HOH   E 3 .   ? 7.186  7.556   -3.047  1 35.396 ? 306 HOH   B O    1 ? ? 
HETATM 3920 O O    . HOH   E 3 .   ? 25.258 -4.434  7.777   1 36.943 ? 307 HOH   B O    1 ? ? 
HETATM 3921 O O    . HOH   E 3 .   ? 19.718 14.225  -1.778  1 35.794 ? 308 HOH   B O    1 ? ? 
HETATM 3922 O O    . HOH   E 3 .   ? 13.874 12.616  6.477   1 33.911 ? 309 HOH   B O    1 ? ? 
HETATM 3923 O O    . HOH   E 3 .   ? 20.79  8.947   7.278   1 45.224 ? 310 HOH   B O    1 ? ? 
HETATM 3924 O O    . HOH   E 3 .   ? 6.671  7.667   -19.63  1 35.709 ? 311 HOH   B O    1 ? ? 
HETATM 3925 O O    . HOH   E 3 .   ? 31.938 -4.908  4.358   1 44.261 ? 312 HOH   B O    1 ? ? 
HETATM 3926 O O    . HOH   E 3 .   ? 9.491  6.942   -13.155 1 32.527 ? 313 HOH   B O    1 ? ? 
HETATM 3927 O O    . HOH   E 3 .   ? 26.871 3.715   -11.116 1 45.551 ? 314 HOH   B O    1 ? ? 
HETATM 3928 O O    . HOH   E 3 .   ? 6.947  6.256   1.068   1 42.177 ? 315 HOH   B O    1 ? ? 
HETATM 3929 O O    . HOH   E 3 .   ? 11.329 6.829   -0.596  1 32.544 ? 316 HOH   B O    1 ? ? 
HETATM 3930 O O    . HOH   E 3 .   ? 11.001 5.966   -11.04  1 31.717 ? 317 HOH   B O    1 ? ? 
HETATM 3931 O O    . HOH   E 3 .   ? 17.841 -0.389  9.367   1 44.41  ? 318 HOH   B O    1 ? ? 
HETATM 3932 O O    . HOH   E 3 .   ? 12.155 12.567  -15.769 1 44.687 ? 319 HOH   B O    1 ? ? 
HETATM 3933 O O    . HOH   E 3 .   ? 10.464 6.122   7.826   1 34.798 ? 320 HOH   B O    1 ? ? 
HETATM 3934 O O    . HOH   E 3 .   ? 7.414  -7.01   -0.642  1 52.82  ? 321 HOH   B O    1 ? ? 
HETATM 3935 O O    . HOH   E 3 .   ? 20.802 -16.89  -8.852  1 41.985 ? 322 HOH   B O    1 ? ? 
HETATM 3936 O O    . HOH   E 3 .   ? 18.248 7.975   -10.984 1 31.206 ? 323 HOH   B O    1 ? ? 
HETATM 3937 O O    . HOH   E 3 .   ? 22.349 1.592   7.217   1 37.689 ? 324 HOH   B O    1 ? ? 
HETATM 3938 O O    . HOH   E 3 .   ? 21.944 -10.516 -12.918 1 49.412 ? 325 HOH   B O    1 ? ? 
HETATM 3939 O O    . HOH   E 3 .   ? 10.839 14.501  -2.146  1 39.639 ? 326 HOH   B O    1 ? ? 
HETATM 3940 O O    . HOH   E 3 .   ? 13.011 3.515   -21.776 1 38.033 ? 327 HOH   B O    1 ? ? 
HETATM 3941 O O    . HOH   E 3 .   ? 9.51   6.486   -20.803 1 31.694 ? 328 HOH   B O    1 ? ? 
HETATM 3942 O O    . HOH   E 3 .   ? 12.306 10.52   7.416   1 40.81  ? 329 HOH   B O    1 ? ? 
HETATM 3943 O O    . HOH   E 3 .   ? 7.619  10.571  2.276   1 38.657 ? 330 HOH   B O    1 ? ? 
HETATM 3944 O O    . HOH   E 3 .   ? 13.287 8.456   8.681   1 37.451 ? 331 HOH   B O    1 ? ? 
HETATM 3945 O O    . HOH   E 3 .   ? 9.917  -4.893  -20.428 1 51.205 ? 332 HOH   B O    1 ? ? 
HETATM 3946 O O    . HOH   E 3 .   ? 10.662 -3.614  4.866   1 45.625 ? 333 HOH   B O    1 ? ? 
HETATM 3947 O O    . HOH   E 3 .   ? 19.845 4.31    -14.921 1 52.301 ? 334 HOH   B O    1 ? ? 
HETATM 3948 O O    . HOH   E 3 .   ? 24.677 -2.94   9.716   1 50.274 ? 335 HOH   B O    1 ? ? 
HETATM 3949 O O    . HOH   F 3 .   ? -1.414 22.841  -33.266 1 41.616 ? 301 HOH   A O    1 ? ? 
HETATM 3950 O O    . HOH   F 3 .   ? -0.661 2.254   -24.645 1 53.531 ? 302 HOH   A O    1 ? ? 
HETATM 3951 O O    . HOH   F 3 .   ? 23.866 19.644  -37.426 1 40.873 ? 303 HOH   A O    1 ? ? 
HETATM 3952 O O    . HOH   F 3 .   ? 27.793 14.845  -31.381 1 47.51  ? 304 HOH   A O    1 ? ? 
HETATM 3953 O O    . HOH   F 3 .   ? 17.115 15.728  -39.805 1 37.56  ? 305 HOH   A O    1 ? ? 
HETATM 3954 O O    . HOH   F 3 .   ? 1.649  1.754   -32.995 1 44.522 ? 306 HOH   A O    1 ? ? 
HETATM 3955 O O    . HOH   F 3 .   ? 5.334  3.179   -41.025 1 39.497 ? 307 HOH   A O    1 ? ? 
HETATM 3956 O O    . HOH   F 3 .   ? 2.357  9.707   -42.172 1 38.626 ? 308 HOH   A O    1 ? ? 
HETATM 3957 O O    . HOH   F 3 .   ? -0.509 8.593   -21.541 1 33.906 ? 309 HOH   A O    1 ? ? 
HETATM 3958 O O    . HOH   F 3 .   ? -4.209 8.601   -27.952 1 35.624 ? 310 HOH   A O    1 ? ? 
HETATM 3959 O O    . HOH   F 3 .   ? 2.536  8.994   -33.992 1 34.248 ? 311 HOH   A O    1 ? ? 
HETATM 3960 O O    . HOH   F 3 .   ? 17.335 11.375  -22.362 1 35.02  ? 312 HOH   A O    1 ? ? 
HETATM 3961 O O    . HOH   F 3 .   ? 6.181  1.632   -24.227 1 41.727 ? 313 HOH   A O    1 ? ? 
HETATM 3962 O O    . HOH   F 3 .   ? 2.776  19.75   -39.242 1 44.109 ? 314 HOH   A O    1 ? ? 
HETATM 3963 O O    . HOH   F 3 .   ? 1.227  9.607   -23.466 1 29.04  ? 315 HOH   A O    1 ? ? 
HETATM 3964 O O    . HOH   F 3 .   ? 12.008 7.949   -20.872 1 30.146 ? 316 HOH   A O    1 ? ? 
HETATM 3965 O O    . HOH   F 3 .   ? 14.267 13.566  -40.542 1 35.976 ? 317 HOH   A O    1 ? ? 
HETATM 3966 O O    . HOH   F 3 .   ? 5.714  28.382  -34.385 1 39.1   ? 318 HOH   A O    1 ? ? 
HETATM 3967 O O    . HOH   F 3 .   ? 16.461 22.801  -19.146 1 41.56  ? 319 HOH   A O    1 ? ? 
HETATM 3968 O O    . HOH   F 3 .   ? -2.293 8.532   -31.932 1 33.868 ? 320 HOH   A O    1 ? ? 
HETATM 3969 O O    . HOH   F 3 .   ? -0.838 9.21    -43.604 1 42.662 ? 321 HOH   A O    1 ? ? 
HETATM 3970 O O    . HOH   F 3 .   ? 13.261 -0.198  -39.293 1 53.174 ? 322 HOH   A O    1 ? ? 
HETATM 3971 O O    . HOH   F 3 .   ? 29.670 13.629  -29.009 1 37.99  ? 323 HOH   A O    1 ? ? 
HETATM 3972 O O    . HOH   F 3 .   ? 12.602 3.478   -32.735 1 47.332 ? 324 HOH   A O    1 ? ? 
HETATM 3973 O O    . HOH   F 3 .   ? 8.41   7.139   -23.169 1 33.614 ? 325 HOH   A O    1 ? ? 
HETATM 3974 O O    . HOH   F 3 .   ? 10.479 1.216   -32.626 1 38.303 ? 326 HOH   A O    1 ? ? 
HETATM 3975 O O    . HOH   F 3 .   ? 13.826 24.697  -44.476 1 44.032 ? 327 HOH   A O    1 ? ? 
HETATM 3976 O O    . HOH   F 3 .   ? 0.841  15.182  -13.093 1 41.041 ? 328 HOH   A O    1 ? ? 
HETATM 3977 O O    . HOH   F 3 .   ? 26.302 21.823  -32.753 1 61.006 ? 329 HOH   A O    1 ? ? 
HETATM 3978 O O    . HOH   F 3 .   ? -3.942 23.679  -25.718 1 56.584 ? 330 HOH   A O    1 ? ? 
HETATM 3979 O O    . HOH   F 3 .   ? 8.786  26.162  -31.12  1 49.016 ? 331 HOH   A O    1 ? ? 
HETATM 3980 O O    . HOH   F 3 .   ? 4.007  5.262   -42.039 1 38.952 ? 332 HOH   A O    1 ? ? 
HETATM 3981 O O    . HOH   F 3 .   ? -1.324 5.494   -37.244 1 41.271 ? 333 HOH   A O    1 ? ? 
HETATM 3982 O O    . HOH   F 3 .   ? -5.142 20.601  -34.305 1 48.503 ? 334 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   F 3 .   ? 26.492 21.026  -36.462 1 48.363 ? 335 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   F 3 .   ? -0.394 9.103   -34.139 1 43.504 ? 336 HOH   A O    1 ? ? 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N    . GLY   A 1   ? 0.50765  0.636732 0.614379 -0.109664   0.059001    0.0613911   13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.580699 0.660501 0.655574 -0.111931   0.0592204   0.0697938   13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.604988 0.664806 0.648675 -0.0909981  0.0462343   0.0634055   13  GLY   B C    
4    O O    . GLY   A 1   ? 0.536625 0.614173 0.572259 -0.074692   0.0455779   0.0594068   13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.533902 0.67961  0.663147 -0.123116   0.0669524   0.0651509   13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.512511 0.644927 0.626115 -0.10719    0.0456191   0.0512096   13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.520734 0.661024 0.617949 -0.0967822  0.0642809   0.062565    13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.591073 0.666104 0.656396 -0.113772   0.0730034   0.081687    13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.583426 0.648281 0.66681  -0.124995   0.0540774   0.0677651   13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.626929 0.651508 0.655806 -0.0921325  0.0360048   0.061196    14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.58021  0.584734 0.579495 -0.0751158  0.0286836   0.0604404   14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.489699 0.513069 0.487909 -0.0613933  0.0182743   0.0488352   14  ALA   B C    
13   O O    . ALA   A 2   ? 0.522644 0.546077 0.501627 -0.0483854  0.0188714   0.050509    14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.660754 0.629767 0.64859  -0.0770364  0.0211574   0.059238    14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.622085 0.635888 0.660022 -0.103657   0.0337462   0.0597681   14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.59454  0.595762 0.579777 -0.0702847  0.0367027   0.0694929   14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.657132 0.609924 0.641989 -0.0835887  0.0281803   0.0675703   14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.633828 0.603412 0.632073 -0.0822296  0.0137088   0.0503614   14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.631157 0.592548 0.603402 -0.0659968  0.0169034   0.0590071   14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.480624 0.515748 0.494722 -0.0628209  0.00685656  0.0367956   15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.509484 0.554764 0.516814 -0.0479703  -0.0026388  0.0280392   15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.480865 0.55017  0.489002 -0.0376191  0.00597441  0.0294934   15  PRO   B C    
23   O O    . PRO   A 3   ? 0.437946 0.500759 0.42564  -0.0241712  0.00313608  0.0271312   15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.479213 0.535812 0.505669 -0.052465   -0.0155043  0.0169772   15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.544113 0.581965 0.575959 -0.0690641  -0.0159994  0.0178891   15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.513688 0.548422 0.548235 -0.0778099  0.00050634  0.0306495   15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.488467 0.515873 0.477778 -0.042277   -0.00692464 0.0280058   15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.494209 0.576152 0.539184 -0.0526009  -0.0140534  0.0149972   15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.490758 0.538999 0.505467 -0.0445809  -0.0243199  0.0119754   15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.524039 0.573716 0.572817 -0.07629    -0.0219814  0.011948    15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.523151 0.538516 0.538412 -0.0662911  -0.0204472  0.0166012   15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.519979 0.575415 0.575404 -0.0860957  0.00543093  0.0316251   15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.528771 0.540011 0.555864 -0.0839816  0.00140957  0.0335237   15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.491641 0.588346 0.523199 -0.0444948  0.0175164   0.0331226   16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.47356  0.595078 0.505485 -0.0327609  0.0284883   0.0339583   16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.455985 0.558456 0.453582 -0.0248469  0.0371068   0.0416789   16  ALA   B C    
37   O O    . ALA   A 4   ? 0.465234 0.572211 0.445771 -0.00935874 0.0393688   0.0378121   16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.519014 0.676449 0.586267 -0.0445681  0.0418381   0.0383164   16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.489387 0.589447 0.536888 -0.0567766  0.019113    0.0348285   16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.472096 0.599865 0.503575 -0.0217694  0.0207375   0.0259525   16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.499872 0.670312 0.589218 -0.0498792  0.0336379   0.0324205   16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.517218 0.66522  0.583323 -0.0561439  0.0500772   0.0470375   16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.511029 0.68813  0.579949 -0.0352843  0.0504892   0.0383938   16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.510742 0.591413 0.496906 -0.034766   0.0419141   0.0525981   17  THR   B N    
45   C CA   . THR   A 5   ? 0.477223 0.541634 0.430607 -0.0274773  0.0483871   0.06143     17  THR   B CA   
46   C C    . THR   A 5   ? 0.474211 0.520785 0.404255 -0.0154574  0.0330163   0.0534203   17  THR   B C    
47   O O    . THR   A 5   ? 0.481041 0.523082 0.385237 -0.00480013 0.0334864   0.0532386   17  THR   B O    
48   C CB   . THR   A 5   ? 0.544177 0.586919 0.492398 -0.0393859  0.0545222   0.075477    17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.527246 0.588065 0.496497 -0.0521001  0.0711522   0.0834345   17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.624238 0.648309 0.536574 -0.0305144  0.0576832   0.0859996   17  THR   B CG2  
51   H H    . THR   A 5   ? 0.487948 0.562685 0.485743 -0.0456034  0.0404037   0.0544449   17  THR   B H    
52   H HA   . THR   A 5   ? 0.506412 0.585648 0.456551 -0.0226127  0.0585701   0.0632844   17  THR   B HA   
53   H HB   . THR   A 5   ? 0.529904 0.559477 0.484468 -0.0444893  0.0460722   0.0728905   17  THR   B HB   
55   H HG21 . THR   A 5   ? 0.620215 0.631721 0.530149 -0.0372505  0.0637581   0.0964739   17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.614964 0.650601 0.517034 -0.0240894  0.0648658   0.0867282   17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.596687 0.609655 0.49805  -0.0242105  0.0461999   0.0815534   17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.44725  0.482008 0.384986 -0.0186375  0.0192717   0.0469941   18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.456604 0.476213 0.375703 -0.0103058  0.00632828  0.040729    18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.50762  0.536067 0.421343 0.00098839  0.00291723  0.0302754   18  VAL   B C    
61   O O    . VAL   A 6   ? 0.484496 0.501712 0.374843 0.00854421  -0.00191655 0.0272414   18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.460231 0.465535 0.385351 -0.0150014  -0.00490925 0.0371131   18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.425768 0.419506 0.33422  -0.00850764 -0.0156308  0.0320742   18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.489015 0.480929 0.417173 -0.0231211  -0.00136756 0.0459523   18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.448884 0.484753 0.402481 -0.0265077  0.018318    0.046557    18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.474116 0.485797 0.377195 -0.00786815 0.00732115  0.0457636   18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.448633 0.461069 0.386919 -0.0168804  -0.0071913  0.0318726   18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.443242 0.435054 0.338654 -0.00518008 -0.0147721  0.0348698   18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.432784 0.42926  0.341517 -0.00471827 -0.0192685  0.0254836   18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.429891 0.415096 0.340104 -0.0115649  -0.019685   0.0327307   18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.475495 0.458684 0.405482 -0.0243445  -0.00739547 0.0428335   18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.485776 0.482734 0.425536 -0.029582   0.00480912  0.0483859   18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.490033 0.476283 0.405791 -0.0201048  0.00070168  0.0522274   18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.495529 0.542591 0.4303   0.00265195  0.00388857  0.024281    19  THR   B N    
75   C CA   . THR   A 7   ? 0.490289 0.545458 0.420106 0.0171839   0.00246023  0.0150598   19  THR   B CA   
76   C C    . THR   A 7   ? 0.479777 0.537398 0.38787  0.0265589   0.0133261   0.0163479   19  THR   B C    
77   O O    . THR   A 7   ? 0.448195 0.491477 0.332023 0.0383215   0.00816883  0.00850699  19  THR   B O    
78   C CB   . THR   A 7   ? 0.509332 0.59346  0.47054  0.0185893   0.00442757  0.0112317   19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.50986  0.58546  0.480926 0.0124553   -0.00922314 0.00796791  19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.539288 0.636244 0.498236 0.0373988   0.00621472  0.00296969  19  THR   B CG2  
81   H H    . THR   A 7   ? 0.487698 0.542099 0.440115 -0.00476103 0.00474962  0.0256507   19  THR   B H    
82   H HA   . THR   A 7   ? 0.490016 0.529394 0.408993 0.0206195   -0.00740438 0.0102336   19  THR   B HA   
83   H HB   . THR   A 7   ? 0.51009  0.610204 0.486211 0.0111103   0.0139083   0.0167847   19  THR   B HB   
85   H HG21 . THR   A 7   ? 0.527827 0.640978 0.506887 0.0395601   0.0026286   -0.00026504 19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.540086 0.615847 0.478037 0.0445161   -0.00087219 -0.00151206 19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.542862 0.652549 0.500528 0.0407891   0.0180647   0.0053214   19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.467238 0.539888 0.381003 0.020821    0.028623    0.0262449   20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.513486 0.592185 0.404982 0.0308854   0.0421006   0.0282233   20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.57     0.621707 0.423119 0.0330997   0.0358161   0.0305353   20  GLU   B C    
91   O O    . GLU   A 8   ? 0.584676 0.630415 0.408078 0.0457772   0.0376755   0.0246415   20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.548679 0.650974 0.454017 0.0235647   0.0631292   0.0406094   20  GLU   B CB   
93   H H    . GLU   A 8   ? 0.470223 0.547683 0.399859 0.0104855   0.0311937   0.0319483   20  GLU   B H    
94   H HA   . GLU   A 8   ? 0.526209 0.61093  0.415364 0.042349    0.0421835   0.0198336   20  GLU   B HA   
97   N N    . GLN   A 9   ? 0.520868 0.55774  0.374188 0.02196     0.0284566   0.0386293   21  GLN   B N    
98   C CA   . GLN   A 9   ? 0.546462 0.567076 0.369588 0.0232966   0.0249799   0.0452893   21  GLN   B CA   
99   C C    . GLN   A 9   ? 0.529372 0.532331 0.34804  0.0206274   0.00584603  0.0409683   21  GLN   B C    
100  O O    . GLN   A 9   ? 0.529042 0.522201 0.325419 0.0226484   -0.00134405 0.0444419   21  GLN   B O    
101  C CB   . GLN   A 9   ? 0.54984  0.569711 0.372905 0.0157987   0.035846    0.0624432   21  GLN   B CB   
102  C CG   . GLN   A 9   ? 0.594542 0.632458 0.420798 0.0154372   0.0577302   0.070137    21  GLN   B CG   
103  C CD   . GLN   A 9   ? 0.614474 0.644646 0.440881 0.00522656  0.0684014   0.0887439   21  GLN   B CD   
104  O OE1  . GLN   A 9   ? 0.627797 0.637407 0.442919 0.00374231  0.0593828   0.0959936   21  GLN   B OE1  
105  N NE2  . GLN   A 9   ? 0.634653 0.681396 0.476268 -0.00213523 0.0881668   0.0971486   21  GLN   B NE2  
106  H H    . GLN   A 9   ? 0.515173 0.552924 0.387599 0.0144559   0.0254296   0.0399057   21  GLN   B H    
107  H HA   . GLN   A 9   ? 0.562236 0.582613 0.364148 0.0319684   0.0275824   0.0415871   21  GLN   B HA   
108  H HB2  . GLN   A 9   ? 0.542479 0.559406 0.384276 0.00770676  0.0331672   0.0652496   21  GLN   B HB2  
109  H HB3  . GLN   A 9   ? 0.571074 0.580295 0.372519 0.0191049   0.0311588   0.0664027   21  GLN   B HB3  
110  H HG2  . GLN   A 9   ? 0.608507 0.648125 0.412289 0.0248033   0.061751    0.0678549   21  GLN   B HG2  
111  H HG3  . GLN   A 9   ? 0.576114 0.628894 0.42626  0.012772    0.0614081   0.0653958   21  GLN   B HG3  
112  H HE21 . GLN   A 9   ? 0.636724 0.677853 0.486664 -0.0116705  0.0937286   0.106812    21  GLN   B HE21 
113  H HE22 . GLN   A 9   ? 0.635444 0.699099 0.479658 0.00222962  0.0963205   0.0932174   21  GLN   B HE22 
114  N N    . GLY   A 10  ? 0.505834 0.507057 0.346111 0.0158275   -0.00208698 0.0346972   22  GLY   B N    
115  C CA   . GLY   A 10  ? 0.492751 0.481164 0.33325  0.0111337   -0.0160466  0.033828    22  GLY   B CA   
116  C C    . GLY   A 10  ? 0.490112 0.467321 0.31033  0.0151666   -0.0284883  0.0238937   22  GLY   B C    
117  O O    . GLY   A 10  ? 0.504132 0.477558 0.311645 0.0223785   -0.0283048  0.0144302   22  GLY   B O    
118  H H    . GLY   A 10  ? 0.497868 0.506968 0.352232 0.0158922   0.00116969  0.0312453   22  GLY   B H    
119  H HA2  . GLY   A 10  ? 0.492869 0.479693 0.331077 0.0090151   -0.0154785  0.0418524   22  GLY   B HA2  
120  H HA3  . GLY   A 10  ? 0.474785 0.46317  0.331572 0.00699425  -0.0178929  0.0320379   22  GLY   B HA3  
121  N N    . GLU   A 11  ? 0.525923 0.497866 0.343164 0.0105245   -0.039427   0.0262419   23  GLU   B N    
122  C CA   . GLU   A 11  ? 0.524403 0.485953 0.328111 0.00891181  -0.0533825  0.0171292   23  GLU   B CA   
123  C C    . GLU   A 11  ? 0.50214  0.454738 0.319741 0.00305813  -0.0581932  0.0110857   23  GLU   B C    
124  O O    . GLU   A 11  ? 0.470071 0.427421 0.308154 -0.00179366 -0.0554532  0.0164807   23  GLU   B O    
125  C CB   . GLU   A 11  ? 0.479265 0.44736  0.28415  0.00500984  -0.0621614  0.0244187   23  GLU   B CB   
126  C CG   . GLU   A 11  ? 0.624652 0.587972 0.425902 -0.00209069 -0.0783201  0.0165466   23  GLU   B CG   
127  C CD   . GLU   A 11  ? 0.732819 0.710769 0.540791 -0.00540664 -0.0894561  0.0228781   23  GLU   B CD   
128  O OE1  . GLU   A 11  ? 0.714926 0.705366 0.53384  -0.00115936 -0.0856052  0.0348691   23  GLU   B OE1  
129  O OE2  . GLU   A 11  ? 0.663311 0.638667 0.465917 -0.0127581  -0.103595   0.0144753   23  GLU   B OE2  
130  H H    . GLU   A 11  ? 0.506538 0.481944 0.331734 0.00797969  -0.0381384  0.0337562   23  GLU   B H    
131  H HA   . GLU   A 11  ? 0.534979 0.491443 0.320037 0.0143187   -0.0536649  0.0112764   23  GLU   B HA   
132  H HB2  . GLU   A 11  ? 0.530242 0.501269 0.321478 0.00992996  -0.0603815  0.0285101   23  GLU   B HB2  
133  H HB3  . GLU   A 11  ? 0.500694 0.473897 0.322756 0.00239872  -0.0589701  0.0307661   23  GLU   B HB3  
134  H HG2  . GLU   A 11  ? 0.596023 0.554964 0.409424 -0.00732624 -0.0786156  0.0139467   23  GLU   B HG2  
135  H HG3  . GLU   A 11  ? 0.62722  0.581456 0.409211 0.00029267  -0.0821331  0.00883791  23  GLU   B HG3  
136  N N    . ASP   A 12  ? 0.482077 0.418261 0.285196 0.00377784  -0.065301   0.00040872  24  ASP   B N    
137  C CA   . ASP   A 12  ? 0.461531 0.38388  0.272359 -0.00191741 -0.0699442  -0.00330667 24  ASP   B CA   
138  C C    . ASP   A 12  ? 0.514215 0.435793 0.331181 -0.0150523  -0.0798534  -0.00120835 24  ASP   B C    
139  O O    . ASP   A 12  ? 0.484416 0.399926 0.28802  -0.0195432  -0.0900641  -0.00653659 24  ASP   B O    
140  C CB   . ASP   A 12  ? 0.553662 0.452719 0.343668 0.00493636  -0.0734431  -0.014925   24  ASP   B CB   
141  C CG   . ASP   A 12  ? 0.538251 0.416032 0.330022 0.0006924   -0.0780173  -0.017305   24  ASP   B CG   
142  O OD1  . ASP   A 12  ? 0.474066 0.357489 0.282836 -0.0089087  -0.0778584  -0.00994027 24  ASP   B OD1  
143  O OD2  . ASP   A 12  ? 0.576658 0.430423 0.350513 0.00832772  -0.0808331  -0.0259148  24  ASP   B OD2  
144  H H    . ASP   A 12  ? 0.506294 0.437124 0.291855 0.00821723  -0.067143   -0.00458464 24  ASP   B H    
145  H HA   . ASP   A 12  ? 0.469095 0.397284 0.293773 -0.00149505 -0.0645156  0.00055402  24  ASP   B HA   
146  H HB2  . ASP   A 12  ? 0.533657 0.437921 0.32196  0.0146349   -0.0664819  -0.0162688  24  ASP   B HB2  
147  H HB3  . ASP   A 12  ? 0.551986 0.442869 0.326277 0.00375067  -0.0795604  -0.0199185  24  ASP   B HB3  
148  N N    . ILE   A 13  ? 0.458883 0.390221 0.296976 -0.021198   -0.0768054  0.00642073  25  ILE   B N    
149  C CA   . ILE   A 13  ? 0.500128 0.438761 0.34988  -0.0329239  -0.083571   0.00959218  25  ILE   B CA   
150  C C    . ILE   A 13  ? 0.515457 0.437831 0.367418 -0.0429742  -0.0852576  0.00787082  25  ILE   B C    
151  O O    . ILE   A 13  ? 0.490677 0.423908 0.358619 -0.0538228  -0.08659    0.0126421   25  ILE   B O    
152  C CB   . ILE   A 13  ? 0.469211 0.430441 0.339749 -0.0313672  -0.0774836  0.0198871   25  ILE   B CB   
153  C CG1  . ILE   A 13  ? 0.481725 0.439729 0.360767 -0.0279405  -0.0668234  0.0230334   25  ILE   B CG1  
154  C CG2  . ILE   A 13  ? 0.549306 0.522309 0.413816 -0.022875   -0.0775547  0.0238418   25  ILE   B CG2  
155  C CD1  . ILE   A 13  ? 0.511988 0.485032 0.408635 -0.0265157  -0.0608549  0.031249    25  ILE   B CD1  
156  H H    . ILE   A 13  ? 0.463853 0.398345 0.309678 -0.0181202  -0.0703847  0.00927468  25  ILE   B H    
157  H HA   . ILE   A 13  ? 0.504387 0.444066 0.346382 -0.0350049  -0.0910742  0.00647881  25  ILE   B HA   
158  H HB   . ILE   A 13  ? 0.488295 0.45781  0.369448 -0.0380414  -0.0809855  0.0220088   25  ILE   B HB   
159  H HG12 . ILE   A 13  ? 0.483186 0.437918 0.35631  -0.0220686  -0.0634212  0.0215917   25  ILE   B HG12 
160  H HG13 . ILE   A 13  ? 0.487149 0.435215 0.364832 -0.0319472  -0.0672026  0.0208027   25  ILE   B HG13 
161  H HG21 . ILE   A 13  ? 0.516096 0.50066  0.39261  -0.0215481  -0.0753495  0.030437    25  ILE   B HG21 
162  H HG22 . ILE   A 13  ? 0.524567 0.492447 0.381903 -0.017118   -0.0716406  0.0233091   25  ILE   B HG22 
163  H HG23 . ILE   A 13  ? 0.538484 0.511849 0.393304 -0.0242935  -0.0856561  0.0205143   25  ILE   B HG23 
164  H HD11 . ILE   A 13  ? 0.498517 0.48022  0.403464 -0.0310255  -0.0638052  0.0331584   25  ILE   B HD11 
165  H HD12 . ILE   A 13  ? 0.492428 0.460394 0.391841 -0.0258075  -0.0554766  0.0314588   25  ILE   B HD12 
166  H HD13 . ILE   A 13  ? 0.497573 0.476017 0.393634 -0.0213044  -0.0594119  0.0343505   25  ILE   B HD13 
167  N N    . THR   A 14  ? 0.514079 0.411436 0.350366 -0.0388207  -0.084628   0.0021841   26  THR   B N    
168  C CA   . THR   A 14  ? 0.560871 0.434028 0.391407 -0.0476556  -0.0868553  0.00154064  26  THR   B CA   
169  C C    . THR   A 14  ? 0.60151  0.455924 0.420042 -0.0597485  -0.0980151  -0.00522365 26  THR   B C    
170  O O    . THR   A 14  ? 0.583667 0.432593 0.38686  -0.0551512  -0.104828   -0.0138502  26  THR   B O    
171  C CB   . THR   A 14  ? 0.586215 0.437344 0.40278  -0.036149   -0.0837581  -0.00105495 26  THR   B CB   
172  O OG1  . THR   A 14  ? 0.58066  0.416483 0.377982 -0.0256211  -0.0878304  -0.0108009  26  THR   B OG1  
173  C CG2  . THR   A 14  ? 0.558569 0.42783  0.388437 -0.0281046  -0.0753386  0.00453095  26  THR   B CG2  
174  H H    . THR   A 14  ? 0.524683 0.419732 0.353385 -0.0295788  -0.0823436  -0.00071375 26  THR   B H    
175  H HA   . THR   A 14  ? 0.548391 0.43125  0.392105 -0.053807   -0.0831487  0.00784207  26  THR   B HA   
176  H HB   . THR   A 14  ? 0.591837 0.425404 0.403139 -0.042361   -0.0849754  0.00053968  26  THR   B HB   
178  H HG21 . THR   A 14  ? 0.564926 0.423685 0.387442 -0.0203174  -0.075197   0.00248863  26  THR   B HG21 
179  H HG22 . THR   A 14  ? 0.54484  0.431    0.381757 -0.0242095  -0.0730173  0.00464574  26  THR   B HG22 
180  H HG23 . THR   A 14  ? 0.551794 0.425636 0.389721 -0.0345957  -0.0726155  0.00989106  26  THR   B HG23 
181  N N    . SER   A 15  ? 0.58442  0.425357 0.406816 -0.0755535  -0.0992961  -0.00171898 27  SER   B N    
182  C CA   . SER   A 15  ? 0.627592 0.446565 0.440164 -0.0914677  -0.110434   -0.00824501 27  SER   B CA   
183  C C    . SER   A 15  ? 0.665954 0.439982 0.445606 -0.0822367  -0.114622   -0.0182388  27  SER   B C    
184  O O    . SER   A 15  ? 0.643035 0.397619 0.405124 -0.0863385  -0.125544   -0.0294844  27  SER   B O    
185  C CB   . SER   A 15  ? 0.715883 0.536322 0.545505 -0.113746   -0.108796   -0.00016727 27  SER   B CB   
186  O OG   . SER   A 15  ? 0.708207 0.575623 0.570153 -0.117973   -0.104635   0.00776569  27  SER   B OG   
187  H H    . SER   A 15  ? 0.583974 0.428693 0.414518 -0.0771151  -0.0927996  0.00488431  27  SER   B H    
188  H HA   . SER   A 15  ? 0.638095 0.472175 0.453929 -0.0930967  -0.11697    -0.0121913  27  SER   B HA   
189  H HB2  . SER   A 15  ? 0.706006 0.510713 0.529866 -0.112268   -0.101928   0.00482869  27  SER   B HB2  
190  H HB3  . SER   A 15  ? 0.727607 0.532662 0.551457 -0.126163   -0.117171   -0.00522809 27  SER   B HB3  
192  N N    . LYS   A 16  ? 0.643029 0.401554 0.413694 -0.0683695  -0.106988   -0.0149478  28  LYS   B N    
193  C CA   . LYS   A 16  ? 0.72619  0.443144 0.467438 -0.0548054  -0.109875   -0.0230281  28  LYS   B CA   
194  C C    . LYS   A 16  ? 0.681778 0.406953 0.412185 -0.0343115  -0.110123   -0.0333662  28  LYS   B C    
195  O O    . LYS   A 16  ? 0.697255 0.389131 0.401368 -0.0227722  -0.113975   -0.0437999  28  LYS   B O    
196  C CB   . LYS   A 16  ? 0.770843 0.470969 0.505864 -0.0437785  -0.103619   -0.0156552  28  LYS   B CB   
197  C CG   . LYS   A 16  ? 0.948615 0.622008 0.679079 -0.0612523  -0.102815   -0.00641588 28  LYS   B CG   
198  C CD   . LYS   A 16  ? 0.996008 0.660023 0.719825 -0.050011   -0.0965592  0.0033345   28  LYS   B CD   
199  C CE   . LYS   A 16  ? 1.06387  0.728162 0.795388 -0.0703985  -0.0901387  0.0161531   28  LYS   B CE   
200  N NZ   . LYS   A 16  ? 1.18059  0.826495 0.89617  -0.0608254  -0.0853498  0.0259374   28  LYS   B NZ   
201  H H    . LYS   A 16  ? 0.636421 0.410828 0.419367 -0.0662453  -0.10023    -0.0076218  28  LYS   B H    
202  H HA   . LYS   A 16  ? 0.746317 0.436555 0.475327 -0.065292   -0.11638    -0.0272917  28  LYS   B HA   
203  H HB2  . LYS   A 16  ? 0.7621   0.489228 0.511667 -0.0378725  -0.0979664  -0.0108307  28  LYS   B HB2  
204  H HB3  . LYS   A 16  ? 0.809962 0.489757 0.52826  -0.0298506  -0.105581   -0.0215736  28  LYS   B HB3  
205  H HG2  . LYS   A 16  ? 0.953752 0.593843 0.667025 -0.0660508  -0.108483   -0.0112182  28  LYS   B HG2  
206  H HG3  . LYS   A 16  ? 0.904779 0.599134 0.652688 -0.0759736  -0.100923   -0.0018015  28  LYS   B HG3  
207  H HD2  . LYS   A 16  ? 0.967628 0.658061 0.702206 -0.0388576  -0.0933751  0.00366797  28  LYS   B HD2  
208  H HD3  . LYS   A 16  ? 1.02901  0.66039  0.732191 -0.0409342  -0.099908   0.0010503   28  LYS   B HD3  
209  H HE2  . LYS   A 16  ? 1.09512  0.738288 0.820918 -0.0848734  -0.0929615  0.0159839   28  LYS   B HE2  
210  H HE3  . LYS   A 16  ? 1.03906  0.737263 0.791508 -0.0758367  -0.0860629  0.0185194   28  LYS   B HE3  
211  H HZ1  . LYS   A 16  ? 1.17899  0.791084 0.874439 -0.0561269  -0.0891962  0.0251665   28  LYS   B HZ1  
212  H HZ2  . LYS   A 16  ? 1.12495  0.78917  0.845363 -0.0476137  -0.0844971  0.0247623   28  LYS   B HZ2  
213  H HZ3  . LYS   A 16  ? 1.14773  0.797209 0.867686 -0.0724233  -0.0795124  0.0340995   28  LYS   B HZ3  
214  N N    . LYS   A 17  ? 0.641427 0.407296 0.388732 -0.0309768  -0.106216   -0.0312203  29  LYS   B N    
215  C CA   . LYS   A 17  ? 0.609924 0.387184 0.348    -0.0120393  -0.102524   -0.0380556  29  LYS   B CA   
216  C C    . LYS   A 17  ? 0.640513 0.410059 0.374606 0.0081679   -0.0957369  -0.0389133  29  LYS   B C    
217  O O    . LYS   A 17  ? 0.611455 0.368362 0.32717  0.0251259   -0.0947105  -0.0485129  29  LYS   B O    
218  C CB   . LYS   A 17  ? 0.699156 0.458194 0.411467 -0.0130488  -0.111688   -0.0509459  29  LYS   B CB   
219  C CG   . LYS   A 17  ? 0.704006 0.486502 0.427103 -0.0292426  -0.118893   -0.0484578  29  LYS   B CG   
220  C CD   . LYS   A 17  ? 0.70784  0.527109 0.438982 -0.0183902  -0.111344   -0.043447   29  LYS   B CD   
221  C CE   . LYS   A 17  ? 0.856871 0.68642  0.576178 -0.0232786  -0.121525   -0.0477683  29  LYS   B CE   
222  N NZ   . LYS   A 17  ? 0.852016 0.713427 0.600579 -0.0353018  -0.123763   -0.0359761  29  LYS   B NZ   
223  H H    . LYS   A 17  ? 0.615969 0.402593 0.380387 -0.0400513  -0.104879   -0.0248     29  LYS   B H    
224  H HA   . LYS   A 17  ? 0.603777 0.409937 0.357152 -0.0123267  -0.0982219  -0.0326969  29  LYS   B HA   
225  H HB2  . LYS   A 17  ? 0.719868 0.447089 0.417125 -0.0168366  -0.117536   -0.0565119  29  LYS   B HB2  
226  H HB3  . LYS   A 17  ? 0.695118 0.457833 0.397118 0.00138729  -0.107503   -0.055785   29  LYS   B HB3  
227  H HG2  . LYS   A 17  ? 0.691731 0.482467 0.433112 -0.0414315  -0.119317   -0.041037   29  LYS   B HG2  
228  H HG3  . LYS   A 17  ? 0.73818  0.503126 0.444048 -0.0343002  -0.128135   -0.0573129  29  LYS   B HG3  
229  H HD2  . LYS   A 17  ? 0.730212 0.546878 0.451999 -0.00424557 -0.104553   -0.0463949  29  LYS   B HD2  
230  H HD3  . LYS   A 17  ? 0.699772 0.539207 0.452766 -0.0214561  -0.106109   -0.0338115  29  LYS   B HD3  
231  H HE2  . LYS   A 17  ? 0.85609  0.664471 0.559772 -0.0297464  -0.131577   -0.0567736  29  LYS   B HE2  
232  H HE3  . LYS   A 17  ? 0.83128  0.667876 0.538954 -0.0114424  -0.116576   -0.0490852  29  LYS   B HE3  
233  H HZ1  . LYS   A 17  ? 0.837122 0.695033 0.598469 -0.0456103  -0.1257     -0.033691   29  LYS   B HZ1  
234  H HZ2  . LYS   A 17  ? 0.819798 0.697898 0.579391 -0.0287743  -0.114993   -0.0285325  29  LYS   B HZ2  
235  H HZ3  . LYS   A 17  ? 0.854131 0.72232  0.596822 -0.0386247  -0.132015   -0.0382773  29  LYS   B HZ3  
236  N N    . ASP   A 18  ? 0.618654 0.399916 0.370838 0.00752799  -0.091222   -0.0291723  30  ASP   B N    
237  C CA   . ASP   A 18  ? 0.657226 0.438786 0.411084 0.0254424   -0.0875433  -0.0287117  30  ASP   B CA   
238  C C    . ASP   A 18  ? 0.612117 0.43662  0.391384 0.0310626   -0.0793498  -0.0241462  30  ASP   B C    
239  O O    . ASP   A 18  ? 0.575202 0.408664 0.364042 0.0409615   -0.0780235  -0.0220117  30  ASP   B O    
240  C CB   . ASP   A 18  ? 0.670386 0.428455 0.419832 0.0214452   -0.0907777  -0.0218945  30  ASP   B CB   
241  C CG   . ASP   A 18  ? 0.667355 0.442742 0.434285 0.0041988   -0.0877976  -0.0111809  30  ASP   B CG   
242  O OD1  . ASP   A 18  ? 0.574579 0.383439 0.361152 -0.00053571 -0.0831631  -0.00879859 30  ASP   B OD1  
243  O OD2  . ASP   A 18  ? 0.666966 0.420218 0.425643 -0.0038016  -0.089156   -0.00503533 30  ASP   B OD2  
244  H H    . ASP   A 18  ? 0.611192 0.402066 0.375162 -0.00399243 -0.0908954  -0.0228774  30  ASP   B H    
245  H HA   . ASP   A 18  ? 0.670189 0.43753  0.409745 0.0374232   -0.0885675  -0.0360358  30  ASP   B HA   
246  H HB2  . ASP   A 18  ? 0.676142 0.435839 0.426174 0.0346363   -0.0902337  -0.0217908  30  ASP   B HB2  
247  H HB3  . ASP   A 18  ? 0.704611 0.431825 0.436804 0.0177747   -0.0953735  -0.0244991  30  ASP   B HB3  
248  N N    . ARG   A 19  ? 0.567936 0.417605 0.358062 0.0236465   -0.0750438  -0.0218921  31  ARG   B N    
249  C CA   . ARG   A 19  ? 0.566411 0.4515   0.379189 0.025637    -0.0665434  -0.0166026  31  ARG   B CA   
250  C C    . ARG   A 19  ? 0.502353 0.396341 0.332615 0.020647    -0.0661706  -0.00985735 31  ARG   B C    
251  O O    . ARG   A 19  ? 0.502429 0.420662 0.351189 0.022173    -0.060852   -0.00713778 31  ARG   B O    
252  C CB   . ARG   A 19  ? 0.551584 0.452776 0.36688  0.0418916   -0.0595316  -0.0213612  31  ARG   B CB   
253  C CG   . ARG   A 19  ? 0.612842 0.504286 0.405117 0.0491083   -0.0581229  -0.0290821  31  ARG   B CG   
254  C CD   . ARG   A 19  ? 0.657139 0.570315 0.452673 0.065945    -0.0468094  -0.0327276  31  ARG   B CD   
255  N NE   . ARG   A 19  ? 0.598774 0.548916 0.425352 0.0635868   -0.0373605  -0.0247177  31  ARG   B NE   
256  C CZ   . ARG   A 19  ? 0.609451 0.582804 0.444579 0.0578358   -0.0268364  -0.0179291  31  ARG   B CZ   
257  N NH1  . ARG   A 19  ? 0.56876  0.533363 0.383873 0.0527319   -0.0267387  -0.016185   31  ARG   B NH1  
258  N NH2  . ARG   A 19  ? 0.60211  0.606113 0.465913 0.0557427   -0.0177683  -0.012123   31  ARG   B NH2  
259  H H    . ARG   A 19  ? 0.587468 0.430604 0.369859 0.0167753   -0.0780504  -0.0235078  31  ARG   B H    
260  H HA   . ARG   A 19  ? 0.540942 0.435153 0.356041 0.0188545   -0.0650379  -0.0139677  31  ARG   B HA   
261  H HB2  . ARG   A 19  ? 0.570706 0.466735 0.386398 0.0505235   -0.0614657  -0.0238256  31  ARG   B HB2  
262  H HB3  . ARG   A 19  ? 0.545287 0.469115 0.376617 0.0397455   -0.0536139  -0.0169612  31  ARG   B HB3  
263  H HG2  . ARG   A 19  ? 0.608432 0.503469 0.398089 0.0406109   -0.0583884  -0.0264443  31  ARG   B HG2  
264  H HG3  . ARG   A 19  ? 0.634587 0.500535 0.410187 0.0513739   -0.0644425  -0.0346527  31  ARG   B HG3  
265  H HD2  . ARG   A 19  ? 0.654985 0.566339 0.435693 0.0676161   -0.0440649  -0.0354099  31  ARG   B HD2  
266  H HD3  . ARG   A 19  ? 0.657185 0.560017 0.44683  0.0776085   -0.0484599  -0.0384456  31  ARG   B HD3  
267  H HE   . ARG   A 19  ? 0.602155 0.558433 0.442098 0.0654935   -0.039005   -0.0240663  31  ARG   B HE   
268  H HH11 . ARG   A 19  ? 0.584433 0.534673 0.391756 0.0460328   -0.0346197  -0.0161665  31  ARG   B HH11 
269  H HH12 . ARG   A 19  ? 0.591286 0.565601 0.401076 0.0561829   -0.0189325  -0.0147758  31  ARG   B HH12 
270  H HH21 . ARG   A 19  ? 0.592923 0.605212 0.470721 0.0593001   -0.0193425  -0.0138304  31  ARG   B HH21 
271  H HH22 . ARG   A 19  ? 0.593502 0.608808 0.461953 0.0503505   -0.0107499  -0.00649996 31  ARG   B HH22 
272  N N    . GLY   A 20  ? 0.548301 0.424144 0.372793 0.0107583   -0.0708202  -0.00635726 32  GLY   B N    
273  C CA   . GLY   A 20  ? 0.519793 0.398264 0.352594 0.00677782  -0.0704052  -0.00067642 32  GLY   B CA   
274  C C    . GLY   A 20  ? 0.546379 0.448528 0.397579 -0.00099959 -0.0644044  0.00435169  32  GLY   B C    
275  O O    . GLY   A 20  ? 0.457912 0.367788 0.317709 -0.0013976  -0.0627971  0.00640409  32  GLY   B O    
276  H H    . GLY   A 20  ? 0.547055 0.408713 0.361511 0.00574821  -0.0739895  -0.00758863 32  GLY   B H    
277  H HA2  . GLY   A 20  ? 0.537282 0.41766  0.371221 0.0152926   -0.0717246  -0.00238886 32  GLY   B HA2  
278  H HA3  . GLY   A 20  ? 0.545572 0.40727  0.369453 0.00120683  -0.0727665  0.00152593  32  GLY   B HA3  
279  N N    . VAL   A 21  ? 0.458828 0.369144 0.313247 -0.00689083 -0.0623121  0.00617764  33  VAL   B N    
280  C CA   . VAL   A 21  ? 0.419714 0.346896 0.288142 -0.0119948  -0.0571794  0.0118733   33  VAL   B CA   
281  C C    . VAL   A 21  ? 0.512368 0.450561 0.380077 -0.00949932 -0.0552693  0.01215     33  VAL   B C    
282  O O    . VAL   A 21  ? 0.466158 0.399101 0.32315  -0.011293   -0.0602536  0.0100772   33  VAL   B O    
283  C CB   . VAL   A 21  ? 0.505338 0.431561 0.37754  -0.0210533  -0.0571645  0.0169333   33  VAL   B CB   
284  C CG1  . VAL   A 21  ? 0.479874 0.421713 0.366031 -0.0215952  -0.0513205  0.0225208   33  VAL   B CG1  
285  C CG2  . VAL   A 21  ? 0.495035 0.406828 0.361057 -0.0238512  -0.0573763  0.0178197   33  VAL   B CG2  
286  H H    . VAL   A 21  ? 0.483133 0.386462 0.328906 -0.00678406 -0.065039   0.00349116  33  VAL   B H    
287  H HA   . VAL   A 21  ? 0.447345 0.380099 0.322848 -0.0102057  -0.0544571  0.0124228   33  VAL   B HA   
288  H HB   . VAL   A 21  ? 0.488765 0.413029 0.35715  -0.024455   -0.0607653  0.016278    33  VAL   B HB   
289  H HG11 . VAL   A 21  ? 0.478816 0.421273 0.36792  -0.0189436  -0.0484007  0.0220017   33  VAL   B HG11 
290  H HG12 . VAL   A 21  ? 0.482568 0.4314   0.369834 -0.0204843  -0.0517393  0.0237773   33  VAL   B HG12 
291  H HG13 . VAL   A 21  ? 0.4824   0.425673 0.372502 -0.0252647  -0.0501278  0.0253722   33  VAL   B HG13 
292  H HG21 . VAL   A 21  ? 0.498791 0.41387  0.369384 -0.0293855  -0.0549545  0.021615    33  VAL   B HG21 
293  H HG22 . VAL   A 21  ? 0.513319 0.411572 0.368979 -0.0237863  -0.061333   0.0154972   33  VAL   B HG22 
294  H HG23 . VAL   A 21  ? 0.496621 0.408992 0.36344  -0.0198461  -0.0559038  0.0170887   33  VAL   B HG23 
295  N N    . LEU   A 22  ? 0.450913 0.402298 0.327657 -0.00613597 -0.0485808  0.0143903   34  LEU   B N    
296  C CA   . LEU   A 22  ? 0.461123 0.422106 0.334047 -0.00304888 -0.0439009  0.0170203   34  LEU   B CA   
297  C C    . LEU   A 22  ? 0.418713 0.38641  0.301054 -0.00691429 -0.0390523  0.0260658   34  LEU   B C    
298  O O    . LEU   A 22  ? 0.402174 0.369665 0.296939 -0.0102426  -0.0360176  0.0282296   34  LEU   B O    
299  C CB   . LEU   A 22  ? 0.400239 0.370952 0.276936 0.00346599  -0.037374   0.0140728   34  LEU   B CB   
300  C CG   . LEU   A 22  ? 0.469629 0.432834 0.336491 0.0121981   -0.0415298  0.00487928  34  LEU   B CG   
301  C CD1  . LEU   A 22  ? 0.470488 0.453605 0.350314 0.0193602   -0.0331372  0.00348213  34  LEU   B CD1  
302  C CD2  . LEU   A 22  ? 0.501097 0.453137 0.344141 0.0166589   -0.0445192  0.00031847  34  LEU   B CD2  
303  H H    . LEU   A 22  ? 0.457315 0.411204 0.342002 -0.00640195 -0.04671    0.0146023   34  LEU   B H    
304  H HA   . LEU   A 22  ? 0.451486 0.407783 0.31271  -0.0022309  -0.0480219  0.0149826   34  LEU   B HA   
305  H HB2  . LEU   A 22  ? 0.417669 0.394072 0.307635 0.00087608  -0.0349159  0.0155594   34  LEU   B HB2  
306  H HB3  . LEU   A 22  ? 0.432216 0.40924  0.304923 0.00515196  -0.0322572  0.0170252   34  LEU   B HB3  
307  H HG   . LEU   A 22  ? 0.45877  0.412503 0.326062 0.0108635   -0.0469684  0.00298272  34  LEU   B HG   
308  H HD11 . LEU   A 22  ? 0.458561 0.449213 0.353701 0.0153774   -0.0327835  0.00529289  34  LEU   B HD11 
309  H HD12 . LEU   A 22  ? 0.479522 0.459413 0.353691 0.0277753   -0.0350766  -0.00234346 34  LEU   B HD12 
310  H HD13 . LEU   A 22  ? 0.472829 0.464562 0.351153 0.0196248   -0.0261622  0.00667494  34  LEU   B HD13 
311  H HD21 . LEU   A 22  ? 0.499214 0.441487 0.336935 0.0108466   -0.050793   0.00073886  34  LEU   B HD21 
312  H HD22 . LEU   A 22  ? 0.500985 0.461972 0.341024 0.0181341   -0.0390525  0.00315347  34  LEU   B HD22 
313  H HD23 . LEU   A 22  ? 0.509852 0.455077 0.345233 0.0240168   -0.0457943  -0.00598627 34  LEU   B HD23 
314  N N    . LYS   A 23  ? 0.426662 0.397216 0.299744 -0.00536694 -0.0397772  0.0309752   35  LYS   B N    
315  C CA   . LYS   A 23  ? 0.410246 0.383522 0.288561 -0.00582329 -0.0368925  0.0407297   35  LYS   B CA   
316  C C    . LYS   A 23  ? 0.387916 0.363941 0.255181 -0.00157781 -0.0308386  0.0486104   35  LYS   B C    
317  O O    . LYS   A 23  ? 0.453605 0.431597 0.303116 0.0026247   -0.0328827  0.0466193   35  LYS   B O    
318  C CB   . LYS   A 23  ? 0.419014 0.394852 0.298444 -0.00713282 -0.0461075  0.0414938   35  LYS   B CB   
319  C CG   . LYS   A 23  ? 0.415539 0.395571 0.303397 -0.00398672 -0.044334   0.0512756   35  LYS   B CG   
320  C CD   . LYS   A 23  ? 0.420917 0.413438 0.314311 -0.00318611 -0.053718   0.0535014   35  LYS   B CD   
321  C CE   . LYS   A 23  ? 0.449196 0.446434 0.350889 0.0045689   -0.051372   0.0634291   35  LYS   B CE   
322  N NZ   . LYS   A 23  ? 0.439291 0.456261 0.348754 0.00768526  -0.0619292  0.0665651   35  LYS   B NZ   
323  H H    . LYS   A 23  ? 0.433449 0.402885 0.294923 -0.00291603 -0.0428003  0.0279217   35  LYS   B H    
324  H HA   . LYS   A 23  ? 0.400698 0.371787 0.289395 -0.0080542  -0.0330882  0.04196     35  LYS   B HA   
325  H HB2  . LYS   A 23  ? 0.409286 0.382581 0.294247 -0.0106721  -0.0481916  0.0373862   35  LYS   B HB2  
326  H HB3  . LYS   A 23  ? 0.425442 0.402965 0.294354 -0.00615441 -0.0515679  0.0395071   35  LYS   B HB3  
327  H HG2  . LYS   A 23  ? 0.426048 0.404612 0.307175 -0.00047315 -0.0408219  0.05662     35  LYS   B HG2  
328  H HG3  . LYS   A 23  ? 0.410425 0.386207 0.307203 -0.00517824 -0.0397853  0.0514442   35  LYS   B HG3  
329  H HD2  . LYS   A 23  ? 0.418169 0.412435 0.319448 -0.00796981 -0.0554525  0.049406    35  LYS   B HD2  
330  H HD3  . LYS   A 23  ? 0.434854 0.430903 0.318158 -0.00285711 -0.0601269  0.0521376   35  LYS   B HD3  
331  H HE2  . LYS   A 23  ? 0.449453 0.440151 0.342091 0.00868185  -0.0478545  0.0685438   35  LYS   B HE2  
332  H HE3  . LYS   A 23  ? 0.433202 0.426284 0.344097 0.00431735  -0.0458972  0.0631853   35  LYS   B HE3  
333  H HZ1  . LYS   A 23  ? 0.453006 0.472825 0.351721 0.00820882  -0.0682551  0.0663989   35  LYS   B HZ1  
334  H HZ2  . LYS   A 23  ? 0.436031 0.460133 0.355388 0.00228686  -0.0643096  0.0624316   35  LYS   B HZ2  
335  H HZ3  . LYS   A 23  ? 0.447352 0.466924 0.36243  0.014653    -0.0599899  0.0728179   35  LYS   B HZ3  
336  N N    . ILE   A 24  ? 0.428576 0.40098  0.303159 -0.00269634 -0.0228083  0.0576623   36  ILE   B N    
337  C CA   . ILE   A 24  ? 0.470527 0.440124 0.33209  0.00147984  -0.0173677  0.069635    36  ILE   B CA   
338  C C    . ILE   A 24  ? 0.484834 0.446302 0.351167 0.00458045  -0.0192801  0.0783805   36  ILE   B C    
339  O O    . ILE   A 24  ? 0.481174 0.434001 0.361693 0.00155473  -0.0162401  0.0780362   36  ILE   B O    
340  C CB   . ILE   A 24  ? 0.464301 0.433168 0.326326 -0.00233594 -0.00307652 0.0750594   36  ILE   B CB   
341  C CG1  . ILE   A 24  ? 0.493443 0.475028 0.355769 -0.00248225 0.0002607   0.0657769   36  ILE   B CG1  
342  C CG2  . ILE   A 24  ? 0.53251  0.495702 0.373028 0.00284514  0.00312876  0.0891737   36  ILE   B CG2  
343  C CD1  . ILE   A 24  ? 0.486219 0.476077 0.359442 -0.00820707 0.0153315   0.0700267   36  ILE   B CD1  
344  H H    . ILE   A 24  ? 0.415407 0.384492 0.301262 -0.00611684 -0.0208199  0.056494    36  ILE   B H    
345  H HA   . ILE   A 24  ? 0.474629 0.448039 0.322304 0.00560316  -0.0219915  0.0689623   36  ILE   B HA   
346  H HB   . ILE   A 24  ? 0.475749 0.439263 0.351    -0.00764514 0.00048676  0.0761129   36  ILE   B HB   
347  H HG12 . ILE   A 24  ? 0.492609 0.476181 0.338219 0.00318991  -0.00212161 0.064623    36  ILE   B HG12 
348  H HG13 . ILE   A 24  ? 0.467243 0.450454 0.338971 -0.00384849 -0.00546033 0.0574274   36  ILE   B HG13 
349  H HG21 . ILE   A 24  ? 0.528941 0.491915 0.370914 -0.00119429 0.0139181   0.0937975   36  ILE   B HG21 
350  H HG22 . ILE   A 24  ? 0.527791 0.495968 0.3527   0.00831644  -0.00122797 0.0871723   36  ILE   B HG22 
351  H HG23 . ILE   A 24  ? 0.525699 0.479912 0.36557  0.00506913  0.00062931  0.0957376   36  ILE   B HG23 
352  H HD11 . ILE   A 24  ? 0.482059 0.469433 0.37186  -0.0150817  0.0161166   0.0697971   36  ILE   B HD11 
353  H HD12 . ILE   A 24  ? 0.487774 0.488741 0.362374 -0.00569635 0.0170346   0.0635134   36  ILE   B HD12 
354  H HD13 . ILE   A 24  ? 0.507887 0.494669 0.370149 -0.00753013 0.0226149   0.0795053   36  ILE   B HD13 
355  N N    . VAL   A 25  ? 0.513518 0.476853 0.364926 0.0127503   -0.0246453  0.0864085   37  VAL   B N    
356  C CA   . VAL   A 25  ? 0.511158 0.466925 0.36394  0.0204353   -0.025799   0.0974634   37  VAL   B CA   
357  C C    . VAL   A 25  ? 0.518581 0.454363 0.362073 0.0200321   -0.0127521  0.109859    37  VAL   B C    
358  O O    . VAL   A 25  ? 0.501724 0.436103 0.327133 0.020071    -0.00699744 0.116187    37  VAL   B O    
359  C CB   . VAL   A 25  ? 0.541393 0.510091 0.382676 0.0302528   -0.039178   0.101503    37  VAL   B CB   
360  C CG1  . VAL   A 25  ? 0.572018 0.533966 0.411817 0.0429861   -0.0407614  0.115463    37  VAL   B CG1  
361  C CG2  . VAL   A 25  ? 0.564592 0.552315 0.419819 0.0265411   -0.0515648  0.0897766   37  VAL   B CG2  
362  H H    . VAL   A 25  ? 0.514019 0.483026 0.352962 0.0147458   -0.0283465  0.0847062   37  VAL   B H    
363  H HA   . VAL   A 25  ? 0.501683 0.456655 0.368943 0.0193564   -0.0264557  0.0939537   37  VAL   B HA   
364  H HB   . VAL   A 25  ? 0.56088  0.529709 0.384368 0.0311392   -0.0391113  0.103011    37  VAL   B HB   
365  H HG11 . VAL   A 25  ? 0.560644 0.517526 0.415217 0.0430759   -0.0372906  0.114576    37  VAL   B HG11 
366  H HG12 . VAL   A 25  ? 0.589129 0.537455 0.413792 0.0455526   -0.0344462  0.124563    37  VAL   B HG12 
367  H HG13 . VAL   A 25  ? 0.572909 0.548734 0.411421 0.04897     -0.0516094  0.116191    37  VAL   B HG13 
368  H HG21 . VAL   A 25  ? 0.560097 0.558098 0.410437 0.0314139   -0.0612544  0.0919572   37  VAL   B HG21 
369  H HG22 . VAL   A 25  ? 0.544088 0.532366 0.396058 0.0202884   -0.0513975  0.0817289   37  VAL   B HG22 
370  H HG23 . VAL   A 25  ? 0.538539 0.527216 0.410361 0.0255105   -0.0499546  0.088215    37  VAL   B HG23 
371  N N    . LYS   A 26  ? 0.503864 0.421763 0.358522 0.0183505   -0.00673389 0.112864    38  LYS   B N    
372  C CA   . LYS   A 26  ? 0.575405 0.468322 0.422549 0.0145182   0.00581629  0.124694    38  LYS   B CA   
373  C C    . LYS   A 26  ? 0.599226 0.471361 0.432659 0.0279589   0.00516937  0.139885    38  LYS   B C    
374  O O    . LYS   A 26  ? 0.624612 0.473992 0.441779 0.0272858   0.0147011   0.154388    38  LYS   B O    
375  C CB   . LYS   A 26  ? 0.610015 0.489616 0.475876 0.00262342  0.0115696   0.11653     38  LYS   B CB   
376  C CG   . LYS   A 26  ? 0.60477  0.504418 0.48301  -0.009569   0.0129238   0.104434    38  LYS   B CG   
377  C CD   . LYS   A 26  ? 0.680734 0.5939   0.551171 -0.0139178  0.0207521   0.108761    38  LYS   B CD   
378  C CE   . LYS   A 26  ? 0.706876 0.608291 0.578467 -0.0246805  0.0348183   0.118656    38  LYS   B CE   
379  N NZ   . LYS   A 26  ? 0.815648 0.7375   0.680019 -0.0258598  0.0432957   0.121282    38  LYS   B NZ   
380  H H    . LYS   A 26  ? 0.506463 0.425907 0.372804 0.0190456   -0.0101142  0.107231    38  LYS   B H    
381  H HA   . LYS   A 26  ? 0.580485 0.477234 0.418623 0.0106522   0.0111761   0.128078    38  LYS   B HA   
382  H HB2  . LYS   A 26  ? 0.595216 0.473001 0.468202 0.00698558  0.00667894  0.111292    38  LYS   B HB2  
383  H HB3  . LYS   A 26  ? 0.625649 0.485389 0.487703 -0.00114032 0.0190051   0.124134    38  LYS   B HB3  
384  H HG2  . LYS   A 26  ? 0.594863 0.507712 0.477107 -0.00634511 0.00536749  0.0962452   38  LYS   B HG2  
385  H HG3  . LYS   A 26  ? 0.613252 0.5047   0.502338 -0.017711   0.0157744   0.100098    38  LYS   B HG3  
386  H HD2  . LYS   A 26  ? 0.671873 0.588798 0.526942 -0.00561739 0.0181257   0.113787    38  LYS   B HD2  
387  H HD3  . LYS   A 26  ? 0.646977 0.57578  0.526035 -0.0169535  0.0184943   0.0990225   38  LYS   B HD3  
388  H HE2  . LYS   A 26  ? 0.722508 0.621632 0.610343 -0.034303   0.0362102   0.112805    38  LYS   B HE2  
389  H HE3  . LYS   A 26  ? 0.751677 0.633979 0.611808 -0.0213658  0.0376381   0.129522    38  LYS   B HE3  
390  H HZ1  . LYS   A 26  ? 0.760383 0.69872  0.63544  -0.0275767  0.0407761   0.111231    38  LYS   B HZ1  
391  H HZ2  . LYS   A 26  ? 0.787862 0.710592 0.634371 -0.0168702  0.0410884   0.125703    38  LYS   B HZ2  
392  H HZ3  . LYS   A 26  ? 0.796392 0.713429 0.6627   -0.033571   0.0537069   0.128629    38  LYS   B HZ3  
393  N N    . ARG   A 27  ? 0.56671  0.443976 0.408688 0.0400654   -0.00430158 0.137296    39  ARG   B N    
394  C CA   . ARG   A 27  ? 0.59173  0.456618 0.421975 0.0582591   -0.00813835 0.151444    39  ARG   B CA   
395  C C    . ARG   A 27  ? 0.644583 0.543218 0.483725 0.0700579   -0.0236903  0.147261    39  ARG   B C    
396  O O    . ARG   A 27  ? 0.63324  0.549602 0.494452 0.067271    -0.0272444  0.134813    39  ARG   B O    
397  C CB   . ARG   A 27  ? 0.641334 0.474203 0.477227 0.063722    -0.00173017 0.153748    39  ARG   B CB   
398  C CG   . ARG   A 27  ? 0.703849 0.521462 0.525632 0.0864838   -0.00565835 0.170028    39  ARG   B CG   
399  C CD   . ARG   A 27  ? 0.716933 0.494886 0.539534 0.09531     0.00149352  0.172226    39  ARG   B CD   
400  N NE   . ARG   A 27  ? 0.651307 0.45136  0.497887 0.102077    -0.00282183 0.157611    39  ARG   B NE   
401  C CZ   . ARG   A 27  ? 0.65964  0.434996 0.511972 0.10484     0.00383212  0.14945     39  ARG   B CZ   
402  N NH1  . ARG   A 27  ? 0.621491 0.419998 0.493086 0.110128    0.00220576  0.13643     39  ARG   B NH1  
403  N NH2  . ARG   A 27  ? 0.690545 0.41577  0.527505 0.100465    0.0129638   0.153599    39  ARG   B NH2  
404  H H    . ARG   A 27  ? 0.549354 0.438722 0.405104 0.0377122   -0.00801722 0.127073    39  ARG   B H    
405  H HA   . ARG   A 27  ? 0.633663 0.489359 0.445443 0.0599001   -0.00527368 0.16228     39  ARG   B HA   
406  H HB2  . ARG   A 27  ? 0.651078 0.462467 0.483238 0.0531541   0.00716715  0.15501     39  ARG   B HB2  
407  H HB3  . ARG   A 27  ? 0.619398 0.461841 0.470901 0.0636487   -0.00399398 0.143261    39  ARG   B HB3  
408  H HG2  . ARG   A 27  ? 0.681938 0.525164 0.511007 0.0965532   -0.0154556  0.168332    39  ARG   B HG2  
409  H HG3  . ARG   A 27  ? 0.717002 0.524261 0.52004  0.0868567   -0.00353583 0.181417    39  ARG   B HG3  
410  H HD2  . ARG   A 27  ? 0.74174  0.504092 0.551464 0.110031    0.00024975  0.184753    39  ARG   B HD2  
411  H HD3  . ARG   A 27  ? 0.718883 0.473257 0.538657 0.0820076   0.010029    0.170273    39  ARG   B HD3  
412  H HE   . ARG   A 27  ? 0.637313 0.467997 0.493886 0.104284    -0.00972124 0.153913    39  ARG   B HE   
413  H HH11 . ARG   A 27  ? 0.596343 0.421848 0.478558 0.102238    -0.00109247 0.129488    39  ARG   B HH11 
414  H HH12 . ARG   A 27  ? 0.641192 0.426941 0.513829 0.121789    0.0051411   0.135076    39  ARG   B HH12 
415  H HH21 . ARG   A 27  ? 0.723685 0.427528 0.54709  0.108604    0.0143035   0.165541    39  ARG   B HH21 
416  H HH22 . ARG   A 27  ? 0.690588 0.402669 0.530244 0.0890731   0.0172482   0.14449     39  ARG   B HH22 
417  N N    . VAL   A 28  ? 0.648354 0.555348 0.470101 0.0830478   -0.0330741  0.158517    40  VAL   B N    
418  C CA   . VAL   A 28  ? 0.671324 0.613883 0.503993 0.0929803   -0.0504854  0.155049    40  VAL   B CA   
419  C C    . VAL   A 28  ? 0.706392 0.65352  0.560531 0.109088    -0.0529642  0.157702    40  VAL   B C    
420  O O    . VAL   A 28  ? 0.691951 0.610635 0.535474 0.123342    -0.0473979  0.17042     40  VAL   B O    
421  C CB   . VAL   A 28  ? 0.696139 0.648337 0.501221 0.101566    -0.0626643  0.16438     40  VAL   B CB   
422  C CG1  . VAL   A 28  ? 0.786046 0.775015 0.603664 0.113151    -0.0836837  0.162837    40  VAL   B CG1  
423  C CG2  . VAL   A 28  ? 0.721342 0.678065 0.5098   0.0864349   -0.0610587  0.155782    40  VAL   B CG2  
424  H H    . VAL   A 28  ? 0.684553 0.575303 0.487045 0.0852427   -0.0289317  0.168813    40  VAL   B H    
425  H HA   . VAL   A 28  ? 0.643849 0.602978 0.488611 0.0826263   -0.0528348  0.143296    40  VAL   B HA   
426  H HB   . VAL   A 28  ? 0.747621 0.677867 0.534744 0.109796    -0.0578225  0.177376    40  VAL   B HB   
427  H HG11 . VAL   A 28  ? 0.728818 0.73728  0.567602 0.10452     -0.0869163  0.151173    40  VAL   B HG11 
428  H HG12 . VAL   A 28  ? 0.768457 0.755793 0.592578 0.127029    -0.085336   0.170833    40  VAL   B HG12 
429  H HG13 . VAL   A 28  ? 0.771979 0.766861 0.569823 0.115412    -0.0924364  0.165521    40  VAL   B HG13 
430  H HG21 . VAL   A 28  ? 0.733255 0.693163 0.500125 0.0925028   -0.0680622  0.161204    40  VAL   B HG21 
431  H HG22 . VAL   A 28  ? 0.713135 0.651461 0.496311 0.0789798   -0.047845   0.157166    40  VAL   B HG22 
432  H HG23 . VAL   A 28  ? 0.686089 0.66048  0.490097 0.078677    -0.0661406  0.14344     40  VAL   B HG23 
433  N N    . GLY   A 29  ? 0.639853 0.622678 0.522695 0.107359    -0.060889   0.146454    41  GLY   B N    
434  C CA   . GLY   A 29  ? 0.646556 0.648342 0.555793 0.122674    -0.0633555  0.146976    41  GLY   B CA   
435  C C    . GLY   A 29  ? 0.750758 0.787139 0.66665  0.139469    -0.0817386  0.155217    41  GLY   B C    
436  O O    . GLY   A 29  ? 0.6829   0.721332 0.576146 0.139874    -0.092891   0.160999    41  GLY   B O    
437  H H    . GLY   A 29  ? 0.631631 0.628066 0.517748 0.0954911   -0.064091   0.138067    41  GLY   B H    
438  H HA2  . GLY   A 29  ? 0.678646 0.655564 0.583687 0.13138     -0.0546593  0.151747    41  GLY   B HA2  
439  H HA3  . GLY   A 29  ? 0.637485 0.654664 0.565014 0.113886    -0.0614336  0.136936    41  GLY   B HA3  
440  N N    . ASN   A 30  ? 0.73437  0.801114 0.68155  0.153856    -0.0853436  0.155297    42  ASN   B N    
441  C CA   . ASN   A 30  ? 0.839677 0.944133 0.799458 0.173118    -0.103868   0.163977    42  ASN   B CA   
442  C C    . ASN   A 30  ? 0.836051 0.998163 0.838219 0.164056    -0.113122   0.15345     42  ASN   B C    
443  O O    . ASN   A 30  ? 0.800821 0.969425 0.825242 0.154208    -0.100248   0.144107    42  ASN   B O    
444  C CB   . ASN   A 30  ? 0.760889 0.854856 0.724724 0.20432     -0.10023    0.176706    42  ASN   B CB   
445  H H    . ASN   A 30  ? 0.742364 0.808232 0.704138 0.152178    -0.0759675  0.149669    42  ASN   B H    
446  H HA   . ASN   A 30  ? 0.817423 0.918766 0.756137 0.172387    -0.113729   0.168578    42  ASN   B HA   
449  N N    . GLY   A 31  ? 0.78429  0.987939 0.79695  0.165982    -0.135465   0.155005    43  GLY   B N    
450  C CA   . GLY   A 31  ? 0.833706 1.09494  0.89167  0.155747    -0.144643   0.146359    43  GLY   B CA   
451  C C    . GLY   A 31  ? 0.83094  1.10078  0.88484  0.124777    -0.15418    0.133126    43  GLY   B C    
452  O O    . GLY   A 31  ? 0.820429 1.0502   0.838006 0.112201    -0.149262   0.128951    43  GLY   B O    
453  H H    . GLY   A 31  ? 0.834345 1.03075  0.825543 0.172936    -0.145382   0.161597    43  GLY   B H    
454  H HA2  . GLY   A 31  ? 0.831143 1.12288  0.903449 0.169587    -0.15828    0.152177    43  GLY   B HA2  
455  H HA3  . GLY   A 31  ? 0.804268 1.06979  0.882705 0.156118    -0.131048   0.143567    43  GLY   B HA3  
456  N N    . GLU   A 32  ? 0.806517 1.13022  0.900363 0.113771    -0.167495   0.127       44  GLU   B N    
457  C CA   . GLU   A 32  ? 0.731724 1.06919  0.829726 0.0839253   -0.17937    0.113844    44  GLU   B CA   
458  C C    . GLU   A 32  ? 0.646003 0.983255 0.767142 0.0630966   -0.160551   0.105336    44  GLU   B C    
459  O O    . GLU   A 32  ? 0.652455 0.971793 0.760142 0.0393037   -0.161243   0.0950157   44  GLU   B O    
460  C CB   . GLU   A 32  ? 0.674816 1.06858  0.800218 0.0815092   -0.208057   0.112567    44  GLU   B CB   
461  H H    . GLU   A 32  ? 0.792992 1.14664  0.914297 0.12597     -0.169046   0.131548    44  GLU   B H    
462  H HA   . GLU   A 32  ? 0.728102 1.03409  0.791384 0.0784154   -0.181345   0.111031    44  GLU   B HA   
465  N N    . GLU   A 33  ? 0.612997 0.965918 0.764212 0.0738913   -0.142799   0.109898    45  GLU   B N    
466  C CA   . GLU   A 33  ? 0.605786 0.960103 0.775762 0.0561572   -0.124464   0.103593    45  GLU   B CA   
467  C C    . GLU   A 33  ? 0.527737 0.821493 0.657737 0.0508137   -0.107513   0.0993225   45  GLU   B C    
468  O O    . GLU   A 33  ? 0.492481 0.752114 0.597356 0.0679327   -0.0993911  0.104057    45  GLU   B O    
469  C CB   . GLU   A 33  ? 0.596571 0.989222 0.808437 0.0714071   -0.110075   0.109372    45  GLU   B CB   
470  H H    . GLU   A 33  ? 0.631831 0.993398 0.789745 0.0938766   -0.141882   0.117315    45  GLU   B H    
471  H HA   . GLU   A 33  ? 0.584569 0.95538  0.765672 0.0366557   -0.133242   0.09795     45  GLU   B HA   
474  N N    . THR   A 34  ? 0.574321 0.85515  0.69965  0.0260543   -0.103121   0.0905153   46  THR   B N    
475  C CA   . THR   A 34  ? 0.505643 0.74398  0.608052 0.0204699   -0.0847097  0.0863156   46  THR   B CA   
476  C C    . THR   A 34  ? 0.606358 0.863127 0.735167 0.0127367   -0.0686237  0.0856256   46  THR   B C    
477  O O    . THR   A 34  ? 0.636796 0.936172 0.800193 0.00243997  -0.0724778  0.0865993   46  THR   B O    
478  C CB   . THR   A 34  ? 0.477046 0.684732 0.551115 0.00090099  -0.0912916  0.0776763   46  THR   B CB   
479  O OG1  . THR   A 34  ? 0.423803 0.658239 0.518475 -0.0193109  -0.102405   0.0731995   46  THR   B OG1  
480  C CG2  . THR   A 34  ? 0.454214 0.642552 0.497747 0.00774154  -0.104003   0.0778362   46  THR   B CG2  
481  H H    . THR   A 34  ? 0.54626  0.845189 0.682782 0.0120037   -0.113201   0.0869284   46  THR   B H    
482  H HA   . THR   A 34  ? 0.533184 0.750795 0.620981 0.0345599   -0.0780462  0.0894884   46  THR   B HA   
483  H HB   . THR   A 34  ? 0.459002 0.64265  0.521155 -0.00276546 -0.0799817  0.0749808   46  THR   B HB   
485  H HG21 . THR   A 34  ? 0.465974 0.636518 0.492587 -0.00347419 -0.107018   0.0715427   46  THR   B HG21 
486  H HG22 . THR   A 34  ? 0.473187 0.684706 0.525864 0.0114205   -0.116605   0.0802682   46  THR   B HG22 
487  H HG23 . THR   A 34  ? 0.466545 0.636693 0.49729  0.0199475   -0.0963599  0.0819224   46  THR   B HG23 
488  N N    . PRO   A 35  ? 0.57266  0.799034 0.685616 0.0153969   -0.0499418  0.0838056   47  PRO   B N    
489  C CA   . PRO   A 35  ? 0.567618 0.810631 0.700113 0.00997343  -0.0332174  0.0841657   47  PRO   B CA   
490  C C    . PRO   A 35  ? 0.702047 0.951766 0.841294 -0.0181388  -0.0368146  0.0808564   47  PRO   B C    
491  O O    . PRO   A 35  ? 0.646068 0.866273 0.760518 -0.0316086  -0.0472244  0.0752508   47  PRO   B O    
492  C CB   . PRO   A 35  ? 0.512992 0.712038 0.615023 0.0178326   -0.0169762  0.0808783   47  PRO   B CB   
493  C CG   . PRO   A 35  ? 0.504328 0.670231 0.579794 0.0296092   -0.0239603  0.0802931   47  PRO   B CG   
494  C CD   . PRO   A 35  ? 0.556011 0.732989 0.631987 0.0215423   -0.0442143  0.0810114   47  PRO   B CD   
495  H HA   . PRO   A 35  ? 0.5804   0.854712 0.737902 0.0203061   -0.0299756  0.0885693   47  PRO   B HA   
496  H HB2  . PRO   A 35  ? 0.522528 0.705474 0.612427 0.00441394  -0.0142476  0.0773362   47  PRO   B HB2  
497  H HB3  . PRO   A 35  ? 0.527157 0.735768 0.638674 0.0286308   -0.00489653 0.0827785   47  PRO   B HB3  
498  H HG2  . PRO   A 35  ? 0.518528 0.654387 0.572313 0.0254718   -0.0198846  0.0761209   47  PRO   B HG2  
499  H HG3  . PRO   A 35  ? 0.526033 0.693857 0.60525  0.046164    -0.019965   0.0836697   47  PRO   B HG3  
500  H HD2  . PRO   A 35  ? 0.543786 0.702767 0.604096 0.00899084  -0.0478455  0.0763918   47  PRO   B HD2  
501  H HD3  . PRO   A 35  ? 0.552031 0.722675 0.620299 0.0333535   -0.0490034  0.0842869   47  PRO   B HD3  
502  N N    . MET   A 36  ? 0.649019 0.934181 0.819923 -0.0263447  -0.0259244  0.0846087   48  MET   B N    
503  C CA   . MET   A 36  ? 0.619105 0.900434 0.791507 -0.0544419  -0.0253016  0.0829452   48  MET   B CA   
504  C C    . MET   A 36  ? 0.531932 0.801625 0.697164 -0.0577984  -0.00154516 0.0856848   48  MET   B C    
505  O O    . MET   A 36  ? 0.59239  0.862159 0.754394 -0.038282   0.0146919   0.087574    48  MET   B O    
506  C CB   . MET   A 36  ? 0.627581 0.959623 0.842438 -0.0709761  -0.0375067  0.0852292   48  MET   B CB   
507  C CG   . MET   A 36  ? 0.661996 0.988254 0.867095 -0.0749388  -0.064031   0.0795126   48  MET   B CG   
508  S SD   . MET   A 36  ? 0.555824 0.947805 0.814833 -0.0941758  -0.0812734  0.0808972   48  MET   B SD   
509  C CE   . MET   A 36  ? 0.580667 1.02418  0.875805 -0.0613999  -0.0701575  0.0903691   48  MET   B CE   
510  H H    . MET   A 36  ? 0.65118  0.961576 0.841992 -0.0146126  -0.0184456  0.088535    48  MET   B H    
511  H HA   . MET   A 36  ? 0.609905 0.859505 0.756855 -0.0611594  -0.0338448  0.0781375   48  MET   B HA   
512  H HB2  . MET   A 36  ? 0.628325 0.996739 0.870812 -0.0598702  -0.0325752  0.0898255   48  MET   B HB2  
513  H HB3  . MET   A 36  ? 0.637539 0.969752 0.857998 -0.0899945  -0.0327404  0.0858366   48  MET   B HB3  
514  H HG2  . MET   A 36  ? 0.635859 0.927982 0.815214 -0.0858701  -0.0682572  0.0744812   48  MET   B HG2  
515  H HG3  . MET   A 36  ? 0.627303 0.949677 0.823163 -0.0564356  -0.0679418  0.0800694   48  MET   B HG3  
516  H HE1  . MET   A 36  ? 0.573918 1.05168  0.891763 -0.0589334  -0.0852454  0.0911514   48  MET   B HE1  
517  H HE2  . MET   A 36  ? 0.570557 0.987437 0.840981 -0.0423966  -0.0654424  0.0906067   48  MET   B HE2  
518  H HE3  . MET   A 36  ? 0.571354 1.03475  0.887464 -0.0644374  -0.0539795  0.0944569   48  MET   B HE3  
519  N N    . ILE   A 37  ? 0.549906 0.805657 0.708719 -0.0825508  6.727e-05   0.0857994   49  ILE   B N    
520  C CA   . ILE   A 37  ? 0.568783 0.802719 0.708647 -0.0857333  0.0210252   0.088984    49  ILE   B CA   
521  C C    . ILE   A 37  ? 0.577436 0.85607  0.748983 -0.0775987  0.0423987   0.0965192   49  ILE   B C    
522  O O    . ILE   A 37  ? 0.621224 0.950848 0.83731  -0.0869757  0.0411823   0.101355    49  ILE   B O    
523  C CB   . ILE   A 37  ? 0.66015  0.871621 0.789419 -0.114338   0.0175978   0.0899541   49  ILE   B CB   
524  C CG1  . ILE   A 37  ? 0.617484 0.788399 0.717398 -0.117771   -0.00419785 0.0809293   49  ILE   B CG1  
525  C CG2  . ILE   A 37  ? 0.605463 0.795383 0.713285 -0.118404   0.0401265   0.0961388   49  ILE   B CG2  
526  C CD1  . ILE   A 37  ? 0.648645 0.778547 0.723257 -0.138484   -0.007032   0.0801243   49  ILE   B CD1  
527  H H    . ILE   A 37  ? 0.555576 0.81391  0.720126 -0.0971545  -0.0121189  0.0840492   49  ILE   B H    
528  H HA   . ILE   A 37  ? 0.579216 0.782653 0.69102  -0.0738418  0.0230571   0.085489    49  ILE   B HA   
529  H HB   . ILE   A 37  ? 0.625326 0.867571 0.784261 -0.127817   0.014581    0.0928751   49  ILE   B HB   
530  H HG12 . ILE   A 37  ? 0.620313 0.772156 0.699967 -0.102009   -0.003993   0.0776192   49  ILE   B HG12 
531  H HG13 . ILE   A 37  ? 0.621946 0.812211 0.738759 -0.12039    -0.0173496  0.0785627   49  ILE   B HG13 
532  H HG21 . ILE   A 37  ? 0.640141 0.808996 0.736623 -0.135145   0.0372758   0.0973531   49  ILE   B HG21 
533  H HG22 . ILE   A 37  ? 0.62452  0.789906 0.706138 -0.103677   0.0436744   0.0930873   49  ILE   B HG22 
534  H HG23 . ILE   A 37  ? 0.629071 0.850373 0.75965  -0.118621   0.0537302   0.102028    49  ILE   B HG23 
535  H HD11 . ILE   A 37  ? 0.656962 0.802479 0.750811 -0.156186   -0.00622235 0.0838631   49  ILE   B HD11 
536  H HD12 . ILE   A 37  ? 0.645389 0.754604 0.704668 -0.138201   -0.0207603  0.0736432   49  ILE   B HD12 
537  H HD13 . ILE   A 37  ? 0.652871 0.760273 0.70619  -0.134026   0.0038728   0.0823708   49  ILE   B HD13 
538  N N    . GLY   A 38  ? 0.505567 0.766114 0.654074 -0.0601502  0.061446    0.0966474   50  GLY   B N    
539  C CA   . GLY   A 38  ? 0.515642 0.813234 0.686615 -0.0459878  0.0844661   0.10202     50  GLY   B CA   
540  C C    . GLY   A 38  ? 0.540615 0.845007 0.714206 -0.0135297  0.0855849   0.0981065   50  GLY   B C    
541  O O    . GLY   A 38  ? 0.583625 0.901157 0.75975  0.00466996  0.10697     0.0995259   50  GLY   B O    
542  H H    . GLY   A 38  ? 0.527137 0.750499 0.643641 -0.0563703  0.0599281   0.0925724   50  GLY   B H    
543  H HA2  . GLY   A 38  ? 0.536669 0.815549 0.685904 -0.0471401  0.0989663   0.103407    50  GLY   B HA2  
544  H HA3  . GLY   A 38  ? 0.521876 0.85935  0.728012 -0.0566298  0.0863399   0.107344    50  GLY   B HA3  
545  N N    . ASP   A 39  ? 0.499748 0.795353 0.672234 -0.00524314 0.0641685   0.093887    51  ASP   B N    
546  C CA   . ASP   A 39  ? 0.482756 0.781425 0.657649 0.0249496   0.0647964   0.0922392   51  ASP   B CA   
547  C C    . ASP   A 39  ? 0.573972 0.822669 0.705111 0.041211    0.0773512   0.0856745   51  ASP   B C    
548  O O    . ASP   A 39  ? 0.644435 0.849439 0.739279 0.0300723   0.0741755   0.0807196   51  ASP   B O    
549  C CB   . ASP   A 39  ? 0.516352 0.808425 0.691118 0.0286855   0.0401111   0.0908097   51  ASP   B CB   
550  C CG   . ASP   A 39  ? 0.494225 0.838962 0.712075 0.0205916   0.023906    0.0957599   51  ASP   B CG   
551  O OD1  . ASP   A 39  ? 0.504067 0.899037 0.761613 0.0132309   0.0324398   0.100825    51  ASP   B OD1  
552  O OD2  . ASP   A 39  ? 0.526576 0.865189 0.739387 0.0216589   0.00276196  0.0947169   51  ASP   B OD2  
553  H H    . ASP   A 39  ? 0.495131 0.780787 0.663429 -0.0180201  0.0497133   0.092365    51  ASP   B H    
554  H HA   . ASP   A 39  ? 0.510476 0.847889 0.714904 0.0334246   0.0733296   0.0964414   51  ASP   B HA   
555  H HB2  . ASP   A 39  ? 0.498935 0.759196 0.649268 0.0176459   0.0320525   0.0871097   51  ASP   B HB2  
556  H HB3  . ASP   A 39  ? 0.508223 0.789554 0.675352 0.0484728   0.0416266   0.0899573   51  ASP   B HB3  
557  N N    . LYS   A 40  ? 0.535737 0.790443 0.670057 0.068451    0.0905721   0.0848002   52  LYS   B N    
558  C CA   . LYS   A 40  ? 0.557568 0.761938 0.650396 0.0852425   0.0983118   0.0764617   52  LYS   B CA   
559  C C    . LYS   A 40  ? 0.586644 0.760244 0.666325 0.0925855   0.0794026   0.0737465   52  LYS   B C    
560  O O    . LYS   A 40  ? 0.642343 0.839259 0.746385 0.105257    0.0711332   0.078918    52  LYS   B O    
561  C CB   . LYS   A 40  ? 0.646443 0.868517 0.747208 0.111376    0.121262    0.0760266   52  LYS   B CB   
562  C CG   . LYS   A 40  ? 0.700288 0.869346 0.75634  0.129423    0.130698    0.0653547   52  LYS   B CG   
563  C CD   . LYS   A 40  ? 0.758047 0.945165 0.818665 0.155414    0.156388    0.0638108   52  LYS   B CD   
564  C CE   . LYS   A 40  ? 0.815981 0.947352 0.835238 0.178843    0.160728    0.0516425   52  LYS   B CE   
565  N NZ   . LYS   A 40  ? 0.885129 1.03283  0.914792 0.212638    0.180333    0.0500835   52  LYS   B NZ   
566  H H    . LYS   A 40  ? 0.548266 0.83983  0.71215  0.0769999   0.094344    0.0890922   52  LYS   B H    
567  H HA   . LYS   A 40  ? 0.57857  0.758184 0.646679 0.0735266   0.10072     0.0731639   52  LYS   B HA   
568  H HB2  . LYS   A 40  ? 0.638681 0.885274 0.75067  0.104128    0.133735    0.0794124   52  LYS   B HB2  
569  H HB3  . LYS   A 40  ? 0.633265 0.880984 0.759729 0.124533    0.118218    0.0797234   52  LYS   B HB3  
570  H HG2  . LYS   A 40  ? 0.701858 0.848531 0.750228 0.137428    0.120084    0.062927    52  LYS   B HG2  
571  H HG3  . LYS   A 40  ? 0.703266 0.846151 0.732732 0.116525    0.130454    0.061361    52  LYS   B HG3  
572  H HD2  . LYS   A 40  ? 0.762641 0.959284 0.818299 0.147125    0.169096    0.0647311   52  LYS   B HD2  
573  H HD3  . LYS   A 40  ? 0.75054  0.976441 0.845778 0.165561    0.157827    0.0698025   52  LYS   B HD3  
574  H HE2  . LYS   A 40  ? 0.811997 0.91983  0.825261 0.178514    0.145797    0.0503282   52  LYS   B HE2  
575  H HE3  . LYS   A 40  ? 0.831916 0.935029 0.819506 0.171739    0.164991    0.0452668   52  LYS   B HE3  
576  H HZ1  . LYS   A 40  ? 0.863318 1.03692  0.922058 0.221259    0.175319    0.0560932   52  LYS   B HZ1  
577  H HZ2  . LYS   A 40  ? 0.879888 1.05117  0.915252 0.213276    0.195914    0.0515383   52  LYS   B HZ2  
578  H HZ3  . LYS   A 40  ? 0.898386 1.00652  0.899228 0.224998    0.18209     0.0416256   52  LYS   B HZ3  
579  N N    . VAL   A 41  ? 0.556016 0.67925  0.597722 0.0847229   0.0728437   0.0665651   53  VAL   B N    
580  C CA   . VAL   A 41  ? 0.603614 0.69967  0.633892 0.0855143   0.0559617   0.0656432   53  VAL   B CA   
581  C C    . VAL   A 41  ? 0.587472 0.633536 0.584558 0.0981956   0.0605103   0.0574303   53  VAL   B C    
582  O O    . VAL   A 41  ? 0.588161 0.610546 0.560588 0.0970227   0.0700269   0.0493856   53  VAL   B O    
583  C CB   . VAL   A 41  ? 0.572515 0.661133 0.59531  0.0605494   0.0414256   0.0651708   53  VAL   B CB   
584  C CG1  . VAL   A 41  ? 0.592359 0.653098 0.600547 0.060679    0.0276046   0.064257    53  VAL   B CG1  
585  C CG2  . VAL   A 41  ? 0.567896 0.700698 0.621963 0.047034    0.0351746   0.0717869   53  VAL   B CG2  
586  H H    . VAL   A 41  ? 0.5821   0.688887 0.604996 0.0788132   0.0791718   0.0626108   53  VAL   B H    
587  H HA   . VAL   A 41  ? 0.580106 0.696219 0.629605 0.094241    0.0511984   0.0709238   53  VAL   B HA   
588  H HB   . VAL   A 41  ? 0.584843 0.656299 0.590018 0.0530878   0.0459612   0.0607562   53  VAL   B HB   
589  H HG11 . VAL   A 41  ? 0.589656 0.656469 0.60662  0.0732477   0.0260574   0.0681738   53  VAL   B HG11 
590  H HG12 . VAL   A 41  ? 0.593244 0.624125 0.580358 0.0607429   0.0298995   0.0587906   53  VAL   B HG12 
591  H HG13 . VAL   A 41  ? 0.569777 0.636099 0.580234 0.0482938   0.0181505   0.0653888   53  VAL   B HG13 
592  H HG21 . VAL   A 41  ? 0.554812 0.678614 0.601578 0.0334327   0.0252489   0.0706619   53  VAL   B HG21 
593  H HG22 . VAL   A 41  ? 0.567385 0.715345 0.629155 0.0431586   0.0452605   0.07281     53  VAL   B HG22 
594  H HG23 . VAL   A 41  ? 0.562443 0.717004 0.635647 0.0558015   0.0308273   0.0760552   53  VAL   B HG23 
595  N N    . TYR   A 42  ? 0.568295 0.597971 0.564221 0.111941    0.0540822   0.0598888   54  TYR   B N    
596  C CA   . TYR   A 42  ? 0.558161 0.537621 0.52532  0.122951    0.0573878   0.0528206   54  TYR   B CA   
597  C C    . TYR   A 42  ? 0.606896 0.558917 0.561518 0.109426    0.0428612   0.0540415   54  TYR   B C    
598  O O    . TYR   A 42  ? 0.560807 0.526665 0.528891 0.111476    0.0335457   0.0636605   54  TYR   B O    
599  C CB   . TYR   A 42  ? 0.683816 0.663621 0.659442 0.152467    0.0651692   0.0564183   54  TYR   B CB   
600  C CG   . TYR   A 42  ? 0.647547 0.664328 0.642659 0.169956    0.0816826   0.0567165   54  TYR   B CG   
601  C CD1  . TYR   A 42  ? 0.642963 0.720619 0.677485 0.168339    0.0812502   0.0658964   54  TYR   B CD1  
602  C CD2  . TYR   A 42  ? 0.751028 0.742311 0.724281 0.186458    0.0983252   0.0467849   54  TYR   B CD2  
603  C CE1  . TYR   A 42  ? 0.701767 0.819153 0.759024 0.183038    0.0983948   0.0671211   54  TYR   B CE1  
604  C CE2  . TYR   A 42  ? 0.772368 0.799235 0.762974 0.204625    0.116472    0.0473762   54  TYR   B CE2  
605  C CZ   . TYR   A 42  ? 0.739374 0.832122 0.774259 0.201857    0.117398    0.0582618   54  TYR   B CZ   
606  O OH   . TYR   A 42  ? 0.729658 0.863512 0.78636  0.218088    0.137173    0.0597051   54  TYR   B OH   
607  H H    . TYR   A 42  ? 0.556878 0.606163 0.56964  0.113856    0.0469068   0.0664709   54  TYR   B H    
608  H HA   . TYR   A 42  ? 0.60238  0.565729 0.552378 0.119967    0.0640649   0.0449817   54  TYR   B HA   
609  H HB2  . TYR   A 42  ? 0.641811 0.633794 0.6308   0.155759    0.056775    0.0644984   54  TYR   B HB2  
610  H HB3  . TYR   A 42  ? 0.674108 0.61489  0.627907 0.158578    0.0673648   0.0508819   54  TYR   B HB3  
611  H HD1  . TYR   A 42  ? 0.629153 0.722815 0.676191 0.156919    0.0691644   0.0712835   54  TYR   B HD1  
612  H HD2  . TYR   A 42  ? 0.756015 0.704949 0.702366 0.186638    0.0974625   0.0393867   54  TYR   B HD2  
613  H HE1  . TYR   A 42  ? 0.673474 0.834936 0.761086 0.179922    0.0973688   0.0735621   54  TYR   B HE1  
614  H HE2  . TYR   A 42  ? 0.795654 0.803005 0.767869 0.217192    0.128437    0.0398567   54  TYR   B HE2  
616  N N    . VAL   A 43  ? 0.600928 0.515503 0.52973  0.0975516   0.0414731   0.0445169   55  VAL   B N    
617  C CA   . VAL   A 43  ? 0.566703 0.459036 0.486759 0.0838794   0.0304283   0.0456165   55  VAL   B CA   
618  C C    . VAL   A 43  ? 0.615916 0.458707 0.511336 0.0838185   0.0324701   0.0364076   55  VAL   B C    
619  O O    . VAL   A 43  ? 0.621924 0.446014 0.501291 0.0903778   0.040076    0.0257562   55  VAL   B O    
620  C CB   . VAL   A 43  ? 0.560346 0.467101 0.481711 0.0621842   0.0219689   0.0438775   55  VAL   B CB   
621  C CG1  . VAL   A 43  ? 0.548724 0.497806 0.490856 0.0586479   0.0195395   0.0502534   55  VAL   B CG1  
622  C CG2  . VAL   A 43  ? 0.539961 0.427683 0.441745 0.053316    0.0238714   0.0317037   55  VAL   B CG2  
623  H H    . VAL   A 43  ? 0.607901 0.512497 0.524873 0.0980234   0.0475566   0.037309    55  VAL   B H    
624  H HA   . VAL   A 43  ? 0.578143 0.476874 0.50689  0.089227    0.0269327   0.0537415   55  VAL   B HA   
625  H HB   . VAL   A 43  ? 0.549682 0.447774 0.469294 0.0559647   0.0159412   0.0463843   55  VAL   B HB   
626  H HG11 . VAL   A 43  ? 0.54728  0.507096 0.492547 0.0624661   0.026591    0.0485502   55  VAL   B HG11 
627  H HG12 . VAL   A 43  ? 0.542498 0.504516 0.496216 0.06502     0.0167094   0.0571742   55  VAL   B HG12 
628  H HG13 . VAL   A 43  ? 0.530095 0.482331 0.470385 0.0461301   0.0136263   0.0491088   55  VAL   B HG13 
629  H HG21 . VAL   A 43  ? 0.530578 0.431657 0.434704 0.0433921   0.0199151   0.0316891   55  VAL   B HG21 
630  H HG22 . VAL   A 43  ? 0.559278 0.423047 0.450544 0.0492983   0.0209152   0.027403    55  VAL   B HG22 
631  H HG23 . VAL   A 43  ? 0.561635 0.447691 0.458358 0.0619899   0.0317427   0.0283734   55  VAL   B HG23 
632  N N    . HIS   A 44  ? 0.559064 0.380167 0.450271 0.0751422   0.0258354   0.0402787   56  HIS   B N    
633  C CA   . HIS   A 44  ? 0.625278 0.408435 0.498869 0.0618059   0.0232888   0.0305337   56  HIS   B CA   
634  C C    . HIS   A 44  ? 0.599217 0.398983 0.47949  0.0405467   0.0144372   0.0306036   56  HIS   B C    
635  O O    . HIS   A 44  ? 0.583008 0.406836 0.475976 0.0376998   0.0108618   0.0407049   56  HIS   B O    
636  C CB   . HIS   A 44  ? 0.71695  0.457686 0.580452 0.0666386   0.0251996   0.0344064   56  HIS   B CB   
637  C CG   . HIS   A 44  ? 0.722172 0.428656 0.5694   0.0853394   0.0333387   0.0272774   56  HIS   B CG   
638  N ND1  . HIS   A 44  ? 0.795261 0.478266 0.623027 0.0837232   0.0355266   0.0100022   56  HIS   B ND1  
639  C CD2  . HIS   A 44  ? 0.772284 0.46372  0.617699 0.108601    0.039571    0.0347846   56  HIS   B CD2  
640  C CE1  . HIS   A 44  ? 0.854387 0.506291 0.667441 0.105409    0.0442127   0.00602855  56  HIS   B CE1  
641  N NE2  . HIS   A 44  ? 0.822027 0.478071 0.646829 0.121412    0.0469261   0.0213524   56  HIS   B NE2  
642  H H    . HIS   A 44  ? 0.576193 0.407418 0.475919 0.0769842   0.0228682   0.0492889   56  HIS   B H    
643  H HA   . HIS   A 44  ? 0.636864 0.410868 0.499876 0.0635403   0.026144    0.0207921   56  HIS   B HA   
644  H HB2  . HIS   A 44  ? 0.689938 0.440389 0.561531 0.071699    0.0245282   0.0457806   56  HIS   B HB2  
645  H HB3  . HIS   A 44  ? 0.70012  0.424914 0.559002 0.0518651   0.0214681   0.0309163   56  HIS   B HB3  
647  H HD2  . HIS   A 44  ? 0.766011 0.46681  0.620143 0.115726    0.0386024   0.0465078   56  HIS   B HD2  
648  H HE1  . HIS   A 44  ? 0.867739 0.497272 0.663306 0.109717    0.0473987   -0.00576049 56  HIS   B HE1  
650  N N    . TYR   A 45  ? 0.620914 0.40568  0.491316 0.0268721   0.0101775   0.0188247   57  TYR   B N    
651  C CA   . TYR   A 45  ? 0.57828  0.381979 0.457284 0.00993775  0.00208705  0.0184759   57  TYR   B CA   
652  C C    . TYR   A 45  ? 0.586851 0.366868 0.459781 -0.00502038 -0.0033175  0.00833253  57  TYR   B C    
653  O O    . TYR   A 45  ? 0.652862 0.403285 0.510086 -0.00416515 -0.00330591 -0.00280009 57  TYR   B O    
654  C CB   . TYR   A 45  ? 0.48408  0.316207 0.364692 0.00885626  -0.00092481 0.0154538   57  TYR   B CB   
655  C CG   . TYR   A 45  ? 0.536195 0.354783 0.398561 0.0091066   -0.00165798 0.002461    57  TYR   B CG   
656  C CD1  . TYR   A 45  ? 0.55859  0.371054 0.408815 0.0226823   0.00713848  -0.00050607 57  TYR   B CD1  
657  C CD2  . TYR   A 45  ? 0.551727 0.365571 0.407902 -0.00314292 -0.0113743  -0.00701468 57  TYR   B CD2  
658  C CE1  . TYR   A 45  ? 0.591137 0.389783 0.418527 0.0236669   0.00698645  -0.0122405  57  TYR   B CE1  
659  C CE2  . TYR   A 45  ? 0.611291 0.411425 0.445973 -0.00198702 -0.0142452  -0.0189407  57  TYR   B CE2  
660  C CZ   . TYR   A 45  ? 0.570547 0.360775 0.387856 0.0113943   -0.00467344 -0.0216557  57  TYR   B CZ   
661  O OH   . TYR   A 45  ? 0.640004 0.41571  0.43033  0.0127404   -0.00767132 -0.0335212  57  TYR   B OH   
662  H H    . TYR   A 45  ? 0.635617 0.399127 0.493834 0.0289905   0.0117913   0.0106563   57  TYR   B H    
663  H HA   . TYR   A 45  ? 0.555745 0.369    0.443707 0.00856687  0.00182845  0.0274144   57  TYR   B HA   
664  H HB2  . TYR   A 45  ? 0.489321 0.33388  0.376566 0.00032596  -0.00605031 0.0167617   57  TYR   B HB2  
665  H HB3  . TYR   A 45  ? 0.497081 0.34377  0.383023 0.0167933   0.00269363  0.0212141   57  TYR   B HB3  
666  H HD1  . TYR   A 45  ? 0.558626 0.378406 0.4158   0.0320731   0.0134385   0.00569632  57  TYR   B HD1  
667  H HD2  . TYR   A 45  ? 0.545841 0.36665  0.412364 -0.0117246  -0.0163005  -0.0052818  57  TYR   B HD2  
668  H HE1  . TYR   A 45  ? 0.597014 0.392138 0.414946 0.0337878   0.0148634   -0.0139858  57  TYR   B HE1  
669  H HE2  . TYR   A 45  ? 0.589098 0.388349 0.420629 -0.0096536  -0.0226926  -0.0250841  57  TYR   B HE2  
671  N N    . LYS   A 46  ? 0.562136 0.360289 0.448313 -0.0188394  -0.008854   0.0108315   58  LYS   B N    
672  C CA   . LYS   A 46  ? 0.61079  0.403552 0.501468 -0.0358624  -0.0159813  0.00232447  58  LYS   B CA   
673  C C    . LYS   A 46  ? 0.633429 0.461079 0.53417  -0.0396723  -0.0227724  0.00123057  58  LYS   B C    
674  O O    . LYS   A 46  ? 0.586345 0.435624 0.497809 -0.0383531  -0.020188   0.0110933   58  LYS   B O    
675  C CB   . LYS   A 46  ? 0.59634  0.380097 0.499225 -0.048914   -0.0128955  0.00983841  58  LYS   B CB   
676  H H    . LYS   A 46  ? 0.553225 0.370351 0.447211 -0.0171379  -0.00816661 0.0182049   58  LYS   B H    
677  H HA   . LYS   A 46  ? 0.626728 0.401874 0.506213 -0.0364852  -0.0188268  -0.00762749 58  LYS   B HA   
680  N N    . GLY   A 47  ? 0.581196 0.410833 0.475043 -0.0427897  -0.0318638  -0.0108162  59  GLY   B N    
681  C CA   . GLY   A 47  ? 0.621839 0.479839 0.52308  -0.0442719  -0.0394516  -0.0119491  59  GLY   B CA   
682  C C    . GLY   A 47  ? 0.661216 0.52549  0.570603 -0.0560883  -0.051418   -0.0224052  59  GLY   B C    
683  O O    . GLY   A 47  ? 0.768727 0.612273 0.671903 -0.0635561  -0.0560522  -0.0319845  59  GLY   B O    
684  H H    . GLY   A 47  ? 0.627937 0.439354 0.510353 -0.0428797  -0.0337269  -0.0184721  59  GLY   B H    
685  H HA2  . GLY   A 47  ? 0.593706 0.466587 0.505871 -0.0441529  -0.0363296  -0.00434507 59  GLY   B HA2  
686  H HA3  . GLY   A 47  ? 0.608598 0.467585 0.498188 -0.0367759  -0.0400141  -0.0131595  59  GLY   B HA3  
687  N N    . LYS   A 48  ? 0.493789 0.387445 0.417763 -0.0571224  -0.0572574  -0.0211892  60  LYS   B N    
688  C CA   . LYS   A 48  ? 0.554545 0.463404 0.490582 -0.0656104  -0.0706832  -0.0308385  60  LYS   B CA   
689  C C    . LYS   A 48  ? 0.55968  0.495357 0.500465 -0.0565615  -0.0765394  -0.0289992  60  LYS   B C    
690  O O    . LYS   A 48  ? 0.527864 0.469241 0.46641  -0.0478589  -0.0686852  -0.0200671  60  LYS   B O    
691  C CB   . LYS   A 48  ? 0.546672 0.466134 0.511155 -0.0823935  -0.0690075  -0.0301092  60  LYS   B CB   
692  C CG   . LYS   A 48  ? 0.551475 0.48912  0.533367 -0.0822846  -0.0561208  -0.0168733  60  LYS   B CG   
693  C CD   . LYS   A 48  ? 0.588798 0.546762 0.601873 -0.0987496  -0.052257   -0.0140323  60  LYS   B CD   
694  C CE   . LYS   A 48  ? 0.719676 0.683647 0.737967 -0.0971735  -0.0358213  0.00072293  60  LYS   B CE   
695  N NZ   . LYS   A 48  ? 0.781239 0.759095 0.826701 -0.115584   -0.0284275  0.00535792  60  LYS   B NZ   
696  H H    . LYS   A 48  ? 0.520977 0.42575  0.447659 -0.0517664  -0.0533312  -0.0146432  60  LYS   B H    
697  H HA   . LYS   A 48  ? 0.564894 0.4593   0.486394 -0.0658119  -0.0773956  -0.0391581  60  LYS   B HA   
698  H HB2  . LYS   A 48  ? 0.557219 0.493365 0.533841 -0.0876869  -0.0788162  -0.0365134  60  LYS   B HB2  
699  H HB3  . LYS   A 48  ? 0.574272 0.47114  0.533074 -0.0888305  -0.0668696  -0.0323871  60  LYS   B HB3  
700  H HG2  . LYS   A 48  ? 0.556639 0.476829 0.527775 -0.0788521  -0.0477928  -0.0107617  60  LYS   B HG2  
701  H HG3  . LYS   A 48  ? 0.536847 0.490295 0.51826  -0.0731931  -0.0572184  -0.0149631  60  LYS   B HG3  
702  H HD2  . LYS   A 48  ? 0.601385 0.585009 0.629439 -0.0994154  -0.0591705  -0.0183     60  LYS   B HD2  
703  H HD3  . LYS   A 48  ? 0.629012 0.570762 0.643681 -0.110141   -0.0538691  -0.0178213  60  LYS   B HD3  
704  H HE2  . LYS   A 48  ? 0.699953 0.640615 0.702235 -0.0932865  -0.0304187  0.00550584  60  LYS   B HE2  
705  H HE3  . LYS   A 48  ? 0.677025 0.658699 0.695611 -0.0875036  -0.0350551  0.00290268  60  LYS   B HE3  
706  H HZ1  . LYS   A 48  ? 0.784018 0.741439 0.827941 -0.125553   -0.0289281  0.00368183  60  LYS   B HZ1  
707  H HZ2  . LYS   A 48  ? 0.758223 0.761351 0.821809 -0.119149   -0.0335982  0.00065035  60  LYS   B HZ2  
708  H HZ3  . LYS   A 48  ? 0.761822 0.743308 0.807221 -0.113496   -0.0179874  0.0147831   60  LYS   B HZ3  
709  N N    . LEU   A 49  ? 0.520153 0.46897  0.464105 -0.0572879  -0.0917518  -0.0380773  61  LEU   B N    
710  C CA   . LEU   A 49  ? 0.553769 0.531812 0.510542 -0.0488624  -0.0976186  -0.0360764  61  LEU   B CA   
711  C C    . LEU   A 49  ? 0.519879 0.524535 0.509442 -0.0552269  -0.0881765  -0.0299675  61  LEU   B C    
712  O O    . LEU   A 49  ? 0.482787 0.490956 0.491404 -0.0704617  -0.0844874  -0.0306579  61  LEU   B O    
713  C CB   . LEU   A 49  ? 0.528942 0.52056  0.488057 -0.0484197  -0.117354   -0.0467149  61  LEU   B CB   
714  C CG   . LEU   A 49  ? 0.536712 0.500588 0.458663 -0.0433071  -0.12742    -0.0538832  61  LEU   B CG   
715  C CD1  . LEU   A 49  ? 0.571677 0.554379 0.498222 -0.0421527  -0.149381   -0.063761   61  LEU   B CD1  
716  C CD2  . LEU   A 49  ? 0.591647 0.536689 0.483106 -0.0286533  -0.120381   -0.0459146  61  LEU   B CD2  
717  H H    . LEU   A 49  ? 0.558679 0.498099 0.496354 -0.0620531  -0.0990026  -0.0457466  61  LEU   B H    
718  H HA   . LEU   A 49  ? 0.527664 0.498544 0.469193 -0.0389108  -0.0945144  -0.0315612  61  LEU   B HA   
719  H HB2  . LEU   A 49  ? 0.537818 0.541304 0.517252 -0.0599558  -0.120763   -0.0511399  61  LEU   B HB2  
720  H HB3  . LEU   A 49  ? 0.525193 0.534591 0.491108 -0.039712   -0.121121   -0.0447605  61  LEU   B HB3  
721  H HG   . LEU   A 49  ? 0.565237 0.511244 0.480392 -0.051066   -0.124172   -0.0574844  61  LEU   B HG   
722  H HD11 . LEU   A 49  ? 0.568961 0.56477  0.517518 -0.054122   -0.153898   -0.0692351  61  LEU   B HD11 
723  H HD12 . LEU   A 49  ? 0.586761 0.55099  0.48609  -0.0383132  -0.156137   -0.0683489  61  LEU   B HD12 
724  H HD13 . LEU   A 49  ? 0.556798 0.557112 0.491023 -0.0329207  -0.152676   -0.0601153  61  LEU   B HD13 
725  H HD21 . LEU   A 49  ? 0.565822 0.499647 0.454635 -0.0303291  -0.10803    -0.0409207  61  LEU   B HD21 
726  H HD22 . LEU   A 49  ? 0.563487 0.52157  0.461174 -0.0214605  -0.121839   -0.0417412  61  LEU   B HD22 
727  H HD23 . LEU   A 49  ? 0.593018 0.523747 0.460772 -0.0247385  -0.126685   -0.049838   61  LEU   B HD23 
728  N N    . SER   A 50  ? 0.53446  0.555674 0.528685 -0.0439583  -0.0833026  -0.0239365  62  SER   B N    
729  C CA   . SER   A 50  ? 0.624507 0.66571  0.641254 -0.0481543  -0.0701958  -0.0169917  62  SER   B CA   
730  C C    . SER   A 50  ? 0.592652 0.668297 0.646019 -0.0592736  -0.0733636  -0.0208895  62  SER   B C    
731  O O    . SER   A 50  ? 0.60413  0.694611 0.677502 -0.0681245  -0.060302   -0.0145399  62  SER   B O    
732  C CB   . SER   A 50  ? 0.652564 0.701242 0.662624 -0.0330442  -0.0640985  -0.0117899  62  SER   B CB   
733  O OG   . SER   A 50  ? 0.739995 0.804737 0.753066 -0.0201362  -0.0749946  -0.0169641  62  SER   B OG   
734  H H    . SER   A 50  ? 0.54648  0.564562 0.527961 -0.0337021  -0.087616   -0.0241375  62  SER   B H    
735  H HA   . SER   A 50  ? 0.603574 0.629381 0.615353 -0.0546263  -0.0620344  -0.012693   62  SER   B HA   
736  H HB2  . SER   A 50  ? 0.658148 0.719589 0.680446 -0.0356575  -0.0547545  -0.00756038 62  SER   B HB2  
737  H HB3  . SER   A 50  ? 0.66001  0.688183 0.650064 -0.0292232  -0.0616862  -0.00891413 62  SER   B HB3  
739  N N    . ASN   A 51  ? 0.619473 0.710774 0.682308 -0.0585542  -0.0904122  -0.0303996  63  ASN   B N    
740  C CA   . ASN   A 51  ? 0.697388 0.825415 0.799612 -0.0719904  -0.0970053  -0.035828   63  ASN   B CA   
741  C C    . ASN   A 51  ? 0.752093 0.862436 0.857775 -0.0947302  -0.102647   -0.0421741  63  ASN   B C    
742  O O    . ASN   A 51  ? 0.83137  0.963503 0.959259 -0.10525    -0.118165   -0.0518817  63  ASN   B O    
743  C CB   . ASN   A 51  ? 0.76819  0.926017 0.880899 -0.0581764  -0.115531   -0.0433501  63  ASN   B CB   
744  C CG   . ASN   A 51  ? 0.835005 0.963282 0.911922 -0.0501528  -0.133062   -0.0503554  63  ASN   B CG   
745  O OD1  . ASN   A 51  ? 1.00898  1.09707  1.05562  -0.0554443  -0.129931   -0.0505447  63  ASN   B OD1  
746  N ND2  . ASN   A 51  ? 0.764648 0.912057 0.842789 -0.0358425  -0.150934   -0.0555495  63  ASN   B ND2  
747  H H    . ASN   A 51  ? 0.633946 0.713993 0.678386 -0.0494069  -0.0988183  -0.0333883  63  ASN   B H    
748  H HA   . ASN   A 51  ? 0.691635 0.838939 0.813249 -0.0748853  -0.0853574  -0.0301685  63  ASN   B HA   
749  H HB2  . ASN   A 51  ? 0.766302 0.953091 0.908868 -0.0676408  -0.121001   -0.0473279  63  ASN   B HB2  
750  H HB3  . ASN   A 51  ? 0.753469 0.922099 0.866548 -0.0441843  -0.110538   -0.0393779  63  ASN   B HB3  
751  H HD21 . ASN   A 51  ? 0.801801 0.931552 0.856554 -0.0307389  -0.161044   -0.0588717  63  ASN   B HD21 
752  H HD22 . ASN   A 51  ? 0.782257 0.960112 0.883834 -0.0304405  -0.152549   -0.0553309  63  ASN   B HD22 
753  N N    . GLY   A 52  ? 0.822277 0.893193 0.90722  -0.102568   -0.091241   -0.0375086  64  GLY   B N    
754  C CA   . GLY   A 52  ? 0.695033 0.743729 0.783207 -0.124243   -0.0933608  -0.0427201  64  GLY   B CA   
755  C C    . GLY   A 52  ? 0.768804 0.794667 0.832529 -0.123147   -0.112726   -0.0571029  64  GLY   B C    
756  O O    . GLY   A 52  ? 0.796327 0.802912 0.861421 -0.141411   -0.118884   -0.065628   64  GLY   B O    
757  H H    . GLY   A 52  ? 0.759345 0.815787 0.827282 -0.0936215  -0.0823878  -0.031116   64  GLY   B H    
758  H HA2  . GLY   A 52  ? 0.742993 0.766684 0.818546 -0.126068   -0.0815704  -0.036118   64  GLY   B HA2  
759  H HA3  . GLY   A 52  ? 0.743443 0.816042 0.861348 -0.137697   -0.0936295  -0.0433537  64  GLY   B HA3  
760  N N    . PHE   A 55  ? 0.707855 0.529303 0.641541 -0.117433   -0.0853416  -0.063778   67  PHE   B N    
761  C CA   . PHE   A 55  ? 0.777419 0.581785 0.688142 -0.0974005  -0.0712336  -0.0543851  67  PHE   B CA   
762  C C    . PHE   A 55  ? 0.747011 0.519392 0.620269 -0.0844941  -0.0730018  -0.0649031  67  PHE   B C    
763  O O    . PHE   A 55  ? 0.806426 0.543469 0.663796 -0.0905114  -0.0766014  -0.0765766  67  PHE   B O    
764  C CB   . PHE   A 55  ? 0.965073 0.747244 0.88083  -0.100455   -0.0559309  -0.0424698  67  PHE   B CB   
765  C CG   . PHE   A 55  ? 0.971431 0.782704 0.912897 -0.103715   -0.0463138  -0.0260163  67  PHE   B CG   
766  C CD1  . PHE   A 55  ? 1.03542  0.867267 0.974921 -0.0877483  -0.0394016  -0.0151288  67  PHE   B CD1  
767  C CD2  . PHE   A 55  ? 1.08814  0.905462 1.05427  -0.123644   -0.0436333  -0.0216754  67  PHE   B CD2  
768  C CE1  . PHE   A 55  ? 1.0295   0.884603 0.986284 -0.0893842  -0.0309795  -0.00177322 67  PHE   B CE1  
769  C CE2  . PHE   A 55  ? 0.990114 0.833116 0.974729 -0.124934   -0.0325106  -0.00634969 67  PHE   B CE2  
770  C CZ   . PHE   A 55  ? 0.982982 0.843638 0.960621 -0.106767   -0.0267241  0.00279302  67  PHE   B CZ   
771  H H    . PHE   A 55  ? 0.718156 0.55903  0.67433  -0.124071   -0.08115    -0.0563301  67  PHE   B H    
772  H HA   . PHE   A 55  ? 0.747625 0.576135 0.663962 -0.0893304  -0.069276   -0.0476037  67  PHE   B HA   
773  H HB2  . PHE   A 55  ? 0.954043 0.715201 0.870465 -0.112638   -0.0585567  -0.0482417  67  PHE   B HB2  
774  H HB3  . PHE   A 55  ? 0.929126 0.694265 0.827255 -0.087424   -0.0493377  -0.0399754  67  PHE   B HB3  
775  H HD1  . PHE   A 55  ? 1.00436  0.833494 0.929543 -0.0761524  -0.0402203  -0.0170598  67  PHE   B HD1  
776  H HD2  . PHE   A 55  ? 1.06676  0.869959 1.03612  -0.136914   -0.0489054  -0.0292346  67  PHE   B HD2  
777  H HE1  . PHE   A 55  ? 0.992538 0.859299 0.945915 -0.0790901  -0.0277824  0.00406399  67  PHE   B HE1  
778  H HE2  . PHE   A 55  ? 1.02139  0.869493 1.02262  -0.138933   -0.0289031  -0.0025837  67  PHE   B HE2  
779  H HZ   . PHE   A 55  ? 0.9796   0.856111 0.966371 -0.106991   -0.0196957  0.0119882   67  PHE   B HZ   
780  N N    . ASP   A 56  ? 0.650536 0.432057 0.508734 -0.0663066  -0.0672549  -0.0593583  68  ASP   B N    
781  C CA   . ASP   A 56  ? 0.65075  0.404953 0.478455 -0.0506802  -0.0585839  -0.0620003  68  ASP   B CA   
782  C C    . ASP   A 56  ? 0.637616 0.383774 0.472018 -0.0421815  -0.04225    -0.0487711  68  ASP   B C    
783  O O    . ASP   A 56  ? 0.606089 0.378588 0.458483 -0.0390208  -0.0364275  -0.0348662  68  ASP   B O    
784  C CB   . ASP   A 56  ? 0.653597 0.423768 0.464848 -0.0370679  -0.0579903  -0.0600788  68  ASP   B CB   
785  C CG   . ASP   A 56  ? 0.670958 0.424808 0.458036 -0.0198598  -0.0439164  -0.0584107  68  ASP   B CG   
786  O OD1  . ASP   A 56  ? 0.702608 0.423642 0.469543 -0.0152494  -0.040029   -0.067808   68  ASP   B OD1  
787  O OD2  . ASP   A 56  ? 0.643942 0.417385 0.431298 -0.0110975  -0.0369234  -0.0488372  68  ASP   B OD2  
788  H H    . ASP   A 56  ? 0.638711 0.444707 0.506693 -0.0638003  -0.0682174  -0.0537224  68  ASP   B H    
789  H HA   . ASP   A 56  ? 0.690357 0.4201   0.502691 -0.0536322  -0.063091   -0.0732189  68  ASP   B HA   
790  H HB2  . ASP   A 56  ? 0.662593 0.432977 0.463242 -0.0397629  -0.0687627  -0.0687752  68  ASP   B HB2  
791  H HB3  . ASP   A 56  ? 0.621445 0.414828 0.448366 -0.0367092  -0.0564463  -0.0508521  68  ASP   B HB3  
792  N N    . SER   A 57  ? 0.744212 0.452485 0.561813 -0.0365793  -0.0356756  -0.0535141  69  SER   B N    
793  C CA   . SER   A 57  ? 0.679182 0.378889 0.50218  -0.0251599  -0.0215908  -0.0403658  69  SER   B CA   
794  C C    . SER   A 57  ? 0.748696 0.423817 0.546538 -0.00471756 -0.0117524  -0.0452762  69  SER   B C    
795  O O    . SER   A 57  ? 0.777975 0.421157 0.550141 -0.00355094 -0.0148502  -0.0611075  69  SER   B O    
796  C CB   . SER   A 57  ? 0.795702 0.471458 0.629467 -0.0367661  -0.019923   -0.0354197  69  SER   B CB   
797  O OG   . SER   A 57  ? 0.779411 0.441395 0.610639 -0.0205997  -0.00760963 -0.0234553  69  SER   B OG   
798  H H    . SER   A 57  ? 0.740189 0.427042 0.541852 -0.0387239  -0.0404942  -0.0651056  69  SER   B H    
799  H HA   . SER   A 57  ? 0.682467 0.409241 0.518204 -0.0216056  -0.0187018  -0.0302636  69  SER   B HA   
800  H HB2  . SER   A 57  ? 0.745073 0.441372 0.597156 -0.0476603  -0.0227231  -0.029522   69  SER   B HB2  
801  H HB3  . SER   A 57  ? 0.797724 0.446683 0.621074 -0.0440742  -0.0245127  -0.0461094  69  SER   B HB3  
803  N N    . SER   A 58  ? 0.698356 0.3911   0.504119 0.0115551   -0.00043604 -0.0324662  70  SER   B N    
804  C CA   . SER   A 58  ? 0.700752 0.376968 0.490557 0.0335225   0.0116605   -0.0342809  70  SER   B CA   
805  C C    . SER   A 58  ? 0.776272 0.400276 0.550106 0.037261    0.0139042   -0.0412235  70  SER   B C    
806  O O    . SER   A 58  ? 0.793838 0.388798 0.541839 0.0520674   0.0200796   -0.0528617  70  SER   B O    
807  C CB   . SER   A 58  ? 0.712976 0.420796 0.522733 0.0473731   0.0207434   -0.0180184  70  SER   B CB   
808  O OG   . SER   A 58  ? 0.672695 0.38809  0.502936 0.0400886   0.0175391   -0.00464776 70  SER   B OG   
809  H H    . SER   A 58  ? 0.670861 0.388139 0.493209 0.00926404  -0.00047369 -0.0226947  70  SER   B H    
810  H HA   . SER   A 58  ? 0.726362 0.403663 0.501033 0.0374107   0.0123098   -0.0423859  70  SER   B HA   
811  H HB2  . SER   A 58  ? 0.718431 0.414991 0.521316 0.0628826   0.0289709   -0.0184586  70  SER   B HB2  
812  H HB3  . SER   A 58  ? 0.673885 0.409056 0.488758 0.0466519   0.0207973   -0.0159482  70  SER   B HB3  
814  N N    . HIS   A 59  ? 0.768899 0.378084 0.55553  0.0241471   0.0100525   -0.0339839  71  HIS   B N    
815  C CA   . HIS   A 59  ? 0.813211 0.366081 0.583684 0.0245871   0.0118341   -0.0392167  71  HIS   B CA   
816  C C    . HIS   A 59  ? 0.870789 0.387223 0.614704 0.0150094   0.00368731  -0.0622698  71  HIS   B C    
817  O O    . HIS   A 59  ? 0.91583  0.379894 0.636397 0.0218341   0.00659142  -0.0717167  71  HIS   B O    
818  C CB   . HIS   A 59  ? 0.814682 0.357407 0.602305 0.00965616  0.0107848   -0.024844   71  HIS   B CB   
819  C CG   . HIS   A 59  ? 0.809505 0.380856 0.614626 0.0231065   0.0179748   -0.00314586 71  HIS   B CG   
820  N ND1  . HIS   A 59  ? 0.875581 0.435498 0.673469 0.0504703   0.0271441   0.00395726  71  HIS   B ND1  
821  C CD2  . HIS   A 59  ? 0.848281 0.460354 0.67572  0.015635    0.0164614   0.0115664   71  HIS   B CD2  
822  C CE1  . HIS   A 59  ? 0.891769 0.483405 0.707434 0.0573356   0.0289734   0.0226788   71  HIS   B CE1  
823  N NE2  . HIS   A 59  ? 0.812822 0.435221 0.644325 0.0366785   0.0229105   0.0269713   71  HIS   B NE2  
824  H H    . HIS   A 59  ? 0.740338 0.372764 0.544433 0.0150057   0.00706459  -0.0254522  71  HIS   B H    
825  H HA   . HIS   A 59  ? 0.832724 0.376097 0.595942 0.0442817   0.0204732   -0.0363283  71  HIS   B HA   
826  H HB2  . HIS   A 59  ? 0.803338 0.360889 0.602111 -0.00923752 0.00361057  -0.0265319  71  HIS   B HB2  
827  H HB3  . HIS   A 59  ? 0.862476 0.362866 0.637066 0.00908353  0.0121224   -0.0284898  71  HIS   B HB3  
829  H HD2  . HIS   A 59  ? 0.799682 0.43     0.637609 0.00010265  0.0115818   0.0111732   71  HIS   B HD2  
830  H HE1  . HIS   A 59  ? 0.875882 0.469938 0.692434 0.0754087   0.0333839   0.0306094   71  HIS   B HE1  
832  N N    . ASP   A 60  ? 0.884877 0.425352 0.630057 -0.00032025 -0.0079581  -0.0719377  72  ASP   B N    
833  C CA   . ASP   A 60  ? 1.0426   0.551725 0.759259 -0.00817904 -0.0186545  -0.09505    72  ASP   B CA   
834  C C    . ASP   A 60  ? 1.09392  0.575478 0.773229 0.0176361   -0.00885348 -0.10696    72  ASP   B C    
835  O O    . ASP   A 60  ? 1.1653   0.603405 0.811873 0.0160792   -0.0149781  -0.127413   72  ASP   B O    
836  C CB   . ASP   A 60  ? 1.0489   0.593549 0.769506 -0.0223732  -0.0334761  -0.102469   72  ASP   B CB   
837  C CG   . ASP   A 60  ? 1.08184  0.661773 0.839329 -0.0462131  -0.043986   -0.0939277  72  ASP   B CG   
838  O OD1  . ASP   A 60  ? 1.11296  0.674589 0.886449 -0.0622813  -0.0447039  -0.0901919  72  ASP   B OD1  
839  O OD2  . ASP   A 60  ? 0.856416 0.480648 0.62533  -0.0479726  -0.0504213  -0.090692   72  ASP   B OD2  
840  H H    . ASP   A 60  ? 0.859623 0.435464 0.622389 -0.00563558 -0.0103293  -0.064435   72  ASP   B H    
841  H HA   . ASP   A 60  ? 1.05323  0.532306 0.768982 -0.0208661  -0.0233856  -0.0997197  72  ASP   B HA   
842  H HB2  . ASP   A 60  ? 1.03331  0.601861 0.750702 -0.0101867  -0.0284658  -0.098335   72  ASP   B HB2  
843  H HB3  . ASP   A 60  ? 1.09149  0.612362 0.790743 -0.0267721  -0.0416927  -0.118245   72  ASP   B HB3  
844  N N    . ARG   A 61  ? 1.06533  0.575706 0.74937  0.0406853   0.00597927  -0.0953124  73  ARG   B N    
845  C CA   . ARG   A 61  ? 1.0843   0.582609 0.73809  0.0662472   0.0185818   -0.104307   73  ARG   B CA   
846  C C    . ARG   A 61  ? 1.12178  0.603937 0.77934  0.0912138   0.035025    -0.0953905  73  ARG   B C    
847  O O    . ARG   A 61  ? 1.08476  0.565862 0.72572  0.116986    0.0497168   -0.0990242  73  ARG   B O    
848  C CB   . ARG   A 61  ? 1.08997  0.640216 0.749222 0.0701768   0.0222135   -0.0978643  73  ARG   B CB   
849  C CG   . ARG   A 61  ? 1.06878  0.630414 0.722169 0.0481461   0.00386212  -0.106121   73  ARG   B CG   
850  C CD   . ARG   A 61  ? 1.06728  0.672369 0.721938 0.051102    0.00652403  -0.0985448  73  ARG   B CD   
851  N NE   . ARG   A 61  ? 1.01913  0.666071 0.712003 0.053396    0.0150906   -0.0772804  73  ARG   B NE   
852  C CZ   . ARG   A 61  ? 0.926866 0.604195 0.649686 0.0382644   0.0062306   -0.0660458  73  ARG   B CZ   
853  N NH1  . ARG   A 61  ? 0.850972 0.524222 0.575545 0.0196819   -0.010836   -0.0730139  73  ARG   B NH1  
854  N NH2  . ARG   A 61  ? 0.817834 0.529669 0.56842  0.0425387   0.0142157   -0.0491007  73  ARG   B NH2  
855  H H    . ARG   A 61  ? 1.02046  0.561517 0.728157 0.0398583   0.00843568  -0.0814264  73  ARG   B H    
856  H HA   . ARG   A 61  ? 1.14038  0.605802 0.766667 0.0639315   0.0132305   -0.120697   73  ARG   B HA   
857  H HB2  . ARG   A 61  ? 1.03817  0.6195   0.724063 0.0712814   0.0264279   -0.0829067  73  ARG   B HB2  
858  H HB3  . ARG   A 61  ? 1.09777  0.643197 0.737194 0.0865264   0.0323709   -0.102919   73  ARG   B HB3  
859  H HG2  . ARG   A 61  ? 1.11906  0.650437 0.745184 0.0467533   -0.00197863 -0.121696   73  ARG   B HG2  
860  H HG3  . ARG   A 61  ? 1.05835  0.626808 0.733257 0.0325748   -0.00509389 -0.101415   73  ARG   B HG3  
861  H HD2  . ARG   A 61  ? 1.08421  0.682345 0.715074 0.0646058   0.015461    -0.103725   73  ARG   B HD2  
862  H HD3  . ARG   A 61  ? 1.05318  0.664827 0.705833 0.0381754   -0.00646757 -0.10258    73  ARG   B HD3  
863  H HE   . ARG   A 61  ? 1.00526  0.657716 0.70075  0.0664786   0.0269215   -0.0721965  73  ARG   B HE   
864  H HH11 . ARG   A 61  ? 0.889565 0.543009 0.614675 0.0127621   -0.0159385  -0.0784657  73  ARG   B HH11 
865  H HH12 . ARG   A 61  ? 0.856567 0.547419 0.582678 0.0142691   -0.0170755  -0.0719725  73  ARG   B HH12 
866  H HH21 . ARG   A 61  ? 0.838451 0.559745 0.588443 0.053917    0.0245145   -0.0450857  73  ARG   B HH21 
867  H HH22 . ARG   A 61  ? 0.810875 0.536679 0.580368 0.0337567   0.00897024  -0.0423588  73  ARG   B HH22 
868  N N    . ASN   A 62  ? 1.03394  0.504451 0.712759 0.0844032   0.0328379   -0.0831037  74  ASN   B N    
869  C CA   . ASN   A 62  ? 1.09495  0.534428 0.771023 0.107222    0.044292    -0.0762334  74  ASN   B CA   
870  C C    . ASN   A 62  ? 1.05548  0.539143 0.746159 0.136199    0.0596773   -0.0644529  74  ASN   B C    
871  O O    . ASN   A 62  ? 1.18422  0.646238 0.863306 0.164595    0.0720669   -0.0658862  74  ASN   B O    
872  C CB   . ASN   A 62  ? 1.07733  0.442543 0.713034 0.113694    0.0445623   -0.096619   74  ASN   B CB   
873  H H    . ASN   A 62  ? 1.0358   0.517989 0.730587 0.0659401   0.0242985   -0.0781053  74  ASN   B H    
874  H HA   . ASN   A 62  ? 1.05544  0.494044 0.748385 0.0979515   0.0408202   -0.0647941  74  ASN   B HA   
877  N N    . GLU   A 63  ? 0.980526 0.526079 0.696854 0.129558    0.0590941   -0.0538099  75  GLU   B N    
878  C CA   . GLU   A 63  ? 0.943944 0.537286 0.68153  0.151619    0.0720747   -0.0413743  75  GLU   B CA   
879  C C    . GLU   A 63  ? 0.84733  0.498481 0.618133 0.134639    0.0653663   -0.0265589  75  GLU   B C    
880  O O    . GLU   A 63  ? 0.823562 0.480953 0.593384 0.110373    0.0540478   -0.0301014  75  GLU   B O    
881  C CB   . GLU   A 63  ? 0.948892 0.553563 0.668138 0.169359    0.0861776   -0.0518994  75  GLU   B CB   
882  C CG   . GLU   A 63  ? 0.980359 0.605593 0.688738 0.150397    0.0810429   -0.0587466  75  GLU   B CG   
883  C CD   . GLU   A 63  ? 1.03407  0.661936 0.714007 0.165398    0.0953937   -0.0697064  75  GLU   B CD   
884  O OE1  . GLU   A 63  ? 0.992242 0.645173 0.667137 0.152228    0.0929665   -0.0694594  75  GLU   B OE1  
885  O OE2  . GLU   A 63  ? 1.0668   0.669949 0.726547 0.190812    0.109538    -0.0782751  75  GLU   B OE2  
886  H H    . GLU   A 63  ? 0.958079 0.516672 0.680006 0.110611    0.0501636   -0.0542403  75  GLU   B H    
887  H HA   . GLU   A 63  ? 0.952797 0.536299 0.69674  0.166415    0.0763706   -0.0344786  75  GLU   B HA   
888  H HB2  . GLU   A 63  ? 0.948    0.584874 0.686108 0.183966    0.0955008   -0.0424986  75  GLU   B HB2  
889  H HB3  . GLU   A 63  ? 1.01011  0.575402 0.704058 0.180682    0.0903617   -0.0634611  75  GLU   B HB3  
890  H HG2  . GLU   A 63  ? 0.982514 0.582409 0.677969 0.134632    0.0694005   -0.0667184  75  GLU   B HG2  
891  H HG3  . GLU   A 63  ? 0.928833 0.592016 0.661438 0.141485    0.0784019   -0.0473614  75  GLU   B HG3  
892  N N    . PRO   A 64  ? 0.77708  0.472884 0.577642 0.147431    0.0712576   -0.0108597  76  PRO   B N    
893  C CA   . PRO   A 64  ? 0.730206 0.477187 0.558804 0.131418    0.0644589   0.00104902  76  PRO   B CA   
894  C C    . PRO   A 64  ? 0.795743 0.568658 0.619354 0.121981    0.0672406   -0.00472321 76  PRO   B C    
895  O O    . PRO   A 64  ? 0.735898 0.500906 0.539277 0.133766    0.0787317   -0.0144397  76  PRO   B O    
896  C CB   . PRO   A 64  ? 0.740148 0.526782 0.598755 0.149456    0.069844    0.016056    76  PRO   B CB   
897  C CG   . PRO   A 64  ? 0.803161 0.556123 0.651382 0.176388    0.0778717   0.0148627   76  PRO   B CG   
898  C CD   . PRO   A 64  ? 0.863176 0.563377 0.672871 0.177918    0.0829694   -0.00436177 76  PRO   B CD   
899  H HA   . PRO   A 64  ? 0.735732 0.474736 0.566867 0.116515    0.0548013   0.00367454  76  PRO   B HA   
900  H HB2  . PRO   A 64  ? 0.723626 0.542171 0.592454 0.152686    0.0761365   0.0170612   76  PRO   B HB2  
901  H HB3  . PRO   A 64  ? 0.714541 0.514936 0.587664 0.140874    0.0615964   0.0251703   76  PRO   B HB3  
902  H HG2  . PRO   A 64  ? 0.801658 0.5812   0.664271 0.193582    0.0857929   0.0192607   76  PRO   B HG2  
903  H HG3  . PRO   A 64  ? 0.807886 0.544847 0.658009 0.175843    0.0716693   0.0215698   76  PRO   B HG3  
904  H HD2  . PRO   A 64  ? 0.85564  0.56577  0.66022  0.190705    0.0935926   -0.00971725 76  PRO   B HD2  
905  H HD3  . PRO   A 64  ? 0.878326 0.539722 0.67524  0.185534    0.0825275   -0.006435   76  PRO   B HD3  
906  N N    . PHE   A 65  ? 0.678207 0.478592 0.516851 0.101757    0.0572471   0.00168725  77  PHE   B N    
907  C CA   . PHE   A 65  ? 0.656333 0.480686 0.491859 0.0914454   0.0582669   0.00016793  77  PHE   B CA   
908  C C    . PHE   A 65  ? 0.63776  0.511307 0.5029   0.0960871   0.0655756   0.012989    77  PHE   B C    
909  O O    . PHE   A 65  ? 0.582494 0.478774 0.473526 0.0932949   0.0590355   0.023538    77  PHE   B O    
910  C CB   . PHE   A 65  ? 0.641186 0.464146 0.474519 0.0684789   0.0431064   -0.00121103 77  PHE   B CB   
911  C CG   . PHE   A 65  ? 0.651665 0.494209 0.478877 0.0594248   0.0432143   -0.00097297 77  PHE   B CG   
912  C CD1  . PHE   A 65  ? 0.686072 0.512422 0.482633 0.0631343   0.0487789   -0.0106762  77  PHE   B CD1  
913  C CD2  . PHE   A 65  ? 0.662727 0.536876 0.511183 0.048914    0.0388254   0.0094412   77  PHE   B CD2  
914  C CE1  . PHE   A 65  ? 0.606706 0.447185 0.39397  0.0561668   0.050062    -0.00784606 77  PHE   B CE1  
915  C CE2  . PHE   A 65  ? 0.67194  0.557666 0.512527 0.0409249   0.0396995   0.011098    77  PHE   B CE2  
916  C CZ   . PHE   A 65  ? 0.639543 0.508028 0.449157 0.0445345   0.0455321   0.00348422  77  PHE   B CZ   
917  H H    . PHE   A 65  ? 0.679524 0.4817   0.529032 0.0948035   0.049901    0.00754293  77  PHE   B H    
918  H HA   . PHE   A 65  ? 0.685052 0.494655 0.499752 0.0974541   0.0647334   -0.0083794  77  PHE   B HA   
919  H HB2  . PHE   A 65  ? 0.663002 0.458289 0.480622 0.0646248   0.0380617   -0.00971991 77  PHE   B HB2  
920  H HB3  . PHE   A 65  ? 0.624241 0.459386 0.475248 0.0634227   0.0376128   0.00638569  77  PHE   B HB3  
921  H HD1  . PHE   A 65  ? 0.694734 0.497524 0.474096 0.0706301   0.0514449   -0.0192195  77  PHE   B HD1  
922  H HD2  . PHE   A 65  ? 0.63601  0.520818 0.502047 0.0470328   0.034717    0.0153672   77  PHE   B HD2  
923  H HE1  . PHE   A 65  ? 0.662381 0.490111 0.425223 0.0592305   0.0534825   -0.0138735  77  PHE   B HE1  
924  H HE2  . PHE   A 65  ? 0.631599 0.534107 0.485093 0.0331987   0.0360154   0.0173832   77  PHE   B HE2  
925  H HZ   . PHE   A 65  ? 0.635609 0.50948  0.437254 0.039626    0.0465993   0.00604166  77  PHE   B HZ   
926  N N    . VAL   A 66  ? 0.614306 0.504187 0.475    0.103901    0.0798891   0.0118843   78  VAL   B N    
927  C CA   . VAL   A 66  ? 0.61442  0.55384  0.506524 0.106502    0.0886587   0.0235041   78  VAL   B CA   
928  C C    . VAL   A 66  ? 0.664852 0.622586 0.554366 0.0888034   0.0902756   0.0267044   78  VAL   B C    
929  O O    . VAL   A 66  ? 0.707709 0.643727 0.565221 0.0871932   0.0954991   0.0193102   78  VAL   B O    
930  C CB   . VAL   A 66  ? 0.703819 0.650304 0.59723  0.132376    0.107929    0.0216714   78  VAL   B CB   
931  C CG1  . VAL   A 66  ? 0.704801 0.709109 0.634106 0.13542     0.120457    0.0329708   78  VAL   B CG1  
932  C CG2  . VAL   A 66  ? 0.777774 0.70046  0.672334 0.151791    0.105253    0.0199352   78  VAL   B CG2  
933  H H    . VAL   A 66  ? 0.650657 0.520922 0.487932 0.107033    0.0845498   0.00362633  78  VAL   B H    
934  H HA   . VAL   A 66  ? 0.612203 0.566837 0.525675 0.104354    0.081184    0.0303553   78  VAL   B HA   
935  H HB   . VAL   A 66  ? 0.727753 0.653402 0.59428  0.135153    0.114876    0.0133919   78  VAL   B HB   
936  H HG11 . VAL   A 66  ? 0.6741   0.700492 0.627839 0.127296    0.110903    0.0405048   78  VAL   B HG11 
937  H HG12 . VAL   A 66  ? 0.700903 0.711632 0.621737 0.126547    0.126944    0.0329585   78  VAL   B HG12 
938  H HG13 . VAL   A 66  ? 0.717313 0.730066 0.65341  0.154342    0.131498    0.0327042   78  VAL   B HG13 
939  H HG21 . VAL   A 66  ? 0.775796 0.711631 0.678768 0.169938    0.116969    0.0210444   78  VAL   B HG21 
940  H HG22 . VAL   A 66  ? 0.781689 0.665218 0.649932 0.151521    0.102214    0.010797    78  VAL   B HG22 
941  H HG23 . VAL   A 66  ? 0.740358 0.67302  0.65261  0.146512    0.0948792   0.0270365   78  VAL   B HG23 
942  N N    . PHE   A 67  ? 0.612876 0.607902 0.533324 0.0766284   0.0858295   0.0376445   79  PHE   B N    
943  C CA   . PHE   A 67  ? 0.55741  0.567338 0.477079 0.0591409   0.0882733   0.0426075   79  PHE   B CA   
944  C C    . PHE   A 67  ? 0.556691 0.614713 0.518151 0.0509381   0.0888909   0.0542801   79  PHE   B C    
945  O O    . PHE   A 67  ? 0.524457 0.602775 0.513112 0.0570847   0.0817638   0.0578322   79  PHE   B O    
946  C CB   . PHE   A 67  ? 0.559823 0.545106 0.460867 0.0413423   0.0716828   0.0398147   79  PHE   B CB   
947  C CG   . PHE   A 67  ? 0.497874 0.492051 0.420078 0.0316923   0.0546486   0.0435319   79  PHE   B CG   
948  C CD1  . PHE   A 67  ? 0.545302 0.525159 0.468741 0.0384413   0.0455016   0.0402818   79  PHE   B CD1  
949  C CD2  . PHE   A 67  ? 0.517736 0.528    0.452239 0.0150054   0.0479058   0.0496534   79  PHE   B CD2  
950  C CE1  . PHE   A 67  ? 0.508302 0.495237 0.445533 0.0303295   0.0315287   0.0440668   79  PHE   B CE1  
951  C CE2  . PHE   A 67  ? 0.464677 0.480258 0.412682 0.00776008  0.0326666   0.0512799   79  PHE   B CE2  
952  C CZ   . PHE   A 67  ? 0.49734  0.501818 0.44514  0.016069    0.025061    0.0485145   79  PHE   B CZ   
953  H H    . PHE   A 67  ? 0.593024 0.602451 0.534052 0.0790676   0.0806085   0.0421332   79  PHE   B H    
954  H HA   . PHE   A 67  ? 0.594053 0.599877 0.498025 0.0639127   0.100814    0.040649    79  PHE   B HA   
955  H HB2  . PHE   A 67  ? 0.552225 0.541076 0.446869 0.0326562   0.0752961   0.0429029   79  PHE   B HB2  
956  H HB3  . PHE   A 67  ? 0.562139 0.520115 0.44048  0.0452688   0.0688284   0.0320593   79  PHE   B HB3  
957  H HD1  . PHE   A 67  ? 0.544389 0.508388 0.457825 0.0486343   0.0494788   0.0357362   79  PHE   B HD1  
958  H HD2  . PHE   A 67  ? 0.508036 0.525086 0.441004 0.00885408  0.0544708   0.0528975   79  PHE   B HD2  
959  H HE1  . PHE   A 67  ? 0.512336 0.489432 0.449215 0.0346996   0.0269423   0.0433403   79  PHE   B HE1  
960  H HE2  . PHE   A 67  ? 0.473283 0.496943 0.427594 -0.00317437 0.0277754   0.0541554   79  PHE   B HE2  
961  H HZ   . PHE   A 67  ? 0.47565  0.483732 0.429906 0.0117478   0.0158623   0.0500536   79  PHE   B HZ   
962  N N    . SER   A 68  ? 0.590672 0.665903 0.555778 0.0368182   0.0974037   0.0605176   80  SER   B N    
963  C CA   . SER   A 68  ? 0.553061 0.672777 0.557701 0.023616    0.0976701   0.0707147   80  SER   B CA   
964  C C    . SER   A 68  ? 0.531846 0.638889 0.533863 0.00183107  0.0782759   0.0716421   80  SER   B C    
965  O O    . SER   A 68  ? 0.534287 0.609821 0.506096 -0.00765981 0.0758191   0.0695547   80  SER   B O    
966  C CB   . SER   A 68  ? 0.594954 0.738824 0.606083 0.0180202   0.119732    0.0780566   80  SER   B CB   
967  O OG   . SER   A 68  ? 0.635253 0.79312  0.648345 0.0409948   0.139926    0.0764505   80  SER   B OG   
968  H H    . SER   A 68  ? 0.592704 0.649663 0.533438 0.0346196   0.102918    0.0583644   80  SER   B H    
969  H HA   . SER   A 68  ? 0.552955 0.695156 0.58197  0.0325402   0.0954372   0.0722091   80  SER   B HA   
970  H HB2  . SER   A 68  ? 0.606195 0.725703 0.590341 0.00998889  0.121731    0.0776331   80  SER   B HB2  
971  H HB3  . SER   A 68  ? 0.583872 0.757738 0.624039 0.0063125   0.118351    0.0846101   80  SER   B HB3  
973  N N    . LEU   A 69  ? 0.58933  0.719379 0.620185 -0.00411761 0.0638279   0.0742097   81  LEU   B N    
974  C CA   . LEU   A 69  ? 0.503832 0.617389 0.52763  -0.0208691  0.0450363   0.0726165   81  LEU   B CA   
975  C C    . LEU   A 69  ? 0.572563 0.688011 0.597673 -0.0437756  0.0468773   0.0776296   81  LEU   B C    
976  O O    . LEU   A 69  ? 0.497894 0.6481   0.551071 -0.0534714  0.0566728   0.0850053   81  LEU   B O    
977  C CB   . LEU   A 69  ? 0.581612 0.718812 0.631345 -0.0180808  0.0296419   0.0733584   81  LEU   B CB   
978  C CG   . LEU   A 69  ? 0.593215 0.714103 0.633687 -0.0312928  0.0098692   0.0700854   81  LEU   B CG   
979  C CD1  . LEU   A 69  ? 0.592514 0.673544 0.601108 -0.0243026  0.00437155  0.063648    81  LEU   B CD1  
980  C CD2  . LEU   A 69  ? 0.64268  0.791473 0.707035 -0.0301586  -0.00516461 0.0716916   81  LEU   B CD2  
981  H H    . LEU   A 69  ? 0.548137 0.704752 0.602473 0.00353747  0.0654369   0.0766958   81  LEU   B H    
982  H HA   . LEU   A 69  ? 0.546711 0.629874 0.545405 -0.0175715  0.0409004   0.0675093   81  LEU   B HA   
983  H HB2  . LEU   A 69  ? 0.561585 0.693721 0.607941 -0.00292024 0.0301413   0.0715641   81  LEU   B HB2  
984  H HB3  . LEU   A 69  ? 0.561152 0.731574 0.637927 -0.0209814  0.0324005   0.0780012   81  LEU   B HB3  
985  H HG   . LEU   A 69  ? 0.604643 0.721617 0.642689 -0.0458475  0.00951913  0.0708932   81  LEU   B HG   
986  H HD11 . LEU   A 69  ? 0.597918 0.660246 0.589341 -0.025772   0.0106027   0.0618269   81  LEU   B HD11 
987  H HD12 . LEU   A 69  ? 0.587129 0.661088 0.591144 -0.0309468  -0.00661726 0.0617093   81  LEU   B HD12 
988  H HD13 . LEU   A 69  ? 0.590592 0.671539 0.59999  -0.0115331  0.00557575  0.0632644   81  LEU   B HD13 
989  H HD21 . LEU   A 69  ? 0.622935 0.803474 0.712832 -0.031002   -0.00196468 0.0758089   81  LEU   B HD21 
990  H HD22 . LEU   A 69  ? 0.619918 0.762184 0.67861  -0.0169108  -0.00747387 0.070928    81  LEU   B HD22 
991  H HD23 . LEU   A 69  ? 0.622782 0.763799 0.681525 -0.041488   -0.0158955  0.0693918   81  LEU   B HD23 
992  N N    . GLY   A 70  ? 0.613651 0.690861 0.608875 -0.0523755  0.0375921   0.0739811   82  GLY   B N    
993  C CA   . GLY   A 70  ? 0.677623 0.741598 0.665009 -0.0730893  0.036081    0.0780762   82  GLY   B CA   
994  C C    . GLY   A 70  ? 0.688879 0.748661 0.664064 -0.0785465  0.0558906   0.0858      82  GLY   B C    
995  O O    . GLY   A 70  ? 0.723567 0.784796 0.705046 -0.0984961  0.0586431   0.0929471   82  GLY   B O    
996  H H    . GLY   A 70  ? 0.608596 0.666222 0.587644 -0.0444702  0.0318875   0.0688207   82  GLY   B H    
997  H HA2  . GLY   A 70  ? 0.660843 0.697217 0.627375 -0.0738645  0.0266972   0.0739259   82  GLY   B HA2  
998  H HA3  . GLY   A 70  ? 0.657028 0.740745 0.666957 -0.0836867  0.0303657   0.0801041   82  GLY   B HA3  
999  N N    . LYS   A 71  ? 0.694037 0.749218 0.652052 -0.0617473  0.0704258   0.0846848   83  LYS   B N    
1000 C CA   . LYS   A 71  ? 0.704962 0.757558 0.64652  -0.0632554  0.0919191   0.092083    83  LYS   B CA   
1001 C C    . LYS   A 71  ? 0.761288 0.764998 0.650834 -0.057831   0.0895411   0.0887737   83  LYS   B C    
1002 O O    . LYS   A 71  ? 0.911638 0.905332 0.774891 -0.0529666  0.106094    0.0927053   83  LYS   B O    
1003 C CB   . LYS   A 71  ? 0.654559 0.741587 0.61438  -0.0470627  0.111538    0.0929733   83  LYS   B CB   
1004 H H    . LYS   A 71  ? 0.680819 0.732314 0.634962 -0.0487032  0.0667929   0.0787831   83  LYS   B H    
1005 H HA   . LYS   A 71  ? 0.712438 0.773713 0.665438 -0.0793711  0.0953796   0.0995062   83  LYS   B HA   
1008 N N    . GLY   A 72  ? 0.794002 0.769496 0.668386 -0.0578774  0.0689042   0.0817678   84  GLY   B N    
1009 C CA   . GLY   A 72  ? 0.866404 0.801637 0.697321 -0.0507936  0.0622284   0.0774481   84  GLY   B CA   
1010 C C    . GLY   A 72  ? 0.792924 0.720178 0.602903 -0.0317205  0.0661444   0.0684334   84  GLY   B C    
1011 O O    . GLY   A 72  ? 0.788298 0.687803 0.559865 -0.0260845  0.0653968   0.0664857   84  GLY   B O    
1012 H H    . GLY   A 72  ? 0.775208 0.758786 0.667613 -0.0619451  0.0584237   0.0795843   84  GLY   B H    
1013 H HA2  . GLY   A 72  ? 0.823163 0.746953 0.653471 -0.0523809  0.0476582   0.0733317   84  GLY   B HA2  
1014 H HA3  . GLY   A 72  ? 0.858269 0.780545 0.671943 -0.0573248  0.0686552   0.0845215   84  GLY   B HA3  
1015 N N    . GLN   A 73  ? 0.67018  0.618169 0.502222 -0.02111    0.0688706   0.0624047   85  GLN   B N    
1016 C CA   . GLN   A 73  ? 0.630154 0.565921 0.441826 -0.00403163 0.0730059   0.0526789   85  GLN   B CA   
1017 C C    . GLN   A 73  ? 0.608932 0.523149 0.411483 -0.00029263 0.0531248   0.0416333   85  GLN   B C    
1018 O O    . GLN   A 73  ? 0.635882 0.530228 0.414416 0.00967374  0.0510943   0.0317743   85  GLN   B O    
1019 C CB   . GLN   A 73  ? 0.649274 0.611079 0.484936 0.0082174   0.0865991   0.051485    85  GLN   B CB   
1020 C CG   . GLN   A 73  ? 0.674415 0.660585 0.516347 0.00853415  0.110656    0.060874    85  GLN   B CG   
1021 C CD   . GLN   A 73  ? 0.662221 0.683401 0.538573 0.0213495   0.122452    0.0612836   85  GLN   B CD   
1022 O OE1  . GLN   A 73  ? 0.667351 0.685971 0.553833 0.0329772   0.113683    0.0540133   85  GLN   B OE1  
1023 N NE2  . GLN   A 73  ? 0.754112 0.808024 0.647942 0.0202387   0.143558    0.0706351   85  GLN   B NE2  
1024 H H    . GLN   A 73  ? 0.661376 0.629916 0.520807 -0.0245     0.0674884   0.064319    85  GLN   B H    
1025 H HA   . GLN   A 73  ? 0.669641 0.591675 0.454278 -0.00186966 0.0802122   0.0536151   85  GLN   B HA   
1026 H HB2  . GLN   A 73  ? 0.622199 0.60018  0.484923 0.00581939  0.0802049   0.05274     85  GLN   B HB2  
1027 H HB3  . GLN   A 73  ? 0.6549   0.601679 0.475186 0.0192011   0.0860325   0.0432174   85  GLN   B HB3  
1028 H HG2  . GLN   A 73  ? 0.698995 0.668316 0.510771 0.0141504   0.118754    0.0588927   85  GLN   B HG2  
1029 H HG3  . GLN   A 73  ? 0.66814  0.664098 0.520793 -0.00510854 0.111019    0.0691441   85  GLN   B HG3  
1030 H HE21 . GLN   A 73  ? 0.723691 0.801808 0.639722 0.0291422   0.151193    0.0713411   85  GLN   B HE21 
1031 H HE22 . GLN   A 73  ? 0.73998  0.792273 0.623949 0.0107438   0.150453    0.0766722   85  GLN   B HE22 
1032 N N    . VAL   A 74  ? 0.541548 0.461494 0.364649 -0.00868503 0.0391946   0.0427397   86  VAL   B N    
1033 C CA   . VAL   A 74  ? 0.5063   0.414135 0.329142 -0.00718826 0.0225817   0.0345254   86  VAL   B CA   
1034 C C    . VAL   A 74  ? 0.489522 0.390259 0.310249 -0.0167804  0.0102507   0.0373246   86  VAL   B C    
1035 O O    . VAL   A 74  ? 0.503382 0.407873 0.326439 -0.0256338  0.0145839   0.0457335   86  VAL   B O    
1036 C CB   . VAL   A 74  ? 0.518171 0.442735 0.370098 -0.00387185 0.0206322   0.0333993   86  VAL   B CB   
1037 C CG1  . VAL   A 74  ? 0.550327 0.471474 0.399201 0.0090901   0.0298824   0.0283175   86  VAL   B CG1  
1038 C CG2  . VAL   A 74  ? 0.534997 0.48716  0.415616 -0.0109924  0.0231259   0.042435    86  VAL   B CG2  
1039 H H    . VAL   A 74  ? 0.540445 0.473483 0.37892  -0.016322   0.0406276   0.049027    86  VAL   B H    
1040 H HA   . VAL   A 74  ? 0.528852 0.421458 0.332889 -0.00176027 0.0206589   0.0281815   86  VAL   B HA   
1041 H HB   . VAL   A 74  ? 0.510153 0.428132 0.362965 -0.00553378 0.0103674   0.029857    86  VAL   B HB   
1042 H HG11 . VAL   A 74  ? 0.555681 0.484623 0.403196 0.0124902   0.0413499   0.0313355   86  VAL   B HG11 
1043 H HG12 . VAL   A 74  ? 0.556872 0.45912  0.387454 0.0116511   0.0260483   0.0212893   86  VAL   B HG12 
1044 H HG13 . VAL   A 74  ? 0.532825 0.462015 0.398483 0.0118812   0.0282068   0.0289888   86  VAL   B HG13 
1045 H HG21 . VAL   A 74  ? 0.511327 0.472075 0.406949 -0.0085937  0.0189005   0.041999    86  VAL   B HG21 
1046 H HG22 . VAL   A 74  ? 0.522348 0.471481 0.400778 -0.0195455  0.0177404   0.0447362   86  VAL   B HG22 
1047 H HG23 . VAL   A 74  ? 0.5321   0.496148 0.417726 -0.00926012 0.034058    0.0462201   86  VAL   B HG23 
1048 N N    . ILE   A 75  ? 0.482011 0.3745   0.302368 -0.0154207  -0.00414149 0.0304822   87  ILE   B N    
1049 C CA   . ILE   A 75  ? 0.483348 0.368488 0.300827 -0.0202851  -0.0153499  0.0316517   87  ILE   B CA   
1050 C C    . ILE   A 75  ? 0.503284 0.402316 0.342651 -0.0285434  -0.0156264  0.0369576   87  ILE   B C    
1051 O O    . ILE   A 75  ? 0.474945 0.39319  0.335682 -0.0287316  -0.0114911  0.0380968   87  ILE   B O    
1052 C CB   . ILE   A 75  ? 0.510017 0.390736 0.32734  -0.0159047  -0.0285952  0.0232504   87  ILE   B CB   
1053 C CG1  . ILE   A 75  ? 0.450761 0.344438 0.28956  -0.0148017  -0.0285227  0.0191457   87  ILE   B CG1  
1054 C CG2  . ILE   A 75  ? 0.512897 0.377558 0.30421  -0.00999298 -0.0344354  0.0177127   87  ILE   B CG2  
1055 C CD1  . ILE   A 75  ? 0.464146 0.360175 0.310525 -0.0143131  -0.039289   0.0134168   87  ILE   B CD1  
1056 H H    . ILE   A 75  ? 0.480124 0.371433 0.302125 -0.0111422  -0.00610459 0.0250794   87  ILE   B H    
1057 H HA   . ILE   A 75  ? 0.512892 0.386025 0.312648 -0.0209786  -0.0143048  0.0345793   87  ILE   B HA   
1058 H HB   . ILE   A 75  ? 0.488184 0.367676 0.307716 -0.0177088  -0.0343403  0.0243798   87  ILE   B HB   
1059 H HG12 . ILE   A 75  ? 0.471827 0.362335 0.306359 -0.0118738  -0.0241649  0.0165663   87  ILE   B HG12 
1060 H HG13 . ILE   A 75  ? 0.453876 0.357672 0.305826 -0.0171637  -0.025061   0.0232271   87  ILE   B HG13 
1061 H HG21 . ILE   A 75  ? 0.513346 0.379477 0.30877  -0.00838779 -0.0436484  0.012897    87  ILE   B HG21 
1062 H HG22 . ILE   A 75  ? 0.525825 0.38895  0.312099 -0.0077686  -0.029466   0.0148528   87  ILE   B HG22 
1063 H HG23 . ILE   A 75  ? 0.534476 0.388882 0.309568 -0.00982986 -0.0341359  0.0218739   87  ILE   B HG23 
1064 H HD11 . ILE   A 75  ? 0.453345 0.350791 0.301047 -0.0150944  -0.043271   0.0150429   87  ILE   B HD11 
1065 H HD12 . ILE   A 75  ? 0.447294 0.350142 0.306432 -0.0150093  -0.0374459  0.0129869   87  ILE   B HD12 
1066 H HD13 . ILE   A 75  ? 0.467472 0.356968 0.304403 -0.0123138  -0.0438478  0.0086556   87  ILE   B HD13 
1067 N N    . LYS   A 76  ? 0.471119 0.357972 0.302319 -0.0349941  -0.0206329  0.0404135   88  LYS   B N    
1068 C CA   . LYS   A 76  ? 0.532935 0.426911 0.379716 -0.0443812  -0.0242465  0.0428477   88  LYS   B CA   
1069 C C    . LYS   A 76  ? 0.491665 0.402747 0.357571 -0.0410291  -0.0300452  0.0379761   88  LYS   B C    
1070 O O    . LYS   A 76  ? 0.456789 0.386328 0.341249 -0.0463443  -0.0288528  0.0406402   88  LYS   B O    
1071 C CB   . LYS   A 76  ? 0.592613 0.46045  0.421299 -0.0476737  -0.0324613  0.0432085   88  LYS   B CB   
1072 H H    . LYS   A 76  ? 0.511213 0.382513 0.324496 -0.0331611  -0.0225995  0.040884    88  LYS   B H    
1073 H HA   . LYS   A 76  ? 0.524392 0.428086 0.379736 -0.0508599  -0.0171828  0.0478702   88  LYS   B HA   
1076 N N    . ALA   A 77  ? 0.51517  0.423093 0.377858 -0.0325331  -0.0356862  0.0318255   89  ALA   B N    
1077 C CA   . ALA   A 77  ? 0.522992 0.444645 0.400195 -0.0299789  -0.0391834  0.0292357   89  ALA   B CA   
1078 C C    . ALA   A 77  ? 0.436504 0.375499 0.329687 -0.0282052  -0.0328747  0.0324197   89  ALA   B C    
1079 O O    . ALA   A 77  ? 0.415386 0.367393 0.320058 -0.0284777  -0.0351349  0.0343536   89  ALA   B O    
1080 C CB   . ALA   A 77  ? 0.454852 0.372377 0.328304 -0.0234725  -0.0439742  0.0235316   89  ALA   B CB   
1081 H H    . ALA   A 77  ? 0.518526 0.416543 0.36995  -0.0286778  -0.0372773  0.0297153   89  ALA   B H    
1082 H HA   . ALA   A 77  ? 0.491275 0.413343 0.369784 -0.0337128  -0.0430449  0.0294907   89  ALA   B HA   
1083 H HB1  . ALA   A 77  ? 0.479651 0.388752 0.345101 -0.0224798  -0.0486397  0.0216443   89  ALA   B HB1  
1084 H HB2  . ALA   A 77  ? 0.475036 0.389807 0.345458 -0.0211687  -0.0422668  0.0221085   89  ALA   B HB2  
1085 H HB3  . ALA   A 77  ? 0.463737 0.390005 0.345699 -0.0223819  -0.0441111  0.0231683   89  ALA   B HB3  
1086 N N    . TRP   A 78  ? 0.437307 0.376571 0.329735 -0.0252197  -0.0245784  0.0337538   90  TRP   B N    
1087 C CA   . TRP   A 78  ? 0.432796 0.38686  0.339833 -0.0204781  -0.0177579  0.0371261   90  TRP   B CA   
1088 C C    . TRP   A 78  ? 0.460518 0.435555 0.383745 -0.0258251  -0.015299   0.0433818   90  TRP   B C    
1089 O O    . TRP   A 78  ? 0.440447 0.433998 0.380701 -0.0216276  -0.0157238  0.0466775   90  TRP   B O    
1090 C CB   . TRP   A 78  ? 0.451137 0.39562  0.348891 -0.0132744  -0.00893853 0.0344863   90  TRP   B CB   
1091 C CG   . TRP   A 78  ? 0.427868 0.358352 0.320089 -0.00851807 -0.011722   0.0286007   90  TRP   B CG   
1092 C CD1  . TRP   A 78  ? 0.4757   0.39828  0.364869 -0.0113872  -0.0197935  0.0242053   90  TRP   B CD1  
1093 C CD2  . TRP   A 78  ? 0.427046 0.351797 0.320609 -8.726e-05  -0.00490896 0.0274108   90  TRP   B CD2  
1094 N NE1  . TRP   A 78  ? 0.458869 0.370936 0.347703 -0.00872154 -0.0185513  0.0204886   90  TRP   B NE1  
1095 C CE2  . TRP   A 78  ? 0.492361 0.401524 0.381551 -0.00143643 -0.0099575  0.0220927   90  TRP   B CE2  
1096 C CE3  . TRP   A 78  ? 0.474083 0.404831 0.372328 0.0089368   0.00539742  0.0300422   90  TRP   B CE3  
1097 C CZ2  . TRP   A 78  ? 0.465194 0.357793 0.350975 0.00413186  -0.00579947 0.0189842   90  TRP   B CZ2  
1098 C CZ3  . TRP   A 78  ? 0.520804 0.435477 0.41468  0.0182491   0.00966878  0.0266437   90  TRP   B CZ3  
1099 C CH2  . TRP   A 78  ? 0.458837 0.352069 0.345806 0.015001    0.00366379  0.021499    90  TRP   B CH2  
1100 H H    . TRP   A 78  ? 0.448278 0.377348 0.329142 -0.0247355  -0.023167   0.0323634   90  TRP   B H    
1101 H HA   . TRP   A 78  ? 0.432259 0.388881 0.344556 -0.0177807  -0.0208375  0.0368259   90  TRP   B HA   
1102 H HB2  . TRP   A 78  ? 0.453218 0.38935  0.338555 -0.0153816  -0.00757878 0.0334669   90  TRP   B HB2  
1103 H HB3  . TRP   A 78  ? 0.445206 0.400473 0.352012 -0.00967198 -0.00239105 0.0376437   90  TRP   B HB3  
1104 H HD1  . TRP   A 78  ? 0.452985 0.376274 0.340163 -0.0147281  -0.0251276  0.0234569   90  TRP   B HD1  
1105 H HE1  . TRP   A 78  ? 0.468889 0.377024 0.358236 -0.0113242  -0.022362   0.017668    90  TRP   B HE1  
1106 H HE3  . TRP   A 78  ? 0.469012 0.414033 0.373771 0.00887094  0.00966709  0.033984    90  TRP   B HE3  
1107 H HZ2  . TRP   A 78  ? 0.47486  0.357154 0.359653 0.00063807  -0.009177   0.0160007   90  TRP   B HZ2  
1108 H HZ3  . TRP   A 78  ? 0.504437 0.422807 0.401327 0.0268505   0.0171179   0.0281419   90  TRP   B HZ3  
1109 H HH2  . TRP   A 78  ? 0.493493 0.371851 0.376075 0.0203126   0.00672818  0.0190702   90  TRP   B HH2  
1110 N N    . ASP   A 79  ? 0.441949 0.414786 0.360589 -0.0345928  -0.0120662  0.0458789   91  ASP   B N    
1111 C CA   . ASP   A 79  ? 0.460888 0.456014 0.398862 -0.0439156  -0.00953177 0.0518584   91  ASP   B CA   
1112 C C    . ASP   A 79  ? 0.441988 0.445707 0.390141 -0.0497726  -0.0229947  0.050511    91  ASP   B C    
1113 O O    . ASP   A 79  ? 0.470375 0.501479 0.44115  -0.0509374  -0.0254727  0.0536573   91  ASP   B O    
1114 C CB   . ASP   A 79  ? 0.516457 0.501918 0.444542 -0.0548247  -0.00262686 0.0559768   91  ASP   B CB   
1115 C CG   . ASP   A 79  ? 0.465497 0.454812 0.388738 -0.0490613  0.0141268   0.0596043   91  ASP   B CG   
1116 O OD1  . ASP   A 79  ? 0.469453 0.477153 0.406153 -0.0375191  0.0212769   0.0592875   91  ASP   B OD1  
1117 O OD2  . ASP   A 79  ? 0.543844 0.518098 0.449719 -0.0555494  0.020587    0.0634423   91  ASP   B OD2  
1118 H H    . ASP   A 79  ? 0.461287 0.418417 0.364599 -0.0352499  -0.0116044  0.0442111   91  ASP   B H    
1119 H HA   . ASP   A 79  ? 0.459499 0.471473 0.410528 -0.0382953  -0.00310501 0.0543      91  ASP   B HA   
1120 H HB2  . ASP   A 79  ? 0.499198 0.462407 0.408862 -0.0560528  -0.00740007 0.0534659   91  ASP   B HB2  
1121 H HB3  . ASP   A 79  ? 0.493994 0.491416 0.435448 -0.0649595  -0.00429779 0.0591005   91  ASP   B HB3  
1122 N N    . ILE   A 80  ? 0.402906 0.384625 0.33332  -0.0504724  -0.0320505  0.0451352   92  ILE   B N    
1123 C CA   . ILE   A 80  ? 0.4258   0.410562 0.357902 -0.0540324  -0.0443168  0.0420124   92  ILE   B CA   
1124 C C    . ILE   A 80  ? 0.429449 0.427758 0.368165 -0.0431528  -0.0469711  0.0424241   92  ILE   B C    
1125 O O    . ILE   A 80  ? 0.387674 0.404595 0.337636 -0.0450113  -0.0545349  0.0439122   92  ILE   B O    
1126 C CB   . ILE   A 80  ? 0.435021 0.391079 0.344018 -0.0549454  -0.0507745  0.0357557   92  ILE   B CB   
1127 C CG1  . ILE   A 80  ? 0.444834 0.381816 0.343827 -0.0658192  -0.0502538  0.03682     92  ILE   B CG1  
1128 C CG2  . ILE   A 80  ? 0.432837 0.387908 0.336577 -0.0549527  -0.061774   0.0304997   92  ILE   B CG2  
1129 C CD1  . ILE   A 80  ? 0.539179 0.445056 0.413391 -0.0603928  -0.0546594  0.0316547   92  ILE   B CD1  
1130 H H    . ILE   A 80  ? 0.422216 0.387363 0.338495 -0.047902   -0.0307291  0.0430192   92  ILE   B H    
1131 H HA   . ILE   A 80  ? 0.428385 0.42391  0.370806 -0.0627703  -0.0468899  0.0437689   92  ILE   B HA   
1132 H HB   . ILE   A 80  ? 0.428468 0.377056 0.330237 -0.0474056  -0.0479452  0.0343276   92  ILE   B HB   
1133 H HG12 . ILE   A 80  ? 0.47098  0.411825 0.375921 -0.0752812  -0.0548646  0.0368422   92  ILE   B HG12 
1134 H HG13 . ILE   A 80  ? 0.464154 0.404436 0.366193 -0.0668692  -0.0423342  0.0412214   92  ILE   B HG13 
1135 H HG21 . ILE   A 80  ? 0.444345 0.381288 0.333689 -0.0538631  -0.064537   0.0262426   92  ILE   B HG21 
1136 H HG22 . ILE   A 80  ? 0.440778 0.403817 0.351645 -0.0630002  -0.0664575  0.0309208   92  ILE   B HG22 
1137 H HG23 . ILE   A 80  ? 0.42568  0.389806 0.332194 -0.0476275  -0.0613895  0.0308948   92  ILE   B HG23 
1138 H HD11 . ILE   A 80  ? 0.503536 0.410288 0.37507  -0.051147   -0.0526245  0.0303055   92  ILE   B HD11 
1139 H HD12 . ILE   A 80  ? 0.527867 0.418878 0.393284 -0.0651669  -0.0525812  0.034253    92  ILE   B HD12 
1140 H HD13 . ILE   A 80  ? 0.518231 0.418105 0.38765  -0.0609029  -0.0616172  0.02718     92  ILE   B HD13 
1141 N N    . GLY   A 81  ? 0.410397 0.398518 0.341282 -0.0331662  -0.0419439  0.0414628   93  GLY   B N    
1142 C CA   . GLY   A 81  ? 0.431115 0.423452 0.363081 -0.0239741  -0.0428324  0.0432286   93  GLY   B CA   
1143 C C    . GLY   A 81  ? 0.396967 0.407974 0.344944 -0.0167661  -0.0399028  0.0497969   93  GLY   B C    
1144 O O    . GLY   A 81  ? 0.37183  0.393569 0.3227   -0.0124022  -0.0460716  0.053376    93  GLY   B O    
1145 H H    . GLY   A 81  ? 0.420649 0.397588 0.344411 -0.0327295  -0.0379473  0.0399271   93  GLY   B H    
1146 H HA2  . GLY   A 81  ? 0.420031 0.412477 0.346841 -0.025262   -0.0491532  0.0418015   93  GLY   B HA2  
1147 H HA3  . GLY   A 81  ? 0.416426 0.397468 0.341859 -0.0205822  -0.0392062  0.0415143   93  GLY   B HA3  
1148 N N    . VAL   A 82  ? 0.384773 0.398919 0.340679 -0.0132071  -0.0302954  0.0514624   94  VAL   B N    
1149 C CA   . VAL   A 82  ? 0.377238 0.408342 0.348643 -0.00257586 -0.0260092  0.0571607   94  VAL   B CA   
1150 C C    . VAL   A 82  ? 0.403162 0.466843 0.395803 -0.00614028 -0.0333236  0.0613623   94  VAL   B C    
1151 O O    . VAL   A 82  ? 0.407496 0.488146 0.412186 0.00478956  -0.035898   0.0667928   94  VAL   B O    
1152 C CB   . VAL   A 82  ? 0.377857 0.403462 0.349548 0.00385597  -0.012536   0.0562058   94  VAL   B CB   
1153 C CG1  . VAL   A 82  ? 0.422161 0.466833 0.411376 0.0182773   -0.0066668  0.0616953   94  VAL   B CG1  
1154 C CG2  . VAL   A 82  ? 0.388119 0.38164  0.338786 0.00632103  -0.00932826 0.0505064   94  VAL   B CG2  
1155 H H    . VAL   A 82  ? 0.387097 0.392048 0.337015 -0.0163785  -0.0263485  0.0488678   94  VAL   B H    
1156 H HA   . VAL   A 82  ? 0.385801 0.41013  0.352655 0.00412113  -0.0273851  0.058903    94  VAL   B HA   
1157 H HB   . VAL   A 82  ? 0.386532 0.416627 0.359544 -0.00334983 -0.00994627 0.055279    94  VAL   B HB   
1158 H HG11 . VAL   A 82  ? 0.411741 0.455884 0.401627 0.0244514   -0.0116043  0.0646626   94  VAL   B HG11 
1159 H HG12 . VAL   A 82  ? 0.407101 0.475642 0.412515 0.0153434   -0.00658747 0.0643678   94  VAL   B HG12 
1160 H HG13 . VAL   A 82  ? 0.419112 0.452566 0.402304 0.0249588   0.00199751  0.0596598   94  VAL   B HG13 
1161 H HG21 . VAL   A 82  ? 0.395516 0.383386 0.343261 0.0114622   -0.00176538 0.0488747   94  VAL   B HG21 
1162 H HG22 . VAL   A 82  ? 0.384329 0.369458 0.326096 -0.00140194 -0.0125896  0.0470186   94  VAL   B HG22 
1163 H HG23 . VAL   A 82  ? 0.388735 0.37591  0.337605 0.0105111   -0.0117793  0.0519645   94  VAL   B HG23 
1164 N N    . ALA   A 83  ? 0.353904 0.424875 0.350777 -0.0216304  -0.0378616  0.0589449   95  ALA   B N    
1165 C CA   . ALA   A 83  ? 0.366279 0.467332 0.384175 -0.0300728  -0.0474385  0.0610245   95  ALA   B CA   
1166 C C    . ALA   A 83  ? 0.404365 0.510299 0.416792 -0.0262764  -0.0629731  0.0607544   95  ALA   B C    
1167 O O    . ALA   A 83  ? 0.366913 0.504052 0.39954  -0.0281475  -0.0732407  0.0632521   95  ALA   B O    
1168 C CB   . ALA   A 83  ? 0.352971 0.449792 0.370886 -0.0504271  -0.0493886  0.0577911   95  ALA   B CB   
1169 H H    . ALA   A 83  ? 0.368485 0.423409 0.354097 -0.0275513  -0.0352864  0.0557612   95  ALA   B H    
1170 H HA   . ALA   A 83  ? 0.365211 0.488327 0.402143 -0.024491   -0.042462   0.0653396   95  ALA   B HA   
1171 H HB1  . ALA   A 83  ? 0.359911 0.453599 0.378955 -0.0520739  -0.0388323  0.0593654   95  ALA   B HB1  
1172 H HB2  . ALA   A 83  ? 0.362182 0.436883 0.361322 -0.05413    -0.0544219  0.0532391   95  ALA   B HB2  
1173 H HB3  . ALA   A 83  ? 0.361325 0.479765 0.396044 -0.0578452  -0.0561293  0.058856    95  ALA   B HB3  
1174 N N    . THR   A 84  ? 0.404357 0.483051 0.39075  -0.0215742  -0.0646547  0.0579382   96  THR   B N    
1175 C CA   . THR   A 84  ? 0.449629 0.529101 0.423483 -0.0164884  -0.0765905  0.0585226   96  THR   B CA   
1176 C C    . THR   A 84  ? 0.426098 0.508642 0.399672 0.00148782  -0.0737571  0.0673417   96  THR   B C    
1177 O O    . THR   A 84  ? 0.431888 0.515387 0.39262  0.0081574   -0.0826435  0.0707289   96  THR   B O    
1178 C CB   . THR   A 84  ? 0.431154 0.481809 0.376843 -0.0198353  -0.077366   0.0520009   96  THR   B CB   
1179 O OG1  . THR   A 84  ? 0.414015 0.446355 0.350576 -0.0113063  -0.0655886  0.0544668   96  THR   B OG1  
1180 C CG2  . THR   A 84  ? 0.448982 0.487586 0.388693 -0.034231   -0.0806333  0.0434336   96  THR   B CG2  
1181 H H    . THR   A 84  ? 0.409351 0.469404 0.384979 -0.0216275  -0.0580213  0.0557025   96  THR   B H    
1182 H HA   . THR   A 84  ? 0.43735  0.533563 0.41952  -0.0221989  -0.0865284  0.0574959   96  THR   B HA   
1183 H HB   . THR   A 84  ? 0.445187 0.498611 0.381526 -0.0172988  -0.0853771  0.05209     96  THR   B HB   
1185 H HG21 . THR   A 84  ? 0.449626 0.471996 0.371842 -0.0332666  -0.0814499  0.0392562   96  THR   B HG21 
1186 H HG22 . THR   A 84  ? 0.437752 0.472274 0.383568 -0.0370672  -0.0731882  0.0437691   96  THR   B HG22 
1187 H HG23 . THR   A 84  ? 0.451172 0.501406 0.397508 -0.0413197  -0.0893931  0.0418558   96  THR   B HG23 
1188 N N    . MET   A 85  ? 0.409937 0.487785 0.39161  0.0106533   -0.0610346  0.071276    97  MET   B N    
1189 C CA   . MET   A 85  ? 0.463003 0.530042 0.437898 0.027063    -0.0566984  0.0790873   97  MET   B CA   
1190 C C    . MET   A 85  ? 0.476848 0.572414 0.471952 0.0415258   -0.0617044  0.0872952   97  MET   B C    
1191 O O    . MET   A 85  ? 0.398821 0.52416  0.42035  0.0402317   -0.0617306  0.0866659   97  MET   B O    
1192 C CB   . MET   A 85  ? 0.470499 0.511641 0.439949 0.029756    -0.0418446  0.0770627   97  MET   B CB   
1193 C CG   . MET   A 85  ? 0.44617  0.46362  0.398163 0.0177069   -0.0391144  0.0697038   97  MET   B CG   
1194 S SD   . MET   A 85  ? 0.473929 0.463004 0.419633 0.0209301   -0.0259872  0.0668594   97  MET   B SD   
1195 C CE   . MET   A 85  ? 0.495238 0.463825 0.432005 0.0334118   -0.022387   0.0763282   97  MET   B CE   
1196 H H    . MET   A 85  ? 0.415811 0.494735 0.405422 0.00671807  -0.0546801  0.0690118   97  MET   B H    
1197 H HA   . MET   A 85  ? 0.46339  0.519963 0.422249 0.0273605   -0.0606926  0.0803539   97  MET   B HA   
1198 H HB2  . MET   A 85  ? 0.459725 0.509923 0.441395 0.0298713   -0.0370324  0.0753188   97  MET   B HB2  
1199 H HB3  . MET   A 85  ? 0.47577  0.506545 0.440669 0.0399345   -0.0388906  0.0822514   97  MET   B HB3  
1200 H HG2  . MET   A 85  ? 0.459201 0.470885 0.400247 0.0172861   -0.0426498  0.0712757   97  MET   B HG2  
1201 H HG3  . MET   A 85  ? 0.445911 0.469282 0.400677 0.00912363  -0.0412487  0.0648222   97  MET   B HG3  
1202 H HE1  . MET   A 85  ? 0.502168 0.452382 0.435079 0.0337809   -0.0161589  0.0737685   97  MET   B HE1  
1203 H HE2  . MET   A 85  ? 0.501854 0.480491 0.445214 0.0432632   -0.0239399  0.0817695   97  MET   B HE2  
1204 H HE3  . MET   A 85  ? 0.497817 0.462567 0.426042 0.0300707   -0.0250284  0.0787873   97  MET   B HE3  
1205 N N    . LYS   A 86  ? 0.45876  0.547282 0.442274 0.0565298   -0.0658297  0.0963836   98  LYS   B N    
1206 C CA   . LYS   A 86  ? 0.459471 0.572539 0.460764 0.0753807   -0.0708703  0.105437    98  LYS   B CA   
1207 C C    . LYS   A 86  ? 0.433532 0.522887 0.433809 0.0914268   -0.0554906  0.109552    98  LYS   B C    
1208 O O    . LYS   A 86  ? 0.514469 0.565444 0.494375 0.0870183   -0.0451795  0.107127    98  LYS   B O    
1209 C CB   . LYS   A 86  ? 0.435506 0.554638 0.421688 0.084042    -0.0869053  0.113576    98  LYS   B CB   
1210 H H    . LYS   A 86  ? 0.471499 0.539923 0.435731 0.055681    -0.0651453  0.0975885   98  LYS   B H    
1211 H HA   . LYS   A 86  ? 0.436142 0.57811  0.460158 0.0717209   -0.0739527  0.102837    98  LYS   B HA   
1214 N N    . LYS   A 87  ? 0.468082 0.578932 0.489309 0.110991    -0.0547911  0.115508    99  LYS   B N    
1215 C CA   . LYS   A 87  ? 0.529371 0.612875 0.545392 0.130664    -0.041485   0.119284    99  LYS   B CA   
1216 C C    . LYS   A 87  ? 0.531328 0.568055 0.514421 0.137523    -0.040708   0.127423    99  LYS   B C    
1217 O O    . LYS   A 87  ? 0.548663 0.590139 0.521381 0.143286    -0.0527525  0.13696     99  LYS   B O    
1218 C CB   . LYS   A 87  ? 0.543789 0.661407 0.588195 0.154871    -0.0418683  0.12516     99  LYS   B CB   
1219 C CG   . LYS   A 87  ? 0.614424 0.703548 0.654843 0.176058    -0.0249921  0.124998    99  LYS   B CG   
1220 C CD   . LYS   A 87  ? 0.66927  0.794857 0.739158 0.205209    -0.0243974  0.131291    99  LYS   B CD   
1221 C CE   . LYS   A 87  ? 0.696751 0.790202 0.758768 0.226297    -0.00618226 0.128187    99  LYS   B CE   
1222 N NZ   . LYS   A 87  ? 0.781325 0.898685 0.864247 0.261384    -0.00628539 0.136623    99  LYS   B NZ   
1223 H H    . LYS   A 87  ? 0.466784 0.610569 0.506611 0.11259     -0.0631362  0.116825    99  LYS   B H    
1224 H HA   . LYS   A 87  ? 0.508509 0.579412 0.523339 0.123465    -0.0310745  0.111969    99  LYS   B HA   
1225 H HB2  . LYS   A 87  ? 0.534826 0.687246 0.602583 0.147782    -0.0430053  0.121162    99  LYS   B HB2  
1226 H HB3  . LYS   A 87  ? 0.565272 0.691801 0.608597 0.165173    -0.0526819  0.133247    99  LYS   B HB3  
1227 H HG2  . LYS   A 87  ? 0.631342 0.682294 0.648124 0.180638    -0.0237486  0.128779    99  LYS   B HG2  
1228 H HG3  . LYS   A 87  ? 0.601166 0.682942 0.641148 0.166337    -0.0150078  0.116496    99  LYS   B HG3  
1229 H HD2  . LYS   A 87  ? 0.640309 0.808035 0.736817 0.198975    -0.0257884  0.128444    99  LYS   B HD2  
1230 H HD3  . LYS   A 87  ? 0.674365 0.804183 0.742183 0.21712     -0.0351631  0.140339    99  LYS   B HD3  
1231 H HE2  . LYS   A 87  ? 0.727077 0.77404  0.761387 0.225409    -0.00360408 0.128451    99  LYS   B HE2  
1232 H HE3  . LYS   A 87  ? 0.69721  0.797325 0.765817 0.217915    0.00387013  0.119707    99  LYS   B HE3  
1233 H HZ1  . LYS   A 87  ? 0.777987 0.886017 0.851886 0.270651    -0.015887   0.145263    99  LYS   B HZ1  
1234 H HZ2  . LYS   A 87  ? 0.746048 0.910456 0.858087 0.261674    -0.0086615  0.136569    99  LYS   B HZ2  
1235 H HZ3  . LYS   A 87  ? 0.781302 0.875842 0.856856 0.274296    0.00558265  0.133364    99  LYS   B HZ3  
1236 N N    . GLY   A 88  ? 0.51079  0.50276  0.476434 0.134351    -0.026974   0.123274    100 GLY   B N    
1237 C CA   . GLY   A 88  ? 0.562042 0.505815 0.498724 0.136845    -0.0232426  0.131093    100 GLY   B CA   
1238 C C    . GLY   A 88  ? 0.545325 0.474723 0.464189 0.113686    -0.0239106  0.128905    100 GLY   B C    
1239 O O    . GLY   A 88  ? 0.624424 0.514787 0.521928 0.110482    -0.0178217  0.1348      100 GLY   B O    
1240 H H    . GLY   A 88  ? 0.513084 0.504599 0.485004 0.129496    -0.0198201  0.115286    100 GLY   B H    
1241 H HA2  . GLY   A 88  ? 0.569658 0.487303 0.50171  0.141054    -0.0140862  0.128086    100 GLY   B HA2  
1242 H HA3  . GLY   A 88  ? 0.575301 0.52026  0.507882 0.150994    -0.0288184  0.141515    100 GLY   B HA3  
1243 N N    . GLU   A 89  ? 0.535366 0.495762 0.463602 0.0978974   -0.030503   0.120855    101 GLU   B N    
1244 C CA   . GLU   A 89  ? 0.543051 0.495501 0.457592 0.0782263   -0.0304735  0.11643     101 GLU   B CA   
1245 C C    . GLU   A 89  ? 0.56649  0.490471 0.476513 0.0655148   -0.0191411  0.108128    101 GLU   B C    
1246 O O    . GLU   A 89  ? 0.531221 0.453471 0.45145  0.0644535   -0.0141154  0.0988498   101 GLU   B O    
1247 C CB   . GLU   A 89  ? 0.51055  0.497103 0.435758 0.0666016   -0.0398806  0.107909    101 GLU   B CB   
1248 C CG   . GLU   A 89  ? 0.566511 0.548108 0.47519  0.0522247   -0.0417757  0.104321    101 GLU   B CG   
1249 C CD   . GLU   A 89  ? 0.545425 0.553793 0.461943 0.0424115   -0.0519897  0.0951599   101 GLU   B CD   
1250 O OE1  . GLU   A 89  ? 0.461398 0.494014 0.386584 0.0492301   -0.0630938  0.098578    101 GLU   B OE1  
1251 O OE2  . GLU   A 89  ? 0.497636 0.502117 0.412439 0.0288162   -0.0497281  0.0849875   101 GLU   B OE2  
1252 H H    . GLU   A 89  ? 0.52081  0.508272 0.465131 0.0999016   -0.0348433  0.11801     101 GLU   B H    
1253 H HA   . GLU   A 89  ? 0.559736 0.502764 0.45951  0.0809976   -0.0322999  0.124753    101 GLU   B HA   
1254 H HB2  . GLU   A 89  ? 0.526943 0.534188 0.458527 0.0738595   -0.0483633  0.111799    101 GLU   B HB2  
1255 H HB3  . GLU   A 89  ? 0.509983 0.502455 0.44707  0.0618111   -0.0365999  0.100476    101 GLU   B HB3  
1256 H HG2  . GLU   A 89  ? 0.547137 0.512813 0.453014 0.0448388   -0.0341663  0.100246    101 GLU   B HG2  
1257 H HG3  . GLU   A 89  ? 0.568125 0.54379  0.462617 0.0569591   -0.0437391  0.112041    101 GLU   B HG3  
1258 N N    . ILE   A 90  ? 0.530886 0.435303 0.425267 0.0553225   -0.0153532  0.111386    102 ILE   B N    
1259 C CA   . ILE   A 90  ? 0.51635  0.406117 0.411697 0.0391403   -0.00848145 0.101481    102 ILE   B CA   
1260 C C    . ILE   A 90  ? 0.531872 0.441333 0.426132 0.0268481   -0.0120709  0.0966274   102 ILE   B C    
1261 O O    . ILE   A 90  ? 0.511776 0.426132 0.393782 0.027761    -0.0136823  0.104396    102 ILE   B O    
1262 C CB   . ILE   A 90  ? 0.550583 0.403083 0.434682 0.0352283   0.0006267   0.107945    102 ILE   B CB   
1263 C CG1  . ILE   A 90  ? 0.577567 0.402786 0.458368 0.0497649   0.00408657  0.111912    102 ILE   B CG1  
1264 C CG2  . ILE   A 90  ? 0.602205 0.445811 0.491144 0.0162439   0.00530702  0.0975939   102 ILE   B CG2  
1265 C CD1  . ILE   A 90  ? 0.605726 0.387245 0.472649 0.0440975   0.0125627   0.119538    102 ILE   B CD1  
1266 H H    . ILE   A 90  ? 0.553339 0.455261 0.437098 0.0585201   -0.0169828  0.11982     102 ILE   B H    
1267 H HA   . ILE   A 90  ? 0.51541  0.406936 0.418938 0.0390203   -0.00779751 0.0937196   102 ILE   B HA   
1268 H HB   . ILE   A 90  ? 0.571233 0.422257 0.445736 0.035978    0.00115241  0.117269    102 ILE   B HB   
1269 H HG12 . ILE   A 90  ? 0.567358 0.393103 0.455278 0.0500235   0.00466735  0.10238     102 ILE   B HG12 
1270 H HG13 . ILE   A 90  ? 0.581001 0.415584 0.460945 0.0631861   0.00028527  0.119039    102 ILE   B HG13 
1271 H HG21 . ILE   A 90  ? 0.60311  0.427047 0.486415 0.0109258   0.0107413   0.103082    102 ILE   B HG21 
1272 H HG22 . ILE   A 90  ? 0.579829 0.418175 0.473683 0.0160839   0.00508513  0.0891282   102 ILE   B HG22 
1273 H HG23 . ILE   A 90  ? 0.564191 0.427162 0.456636 0.00988015  0.00286024  0.0939619   102 ILE   B HG23 
1274 H HD11 . ILE   A 90  ? 0.616277 0.398617 0.475579 0.0408248   0.0136935   0.128802    102 ILE   B HD11 
1275 H HD12 . ILE   A 90  ? 0.633031 0.394357 0.494319 0.0564845   0.0141187   0.123914    102 ILE   B HD12 
1276 H HD13 . ILE   A 90  ? 0.606825 0.378824 0.477413 0.0314102   0.0153754   0.111016    102 ILE   B HD13 
1277 N N    . ALA   A 91  ? 0.470023 0.38794  0.373765 0.0173244   -0.0129321  0.0838139   103 ALA   B N    
1278 C CA   . ALA   A 91  ? 0.48997  0.423189 0.392631 0.00824461  -0.0162489  0.0777228   103 ALA   B CA   
1279 C C    . ALA   A 91  ? 0.447313 0.373073 0.355437 -0.00279748 -0.0122559  0.0686561   103 ALA   B C    
1280 O O    . ALA   A 91  ? 0.482803 0.395483 0.395593 -0.00418963 -0.0102633  0.0633633   103 ALA   B O    
1281 C CB   . ALA   A 91  ? 0.501767 0.456713 0.40957  0.00972796  -0.0253086  0.0723841   103 ALA   B CB   
1282 H H    . ALA   A 91  ? 0.484808 0.397329 0.39376  0.0178078   -0.0113529  0.0790028   103 ALA   B H    
1283 H HA   . ALA   A 91  ? 0.48896  0.422527 0.383041 0.00866133  -0.0152568  0.0834982   103 ALA   B HA   
1284 H HB1  . ALA   A 91  ? 0.499168 0.461699 0.405487 0.0160226   -0.0293203  0.0778518   103 ALA   B HB1  
1285 H HB2  . ALA   A 91  ? 0.486517 0.441649 0.401807 0.00936241  -0.0247161  0.0680858   103 ALA   B HB2  
1286 H HB3  . ALA   A 91  ? 0.486288 0.446824 0.390898 0.0046637   -0.027664   0.0678786   103 ALA   B HB3  
1287 N N    . HIS   A 92  ? 0.430618 0.366525 0.337197 -0.00868963 -0.012198   0.0659896   104 HIS   B N    
1288 C CA   . HIS   A 92  ? 0.434908 0.374253 0.349498 -0.0172435  -0.0115485  0.0568561   104 HIS   B CA   
1289 C C    . HIS   A 92  ? 0.426252 0.37868  0.339907 -0.0159386  -0.01897    0.0482822   104 HIS   B C    
1290 O O    . HIS   A 92  ? 0.429713 0.390666 0.335317 -0.0123768  -0.0220292  0.0490522   104 HIS   B O    
1291 C CB   . HIS   A 92  ? 0.43961  0.382501 0.356503 -0.0234635  -0.00381164 0.0609762   104 HIS   B CB   
1292 C CG   . HIS   A 92  ? 0.525573 0.450256 0.444791 -0.0293553  0.00391948  0.0684953   104 HIS   B CG   
1293 N ND1  . HIS   A 92  ? 0.503288 0.430183 0.426417 -0.0378251  0.013612    0.0750231   104 HIS   B ND1  
1294 C CD2  . HIS   A 92  ? 0.523504 0.424834 0.441639 -0.0289421  0.00439913  0.0700299   104 HIS   B CD2  
1295 C CE1  . HIS   A 92  ? 0.526949 0.429664 0.451247 -0.044642   0.0189092   0.0809005   104 HIS   B CE1  
1296 N NE2  . HIS   A 92  ? 0.552825 0.437751 0.472911 -0.0383188  0.0127504   0.0768486   104 HIS   B NE2  
1297 H H    . HIS   A 92  ? 0.440204 0.382367 0.339828 -0.00597608 -0.0129181  0.0700304   104 HIS   B H    
1298 H HA   . HIS   A 92  ? 0.435636 0.365525 0.354707 -0.0197224  -0.0112512  0.0535566   104 HIS   B HA   
1299 H HB2  . HIS   A 92  ? 0.458307 0.407785 0.366799 -0.0195384  -0.0027115  0.0652223   104 HIS   B HB2  
1300 H HB3  . HIS   A 92  ? 0.446787 0.398279 0.371493 -0.0275022  -0.00485528 0.0543228   104 HIS   B HB3  
1302 H HD2  . HIS   A 92  ? 0.523062 0.419649 0.439556 -0.0235565  0.00043477  0.0666384   104 HIS   B HD2  
1303 H HE1  . HIS   A 92  ? 0.547552 0.445641 0.47483  -0.05271    0.0264972   0.0869672   104 HIS   B HE1  
1305 N N    . LEU   A 93  ? 0.408624 0.358958 0.32723  -0.0188262  -0.0224954  0.0397295   105 LEU   B N    
1306 C CA   . LEU   A 93  ? 0.407825 0.363717 0.322895 -0.0176652  -0.0290026  0.0329039   105 LEU   B CA   
1307 C C    . LEU   A 93  ? 0.419302 0.379075 0.34014  -0.0200999  -0.0307966  0.0259226   105 LEU   B C    
1308 O O    . LEU   A 93  ? 0.448714 0.404676 0.376575 -0.0245561  -0.0304338  0.0231888   105 LEU   B O    
1309 C CB   . LEU   A 93  ? 0.39797  0.347955 0.310092 -0.0169499  -0.0321672  0.030851    105 LEU   B CB   
1310 C CG   . LEU   A 93  ? 0.398164 0.351799 0.310943 -0.0140968  -0.0316578  0.0367913   105 LEU   B CG   
1311 C CD1  . LEU   A 93  ? 0.441832 0.394366 0.355137 -0.0144859  -0.0314035  0.0353465   105 LEU   B CD1  
1312 C CD2  . LEU   A 93  ? 0.412447 0.375718 0.321131 -0.0133833  -0.0365842  0.0390413   105 LEU   B CD2  
1313 H H    . LEU   A 93  ? 0.416411 0.359118 0.338546 -0.021382   -0.021013   0.0383086   105 LEU   B H    
1314 H HA   . LEU   A 93  ? 0.407946 0.368983 0.318026 -0.0154468  -0.0303093  0.0340883   105 LEU   B HA   
1315 H HB2  . LEU   A 93  ? 0.402511 0.346    0.316137 -0.0180919  -0.0307666  0.0286961   105 LEU   B HB2  
1316 H HB3  . LEU   A 93  ? 0.398053 0.348395 0.306224 -0.0171878  -0.0360517  0.0271756   105 LEU   B HB3  
1317 H HG   . LEU   A 93  ? 0.413263 0.364143 0.328663 -0.0118529  -0.0279517  0.0407839   105 LEU   B HG   
1318 H HD11 . LEU   A 93  ? 0.431519 0.376466 0.34384  -0.013769   -0.0283688  0.0333058   105 LEU   B HD11 
1319 H HD12 . LEU   A 93  ? 0.427799 0.387533 0.345869 -0.012487   -0.0307183  0.0394064   105 LEU   B HD12 
1320 H HD13 . LEU   A 93  ? 0.426864 0.378858 0.336052 -0.0172421  -0.0347242  0.0325296   105 LEU   B HD13 
1321 H HD21 . LEU   A 93  ? 0.411772 0.375989 0.317958 -0.0118271  -0.034917   0.0413821   105 LEU   B HD21 
1322 H HD22 . LEU   A 93  ? 0.407698 0.369871 0.312104 -0.0154628  -0.0401636  0.0346523   105 LEU   B HD22 
1323 H HD23 . LEU   A 93  ? 0.409175 0.378116 0.321048 -0.0121832  -0.0379688  0.0423584   105 LEU   B HD23 
1324 N N    . LEU   A 94  ? 0.417195 0.384165 0.3344   -0.0162285  -0.0339713  0.0222865   106 LEU   B N    
1325 C CA   . LEU   A 94  ? 0.463387 0.436588 0.386393 -0.0145834  -0.0381167  0.015409    106 LEU   B CA   
1326 C C    . LEU   A 94  ? 0.41544  0.37838  0.325028 -0.00941103 -0.0455895  0.0114843   106 LEU   B C    
1327 O O    . LEU   A 94  ? 0.434604 0.392319 0.333423 -0.00687721 -0.0463857  0.0122515   106 LEU   B O    
1328 C CB   . LEU   A 94  ? 0.440059 0.431302 0.372159 -0.0118191  -0.0330739  0.0150745   106 LEU   B CB   
1329 C CG   . LEU   A 94  ? 0.464512 0.4708   0.410598 -0.00890057 -0.0374483  0.00839781  106 LEU   B CG   
1330 C CD1  . LEU   A 94  ? 0.436723 0.448177 0.399845 -0.0193761  -0.0387364  0.00730211  106 LEU   B CD1  
1331 C CD2  . LEU   A 94  ? 0.439348 0.467207 0.394395 -0.00250811 -0.0306815  0.00779671  106 LEU   B CD2  
1332 H H    . LEU   A 94  ? 0.428545 0.396175 0.338991 -0.0136634  -0.0342477  0.023689    106 LEU   B H    
1333 H HA   . LEU   A 94  ? 0.438974 0.410802 0.36805  -0.0183989  -0.0391595  0.0138334   106 LEU   B HA   
1334 H HB2  . LEU   A 94  ? 0.451978 0.447083 0.390355 -0.016536   -0.0268365  0.0196189   106 LEU   B HB2  
1335 H HB3  . LEU   A 94  ? 0.454468 0.444521 0.376779 -0.00666203 -0.0327676  0.0149826   106 LEU   B HB3  
1336 H HG   . LEU   A 94  ? 0.451428 0.449729 0.388994 -0.00388394 -0.0443712  0.00482275  106 LEU   B HG   
1337 H HD11 . LEU   A 94  ? 0.445258 0.442571 0.400168 -0.0210689  -0.0431973  0.00609765  106 LEU   B HD11 
1338 H HD12 . LEU   A 94  ? 0.444468 0.470442 0.419602 -0.0180015  -0.0423524  0.00315585  106 LEU   B HD12 
1339 H HD13 . LEU   A 94  ? 0.445439 0.459135 0.414785 -0.0256051  -0.0316406  0.0118073   106 LEU   B HD13 
1340 H HD21 . LEU   A 94  ? 0.452428 0.473679 0.393607 0.0046394   -0.03074    0.00685033  106 LEU   B HD21 
1341 H HD22 . LEU   A 94  ? 0.447944 0.48311  0.409921 -0.00803239 -0.0226733  0.0125103   106 LEU   B HD22 
1342 H HD23 . LEU   A 94  ? 0.447169 0.488114 0.414273 0.00040712  -0.0340501  0.0036603   106 LEU   B HD23 
1343 N N    . ILE   A 95  ? 0.411289 0.368906 0.319073 -0.00836224 -0.0518893  0.0072876   107 ILE   B N    
1344 C CA   . ILE   A 95  ? 0.438182 0.378779 0.32919  -0.00599055 -0.0570321  0.00691572  107 ILE   B CA   
1345 C C    . ILE   A 95  ? 0.440049 0.37961  0.327076 0.00205465  -0.0650237  0.00223128  107 ILE   B C    
1346 O O    . ILE   A 95  ? 0.468238 0.416714 0.363424 0.00212583  -0.0689718  -0.00102388 107 ILE   B O    
1347 C CB   . ILE   A 95  ? 0.437992 0.368989 0.323655 -0.0112007  -0.0549208  0.00927047  107 ILE   B CB   
1348 C CG1  . ILE   A 95  ? 0.450016 0.385424 0.342989 -0.0156817  -0.0473058  0.014511    107 ILE   B CG1  
1349 C CG2  . ILE   A 95  ? 0.478409 0.39251  0.346004 -0.0102727  -0.0575778  0.0109348   107 ILE   B CG2  
1350 C CD1  . ILE   A 95  ? 0.441364 0.371017 0.333827 -0.0177236  -0.0427183  0.0156392   107 ILE   B CD1  
1351 H H    . ILE   A 95  ? 0.416675 0.381147 0.333091 -0.00968677 -0.0530037  0.00506211  107 ILE   B H    
1352 H HA   . ILE   A 95  ? 0.434651 0.370581 0.319749 -0.00566054 -0.0563271  0.00843013  107 ILE   B HA   
1353 H HB   . ILE   A 95  ? 0.448405 0.38143  0.337311 -0.0116833  -0.0565089  0.00648352  107 ILE   B HB   
1354 H HG12 . ILE   A 95  ? 0.443149 0.376895 0.332352 -0.0162406  -0.047249   0.0168817   107 ILE   B HG12 
1355 H HG13 . ILE   A 95  ? 0.437586 0.381043 0.338649 -0.0158217  -0.0454416  0.0149033   107 ILE   B HG13 
1356 H HG21 . ILE   A 95  ? 0.471529 0.382146 0.336368 -0.0134339  -0.0536298  0.0133102   107 ILE   B HG21 
1357 H HG22 . ILE   A 95  ? 0.472051 0.382627 0.336548 -0.0104547  -0.0579654  0.0123417   107 ILE   B HG22 
1358 H HG23 . ILE   A 95  ? 0.478575 0.388212 0.339629 -0.0062576  -0.0626948  0.00844381  107 ILE   B HG23 
1359 H HD11 . ILE   A 95  ? 0.448108 0.376293 0.342057 -0.0181979  -0.0441328  0.0120038   107 ILE   B HD11 
1360 H HD12 . ILE   A 95  ? 0.441031 0.374147 0.339218 -0.0182505  -0.038536   0.0192226   107 ILE   B HD12 
1361 H HD13 . ILE   A 95  ? 0.45056  0.373964 0.33461  -0.0175364  -0.0424744  0.016311    107 ILE   B HD13 
1362 N N    . LYS   A 96  ? 0.443147 0.371046 0.317513 0.00928778  -0.0685022  0.00141793  108 LYS   B N    
1363 C CA   . LYS   A 96  ? 0.444627 0.365845 0.310587 0.0204223   -0.0774874  -0.0015943  108 LYS   B CA   
1364 C C    . LYS   A 96  ? 0.478291 0.378525 0.324978 0.018252    -0.0815462  0.00174632  108 LYS   B C    
1365 O O    . LYS   A 96  ? 0.492913 0.381843 0.331739 0.00905038  -0.0759584  0.00631077  108 LYS   B O    
1366 C CB   . LYS   A 96  ? 0.521113 0.42685  0.373817 0.0300558   -0.0792918  -0.00326189 108 LYS   B CB   
1367 C CG   . LYS   A 96  ? 0.544573 0.468842 0.409444 0.0367719   -0.074438   -0.00763712 108 LYS   B CG   
1368 C CD   . LYS   A 96  ? 0.595833 0.497128 0.440958 0.0485429   -0.077033   -0.0115737  108 LYS   B CD   
1369 C CE   . LYS   A 96  ? 0.697373 0.609511 0.544314 0.0565466   -0.0705184  -0.016979   108 LYS   B CE   
1370 N NZ   . LYS   A 96  ? 0.686989 0.566818 0.508928 0.0685361   -0.0752952  -0.0221983  108 LYS   B NZ   
1371 H H    . LYS   A 96  ? 0.443713 0.3663   0.313489 0.00799399  -0.0661881  0.00251779  108 LYS   B H    
1372 H HA   . LYS   A 96  ? 0.456049 0.394903 0.335649 0.0236055   -0.0796175  -0.00456773 108 LYS   B HA   
1373 H HB2  . LYS   A 96  ? 0.51809  0.407577 0.359647 0.0240254   -0.0775694  -0.00069939 108 LYS   B HB2  
1374 H HB3  . LYS   A 96  ? 0.527287 0.424016 0.371522 0.0386006   -0.0854446  -0.00404716 108 LYS   B HB3  
1375 H HG2  . LYS   A 96  ? 0.537973 0.482067 0.417561 0.0416418   -0.0750723  -0.00966786 108 LYS   B HG2  
1376 H HG3  . LYS   A 96  ? 0.532072 0.46276  0.401849 0.0289497   -0.0687449  -0.00594835 108 LYS   B HG3  
1377 H HD2  . LYS   A 96  ? 0.618616 0.498318 0.449477 0.041744    -0.0782313  -0.00947378 108 LYS   B HD2  
1378 H HD3  . LYS   A 96  ? 0.622657 0.518853 0.464067 0.0586574   -0.0825287  -0.012795   108 LYS   B HD3  
1379 H HE2  . LYS   A 96  ? 0.655891 0.591573 0.518629 0.0631117   -0.0677232  -0.0184922  108 LYS   B HE2  
1380 H HE3  . LYS   A 96  ? 0.653789 0.568506 0.500581 0.0477399   -0.0662308  -0.0154832  108 LYS   B HE3  
1381 H HZ1  . LYS   A 96  ? 0.708695 0.585466 0.53005  0.0785595   -0.0794742  -0.0229342  108 LYS   B HZ1  
1382 H HZ2  . LYS   A 96  ? 0.707421 0.565493 0.516176 0.0604021   -0.0780121  -0.0205563  108 LYS   B HZ2  
1383 H HZ3  . LYS   A 96  ? 0.706182 0.589583 0.525324 0.074472    -0.0714094  -0.0264644  108 LYS   B HZ3  
1384 N N    . PRO   A 97  ? 0.515829 0.411519 0.353367 0.0286204   -0.0914337  7.666e-05   109 PRO   B N    
1385 C CA   . PRO   A 97  ? 0.481915 0.35838  0.296572 0.0280854   -0.0953854  0.00362483  109 PRO   B CA   
1386 C C    . PRO   A 97  ? 0.50483  0.351229 0.296221 0.0229091   -0.089705   0.0113556   109 PRO   B C    
1387 O O    . PRO   A 97  ? 0.563459 0.398533 0.339605 0.0169689   -0.085649   0.0160151   109 PRO   B O    
1388 C CB   . PRO   A 97  ? 0.553978 0.43557  0.365299 0.0427162   -0.109185   0.00018839  109 PRO   B CB   
1389 C CG   . PRO   A 97  ? 0.536247 0.441702 0.371988 0.0520979   -0.111246   -0.00502966 109 PRO   B CG   
1390 C CD   . PRO   A 97  ? 0.506676 0.42443  0.360501 0.0406514   -0.0985034  -0.00552057 109 PRO   B CD   
1391 H HA   . PRO   A 97  ? 0.493014 0.377568 0.313236 0.0213144   -0.0926876  0.00250039  109 PRO   B HA   
1392 H HB2  . PRO   A 97  ? 0.561885 0.421654 0.351467 0.0488485   -0.112802   0.00422215  109 PRO   B HB2  
1393 H HB3  . PRO   A 97  ? 0.537773 0.429142 0.352016 0.0406489   -0.113319   -0.00260751 109 PRO   B HB3  
1394 H HG2  . PRO   A 97  ? 0.552929 0.444597 0.377677 0.0621353   -0.113938   -0.00380635 109 PRO   B HG2  
1395 H HG3  . PRO   A 97  ? 0.533318 0.459605 0.383118 0.055635    -0.117723   -0.00907107 109 PRO   B HG3  
1396 H HD2  . PRO   A 97  ? 0.511047 0.428878 0.366849 0.0465386   -0.0964952  -0.00652611 109 PRO   B HD2  
1397 H HD3  . PRO   A 97  ? 0.494306 0.433493 0.366888 0.0358565   -0.0972741  -0.008225   109 PRO   B HD3  
1398 N N    . GLU   A 98  ? 0.540722 0.373694 0.328747 0.0240035   -0.0885085  0.0124383   110 GLU   B N    
1399 C CA   . GLU   A 98  ? 0.571305 0.37428  0.339506 0.0160178   -0.084338   0.0195223   110 GLU   B CA   
1400 C C    . GLU   A 98  ? 0.545293 0.358121 0.323103 -0.00025737 -0.0736821  0.0234381   110 GLU   B C    
1401 O O    . GLU   A 98  ? 0.616428 0.411298 0.380574 -0.0094392  -0.0681727  0.0310843   110 GLU   B O    
1402 C CB   . GLU   A 98  ? 0.663296 0.445505 0.424208 0.0188234   -0.0868548  0.0176455   110 GLU   B CB   
1403 C CG   . GLU   A 98  ? 0.76052  0.527864 0.508673 0.0388696   -0.0965232  0.0144987   110 GLU   B CG   
1404 C CD   . GLU   A 98  ? 0.817424 0.618276 0.58692  0.0543014   -0.101466   0.00649585  110 GLU   B CD   
1405 O OE1  . GLU   A 98  ? 0.602944 0.435741 0.397593 0.0494205   -0.0963996  0.00182262  110 GLU   B OE1  
1406 O OE2  . GLU   A 98  ? 0.845601 0.641626 0.606824 0.0717108   -0.11078    0.00607008  110 GLU   B OE2  
1407 H H    . GLU   A 98  ? 0.529821 0.372369 0.328104 0.0292303   -0.0901397  0.00829069  110 GLU   B H    
1408 H HA   . GLU   A 98  ? 0.60168  0.388169 0.351584 0.0196887   -0.0870206  0.0236665   110 GLU   B HA   
1409 H HB2  . GLU   A 98  ? 0.641599 0.439014 0.417126 0.0161181   -0.0846128  0.0133896   110 GLU   B HB2  
1410 H HB3  . GLU   A 98  ? 0.675152 0.437277 0.424365 0.0101227   -0.0841358  0.0225988   110 GLU   B HB3  
1411 H HG2  . GLU   A 98  ? 0.774747 0.522728 0.514226 0.0397545   -0.0970553  0.0131634   110 GLU   B HG2  
1412 H HG3  . GLU   A 98  ? 0.779299 0.52995  0.510531 0.0422898   -0.0996038  0.0196276   110 GLU   B HG3  
1413 N N    . TYR   A 99  ? 0.508487 0.349556 0.310288 -0.00365889 -0.0699316  0.0193146   111 TYR   B N    
1414 C CA   . TYR   A 99  ? 0.538608 0.391451 0.351711 -0.0151539  -0.0606605  0.0229569   111 TYR   B CA   
1415 C C    . TYR   A 99  ? 0.537207 0.401563 0.353627 -0.0141314  -0.0563941  0.022283    111 TYR   B C    
1416 O O    . TYR   A 99  ? 0.467938 0.345101 0.296417 -0.0193661  -0.0483746  0.0239915   111 TYR   B O    
1417 C CB   . TYR   A 99  ? 0.490758 0.360177 0.32255  -0.0179882  -0.0602426  0.0198572   111 TYR   B CB   
1418 C CG   . TYR   A 99  ? 0.526348 0.37984  0.350016 -0.0211428  -0.0643821  0.0190561   111 TYR   B CG   
1419 C CD1  . TYR   A 99  ? 0.542617 0.391083 0.367194 -0.0345046  -0.062026   0.0234015   111 TYR   B CD1  
1420 C CD2  . TYR   A 99  ? 0.511214 0.353957 0.32628  -0.0109966  -0.070829   0.0132673   111 TYR   B CD2  
1421 C CE1  . TYR   A 99  ? 0.59084  0.41962  0.405679 -0.03995    -0.0675735  0.0211388   111 TYR   B CE1  
1422 C CE2  . TYR   A 99  ? 0.557152 0.377223 0.358975 -0.0129435  -0.0750953  0.0108309   111 TYR   B CE2  
1423 C CZ   . TYR   A 99  ? 0.568441 0.380348 0.369729 -0.028805   -0.0742291  0.014145    111 TYR   B CZ   
1424 O OH   . TYR   A 99  ? 0.604602 0.390363 0.392027 -0.0345042  -0.0799624  0.0104679   111 TYR   B OH   
1425 H H    . TYR   A 99  ? 0.508997 0.362156 0.320422 0.00187577  -0.0729255  0.0147304   111 TYR   B H    
1426 H HA   . TYR   A 99  ? 0.538844 0.379786 0.343628 -0.0213852  -0.0576228  0.0279007   111 TYR   B HA   
1427 H HB2  . TYR   A 99  ? 0.492036 0.371149 0.330499 -0.0120862  -0.0623803  0.0158627   111 TYR   B HB2  
1428 H HB3  . TYR   A 99  ? 0.490915 0.371379 0.332388 -0.0233661  -0.055199   0.0222341   111 TYR   B HB3  
1429 H HD1  . TYR   A 99  ? 0.539281 0.398133 0.371785 -0.0401612  -0.0566779  0.0275338   111 TYR   B HD1  
1430 H HD2  . TYR   A 99  ? 0.518119 0.368012 0.335839 -0.00226295 -0.0724712  0.0105751   111 TYR   B HD2  
1431 H HE1  . TYR   A 99  ? 0.581109 0.408779 0.399335 -0.0510574  -0.0668469  0.0237152   111 TYR   B HE1  
1432 H HE2  . TYR   A 99  ? 0.563009 0.37494  0.3578   -0.00381427 -0.0786882  0.00615122  111 TYR   B HE2  
1434 N N    . ALA   A 100 ? 0.516068 0.37461  0.320237 -0.00606236 -0.0629883  0.0190299   112 ALA   B N    
1435 C CA   . ALA   A 100 ? 0.518047 0.382476 0.320484 -0.00497655 -0.061814   0.0154358   112 ALA   B CA   
1436 C C    . ALA   A 100 ? 0.540473 0.385451 0.312714 0.0008608   -0.0666003  0.0171601   112 ALA   B C    
1437 O O    . ALA   A 100 ? 0.571998 0.402809 0.326949 -0.00266449 -0.0582209  0.0245784   112 ALA   B O    
1438 C CB   . ALA   A 100 ? 0.496622 0.378794 0.318154 -0.002502   -0.0683443  0.007464    112 ALA   B CB   
1439 H H    . ALA   A 100 ? 0.534523 0.384433 0.330331 -0.00065697 -0.0692146  0.0185226   112 ALA   B H    
1440 H HA   . ALA   A 100 ? 0.509916 0.377716 0.31631  -0.00957222 -0.0535272  0.0175497   112 ALA   B HA   
1441 H HB1  . ALA   A 100 ? 0.482596 0.37461  0.319367 -0.00626786 -0.0636588  0.00777393  112 ALA   B HB1  
1442 H HB2  . ALA   A 100 ? 0.500957 0.384948 0.32361  0.00246408  -0.0752936  0.00577417  112 ALA   B HB2  
1443 H HB3  . ALA   A 100 ? 0.504529 0.386402 0.321807 -0.00215088 -0.0701493  0.00382587  112 ALA   B HB3  
1444 N N    . TYR   A 101 ? 0.567981 0.414421 0.334092 0.00906135  -0.0792195  0.0110596   113 TYR   B N    
1445 C CA   . TYR   A 101 ? 0.586098 0.414194 0.318802 0.0157341   -0.0849161  0.0125399   113 TYR   B CA   
1446 C C    . TYR   A 101 ? 0.629666 0.445035 0.34671  0.027196    -0.0976435  0.0155538   113 TYR   B C    
1447 O O    . TYR   A 101 ? 0.654604 0.452989 0.339891 0.0351723   -0.104815   0.018067    113 TYR   B O    
1448 C CB   . TYR   A 101 ? 0.569803 0.405741 0.299387 0.017135    -0.0920127  0.00246639  113 TYR   B CB   
1449 C CG   . TYR   A 101 ? 0.547252 0.386528 0.283979 0.00916859  -0.0787908  -0.00017999 113 TYR   B CG   
1450 C CD1  . TYR   A 101 ? 0.651833 0.476048 0.363411 0.00906564  -0.066677   0.00401348  113 TYR   B CD1  
1451 C CD2  . TYR   A 101 ? 0.568008 0.42457  0.335795 0.00305111  -0.0765158  -0.0055188  113 TYR   B CD2  
1452 C CE1  . TYR   A 101 ? 0.568411 0.395955 0.28648  0.00569957  -0.0543676  0.00075717  113 TYR   B CE1  
1453 C CE2  . TYR   A 101 ? 0.558299 0.413997 0.330854 -0.00125974 -0.0648791  -0.00718499 113 TYR   B CE2  
1454 C CZ   . TYR   A 101 ? 0.604735 0.446868 0.353905 0.00107596  -0.0537814  -0.00435188 113 TYR   B CZ   
1455 O OH   . TYR   A 101 ? 0.551455 0.394083 0.3074   0.00020471  -0.0417913  -0.00620929 113 TYR   B OH   
1456 H H    . TYR   A 101 ? 0.546775 0.406681 0.329096 0.0106441   -0.0846103  0.00623438  113 TYR   B H    
1457 H HA   . TYR   A 101 ? 0.600116 0.416304 0.318627 0.0121839   -0.0753788  0.0186073   113 TYR   B HA   
1458 H HB2  . TYR   A 101 ? 0.560792 0.411579 0.308288 0.0184256   -0.100814   -0.00332252 113 TYR   B HB2  
1459 H HB3  . TYR   A 101 ? 0.598696 0.421812 0.302599 0.0225531   -0.0970242  0.00322635  113 TYR   B HB3  
1460 H HD1  . TYR   A 101 ? 0.634168 0.445035 0.321987 0.0126658   -0.0668419  0.00881406  113 TYR   B HD1  
1461 H HD2  . TYR   A 101 ? 0.541544 0.410098 0.326976 0.00268465  -0.0825291  -0.00755834 113 TYR   B HD2  
1462 H HE1  . TYR   A 101 ? 0.614696 0.434412 0.316608 0.0070242   -0.0446713  0.00367681  113 TYR   B HE1  
1463 H HE2  . TYR   A 101 ? 0.549839 0.414208 0.341496 -0.00490416 -0.0635604  -0.00951538 113 TYR   B HE2  
1465 N N    . GLY   A 102 ? 0.565954 0.386182 0.300451 0.0301227   -0.100301   0.0157537   114 GLY   B N    
1466 C CA   . GLY   A 102 ? 0.620884 0.418875 0.335242 0.0421631   -0.108578   0.0210282   114 GLY   B CA   
1467 C C    . GLY   A 102 ? 0.652632 0.460192 0.363337 0.058391    -0.126723   0.0158631   114 GLY   B C    
1468 O O    . GLY   A 102 ? 0.637537 0.471298 0.364515 0.057588    -0.133706   0.00711856  114 GLY   B O    
1469 H H    . GLY   A 102 ? 0.560198 0.39538  0.316666 0.0258274   -0.096942   0.012633    114 GLY   B H    
1470 H HA2  . GLY   A 102 ? 0.609281 0.407588 0.335192 0.0422143   -0.106796   0.0208151   114 GLY   B HA2  
1471 H HA3  . GLY   A 102 ? 0.641174 0.416342 0.331822 0.0400347   -0.104059   0.0285648   114 GLY   B HA3  
1472 N N    . SER   A 103 ? 0.700947 0.486745 0.390258 0.0735548   -0.135908   0.0212027   115 SER   B N    
1473 C CA   . SER   A 103 ? 0.7048   0.502779 0.390217 0.0913173   -0.155464   0.017108    115 SER   B CA   
1474 C C    . SER   A 103 ? 0.676932 0.464287 0.329858 0.0918305   -0.162176   0.018838    115 SER   B C    
1475 O O    . SER   A 103 ? 0.723699 0.530571 0.3791   0.101488    -0.179783   0.0119949   115 SER   B O    
1476 C CB   . SER   A 103 ? 0.846919 0.626683 0.520077 0.111954    -0.165029   0.0217593   115 SER   B CB   
1477 O OG   . SER   A 103 ? 0.950658 0.68051  0.582999 0.112038    -0.158699   0.0347859   115 SER   B OG   
1478 H H    . SER   A 103 ? 0.706942 0.47038  0.384303 0.0732849   -0.131056   0.0272398   115 SER   B H    
1479 H HA   . SER   A 103 ? 0.688938 0.518056 0.403729 0.0900065   -0.158915   0.00879439  115 SER   B HA   
1480 H HB2  . SER   A 103 ? 0.843425 0.63403  0.514513 0.124528    -0.178937   0.0194968   115 SER   B HB2  
1481 H HB3  . SER   A 103 ? 0.812768 0.604249 0.508225 0.113598    -0.162059   0.0179458   115 SER   B HB3  
1483 N N    . ALA   A 104 ? 0.72979  0.491263 0.354776 0.0806684   -0.148196   0.0264988   116 ALA   B N    
1484 C CA   . ALA   A 104 ? 0.792181 0.544496 0.3837   0.0814646   -0.151958   0.0265267   116 ALA   B CA   
1485 C C    . ALA   A 104 ? 0.686239 0.469423 0.300498 0.0727532   -0.155099   0.0118955   116 ALA   B C    
1486 O O    . ALA   A 104 ? 0.71612  0.504375 0.314149 0.0785433   -0.170314   0.00462634  116 ALA   B O    
1487 C CB   . ALA   A 104 ? 0.858006 0.575914 0.412984 0.0732539   -0.133305   0.0397316   116 ALA   B CB   
1488 H H    . ALA   A 104 ? 0.721829 0.471888 0.348077 0.0727452   -0.136059   0.0315719   116 ALA   B H    
1489 H HA   . ALA   A 104 ? 0.801597 0.548328 0.375913 0.0950201   -0.166454   0.0276692   116 ALA   B HA   
1490 H HB1  . ALA   A 104 ? 0.866993 0.562629 0.407382 0.0774711   -0.132228   0.049175    116 ALA   B HB1  
1491 H HB2  . ALA   A 104 ? 0.822405 0.548177 0.395072 0.0609499   -0.119827   0.0387664   116 ALA   B HB2  
1492 H HB3  . ALA   A 104 ? 0.870723 0.581049 0.398858 0.0761895   -0.1357     0.0398607   116 ALA   B HB3  
1493 N N    . GLY   A 105 ? 0.642987 0.445633 0.294533 0.0591685   -0.142802   0.00696233  117 GLY   B N    
1494 C CA   . GLY   A 105 ? 0.592274 0.416684 0.264981 0.0489441   -0.142557   -0.00530747 117 GLY   B CA   
1495 C C    . GLY   A 105 ? 0.623573 0.428881 0.266044 0.0430699   -0.130683   -0.0051243  117 GLY   B C    
1496 O O    . GLY   A 105 ? 0.667071 0.447275 0.276941 0.0448495   -0.119333   0.00593909  117 GLY   B O    
1497 H H    . GLY   A 105 ? 0.623118 0.423063 0.285762 0.0561837   -0.134441   0.0116493   117 GLY   B H    
1498 H HA2  . GLY   A 105 ? 0.572417 0.410452 0.273732 0.0419196   -0.135243   -0.00667078 117 GLY   B HA2  
1499 H HA3  . GLY   A 105 ? 0.607267 0.445405 0.28571  0.0531952   -0.157465   -0.012698   117 GLY   B HA3  
1500 N N    . SER   A 106 ? 0.631961 0.44794  0.282488 0.0370998   -0.134482   -0.0179467  118 SER   B N    
1501 C CA   . SER   A 106 ? 0.695455 0.494101 0.316756 0.0345308   -0.125168   -0.0219562  118 SER   B CA   
1502 C C    . SER   A 106 ? 0.697235 0.502816 0.318894 0.0320249   -0.14186    -0.0394318  118 SER   B C    
1503 O O    . SER   A 106 ? 0.659806 0.469426 0.300055 0.0224025   -0.136091   -0.0485317  118 SER   B O    
1504 C CB   . SER   A 106 ? 0.606471 0.405584 0.24522  0.0253844   -0.101193   -0.0181892  118 SER   B CB   
1505 O OG   . SER   A 106 ? 0.692395 0.471549 0.294276 0.0281924   -0.0888818  -0.018171   118 SER   B OG   
1506 H H    . SER   A 106 ? 0.621803 0.456049 0.297294 0.0345203   -0.142869   -0.0248222  118 SER   B H    
1507 H HA   . SER   A 106 ? 0.702303 0.483419 0.289923 0.0410485   -0.124002   -0.0159848  118 SER   B HA   
1508 H HB2  . SER   A 106 ? 0.616816 0.417629 0.265482 0.024214    -0.0936739  -0.00884184 118 SER   B HB2  
1509 H HB3  . SER   A 106 ? 0.611741 0.422735 0.275152 0.019662    -0.102236   -0.0251355  118 SER   B HB3  
1511 N N    . LEU   A 107 ? 0.714394 0.516556 0.309193 0.0411818   -0.163257   -0.0439976  119 LEU   B N    
1512 C CA   . LEU   A 107 ? 0.689722 0.499491 0.283491 0.0377326   -0.184038   -0.0617849  119 LEU   B CA   
1513 C C    . LEU   A 107 ? 0.78668  0.569667 0.343992 0.0350229   -0.175177   -0.071419   119 LEU   B C    
1514 O O    . LEU   A 107 ? 0.757135 0.515344 0.273384 0.0423082   -0.159214   -0.0638548  119 LEU   B O    
1515 C CB   . LEU   A 107 ? 0.731078 0.546803 0.304599 0.0504283   -0.211498   -0.0634264  119 LEU   B CB   
1516 C CG   . LEU   A 107 ? 0.710133 0.558843 0.326883 0.0548735   -0.224389   -0.0591158  119 LEU   B CG   
1517 C CD1  . LEU   A 107 ? 0.760807 0.620967 0.36487  0.0697737   -0.25239    -0.0606857  119 LEU   B CD1  
1518 C CD2  . LEU   A 107 ? 0.673306 0.555769 0.349687 0.0390118   -0.225293   -0.0689598  119 LEU   B CD2  
1519 H H    . LEU   A 107 ? 0.722341 0.516502 0.298562 0.049587    -0.16567    -0.0356805  119 LEU   B H    
1520 H HA   . LEU   A 107 ? 0.683301 0.512442 0.314845 0.0289385   -0.186127   -0.066811   119 LEU   B HA   
1521 H HB2  . LEU   A 107 ? 0.757502 0.552836 0.294171 0.0599383   -0.207541   -0.0548514  119 LEU   B HB2  
1522 H HB3  . LEU   A 107 ? 0.753632 0.570679 0.318738 0.0476061   -0.225564   -0.0761247  119 LEU   B HB3  
1523 H HG   . LEU   A 107 ? 0.698869 0.541122 0.317823 0.058557    -0.211248   -0.0472215  119 LEU   B HG   
1524 H HD11 . LEU   A 107 ? 0.787856 0.623873 0.34937  0.0796711   -0.2529     -0.0545347  119 LEU   B HD11 
1525 H HD12 . LEU   A 107 ? 0.73546  0.612886 0.364947 0.0753328   -0.254943   -0.0552246  119 LEU   B HD12 
1526 H HD13 . LEU   A 107 ? 0.76346  0.637925 0.375606 0.0646827   -0.268104   -0.0732598  119 LEU   B HD13 
1527 H HD21 . LEU   A 107 ? 0.645848 0.52569  0.337258 0.0332716   -0.207351   -0.0634796  119 LEU   B HD21 
1528 H HD22 . LEU   A 107 ? 0.684688 0.56624  0.358704 0.0307106   -0.231958   -0.08045    119 LEU   B HD22 
1529 H HD23 . LEU   A 107 ? 0.662174 0.569183 0.363108 0.0430789   -0.236964   -0.0689936  119 LEU   B HD23 
1530 N N    . PRO   A 108 ? 0.76073  0.545955 0.327779 0.0251136   -0.186399   -0.089541   120 PRO   B N    
1531 C CA   . PRO   A 108 ? 0.767291 0.583439 0.382113 0.0138935   -0.205668   -0.098972   120 PRO   B CA   
1532 C C    . PRO   A 108 ? 0.707923 0.542126 0.376939 0.0008854   -0.190946   -0.0950729  120 PRO   B C    
1533 O O    . PRO   A 108 ? 0.713816 0.577502 0.425565 -0.00856328 -0.203037   -0.099542   120 PRO   B O    
1534 C CB   . PRO   A 108 ? 0.76463  0.568123 0.362323 0.0056606   -0.221375   -0.119708   120 PRO   B CB   
1535 C CG   . PRO   A 108 ? 0.82867  0.594536 0.386389 0.00920694  -0.200216   -0.121521   120 PRO   B CG   
1536 C CD   . PRO   A 108 ? 0.858738 0.614827 0.388882 0.024178    -0.180836   -0.102286   120 PRO   B CD   
1537 H HA   . PRO   A 108 ? 0.750467 0.582568 0.370336 0.0200558   -0.21942    -0.0957247  120 PRO   B HA   
1538 H HB2  . PRO   A 108 ? 0.766509 0.583763 0.398692 -0.0071192  -0.225751   -0.126457   120 PRO   B HB2  
1539 H HB3  . PRO   A 108 ? 0.810996 0.616124 0.387859 0.0113067   -0.240336   -0.125024   120 PRO   B HB3  
1540 H HG2  . PRO   A 108 ? 0.806044 0.570008 0.386187 0.00110843  -0.187994   -0.122449   120 PRO   B HG2  
1541 H HG3  . PRO   A 108 ? 0.865848 0.614744 0.391959 0.010271    -0.210623   -0.133991   120 PRO   B HG3  
1542 H HD2  . PRO   A 108 ? 0.825171 0.572183 0.357292 0.0235422   -0.160383   -0.0975321  120 PRO   B HD2  
1543 H HD3  . PRO   A 108 ? 0.874403 0.615373 0.362908 0.0331696   -0.186353   -0.103689   120 PRO   B HD3  
1544 N N    . LYS   A 109 ? 0.738028 0.557601 0.406826 0.00022689  -0.16556    -0.086798   121 LYS   B N    
1545 C CA   . LYS   A 109 ? 0.711182 0.545676 0.426558 -0.0114046  -0.153914   -0.0835713  121 LYS   B CA   
1546 C C    . LYS   A 109 ? 0.705148 0.570153 0.456737 -0.0099721  -0.153952   -0.0719926  121 LYS   B C    
1547 O O    . LYS   A 109 ? 0.660548 0.547729 0.452873 -0.0198706  -0.154131   -0.0725698  121 LYS   B O    
1548 C CB   . LYS   A 109 ? 0.70052  0.515298 0.408822 -0.0103238  -0.128538   -0.0771459  121 LYS   B CB   
1549 C CG   . LYS   A 109 ? 0.725448 0.507743 0.397778 -0.00924829 -0.12591    -0.0902563  121 LYS   B CG   
1550 C CD   . LYS   A 109 ? 0.737903 0.505359 0.409069 -0.00547365 -0.100512   -0.0840853  121 LYS   B CD   
1551 C CE   . LYS   A 109 ? 0.801009 0.53687  0.446855 -0.00324577 -0.093984   -0.0967402  121 LYS   B CE   
1552 N NZ   . LYS   A 109 ? 0.831834 0.554282 0.485061 -0.0158979  -0.108465   -0.113087   121 LYS   B NZ   
1553 H H    . LYS   A 109 ? 0.742739 0.544851 0.383657 0.0070586   -0.155409   -0.08262    121 LYS   B H    
1554 H HA   . LYS   A 109 ? 0.719798 0.557193 0.448403 -0.0211558  -0.162576   -0.0937501  121 LYS   B HA   
1555 H HB2  . LYS   A 109 ? 0.691187 0.504599 0.388766 -0.00281527 -0.119691   -0.0672344  121 LYS   B HB2  
1556 H HB3  . LYS   A 109 ? 0.673009 0.496938 0.410029 -0.0171298  -0.122253   -0.0744055  121 LYS   B HB3  
1557 H HG2  . LYS   A 109 ? 0.745771 0.526346 0.426985 -0.0180113  -0.136441   -0.101032   121 LYS   B HG2  
1558 H HG3  . LYS   A 109 ? 0.760405 0.532912 0.400538 -0.00158129 -0.13061    -0.0922512  121 LYS   B HG3  
1559 H HD2  . LYS   A 109 ? 0.735293 0.504149 0.394434 0.00229937  -0.0910981  -0.074876   121 LYS   B HD2  
1560 H HD3  . LYS   A 109 ? 0.709786 0.489746 0.411974 -0.0111236  -0.0958495  -0.0784453  121 LYS   B HD3  
1561 H HE2  . LYS   A 109 ? 0.825981 0.549191 0.437808 0.0047812   -0.0938431  -0.100297   121 LYS   B HE2  
1562 H HE3  . LYS   A 109 ? 0.785427 0.519114 0.439776 0.00010527  -0.0782418  -0.090426   121 LYS   B HE3  
1563 H HZ1  . LYS   A 109 ? 0.844612 0.568776 0.487704 -0.0186237  -0.123962   -0.120646   121 LYS   B HZ1  
1564 H HZ2  . LYS   A 109 ? 0.804204 0.539024 0.488483 -0.0241691  -0.108483   -0.108999   121 LYS   B HZ2  
1565 H HZ3  . LYS   A 109 ? 0.853206 0.552669 0.489744 -0.0129419  -0.102065   -0.119851   121 LYS   B HZ3  
1566 N N    . ILE   A 110 ? 0.659612 0.522357 0.395067 0.00223568  -0.150269   -0.0603671  122 ILE   B N    
1567 C CA   . ILE   A 110 ? 0.664626 0.548137 0.429703 0.00483264  -0.146159   -0.0498543  122 ILE   B CA   
1568 C C    . ILE   A 110 ? 0.635264 0.528775 0.392919 0.0176615   -0.163391   -0.0475648  122 ILE   B C    
1569 O O    . ILE   A 110 ? 0.667653 0.539525 0.387297 0.0284488   -0.164096   -0.0411832  122 ILE   B O    
1570 C CB   . ILE   A 110 ? 0.636466 0.506846 0.395374 0.00700324  -0.124813   -0.036653   122 ILE   B CB   
1571 C CG1  . ILE   A 110 ? 0.670838 0.527643 0.427497 7.214e-05   -0.107152   -0.0369651  122 ILE   B CG1  
1572 C CG2  . ILE   A 110 ? 0.626708 0.517477 0.417883 0.00743603  -0.121861   -0.0297719  122 ILE   B CG2  
1573 C CD1  . ILE   A 110 ? 0.674698 0.543513 0.464704 -0.010922   -0.105116   -0.0424077  122 ILE   B CD1  
1574 H H    . ILE   A 110 ? 0.700021 0.546315 0.404265 0.00898237  -0.149815   -0.0589001  122 ILE   B H    
1575 H HA   . ILE   A 110 ? 0.627859 0.528101 0.422782 -0.0028113  -0.146257   -0.052735   122 ILE   B HA   
1576 H HB   . ILE   A 110 ? 0.666345 0.523321 0.399395 0.0141772   -0.124986   -0.0319368  122 ILE   B HB   
1577 H HG12 . ILE   A 110 ? 0.691587 0.533417 0.423674 0.00208304  -0.108024   -0.0416552  122 ILE   B HG12 
1578 H HG13 . ILE   A 110 ? 0.656473 0.510145 0.412285 0.00159801  -0.0957966  -0.0284179  122 ILE   B HG13 
1579 H HG21 . ILE   A 110 ? 0.608133 0.492749 0.399759 0.00597375  -0.109516   -0.0232661  122 ILE   B HG21 
1580 H HG22 . ILE   A 110 ? 0.605898 0.513209 0.422048 0.0015607   -0.124254   -0.0342615  122 ILE   B HG22 
1581 H HG23 . ILE   A 110 ? 0.62655  0.519398 0.411897 0.0154368   -0.129814   -0.0274557  122 ILE   B HG23 
1582 H HD11 . ILE   A 110 ? 0.644283 0.527948 0.456313 -0.0123599  -0.102877   -0.0373781  122 ILE   B HD11 
1583 H HD12 . ILE   A 110 ? 0.667877 0.525447 0.453557 -0.012612   -0.0945264  -0.0419625  122 ILE   B HD12 
1584 H HD13 . ILE   A 110 ? 0.677759 0.549959 0.470879 -0.0147992  -0.116307   -0.0511291  122 ILE   B HD13 
1585 N N    . PRO   A 111 ? 0.629772 0.556004 0.423738 0.0182696   -0.175206   -0.0505499  123 PRO   B N    
1586 C CA   . PRO   A 111 ? 0.582644 0.520173 0.372008 0.0346424   -0.191861   -0.0478753  123 PRO   B CA   
1587 C C    . PRO   A 111 ? 0.614208 0.538435 0.395483 0.0457589   -0.180148   -0.0343883  123 PRO   B C    
1588 O O    . PRO   A 111 ? 0.597673 0.510416 0.382474 0.0387906   -0.160637   -0.0280945  123 PRO   B O    
1589 C CB   . PRO   A 111 ? 0.593499 0.575201 0.430043 0.0307923   -0.205305   -0.0562297  123 PRO   B CB   
1590 C CG   . PRO   A 111 ? 0.623804 0.615067 0.493161 0.0111339   -0.189205   -0.0587629  123 PRO   B CG   
1591 C CD   . PRO   A 111 ? 0.578095 0.532322 0.418613 0.00433566  -0.172206   -0.055803   123 PRO   B CD   
1592 H HA   . PRO   A 111 ? 0.634809 0.559097 0.395002 0.0400547   -0.202063   -0.0501056  123 PRO   B HA   
1593 H HB2  . PRO   A 111 ? 0.591827 0.587735 0.441337 0.0411308   -0.207245   -0.0518119  123 PRO   B HB2  
1594 H HB3  . PRO   A 111 ? 0.619002 0.607981 0.451331 0.0303832   -0.221538   -0.0640787  123 PRO   B HB3  
1595 H HG2  . PRO   A 111 ? 0.576365 0.581845 0.467582 0.0127987   -0.18098    -0.0537308  123 PRO   B HG2  
1596 H HG3  . PRO   A 111 ? 0.601028 0.608824 0.488623 0.00172429  -0.198196   -0.0671864  123 PRO   B HG3  
1597 H HD2  . PRO   A 111 ? 0.572839 0.526306 0.424372 0.00188095  -0.157869   -0.0495455  123 PRO   B HD2  
1598 H HD3  . PRO   A 111 ? 0.602849 0.5525   0.443189 -0.00563349 -0.17426    -0.0633552  123 PRO   B HD3  
1599 N N    . SER   A 112 ? 0.585111 0.509152 0.353852 0.0633249   -0.193889   -0.0305618  124 SER   B N    
1600 C CA   . SER   A 112 ? 0.59647  0.504746 0.357495 0.074938    -0.185969   -0.0194048  124 SER   B CA   
1601 C C    . SER   A 112 ? 0.536256 0.469777 0.340472 0.0705539   -0.175052   -0.0205842  124 SER   B C    
1602 O O    . SER   A 112 ? 0.513635 0.484859 0.355252 0.0683627   -0.181224   -0.0281721  124 SER   B O    
1603 C CB   . SER   A 112 ? 0.596566 0.501942 0.340159 0.0968961   -0.204824   -0.0163036  124 SER   B CB   
1604 O OG   . SER   A 112 ? 0.612404 0.49928  0.349464 0.109867    -0.198579   -0.00686377 124 SER   B OG   
1605 H H    . SER   A 112 ? 0.61623  0.548561 0.380032 0.0686403   -0.209321   -0.0352254  124 SER   B H    
1606 H HA   . SER   A 112 ? 0.59167  0.473139 0.328953 0.0712755   -0.17492    -0.0130242  124 SER   B HA   
1607 H HB2  . SER   A 112 ? 0.634242 0.519602 0.345068 0.0997355   -0.210206   -0.0140402  124 SER   B HB2  
1608 H HB3  . SER   A 112 ? 0.600902 0.536486 0.368865 0.100396    -0.217096   -0.023217   124 SER   B HB3  
1610 N N    . ASN   A 113 ? 0.556918 0.468723 0.352826 0.0687102   -0.15927    -0.0128881  125 ASN   B N    
1611 C CA   . ASN   A 113 ? 0.584029 0.510316 0.407318 0.070202    -0.150039   -0.0126728  125 ASN   B CA   
1612 C C    . ASN   A 113 ? 0.532588 0.488833 0.392049 0.0542282   -0.141027   -0.0183592  125 ASN   B C    
1613 O O    . ASN   A 113 ? 0.482048 0.468382 0.373488 0.0567654   -0.138948   -0.0215163  125 ASN   B O    
1614 C CB   . ASN   A 113 ? 0.582834 0.522181 0.414267 0.0918833   -0.16197    -0.0137401  125 ASN   B CB   
1615 C CG   . ASN   A 113 ? 0.619489 0.51555  0.410577 0.10609     -0.164785   -0.00504266 125 ASN   B CG   
1616 O OD1  . ASN   A 113 ? 0.678298 0.539785 0.444468 0.0961585   -0.153413   0.00182164  125 ASN   B OD1  
1617 N ND2  . ASN   A 113 ? 0.697686 0.59499  0.483436 0.128672    -0.179024   -0.00451139 125 ASN   B ND2  
1618 H H    . ASN   A 113 ? 0.571964 0.458838 0.343356 0.0660641   -0.15372    -0.00770224 125 ASN   B H    
1619 H HA   . ASN   A 113 ? 0.57015  0.473848 0.378925 0.0679783   -0.140904   -0.00725813 125 ASN   B HA   
1620 H HB2  . ASN   A 113 ? 0.590225 0.549779 0.431315 0.0959474   -0.174016   -0.0180588  125 ASN   B HB2  
1621 H HB3  . ASN   A 113 ? 0.569834 0.525003 0.422624 0.0930198   -0.155656   -0.0156336  125 ASN   B HB3  
1622 H HD21 . ASN   A 113 ? 0.706948 0.575253 0.46682  0.137479    -0.181065   0.00132506  125 ASN   B HD21 
1623 H HD22 . ASN   A 113 ? 0.673374 0.600682 0.481921 0.135307    -0.186563   -0.00963648 125 ASN   B HD22 
1624 N N    . ALA   A 114 ? 0.463853 0.411308 0.317426 0.0388756   -0.134662   -0.0191713  126 ALA   B N    
1625 C CA   . ALA   A 114 ? 0.487597 0.456081 0.370557 0.0240465   -0.127127   -0.0234422  126 ALA   B CA   
1626 C C    . ALA   A 114 ? 0.449251 0.411757 0.337841 0.0182794   -0.109643   -0.017447   126 ALA   B C    
1627 O O    . ALA   A 114 ? 0.512313 0.450147 0.379639 0.0170578   -0.101964   -0.0116198  126 ALA   B O    
1628 C CB   . ALA   A 114 ? 0.543682 0.502248 0.416954 0.0126098   -0.128592   -0.0281101  126 ALA   B CB   
1629 H H    . ALA   A 114 ? 0.502278 0.428882 0.332109 0.0382251   -0.134228   -0.0165868  126 ALA   B H    
1630 H HA   . ALA   A 114 ? 0.476691 0.470508 0.383046 0.0256268   -0.132291   -0.027234   126 ALA   B HA   
1631 H HB1  . ALA   A 114 ? 0.543746 0.506073 0.411783 0.0157232   -0.141004   -0.0328964  126 ALA   B HB1  
1632 H HB2  . ALA   A 114 ? 0.53426  0.471229 0.386448 0.0119658   -0.122114   -0.0242765  126 ALA   B HB2  
1633 H HB3  . ALA   A 114 ? 0.515711 0.484857 0.407972 0.00301208  -0.123607   -0.0303503  126 ALA   B HB3  
1634 N N    . THR   A 115 ? 0.452074 0.439908 0.370121 0.0142399   -0.103969   -0.0187575  127 THR   B N    
1635 C CA   . THR   A 115 ? 0.432507 0.418551 0.357009 0.0065788   -0.0889013  -0.0139729  127 THR   B CA   
1636 C C    . THR   A 115 ? 0.436418 0.42007  0.367795 -0.00809265 -0.0838648  -0.0146206  127 THR   B C    
1637 O O    . THR   A 115 ? 0.465145 0.463454 0.414114 -0.0154911  -0.0885457  -0.019745   127 THR   B O    
1638 C CB   . THR   A 115 ? 0.446827 0.459052 0.394215 0.0112549   -0.0839496  -0.0141567  127 THR   B CB   
1639 O OG1  . THR   A 115 ? 0.431519 0.435703 0.36517  0.0272405   -0.087836   -0.0141877  127 THR   B OG1  
1640 C CG2  . THR   A 115 ? 0.480103 0.493181 0.43242  0.00409383  -0.0694273  -0.00901451 127 THR   B CG2  
1641 H H    . THR   A 115 ? 0.446121 0.454507 0.381037 0.0165293   -0.109551   -0.0223029  127 THR   B H    
1642 H HA   . THR   A 115 ? 0.441624 0.41001  0.349428 0.00885035  -0.0856633  -0.0103334  127 THR   B HA   
1643 H HB   . THR   A 115 ? 0.443368 0.476778 0.409987 0.00947767  -0.0877523  -0.0175625  127 THR   B HB   
1645 H HG21 . THR   A 115 ? 0.464522 0.492213 0.426209 0.00912886  -0.0656217  -0.00914867 127 THR   B HG21 
1646 H HG22 . THR   A 115 ? 0.46749  0.462277 0.403177 0.00464334  -0.0672     -0.00619077 127 THR   B HG22 
1647 H HG23 . THR   A 115 ? 0.462983 0.479911 0.424767 -0.00565204 -0.0663204  -0.00830381 127 THR   B HG23 
1648 N N    . LEU   A 116 ? 0.417749 0.384012 0.337837 -0.0121676  -0.0739038  -0.0092162  128 LEU   B N    
1649 C CA   . LEU   A 116 ? 0.404302 0.359836 0.324116 -0.0215919  -0.0680841  -0.00881204 128 LEU   B CA   
1650 C C    . LEU   A 116 ? 0.452841 0.412107 0.383022 -0.025537   -0.0562853  -0.00179655 128 LEU   B C    
1651 O O    . LEU   A 116 ? 0.404184 0.366128 0.33104  -0.0206205  -0.0525711  0.00280693  128 LEU   B O    
1652 C CB   . LEU   A 116 ? 0.477202 0.410079 0.372812 -0.0189598  -0.0658197  -0.00699804 128 LEU   B CB   
1653 C CG   . LEU   A 116 ? 0.560676 0.481583 0.434488 -0.0140195  -0.0746154  -0.0112473  128 LEU   B CG   
1654 C CD1  . LEU   A 116 ? 0.585363 0.486501 0.438826 -0.0140874  -0.0673074  -0.00982976 128 LEU   B CD1  
1655 C CD2  . LEU   A 116 ? 0.556384 0.487132 0.437738 -0.0156691  -0.0864304  -0.0195483  128 LEU   B CD2  
1656 H H    . LEU   A 116 ? 0.415354 0.375942 0.327653 -0.00816469 -0.0709527  -0.00575939 128 LEU   B H    
1657 H HA   . LEU   A 116 ? 0.435838 0.395447 0.363166 -0.0265296  -0.0726025  -0.0137391  128 LEU   B HA   
1658 H HB2  . LEU   A 116 ? 0.468293 0.399641 0.360431 -0.016381   -0.0615992  -0.0020572  128 LEU   B HB2  
1659 H HB3  . LEU   A 116 ? 0.477478 0.40358  0.373606 -0.0229718  -0.0609495  -0.00683326 128 LEU   B HB3  
1660 H HG   . LEU   A 116 ? 0.54778  0.467957 0.415158 -0.00867978 -0.0767086  -0.00847631 128 LEU   B HG   
1661 H HD11 . LEU   A 116 ? 0.574268 0.474348 0.427402 -0.0134135  -0.0603565  -0.0038982  128 LEU   B HD11 
1662 H HD12 . LEU   A 116 ? 0.596207 0.488849 0.432495 -0.0106512  -0.0719053  -0.0118278  128 LEU   B HD12 
1663 H HD13 . LEU   A 116 ? 0.583833 0.481967 0.441391 -0.017813   -0.0648256  -0.0128362  128 LEU   B HD13 
1664 H HD21 . LEU   A 116 ? 0.551908 0.496964 0.444287 -0.0124575  -0.0907469  -0.0195003  128 LEU   B HD21 
1665 H HD22 . LEU   A 116 ? 0.557085 0.490217 0.449522 -0.0228426  -0.0845437  -0.0222617  128 LEU   B HD22 
1666 H HD23 . LEU   A 116 ? 0.575653 0.496364 0.439582 -0.0126896  -0.0923564  -0.0226444  128 LEU   B HD23 
1667 N N    . PHE   A 117 ? 0.46792  0.422185 0.405845 -0.0340533  -0.051479   -0.00121588 129 PHE   B N    
1668 C CA   . PHE   A 117 ? 0.461455 0.414901 0.40538  -0.0371462  -0.0407555  0.00704574  129 PHE   B CA   
1669 C C    . PHE   A 117 ? 0.449559 0.379949 0.383224 -0.0381773  -0.0366563  0.00863138  129 PHE   B C    
1670 O O    . PHE   A 117 ? 0.457534 0.374641 0.38758  -0.0424861  -0.0405523  0.00143714  129 PHE   B O    
1671 C CB   . PHE   A 117 ? 0.418083 0.386826 0.383044 -0.0462107  -0.0370452  0.00819932  129 PHE   B CB   
1672 C CG   . PHE   A 117 ? 0.493945 0.453554 0.459491 -0.0505426  -0.0254342  0.018314    129 PHE   B CG   
1673 C CD1  . PHE   A 117 ? 0.477846 0.414204 0.441064 -0.0577472  -0.0226109  0.0194048   129 PHE   B CD1  
1674 C CD2  . PHE   A 117 ? 0.450294 0.419389 0.413228 -0.0455182  -0.017876   0.026846    129 PHE   B CD2  
1675 C CE1  . PHE   A 117 ? 0.529602 0.452534 0.488932 -0.0587987  -0.0124996  0.0305903   129 PHE   B CE1  
1676 C CE2  . PHE   A 117 ? 0.44791  0.406769 0.406687 -0.0477739  -0.00823208 0.0376431   129 PHE   B CE2  
1677 C CZ   . PHE   A 117 ? 0.452794 0.388082 0.409739 -0.0536929  -0.00568637 0.0404009   129 PHE   B CZ   
1678 H H    . PHE   A 117 ? 0.472966 0.42173  0.410368 -0.0378709  -0.0555708  -0.00616632 129 PHE   B H    
1679 H HA   . PHE   A 117 ? 0.441265 0.398603 0.380877 -0.0319071  -0.0384668  0.0110386   129 PHE   B HA   
1680 H HB2  . PHE   A 117 ? 0.435382 0.421078 0.406917 -0.0428365  -0.0374708  0.00806285  129 PHE   B HB2  
1681 H HB3  . PHE   A 117 ? 0.450332 0.418199 0.421719 -0.0525534  -0.0418159  0.00262788  129 PHE   B HB3  
1682 H HD1  . PHE   A 117 ? 0.500767 0.427618 0.461903 -0.0605136  -0.0279384  0.012522    129 PHE   B HD1  
1683 H HD2  . PHE   A 117 ? 0.446943 0.428501 0.409384 -0.040132   -0.0195312  0.0251701   129 PHE   B HD2  
1684 H HE1  . PHE   A 117 ? 0.517991 0.421579 0.474477 -0.0627023  -0.0106338  0.0313156   129 PHE   B HE1  
1685 H HE2  . PHE   A 117 ? 0.448294 0.413541 0.4021   -0.0436682  -0.00395638 0.0430909   129 PHE   B HE2  
1686 H HZ   . PHE   A 117 ? 0.482811 0.408489 0.435046 -0.0539208  0.00062729  0.04881     129 PHE   B HZ   
1687 N N    . PHE   A 118 ? 0.449847 0.375743 0.378375 -0.0331841  -0.0297904  0.0170261   130 PHE   B N    
1688 C CA   . PHE   A 118 ? 0.413266 0.319837 0.335008 -0.030648   -0.024556   0.0199546   130 PHE   B CA   
1689 C C    . PHE   A 118 ? 0.466097 0.371645 0.390577 -0.0287676  -0.0175025  0.031174    130 PHE   B C    
1690 O O    . PHE   A 118 ? 0.467226 0.387979 0.392736 -0.0261283  -0.016974   0.036955    130 PHE   B O    
1691 C CB   . PHE   A 118 ? 0.410692 0.315538 0.32208  -0.0218023  -0.0240865  0.0202249   130 PHE   B CB   
1692 C CG   . PHE   A 118 ? 0.469768 0.370464 0.370644 -0.0214663  -0.0290692  0.0115543   130 PHE   B CG   
1693 C CD1  . PHE   A 118 ? 0.479104 0.390558 0.377481 -0.0216681  -0.035348   0.00957016  130 PHE   B CD1  
1694 C CD2  . PHE   A 118 ? 0.492919 0.375318 0.382025 -0.0191936  -0.0272454  0.00563008  130 PHE   B CD2  
1695 C CE1  . PHE   A 118 ? 0.483634 0.388052 0.367524 -0.0198026  -0.0396292  0.00410093  130 PHE   B CE1  
1696 C CE2  . PHE   A 118 ? 0.481688 0.358936 0.354968 -0.0173475  -0.0311095  -0.00122264 130 PHE   B CE2  
1697 C CZ   . PHE   A 118 ? 0.46284  0.351485 0.33342  -0.0177177  -0.0370588  -0.00062695 130 PHE   B CZ   
1698 H H    . PHE   A 118 ? 0.42902  0.364278 0.357961 -0.0303125  -0.028935   0.0206556   130 PHE   B H    
1699 H HA   . PHE   A 118 ? 0.444987 0.339658 0.366123 -0.0349831  -0.0254597  0.015081    130 PHE   B HA   
1700 H HB2  . PHE   A 118 ? 0.411613 0.327856 0.324711 -0.0195734  -0.0244326  0.024361    130 PHE   B HB2  
1701 H HB3  . PHE   A 118 ? 0.432237 0.327277 0.341316 -0.0179755  -0.0196576  0.0227236   130 PHE   B HB3  
1702 H HD1  . PHE   A 118 ? 0.462409 0.383898 0.366481 -0.0219652  -0.0363385  0.0124499   130 PHE   B HD1  
1703 H HD2  . PHE   A 118 ? 0.496798 0.368392 0.385875 -0.0175422  -0.0228422  0.00661431  130 PHE   B HD2  
1704 H HE1  . PHE   A 118 ? 0.471655 0.380257 0.3521   -0.0188918  -0.0439227  0.00388524  130 PHE   B HE1  
1705 H HE2  . PHE   A 118 ? 0.501412 0.36526  0.363367 -0.0148177  -0.0292826  -0.00588213 130 PHE   B HE2  
1706 H HZ   . PHE   A 118 ? 0.484384 0.367497 0.341805 -0.016148   -0.040179   -0.00435146 130 PHE   B HZ   
1707 N N    . GLU   A 119 ? 0.469037 0.352617 0.390569 -0.0289142  -0.0127256  0.0337757   131 GLU   B N    
1708 C CA   . GLU   A 119 ? 0.477901 0.352971 0.395379 -0.0213092  -0.00679865 0.0455487   131 GLU   B CA   
1709 C C    . GLU   A 119 ? 0.465091 0.331101 0.376165 -0.00927689 -0.00589143 0.0442091   131 GLU   B C    
1710 O O    . GLU   A 119 ? 0.536649 0.384123 0.441699 -0.00866813 -0.00516915 0.0357821   131 GLU   B O    
1711 C CB   . GLU   A 119 ? 0.527895 0.38081  0.445166 -0.0283308  -0.00066466 0.0518217   131 GLU   B CB   
1712 C CG   . GLU   A 119 ? 0.58824  0.424696 0.496266 -0.0176322  0.00486345  0.0653654   131 GLU   B CG   
1713 C CD   . GLU   A 119 ? 0.604106 0.412711 0.509127 -0.0270416  0.0120102   0.0730513   131 GLU   B CD   
1714 O OE1  . GLU   A 119 ? 0.631657 0.449579 0.540468 -0.0367622  0.0166392   0.0805738   131 GLU   B OE1  
1715 O OE2  . GLU   A 119 ? 0.584199 0.358653 0.481383 -0.0237564  0.0139143   0.071172    131 GLU   B OE2  
1716 H H    . GLU   A 119 ? 0.483326 0.354983 0.40396  -0.0332948  -0.0138894  0.02786     131 GLU   B H    
1717 H HA   . GLU   A 119 ? 0.468331 0.358619 0.386614 -0.0187309  -0.0074392  0.0504661   131 GLU   B HA   
1718 H HB2  . GLU   A 119 ? 0.526026 0.389609 0.44947  -0.0360622  0.00042326  0.0536714   131 GLU   B HB2  
1719 H HB3  . GLU   A 119 ? 0.543608 0.380481 0.460124 -0.0329995  -0.00132268 0.0451814   131 GLU   B HB3  
1720 H HG2  . GLU   A 119 ? 0.581868 0.409138 0.485768 -0.00857568 0.00446304  0.0634941   131 GLU   B HG2  
1721 H HG3  . GLU   A 119 ? 0.564875 0.417464 0.472015 -0.0129258  0.00412587  0.0715013   131 GLU   B HG3  
1722 N N    . ILE   A 120 ? 0.488215 0.369384 0.400594 0.00079598  -0.00604209 0.0520577   132 ILE   B N    
1723 C CA   . ILE   A 120 ? 0.462855 0.346999 0.375732 0.0132389   -0.00426797 0.0523041   132 ILE   B CA   
1724 C C    . ILE   A 120 ? 0.515542 0.397622 0.428877 0.0257557   -0.00239701 0.0643551   132 ILE   B C    
1725 O O    . ILE   A 120 ? 0.454802 0.351326 0.369114 0.0258502   -0.00630032 0.0724037   132 ILE   B O    
1726 C CB   . ILE   A 120 ? 0.45125  0.36253  0.370301 0.0131242   -0.00792577 0.0494791   132 ILE   B CB   
1727 C CG1  . ILE   A 120 ? 0.427961 0.338943 0.342612 0.00264161  -0.0110746  0.0396351   132 ILE   B CG1  
1728 C CG2  . ILE   A 120 ? 0.497998 0.415926 0.421641 0.0249758   -0.00296999 0.0502205   132 ILE   B CG2  
1729 C CD1  . ILE   A 120 ? 0.414357 0.345348 0.331899 0.00038613  -0.0144799  0.03893     132 ILE   B CD1  
1730 H H    . ILE   A 120 ? 0.467675 0.359372 0.381297 -9.99e-05   -0.00736701 0.0572042   132 ILE   B H    
1731 H HA   . ILE   A 120 ? 0.489917 0.358203 0.398075 0.0143922   -0.00145805 0.0466991   132 ILE   B HA   
1732 H HB   . ILE   A 120 ? 0.444987 0.370074 0.367615 0.0124879   -0.011547   0.0541927   132 ILE   B HB   
1733 H HG12 . ILE   A 120 ? 0.442217 0.340329 0.351169 0.0035354   -0.00862467 0.0343053   132 ILE   B HG12 
1734 H HG13 . ILE   A 120 ? 0.429257 0.33828  0.343729 -0.00351224 -0.0134829  0.0390064   132 ILE   B HG13 
1735 H HG21 . ILE   A 120 ? 0.472661 0.407305 0.401179 0.0225032   -0.00433038 0.0491868   132 ILE   B HG21 
1736 H HG22 . ILE   A 120 ? 0.498011 0.399905 0.414903 0.0272752   0.00130853  0.0450974   132 ILE   B HG22 
1737 H HG23 . ILE   A 120 ? 0.490926 0.412623 0.419101 0.0331932   -0.00248647 0.056913    132 ILE   B HG23 
1738 H HD11 . ILE   A 120 ? 0.407029 0.349878 0.329627 0.00062185  -0.0172327  0.043612    132 ILE   B HD11 
1739 H HD12 . ILE   A 120 ? 0.409782 0.338669 0.322936 -0.00526221 -0.0176174  0.0342932   132 ILE   B HD12 
1740 H HD13 . ILE   A 120 ? 0.417681 0.350956 0.335699 0.00435341  -0.0107767  0.0385118   132 ILE   B HD13 
1741 N N    . GLU   A 121 ? 0.516563 0.381533 0.427162 0.0383447   0.00298445  0.0641937   133 GLU   B N    
1742 C CA   . GLU   A 121 ? 0.55555  0.423089 0.468696 0.0559537   0.00380043  0.0754494   133 GLU   B CA   
1743 C C    . GLU   A 121 ? 0.554637 0.448086 0.480863 0.068426    0.00545634  0.0731365   133 GLU   B C    
1744 O O    . GLU   A 121 ? 0.544908 0.427009 0.467769 0.0731101   0.0126721   0.0644789   133 GLU   B O    
1745 C CB   . GLU   A 121 ? 0.593919 0.419269 0.494021 0.0644555   0.00977351  0.0793306   133 GLU   B CB   
1746 C CG   . GLU   A 121 ? 0.641546 0.467541 0.54222  0.086339    0.00943062  0.0928778   133 GLU   B CG   
1747 C CD   . GLU   A 121 ? 0.670605 0.447795 0.554517 0.0970756   0.0151903   0.099308    133 GLU   B CD   
1748 O OE1  . GLU   A 121 ? 0.690852 0.429379 0.562025 0.0838246   0.0193894   0.0946478   133 GLU   B OE1  
1749 O OE2  . GLU   A 121 ? 0.601474 0.378737 0.485742 0.119888    0.0147778   0.10942     133 GLU   B OE2  
1750 H H    . GLU   A 121 ? 0.534376 0.385802 0.440501 0.0372308   0.00575856  0.0568045   133 GLU   B H    
1751 H HA   . GLU   A 121 ? 0.54408  0.424455 0.458705 0.0546266   -0.00071169 0.0824037   133 GLU   B HA   
1752 H HB2  . GLU   A 121 ? 0.606748 0.416678 0.500407 0.0537786   0.00983715  0.081073    133 GLU   B HB2  
1753 H HB3  . GLU   A 121 ? 0.610433 0.421252 0.506847 0.0664519   0.0137588   0.0711079   133 GLU   B HB3  
1754 H HG2  . GLU   A 121 ? 0.624625 0.469424 0.535218 0.0970024   0.00990845  0.0908382   133 GLU   B HG2  
1755 H HG3  . GLU   A 121 ? 0.621543 0.46369  0.523924 0.0845164   0.00425097  0.100393    133 GLU   B HG3  
1756 N N    . LEU   A 122 ? 0.499821 0.42737  0.439798 0.073305    -0.00097957 0.0806986   134 LEU   B N    
1757 C CA   . LEU   A 122 ? 0.530957 0.492693 0.490921 0.0839027   -4.46e-06   0.0813228   134 LEU   B CA   
1758 C C    . LEU   A 122 ? 0.58483  0.542325 0.549313 0.10888     0.00409319  0.0885798   134 LEU   B C    
1759 O O    . LEU   A 122 ? 0.548316 0.510144 0.513689 0.119498    -0.00300137 0.0996153   134 LEU   B O    
1760 C CB   . LEU   A 122 ? 0.505901 0.507459 0.481231 0.076624    -0.011301   0.0853411   134 LEU   B CB   
1761 C CG   . LEU   A 122 ? 0.494898 0.53972  0.497957 0.0820942   -0.0112096  0.0862519   134 LEU   B CG   
1762 C CD1  . LEU   A 122 ? 0.490083 0.536594 0.497135 0.078088    0.00181323  0.077903    134 LEU   B CD1  
1763 C CD2  . LEU   A 122 ? 0.454066 0.527645 0.466674 0.0670669   -0.0242827  0.0867015   134 LEU   B CD2  
1764 H H    . LEU   A 122 ? 0.514531 0.445748 0.451887 0.0693084   -0.00639053 0.0855867   134 LEU   B H    
1765 H HA   . LEU   A 122 ? 0.522403 0.484203 0.482889 0.0800025   0.00557542  0.0740402   134 LEU   B HA   
1766 H HB2  . LEU   A 122 ? 0.492766 0.492501 0.462811 0.0623781   -0.0135728  0.0805344   134 LEU   B HB2  
1767 H HB3  . LEU   A 122 ? 0.513588 0.514368 0.485115 0.0813522   -0.0173467  0.0922593   134 LEU   B HB3  
1768 H HG   . LEU   A 122 ? 0.503097 0.556412 0.514491 0.0977232   -0.0113391  0.0921095   134 LEU   B HG   
1769 H HD11 . LEU   A 122 ? 0.506166 0.535027 0.506337 0.0892788   0.00988449  0.0764515   134 LEU   B HD11 
1770 H HD12 . LEU   A 122 ? 0.483054 0.560093 0.509374 0.0781463   0.00236469  0.0794822   134 LEU   B HD12 
1771 H HD13 . LEU   A 122 ? 0.481988 0.516189 0.478    0.0646832   0.00134472  0.0727234   134 LEU   B HD13 
1772 H HD21 . LEU   A 122 ? 0.465109 0.532173 0.468074 0.0676971   -0.0318226  0.0903566   134 LEU   B HD21 
1773 H HD22 . LEU   A 122 ? 0.450276 0.517985 0.457494 0.0536392   -0.0229328  0.080835    134 LEU   B HD22 
1774 H HD23 . LEU   A 122 ? 0.457222 0.561066 0.490181 0.0702954   -0.0266553  0.0890492   134 LEU   B HD23 
1775 N N    . LEU   A 123 ? 0.588475 0.538133 0.554186 0.121079    0.0157012   0.0824577   135 LEU   B N    
1776 C CA   . LEU   A 123 ? 0.595635 0.532232 0.561315 0.147795    0.0210365   0.0878685   135 LEU   B CA   
1777 C C    . LEU   A 123 ? 0.645987 0.63596  0.643389 0.164178    0.0197987   0.094239    135 LEU   B C    
1778 O O    . LEU   A 123 ? 0.69082  0.68818  0.695856 0.185514    0.0151624   0.104674    135 LEU   B O    
1779 C CB   . LEU   A 123 ? 0.634577 0.531531 0.581811 0.155245    0.0341584   0.0768262   135 LEU   B CB   
1780 C CG   . LEU   A 123 ? 0.659635 0.506217 0.579267 0.137636    0.0337273   0.0690236   135 LEU   B CG   
1781 C CD1  . LEU   A 123 ? 0.730504 0.543026 0.631424 0.144833    0.044874    0.0548356   135 LEU   B CD1  
1782 C CD2  . LEU   A 123 ? 0.734901 0.548342 0.642395 0.14053     0.0288134   0.0798797   135 LEU   B CD2  
1783 H H    . LEU   A 123 ? 0.577166 0.528133 0.541679 0.11388     0.0204206   0.0749676   135 LEU   B H    
1784 H HA   . LEU   A 123 ? 0.626798 0.544901 0.58293  0.150719    0.0161456   0.0949416   135 LEU   B HA   
1785 H HB2  . LEU   A 123 ? 0.624782 0.540601 0.579214 0.15368     0.0398733   0.0707196   135 LEU   B HB2  
1786 H HB3  . LEU   A 123 ? 0.661024 0.547023 0.607282 0.174997    0.0378932   0.0803204   135 LEU   B HB3  
1787 H HG   . LEU   A 123 ? 0.648043 0.506988 0.569591 0.119794    0.0293194   0.0662652   135 LEU   B HG   
1788 H HD11 . LEU   A 123 ? 0.706872 0.54336  0.615522 0.14788     0.0499639   0.0507178   135 LEU   B HD11 
1789 H HD12 . LEU   A 123 ? 0.721382 0.510226 0.608316 0.130019    0.0427585   0.0480382   135 LEU   B HD12 
1790 H HD13 . LEU   A 123 ? 0.748782 0.538939 0.643042 0.161453    0.0488532   0.0566614   135 LEU   B HD13 
1791 H HD21 . LEU   A 123 ? 0.699455 0.532334 0.613769 0.133185    0.0217564   0.087064    135 LEU   B HD21 
1792 H HD22 . LEU   A 123 ? 0.74197  0.547751 0.649456 0.159985    0.0315503   0.0849391   135 LEU   B HD22 
1793 H HD23 . LEU   A 123 ? 0.733677 0.513503 0.625678 0.130441    0.0301513   0.0747898   135 LEU   B HD23 
1794 N N    . ASP   A 124 ? 0.582263 0.610062 0.598818 0.153995    0.0237633   0.0887408   136 ASP   B N    
1795 C CA   . ASP   A 124 ? 0.596668 0.680462 0.649244 0.166397    0.0253577   0.09355     136 ASP   B CA   
1796 C C    . ASP   A 124 ? 0.580076 0.696433 0.647812 0.144516    0.0294816   0.0880602   136 ASP   B C    
1797 O O    . ASP   A 124 ? 0.52972  0.618983 0.575562 0.127423    0.0340846   0.079849    136 ASP   B O    
1798 C CB   . ASP   A 124 ? 0.671278 0.751015 0.728402 0.197732    0.0391601   0.0936569   136 ASP   B CB   
1799 C CG   . ASP   A 124 ? 0.756355 0.894956 0.854235 0.219116    0.0384682   0.102066    136 ASP   B CG   
1800 O OD1  . ASP   A 124 ? 0.707083 0.89449  0.833041 0.20712     0.0252948   0.107782    136 ASP   B OD1  
1801 O OD2  . ASP   A 124 ? 0.841032 0.975705 0.942224 0.24845     0.0506884   0.101983    136 ASP   B OD2  
1802 H H    . ASP   A 124 ? 0.584719 0.604047 0.592552 0.138685    0.0257466   0.0823335   136 ASP   B H    
1803 H HA   . ASP   A 124 ? 0.597625 0.700658 0.661274 0.168429    0.0138389   0.10088     136 ASP   B HA   
1804 H HB2  . ASP   A 124 ? 0.701918 0.744816 0.739799 0.208159    0.0382136   0.0951501   136 ASP   B HB2  
1805 H HB3  . ASP   A 124 ? 0.682213 0.753628 0.732358 0.19566     0.0510538   0.085917    136 ASP   B HB3  
1806 N N    . PHE   A 125 ? 0.569086 0.743644 0.674899 0.145083    0.0268374   0.0934608   137 PHE   B N    
1807 C CA   . PHE   A 125 ? 0.573677 0.782791 0.69917  0.126659    0.0340967   0.0908193   137 PHE   B CA   
1808 C C    . PHE   A 125 ? 0.547399 0.82195  0.720573 0.137605    0.0376203   0.0974282   137 PHE   B C    
1809 O O    . PHE   A 125 ? 0.638804 0.939691 0.832935 0.152894    0.025638    0.104371    137 PHE   B O    
1810 C CB   . PHE   A 125 ? 0.555232 0.763354 0.675322 0.0965015   0.0197748   0.0893406   137 PHE   B CB   
1811 C CG   . PHE   A 125 ? 0.515403 0.746203 0.649246 0.092245    -0.0021192  0.0949086   137 PHE   B CG   
1812 C CD1  . PHE   A 125 ? 0.549724 0.746447 0.656922 0.0962804   -0.0140059  0.0963488   137 PHE   B CD1  
1813 C CD2  . PHE   A 125 ? 0.51479  0.799624 0.685795 0.0818296   -0.0106808  0.0982159   137 PHE   B CD2  
1814 C CE1  . PHE   A 125 ? 0.504424 0.719709 0.617378 0.0929071   -0.0338946  0.100957    137 PHE   B CE1  
1815 C CE2  . PHE   A 125 ? 0.500779 0.803461 0.679027 0.0765733   -0.0330882  0.101101    137 PHE   B CE2  
1816 C CZ   . PHE   A 125 ? 0.51338  0.780375 0.660014 0.0831118   -0.0445836  0.10229     137 PHE   B CZ   
1817 H H    . PHE   A 125 ? 0.57789  0.771361 0.698282 0.157006    0.0198187   0.0995891   137 PHE   B H    
1818 H HA   . PHE   A 125 ? 0.573633 0.762765 0.683677 0.126978    0.047136    0.0854382   137 PHE   B HA   
1819 H HB2  . PHE   A 125 ? 0.539527 0.766995 0.671562 0.0842422   0.0254506   0.0883918   137 PHE   B HB2  
1820 H HB3  . PHE   A 125 ? 0.548337 0.718567 0.640717 0.0906175   0.0197179   0.0848364   137 PHE   B HB3  
1821 H HD1  . PHE   A 125 ? 0.541402 0.702471 0.625814 0.100952    -0.00836707 0.0942248   137 PHE   B HD1  
1822 H HD2  . PHE   A 125 ? 0.50698  0.815898 0.697287 0.0769171   -0.00125992 0.0981523   137 PHE   B HD2  
1823 H HE1  . PHE   A 125 ? 0.525527 0.717617 0.618321 0.096042    -0.0402618  0.102842    137 PHE   B HE1  
1824 H HE2  . PHE   A 125 ? 0.499299 0.839083 0.703634 0.0681865   -0.0403862  0.102317    137 PHE   B HE2  
1825 H HZ   . PHE   A 125 ? 0.509856 0.788831 0.658288 0.0812759   -0.0596014  0.104373    137 PHE   B HZ   
1826 N N    . LYS   A 126 ? 0.603897 0.905263 0.793557 0.130051    0.054798    0.0958363   138 LYS   B N    
1827 C CA   . LYS   A 126 ? 0.551089 0.917674 0.788769 0.141205    0.0654244   0.101577    138 LYS   B CA   
1828 C C    . LYS   A 126 ? 0.516886 0.913531 0.772837 0.110616    0.0729129   0.102311    138 LYS   B C    
1829 O O    . LYS   A 126 ? 0.480499 0.839437 0.703836 0.0944576   0.0816321   0.0974278   138 LYS   B O    
1830 C CB   . LYS   A 126 ? 0.511735 0.873131 0.745634 0.174427    0.0882436   0.099621    138 LYS   B CB   
1831 H H    . LYS   A 126 ? 0.574434 0.853204 0.74446  0.11719     0.0608101   0.0914295   138 LYS   B H    
1832 H HA   . LYS   A 126 ? 0.539175 0.934394 0.800248 0.14627     0.0517687   0.106542    138 LYS   B HA   
1835 N N    . GLY   A 127 ? 0.525967 0.989176 0.833616 0.101298    0.0675864   0.108905    139 GLY   B N    
1836 C CA   . GLY   A 127 ? 0.521093 1.01445  0.850757 0.0693709   0.0742596   0.111351    139 GLY   B CA   
1837 C C    . GLY   A 127 ? 0.574136 1.08186  0.908465 0.0764612   0.107048    0.113062    139 GLY   B C    
1838 O O    . GLY   A 127 ? 0.647785 1.18248  1.00077  0.10646     0.120791    0.114658    139 GLY   B O    
1839 H H    . GLY   A 127 ? 0.521915 1.01253  0.852268 0.11483     0.0590257   0.112299    139 GLY   B H    
1840 H HA2  . GLY   A 127 ? 0.523383 0.981808 0.826423 0.0506497   0.0676037   0.108103    139 GLY   B HA2  
1841 H HA3  . GLY   A 127 ? 0.52055  1.05911  0.887598 0.0618622   0.0639593   0.115294    139 GLY   B HA3  
1842 N N    . GLU   A 128 ? 0.604506 1.09506  0.921346 0.0506099   0.119474    0.113396    140 GLU   B N    
1843 C CA   . GLU   A 128 ? 0.634593 1.12879  0.942962 0.0559142   0.151971    0.115315    140 GLU   B CA   
1844 C C    . GLU   A 128 ? 0.638848 1.21334  1.00772  0.0671496   0.170305    0.123313    140 GLU   B C    
1845 O O    . GLU   A 128 ? 0.802866 1.40033  1.18157  0.0540136   0.19515     0.129276    140 GLU   B O    
1846 C CB   . GLU   A 128 ? 0.584977 1.05393  0.869242 0.0230585   0.159851    0.117911    140 GLU   B CB   
1847 O OXT  . GLU   A 128 ? 0.592284 1.20447  0.995743 0.0905828   0.16096     0.124151    140 GLU   B OXT  
1848 H H    . GLU   A 128 ? 0.590658 1.06489  0.898135 0.0295163   0.107318    0.11266     140 GLU   B H    
1849 H HA   . GLU   A 128 ? 0.633901 1.09311  0.910189 0.0758475   0.158461    0.109721    140 GLU   B HA   
1852 N N    . GLY   B 1   ? 0.573862 0.890319 0.582501 0.208922    -0.105992   0.16942     13  GLY   A N    
1853 C CA   . GLY   B 1   ? 0.563514 0.819444 0.583979 0.210441    -0.0839695  0.162152    13  GLY   A CA   
1854 C C    . GLY   B 1   ? 0.572491 0.791496 0.548517 0.191639    -0.0770843  0.152162    13  GLY   A C    
1855 O O    . GLY   B 1   ? 0.570323 0.806887 0.50775  0.175797    -0.0870154  0.14416     13  GLY   A O    
1856 H H1   . GLY   B 1   ? 0.575698 0.917294 0.614557 0.22109     -0.110385   0.175883    13  GLY   A H1   
1857 H H2   . GLY   B 1   ? 0.562436 0.888635 0.554881 0.191034    -0.11015    0.149973    13  GLY   A H2   
1858 H H3   . GLY   B 1   ? 0.59451  0.9159   0.582501 0.213294    -0.111459   0.186792    13  GLY   A H3   
1859 H HA2  . GLY   B 1   ? 0.581189 0.824362 0.621538 0.228711    -0.0788352  0.182309    13  GLY   A HA2  
1860 H HA3  . GLY   B 1   ? 0.547062 0.800463 0.58686  0.205462    -0.0784156  0.143256    13  GLY   A HA3  
1861 N N    . ALA   B 2   ? 0.551533 0.720297 0.537749 0.194292    -0.0593864  0.151495    14  ALA   A N    
1862 C CA   . ALA   B 2   ? 0.518638 0.650934 0.476076 0.177821    -0.0500336  0.138623    14  ALA   A CA   
1863 C C    . ALA   B 2   ? 0.455298 0.59613  0.386842 0.15391     -0.0566777  0.10922     14  ALA   A C    
1864 O O    . ALA   B 2   ? 0.494721 0.63268  0.390947 0.14302     -0.0587392  0.105317    14  ALA   A O    
1865 C CB   . ALA   B 2   ? 0.511736 0.598766 0.496829 0.180259    -0.0327978  0.131647    14  ALA   A CB   
1866 H H    . ALA   B 2   ? 0.553008 0.710832 0.56827  0.207268    -0.0528831  0.158883    14  ALA   A H    
1867 H HA   . ALA   B 2   ? 0.533609 0.665123 0.471234 0.180613    -0.0501341  0.154387    14  ALA   A HA   
1868 H HB1  . ALA   B 2   ? 0.528224 0.60047  0.522632 0.191349    -0.0265136  0.150492    14  ALA   A HB1  
1869 H HB2  . ALA   B 2   ? 0.50219  0.593629 0.511016 0.183381    -0.0317547  0.122301    14  ALA   A HB2  
1870 H HB3  . ALA   B 2   ? 0.499448 0.568439 0.470287 0.167222    -0.0287551  0.117379    14  ALA   A HB3  
1871 N N    . PRO   B 3   ? 0.450934 0.601946 0.398381 0.144894    -0.0589208  0.0888053   15  PRO   A N    
1872 C CA   . PRO   B 3   ? 0.479037 0.633985 0.404078 0.121581    -0.0646986  0.065322    15  PRO   A CA   
1873 C C    . PRO   B 3   ? 0.477497 0.666563 0.375149 0.113631    -0.0795875  0.0656975   15  PRO   A C    
1874 O O    . PRO   B 3   ? 0.536131 0.712783 0.403798 0.098109    -0.0810109  0.0522177   15  PRO   A O    
1875 C CB   . PRO   B 3   ? 0.446552 0.614416 0.39723  0.115895    -0.0633872  0.0507263   15  PRO   A CB   
1876 C CG   . PRO   B 3   ? 0.482455 0.632356 0.466156 0.134393    -0.0506781  0.0580056   15  PRO   A CG   
1877 C CD   . PRO   B 3   ? 0.493175 0.647954 0.481299 0.154911    -0.0529132  0.0851911   15  PRO   A CD   
1878 H HA   . PRO   B 3   ? 0.46078  0.586444 0.374097 0.114843    -0.0583045  0.0585255   15  PRO   A HA   
1879 H HB2  . PRO   B 3   ? 0.460005 0.66218  0.417475 0.115465    -0.0717768  0.0514563   15  PRO   A HB2  
1880 H HB3  . PRO   B 3   ? 0.448776 0.601798 0.389318 0.101319    -0.0613501  0.0365484   15  PRO   A HB3  
1881 H HG2  . PRO   B 3   ? 0.466325 0.633838 0.471374 0.136922    -0.0493984  0.0524075   15  PRO   A HG2  
1882 H HG3  . PRO   B 3   ? 0.466196 0.585549 0.446393 0.130047    -0.0426838  0.0512785   15  PRO   A HG3  
1883 H HD2  . PRO   B 3   ? 0.488418 0.674493 0.491005 0.16395     -0.0598673  0.0934049   15  PRO   A HD2  
1884 H HD3  . PRO   B 3   ? 0.486488 0.616356 0.489471 0.164602    -0.0431871  0.0913848   15  PRO   A HD3  
1885 N N    . ALA   B 4   ? 0.513867 0.746672 0.422173 0.125133    -0.0910401  0.0808293   16  ALA   A N    
1886 C CA   . ALA   B 4   ? 0.496561 0.769861 0.378778 0.11525     -0.107985   0.078249    16  ALA   A CA   
1887 C C    . ALA   B 4   ? 0.550121 0.81057  0.391491 0.115856    -0.106563   0.0862076   16  ALA   A C    
1888 O O    . ALA   B 4   ? 0.532183 0.805098 0.341193 0.0993523   -0.114281   0.0701283   16  ALA   A O    
1889 C CB   . ALA   B 4   ? 0.57293  0.901786 0.480403 0.129833    -0.122371   0.0956473   16  ALA   A CB   
1890 H H    . ALA   B 4   ? 0.498985 0.738    0.432141 0.139327    -0.0889194  0.0922417   16  ALA   A H    
1891 H HA   . ALA   B 4   ? 0.512559 0.786683 0.388553 0.0974763   -0.110558   0.0584201   16  ALA   A HA   
1892 H HB1  . ALA   B 4   ? 0.535849 0.874022 0.470833 0.129139    -0.120955   0.0885516   16  ALA   A HB1  
1893 H HB2  . ALA   B 4   ? 0.562206 0.887945 0.477167 0.148107    -0.120024   0.117242    16  ALA   A HB2  
1894 H HB3  . ALA   B 4   ? 0.565257 0.925099 0.455416 0.12163     -0.135327   0.0924659   16  ALA   A HB3  
1895 N N    . THR   B 5   ? 0.503181 0.740863 0.346984 0.13397     -0.0956925  0.11024     17  THR   A N    
1896 C CA   . THR   B 5   ? 0.56063  0.788913 0.367157 0.134653    -0.0906641  0.120193    17  THR   A CA   
1897 C C    . THR   B 5   ? 0.537476 0.728949 0.324428 0.116583    -0.0796942  0.0922997   17  THR   A C    
1898 O O    . THR   B 5   ? 0.57338  0.769476 0.322711 0.107683    -0.0794051  0.0832572   17  THR   A O    
1899 C CB   . THR   B 5   ? 0.577946 0.784805 0.398323 0.155607    -0.0782753  0.15325     17  THR   A CB   
1900 O OG1  . THR   B 5   ? 0.616841 0.855492 0.460135 0.175015    -0.0890824  0.181061    17  THR   A OG1  
1901 C CG2  . THR   B 5   ? 0.603399 0.803252 0.384151 0.154685    -0.0697382  0.165567    17  THR   A CG2  
1902 H H    . THR   B 5   ? 0.51485  0.742943 0.385354 0.145555    -0.0902592  0.12018     17  THR   A H    
1903 H HA   . THR   B 5   ? 0.573181 0.834645 0.358849 0.132525    -0.102332   0.12324     17  THR   A HA   
1904 H HB   . THR   B 5   ? 0.561954 0.737075 0.40409  0.15636     -0.0672596  0.147709    17  THR   A HB   
1906 H HG21 . THR   B 5   ? 0.619507 0.813119 0.408995 0.167913    -0.0642563  0.191426    17  THR   A HG21 
1907 H HG22 . THR   B 5   ? 0.623751 0.85373  0.376498 0.149525    -0.0800309  0.163263    17  THR   A HG22 
1908 H HG23 . THR   B 5   ? 0.594459 0.767207 0.369851 0.145732    -0.0589648  0.149844    17  THR   A HG23 
1909 N N    . VAL   B 6   ? 0.52564  0.681982 0.337688 0.112534    -0.0702181  0.0793973   18  VAL   A N    
1910 C CA   . VAL   B 6   ? 0.513866 0.637181 0.312635 0.0975334   -0.0621872  0.0556804   18  VAL   A CA   
1911 C C    . VAL   B 6   ? 0.522311 0.660168 0.301421 0.078071    -0.0733272  0.0302152   18  VAL   A C    
1912 O O    . VAL   B 6   ? 0.545571 0.671555 0.299251 0.069349    -0.0695748  0.0152229   18  VAL   A O    
1913 C CB   . VAL   B 6   ? 0.472239 0.558433 0.298359 0.0957789   -0.0525105  0.0478967   18  VAL   A CB   
1914 C CG1  . VAL   B 6   ? 0.478211 0.533963 0.291795 0.0840046   -0.0460593  0.0289553   18  VAL   A CG1  
1915 C CG2  . VAL   B 6   ? 0.478703 0.548241 0.327928 0.111746    -0.0412596  0.068047    18  VAL   A CG2  
1916 H H    . VAL   B 6   ? 0.507355 0.660965 0.344922 0.119431    -0.0688646  0.0851028   18  VAL   A H    
1917 H HA   . VAL   B 6   ? 0.526568 0.641669 0.309577 0.100389    -0.0550676  0.0606436   18  VAL   A HA   
1918 H HB   . VAL   B 6   ? 0.466004 0.560935 0.304704 0.0913185   -0.0582512  0.0415244   18  VAL   A HB   
1919 H HG11 . VAL   B 6   ? 0.490916 0.544873 0.289095 0.0866233   -0.0408088  0.0317257   18  VAL   A HG11 
1920 H HG12 . VAL   B 6   ? 0.476529 0.536402 0.282574 0.0729275   -0.0526989  0.0149498   18  VAL   A HG12 
1921 H HG13 . VAL   B 6   ? 0.46154  0.496414 0.291463 0.0849508   -0.0403353  0.028126    18  VAL   A HG13 
1922 H HG21 . VAL   B 6   ? 0.461655 0.508453 0.324067 0.108746    -0.0353179  0.0604976   18  VAL   A HG21 
1923 H HG22 . VAL   B 6   ? 0.475696 0.560194 0.339818 0.119905    -0.0449927  0.0779549   18  VAL   A HG22 
1924 H HG23 . VAL   B 6   ? 0.491195 0.55821  0.328473 0.116497    -0.035853   0.0785359   18  VAL   A HG23 
1925 N N    . THR   B 7   ? 0.566    0.73076  0.359129 0.0710167   -0.0857402  0.0245732   19  THR   A N    
1926 C CA   . THR   B 7   ? 0.63991  0.824412 0.417802 0.0506587   -0.0976544  0.00233991  19  THR   A CA   
1927 C C    . THR   B 7   ? 0.654299 0.864196 0.394902 0.0484099   -0.10438    -0.00083585 19  THR   A C    
1928 O O    . THR   B 7   ? 0.706776 0.906288 0.426043 0.0317322   -0.104763   -0.0259302  19  THR   A O    
1929 C CB   . THR   B 7   ? 0.673807 0.897871 0.476297 0.0461836   -0.110154   0.00327989  19  THR   A CB   
1930 O OG1  . THR   B 7   ? 0.574785 0.776216 0.405239 0.0453007   -0.101753   0.0020528   19  THR   A OG1  
1931 C CG2  . THR   B 7   ? 0.691867 0.938139 0.483785 0.0214793   -0.122608   -0.0203883  19  THR   A CG2  
1932 H H    . THR   B 7   ? 0.552205 0.723585 0.367311 0.0785135   -0.0859926  0.0339564   19  THR   A H    
1933 H HA   . THR   B 7   ? 0.626404 0.783526 0.402974 0.040091    -0.0929105  -0.0124128  19  THR   A HA   
1934 H HB   . THR   B 7   ? 0.65398  0.905545 0.462924 0.0591218   -0.115289   0.0196068   19  THR   A HB   
1936 H HG21 . THR   B 7   ? 0.679452 0.944867 0.492674 0.016463    -0.127144   -0.021069   19  THR   A HG21 
1937 H HG22 . THR   B 7   ? 0.694207 0.909751 0.476637 0.0102296   -0.117189   -0.0351615  19  THR   A HG22 
1938 H HG23 . THR   B 7   ? 0.711157 0.984006 0.485665 0.0213675   -0.131223   -0.02038    19  THR   A HG23 
1939 N N    . GLU   B 8   ? 0.656187 0.893171 0.387608 0.0658593   -0.107095   0.0249314   20  GLU   A N    
1940 C CA   . GLU   B 8   ? 0.700159 0.973299 0.392036 0.0641082   -0.116099   0.026176    20  GLU   A CA   
1941 C C    . GLU   B 8   ? 0.706935 0.95406  0.3655   0.0669482   -0.099328   0.0249722   20  GLU   A C    
1942 O O    . GLU   B 8   ? 0.732598 0.998791 0.351433 0.0573648   -0.10218    0.00987841  20  GLU   A O    
1943 C CB   . GLU   B 8   ? 0.68459  1.00822  0.382136 0.0810617   -0.130641   0.0584864   20  GLU   A CB   
1944 H H    . GLU   B 8   ? 0.646683 0.879544 0.397146 0.0791954   -0.103238   0.0430131   20  GLU   A H    
1945 H HA   . GLU   B 8   ? 0.701793 0.988586 0.383967 0.0481831   -0.124828   0.00469215  20  GLU   A HA   
1948 N N    . GLN   B 9   ? 0.610018 0.820014 0.28409  0.080158    -0.0814406  0.0412937   21  GLN   A N    
1949 C CA   . GLN   B 9   ? 0.673674 0.868317 0.32258  0.0851004   -0.0642316  0.0469659   21  GLN   A CA   
1950 C C    . GLN   B 9   ? 0.627253 0.771569 0.293625 0.0814889   -0.0464159  0.0297491   21  GLN   A C    
1951 O O    . GLN   B 9   ? 0.697644 0.829199 0.348607 0.0840091   -0.0297982  0.029372    21  GLN   A O    
1952 C CB   . GLN   B 9   ? 0.671081 0.875633 0.318732 0.104004    -0.0580123  0.0879422   21  GLN   A CB   
1953 H H    . GLN   B 9   ? 0.613144 0.80934  0.315641 0.0857022   -0.0795981  0.0488771   21  GLN   A H    
1954 H HA   . GLN   B 9   ? 0.685207 0.897897 0.302868 0.0769769   -0.0672991  0.0335118   21  GLN   A HA   
1957 N N    . GLY   B 10  ? 0.602133 0.72158  0.302344 0.0773361   -0.0489831  0.01993     22  GLY   A N    
1958 C CA   . GLY   B 10  ? 0.581432 0.658062 0.301681 0.0774085   -0.034543   0.0115837   22  GLY   A CA   
1959 C C    . GLY   B 10  ? 0.616366 0.675284 0.320357 0.0663524   -0.0283802  -0.018324   22  GLY   A C    
1960 O O    . GLY   B 10  ? 0.617541 0.687018 0.306002 0.0533941   -0.038767   -0.0391685  22  GLY   A O    
1961 H H    . GLY   B 10  ? 0.589347 0.720989 0.299802 0.0741389   -0.0598118  0.0186926   22  GLY   A H    
1962 H HA2  . GLY   B 10  ? 0.585936 0.656205 0.310832 0.0865873   -0.0243664  0.0269971   22  GLY   A HA2  
1963 H HA3  . GLY   B 10  ? 0.562345 0.627738 0.305478 0.0759757   -0.0384558  0.0107277   22  GLY   A HA3  
1964 N N    . GLU   B 11  ? 0.552312 0.583315 0.268017 0.0715265   -0.0119494  -0.0204307  23  GLU   A N    
1965 C CA   . GLU   B 11  ? 0.569176 0.578985 0.279919 0.0658812   -0.00293588 -0.0473385  23  GLU   A CA   
1966 C C    . GLU   B 11  ? 0.541932 0.52105  0.281112 0.0594412   -0.0101504  -0.058393   23  GLU   A C    
1967 O O    . GLU   B 11  ? 0.478504 0.447157 0.244523 0.0632016   -0.0132664  -0.0434538  23  GLU   A O    
1968 C CB   . GLU   B 11  ? 0.607644 0.612048 0.318307 0.0753913   0.0187119   -0.0434728  23  GLU   A CB   
1969 H H    . GLU   B 11  ? 0.55405  0.57951  0.284613 0.0792844   -0.00598407 -0.00456947 23  GLU   A H    
1970 H HA   . GLU   B 11  ? 0.596835 0.619941 0.283683 0.0589128   -0.00677888 -0.0616257  23  GLU   A HA   
1973 N N    . ASP   B 12  ? 0.548501 0.514578 0.279497 0.0482797   -0.0135448  -0.084568   24  ASP   A N    
1974 C CA   . ASP   B 12  ? 0.550193 0.483753 0.305664 0.0417245   -0.0191426  -0.0926806  24  ASP   A CA   
1975 C C    . ASP   B 12  ? 0.54575  0.450013 0.32459  0.0519182   -0.00650064 -0.0953516  24  ASP   A C    
1976 O O    . ASP   B 12  ? 0.577302 0.471963 0.351076 0.0549943   0.00547003  -0.114221   24  ASP   A O    
1977 C CB   . ASP   B 12  ? 0.574129 0.500835 0.316128 0.0251495   -0.0265345  -0.118457   24  ASP   A CB   
1978 C CG   . ASP   B 12  ? 0.567639 0.458008 0.333543 0.0160701   -0.0326293  -0.123316   24  ASP   A CG   
1979 O OD1  . ASP   B 12  ? 0.57233  0.444908 0.362343 0.0240528   -0.0316529  -0.1074     24  ASP   A OD1  
1980 O OD2  . ASP   B 12  ? 0.58692  0.466154 0.346641 2.94e-05    -0.0379932  -0.143775   24  ASP   A OD2  
1981 H H    . ASP   B 12  ? 0.579817 0.556987 0.289141 0.0442622   -0.0122062  -0.0972784  24  ASP   A H    
1982 H HA   . ASP   B 12  ? 0.523916 0.460352 0.291185 0.0409379   -0.0264294  -0.079356   24  ASP   A HA   
1983 H HB2  . ASP   B 12  ? 0.575998 0.526822 0.305262 0.0184552   -0.0352566  -0.116718   24  ASP   A HB2  
1984 H HB3  . ASP   B 12  ? 0.599836 0.523272 0.329617 0.0258828   -0.0184693  -0.134661   24  ASP   A HB3  
1985 N N    . ILE   B 13  ? 0.516509 0.411322 0.322101 0.0579052   -0.0084617  -0.0775439  25  ILE   A N    
1986 C CA   . ILE   B 13  ? 0.537569 0.413041 0.370279 0.0681037   0.00079499  -0.0772039  25  ILE   A CA   
1987 C C    . ILE   B 13  ? 0.549783 0.394358 0.40422  0.0646297   -0.00825588 -0.0809868  25  ILE   A C    
1988 O O    . ILE   B 13  ? 0.595183 0.427801 0.477777 0.0739214   -0.00545816 -0.0757204  25  ILE   A O    
1989 C CB   . ILE   B 13  ? 0.490568 0.378291 0.340728 0.0765191   0.00488855  -0.0559846  25  ILE   A CB   
1990 C CG1  . ILE   B 13  ? 0.469782 0.357991 0.329772 0.071667    -0.00860717 -0.042002   25  ILE   A CG1  
1991 C CG2  . ILE   B 13  ? 0.508099 0.420681 0.33983  0.0814801   0.0169228   -0.0484269  25  ILE   A CG2  
1992 C CD1  . ILE   B 13  ? 0.480892 0.374901 0.363336 0.0780285   -0.00482584 -0.0265875  25  ILE   A CD1  
1993 H H    . ILE   B 13  ? 0.504891 0.407303 0.313226 0.0555177   -0.0158651  -0.0664434  25  ILE   A H    
1994 H HA   . ILE   B 13  ? 0.5496   0.425535 0.376495 0.0719703   0.0113019   -0.0884454  25  ILE   A HA   
1995 H HB   . ILE   B 13  ? 0.49563  0.373951 0.365852 0.0821979   0.0100703   -0.0570752  25  ILE   A HB   
1996 H HG12 . ILE   B 13  ? 0.475787 0.375972 0.320155 0.0671652   -0.0132722  -0.0402405  25  ILE   A HG12 
1997 H HG13 . ILE   B 13  ? 0.475498 0.348964 0.343181 0.0676306   -0.0157086  -0.0455515  25  ILE   A HG13 
1998 H HG21 . ILE   B 13  ? 0.493036 0.408435 0.340365 0.0864348   0.0219734   -0.0363689  25  ILE   A HG21 
1999 H HG22 . ILE   B 13  ? 0.506405 0.431511 0.321075 0.0776171   0.0104937   -0.0441666  25  ILE   A HG22 
2000 H HG23 . ILE   B 13  ? 0.526032 0.440144 0.348044 0.0833093   0.0262545   -0.0594998  25  ILE   A HG23 
2001 H HD11 . ILE   B 13  ? 0.470739 0.357945 0.370138 0.0823624   3.602e-05   -0.0283118  25  ILE   A HD11 
2002 H HD12 . ILE   B 13  ? 0.457759 0.35042  0.345809 0.0741727   -0.0132632  -0.0220499  25  ILE   A HD12 
2003 H HD13 . ILE   B 13  ? 0.471819 0.378443 0.347259 0.0811644   0.00143903  -0.0198441  25  ILE   A HD13 
2004 N N    . THR   B 14  ? 0.572929 0.405891 0.416797 0.0511959   -0.0189272  -0.0886144  26  THR   A N    
2005 C CA   . THR   B 14  ? 0.557703 0.356623 0.419602 0.0468499   -0.026006   -0.0904529  26  THR   A CA   
2006 C C    . THR   B 14  ? 0.595565 0.367901 0.466561 0.0526949   -0.0158124  -0.11222    26  THR   A C    
2007 O O    . THR   B 14  ? 0.625726 0.406485 0.478262 0.0524214   -0.00524527 -0.133244   26  THR   A O    
2008 C CB   . THR   B 14  ? 0.533996 0.328737 0.385541 0.0282176   -0.0389982  -0.0878878  26  THR   A CB   
2009 O OG1  . THR   B 14  ? 0.56884  0.367534 0.399795 0.0181908   -0.036441   -0.110164   26  THR   A OG1  
2010 C CG2  . THR   B 14  ? 0.492167 0.313913 0.33963  0.0247074   -0.0463844  -0.0690547  26  THR   A CG2  
2011 H H    . THR   B 14  ? 0.566132 0.413358 0.392312 0.0441387   -0.0220631  -0.091365   26  THR   A H    
2012 H HA   . THR   B 14  ? 0.544317 0.340418 0.423216 0.0529621   -0.0284722  -0.0774826  26  THR   A HA   
2013 H HB   . THR   B 14  ? 0.550288 0.320685 0.414613 0.0258953   -0.0429778  -0.0848754  26  THR   A HB   
2015 H HG21 . THR   B 14  ? 0.498881 0.320985 0.341165 0.0126224   -0.0528398  -0.0683535  26  THR   A HG21 
2016 H HG22 . THR   B 14  ? 0.486131 0.329845 0.324099 0.0285274   -0.042832   -0.0693054  26  THR   A HG22 
2017 H HG23 . THR   B 14  ? 0.481699 0.299327 0.342357 0.0306065   -0.0477993  -0.0577409  26  THR   A HG23 
2018 N N    . SER   B 15  ? 0.647407 0.389553 0.548308 0.0598755   -0.0183028  -0.107065   27  SER   A N    
2019 C CA   . SER   B 15  ? 0.708459 0.419445 0.626763 0.0677456   -0.00849674 -0.127756   27  SER   A CA   
2020 C C    . SER   B 15  ? 0.744079 0.429656 0.647726 0.0503807   -0.0117158  -0.146634   27  SER   A C    
2021 O O    . SER   B 15  ? 0.783991 0.456592 0.68329  0.0507906   0.00016214  -0.176158   27  SER   A O    
2022 C CB   . SER   B 15  ? 0.698812 0.386976 0.658542 0.0831151   -0.0116966  -0.113902   27  SER   A CB   
2023 O OG   . SER   B 15  ? 0.727531 0.445895 0.701755 0.0958146   -0.00915231 -0.099316   27  SER   A OG   
2024 H H    . SER   B 15  ? 0.624666 0.36603  0.53615  0.0605184   -0.0263358  -0.0904374  27  SER   A H    
2025 H HA   . SER   B 15  ? 0.705553 0.430381 0.618226 0.0744067   0.00377142  -0.140502   27  SER   A HA   
2026 H HB2  . SER   B 15  ? 0.715935 0.390039 0.679253 0.0766123   -0.0236949  -0.0998261  27  SER   A HB2  
2027 H HB3  . SER   B 15  ? 0.742966 0.411414 0.717107 0.0904788   -0.00345362 -0.128961   27  SER   A HB3  
2029 N N    . LYS   B 16  ? 0.688635 0.370969 0.583826 0.0334021   -0.0262363  -0.132071   28  LYS   A N    
2030 C CA   . LYS   B 16  ? 0.814714 0.477281 0.698521 0.0120887   -0.0304022  -0.147667   28  LYS   A CA   
2031 C C    . LYS   B 16  ? 0.767516 0.462399 0.618145 -0.00062889 -0.0278644  -0.170261   28  LYS   A C    
2032 O O    . LYS   B 16  ? 0.817419 0.498424 0.660279 -0.0185607  -0.0295591  -0.191263   28  LYS   A O    
2033 C CB   . LYS   B 16  ? 0.83024  0.488753 0.713623 -0.00543958 -0.0448647  -0.124605   28  LYS   A CB   
2034 C CG   . LYS   B 16  ? 0.919898 0.54256  0.829283 -0.00122121 -0.0516266  -0.100264   28  LYS   A CG   
2035 C CD   . LYS   B 16  ? 1.0426   0.655411 0.945589 -0.0260357  -0.061329   -0.0868052  28  LYS   A CD   
2036 C CE   . LYS   B 16  ? 1.03495  0.649354 0.943862 -0.0245352  -0.0714297  -0.050942   28  LYS   A CE   
2037 N NZ   . LYS   B 16  ? 1.09269  0.668303 1.02942  -0.00790572 -0.0732531  -0.0378692  28  LYS   A NZ   
2038 H H    . LYS   B 16  ? 0.694223 0.388071 0.591868 0.0341302   -0.0331969  -0.11242    28  LYS   A H    
2039 H HA   . LYS   B 16  ? 0.820541 0.450697 0.71922  0.0148697   -0.0255024  -0.160177   28  LYS   A HA   
2040 H HB2  . LYS   B 16  ? 0.809957 0.499521 0.682562 -0.00567329 -0.0486149  -0.11263    28  LYS   A HB2  
2041 H HB3  . LYS   B 16  ? 0.862393 0.515144 0.737264 -0.0214745  -0.0463276  -0.137248   28  LYS   A HB3  
2042 H HG2  . LYS   B 16  ? 0.951142 0.543329 0.877341 0.00610309  -0.046679   -0.10962    28  LYS   A HG2  
2043 H HG3  . LYS   B 16  ? 0.898407 0.53628  0.812593 0.00967019  -0.0544127  -0.0836096  28  LYS   A HG3  
2044 H HD2  . LYS   B 16  ? 1.00125  0.641472 0.886893 -0.0373346  -0.0622237  -0.0935013  28  LYS   A HD2  
2045 H HD3  . LYS   B 16  ? 1.05348  0.632728 0.965781 -0.0333465  -0.0596023  -0.0958847  28  LYS   A HD3  
2046 H HE2  . LYS   B 16  ? 1.00645  0.651914 0.907815 -0.0176994  -0.0726298  -0.0444536  28  LYS   A HE2  
2047 H HE3  . LYS   B 16  ? 1.04982  0.661305 0.952594 -0.0415202  -0.0755545  -0.0426273  28  LYS   A HE3  
2048 H HZ1  . LYS   B 16  ? 1.06555  0.651463 1.00964  0.00811536  -0.0703958  -0.0410431  28  LYS   A HZ1  
2049 H HZ2  . LYS   B 16  ? 1.11398  0.658521 1.06088  -0.0105867  -0.0697678  -0.0481564  28  LYS   A HZ2  
2050 H HZ3  . LYS   B 16  ? 1.08258  0.655612 1.02055  -0.0107652  -0.0807973  -0.0156898  28  LYS   A HZ3  
2051 N N    . LYS   B 17  ? 0.735223 0.473079 0.567481 0.00769643  -0.0246212  -0.165326   29  LYS   A N    
2052 C CA   . LYS   B 17  ? 0.733297 0.508394 0.532879 -0.00330584 -0.0260966  -0.179359   29  LYS   A CA   
2053 C C    . LYS   B 17  ? 0.753152 0.539969 0.546079 -0.0258998  -0.0410001  -0.175143   29  LYS   A C    
2054 O O    . LYS   B 17  ? 0.711835 0.508924 0.488029 -0.0427467  -0.0443221  -0.198201   29  LYS   A O    
2055 C CB   . LYS   B 17  ? 0.800041 0.568569 0.585673 -0.00169045 -0.0127062  -0.214484   29  LYS   A CB   
2056 C CG   . LYS   B 17  ? 0.797644 0.579369 0.582759 0.0200249   0.00340553  -0.213108   29  LYS   A CG   
2057 C CD   . LYS   B 17  ? 0.797022 0.623563 0.566664 0.02665     0.00082978  -0.186539   29  LYS   A CD   
2058 C CE   . LYS   B 17  ? 0.858785 0.717871 0.604185 0.0363873   0.0148311   -0.189951   29  LYS   A CE   
2059 N NZ   . LYS   B 17  ? 0.878369 0.723071 0.628045 0.0460316   0.0348564   -0.214196   29  LYS   A NZ   
2060 H H    . LYS   B 17  ? 0.712703 0.45759  0.553779 0.0202969   -0.0220539  -0.151694   29  LYS   A H    
2061 H HA   . LYS   B 17  ? 0.718673 0.520645 0.511075 0.00536822  -0.024933   -0.166205   29  LYS   A HA   
2062 H HB2  . LYS   B 17  ? 0.822009 0.556077 0.622286 -0.00492788 -0.0103081  -0.227794   29  LYS   A HB2  
2063 H HB3  . LYS   B 17  ? 0.807422 0.598533 0.569916 -0.0128021  -0.0163134  -0.226577   29  LYS   A HB3  
2064 H HG2  . LYS   B 17  ? 0.799384 0.558301 0.610514 0.0306176   0.00727328  -0.206031   29  LYS   A HG2  
2065 H HG3  . LYS   B 17  ? 0.836291 0.620117 0.607037 0.0191743   0.0126103   -0.236988   29  LYS   A HG3  
2066 H HD2  . LYS   B 17  ? 0.790282 0.632754 0.547685 0.0157101   -0.0102269  -0.181867   29  LYS   A HD2  
2067 H HD3  . LYS   B 17  ? 0.771274 0.590843 0.561551 0.0344985   -0.000872   -0.167071   29  LYS   A HD3  
2068 H HE2  . LYS   B 17  ? 0.855233 0.737221 0.574006 0.0276359   0.0101452   -0.196399   29  LYS   A HE2  
2069 H HE3  . LYS   B 17  ? 0.814038 0.685756 0.566246 0.0447719   0.0155614   -0.168004   29  LYS   A HE3  
2070 H HZ1  . LYS   B 17  ? 0.912484 0.751803 0.648625 0.03796     0.0361558   -0.237598   29  LYS   A HZ1  
2071 H HZ2  . LYS   B 17  ? 0.874865 0.695923 0.652489 0.0531899   0.037334    -0.211377   29  LYS   A HZ2  
2072 H HZ3  . LYS   B 17  ? 0.880844 0.746686 0.619777 0.0529861   0.0442067   -0.20915    29  LYS   A HZ3  
2073 N N    . ASP   B 18  ? 0.667382 0.457882 0.473506 -0.0267519  -0.049258   -0.147087   30  ASP   A N    
2074 C CA   . ASP   B 18  ? 0.644265 0.451145 0.448971 -0.0465805  -0.0606273  -0.13946    30  ASP   A CA   
2075 C C    . ASP   B 18  ? 0.572466 0.429943 0.36798  -0.0424787  -0.0658131  -0.123118   30  ASP   A C    
2076 O O    . ASP   B 18  ? 0.565015 0.440734 0.365361 -0.055246   -0.073394   -0.113347   30  ASP   A O    
2077 C CB   . ASP   B 18  ? 0.641474 0.415469 0.466685 -0.0534173  -0.0644387  -0.121508   30  ASP   A CB   
2078 C CG   . ASP   B 18  ? 0.638419 0.411104 0.474707 -0.0355425  -0.0638807  -0.095756   30  ASP   A CG   
2079 O OD1  . ASP   B 18  ? 0.572545 0.372907 0.403521 -0.0202019  -0.0606638  -0.0902397  30  ASP   A OD1  
2080 O OD2  . ASP   B 18  ? 0.691673 0.436768 0.54153  -0.03792    -0.0669992  -0.0812553  30  ASP   A OD2  
2081 H H    . ASP   B 18  ? 0.657932 0.442821 0.474757 -0.0146138  -0.0469612  -0.133073   30  ASP   A H    
2082 H HA   . ASP   B 18  ? 0.665378 0.472115 0.463081 -0.0602822  -0.0624762  -0.157617   30  ASP   A HA   
2083 H HB2  . ASP   B 18  ? 0.647191 0.434112 0.471367 -0.068114   -0.070076   -0.117279   30  ASP   A HB2  
2084 H HB3  . ASP   B 18  ? 0.677535 0.417507 0.510937 -0.0564076  -0.0617918  -0.131083   30  ASP   A HB3  
2085 N N    . ARG   B 19  ? 0.576327 0.456915 0.360323 -0.0252573  -0.0604826  -0.120651   31  ARG   A N    
2086 C CA   . ARG   B 19  ? 0.543026 0.466194 0.321924 -0.0171364  -0.0638533  -0.103524   31  ARG   A CA   
2087 C C    . ARG   B 19  ? 0.534729 0.457444 0.332667 -0.0138718  -0.0660927  -0.0813746  31  ARG   A C    
2088 O O    . ARG   B 19  ? 0.533497 0.488411 0.333538 -0.0089378  -0.068846   -0.0688772  31  ARG   A O    
2089 C CB   . ARG   B 19  ? 0.540927 0.506442 0.305571 -0.0293744  -0.0738414  -0.111155   31  ARG   A CB   
2090 C CG   . ARG   B 19  ? 0.612348 0.587243 0.3512   -0.0316705  -0.072112   -0.133447   31  ARG   A CG   
2091 C CD   . ARG   B 19  ? 0.602538 0.627698 0.32339  -0.0438873  -0.0851265  -0.142485   31  ARG   A CD   
2092 N NE   . ARG   B 19  ? 0.569419 0.637724 0.295165 -0.0324158  -0.0919816  -0.116768   31  ARG   A NE   
2093 C CZ   . ARG   B 19  ? 0.59997  0.695586 0.31571  -0.0142917  -0.0910584  -0.0982089  31  ARG   A CZ   
2094 N NH1  . ARG   B 19  ? 0.625103 0.716645 0.318251 -0.00257165 -0.081402   -0.0982837  31  ARG   A NH1  
2095 N NH2  . ARG   B 19  ? 0.619972 0.749145 0.351632 -0.00687224 -0.0988505  -0.0767376  31  ARG   A NH2  
2096 H H    . ARG   B 19  ? 0.58489  0.453169 0.365338 -0.0179416  -0.0534853  -0.129672   31  ARG   A H    
2097 H HA   . ARG   B 19  ? 0.542942 0.470704 0.315884 -0.00416776 -0.0574753  -0.10084    31  ARG   A HA   
2098 H HB2  . ARG   B 19  ? 0.559824 0.522785 0.331554 -0.0442132  -0.0793169  -0.115721   31  ARG   A HB2  
2099 H HB3  . ARG   B 19  ? 0.533379 0.525094 0.299499 -0.0214659  -0.0760814  -0.0970239  31  ARG   A HB3  
2100 H HG2  . ARG   B 19  ? 0.59409  0.570441 0.325744 -0.0174648  -0.0647967  -0.127666   31  ARG   A HG2  
2101 H HG3  . ARG   B 19  ? 0.618714 0.56513  0.358797 -0.0391908  -0.0688033  -0.149789   31  ARG   A HG3  
2102 H HD2  . ARG   B 19  ? 0.63076  0.662552 0.330898 -0.0432421  -0.0828258  -0.155763   31  ARG   A HD2  
2103 H HD3  . ARG   B 19  ? 0.616714 0.639128 0.344557 -0.0607508  -0.0911653  -0.153423   31  ARG   A HD3  
2104 H HE   . ARG   B 19  ? 0.567812 0.644657 0.308135 -0.0387729  -0.0973685  -0.112002   31  ARG   A HE   
2105 H HH11 . ARG   B 19  ? 0.637447 0.70693  0.323106 -0.00568916 -0.074448   -0.113152   31  ARG   A HH11 
2106 H HH12 . ARG   B 19  ? 0.620766 0.731724 0.307327 0.00837214  -0.0811556  -0.0830774  31  ARG   A HH12 
2107 H HH21 . ARG   B 19  ? 0.592555 0.725466 0.340944 -0.0137247  -0.102949   -0.0761096  31  ARG   A HH21 
2108 H HH22 . ARG   B 19  ? 0.604339 0.751898 0.330841 0.0052919   -0.0991705  -0.0628532  31  ARG   A HH22 
2109 N N    . GLY   B 20  ? 0.513052 0.400644 0.324836 -0.0121594  -0.0635413  -0.0758863  32  GLY   A N    
2110 C CA   . GLY   B 20  ? 0.489194 0.376247 0.313933 -0.0118564  -0.0661408  -0.0578799  32  GLY   A CA   
2111 C C    . GLY   B 20  ? 0.464156 0.367179 0.294726 0.00551482  -0.0616407  -0.0455795  32  GLY   A C    
2112 O O    . GLY   B 20  ? 0.464019 0.380232 0.301769 0.00547742  -0.0632451  -0.0350433  32  GLY   A O    
2113 H H    . GLY   B 20  ? 0.533062 0.397697 0.346133 -0.0104693  -0.0601131  -0.0837831  32  GLY   A H    
2114 H HA2  . GLY   B 20  ? 0.488916 0.391213 0.31293  -0.0226227  -0.0703889  -0.0563462  32  GLY   A HA2  
2115 H HA3  . GLY   B 20  ? 0.498989 0.360145 0.330516 -0.0134911  -0.066472   -0.0555693  32  GLY   A HA3  
2116 N N    . VAL   B 21  ? 0.463233 0.363353 0.292045 0.0194591   -0.0541634  -0.0482018  33  VAL   A N    
2117 C CA   . VAL   B 21  ? 0.439227 0.349603 0.276385 0.0341302   -0.0479826  -0.0369755  33  VAL   A CA   
2118 C C    . VAL   B 21  ? 0.452343 0.379155 0.275063 0.0421248   -0.0412405  -0.0397455  33  VAL   A C    
2119 O O    . VAL   B 21  ? 0.454212 0.369921 0.26941  0.0446565   -0.0345752  -0.0504849  33  VAL   A O    
2120 C CB   . VAL   B 21  ? 0.460785 0.349137 0.316228 0.041995    -0.0442737  -0.0324292  33  VAL   A CB   
2121 C CG1  . VAL   B 21  ? 0.452477 0.351629 0.320296 0.0536363   -0.0372225  -0.022538   33  VAL   A CG1  
2122 C CG2  . VAL   B 21  ? 0.443301 0.316277 0.306837 0.03357     -0.0528687  -0.0281748  33  VAL   A CG2  
2123 H H    . VAL   B 21  ? 0.479469 0.370351 0.302141 0.0187019   -0.0518665  -0.0582323  33  VAL   A H    
2124 H HA   . VAL   B 21  ? 0.432763 0.357304 0.273425 0.0333425   -0.0505248  -0.030238   33  VAL   A HA   
2125 H HB   . VAL   B 21  ? 0.466706 0.343496 0.321623 0.0449795   -0.0401728  -0.0394269  33  VAL   A HB   
2126 H HG11 . VAL   B 21  ? 0.439766 0.350827 0.308252 0.0523416   -0.0394702  -0.0176284  33  VAL   A HG11 
2127 H HG12 . VAL   B 21  ? 0.455341 0.360252 0.318096 0.0593601   -0.0304725  -0.0230377  33  VAL   A HG12 
2128 H HG13 . VAL   B 21  ? 0.445087 0.334004 0.326417 0.056207    -0.0368967  -0.0207144  33  VAL   A HG13 
2129 H HG21 . VAL   B 21  ? 0.444594 0.308824 0.320247 0.0393036   -0.0522745  -0.0245172  33  VAL   A HG21 
2130 H HG22 . VAL   B 21  ? 0.463854 0.324193 0.322679 0.0266395   -0.0557751  -0.0333374  33  VAL   A HG22 
2131 H HG23 . VAL   B 21  ? 0.438539 0.324044 0.300399 0.029015    -0.0559261  -0.0236382  33  VAL   A HG23 
2132 N N    . LEU   B 22  ? 0.456443 0.411754 0.274489 0.0460661   -0.0429246  -0.0300297  34  LEU   A N    
2133 C CA   . LEU   B 22  ? 0.451497 0.427338 0.254234 0.0544561   -0.0383075  -0.0248456  34  LEU   A CA   
2134 C C    . LEU   B 22  ? 0.444729 0.421928 0.260503 0.0688018   -0.0289765  -0.00631422 34  LEU   A C    
2135 O O    . LEU   B 22  ? 0.397468 0.374753 0.233082 0.0720957   -0.0304643  0.00314156  34  LEU   A O    
2136 C CB   . LEU   B 22  ? 0.455199 0.465016 0.245931 0.0491457   -0.0494102  -0.0239277  34  LEU   A CB   
2137 C CG   . LEU   B 22  ? 0.495917 0.507444 0.275369 0.03101     -0.0586724  -0.04401    34  LEU   A CG   
2138 C CD1  . LEU   B 22  ? 0.479253 0.533012 0.258104 0.0275215   -0.0704865  -0.0384083  34  LEU   A CD1  
2139 C CD2  . LEU   B 22  ? 0.529562 0.532001 0.285248 0.0271094   -0.0538916  -0.062911   34  LEU   A CD2  
2140 H H    . LEU   B 22  ? 0.438018 0.401118 0.263482 0.0437192   -0.0472655  -0.0252943  34  LEU   A H    
2141 H HA   . LEU   B 22  ? 0.471102 0.439846 0.262488 0.053396    -0.0340019  -0.0345606  34  LEU   A HA   
2142 H HB2  . LEU   B 22  ? 0.446108 0.463746 0.25104  0.0515289   -0.0522087  -0.0151102  34  LEU   A HB2  
2143 H HB3  . LEU   B 22  ? 0.473562 0.499506 0.251547 0.0552794   -0.0477182  -0.0180719  34  LEU   A HB3  
2144 H HG   . LEU   B 22  ? 0.480307 0.473173 0.271352 0.02462     -0.0595038  -0.0474836  34  LEU   A HG   
2145 H HD11 . LEU   B 22  ? 0.465393 0.522105 0.261548 0.0298416   -0.0712573  -0.0299536  34  LEU   A HD11 
2146 H HD12 . LEU   B 22  ? 0.495911 0.555727 0.268222 0.0143434   -0.0769019  -0.0514721  34  LEU   A HD12 
2147 H HD13 . LEU   B 22  ? 0.491453 0.564408 0.260569 0.0360372   -0.0706571  -0.0302783  34  LEU   A HD13 
2148 H HD21 . LEU   B 22  ? 0.528108 0.504751 0.290573 0.0301749   -0.0463973  -0.066461   34  LEU   A HD21 
2149 H HD22 . LEU   B 22  ? 0.538798 0.559586 0.280414 0.0338719   -0.0515905  -0.0577442  34  LEU   A HD22 
2150 H HD23 . LEU   B 22  ? 0.542874 0.548079 0.291889 0.0146074   -0.060256   -0.0767968  34  LEU   A HD23 
2151 N N    . LYS   B 23  ? 0.440231 0.419411 0.245    0.0760225   -0.0181953  -0.00206866 35  LYS   A N    
2152 C CA   . LYS   B 23  ? 0.461663 0.437899 0.281218 0.087228    -0.0065636  0.0165609   35  LYS   A CA   
2153 C C    . LYS   B 23  ? 0.50517  0.503896 0.303808 0.0948879   -0.00083242 0.033559    35  LYS   A C    
2154 O O    . LYS   B 23  ? 0.500795 0.511405 0.270344 0.0925282   0.00292357  0.0260629   35  LYS   A O    
2155 C CB   . LYS   B 23  ? 0.506185 0.459857 0.341768 0.0877789   0.00462036  0.00923548  35  LYS   A CB   
2156 C CG   . LYS   B 23  ? 0.519265 0.469653 0.373357 0.0956602   0.0196068   0.0257805   35  LYS   A CG   
2157 C CD   . LYS   B 23  ? 0.467506 0.404222 0.342717 0.0958446   0.0305764   0.0179805   35  LYS   A CD   
2158 C CE   . LYS   B 23  ? 0.513526 0.447022 0.416299 0.0992997   0.0438754   0.0327487   35  LYS   A CE   
2159 N NZ   . LYS   B 23  ? 0.473276 0.408101 0.387809 0.100591    0.059785    0.027894    35  LYS   A NZ   
2160 H H    . LYS   B 23  ? 0.467775 0.450349 0.255373 0.0729715   -0.0170178  -0.0115018  35  LYS   A H    
2161 H HA   . LYS   B 23  ? 0.452831 0.427078 0.289179 0.0890885   -0.00969741 0.0233845   35  LYS   A HA   
2162 H HB2  . LYS   B 23  ? 0.482538 0.424093 0.33241  0.0841069   -0.00085839 0.00317217  35  LYS   A HB2  
2163 H HB3  . LYS   B 23  ? 0.511643 0.465255 0.33343  0.0858229   0.00779761  -0.00149703 35  LYS   A HB3  
2164 H HG2  . LYS   B 23  ? 0.52158  0.484363 0.359785 0.0991395   0.025299    0.0351269   35  LYS   A HG2  
2165 H HG3  . LYS   B 23  ? 0.492407 0.439587 0.362277 0.0971354   0.0168527   0.0338389   35  LYS   A HG3  
2166 H HD2  . LYS   B 23  ? 0.475917 0.402386 0.362592 0.0925227   0.0228625   0.00866775  35  LYS   A HD2  
2167 H HD3  . LYS   B 23  ? 0.504393 0.445368 0.365306 0.0962469   0.0366708   0.0106294   35  LYS   A HD3  
2168 H HE2  . LYS   B 23  ? 0.499632 0.439804 0.394484 0.102272    0.0479623   0.047031    35  LYS   A HE2  
2169 H HE3  . LYS   B 23  ? 0.473524 0.398457 0.396741 0.0972994   0.0383188   0.0317823   35  LYS   A HE3  
2170 H HZ1  . LYS   B 23  ? 0.505439 0.44933  0.39938  0.10216     0.0666525   0.0277606   35  LYS   A HZ1  
2171 H HZ2  . LYS   B 23  ? 0.479795 0.408583 0.404457 0.0994999   0.0554744   0.0158282   35  LYS   A HZ2  
2172 H HZ3  . LYS   B 23  ? 0.486108 0.419935 0.419587 0.100773    0.0674565   0.0369388   35  LYS   A HZ3  
2173 N N    . ILE   B 24  ? 0.490664 0.491327 0.305977 0.104509    0.00282414  0.0569921   36  ILE   A N    
2174 C CA   . ILE   B 24  ? 0.49444  0.506571 0.298019 0.113297    0.0130655   0.0811683   36  ILE   A CA   
2175 C C    . ILE   B 24  ? 0.500417 0.489122 0.335115 0.117627    0.0286688   0.0944785   36  ILE   A C    
2176 O O    . ILE   B 24  ? 0.495348 0.46866  0.361846 0.119955    0.0270012   0.0976995   36  ILE   A O    
2177 C CB   . ILE   B 24  ? 0.518378 0.556417 0.314416 0.121831    0.00186496  0.102419    36  ILE   A CB   
2178 C CG1  . ILE   B 24  ? 0.540349 0.606854 0.311306 0.114623    -0.0157155  0.0868131   36  ILE   A CG1  
2179 C CG2  . ILE   B 24  ? 0.562487 0.610946 0.346746 0.132307    0.0114291   0.13538     36  ILE   A CG2  
2180 C CD1  . ILE   B 24  ? 0.590735 0.69012  0.36084  0.123836    -0.0295548  0.107292    36  ILE   A CD1  
2181 H H    . ILE   B 24  ? 0.471904 0.465557 0.30678  0.105406    -0.00065232 0.0582453   36  ILE   A H    
2182 H HA   . ILE   B 24  ? 0.520001 0.540006 0.30077  0.110433    0.017503    0.0752845   36  ILE   A HA   
2183 H HB   . ILE   B 24  ? 0.505261 0.53429  0.32667  0.125344    -0.00072312 0.105734    36  ILE   A HB   
2184 H HG12 . ILE   B 24  ? 0.562658 0.637202 0.307589 0.10976     -0.0134072  0.0787801   36  ILE   A HG12 
2185 H HG13 . ILE   B 24  ? 0.52472  0.581513 0.306949 0.107824    -0.0204384  0.0698773   36  ILE   A HG13 
2186 H HG21 . ILE   B 24  ? 0.567944 0.631913 0.352701 0.139524    0.00265464  0.150441    36  ILE   A HG21 
2187 H HG22 . ILE   B 24  ? 0.579254 0.639804 0.335348 0.128756    0.015209    0.13267     36  ILE   A HG22 
2188 H HG23 . ILE   B 24  ? 0.556728 0.585033 0.361874 0.134993    0.0227906   0.144391    36  ILE   A HG23 
2189 H HD11 . ILE   B 24  ? 0.564324 0.65473  0.362266 0.13063     -0.0293149  0.115743    36  ILE   A HD11 
2190 H HD12 . ILE   B 24  ? 0.577766 0.695848 0.337509 0.116955    -0.0412526  0.0943067   36  ILE   A HD12 
2191 H HD13 . ILE   B 24  ? 0.602918 0.715251 0.356333 0.129838    -0.0270173  0.125141    36  ILE   A HD13 
2192 N N    . VAL   B 25  ? 0.520824 0.511899 0.34409  0.118611    0.0448193   0.104705    37  VAL   A N    
2193 C CA   . VAL   B 25  ? 0.532806 0.507113 0.384019 0.120965    0.0617613   0.122232    37  VAL   A CA   
2194 C C    . VAL   B 25  ? 0.585912 0.565348 0.436818 0.131112    0.0618616   0.156366    37  VAL   A C    
2195 O O    . VAL   B 25  ? 0.620707 0.623784 0.43693  0.135466    0.061923    0.174649    37  VAL   A O    
2196 C CB   . VAL   B 25  ? 0.57277  0.552375 0.412745 0.116995    0.0813431   0.120011    37  VAL   A CB   
2197 C CG1  . VAL   B 25  ? 0.581968 0.547577 0.453662 0.116698    0.100463    0.140611    37  VAL   A CG1  
2198 C CG2  . VAL   B 25  ? 0.562167 0.536138 0.408212 0.110724    0.0802696   0.0871249   37  VAL   A CG2  
2199 H H    . VAL   B 25  ? 0.539192 0.543781 0.33643  0.116657    0.0461202   0.0996335   37  VAL   A H    
2200 H HA   . VAL   B 25  ? 0.518575 0.476633 0.397222 0.118602    0.0602804   0.113618    37  VAL   A HA   
2201 H HB   . VAL   B 25  ? 0.594712 0.592488 0.403107 0.118606    0.0827771   0.127046    37  VAL   A HB   
2202 H HG11 . VAL   B 25  ? 0.561448 0.510607 0.46357  0.115082    0.0969503   0.135344    37  VAL   A HG11 
2203 H HG12 . VAL   B 25  ? 0.603401 0.572684 0.46688  0.121096    0.10387     0.164266    37  VAL   A HG12 
2204 H HG13 . VAL   B 25  ? 0.589142 0.559376 0.46016  0.113207    0.113134    0.135306    37  VAL   A HG13 
2205 H HG21 . VAL   B 25  ? 0.572164 0.55077  0.416135 0.109661    0.0941185   0.0852076   37  VAL   A HG21 
2206 H HG22 . VAL   B 25  ? 0.5595   0.540531 0.384788 0.10951     0.0699835   0.0745158   37  VAL   A HG22 
2207 H HG23 . VAL   B 25  ? 0.537157 0.496536 0.411138 0.108982    0.0762032   0.0809573   37  VAL   A HG23 
2208 N N    . LYS   B 26  ? 0.526487 0.483546 0.416471 0.134959    0.0631445   0.165464    38  LYS   A N    
2209 C CA   . LYS   B 26  ? 0.572353 0.525812 0.473296 0.146806    0.0650939   0.198953    38  LYS   A CA   
2210 C C    . LYS   B 26  ? 0.605384 0.541018 0.522241 0.14581     0.0868567   0.224494    38  LYS   A C    
2211 O O    . LYS   B 26  ? 0.665161 0.60258  0.576887 0.1553      0.0914756   0.260717    38  LYS   A O    
2212 C CB   . LYS   B 26  ? 0.519361 0.457096 0.456363 0.152172    0.055661    0.190835    38  LYS   A CB   
2213 C CG   . LYS   B 26  ? 0.543961 0.50369  0.468056 0.152967    0.0353939   0.170474    38  LYS   A CG   
2214 C CD   . LYS   B 26  ? 0.605068 0.602374 0.490461 0.158333    0.022841    0.182599    38  LYS   A CD   
2215 C CE   . LYS   B 26  ? 0.568412 0.578226 0.463784 0.17485     0.0165017   0.211849    38  LYS   A CE   
2216 N NZ   . LYS   B 26  ? 0.630386 0.681245 0.490687 0.181642    0.00338382  0.231364    38  LYS   A NZ   
2217 H H    . LYS   B 26  ? 0.521167 0.464198 0.4326   0.130339    0.0627203   0.150066    38  LYS   A H    
2218 H HA   . LYS   B 26  ? 0.580571 0.555907 0.454713 0.152016    0.0580999   0.21039     38  LYS   A HA   
2219 H HB2  . LYS   B 26  ? 0.521652 0.440556 0.481518 0.145575    0.0611014   0.176795    38  LYS   A HB2  
2220 H HB3  . LYS   B 26  ? 0.556143 0.487482 0.506357 0.16149     0.0585029   0.213032    38  LYS   A HB3  
2221 H HG2  . LYS   B 26  ? 0.520873 0.478582 0.440744 0.143452    0.033246    0.147971    38  LYS   A HG2  
2222 H HG3  . LYS   B 26  ? 0.534687 0.486778 0.482746 0.15839     0.0325265   0.169955    38  LYS   A HG3  
2223 H HD2  . LYS   B 26  ? 0.595955 0.599895 0.457807 0.155117    0.0287604   0.188529    38  LYS   A HD2  
2224 H HD3  . LYS   B 26  ? 0.563069 0.572497 0.438774 0.152724    0.0125225   0.162919    38  LYS   A HD3  
2225 H HE2  . LYS   B 26  ? 0.572713 0.580597 0.48995  0.177951    0.010512    0.202109    38  LYS   A HE2  
2226 H HE3  . LYS   B 26  ? 0.605413 0.596077 0.517074 0.17998     0.0275924   0.230451    38  LYS   A HE3  
2227 H HZ1  . LYS   B 26  ? 0.606349 0.67564  0.453754 0.176073    -0.00730511 0.213767    38  LYS   A HZ1  
2228 H HZ2  . LYS   B 26  ? 0.638717 0.693409 0.475981 0.178978    0.0096195   0.241119    38  LYS   A HZ2  
2229 H HZ3  . LYS   B 26  ? 0.632294 0.687729 0.507287 0.193768    -0.0003536  0.251214    38  LYS   A HZ3  
2230 N N    . ARG   B 27  ? 0.59174  0.507401 0.53743  0.135059    0.0987977   0.208632    39  ARG   A N    
2231 C CA   . ARG   B 27  ? 0.628801 0.530393 0.593828 0.129535    0.121425    0.228682    39  ARG   A CA   
2232 C C    . ARG   B 27  ? 0.607955 0.517003 0.575766 0.117073    0.131032    0.204423    39  ARG   A C    
2233 O O    . ARG   B 27  ? 0.603886 0.507679 0.59025  0.111487    0.122108    0.174045    39  ARG   A O    
2234 C CB   . ARG   B 27  ? 0.647715 0.513466 0.665171 0.12893     0.127006    0.234892    39  ARG   A CB   
2235 C CG   . ARG   B 27  ? 0.683597 0.531084 0.731956 0.118189    0.150619    0.250001    39  ARG   A CG   
2236 C CD   . ARG   B 27  ? 0.73708  0.545927 0.839004 0.115499    0.155776    0.251599    39  ARG   A CD   
2237 N NE   . ARG   B 27  ? 0.787854 0.590477 0.920145 0.102334    0.150647    0.211493    39  ARG   A NE   
2238 C CZ   . ARG   B 27  ? 0.762035 0.536099 0.936717 0.0978849   0.14935     0.196459    39  ARG   A CZ   
2239 N NH1  . ARG   B 27  ? 0.675014 0.451006 0.869293 0.0855763   0.141643    0.16026     39  ARG   A NH1  
2240 N NH2  . ARG   B 27  ? 0.75562  0.500303 0.952075 0.106514    0.155509    0.218076    39  ARG   A NH2  
2241 H H    . ARG   B 27  ? 0.567414 0.47956  0.522504 0.130312    0.0923619   0.185021    39  ARG   A H    
2242 H HA   . ARG   B 27  ? 0.659993 0.572067 0.603141 0.133984    0.127191    0.253482    39  ARG   A HA   
2243 H HB2  . ARG   B 27  ? 0.66294  0.523555 0.680908 0.139082    0.122783    0.252891    39  ARG   A HB2  
2244 H HB3  . ARG   B 27  ? 0.619425 0.478895 0.652769 0.125294    0.118718    0.209831    39  ARG   A HB3  
2245 H HG2  . ARG   B 27  ? 0.675235 0.531067 0.726893 0.108911    0.154619    0.231993    39  ARG   A HG2  
2246 H HG3  . ARG   B 27  ? 0.720928 0.575141 0.751599 0.121153    0.160061    0.277028    39  ARG   A HG3  
2247 H HD2  . ARG   B 27  ? 0.7722   0.568642 0.888839 0.111464    0.171414    0.273359    39  ARG   A HD2  
2248 H HD3  . ARG   B 27  ? 0.747619 0.54858  0.850649 0.126227    0.147093    0.257461    39  ARG   A HD3  
2249 H HE   . ARG   B 27  ? 0.739739 0.55874  0.861813 0.0972736   0.148092    0.196553    39  ARG   A HE   
2250 H HH11 . ARG   B 27  ? 0.67187  0.466953 0.851852 0.0823817   0.13575     0.147432    39  ARG   A HH11 
2251 H HH12 . ARG   B 27  ? 0.6953   0.453754 0.916859 0.0807167   0.142139    0.149176    39  ARG   A HH12 
2252 H HH21 . ARG   B 27  ? 0.794984 0.527207 1.00233  0.105155    0.168497    0.241036    39  ARG   A HH21 
2253 H HH22 . ARG   B 27  ? 0.762629 0.500046 0.963965 0.113894    0.14721     0.209885    39  ARG   A HH22 
2254 N N    . VAL   B 28  ? 0.669863 0.595956 0.615931 0.113875    0.148543    0.21774     40  VAL   A N    
2255 C CA   . VAL   B 28  ? 0.655648 0.593105 0.608399 0.1047      0.160384    0.195389    40  VAL   A CA   
2256 C C    . VAL   B 28  ? 0.669994 0.586824 0.680994 0.0946852   0.170001    0.19069     40  VAL   A C    
2257 O O    . VAL   B 28  ? 0.63343  0.528574 0.671734 0.0924699   0.178118    0.213406    40  VAL   A O    
2258 C CB   . VAL   B 28  ? 0.72835  0.691535 0.649007 0.102568    0.182495    0.209172    40  VAL   A CB   
2259 C CG1  . VAL   B 28  ? 0.691643 0.681692 0.549757 0.109402    0.173934    0.208819    40  VAL   A CG1  
2260 C CG2  . VAL   B 28  ? 0.758496 0.713385 0.694784 0.0983773   0.204963    0.247932    40  VAL   A CG2  
2261 H H    . VAL   B 28  ? 0.689003 0.621563 0.616005 0.118049    0.153655    0.24174     40  VAL   A H    
2262 H HA   . VAL   B 28  ? 0.644522 0.587452 0.58883  0.105498    0.14823     0.17194     40  VAL   A HA   
2263 H HB   . VAL   B 28  ? 0.696763 0.666478 0.630165 0.0977869   0.189555    0.190052    40  VAL   A HB   
2264 H HG11 . VAL   B 28  ? 0.718922 0.707094 0.564714 0.115102    0.16494     0.227841    40  VAL   A HG11 
2265 H HG12 . VAL   B 28  ? 0.68515  0.678154 0.537268 0.109961    0.162003    0.182925    40  VAL   A HG12 
2266 H HG13 . VAL   B 28  ? 0.733561 0.740703 0.571333 0.106984    0.189538    0.215092    40  VAL   A HG13 
2267 H HG21 . VAL   B 28  ? 0.789998 0.763773 0.694597 0.0987778   0.216103    0.261806    40  VAL   A HG21 
2268 H HG22 . VAL   B 28  ? 0.752475 0.700209 0.724241 0.0904023   0.215858    0.242018    40  VAL   A HG22 
2269 H HG23 . VAL   B 28  ? 0.766272 0.704735 0.709778 0.102873    0.197712    0.265064    40  VAL   A HG23 
2270 N N    . GLY   B 29  ? 0.617713 0.542678 0.64858  0.0885745   0.169194    0.161608    41  GLY   A N    
2271 C CA   . GLY   B 29  ? 0.622515 0.539882 0.707933 0.0771956   0.177182    0.152861    41  GLY   A CA   
2272 C C    . GLY   B 29  ? 0.628826 0.564925 0.728856 0.0696731   0.204598    0.162264    41  GLY   A C    
2273 O O    . GLY   B 29  ? 0.699989 0.649591 0.767479 0.0722641   0.221247    0.182757    41  GLY   A O    
2274 H H    . GLY   B 29  ? 0.617638 0.554393 0.628284 0.0917283   0.162617    0.146599    41  GLY   A H    
2275 H HA2  . GLY   B 29  ? 0.619588 0.518051 0.725262 0.0743757   0.176543    0.162135    41  GLY   A HA2  
2276 H HA3  . GLY   B 29  ? 0.588936 0.508699 0.684803 0.0764758   0.164899    0.13036     41  GLY   A HA3  
2277 N N    . ASN   B 30  ? 0.623276 0.56429  0.773945 0.0594538   0.208854    0.146458    42  ASN   A N    
2278 C CA   . ASN   B 30  ? 0.632869 0.591237 0.81701  0.0485676   0.235713    0.154889    42  ASN   A CA   
2279 C C    . ASN   B 30  ? 0.597009 0.583721 0.802498 0.0499327   0.234357    0.126176    42  ASN   A C    
2280 O O    . ASN   B 30  ? 0.648663 0.632332 0.866778 0.0530727   0.210733    0.102658    42  ASN   A O    
2281 C CB   . ASN   B 30  ? 0.67189  0.612348 0.913669 0.0325679   0.240898    0.160873    42  ASN   A CB   
2282 C CG   . ASN   B 30  ? 0.744067 0.647388 0.978998 0.0330159   0.236838    0.182423    42  ASN   A CG   
2283 O OD1  . ASN   B 30  ? 0.769584 0.652271 1.01135  0.0352411   0.215051    0.167075    42  ASN   A OD1  
2284 N ND2  . ASN   B 30  ? 0.806532 0.701946 1.02881  0.0316743   0.258249    0.218545    42  ASN   A ND2  
2285 H H    . ASN   B 30  ? 0.594953 0.530628 0.761162 0.0587486   0.193449    0.1292      42  ASN   A H    
2286 H HA   . ASN   B 30  ? 0.666462 0.631651 0.826283 0.0499148   0.251776    0.174051    42  ASN   A HA   
2287 H HB2  . ASN   B 30  ? 0.649629 0.592052 0.917383 0.0293995   0.227243    0.139475    42  ASN   A HB2  
2288 H HB3  . ASN   B 30  ? 0.692711 0.645252 0.95448  0.0242524   0.261259    0.170898    42  ASN   A HB3  
2289 H HD21 . ASN   B 30  ? 0.815852 0.687629 1.0427   0.0317164   0.257882    0.233458    42  ASN   A HD21 
2290 H HD22 . ASN   B 30  ? 0.81469  0.728536 1.02384  0.0310187   0.273298    0.228486    42  ASN   A HD22 
2291 N N    . GLY   B 31  ? 0.670617 0.685751 0.881303 0.048253    0.260313    0.129476    43  GLY   A N    
2292 C CA   . GLY   B 31  ? 0.672891 0.717131 0.912012 0.0521178   0.262606    0.103532    43  GLY   A CA   
2293 C C    . GLY   B 31  ? 0.683898 0.730564 0.879554 0.0687453   0.248938    0.0830168   43  GLY   A C    
2294 O O    . GLY   B 31  ? 0.702978 0.734395 0.844256 0.0750772   0.239701    0.088738    43  GLY   A O    
2295 H H    . GLY   B 31  ? 0.68771  0.705177 0.884722 0.0451533   0.277916    0.149202    43  GLY   A H    
2296 H HA2  . GLY   B 31  ? 0.69109  0.755717 0.942621 0.048008    0.285946    0.109681    43  GLY   A HA2  
2297 H HA3  . GLY   B 31  ? 0.650932 0.694329 0.92913  0.0474671   0.250538    0.0928297   43  GLY   A HA3  
2298 N N    . GLU   B 32  ? 0.630713 0.697861 0.854911 0.0755794   0.248589    0.0593158   44  GLU   A N    
2299 C CA   . GLU   B 32  ? 0.643082 0.710263 0.835162 0.0906411   0.239895    0.0377131   44  GLU   A CA   
2300 C C    . GLU   B 32  ? 0.598051 0.650335 0.811018 0.0961411   0.206777    0.0207308   44  GLU   A C    
2301 O O    . GLU   B 32  ? 0.579523 0.616195 0.758648 0.105019    0.19073     0.00891763  44  GLU   A O    
2302 C CB   . GLU   B 32  ? 0.613488 0.714242 0.818166 0.0956722   0.27134     0.0273614   44  GLU   A CB   
2303 H H    . GLU   B 32  ? 0.636354 0.71796  0.904205 0.0707613   0.254281    0.0564249   44  GLU   A H    
2304 H HA   . GLU   B 32  ? 0.640208 0.695897 0.785934 0.0924467   0.237505    0.0436568   44  GLU   A HA   
2307 N N    . GLU   B 33  ? 0.57499  0.632828 0.841962 0.088752    0.195968    0.0207744   45  GLU   A N    
2308 C CA   . GLU   B 33  ? 0.513878 0.565856 0.803372 0.0929659   0.16566     0.00726518  45  GLU   A CA   
2309 C C    . GLU   B 33  ? 0.48837  0.508763 0.735152 0.0918005   0.140576    0.00954964  45  GLU   A C    
2310 O O    . GLU   B 33  ? 0.455381 0.460357 0.684964 0.0826524   0.140064    0.022547    45  GLU   A O    
2311 C CB   . GLU   B 33  ? 0.562277 0.635006 0.916929 0.0823291   0.160727    0.00701677  45  GLU   A CB   
2312 H H    . GLU   B 33  ? 0.572919 0.639715 0.863057 0.0797421   0.207865    0.0301154   45  GLU   A H    
2313 H HA   . GLU   B 33  ? 0.529729 0.58818  0.822253 0.103773    0.165487    -0.00418513 45  GLU   A HA   
2316 N N    . THR   B 34  ? 0.46207  0.472778 0.697036 0.101212    0.119742    -0.00267164 46  THR   A N    
2317 C CA   . THR   B 34  ? 0.462119 0.448763 0.666356 0.0986538   0.0943046   -0.00222256 46  THR   A CA   
2318 C C    . THR   B 34  ? 0.456871 0.448188 0.692114 0.0993728   0.0693939   -0.00955151 46  THR   A C    
2319 O O    . THR   B 34  ? 0.496657 0.505157 0.767785 0.107006    0.0695532   -0.01558    46  THR   A O    
2320 C CB   . THR   B 34  ? 0.467692 0.437669 0.621052 0.10647     0.0925015   -0.00694909 46  THR   A CB   
2321 O OG1  . THR   B 34  ? 0.429328 0.402534 0.594418 0.118177    0.0930181   -0.0209698  46  THR   A OG1  
2322 C CG2  . THR   B 34  ? 0.50945  0.48206  0.6296   0.105452    0.114946    0.00176769  46  THR   A CG2  
2323 H H    . THR   B 34  ? 0.472872 0.492131 0.720761 0.109448    0.122278    -0.0112051  46  THR   A H    
2324 H HA   . THR   B 34  ? 0.458878 0.43926  0.657058 0.0907332   0.0949125   0.00592902  46  THR   A HA   
2325 H HB   . THR   B 34  ? 0.454365 0.410735 0.589224 0.103883    0.0766928   -0.0061318  46  THR   A HB   
2327 H HG21 . THR   B 34  ? 0.509335 0.472614 0.595049 0.108011    0.110468    -0.00124011 46  THR   A HG21 
2328 H HG22 . THR   B 34  ? 0.514877 0.501458 0.647013 0.108584    0.131662    -0.00104306 46  THR   A HG22 
2329 H HG23 . THR   B 34  ? 0.500916 0.471776 0.622605 0.0988623   0.117223    0.0134468   46  THR   A HG23 
2330 N N    . PRO   B 35  ? 0.4112   0.390445 0.633819 0.0922614   0.0471078   -0.00869822 47  PRO   A N    
2331 C CA   . PRO   B 35  ? 0.419847 0.410287 0.670646 0.0911699   0.0233695   -0.0130336  47  PRO   A CA   
2332 C C    . PRO   B 35  ? 0.402488 0.390095 0.654165 0.105214    0.0118474   -0.0160477  47  PRO   A C    
2333 O O    . PRO   B 35  ? 0.417883 0.383761 0.633249 0.11133     0.0126997   -0.0173562  47  PRO   A O    
2334 C CB   . PRO   B 35  ? 0.41685  0.393225 0.640355 0.0800695   0.00618725  -0.0125713  47  PRO   A CB   
2335 C CG   . PRO   B 35  ? 0.42786  0.382726 0.608091 0.0803462   0.018085    -0.00804795 47  PRO   A CG   
2336 C CD   . PRO   B 35  ? 0.458323 0.41767  0.642432 0.0851481   0.0442423   -0.00326729 47  PRO   A CD   
2337 H HA   . PRO   B 35  ? 0.410667 0.420002 0.697837 0.0872263   0.0267355   -0.0138851  47  PRO   A HA   
2338 H HB2  . PRO   B 35  ? 0.416959 0.391179 0.632186 0.0819152   -0.0106801  -0.0136716  47  PRO   A HB2  
2339 H HB3  . PRO   B 35  ? 0.41508  0.400453 0.659067 0.07088     0.00492286  -0.0143045  47  PRO   A HB3  
2340 H HG2  . PRO   B 35  ? 0.431231 0.375798 0.585962 0.0846573   0.0106247   -0.00881154 47  PRO   A HG2  
2341 H HG3  . PRO   B 35  ? 0.428202 0.377984 0.603586 0.0727928   0.0163785   -0.00728235 47  PRO   A HG3  
2342 H HD2  . PRO   B 35  ? 0.447887 0.397583 0.601542 0.0899508   0.0488373   -0.00186453 47  PRO   A HD2  
2343 H HD3  . PRO   B 35  ? 0.444116 0.404911 0.638298 0.0787243   0.0539773   0.00168531  47  PRO   A HD3  
2344 N N    . MET   B 36  ? 0.390652 0.398756 0.683127 0.108361    -0.00373777 -0.0162203  48  MET   A N    
2345 C CA   . MET   B 36  ? 0.377515 0.381517 0.678224 0.122217    -0.0195386  -0.0146193  48  MET   A CA   
2346 C C    . MET   B 36  ? 0.386686 0.384552 0.667407 0.115285    -0.0494308  -0.00763912 48  MET   A C    
2347 O O    . MET   B 36  ? 0.345307 0.354715 0.622652 0.100529    -0.0597883  -0.00803321 48  MET   A O    
2348 C CB   . MET   B 36  ? 0.384469 0.42193  0.748827 0.132165    -0.0198244  -0.0154701  48  MET   A CB   
2349 C CG   . MET   B 36  ? 0.439658 0.491651 0.831523 0.139056    0.0110357   -0.0227888  48  MET   A CG   
2350 S SD   . MET   B 36  ? 0.449289 0.472247 0.815729 0.157751    0.0292114   -0.0317937  48  MET   A SD   
2351 C CE   . MET   B 36  ? 0.488513 0.541315 0.888189 0.161829    0.0679847   -0.0413087  48  MET   A CE   
2352 H H    . MET   B 36  ? 0.382573 0.408629 0.701123 0.101484    -0.00510597 -0.0165993  48  MET   A H    
2353 H HA   . MET   B 36  ? 0.393707 0.379306 0.674111 0.129471    -0.0107537  -0.0171955  48  MET   A HA   
2354 H HB2  . MET   B 36  ? 0.386715 0.443878 0.770002 0.123114    -0.0303429  -0.0139134  48  MET   A HB2  
2355 H HB3  . MET   B 36  ? 0.402948 0.436158 0.775288 0.143028    -0.0318699  -0.0122871  48  MET   A HB3  
2356 H HG2  . MET   B 36  ? 0.419129 0.471546 0.799028 0.128515    0.0241794   -0.0231712  48  MET   A HG2  
2357 H HG3  . MET   B 36  ? 0.423241 0.501972 0.860609 0.143373    0.00949912  -0.0231992  48  MET   A HG3  
2358 H HE1  . MET   B 36  ? 0.496006 0.537944 0.883643 0.171315    0.0813119   -0.0499537  48  MET   A HE1  
2359 H HE2  . MET   B 36  ? 0.474911 0.530014 0.857835 0.149733    0.0779266   -0.0380119  48  MET   A HE2  
2360 H HE3  . MET   B 36  ? 0.477399 0.556312 0.924559 0.166213    0.066338    -0.0410385  48  MET   A HE3  
2361 N N    . ILE   B 37  ? 0.38839  0.372462 0.664862 0.126493    -0.0636233  -0.00132616 49  ILE   A N    
2362 C CA   . ILE   B 37  ? 0.416338 0.398555 0.674699 0.120377    -0.0920622  0.00946425  49  ILE   A CA   
2363 C C    . ILE   B 37  ? 0.396245 0.418391 0.694161 0.116205    -0.110445   0.0124891   49  ILE   A C    
2364 O O    . ILE   B 37  ? 0.376272 0.423255 0.725967 0.126869    -0.108343   0.0120029   49  ILE   A O    
2365 C CB   . ILE   B 37  ? 0.410799 0.366847 0.660028 0.132968    -0.102899   0.0200008   49  ILE   A CB   
2366 C CG1  . ILE   B 37  ? 0.457681 0.376946 0.662727 0.130434    -0.0895803  0.0148358   49  ILE   A CG1  
2367 C CG2  . ILE   B 37  ? 0.444013 0.407032 0.68189  0.127233    -0.133428   0.0366947   49  ILE   A CG2  
2368 C CD1  . ILE   B 37  ? 0.479885 0.36845  0.685497 0.142774    -0.0932263  0.0203395   49  ILE   A CD1  
2369 H H    . ILE   B 37  ? 0.405116 0.380308 0.689573 0.137672    -0.0550645  -0.00344344 49  ILE   A H    
2370 H HA   . ILE   B 37  ? 0.3979   0.370901 0.623502 0.109206    -0.0917529  0.00763726  49  ILE   A HA   
2371 H HB   . ILE   B 37  ? 0.434909 0.395579 0.717474 0.14644     -0.0991005  0.0197616   49  ILE   A HB   
2372 H HG12 . ILE   B 37  ? 0.441634 0.356976 0.616135 0.118557    -0.0957134  0.0171181   49  ILE   A HG12 
2373 H HG13 . ILE   B 37  ? 0.43889  0.358415 0.644024 0.131183    -0.0711622  0.00459795  49  ILE   A HG13 
2374 H HG21 . ILE   B 37  ? 0.455237 0.39743  0.684856 0.133689    -0.139166   0.0457381   49  ILE   A HG21 
2375 H HG22 . ILE   B 37  ? 0.430827 0.394279 0.638895 0.113545    -0.136052   0.0346544   49  ILE   A HG22 
2376 H HG23 . ILE   B 37  ? 0.438326 0.427449 0.70728  0.130418    -0.144448   0.0405434   49  ILE   A HG23 
2377 H HD11 . ILE   B 37  ? 0.488644 0.383355 0.730014 0.156186    -0.0909145  0.0197541   49  ILE   A HD11 
2378 H HD12 . ILE   B 37  ? 0.484501 0.353315 0.667816 0.140962    -0.0806843  0.0119233   49  ILE   A HD12 
2379 H HD13 . ILE   B 37  ? 0.490629 0.372945 0.684277 0.138976    -0.110091   0.0327981   49  ILE   A HD13 
2380 N N    . GLY   B 38  ? 0.424742 0.455857 0.697881 0.0992566   -0.126764   0.0126897   50  GLY   A N    
2381 C CA   . GLY   B 38  ? 0.414163 0.485083 0.715091 0.0889852   -0.145315   0.0103215   50  GLY   A CA   
2382 C C    . GLY   B 38  ? 0.425624 0.509692 0.738661 0.0721063   -0.131121   -0.00669412 50  GLY   A C    
2383 O O    . GLY   B 38  ? 0.394798 0.510112 0.726334 0.0586488   -0.146745   -0.0136693  50  GLY   A O    
2384 H H    . GLY   B 38  ? 0.41501  0.427756 0.651705 0.0931985   -0.12603    0.0127449   50  GLY   A H    
2385 H HA2  . GLY   B 38  ? 0.431688 0.504499 0.708369 0.0827639   -0.162969   0.0156188   50  GLY   A HA2  
2386 H HA3  . GLY   B 38  ? 0.425883 0.515879 0.764461 0.0989412   -0.151619   0.0151628   50  GLY   A HA3  
2387 N N    . ASP   B 39  ? 0.358326 0.42493  0.673166 0.0736106   -0.102147   -0.0127325  51  ASP   A N    
2388 C CA   . ASP   B 39  ? 0.337499 0.411748 0.66949  0.0584084   -0.0865254  -0.0245842  51  ASP   A CA   
2389 C C    . ASP   B 39  ? 0.324015 0.385705 0.618189 0.0418218   -0.0934803  -0.0331185  51  ASP   A C    
2390 O O    . ASP   B 39  ? 0.342156 0.380517 0.588552 0.0437437   -0.0973881  -0.0294065  51  ASP   A O    
2391 C CB   . ASP   B 39  ? 0.325507 0.379476 0.65508  0.0631627   -0.0539301  -0.024032   51  ASP   A CB   
2392 C CG   . ASP   B 39  ? 0.344818 0.416538 0.717604 0.0761712   -0.038557   -0.0213149  51  ASP   A CG   
2393 O OD1  . ASP   B 39  ? 0.33212  0.433977 0.746459 0.0818531   -0.0531853  -0.0204509  51  ASP   A OD1  
2394 O OD2  . ASP   B 39  ? 0.357497 0.415901 0.722316 0.0809106   -0.0114796  -0.0199768  51  ASP   A OD2  
2395 H H    . ASP   B 39  ? 0.367815 0.416925 0.672855 0.0837395   -0.0916022  -0.00900154 51  ASP   A H    
2396 H HA   . ASP   B 39  ? 0.336872 0.438602 0.707099 0.0547221   -0.0922994  -0.0277524  51  ASP   A HA   
2397 H HB2  . ASP   B 39  ? 0.331585 0.362368 0.625675 0.0683581   -0.0503178  -0.0205772  51  ASP   A HB2  
2398 H HB3  . ASP   B 39  ? 0.330052 0.38261  0.664162 0.0520883   -0.0448897  -0.0290288  51  ASP   A HB3  
2399 N N    . LYS   B 40  ? 0.368479 0.44616  0.689096 0.0250652   -0.0921605  -0.0463863  52  LYS   A N    
2400 C CA   . LYS   B 40  ? 0.396545 0.461205 0.689579 0.00950326  -0.0936802  -0.05971    52  LYS   A CA   
2401 C C    . LYS   B 40  ? 0.348525 0.379447 0.630597 0.0114935   -0.0647824  -0.0578552  52  LYS   A C    
2402 O O    . LYS   B 40  ? 0.418684 0.44996  0.73388  0.0108721   -0.0456347  -0.0552154  52  LYS   A O    
2403 C CB   . LYS   B 40  ? 0.440937 0.538259 0.76941  -0.00944572 -0.107788   -0.0768508  52  LYS   A CB   
2404 C CG   . LYS   B 40  ? 0.486982 0.575872 0.792822 -0.0275347  -0.111113   -0.0976482  52  LYS   A CG   
2405 C CD   . LYS   B 40  ? 0.545082 0.66788  0.887653 -0.0492083  -0.125189   -0.119557   52  LYS   A CD   
2406 C CE   . LYS   B 40  ? 0.587706 0.687979 0.912714 -0.0652218  -0.116196   -0.143465   52  LYS   A CE   
2407 N NZ   . LYS   B 40  ? 0.686601 0.80569  1.04087  -0.090196   -0.122997   -0.17308    52  LYS   A NZ   
2408 H H    . LYS   B 40  ? 0.361496 0.458204 0.71965  0.0230503   -0.0893931  -0.0483659  52  LYS   A H    
2409 H HA   . LYS   B 40  ? 0.392008 0.451133 0.6514   0.0114334   -0.10523    -0.0573337  52  LYS   A HA   
2410 H HB2  . LYS   B 40  ? 0.443032 0.564785 0.777936 -0.00722986 -0.127179   -0.0733175  52  LYS   A HB2  
2411 H HB3  . LYS   B 40  ? 0.436786 0.540051 0.801282 -0.0126388  -0.0956643  -0.0786495  52  LYS   A HB3  
2412 H HG2  . LYS   B 40  ? 0.486839 0.550003 0.788802 -0.0278211  -0.0921544  -0.0994565  52  LYS   A HG2  
2413 H HG3  . LYS   B 40  ? 0.492173 0.578833 0.762123 -0.025248   -0.122354   -0.0959511  52  LYS   A HG3  
2414 H HD2  . LYS   B 40  ? 0.547343 0.696723 0.883579 -0.0505075  -0.147437   -0.119299   52  LYS   A HD2  
2415 H HD3  . LYS   B 40  ? 0.536956 0.668591 0.92017  -0.0515991  -0.116735   -0.11893    52  LYS   A HD3  
2416 H HE2  . LYS   B 40  ? 0.591417 0.662806 0.917974 -0.060368   -0.0953562  -0.138786   52  LYS   A HE2  
2417 H HE3  . LYS   B 40  ? 0.600571 0.697153 0.886524 -0.0626313  -0.12445    -0.144048   52  LYS   A HE3  
2418 H HZ1  . LYS   B 40  ? 0.659943 0.780768 1.05232  -0.0947913  -0.113619   -0.173392   52  LYS   A HZ1  
2419 H HZ2  . LYS   B 40  ? 0.66933  0.818538 1.02037  -0.0955963  -0.143777   -0.177992   52  LYS   A HZ2  
2420 H HZ3  . LYS   B 40  ? 0.673332 0.773184 1.01198  -0.0963776  -0.115702   -0.186929   52  LYS   A HZ3  
2421 N N    . VAL   B 41  ? 0.385476 0.390593 0.622617 0.013616    -0.0616979  -0.0575056  53  VAL   A N    
2422 C CA   . VAL   B 41  ? 0.380696 0.357203 0.605292 0.0190366   -0.0377646  -0.0510748  53  VAL   A CA   
2423 C C    . VAL   B 41  ? 0.43795  0.398362 0.654934 0.00838566  -0.0326823  -0.0641701  53  VAL   A C    
2424 O O    . VAL   B 41  ? 0.390714 0.355865 0.586213 0.00186754  -0.0470834  -0.0765271  53  VAL   A O    
2425 C CB   . VAL   B 41  ? 0.422293 0.385187 0.606885 0.0338067   -0.0376352  -0.0383165  53  VAL   A CB   
2426 C CG1  . VAL   B 41  ? 0.48015  0.419404 0.644105 0.0397006   -0.018292   -0.0309171  53  VAL   A CG1  
2427 C CG2  . VAL   B 41  ? 0.425724 0.399812 0.62661  0.0450823   -0.0374799  -0.0291607  53  VAL   A CG2  
2428 H H    . VAL   B 41  ? 0.379219 0.386958 0.593769 0.0116802   -0.0749561  -0.0603436  53  VAL   A H    
2429 H HA   . VAL   B 41  ? 0.397355 0.375536 0.646707 0.0199535   -0.0250758  -0.0466025  53  VAL   A HA   
2430 H HB   . VAL   B 41  ? 0.424843 0.389261 0.588066 0.0318802   -0.0510614  -0.0413247  53  VAL   A HB   
2431 H HG11 . VAL   B 41  ? 0.464166 0.40118  0.648693 0.038277    -0.00505408 -0.0282597  53  VAL   A HG11 
2432 H HG12 . VAL   B 41  ? 0.463302 0.395059 0.612256 0.0361906   -0.0206641  -0.0360126  53  VAL   A HG12 
2433 H HG13 . VAL   B 41  ? 0.457873 0.393    0.603943 0.0482609   -0.0167486  -0.0235396  53  VAL   A HG13 
2434 H HG21 . VAL   B 41  ? 0.422194 0.385137 0.599454 0.0532551   -0.0356096  -0.0233279  53  VAL   A HG21 
2435 H HG22 . VAL   B 41  ? 0.423546 0.413267 0.636344 0.0436375   -0.0523637  -0.0312367  53  VAL   A HG22 
2436 H HG23 . VAL   B 41  ? 0.423254 0.400822 0.647474 0.0454786   -0.02394    -0.0273911  53  VAL   A HG23 
2437 N N    . TYR   B 42  ? 0.409223 0.351156 0.645835 0.00697654  -0.0110416  -0.0607139  54  TYR   A N    
2438 C CA   . TYR   B 42  ? 0.442465 0.362977 0.680186 -0.00014428 -0.00281642 -0.0721973  54  TYR   A CA   
2439 C C    . TYR   B 42  ? 0.417817 0.313179 0.632914 0.0141371   0.013165    -0.0548849  54  TYR   A C    
2440 O O    . TYR   B 42  ? 0.412308 0.30168  0.635059 0.0211594   0.0283304   -0.035725   54  TYR   A O    
2441 C CB   . TYR   B 42  ? 0.495329 0.412402 0.782694 -0.0149932  0.00851035  -0.0805691  54  TYR   A CB   
2442 C CG   . TYR   B 42  ? 0.516409 0.464544 0.834152 -0.0317518  -0.0080047  -0.0992972  54  TYR   A CG   
2443 C CD1  . TYR   B 42  ? 0.529823 0.507526 0.868016 -0.0297028  -0.0148457  -0.0904669  54  TYR   A CD1  
2444 C CD2  . TYR   B 42  ? 0.542241 0.492813 0.870498 -0.0493399  -0.0165961  -0.12721    54  TYR   A CD2  
2445 C CE1  . TYR   B 42  ? 0.541355 0.553506 0.911641 -0.0439164  -0.0321634  -0.105577   54  TYR   A CE1  
2446 C CE2  . TYR   B 42  ? 0.575694 0.560156 0.93183  -0.066346   -0.0338408  -0.144953   54  TYR   A CE2  
2447 C CZ   . TYR   B 42  ? 0.590875 0.607609 0.969191 -0.0632247  -0.0425791  -0.132335   54  TYR   A CZ   
2448 O OH   . TYR   B 42  ? 0.652405 0.708702 1.06199  -0.0787755  -0.061984   -0.147886   54  TYR   A OH   
2449 H H    . TYR   B 42  ? 0.419093 0.36117  0.669443 0.0109341   -0.00044104 -0.0504524  54  TYR   A H    
2450 H HA   . TYR   B 42  ? 0.442798 0.368614 0.665523 -0.00481293 -0.0146765  -0.0855982  54  TYR   A HA   
2451 H HB2  . TYR   B 42  ? 0.48924  0.401826 0.789319 -0.0106825  0.0217929   -0.0653756  54  TYR   A HB2  
2452 H HB3  . TYR   B 42  ? 0.504589 0.402568 0.79446  -0.0184597  0.015473    -0.0881966  54  TYR   A HB3  
2453 H HD1  . TYR   B 42  ? 0.514768 0.490979 0.845959 -0.0179932  -0.00783321 -0.0745929  54  TYR   A HD1  
2454 H HD2  . TYR   B 42  ? 0.558273 0.488476 0.8763   -0.049953   -0.0103423  -0.135373   54  TYR   A HD2  
2455 H HE1  . TYR   B 42  ? 0.537987 0.571893 0.926454 -0.0406515  -0.0364773  -0.0987352  54  TYR   A HE1  
2456 H HE2  . TYR   B 42  ? 0.592579 0.579905 0.953614 -0.0796472  -0.0398014  -0.166361   54  TYR   A HE2  
2458 N N    . VAL   B 43  ? 0.416588 0.301338 0.606351 0.0177068   0.0104612   -0.0616977  55  VAL   A N    
2459 C CA   . VAL   B 43  ? 0.412329 0.280233 0.582558 0.0323224   0.021983    -0.0445043  55  VAL   A CA   
2460 C C    . VAL   B 43  ? 0.444151 0.2936   0.620103 0.0328847   0.0286574   -0.0556616  55  VAL   A C    
2461 O O    . VAL   B 43  ? 0.454972 0.307524 0.635601 0.0224466   0.0221074   -0.0807364  55  VAL   A O    
2462 C CB   . VAL   B 43  ? 0.427126 0.305708 0.555842 0.0427094   0.0123436   -0.0354886  55  VAL   A CB   
2463 C CG1  . VAL   B 43  ? 0.377442 0.269847 0.50023  0.0449558   0.00677552  -0.0268002  55  VAL   A CG1  
2464 C CG2  . VAL   B 43  ? 0.408945 0.29624  0.514162 0.0388374   -0.00113374 -0.0511533  55  VAL   A CG2  
2465 H H    . VAL   B 43  ? 0.420484 0.311223 0.605366 0.0110834   0.00139703  -0.0770823  55  VAL   A H    
2466 H HA   . VAL   B 43  ? 0.426148 0.287237 0.608761 0.0354626   0.033278    -0.0307323  55  VAL   A HA   
2467 H HB   . VAL   B 43  ? 0.414025 0.284166 0.534891 0.0514199   0.0204549   -0.0236646  55  VAL   A HB   
2468 H HG11 . VAL   B 43  ? 0.386164 0.289127 0.517626 0.0380785   -0.00289911 -0.0359066  55  VAL   A HG11 
2469 H HG12 . VAL   B 43  ? 0.391789 0.281087 0.528024 0.0473412   0.0176021   -0.0172871  55  VAL   A HG12 
2470 H HG13 . VAL   B 43  ? 0.382121 0.276737 0.480257 0.0508254   0.00241434  -0.0218789  55  VAL   A HG13 
2471 H HG21 . VAL   B 43  ? 0.404276 0.299162 0.487516 0.0422581   -0.00820526 -0.0453436  55  VAL   A HG21 
2472 H HG22 . VAL   B 43  ? 0.420194 0.299393 0.524274 0.0421059   0.00474448  -0.0538606  55  VAL   A HG22 
2473 H HG23 . VAL   B 43  ? 0.417081 0.311713 0.530859 0.0292692   -0.00823078 -0.0643408  55  VAL   A HG23 
2474 N N    . HIS   B 44  ? 0.487638 0.319894 0.662509 0.0463241   0.0416979   -0.0369949  56  HIS   A N    
2475 C CA   . HIS   B 44  ? 0.481263 0.302396 0.653516 0.0544986   0.0453775   -0.0433124  56  HIS   A CA   
2476 C C    . HIS   B 44  ? 0.43373  0.269851 0.569978 0.0677428   0.0389592   -0.0294011  56  HIS   A C    
2477 O O    . HIS   B 44  ? 0.461134 0.303489 0.582229 0.0737697   0.0389162   -0.00903899 56  HIS   A O    
2478 C CB   . HIS   B 44  ? 0.549735 0.339593 0.756833 0.060591    0.0636952   -0.0327193  56  HIS   A CB   
2479 C CG   . HIS   B 44  ? 0.557908 0.329231 0.801168 0.0467576   0.0696331   -0.0590048  56  HIS   A CG   
2480 N ND1  . HIS   B 44  ? 0.5486   0.322893 0.791904 0.0397599   0.0647623   -0.0930424  56  HIS   A ND1  
2481 C CD2  . HIS   B 44  ? 0.571384 0.322419 0.852012 0.0364469   0.080961    -0.0570633  56  HIS   A CD2  
2482 C CE1  . HIS   B 44  ? 0.592392 0.346095 0.873085 0.0260408   0.0728553   -0.112772   56  HIS   A CE1  
2483 N NE2  . HIS   B 44  ? 0.58797  0.3271   0.893264 0.0231603   0.0822075   -0.0907859  56  HIS   A NE2  
2484 H H    . HIS   B 44  ? 0.474976 0.304448 0.65147  0.0510222   0.0484423   -0.0195604  56  HIS   A H    
2485 H HA   . HIS   B 44  ? 0.487043 0.312977 0.659431 0.0466603   0.0397226   -0.0649024  56  HIS   A HA   
2486 H HB2  . HIS   B 44  ? 0.539294 0.324952 0.751517 0.0622514   0.0699241   -0.0133635  56  HIS   A HB2  
2487 H HB3  . HIS   B 44  ? 0.541294 0.327498 0.742619 0.0724817   0.0660238   -0.0262983  56  HIS   A HB3  
2489 H HD2  . HIS   B 44  ? 0.574676 0.320871 0.863532 0.0371802   0.0879184   -0.0368809  56  HIS   A HD2  
2490 H HE1  . HIS   B 44  ? 0.599568 0.351435 0.887103 0.0180503   0.0721475   -0.139493   56  HIS   A HE1  
2492 N N    . TYR   B 45  ? 0.447304 0.29094  0.571719 0.0711175   0.0348941   -0.0424013  57  TYR   A N    
2493 C CA   . TYR   B 45  ? 0.416809 0.277984 0.512177 0.0807075   0.0285855   -0.0313308  57  TYR   A CA   
2494 C C    . TYR   B 45  ? 0.451916 0.315135 0.555267 0.0900901   0.0335838   -0.0397628  57  TYR   A C    
2495 O O    . TYR   B 45  ? 0.431081 0.287903 0.551158 0.0859719   0.0387828   -0.0630671  57  TYR   A O    
2496 C CB   . TYR   B 45  ? 0.40899  0.291392 0.472028 0.0709074   0.013264    -0.0380558  57  TYR   A CB   
2497 C CG   . TYR   B 45  ? 0.390576 0.284062 0.445883 0.059986    0.00702956  -0.0627054  57  TYR   A CG   
2498 C CD1  . TYR   B 45  ? 0.432483 0.325204 0.496681 0.0462293   0.00253754  -0.0801661  57  TYR   A CD1  
2499 C CD2  . TYR   B 45  ? 0.367401 0.276644 0.40649  0.0619638   0.00573947  -0.0689221  57  TYR   A CD2  
2500 C CE1  . TYR   B 45  ? 0.449934 0.355547 0.503451 0.0356354   -0.00199835 -0.103922   57  TYR   A CE1  
2501 C CE2  . TYR   B 45  ? 0.398487 0.320665 0.427936 0.0513069   0.00337926  -0.0917149  57  TYR   A CE2  
2502 C CZ   . TYR   B 45  ? 0.422525 0.343328 0.454565 0.0376292   -0.00174455 -0.108376   57  TYR   A CZ   
2503 O OH   . TYR   B 45  ? 0.401617 0.340003 0.416917 0.0268692   -0.00384235 -0.130421   57  TYR   A OH   
2504 H H    . TYR   B 45  ? 0.450055 0.289275 0.585783 0.0664089   0.0367012   -0.0598567  57  TYR   A H    
2505 H HA   . TYR   B 45  ? 0.427272 0.286132 0.52025  0.0883017   0.0316759   -0.0120884  57  TYR   A HA   
2506 H HB2  . TYR   B 45  ? 0.394484 0.285957 0.440674 0.0764048   0.0102479   -0.0281763  57  TYR   A HB2  
2507 H HB3  . TYR   B 45  ? 0.397316 0.278012 0.461533 0.0660673   0.010712    -0.0350777  57  TYR   A HB3  
2508 H HD1  . TYR   B 45  ? 0.426175 0.310832 0.506037 0.0439638   0.00406727  -0.0771089  57  TYR   A HD1  
2509 H HD2  . TYR   B 45  ? 0.37415  0.287747 0.409481 0.0705013   0.00735817  -0.057759   57  TYR   A HD2  
2510 H HE1  . TYR   B 45  ? 0.447334 0.356002 0.504609 0.0256019   -0.00691137 -0.115857   57  TYR   A HE1  
2511 H HE2  . TYR   B 45  ? 0.397261 0.33254  0.416289 0.0521333   0.00421178  -0.0951809  57  TYR   A HE2  
2513 N N    . LYS   B 46  ? 0.414485 0.2937   0.50226  0.101425    0.0302849   -0.0241365  58  LYS   A N    
2514 C CA   . LYS   B 46  ? 0.425316 0.321038 0.514946 0.109684    0.0311486   -0.0311061  58  LYS   A CA   
2515 C C    . LYS   B 46  ? 0.442807 0.367439 0.498744 0.105169    0.0188201   -0.0267934  58  LYS   A C    
2516 O O    . LYS   B 46  ? 0.439663 0.368297 0.477424 0.105554    0.0123845   -0.00969205 58  LYS   A O    
2517 C CB   . LYS   B 46  ? 0.47547  0.365891 0.589987 0.131119    0.0390821   -0.0106801  58  LYS   A CB   
2518 C CG   . LYS   B 46  ? 0.515062 0.372925 0.667091 0.137554    0.0526852   -0.0111662  58  LYS   A CG   
2519 C CD   . LYS   B 46  ? 0.556694 0.409444 0.738311 0.161426    0.0600551   0.00851432  58  LYS   A CD   
2520 C CE   . LYS   B 46  ? 0.599555 0.435748 0.788177 0.172126    0.0631653   0.0451317   58  LYS   A CE   
2521 N NZ   . LYS   B 46  ? 0.586434 0.407845 0.814739 0.1947      0.072232    0.0599773   58  LYS   A NZ   
2522 H H    . LYS   B 46  ? 0.417867 0.300236 0.494058 0.103789    0.0274325   -0.00871787 58  LYS   A H    
2523 H HA   . LYS   B 46  ? 0.441571 0.33588  0.538666 0.104242    0.0343328   -0.0513674  58  LYS   A HA   
2524 H HB2  . LYS   B 46  ? 0.46733  0.362146 0.570158 0.135175    0.0351134   0.00920819  58  LYS   A HB2  
2525 H HB3  . LYS   B 46  ? 0.470304 0.37746  0.587187 0.136924    0.0385098   -0.0156266  58  LYS   A HB3  
2526 H HG2  . LYS   B 46  ? 0.521755 0.373948 0.682699 0.130296    0.0563777   -0.0346043  58  LYS   A HG2  
2527 H HG3  . LYS   B 46  ? 0.518621 0.362337 0.67036  0.132888    0.0540022   -0.0013326  58  LYS   A HG3  
2528 H HD2  . LYS   B 46  ? 0.548011 0.426267 0.720206 0.16748     0.0540763   0.0108389   58  LYS   A HD2  
2529 H HD3  . LYS   B 46  ? 0.574067 0.41125  0.782085 0.164484    0.0691962   -0.0063617  58  LYS   A HD3  
2530 H HE2  . LYS   B 46  ? 0.5877   0.40355  0.780409 0.162947    0.0681315   0.0446497   58  LYS   A HE2  
2531 H HE3  . LYS   B 46  ? 0.571284 0.427624 0.735315 0.173431    0.0546297   0.0602918   58  LYS   A HE3  
2532 H HZ1  . LYS   B 46  ? 0.614415 0.411739 0.867329 0.193069    0.0817212   0.0464745   58  LYS   A HZ1  
2533 H HZ2  . LYS   B 46  ? 0.594391 0.436611 0.82406  0.203117    0.0683023   0.0566551   58  LYS   A HZ2  
2534 H HZ3  . LYS   B 46  ? 0.61167  0.427532 0.840343 0.20227     0.0725994   0.0865201   58  LYS   A HZ3  
2535 N N    . GLY   B 47  ? 0.371621 0.315899 0.418683 0.0984771   0.0167629   -0.0444725  59  GLY   A N    
2536 C CA   . GLY   B 47  ? 0.403734 0.372661 0.421551 0.0893714   0.00639216  -0.0429371  59  GLY   A CA   
2537 C C    . GLY   B 47  ? 0.408013 0.405034 0.432887 0.0937829   0.0101306   -0.0499625  59  GLY   A C    
2538 O O    . GLY   B 47  ? 0.412061 0.410541 0.459301 0.0995383   0.0212214   -0.0658002  59  GLY   A O    
2539 H H    . GLY   B 47  ? 0.406225 0.347997 0.466834 0.0988363   0.0232667   -0.0587237  59  GLY   A H    
2540 H HA2  . GLY   B 47  ? 0.386787 0.356464 0.395303 0.091724    0.00130657  -0.0285804  59  GLY   A HA2  
2541 H HA3  . GLY   B 47  ? 0.389933 0.357564 0.393269 0.0771153   0.00209656  -0.0516106  59  GLY   A HA3  
2542 N N    . LYS   B 48  ? 0.342993 0.364492 0.352876 0.0911951   0.00217521  -0.0402101  60  LYS   A N    
2543 C CA   . LYS   B 48  ? 0.361295 0.416597 0.380035 0.0925487   0.00533601  -0.0466869  60  LYS   A CA   
2544 C C    . LYS   B 48  ? 0.372692 0.44995  0.365636 0.0766257   -0.00494187 -0.0423693  60  LYS   A C    
2545 O O    . LYS   B 48  ? 0.356038 0.420662 0.32842  0.0702098   -0.0148664  -0.0318382  60  LYS   A O    
2546 C CB   . LYS   B 48  ? 0.425227 0.495246 0.476919 0.115082    0.0093451   -0.0358356  60  LYS   A CB   
2547 C CG   . LYS   B 48  ? 0.406555 0.475014 0.452408 0.123925    -0.00078222 -0.0107132  60  LYS   A CG   
2548 C CD   . LYS   B 48  ? 0.446029 0.538522 0.523059 0.146016    -0.00034949 0.00333122  60  LYS   A CD   
2549 C CE   . LYS   B 48  ? 0.520614 0.618101 0.585435 0.15348     -0.0117569  0.0291032   60  LYS   A CE   
2550 N NZ   . LYS   B 48  ? 0.5632   0.693108 0.659885 0.175602    -0.0146845  0.0449436   60  LYS   A NZ   
2551 H H    . LYS   B 48  ? 0.353969 0.371912 0.349382 0.0878686   -0.00486177 -0.0304617  60  LYS   A H    
2552 H HA   . LYS   B 48  ? 0.378313 0.43542  0.400518 0.0883014   0.0123679   -0.062321   60  LYS   A HA   
2553 H HB2  . LYS   B 48  ? 0.405777 0.503486 0.464375 0.114843    0.0104363   -0.040314   60  LYS   A HB2  
2554 H HB3  . LYS   B 48  ? 0.417223 0.47236  0.489416 0.124695    0.0180985   -0.040951   60  LYS   A HB3  
2555 H HG2  . LYS   B 48  ? 0.419911 0.462418 0.463411 0.125999    0.00078978  -0.00548263 60  LYS   A HG2  
2556 H HG3  . LYS   B 48  ? 0.408978 0.488038 0.433458 0.112887    -0.00916874 -0.00867945 60  LYS   A HG3  
2557 H HD2  . LYS   B 48  ? 0.44977  0.571392 0.532926 0.143787    -0.00139093 -0.0030179  60  LYS   A HD2  
2558 H HD3  . LYS   B 48  ? 0.464297 0.542069 0.565137 0.157899    0.00878292  0.00177193  60  LYS   A HD3  
2559 H HE2  . LYS   B 48  ? 0.516537 0.587344 0.578216 0.156884    -0.0086835  0.0369453   60  LYS   A HE2  
2560 H HE3  . LYS   B 48  ? 0.501643 0.610418 0.542819 0.140927    -0.020147   0.0278419   60  LYS   A HE3  
2561 H HZ1  . LYS   B 48  ? 0.562625 0.679475 0.684064 0.188115    -0.00606136 0.0457005   60  LYS   A HZ1  
2562 H HZ2  . LYS   B 48  ? 0.546367 0.704471 0.647993 0.171738    -0.0174835  0.0373048   60  LYS   A HZ2  
2563 H HZ3  . LYS   B 48  ? 0.559386 0.694947 0.64684  0.180376    -0.0222858  0.0616462   60  LYS   A HZ3  
2564 N N    . LEU   B 49  ? 0.340884 0.450115 0.338326 0.0703099   -0.00059069 -0.051689   61  LEU   A N    
2565 C CA   . LEU   B 49  ? 0.380393 0.513733 0.362015 0.054897    -0.0087841  -0.0464766  61  LEU   A CA   
2566 C C    . LEU   B 49  ? 0.485938 0.637197 0.483081 0.068405    -0.0161873  -0.0325569  61  LEU   A C    
2567 O O    . LEU   B 49  ? 0.390477 0.548092 0.415804 0.0897956   -0.0117927  -0.0279465  61  LEU   A O    
2568 C CB   . LEU   B 49  ? 0.393238 0.56024  0.378352 0.0430496   0.00022139  -0.0590597  61  LEU   A CB   
2569 C CG   . LEU   B 49  ? 0.443443 0.59874  0.407855 0.0293575   0.00743141  -0.0724217  61  LEU   A CG   
2570 C CD1  . LEU   B 49  ? 0.52988  0.723502 0.493162 0.0157234   0.0190162   -0.0838351  61  LEU   A CD1  
2571 C CD2  . LEU   B 49  ? 0.460394 0.584296 0.392241 0.0152726   -0.00503187 -0.0625075  61  LEU   A CD2  
2572 H H    . LEU   B 49  ? 0.36479  0.481383 0.376665 0.0748188   0.00856488  -0.0623711  61  LEU   A H    
2573 H HA   . LEU   B 49  ? 0.389287 0.504898 0.348941 0.0439648   -0.0153471  -0.0429603  61  LEU   A HA   
2574 H HB2  . LEU   B 49  ? 0.401243 0.587378 0.411747 0.0555333   0.00726879  -0.0633258  61  LEU   A HB2  
2575 H HB3  . LEU   B 49  ? 0.398634 0.580326 0.375549 0.0313578   -0.00524242 -0.0541992  61  LEU   A HB3  
2576 H HG   . LEU   B 49  ? 0.453681 0.596656 0.428833 0.0399502   0.0133005   -0.0804436  61  LEU   A HG   
2577 H HD11 . LEU   B 49  ? 0.506803 0.720128 0.495486 0.0274823   0.0280213   -0.0917003  61  LEU   A HD11 
2578 H HD12 . LEU   B 49  ? 0.51671  0.70355  0.462144 0.00668976  0.0226385   -0.0912649  61  LEU   A HD12 
2579 H HD13 . LEU   B 49  ? 0.504406 0.710646 0.46024  0.00398876  0.014214    -0.0758006  61  LEU   A HD13 
2580 H HD21 . LEU   B 49  ? 0.450902 0.551909 0.385046 0.0239847   -0.00761165 -0.0609459  61  LEU   A HD21 
2581 H HD22 . LEU   B 49  ? 0.450046 0.576444 0.376493 0.00967982  -0.012105   -0.0532486  61  LEU   A HD22 
2582 H HD23 . LEU   B 49  ? 0.464788 0.589734 0.380038 0.00301901  -0.00316612 -0.0669713  61  LEU   A HD23 
2583 N N    . SER   B 50  ? 0.491934 0.648854 0.470099 0.0562874   -0.0282487  -0.0251796  62  SER   A N    
2584 C CA   . SER   B 50  ? 0.549845 0.727511 0.535443 0.0665302   -0.0381371  -0.012973   62  SER   A CA   
2585 C C    . SER   B 50  ? 0.566914 0.78979  0.589138 0.080913    -0.0355812  -0.0113625  62  SER   A C    
2586 O O    . SER   B 50  ? 0.682766 0.917592 0.721844 0.101137    -0.0403072  0.00246718  62  SER   A O    
2587 C CB   . SER   B 50  ? 0.511641 0.696115 0.473761 0.0460515   -0.0499891  -0.0135621  62  SER   A CB   
2588 O OG   . SER   B 50  ? 0.463958 0.684577 0.437338 0.0310281   -0.0489704  -0.0211316  62  SER   A OG   
2589 H H    . SER   B 50  ? 0.500578 0.648695 0.460764 0.0412775   -0.0306812  -0.0279832  62  SER   A H    
2590 H HA   . SER   B 50  ? 0.535233 0.6934   0.518424 0.0776634   -0.0387648  -0.00527377 62  SER   A HA   
2591 H HB2  . SER   B 50  ? 0.511475 0.705148 0.471821 0.0519868   -0.057395   -0.00681825 62  SER   A HB2  
2592 H HB3  . SER   B 50  ? 0.507242 0.663593 0.450399 0.036953    -0.0501365  -0.0159386  62  SER   A HB3  
2594 N N    . ASN   B 51  ? 0.6019   0.851549 0.635312 0.0693759   -0.0282477  -0.0239422  63  ASN   A N    
2595 C CA   . ASN   B 51  ? 0.666748 0.961527 0.73933  0.0795472   -0.0196748  -0.0297187  63  ASN   A CA   
2596 C C    . ASN   B 51  ? 0.689262 0.975548 0.794221 0.105849    -0.00582193 -0.033327   63  ASN   A C    
2597 O O    . ASN   B 51  ? 0.741373 1.0663   0.88555  0.119642    0.00074587  -0.0366347  63  ASN   A O    
2598 C CB   . ASN   B 51  ? 0.571487 0.882104 0.639361 0.0581841   -0.00773457 -0.0460347  63  ASN   A CB   
2599 H H    . ASN   B 51  ? 0.603437 0.842734 0.617738 0.0524495   -0.0278311  -0.0294125  63  ASN   A H    
2600 H HA   . ASN   B 51  ? 0.637445 0.96333  0.722398 0.0818877   -0.0282079  -0.0231521  63  ASN   A HA   
2603 N N    . GLY   B 52  ? 0.754695 0.992288 0.848704 0.112639    -0.00045359 -0.0343251  64  GLY   A N    
2604 C CA   . GLY   B 52  ? 0.65288  0.873227 0.778576 0.135136    0.0133978   -0.0399932  64  GLY   A CA   
2605 C C    . GLY   B 52  ? 0.76464  1.00257  0.908795 0.132964    0.0321108   -0.0659592  64  GLY   A C    
2606 O O    . GLY   B 52  ? 0.687547 0.938249 0.874466 0.154642    0.043939    -0.0724388  64  GLY   A O    
2607 H H    . GLY   B 52  ? 0.705664 0.919132 0.773183 0.102138    -0.00539004 -0.0321806  64  GLY   A H    
2608 H HA2  . GLY   B 52  ? 0.702347 0.886688 0.814849 0.134692    0.014077    -0.0390449  64  GLY   A HA2  
2609 H HA3  . GLY   B 52  ? 0.704769 0.937022 0.854724 0.153087    0.010371    -0.0276025  64  GLY   A HA3  
2610 N N    . LYS   B 53  ? 0.750075 0.988654 0.862791 0.107733    0.0365524   -0.0815865  65  LYS   A N    
2611 C CA   . LYS   B 53  ? 0.760258 1.02323  0.88505  0.103741    0.0557172   -0.106739   65  LYS   A CA   
2612 C C    . LYS   B 53  ? 0.700946 0.926639 0.807605 0.0982171   0.0659043   -0.127087   65  LYS   A C    
2613 O O    . LYS   B 53  ? 0.615422 0.850826 0.738586 0.102744    0.0844674   -0.152373   65  LYS   A O    
2614 C CB   . LYS   B 53  ? 0.775318 1.08275  0.88616  0.0807935   0.0547836   -0.106883   65  LYS   A CB   
2615 H H    . LYS   B 53  ? 0.741749 0.967085 0.825478 0.0932583   0.0281158   -0.0761456  65  LYS   A H    
2616 H HA   . LYS   B 53  ? 0.755482 1.0344   0.916634 0.12231     0.0630201   -0.109641   65  LYS   A HA   
2619 N N    . LYS   B 54  ? 0.518503 0.703702 0.594313 0.0892729   0.0536314   -0.117515   66  LYS   A N    
2620 C CA   . LYS   B 54  ? 0.524552 0.675282 0.582228 0.0818268   0.0570501   -0.132713   66  LYS   A CA   
2621 C C    . LYS   B 54  ? 0.577688 0.686873 0.640581 0.0925697   0.0470436   -0.115874   66  LYS   A C    
2622 O O    . LYS   B 54  ? 0.580642 0.687425 0.633111 0.0925667   0.0332152   -0.0922241  66  LYS   A O    
2623 C CB   . LYS   B 54  ? 0.466643 0.619355 0.476002 0.0539      0.0491829   -0.133071   66  LYS   A CB   
2624 H H    . LYS   B 54  ? 0.544912 0.726232 0.611294 0.0872417   0.0418347   -0.100764   66  LYS   A H    
2625 H HA   . LYS   B 54  ? 0.540832 0.694322 0.615675 0.0881665   0.0703153   -0.151797   66  LYS   A HA   
2628 N N    . PHE   B 55  ? 0.473037 0.550937 0.549044 0.0982618   0.0544968   -0.129497   67  PHE   A N    
2629 C CA   . PHE   B 55  ? 0.502111 0.542508 0.592598 0.109844    0.0501285   -0.11381    67  PHE   A CA   
2630 C C    . PHE   B 55  ? 0.50912  0.519326 0.594957 0.0994888   0.0537229   -0.133174   67  PHE   A C    
2631 O O    . PHE   B 55  ? 0.609829 0.620834 0.709296 0.0991826   0.0671343   -0.161533   67  PHE   A O    
2632 C CB   . PHE   B 55  ? 0.560897 0.599627 0.698676 0.137068    0.0599254   -0.106938   67  PHE   A CB   
2633 C CG   . PHE   B 55  ? 0.678277 0.684111 0.832592 0.151686    0.0560148   -0.0809455  67  PHE   A CG   
2634 C CD1  . PHE   B 55  ? 0.756286 0.719741 0.926174 0.152217    0.0636529   -0.0878611  67  PHE   A CD1  
2635 C CD2  . PHE   B 55  ? 0.820139 0.839909 0.975142 0.16376     0.0454854   -0.0496045  67  PHE   A CD2  
2636 C CE1  . PHE   B 55  ? 0.83583  0.770058 1.02106  0.163788    0.0626237   -0.0612317  67  PHE   A CE1  
2637 C CE2  . PHE   B 55  ? 0.824606 0.817338 0.989817 0.176195    0.0433408   -0.0233841  67  PHE   A CE2  
2638 C CZ   . PHE   B 55  ? 0.850917 0.800213 1.03186  0.17636     0.0529994   -0.0277134  67  PHE   A CZ   
2639 H H    . PHE   B 55  ? 0.519005 0.599705 0.594985 0.0935666   0.063342    -0.14998    67  PHE   A H    
2640 H HA   . PHE   B 55  ? 0.488149 0.526898 0.562428 0.10647     0.0389714   -0.0954322  67  PHE   A HA   
2641 H HB2  . PHE   B 55  ? 0.566121 0.633179 0.708143 0.142033    0.0577911   -0.0996137  67  PHE   A HB2  
2642 H HB3  . PHE   B 55  ? 0.589286 0.623311 0.745503 0.140842    0.0721575   -0.127254   67  PHE   A HB3  
2643 H HD1  . PHE   B 55  ? 0.765319 0.72123  0.93451  0.143111    0.0697188   -0.110853   67  PHE   A HD1  
2644 H HD2  . PHE   B 55  ? 0.768224 0.817517 0.915097 0.162023    0.0397099   -0.0460919  67  PHE   A HD2  
2645 H HE1  . PHE   B 55  ? 0.835701 0.741636 1.03347  0.162017    0.0686295   -0.0660621  67  PHE   A HE1  
2646 H HE2  . PHE   B 55  ? 0.822033 0.827585 0.983406 0.183427    0.035627    -0.00269752 67  PHE   A HE2  
2647 H HZ   . PHE   B 55  ? 0.849842 0.781432 1.0377   0.183532    0.0529493   -0.00828319 67  PHE   A HZ   
2648 N N    . ASP   B 56  ? 0.453227 0.4393   0.525685 0.0926943   0.0432968   -0.119831   68  ASP   A N    
2649 C CA   . ASP   B 56  ? 0.483955 0.448355 0.552647 0.0799887   0.0431882   -0.13691    68  ASP   A CA   
2650 C C    . ASP   B 56  ? 0.498912 0.429703 0.588909 0.087479    0.0428947   -0.120513   68  ASP   A C    
2651 O O    . ASP   B 56  ? 0.488494 0.416993 0.56907  0.0912826   0.034521    -0.0936248  68  ASP   A O    
2652 C CB   . ASP   B 56  ? 0.447442 0.426256 0.474588 0.0591706   0.0291146   -0.137289   68  ASP   A CB   
2653 C CG   . ASP   B 56  ? 0.508873 0.473399 0.52915  0.0448554   0.0226258   -0.149369   68  ASP   A CG   
2654 O OD1  . ASP   B 56  ? 0.497221 0.452656 0.534273 0.0417887   0.031358    -0.175129   68  ASP   A OD1  
2655 O OD2  . ASP   B 56  ? 0.524771 0.492055 0.521827 0.0354384   0.00823862  -0.13554    68  ASP   A OD2  
2656 H H    . ASP   B 56  ? 0.456113 0.441581 0.522602 0.0958169   0.0360173   -0.100221   68  ASP   A H    
2657 H HA   . ASP   B 56  ? 0.496701 0.460636 0.577728 0.0799984   0.0530009   -0.158744   68  ASP   A HA   
2658 H HB2  . ASP   B 56  ? 0.470116 0.469806 0.484047 0.053234    0.0314454   -0.147915   68  ASP   A HB2  
2659 H HB3  . ASP   B 56  ? 0.449379 0.429887 0.465848 0.0602154   0.0209999   -0.117685   68  ASP   A HB3  
2660 N N    . SER   B 57  ? 0.523835 0.428898 0.638948 0.08549     0.0516878   -0.137983   69  SER   A N    
2661 C CA   . SER   B 57  ? 0.574988 0.451257 0.705368 0.0854419   0.0504925   -0.121634   69  SER   A CA   
2662 C C    . SER   B 57  ? 0.597916 0.458806 0.737921 0.0680102   0.0510662   -0.146285   69  SER   A C    
2663 O O    . SER   B 57  ? 0.584891 0.44194  0.737921 0.0630097   0.059748    -0.178223   69  SER   A O    
2664 C CB   . SER   B 57  ? 0.639641 0.491252 0.807788 0.10585     0.0629695   -0.104226   69  SER   A CB   
2665 O OG   . SER   B 57  ? 0.735314 0.573057 0.933974 0.109805    0.0771122   -0.131451   69  SER   A OG   
2666 H H    . SER   B 57  ? 0.549568 0.45521  0.673001 0.0832763   0.0590832   -0.160246   69  SER   A H    
2667 H HA   . SER   B 57  ? 0.554084 0.437871 0.66536  0.0831436   0.0411624   -0.104281   69  SER   A HA   
2668 H HB2  . SER   B 57  ? 0.644704 0.47811  0.821893 0.104494    0.0636515   -0.0918113  69  SER   A HB2  
2669 H HB3  . SER   B 57  ? 0.632616 0.497337 0.795544 0.117061    0.0607979   -0.0875216  69  SER   A HB3  
2671 N N    . SER   B 58  ? 0.554878 0.406471 0.694867 0.0607228   0.0440391   -0.131285   70  SER   A N    
2672 C CA   . SER   B 58  ? 0.596709 0.43576  0.754481 0.0442777   0.0436823   -0.150204   70  SER   A CA   
2673 C C    . SER   B 58  ? 0.605048 0.409667 0.807854 0.0483924   0.0614613   -0.162538   70  SER   A C    
2674 O O    . SER   B 58  ? 0.650464 0.446474 0.870052 0.0338485   0.0646512   -0.194119   70  SER   A O    
2675 C CB   . SER   B 58  ? 0.543535 0.383135 0.699116 0.0394081   0.0354836   -0.128481   70  SER   A CB   
2676 O OG   . SER   B 58  ? 0.55549  0.377803 0.724625 0.0543654   0.0445913   -0.097221   70  SER   A OG   
2677 H H    . SER   B 58  ? 0.552962 0.40817  0.682949 0.0656954   0.0396519   -0.109898   70  SER   A H    
2678 H HA   . SER   B 58  ? 0.584535 0.439581 0.726554 0.0330039   0.0372116   -0.170656   70  SER   A HA   
2679 H HB2  . SER   B 58  ? 0.564957 0.399259 0.736421 0.0280468   0.0349939   -0.140582   70  SER   A HB2  
2680 H HB3  . SER   B 58  ? 0.538143 0.397279 0.667334 0.0365135   0.0242076   -0.123753   70  SER   A HB3  
2682 N N    . HIS   B 59  ? 0.575554 0.360049 0.79899  0.0684189   0.0729053   -0.138005   71  HIS   A N    
2683 C CA   . HIS   B 59  ? 0.656581 0.402291 0.927205 0.0758234   0.0910405   -0.144479   71  HIS   A CA   
2684 C C    . HIS   B 59  ? 0.706872 0.452482 0.987539 0.0752233   0.09933     -0.185704   71  HIS   A C    
2685 O O    . HIS   B 59  ? 0.741961 0.455064 1.06102  0.0720926   0.113       -0.207864   71  HIS   A O    
2686 C CB   . HIS   B 59  ? 0.683095 0.414048 0.967563 0.0997171   0.0981043   -0.102965   71  HIS   A CB   
2687 C CG   . HIS   B 59  ? 0.752253 0.478227 1.0314   0.0970275   0.0953647   -0.0680924  71  HIS   A CG   
2688 N ND1  . HIS   B 59  ? 0.750986 0.4513   1.05765  0.0829984   0.102987    -0.0677469  71  HIS   A ND1  
2689 C CD2  . HIS   B 59  ? 0.737367 0.483783 0.986665 0.104547    0.0870595   -0.0359047  71  HIS   A CD2  
2690 C CE1  . HIS   B 59  ? 0.789215 0.494813 1.08428  0.0839085   0.101573    -0.0345083  71  HIS   A CE1  
2691 N NE2  . HIS   B 59  ? 0.703416 0.436676 0.961506 0.0969064   0.0916022   -0.0165303  71  HIS   A NE2  
2692 H H    . HIS   B 59  ? 0.578469 0.373006 0.787148 0.0777108   0.0690209   -0.116037   71  HIS   A H    
2693 H HA   . HIS   B 59  ? 0.667062 0.397603 0.953975 0.0638945   0.0929316   -0.148798   71  HIS   A HA   
2694 H HB2  . HIS   B 59  ? 0.678922 0.431245 0.944592 0.109835    0.0931044   -0.096008   71  HIS   A HB2  
2695 H HB3  . HIS   B 59  ? 0.722039 0.426776 1.03895  0.107611    0.110204    -0.105923   71  HIS   A HB3  
2697 H HD2  . HIS   B 59  ? 0.710761 0.477397 0.938569 0.112688    0.0803499   -0.0291012  71  HIS   A HD2  
2698 H HE1  . HIS   B 59  ? 0.770556 0.464697 1.08073  0.0752137   0.106959    -0.0270738  71  HIS   A HE1  
2700 N N    . ASP   B 60  ? 0.769434 0.551167 1.01642  0.0758249   0.0927095   -0.199244   72  ASP   A N    
2701 C CA   . ASP   B 60  ? 0.800994 0.589651 1.05194  0.0723944   0.102289    -0.24243    72  ASP   A CA   
2702 C C    . ASP   B 60  ? 0.779193 0.562535 1.03089  0.0465579   0.100718    -0.281935   72  ASP   A C    
2703 O O    . ASP   B 60  ? 0.832514 0.610379 1.09719  0.0423557   0.112764    -0.322663   72  ASP   A O    
2704 C CB   . ASP   B 60  ? 0.89212  0.727036 1.1003   0.070905    0.095253    -0.250245   72  ASP   A CB   
2705 C CG   . ASP   B 60  ? 0.935001 0.788191 1.13941  0.0925498   0.0953332   -0.220176   72  ASP   A CG   
2706 O OD1  . ASP   B 60  ? 1.00399  0.835772 1.24849  0.114297    0.107895    -0.209901   72  ASP   A OD1  
2707 O OD2  . ASP   B 60  ? 0.760144 0.649577 0.924173 0.0871004   0.0828492   -0.208351   72  ASP   A OD2  
2708 H H    . ASP   B 60  ? 0.724154 0.526748 0.945656 0.0780409   0.0833478   -0.181821   72  ASP   A H    
2709 H HA   . ASP   B 60  ? 0.829831 0.598228 1.11218  0.0868763   0.115605    -0.24421    72  ASP   A HA   
2710 H HB2  . ASP   B 60  ? 0.859334 0.7116   1.03759  0.0569322   0.0819978   -0.247436   72  ASP   A HB2  
2711 H HB3  . ASP   B 60  ? 0.898559 0.738125 1.1099   0.0674208   0.103763    -0.280842   72  ASP   A HB3  
2712 N N    . ARG   B 61  ? 0.750864 0.541218 0.987917 0.0288913   0.085398    -0.272981   73  ARG   A N    
2713 C CA   . ARG   B 61  ? 0.805744 0.600897 1.04212  0.00251351  0.0786218   -0.307483   73  ARG   A CA   
2714 C C    . ARG   B 61  ? 0.814546 0.573648 1.09574  -0.00425934 0.0836204   -0.29911    73  ARG   A C    
2715 O O    . ARG   B 61  ? 0.804353 0.566092 1.09522  -0.0274484  0.0773394   -0.324157   73  ARG   A O    
2716 C CB   . ARG   B 61  ? 0.812608 0.653054 0.997501 -0.010479   0.0549921   -0.299288   73  ARG   A CB   
2717 C CG   . ARG   B 61  ? 0.819059 0.691894 0.962227 -0.00486615 0.0533784   -0.303314   73  ARG   A CG   
2718 C CD   . ARG   B 61  ? 0.727335 0.640015 0.819939 -0.0161319  0.0317527   -0.29076    73  ARG   A CD   
2719 N NE   . ARG   B 61  ? 0.706667 0.618965 0.792805 -0.00811365 0.0200297   -0.247771   73  ARG   A NE   
2720 C CZ   . ARG   B 61  ? 0.755962 0.670775 0.830333 0.00749845  0.0206445   -0.217499   73  ARG   A CZ   
2721 N NH1  . ARG   B 61  ? 0.713609 0.636732 0.781181 0.0183825   0.0312496   -0.220296   73  ARG   A NH1  
2722 N NH2  . ARG   B 61  ? 0.659016 0.571462 0.729879 0.0105971   0.0101035   -0.186859   73  ARG   A NH2  
2723 H H    . ARG   B 61  ? 0.736273 0.532342 0.962677 0.0333266   0.0778894   -0.244581   73  ARG   A H    
2724 H HA   . ARG   B 61  ? 0.831605 0.625537 1.07219  -0.00135196 0.0868051   -0.339847   73  ARG   A HA   
2725 H HB2  . ARG   B 61  ? 0.782369 0.622464 0.965451 -0.00577319 0.0483196   -0.269729   73  ARG   A HB2  
2726 H HB3  . ARG   B 61  ? 0.820865 0.670779 1.00276  -0.0279172  0.0474454   -0.320257   73  ARG   A HB3  
2727 H HG2  . ARG   B 61  ? 0.825599 0.700533 0.970366 -0.00948143 0.0617679   -0.334189   73  ARG   A HG2  
2728 H HG3  . ARG   B 61  ? 0.78599  0.651406 0.936045 0.0119373   0.0605939   -0.284315   73  ARG   A HG3  
2729 H HD2  . ARG   B 61  ? 0.760155 0.683665 0.845516 -0.0320615  0.0228754   -0.308036   73  ARG   A HD2  
2730 H HD3  . ARG   B 61  ? 0.74899  0.679445 0.819247 -0.0140926  0.0344286   -0.29619    73  ARG   A HD3  
2731 H HE   . ARG   B 61  ? 0.714858 0.626253 0.806348 -0.0149801  0.0117786   -0.243112   73  ARG   A HE   
2732 H HH11 . ARG   B 61  ? 0.744631 0.662893 0.825585 0.0205895   0.0422411   -0.239525   73  ARG   A HH11 
2733 H HH12 . ARG   B 61  ? 0.710483 0.644639 0.76222  0.0231994   0.0275282   -0.203615   73  ARG   A HH12 
2734 H HH21 . ARG   B 61  ? 0.677297 0.593338 0.747494 0.00210247  0.00106624  -0.186297   73  ARG   A HH21 
2735 H HH22 . ARG   B 61  ? 0.664968 0.573729 0.734784 0.0213045   0.0123413   -0.168077   73  ARG   A HH22 
2736 N N    . ASN   B 62  ? 0.761199 0.490983 1.06826  0.0152574   0.094241    -0.261376   74  ASN   A N    
2737 C CA   . ASN   B 62  ? 0.770792 0.4647   1.11989  0.0121777   0.102883    -0.24172    74  ASN   A CA   
2738 C C    . ASN   B 62  ? 0.709687 0.423515 1.05431  -0.011753   0.0883102   -0.243371   74  ASN   A C    
2739 O O    . ASN   B 62  ? 0.7862   0.477924 1.16997  -0.0275985  0.0948486   -0.253007   74  ASN   A O    
2740 C CB   . ASN   B 62  ? 0.878609 0.523513 1.28025  0.01395     0.124557    -0.263796   74  ASN   A CB   
2741 C CG   . ASN   B 62  ? 0.847932 0.447592 1.29545  0.0186209   0.138865    -0.230904   74  ASN   A CG   
2742 O OD1  . ASN   B 62  ? 0.828119 0.42381  1.27077  0.0378802   0.140827    -0.184088   74  ASN   A OD1  
2743 N ND2  . ASN   B 62  ? 0.820354 0.386485 1.31194  -0.00038838 0.149297    -0.254113   74  ASN   A ND2  
2744 H H    . ASN   B 62  ? 0.76004  0.494316 1.05722  0.0312862   0.0964633   -0.245788   74  ASN   A H    
2745 H HA   . ASN   B 62  ? 0.75633  0.445959 1.10305  0.0271554   0.104744    -0.207948   74  ASN   A HA   
2746 H HB2  . ASN   B 62  ? 0.860527 0.501839 1.26157  0.0295131   0.131446    -0.267857   74  ASN   A HB2  
2747 H HB3  . ASN   B 62  ? 0.871369 0.517685 1.27917  -0.00399113 0.123313    -0.298344   74  ASN   A HB3  
2748 H HD21 . ASN   B 62  ? 0.852007 0.394353 1.36907  -0.0014579  0.157101    -0.233677   74  ASN   A HD21 
2749 H HD22 . ASN   B 62  ? 0.858632 0.426259 1.35447  -0.0130727  0.148878    -0.290464   74  ASN   A HD22 
2750 N N    . GLU   B 63  ? 0.657314 0.413514 0.958195 -0.0143978  0.0686764   -0.233831   75  GLU   A N    
2751 C CA   . GLU   B 63  ? 0.674906 0.456788 0.97291  -0.0335118  0.0524976   -0.234191   75  GLU   A CA   
2752 C C    . GLU   B 63  ? 0.610111 0.418309 0.873269 -0.0221464  0.0397962   -0.198766   75  GLU   A C    
2753 O O    . GLU   B 63  ? 0.52105  0.340088 0.749598 -0.00769983 0.0366359   -0.187844   75  GLU   A O    
2754 C CB   . GLU   B 63  ? 0.683835 0.499812 0.963448 -0.055762   0.0346282   -0.272081   75  GLU   A CB   
2755 C CG   . GLU   B 63  ? 0.800897 0.599907 1.11792  -0.0770039  0.0417449   -0.314      75  GLU   A CG   
2756 C CD   . GLU   B 63  ? 0.87505  0.645277 1.24853  -0.0879325  0.0528203   -0.307551   75  GLU   A CD   
2757 O OE1  . GLU   B 63  ? 0.898315 0.627119 1.30795  -0.0903571  0.0719489   -0.327091   75  GLU   A OE1  
2758 O OE2  . GLU   B 63  ? 0.900418 0.686819 1.2868   -0.0946076  0.0450314   -0.285534   75  GLU   A OE2  
2759 H H    . GLU   B 63  ? 0.653795 0.423363 0.928484 -0.00350425 0.0653015   -0.225867   75  GLU   A H    
2760 H HA   . GLU   B 63  ? 0.675986 0.439576 1.00688  -0.0393468  0.060146    -0.228849   75  GLU   A HA   
2761 H HB2  . GLU   B 63  ? 0.696888 0.526732 0.946169 -0.0510751  0.0308016   -0.280008   75  GLU   A HB2  
2762 H HB3  . GLU   B 63  ? 0.681034 0.519666 0.953064 -0.0617002  0.021238    -0.261594   75  GLU   A HB3  
2763 H HG2  . GLU   B 63  ? 0.815763 0.595848 1.13606  -0.0710184  0.0537298   -0.32965    75  GLU   A HG2  
2764 H HG3  . GLU   B 63  ? 0.8003   0.627711 1.10145  -0.0918369  0.0273597   -0.335295   75  GLU   A HG3  
2765 N N    . PRO   B 64  ? 0.592946 0.4128   0.867296 -0.0286907  0.0332887   -0.181213   76  PRO   A N    
2766 C CA   . PRO   B 64  ? 0.530615 0.371747 0.775109 -0.0172924  0.0232811   -0.151662   76  PRO   A CA   
2767 C C    . PRO   B 64  ? 0.518683 0.393104 0.720487 -0.0201484  0.00243454  -0.161861   76  PRO   A C    
2768 O O    . PRO   B 64  ? 0.522427 0.414744 0.720313 -0.0358872  -0.00902115 -0.189215   76  PRO   A O    
2769 C CB   . PRO   B 64  ? 0.567129 0.415893 0.839467 -0.0248729  0.02298     -0.138159   76  PRO   A CB   
2770 C CG   . PRO   B 64  ? 0.642402 0.466639 0.963686 -0.0389313  0.0375027   -0.152218   76  PRO   A CG   
2771 C CD   . PRO   B 64  ? 0.635808 0.449081 0.955242 -0.0464895  0.0373961   -0.188763   76  PRO   A CD   
2772 H HA   . PRO   B 64  ? 0.538204 0.366195 0.775227 -0.00296519 0.0319339   -0.133437   76  PRO   A HA   
2773 H HB2  . PRO   B 64  ? 0.556859 0.430928 0.822532 -0.0323078  0.00818136  -0.144997   76  PRO   A HB2  
2774 H HB3  . PRO   B 64  ? 0.553587 0.398337 0.820757 -0.0137004  0.0288856   -0.114056   76  PRO   A HB3  
2775 H HG2  . PRO   B 64  ? 0.62421  0.463242 0.965572 -0.0515606  0.0322741   -0.15764    76  PRO   A HG2  
2776 H HG3  . PRO   B 64  ? 0.630086 0.431539 0.964479 -0.0309778  0.0525261   -0.133633   76  PRO   A HG3  
2777 H HD2  . PRO   B 64  ? 0.642272 0.475352 0.962548 -0.0613955  0.0254804   -0.211134   76  PRO   A HD2  
2778 H HD3  . PRO   B 64  ? 0.658945 0.443116 1.00539  -0.0473801  0.0521902   -0.192633   76  PRO   A HD3  
2779 N N    . PHE   B 65  ? 0.466812 0.349834 0.63643  -0.00609807 -0.00248494 -0.138225   77  PHE   A N    
2780 C CA   . PHE   B 65  ? 0.471902 0.382866 0.602888 -0.00838866 -0.0215614  -0.138642   77  PHE   A CA   
2781 C C    . PHE   B 65  ? 0.483628 0.411393 0.622648 -0.0105748  -0.0342673  -0.124048   77  PHE   A C    
2782 O O    . PHE   B 65  ? 0.438577 0.356788 0.59058  -0.00086843 -0.0257332  -0.103305   77  PHE   A O    
2783 C CB   . PHE   B 65  ? 0.460281 0.369643 0.558645 0.00612513  -0.0195476  -0.121216   77  PHE   A CB   
2784 C CG   . PHE   B 65  ? 0.411326 0.343947 0.471488 0.00298175  -0.0369775  -0.116982   77  PHE   A CG   
2785 C CD1  . PHE   B 65  ? 0.512346 0.462904 0.549481 -0.0082148  -0.045118   -0.136133   77  PHE   A CD1  
2786 C CD2  . PHE   B 65  ? 0.421955 0.357922 0.469391 0.010111    -0.0445887  -0.0940025  77  PHE   A CD2  
2787 C CE1  . PHE   B 65  ? 0.527483 0.498121 0.529056 -0.0124001  -0.0606239  -0.127462   77  PHE   A CE1  
2788 C CE2  . PHE   B 65  ? 0.439201 0.390899 0.455619 0.00661356  -0.0602011  -0.0876686  77  PHE   A CE2  
2789 C CZ   . PHE   B 65  ? 0.496465 0.465007 0.489448 -0.00453072 -0.0683498  -0.101349   77  PHE   A CZ   
2790 H H    . PHE   B 65  ? 0.470684 0.34118  0.642589 0.00466908  0.00642152  -0.120663   77  PHE   A H    
2791 H HA   . PHE   B 65  ? 0.487791 0.409418 0.611284 -0.0184474  -0.0276015  -0.158969   77  PHE   A HA   
2792 H HB2  . PHE   B 65  ? 0.458514 0.359674 0.556623 0.00920481  -0.0107703  -0.129615   77  PHE   A HB2  
2793 H HB3  . PHE   B 65  ? 0.439032 0.339335 0.543451 0.0150579   -0.0139574  -0.103224   77  PHE   A HB3  
2794 H HD1  . PHE   B 65  ? 0.507931 0.456546 0.553133 -0.0134574  -0.0391825  -0.155314   77  PHE   A HD1  
2795 H HD2  . PHE   B 65  ? 0.411992 0.338387 0.472298 0.0171899   -0.0383328  -0.082476   77  PHE   A HD2  
2796 H HE1  . PHE   B 65  ? 0.533244 0.517918 0.516323 -0.0208003  -0.0650323  -0.139334   77  PHE   A HE1  
2797 H HE2  . PHE   B 65  ? 0.435539 0.385333 0.446541 0.0119398   -0.0641015  -0.0732557  77  PHE   A HE2  
2798 H HZ   . PHE   B 65  ? 0.49119  0.469574 0.462465 -0.00742034 -0.0784494  -0.0938604  77  PHE   A HZ   
2799 N N    . VAL   B 66  ? 0.478635 0.433716 0.610744 -0.0224229  -0.054129   -0.134688   78  VAL   A N    
2800 C CA   . VAL   B 66  ? 0.448267 0.422402 0.599276 -0.0231833  -0.0665789  -0.122628   78  VAL   A CA   
2801 C C    . VAL   B 66  ? 0.453948 0.445731 0.57013  -0.0182418  -0.0856572  -0.109119   78  VAL   A C    
2802 O O    . VAL   B 66  ? 0.438827 0.441238 0.522489 -0.0247655  -0.0956198  -0.11777    78  VAL   A O    
2803 C CB   . VAL   B 66  ? 0.498563 0.492171 0.682516 -0.0416599  -0.0752287  -0.144768   78  VAL   A CB   
2804 C CG1  . VAL   B 66  ? 0.491558 0.515777 0.696372 -0.042215   -0.0928842  -0.133731   78  VAL   A CG1  
2805 C CG2  . VAL   B 66  ? 0.546363 0.514561 0.769872 -0.047245   -0.0531721  -0.155145   78  VAL   A CG2  
2806 H H    . VAL   B 66  ? 0.488284 0.452428 0.604389 -0.0295788  -0.0601713  -0.149142   78  VAL   A H    
2807 H HA   . VAL   B 66  ? 0.449593 0.412488 0.615726 -0.0151677  -0.056047   -0.109297   78  VAL   A HA   
2808 H HB   . VAL   B 66  ? 0.513154 0.517064 0.678403 -0.0502746  -0.0839373  -0.160614   78  VAL   A HB   
2809 H HG11 . VAL   B 66  ? 0.476629 0.492918 0.689469 -0.0308892  -0.0853582  -0.116415   78  VAL   A HG11 
2810 H HG12 . VAL   B 66  ? 0.494747 0.53623  0.676621 -0.0426171  -0.109544   -0.131647   78  VAL   A HG12 
2811 H HG13 . VAL   B 66  ? 0.501172 0.536761 0.735734 -0.0535133  -0.094797   -0.146116   78  VAL   A HG13 
2812 H HG21 . VAL   B 66  ? 0.54408  0.525287 0.794244 -0.0597023  -0.0581408  -0.167244   78  VAL   A HG21 
2813 H HG22 . VAL   B 66  ? 0.545939 0.499008 0.759242 -0.0484564  -0.0456637  -0.167033   78  VAL   A HG22 
2814 H HG23 . VAL   B 66  ? 0.522594 0.477236 0.755833 -0.0374109  -0.0413869  -0.13749    78  VAL   A HG23 
2815 N N    . PHE   B 67  ? 0.41478  0.409026 0.539056 -0.00689254 -0.0893997  -0.0877133  79  PHE   A N    
2816 C CA   . PHE   B 67  ? 0.427758 0.434257 0.525962 -0.00209336 -0.108161   -0.0731732  79  PHE   A CA   
2817 C C    . PHE   B 67  ? 0.397501 0.410112 0.524845 0.00912175  -0.111799   -0.0570559  79  PHE   A C    
2818 O O    . PHE   B 67  ? 0.382049 0.389352 0.542464 0.0132264   -0.0964083  -0.0567483  79  PHE   A O    
2819 C CB   . PHE   B 67  ? 0.448134 0.436527 0.505618 0.00510299  -0.103181   -0.0625398  79  PHE   A CB   
2820 C CG   . PHE   B 67  ? 0.438791 0.404246 0.49946  0.0193099   -0.0866443  -0.0492948  79  PHE   A CG   
2821 C CD1  . PHE   B 67  ? 0.491994 0.441947 0.563774 0.0224557   -0.066563   -0.053312   79  PHE   A CD1  
2822 C CD2  . PHE   B 67  ? 0.427277 0.386933 0.481569 0.0295081   -0.0912518  -0.0329517  79  PHE   A CD2  
2823 C CE1  . PHE   B 67  ? 0.446416 0.381133 0.515191 0.0342318   -0.0532049  -0.040805   79  PHE   A CE1  
2824 C CE2  . PHE   B 67  ? 0.433902 0.375751 0.48638  0.040223    -0.0762268  -0.0255941  79  PHE   A CE2  
2825 C CZ   . PHE   B 67  ? 0.394994 0.327542 0.453109 0.0422518   -0.0581219  -0.0290401  79  PHE   A CZ   
2826 H H    . PHE   B 67  ? 0.415579 0.402993 0.5621   -0.00215465 -0.0794042  -0.0821828  79  PHE   A H    
2827 H HA   . PHE   B 67  ? 0.438789 0.463986 0.529472 -0.0113883  -0.122569   -0.0806113  79  PHE   A HA   
2828 H HB2  . PHE   B 67  ? 0.450526 0.447103 0.491612 0.00485959  -0.116622   -0.0540788  79  PHE   A HB2  
2829 H HB3  . PHE   B 67  ? 0.449248 0.435044 0.492799 -0.0005116  -0.0980679  -0.0734516  79  PHE   A HB3  
2830 H HD1  . PHE   B 67  ? 0.472923 0.422637 0.552626 0.0163508   -0.0622358  -0.0645913  79  PHE   A HD1  
2831 H HD2  . PHE   B 67  ? 0.440327 0.407709 0.488979 0.0286863   -0.104926   -0.0272514  79  PHE   A HD2  
2832 H HE1  . PHE   B 67  ? 0.441018 0.366762 0.515682 0.0366767   -0.0406991  -0.0406076  79  PHE   A HE1  
2833 H HE2  . PHE   B 67  ? 0.423636 0.360212 0.472181 0.0463139   -0.0787494  -0.0178557  79  PHE   A HE2  
2834 H HZ   . PHE   B 67  ? 0.410565 0.334489 0.464767 0.0491266   -0.0489701  -0.0233066  79  PHE   A HZ   
2835 N N    . SER   B 68  ? 0.41577  0.443307 0.534655 0.0125991   -0.132547   -0.0447748  80  SER   A N    
2836 C CA   . SER   B 68  ? 0.39802  0.43332  0.547976 0.0257565   -0.138051   -0.0302357  80  SER   A CA   
2837 C C    . SER   B 68  ? 0.376478 0.382902 0.50505  0.0400974   -0.128883   -0.0155661  80  SER   A C    
2838 O O    . SER   B 68  ? 0.40296  0.398829 0.495579 0.0393055   -0.136966   -0.00737687 80  SER   A O    
2839 C CB   . SER   B 68  ? 0.386904 0.452876 0.546299 0.02496     -0.166586   -0.0216929  80  SER   A CB   
2840 O OG   . SER   B 68  ? 0.443457 0.53986  0.618394 0.00894674  -0.177355   -0.0383918  80  SER   A OG   
2841 H H    . SER   B 68  ? 0.421564 0.454788 0.515338 0.007168    -0.143216   -0.0447742  80  SER   A H    
2842 H HA   . SER   B 68  ? 0.384056 0.42293  0.564659 0.026583    -0.127566   -0.0352493  80  SER   A HA   
2843 H HB2  . SER   B 68  ? 0.415233 0.476373 0.54379  0.0246235   -0.176151   -0.0131586  80  SER   A HB2  
2844 H HB3  . SER   B 68  ? 0.400945 0.471379 0.587219 0.0358513   -0.168024   -0.0127862  80  SER   A HB3  
2846 N N    . LEU   B 69  ? 0.380606 0.376183 0.53195  0.0516512   -0.111464   -0.0132603  81  LEU   A N    
2847 C CA   . LEU   B 69  ? 0.380987 0.349428 0.510719 0.0623689   -0.100026   -0.00597588 81  LEU   A CA   
2848 C C    . LEU   B 69  ? 0.364862 0.327236 0.493613 0.072515    -0.114709   0.00761683  81  LEU   A C    
2849 O O    . LEU   B 69  ? 0.435913 0.415487 0.598529 0.0802888   -0.127531   0.0143773   81  LEU   A O    
2850 C CB   . LEU   B 69  ? 0.421658 0.386298 0.575755 0.0705074   -0.0767591  -0.00944855 81  LEU   A CB   
2851 C CG   . LEU   B 69  ? 0.437339 0.377262 0.566763 0.079832    -0.0625099  -0.00684606 81  LEU   A CG   
2852 C CD1  . LEU   B 69  ? 0.426282 0.351925 0.517671 0.0728866   -0.0547646  -0.00906749 81  LEU   A CD1  
2853 C CD2  . LEU   B 69  ? 0.506883 0.451207 0.664241 0.0900776   -0.0420735  -0.00933115 81  LEU   A CD2  
2854 H H    . LEU   B 69  ? 0.373607 0.380595 0.554535 0.0518276   -0.106195   -0.0173134  81  LEU   A H    
2855 H HA   . LEU   B 69  ? 0.382187 0.339333 0.483257 0.0571251   -0.0966248  -0.00804102 81  LEU   A HA   
2856 H HB2  . LEU   B 69  ? 0.406792 0.373835 0.563946 0.0637424   -0.0680703  -0.0151865  81  LEU   A HB2  
2857 H HB3  . LEU   B 69  ? 0.414117 0.392384 0.599057 0.0758267   -0.0789856  -0.00818443 81  LEU   A HB3  
2858 H HG   . LEU   B 69  ? 0.452633 0.384887 0.574409 0.0840712   -0.0720997  -0.00208934 81  LEU   A HG   
2859 H HD11 . LEU   B 69  ? 0.429723 0.354445 0.504358 0.0669162   -0.0660335  -0.00830527 81  LEU   A HD11 
2860 H HD12 . LEU   B 69  ? 0.431309 0.345428 0.508364 0.0778642   -0.0472254  -0.0082436  81  LEU   A HD12 
2861 H HD13 . LEU   B 69  ? 0.422903 0.353135 0.522394 0.0693731   -0.0459116  -0.0120523  81  LEU   A HD13 
2862 H HD21 . LEU   B 69  ? 0.484517 0.441833 0.671349 0.0948012   -0.046977   -0.00856906 81  LEU   A HD21 
2863 H HD22 . LEU   B 69  ? 0.478189 0.427012 0.640025 0.0855132   -0.0308535  -0.011354   81  LEU   A HD22 
2864 H HD23 . LEU   B 69  ? 0.489816 0.420589 0.631229 0.0960016   -0.0350732  -0.009758   81  LEU   A HD23 
2865 N N    . GLY   B 70  ? 0.411896 0.350387 0.503881 0.0718131   -0.114171   0.0127682   82  GLY   A N    
2866 C CA   . GLY   B 70  ? 0.510476 0.429874 0.599711 0.08128     -0.121492   0.0250987   82  GLY   A CA   
2867 C C    . GLY   B 70  ? 0.570995 0.500045 0.656005 0.0783261   -0.147105   0.041474    82  GLY   A C    
2868 O O    . GLY   B 70  ? 0.634543 0.551485 0.734581 0.0899209   -0.155861   0.0553177   82  GLY   A O    
2869 H H    . GLY   B 70  ? 0.412249 0.345614 0.481944 0.0647838   -0.108692   0.00824003  82  GLY   A H    
2870 H HA2  . GLY   B 70  ? 0.498247 0.399277 0.563296 0.0789025   -0.114828   0.024155    82  GLY   A HA2  
2871 H HA3  . GLY   B 70  ? 0.49629  0.414419 0.611635 0.0922406   -0.115525   0.0239525   82  GLY   A HA3  
2872 N N    . LYS   B 71  ? 0.488307 0.439865 0.55522  0.0637265   -0.157984   0.03914     83  LYS   A N    
2873 C CA   . LYS   B 71  ? 0.525196 0.493614 0.577678 0.0570939   -0.182729   0.0542275   83  LYS   A CA   
2874 C C    . LYS   B 71  ? 0.598155 0.554159 0.599051 0.0431077   -0.182439   0.0589164   83  LYS   A C    
2875 O O    . LYS   B 71  ? 0.594453 0.561784 0.571697 0.0350558   -0.199909   0.0738251   83  LYS   A O    
2876 C CB   . LYS   B 71  ? 0.46788  0.477106 0.54112  0.0504551   -0.19604    0.0456807   83  LYS   A CB   
2877 H H    . LYS   B 71  ? 0.494353 0.451068 0.556413 0.0573767   -0.148803   0.0270353   83  LYS   A H    
2878 H HA   . LYS   B 71  ? 0.536484 0.498076 0.603111 0.0671653   -0.191279   0.0686049   83  LYS   A HA   
2881 N N    . GLY   B 72  ? 0.597203 0.52985  0.580394 0.0409694   -0.163305   0.0504456   84  GLY   A N    
2882 C CA   . GLY   B 72  ? 0.6319   0.559363 0.572638 0.026812    -0.160644   0.0524558   84  GLY   A CA   
2883 C C    . GLY   B 72  ? 0.68742  0.643472 0.606087 0.0119604   -0.162382   0.0395902   84  GLY   A C    
2884 O O    . GLY   B 72  ? 0.580441 0.540026 0.463983 -0.00036118 -0.163248   0.0444292   84  GLY   A O    
2885 H H    . GLY   B 72  ? 0.586115 0.508474 0.584288 0.0481666   -0.151524   0.0433283   84  GLY   A H    
2886 H HA2  . GLY   B 72  ? 0.626166 0.538867 0.562992 0.0278462   -0.147198   0.0457881   84  GLY   A HA2  
2887 H HA3  . GLY   B 72  ? 0.657969 0.577459 0.588248 0.0255341   -0.170134   0.0689545   84  GLY   A HA3  
2888 N N    . GLN   B 73  ? 0.592429 0.566941 0.533196 0.0122546   -0.159943   0.0214135   85  GLN   A N    
2889 C CA   . GLN   B 73  ? 0.568289 0.56508  0.49523  -0.00098394 -0.157869   0.00174082  85  GLN   A CA   
2890 C C    . GLN   B 73  ? 0.517019 0.501234 0.430643 -0.00315519 -0.136171   -0.0119488  85  GLN   A C    
2891 O O    . GLN   B 73  ? 0.461996 0.459506 0.359076 -0.0132426  -0.130493   -0.0281896  85  GLN   A O    
2892 C CB   . GLN   B 73  ? 0.579158 0.591651 0.541547 -0.00056195 -0.158291   -0.0152713  85  GLN   A CB   
2893 C CG   . GLN   B 73  ? 0.557404 0.596408 0.536757 -0.00141776 -0.182165   -0.00737363 85  GLN   A CG   
2894 C CD   . GLN   B 73  ? 0.542874 0.598342 0.565474 -0.00214682 -0.181496   -0.0238829  85  GLN   A CD   
2895 O OE1  . GLN   B 73  ? 0.4947   0.541566 0.533786 -0.00474394 -0.163138   -0.0428213  85  GLN   A OE1  
2896 N NE2  . GLN   B 73  ? 0.641519 0.724469 0.685145 -0.00120111 -0.203608   -0.0154082  85  GLN   A NE2  
2897 H H    . GLN   B 73  ? 0.593605 0.56557  0.561117 0.0207861   -0.158327   0.020298    85  GLN   A H    
2898 H HA   . GLN   B 73  ? 0.589911 0.60068  0.494278 -0.00944611 -0.169161   0.00724985  85  GLN   A HA   
2899 H HB2  . GLN   B 73  ? 0.548799 0.547834 0.533182 0.00810885  -0.147481   -0.0163906  85  GLN   A HB2  
2900 H HB3  . GLN   B 73  ? 0.565753 0.585598 0.520668 -0.00883219 -0.152475   -0.0315882  85  GLN   A HB3  
2901 H HG2  . GLN   B 73  ? 0.584089 0.639996 0.539152 -0.0113454  -0.193248   -0.00747087 85  GLN   A HG2  
2902 H HG3  . GLN   B 73  ? 0.567577 0.598544 0.554339 0.00796166  -0.188398   0.0101009   85  GLN   A HG3  
2903 H HE21 . GLN   B 73  ? 0.604635 0.700473 0.677717 -0.0020614  -0.20455    -0.0237951  85  GLN   A HE21 
2904 H HE22 . GLN   B 73  ? 0.62661  0.716169 0.656381 0.00026621  -0.217795   -0.00040742 85  GLN   A HE22 
2905 N N    . VAL   B 74  ? 0.425132 0.386111 0.3489   0.00739652  -0.124085   -0.00674261 86  VAL   A N    
2906 C CA   . VAL   B 74  ? 0.429306 0.380678 0.343724 0.00818054  -0.106422   -0.0145037  86  VAL   A CA   
2907 C C    . VAL   B 74  ? 0.412624 0.34689  0.312255 0.00989104  -0.106023   6.814e-05   86  VAL   A C    
2908 O O    . VAL   B 74  ? 0.440874 0.365076 0.343515 0.0127572   -0.116788   0.0143249   86  VAL   A O    
2909 C CB   . VAL   B 74  ? 0.426909 0.370379 0.370292 0.0181575   -0.0926331  -0.0235567  86  VAL   A CB   
2910 C CG1  . VAL   B 74  ? 0.46401  0.419765 0.423513 0.0131297   -0.0898354  -0.0406706  86  VAL   A CG1  
2911 C CG2  . VAL   B 74  ? 0.444059 0.375572 0.408868 0.0292762   -0.0936576  -0.0135255  86  VAL   A CG2  
2912 H H    . VAL   B 74  ? 0.445986 0.398537 0.383898 0.0148608   -0.127256   0.00164869  86  VAL   A H    
2913 H HA   . VAL   B 74  ? 0.430908 0.393204 0.331474 0.00068894  -0.104201   -0.0226457  86  VAL   A HA   
2914 H HB   . VAL   B 74  ? 0.427691 0.365387 0.364592 0.0203982   -0.0829205  -0.0249663  86  VAL   A HB   
2915 H HG11 . VAL   B 74  ? 0.459795 0.425749 0.425307 0.00930331  -0.100763   -0.0408847  86  VAL   A HG11 
2916 H HG12 . VAL   B 74  ? 0.458034 0.419543 0.403977 0.00755865  -0.0865558  -0.0490467  86  VAL   A HG12 
2917 H HG13 . VAL   B 74  ? 0.44348  0.391763 0.42198  0.0188745   -0.0800993  -0.0434082  86  VAL   A HG13 
2918 H HG21 . VAL   B 74  ? 0.42713  0.353644 0.404704 0.0348422   -0.0826297  -0.0170942  86  VAL   A HG21 
2919 H HG22 . VAL   B 74  ? 0.441307 0.36326  0.395014 0.0310121   -0.095832   -0.00528781 86  VAL   A HG22 
2920 H HG23 . VAL   B 74  ? 0.441156 0.380722 0.419084 0.0289066   -0.102618   -0.0122159  86  VAL   A HG23 
2921 N N    . ILE   B 75  ? 0.390265 0.321418 0.278552 0.00849541  -0.0941914  -0.00395603 87  ILE   A N    
2922 C CA   . ILE   B 75  ? 0.397812 0.31412  0.27518  0.00728345  -0.093089   0.00546648  87  ILE   A CA   
2923 C C    . ILE   B 75  ? 0.363259 0.2593   0.259141 0.019488    -0.0916077  0.00828882  87  ILE   A C    
2924 O O    . ILE   B 75  ? 0.408841 0.30641  0.325908 0.0295067   -0.0862023  0.00214221  87  ILE   A O    
2925 C CB   . ILE   B 75  ? 0.409481 0.335316 0.277045 0.00352357  -0.0815624  -0.00196984 87  ILE   A CB   
2926 C CG1  . ILE   B 75  ? 0.436572 0.36631  0.322347 0.015408    -0.0699574  -0.0126637  87  ILE   A CG1  
2927 C CG2  . ILE   B 75  ? 0.429256 0.376245 0.278059 -0.00947774 -0.0810672  -0.00477858 87  ILE   A CG2  
2928 C CD1  . ILE   B 75  ? 0.420072 0.361124 0.302645 0.0165077   -0.0606642  -0.0165941  87  ILE   A CD1  
2929 H H    . ILE   B 75  ? 0.388855 0.328398 0.278127 0.00792401  -0.0869332  -0.0136235  87  ILE   A H    
2930 H HA   . ILE   B 75  ? 0.410911 0.325876 0.27608  0.00021081  -0.100988   0.0147804   87  ILE   A HA   
2931 H HB   . ILE   B 75  ? 0.419317 0.335987 0.282371 0.0019236   -0.0814469  0.00253349  87  ILE   A HB   
2932 H HG12 . ILE   B 75  ? 0.420821 0.357663 0.312927 0.0156312   -0.0689613  -0.0188024  87  ILE   A HG12 
2933 H HG13 . ILE   B 75  ? 0.419009 0.337782 0.314653 0.0225872   -0.0694458  -0.0104048  87  ILE   A HG13 
2934 H HG21 . ILE   B 75  ? 0.422494 0.377178 0.26873  -0.0113633  -0.074056   -0.0083771  87  ILE   A HG21 
2935 H HG22 . ILE   B 75  ? 0.424513 0.381007 0.27735  -0.00836264 -0.0799944  -0.0129835  87  ILE   A HG22 
2936 H HG23 . ILE   B 75  ? 0.442096 0.386647 0.278143 -0.0173178  -0.0883531  0.00499508  87  ILE   A HG23 
2937 H HD11 . ILE   B 75  ? 0.426112 0.362509 0.301789 0.0140399   -0.0624501  -0.0124071  87  ILE   A HD11 
2938 H HD12 . ILE   B 75  ? 0.414443 0.355461 0.308895 0.0253764   -0.0546256  -0.0192697  87  ILE   A HD12 
2939 H HD13 . ILE   B 75  ? 0.425337 0.379697 0.302181 0.0106811   -0.0590025  -0.0205234  87  ILE   A HD13 
2940 N N    . LYS   B 76  ? 0.417753 0.295112 0.306892 0.0173167   -0.0951434  0.0166805   88  LYS   A N    
2941 C CA   . LYS   B 76  ? 0.441845 0.2975   0.346628 0.027801    -0.0935617  0.0171453   88  LYS   A CA   
2942 C C    . LYS   B 76  ? 0.418893 0.278793 0.329754 0.0360194   -0.0795784  0.00453066  88  LYS   A C    
2943 O O    . LYS   B 76  ? 0.441444 0.296981 0.371132 0.0474934   -0.0743806  0.0012056   88  LYS   A O    
2944 C CB   . LYS   B 76  ? 0.504725 0.335811 0.400529 0.0213065   -0.0974561  0.0244594   88  LYS   A CB   
2945 H H    . LYS   B 76  ? 0.42192  0.299642 0.296588 0.00814597  -0.0976353  0.0213789   88  LYS   A H    
2946 H HA   . LYS   B 76  ? 0.44532  0.300801 0.364863 0.0339731   -0.0988276  0.0209803   88  LYS   A HA   
2949 N N    . ALA   B 77  ? 0.449732 0.322005 0.346284 0.0308548   -0.0731218  -0.00090176 89  ALA   A N    
2950 C CA   . ALA   B 77  ? 0.414798 0.293625 0.313653 0.0390638   -0.0616071  -0.00797443 89  ALA   A CA   
2951 C C    . ALA   B 77  ? 0.398552 0.283711 0.316884 0.049077    -0.0548136  -0.00853584 89  ALA   A C    
2952 O O    . ALA   B 77  ? 0.411807 0.295647 0.336809 0.0576557   -0.0452606  -0.0102007  89  ALA   A O    
2953 C CB   . ALA   B 77  ? 0.391679 0.287974 0.277934 0.0340105   -0.0586581  -0.0101424  89  ALA   A CB   
2954 H H    . ALA   B 77  ? 0.435433 0.313966 0.321115 0.0225098   -0.0758962  0.00096616  89  ALA   A H    
2955 H HA   . ALA   B 77  ? 0.424534 0.292894 0.321744 0.0413532   -0.0596185  -0.0107463  89  ALA   A HA   
2956 H HB1  . ALA   B 77  ? 0.405447 0.299683 0.281469 0.026593    -0.0617886  -0.0107364  89  ALA   A HB1  
2957 H HB2  . ALA   B 77  ? 0.390844 0.296326 0.278908 0.0315664   -0.0595913  -0.00941895 89  ALA   A HB2  
2958 H HB3  . ALA   B 77  ? 0.392471 0.2944   0.280275 0.0404788   -0.052483   -0.0116995  89  ALA   A HB3  
2959 N N    . TRP   B 78  ? 0.402419 0.295635 0.330493 0.0461868   -0.0592577  -0.00784849 90  TRP   A N    
2960 C CA   . TRP   B 78  ? 0.412    0.309971 0.363226 0.0518955   -0.0536256  -0.00985598 90  TRP   A CA   
2961 C C    . TRP   B 78  ? 0.392641 0.285338 0.364691 0.0578915   -0.0555644  -0.00786022 90  TRP   A C    
2962 O O    . TRP   B 78  ? 0.408497 0.30361  0.399828 0.0646455   -0.0443479  -0.00884467 90  TRP   A O    
2963 C CB   . TRP   B 78  ? 0.374767 0.284166 0.331162 0.0449301   -0.0573445  -0.0152472  90  TRP   A CB   
2964 C CG   . TRP   B 78  ? 0.400527 0.315535 0.354612 0.0455231   -0.0476126  -0.0200667  90  TRP   A CG   
2965 C CD1  . TRP   B 78  ? 0.425832 0.345587 0.364989 0.046342    -0.0437333  -0.0190302  90  TRP   A CD1  
2966 C CD2  . TRP   B 78  ? 0.385032 0.301592 0.360088 0.0462844   -0.0403662  -0.0271208  90  TRP   A CD2  
2967 N NE1  . TRP   B 78  ? 0.395531 0.319619 0.34665  0.0506784   -0.0345465  -0.0230918  90  TRP   A NE1  
2968 C CE2  . TRP   B 78  ? 0.358928 0.277574 0.332026 0.0502435   -0.0314376  -0.0287724  90  TRP   A CE2  
2969 C CE3  . TRP   B 78  ? 0.378531 0.295068 0.377685 0.0436878   -0.0407346  -0.0323839  90  TRP   A CE3  
2970 C CZ2  . TRP   B 78  ? 0.399464 0.314117 0.394148 0.0525969   -0.0218647  -0.0356251  90  TRP   A CZ2  
2971 C CZ3  . TRP   B 78  ? 0.421418 0.335092 0.440437 0.0426578   -0.0314077  -0.0410444  90  TRP   A CZ3  
2972 C CH2  . TRP   B 78  ? 0.446503 0.356126 0.463469 0.0475865   -0.0213421  -0.0428569  90  TRP   A CH2  
2973 H H    . TRP   B 78  ? 0.407046 0.303617 0.32664  0.039242    -0.0655317  -0.00688941 90  TRP   A H    
2974 H HA   . TRP   B 78  ? 0.394341 0.293211 0.346801 0.0566135   -0.0441892  -0.00993621 90  TRP   A HA   
2975 H HB2  . TRP   B 78  ? 0.394877 0.307045 0.339948 0.0384899   -0.0663396  -0.0143651  90  TRP   A HB2  
2976 H HB3  . TRP   B 78  ? 0.387801 0.29911  0.362171 0.0461341   -0.0574763  -0.0169654  90  TRP   A HB3  
2977 H HD1  . TRP   B 78  ? 0.413968 0.334001 0.339481 0.0443789   -0.046797   -0.0160775  90  TRP   A HD1  
2978 H HE1  . TRP   B 78  ? 0.39176  0.321572 0.339482 0.0530185   -0.0314641  -0.0226571  90  TRP   A HE1  
2979 H HE3  . TRP   B 78  ? 0.389542 0.308267 0.393661 0.042241    -0.0475325  -0.0306576  90  TRP   A HE3  
2980 H HZ2  . TRP   B 78  ? 0.402302 0.317788 0.398859 0.0572657   -0.016018   -0.0357673  90  TRP   A HZ2  
2981 H HZ3  . TRP   B 78  ? 0.418629 0.333087 0.455652 0.0386304   -0.0318959  -0.0463035  90  TRP   A HZ3  
2982 H HH2  . TRP   B 78  ? 0.436235 0.339976 0.470103 0.0478442   -0.0142026  -0.0485886  90  TRP   A HH2  
2983 N N    . ASP   B 79  ? 0.402372 0.289883 0.373875 0.055784    -0.0688135  -0.00331024 91  ASP   A N    
2984 C CA   . ASP   B 79  ? 0.410387 0.294177 0.407132 0.064591    -0.0714468  -0.00058498 91  ASP   A CA   
2985 C C    . ASP   B 79  ? 0.448436 0.321358 0.448391 0.0742086   -0.0568019  -0.005306   91  ASP   A C    
2986 O O    . ASP   B 79  ? 0.425386 0.304571 0.450961 0.0826564   -0.0476557  -0.0078425  91  ASP   A O    
2987 C CB   . ASP   B 79  ? 0.446829 0.324913 0.443399 0.0630005   -0.0889564  0.00924919  91  ASP   A CB   
2988 C CG   . ASP   B 79  ? 0.440426 0.338836 0.442226 0.0560513   -0.104237   0.0134079   91  ASP   A CG   
2989 O OD1  . ASP   B 79  ? 0.428009 0.343203 0.447269 0.0549637   -0.100222   0.00523316  91  ASP   A OD1  
2990 O OD2  . ASP   B 79  ? 0.451962 0.348606 0.4438   0.0523799   -0.120738   0.0260959   91  ASP   A OD2  
2991 H H    . ASP   B 79  ? 0.408398 0.295469 0.365208 0.0493035   -0.0759064  -0.00080262 91  ASP   A H    
2992 H HA   . ASP   B 79  ? 0.413062 0.308339 0.428421 0.0655371   -0.0705961  -0.00231304 91  ASP   A HA   
2993 H HB2  . ASP   B 79  ? 0.448069 0.316167 0.424067 0.0577528   -0.0911557  0.0119386   91  ASP   A HB2  
2994 H HB3  . ASP   B 79  ? 0.44758  0.319034 0.461425 0.0715266   -0.0887783  0.0109683   91  ASP   A HB3  
2995 N N    . ILE   B 80  ? 0.402554 0.264818 0.376179 0.0711251   -0.0529527  -0.00831244 92  ILE   A N    
2996 C CA   . ILE   B 80  ? 0.44435  0.299163 0.412271 0.0775421   -0.039627   -0.0164997  92  ILE   A CA   
2997 C C    . ILE   B 80  ? 0.381124 0.251268 0.347655 0.0809942   -0.0244062  -0.0175702  92  ILE   A C    
2998 O O    . ILE   B 80  ? 0.46297  0.33647  0.442064 0.0889116   -0.0114411  -0.0210911  92  ILE   A O    
2999 C CB   . ILE   B 80  ? 0.476048 0.317777 0.415935 0.069828    -0.0428022  -0.0212863  92  ILE   A CB   
3000 C CG1  . ILE   B 80  ? 0.579326 0.399398 0.52369  0.06659     -0.0547636  -0.0174972  92  ILE   A CG1  
3001 C CG2  . ILE   B 80  ? 0.534393 0.374519 0.461739 0.0738074   -0.0294198  -0.0339053  92  ILE   A CG2  
3002 C CD1  . ILE   B 80  ? 0.562417 0.369963 0.482857 0.0533521   -0.0596942  -0.0196532  92  ILE   A CD1  
3003 H H    . ILE   B 80  ? 0.421358 0.283039 0.379384 0.0639033   -0.058716   -0.0063284  92  ILE   A H    
3004 H HA   . ILE   B 80  ? 0.438715 0.28771  0.423457 0.084306    -0.0381108  -0.018394   92  ILE   A HA   
3005 H HB   . ILE   B 80  ? 0.486573 0.336838 0.41341  0.0632727   -0.0456503  -0.0185326  92  ILE   A HB   
3006 H HG12 . ILE   B 80  ? 0.561978 0.371481 0.520496 0.0744401   -0.0511414  -0.0216272  92  ILE   A HG12 
3007 H HG13 . ILE   B 80  ? 0.542648 0.367349 0.494514 0.0652275   -0.0631125  -0.00869283 92  ILE   A HG13 
3008 H HG21 . ILE   B 80  ? 0.534101 0.36457  0.448135 0.0679253   -0.0327067  -0.0392876  92  ILE   A HG21 
3009 H HG22 . ILE   B 80  ? 0.528302 0.36409  0.470362 0.0816373   -0.0230754  -0.0380712  92  ILE   A HG22 
3010 H HG23 . ILE   B 80  ? 0.512635 0.367056 0.431013 0.0739944   -0.0238078  -0.0325833  92  ILE   A HG23 
3011 H HD11 . ILE   B 80  ? 0.559599 0.381093 0.467605 0.0464934   -0.0614219  -0.0170352  92  ILE   A HD11 
3012 H HD12 . ILE   B 80  ? 0.58433  0.377089 0.509392 0.0506286   -0.0674313  -0.013147   92  ILE   A HD12 
3013 H HD13 . ILE   B 80  ? 0.582297 0.383797 0.496515 0.0539474   -0.0531394  -0.0302269  92  ILE   A HD13 
3014 N N    . GLY   B 81  ? 0.405163 0.28444  0.358559 0.0755773   -0.0253055  -0.0132766  93  GLY   A N    
3015 C CA   . GLY   B 81  ? 0.399009 0.289445 0.347522 0.0788261   -0.0128183  -0.00904503 93  GLY   A CA   
3016 C C    . GLY   B 81  ? 0.388041 0.284022 0.364095 0.0825381   -0.00295729 -0.00439862 93  GLY   A C    
3017 O O    . GLY   B 81  ? 0.420205 0.321287 0.399133 0.0876265   0.0119085   -0.00092182 93  GLY   A O    
3018 H H    . GLY   B 81  ? 0.392127 0.270767 0.339909 0.0699248   -0.0340287  -0.0118475  93  GLY   A H    
3019 H HA2  . GLY   B 81  ? 0.409294 0.300473 0.34456  0.0813634   -0.00688149 -0.0114876  93  GLY   A HA2  
3020 H HA3  . GLY   B 81  ? 0.393374 0.287855 0.333019 0.0754611   -0.0165467  -0.00644126 93  GLY   A HA3  
3021 N N    . VAL   B 82  ? 0.382007 0.278999 0.378557 0.0779648   -0.011303   -0.00485834 94  VAL   A N    
3022 C CA   . VAL   B 82  ? 0.386169 0.289346 0.414113 0.0777447   -0.00339616 -0.00289515 94  VAL   A CA   
3023 C C    . VAL   B 82  ? 0.361923 0.270601 0.413147 0.0833674   0.0045643   -0.00424998 94  VAL   A C    
3024 O O    . VAL   B 82  ? 0.466285 0.381985 0.537275 0.0842663   0.0195962   -0.00027353 94  VAL   A O    
3025 C CB   . VAL   B 82  ? 0.39878  0.305222 0.441163 0.0693269   -0.0151087  -0.00755411 94  VAL   A CB   
3026 C CG1  . VAL   B 82  ? 0.46999  0.383014 0.548616 0.0661478   -0.00720781 -0.00847783 94  VAL   A CG1  
3027 C CG2  . VAL   B 82  ? 0.41977  0.323016 0.443356 0.0655425   -0.0172657  -0.00860463 94  VAL   A CG2  
3028 H H    . VAL   B 82  ? 0.380817 0.275861 0.371445 0.0737552   -0.0218515  -0.00684847 94  VAL   A H    
3029 H HA   . VAL   B 82  ? 0.386328 0.289562 0.41129  0.0790414   0.00631472  0.00226132  94  VAL   A HA   
3030 H HB   . VAL   B 82  ? 0.410635 0.318606 0.452593 0.0679093   -0.026372   -0.0100263  94  VAL   A HB   
3031 H HG11 . VAL   B 82  ? 0.449277 0.359428 0.53019  0.0688215   0.00598119  -0.00280133 94  VAL   A HG11 
3032 H HG12 . VAL   B 82  ? 0.445329 0.365467 0.540688 0.0672944   -0.00970213 -0.00979493 94  VAL   A HG12 
3033 H HG13 . VAL   B 82  ? 0.444853 0.358869 0.529225 0.0597428   -0.0125063  -0.0135778  94  VAL   A HG13 
3034 H HG21 . VAL   B 82  ? 0.411702 0.31779  0.44417  0.0597707   -0.0226372  -0.0143077  94  VAL   A HG21 
3035 H HG22 . VAL   B 82  ? 0.412438 0.314439 0.415627 0.0654999   -0.0231173  -0.00856749 94  VAL   A HG22 
3036 H HG23 . VAL   B 82  ? 0.415528 0.316301 0.439859 0.0688339   -0.00706039 -0.00379203 94  VAL   A HG23 
3037 N N    . ALA   B 83  ? 0.384291 0.289157 0.434682 0.0878085   -0.0030732  -0.00912606 95  ALA   A N    
3038 C CA   . ALA   B 83  ? 0.397217 0.307221 0.471541 0.0964755   0.00546462  -0.0129413  95  ALA   A CA   
3039 C C    . ALA   B 83  ? 0.443161 0.356876 0.506231 0.101569    0.0281407   -0.0141039  95  ALA   A C    
3040 O O    . ALA   B 83  ? 0.489846 0.414941 0.578931 0.107087    0.0414321   -0.01669    95  ALA   A O    
3041 C CB   . ALA   B 83  ? 0.455076 0.353326 0.52938  0.101962    -0.00701334 -0.0173019  95  ALA   A CB   
3042 H H    . ALA   B 83  ? 0.381625 0.279725 0.417385 0.085543    -0.0136983  -0.010044   95  ALA   A H    
3043 H HA   . ALA   B 83  ? 0.405384 0.326428 0.50802  0.095395    0.00532004  -0.0117369  95  ALA   A HA   
3044 H HB1  . ALA   B 83  ? 0.435237 0.333824 0.515503 0.098543    -0.0214064  -0.0137972  95  ALA   A HB1  
3045 H HB2  . ALA   B 83  ? 0.447276 0.334041 0.495949 0.101203    -0.00691239 -0.0199702  95  ALA   A HB2  
3046 H HB3  . ALA   B 83  ? 0.446657 0.348905 0.541817 0.109471    -0.00045875 -0.0207498  95  ALA   A HB3  
3047 N N    . THR   B 84  ? 0.445339 0.354095 0.470537 0.0991576   0.0318101   -0.0113541  96  THR   A N    
3048 C CA   . THR   B 84  ? 0.505621 0.422007 0.511271 0.102888    0.0512432   -0.0108091  96  THR   A CA   
3049 C C    . THR   B 84  ? 0.471475 0.397974 0.483839 0.100413    0.0652428   0.00469023  96  THR   A C    
3050 O O    . THR   B 84  ? 0.463271 0.400238 0.462342 0.10296     0.0837406   0.0094854   96  THR   A O    
3051 C CB   . THR   B 84  ? 0.447003 0.358176 0.408574 0.101245    0.0458874   -0.0148057  96  THR   A CB   
3052 O OG1  . THR   B 84  ? 0.516842 0.429976 0.467167 0.0969014   0.0394366   -0.00185283 96  THR   A OG1  
3053 C CG2  . THR   B 84  ? 0.50883  0.404304 0.464519 0.100748    0.0327468   -0.0292908  96  THR   A CG2  
3054 H H    . THR   B 84  ? 0.447743 0.350981 0.458668 0.0951156   0.0217874   -0.00963459 96  THR   A H    
3055 H HA   . THR   B 84  ? 0.485853 0.405594 0.503071 0.107744    0.0593838   -0.0181194  96  THR   A HA   
3056 H HB   . THR   B 84  ? 0.500616 0.419438 0.447822 0.1037      0.0581937   -0.016592   96  THR   A HB   
3058 H HG21 . THR   B 84  ? 0.500811 0.395198 0.430295 0.0980646   0.0309594   -0.0336471  96  THR   A HG21 
3059 H HG22 . THR   B 84  ? 0.477426 0.366659 0.442565 0.0976546   0.0203473   -0.0260434  96  THR   A HG22 
3060 H HG23 . THR   B 84  ? 0.49951  0.392809 0.469292 0.105878    0.0389252   -0.0372057  96  THR   A HG23 
3061 N N    . MET   B 85  ? 0.454591 0.37813  0.489802 0.0949791   0.0586946   0.0117097   97  MET   A N    
3062 C CA   . MET   B 85  ? 0.492356 0.417065 0.53408  0.0918773   0.0710017   0.0276945   97  MET   A CA   
3063 C C    . MET   B 85  ? 0.47128  0.406004 0.553295 0.0886043   0.0873903   0.0312905   97  MET   A C    
3064 O O    . MET   B 85  ? 0.447722 0.389665 0.563544 0.0868924   0.0820365   0.0206914   97  MET   A O    
3065 C CB   . MET   B 85  ? 0.428405 0.341697 0.474643 0.0870358   0.0578717   0.0302052   97  MET   A CB   
3066 C CG   . MET   B 85  ? 0.498897 0.40808  0.510031 0.0894607   0.0445307   0.0281602   97  MET   A CG   
3067 S SD   . MET   B 85  ? 0.460602 0.360784 0.478332 0.0854126   0.0326999   0.0275943   97  MET   A SD   
3068 C CE   . MET   B 85  ? 0.480671 0.374344 0.511848 0.0889405   0.0505324   0.0483506   97  MET   A CE   
3069 H H    . MET   B 85  ? 0.449892 0.36983  0.497104 0.092801    0.0466669   0.00656645  97  MET   A H    
3070 H HA   . MET   B 85  ? 0.484907 0.412326 0.501915 0.0948753   0.0783746   0.0348475   97  MET   A HA   
3071 H HB2  . MET   B 85  ? 0.444456 0.357364 0.511114 0.0830088   0.0498317   0.0221452   97  MET   A HB2  
3072 H HB3  . MET   B 85  ? 0.463296 0.373714 0.517788 0.0858043   0.0669264   0.0408529   97  MET   A HB3  
3073 H HG2  . MET   B 85  ? 0.485995 0.398924 0.477143 0.0931996   0.0507721   0.0359705   97  MET   A HG2  
3074 H HG3  . MET   B 85  ? 0.468971 0.378428 0.472876 0.0894805   0.0364438   0.0185475   97  MET   A HG3  
3075 H HE1  . MET   B 85  ? 0.478738 0.365514 0.517065 0.0886689   0.0470674   0.0478882   97  MET   A HE1  
3076 H HE2  . MET   B 85  ? 0.483709 0.375974 0.536192 0.085578    0.0593413   0.0500988   97  MET   A HE2  
3077 H HE3  . MET   B 85  ? 0.49117  0.389994 0.502277 0.0942432   0.0549831   0.0586488   97  MET   A HE3  
3078 N N    . LYS   B 86  ? 0.471013 0.408745 0.551694 0.0871797   0.107316    0.0485521   98  LYS   A N    
3079 C CA   . LYS   B 86  ? 0.498637 0.445324 0.619945 0.0804741   0.125439    0.0554684   98  LYS   A CA   
3080 C C    . LYS   B 86  ? 0.499016 0.430328 0.648449 0.0709735   0.121883    0.0622782   98  LYS   A C    
3081 O O    . LYS   B 86  ? 0.553558 0.467712 0.684655 0.0726002   0.111764    0.0668207   98  LYS   A O    
3082 C CB   . LYS   B 86  ? 0.559613 0.517683 0.660976 0.0825707   0.151128    0.0722292   98  LYS   A CB   
3083 C CG   . LYS   B 86  ? 0.669464 0.644042 0.739986 0.0908255   0.159244    0.0616556   98  LYS   A CG   
3084 C CD   . LYS   B 86  ? 0.789935 0.777826 0.833354 0.0903808   0.18464     0.0815926   98  LYS   A CD   
3085 C CE   . LYS   B 86  ? 0.823596 0.832727 0.841648 0.096288    0.19911     0.0667543   98  LYS   A CE   
3086 N NZ   . LYS   B 86  ? 0.812486 0.813197 0.796771 0.102963    0.178835    0.0470416   98  LYS   A NZ   
3087 H H    . LYS   B 86  ? 0.491476 0.426571 0.545338 0.0899583   0.10946     0.0575369   98  LYS   A H    
3088 H HA   . LYS   B 86  ? 0.49125  0.44818  0.635469 0.0803308   0.123506    0.0437836   98  LYS   A HA   
3089 H HB2  . LYS   B 86  ? 0.583856 0.532776 0.664225 0.0833621   0.151315    0.0864436   98  LYS   A HB2  
3090 H HB3  . LYS   B 86  ? 0.579283 0.543848 0.710035 0.0766096   0.16459     0.0778922   98  LYS   A HB3  
3091 H HG2  . LYS   B 86  ? 0.654327 0.638556 0.749825 0.0916824   0.162087    0.0491612   98  LYS   A HG2  
3092 H HG3  . LYS   B 86  ? 0.655704 0.62359  0.699553 0.095145    0.145564    0.0543577   98  LYS   A HG3  
3093 H HD2  . LYS   B 86  ? 0.780712 0.760885 0.796305 0.0917176   0.17914     0.0942241   98  LYS   A HD2  
3094 H HD3  . LYS   B 86  ? 0.776038 0.767131 0.846579 0.0842772   0.197926    0.0927698   98  LYS   A HD3  
3095 H HE2  . LYS   B 86  ? 0.84661  0.866061 0.8404   0.0952328   0.214137    0.0802836   98  LYS   A HE2  
3096 H HE3  . LYS   B 86  ? 0.814422 0.83329  0.863608 0.0963347   0.207284    0.0560695   98  LYS   A HE3  
3097 H HZ1  . LYS   B 86  ? 0.808416 0.799307 0.775631 0.102371    0.166537    0.0551872   98  LYS   A HZ1  
3098 H HZ2  . LYS   B 86  ? 0.794643 0.78995  0.800894 0.104782    0.169738    0.03281     98  LYS   A HZ2  
3099 H HZ3  . LYS   B 86  ? 0.833345 0.844843 0.7922   0.105526    0.187913    0.0405236   98  LYS   A HZ3  
3100 N N    . LYS   B 87  ? 0.504306 0.442296 0.701011 0.0605255   0.132448    0.0625276   99  LYS   A N    
3101 C CA   . LYS   B 87  ? 0.508078 0.428997 0.736128 0.0488364   0.131874    0.0654166   99  LYS   A CA   
3102 C C    . LYS   B 87  ? 0.529377 0.429138 0.739613 0.0509605   0.146081    0.0910769   99  LYS   A C    
3103 O O    . LYS   B 87  ? 0.523787 0.430642 0.721367 0.053211    0.166157    0.111432    99  LYS   A O    
3104 C CB   . LYS   B 87  ? 0.577614 0.513486 0.862488 0.0346036   0.142447    0.0606955   99  LYS   A CB   
3105 C CG   . LYS   B 87  ? 0.674294 0.59327  0.995456 0.0195528   0.135911    0.0524026   99  LYS   A CG   
3106 C CD   . LYS   B 87  ? 0.646616 0.570926 1.02178  0.00201347  0.155333    0.057807    99  LYS   A CD   
3107 C CE   . LYS   B 87  ? 0.673057 0.590346 1.09403  -0.0168642  0.146069    0.0389493   99  LYS   A CE   
3108 N NZ   . LYS   B 87  ? 0.659103 0.600259 1.13555  -0.0333877  0.161789    0.0395517   99  LYS   A NZ   
3109 H H    . LYS   B 87  ? 0.505375 0.459461 0.717348 0.0601888   0.140753    0.0594186   99  LYS   A H    
3110 H HA   . LYS   B 87  ? 0.50404  0.41806  0.729143 0.0485651   0.114762    0.0533087   99  LYS   A HA   
3111 H HB2  . LYS   B 87  ? 0.564907 0.519378 0.860567 0.0362126   0.134809    0.0480331   99  LYS   A HB2  
3112 H HB3  . LYS   B 87  ? 0.596692 0.536992 0.886439 0.0328435   0.16197     0.0750134   99  LYS   A HB3  
3113 H HG2  . LYS   B 87  ? 0.647527 0.544337 0.951203 0.0224095   0.135647    0.0595815   99  LYS   A HG2  
3114 H HG3  . LYS   B 87  ? 0.622808 0.549211 0.949736 0.0178979   0.118183    0.0348596   99  LYS   A HG3  
3115 H HD2  . LYS   B 87  ? 0.6567   0.606053 1.04555  0.0020963   0.160689    0.0560235   99  LYS   A HD2  
3116 H HD3  . LYS   B 87  ? 0.683534 0.593433 1.05179  0.00222424  0.172022    0.0774062   99  LYS   A HD3  
3117 H HE2  . LYS   B 87  ? 0.677977 0.567952 1.09768  -0.0197917  0.150434    0.0442449   99  LYS   A HE2  
3118 H HE3  . LYS   B 87  ? 0.644385 0.570898 1.06155  -0.015905   0.126272    0.020955    99  LYS   A HE3  
3119 H HZ1  . LYS   B 87  ? 0.682695 0.61928  1.15862  -0.0333912  0.181301    0.0580502   99  LYS   A HZ1  
3120 H HZ2  . LYS   B 87  ? 0.650679 0.618874 1.13458  -0.0304965  0.155178    0.0313236   99  LYS   A HZ2  
3121 H HZ3  . LYS   B 87  ? 0.673691 0.608508 1.17935  -0.0470584  0.15895     0.0294721   99  LYS   A HZ3  
3122 N N    . GLY   B 88  ? 0.484866 0.360117 0.695089 0.0509049   0.136389    0.0910437   100 GLY   A N    
3123 C CA   . GLY   B 88  ? 0.532275 0.384947 0.731597 0.0562008   0.146966    0.117245    100 GLY   A CA   
3124 C C    . GLY   B 88  ? 0.53763  0.393811 0.685174 0.072375    0.137345    0.126816    100 GLY   A C    
3125 O O    . GLY   B 88  ? 0.540167 0.381753 0.678263 0.079853    0.141091    0.148613    100 GLY   A O    
3126 H H    . GLY   B 88  ? 0.485194 0.358386 0.703354 0.0481501   0.122767    0.0743392   100 GLY   A H    
3127 H HA2  . GLY   B 88  ? 0.532434 0.366758 0.753088 0.051987    0.143957    0.112348    100 GLY   A HA2  
3128 H HA3  . GLY   B 88  ? 0.549419 0.403295 0.757116 0.0527689   0.164083    0.134412    100 GLY   A HA3  
3129 N N    . GLU   B 89  ? 0.506569 0.383568 0.623168 0.0775845   0.12592     0.112293    101 GLU   A N    
3130 C CA   . GLU   B 89  ? 0.528482 0.412984 0.597979 0.0894521   0.115667    0.117206    101 GLU   A CA   
3131 C C    . GLU   B 89  ? 0.537586 0.409576 0.60495  0.0940617   0.0982668   0.110035    101 GLU   A C    
3132 O O    . GLU   B 89  ? 0.482296 0.347143 0.570911 0.087908    0.0882694   0.0893036   101 GLU   A O    
3133 C CB   . GLU   B 89  ? 0.507978 0.412561 0.552222 0.0911054   0.108821    0.0990854   101 GLU   A CB   
3134 C CG   . GLU   B 89  ? 0.506281 0.421858 0.501905 0.0995995   0.0988106   0.0998739   101 GLU   A CG   
3135 C CD   . GLU   B 89  ? 0.515957 0.444598 0.493029 0.0995905   0.0947206   0.0788453   101 GLU   A CD   
3136 O OE1  . GLU   B 89  ? 0.511701 0.449178 0.500267 0.0977739   0.108892    0.0738536   101 GLU   A OE1  
3137 O OE2  . GLU   B 89  ? 0.508925 0.437568 0.466034 0.101065    0.0779659   0.0664376   101 GLU   A OE2  
3138 H H    . GLU   B 89  ? 0.5009   0.38787  0.628317 0.0732647   0.124146    0.098533    101 GLU   A H    
3139 H HA   . GLU   B 89  ? 0.549665 0.435816 0.605319 0.0934396   0.125647    0.137895    101 GLU   A HA   
3140 H HB2  . GLU   B 89  ? 0.517088 0.430814 0.566102 0.0889748   0.121681    0.101753    101 GLU   A HB2  
3141 H HB3  . GLU   B 89  ? 0.488467 0.391158 0.546099 0.0877913   0.0983019   0.0819611   101 GLU   A HB3  
3142 H HG2  . GLU   B 89  ? 0.501801 0.411409 0.494899 0.101463    0.0864111   0.096616    101 GLU   A HG2  
3143 H HG3  . GLU   B 89  ? 0.533656 0.454476 0.512938 0.103078    0.107425    0.117588    101 GLU   A HG3  
3144 N N    . ILE   B 90  ? 0.549835 0.424614 0.590099 0.104996    0.0947713   0.12714     102 ILE   A N    
3145 C CA   . ILE   B 90  ? 0.524733 0.397583 0.559042 0.111343    0.0785782   0.119212    102 ILE   A CA   
3146 C C    . ILE   B 90  ? 0.479293 0.375846 0.4706   0.116677    0.0668636   0.117491    102 ILE   A C    
3147 O O    . ILE   B 90  ? 0.537418 0.448317 0.50138  0.121306    0.0722268   0.134999    102 ILE   A O    
3148 C CB   . ILE   B 90  ? 0.549597 0.405415 0.60299  0.12085     0.0834592   0.140362    102 ILE   A CB   
3149 C CG1  . ILE   B 90  ? 0.599859 0.427189 0.698946 0.113151    0.0970524   0.140377    102 ILE   A CG1  
3150 C CG2  . ILE   B 90  ? 0.500056 0.360381 0.550841 0.128933    0.0683845   0.129842    102 ILE   A CG2  
3151 C CD1  . ILE   B 90  ? 0.609877 0.411464 0.737227 0.122539    0.102723    0.155873    102 ILE   A CD1  
3152 H H    . ILE   B 90  ? 0.565954 0.446897 0.591502 0.108566    0.102738    0.144612    102 ILE   A H    
3153 H HA   . ILE   B 90  ? 0.501093 0.369536 0.548575 0.105609    0.072188    0.100168    102 ILE   A HA   
3154 H HB   . ILE   B 90  ? 0.568625 0.430693 0.60688  0.127       0.0884194   0.162318    102 ILE   A HB   
3155 H HG12 . ILE   B 90  ? 0.568591 0.3942   0.679658 0.105048    0.0919187   0.117515    102 ILE   A HG12 
3156 H HG13 . ILE   B 90  ? 0.598692 0.426105 0.700098 0.108641    0.108206    0.151582    102 ILE   A HG13 
3157 H HG21 . ILE   B 90  ? 0.526284 0.373669 0.596151 0.135893    0.0725113   0.140641    102 ILE   A HG21 
3158 H HG22 . ILE   B 90  ? 0.491455 0.350343 0.548941 0.122087    0.0626474   0.107841    102 ILE   A HG22 
3159 H HG23 . ILE   B 90  ? 0.508568 0.387546 0.533013 0.133649    0.060833    0.134188    102 ILE   A HG23 
3160 H HD11 . ILE   B 90  ? 0.63169  0.438536 0.744493 0.133018    0.103665    0.179417    102 ILE   A HD11 
3161 H HD12 . ILE   B 90  ? 0.629197 0.411489 0.784101 0.115907    0.11404     0.159026    102 ILE   A HD12 
3162 H HD13 . ILE   B 90  ? 0.602115 0.401628 0.736156 0.124716    0.0944839   0.139134    102 ILE   A HD13 
3163 N N    . ALA   B 91  ? 0.447763 0.349681 0.432118 0.113308    0.0516729   0.0947478   103 ALA   A N    
3164 C CA   . ALA   B 91  ? 0.445464 0.366938 0.39483  0.113854    0.0392013   0.0865413   103 ALA   A CA   
3165 C C    . ALA   B 91  ? 0.44909  0.376393 0.398648 0.115362    0.0250699   0.078091    103 ALA   A C    
3166 O O    . ALA   B 91  ? 0.461017 0.376913 0.435795 0.114293    0.0239661   0.0702366   103 ALA   A O    
3167 C CB   . ALA   B 91  ? 0.438563 0.361124 0.379387 0.105672    0.0376102   0.0672453   103 ALA   A CB   
3168 H H    . ALA   B 91  ? 0.439309 0.332079 0.442148 0.109185    0.0490504   0.0832886   103 ALA   A H    
3169 H HA   . ALA   B 91  ? 0.465992 0.398156 0.397321 0.118822    0.0420616   0.10049     103 ALA   A HA   
3170 H HB1  . ALA   B 91  ? 0.447569 0.370496 0.388922 0.105744    0.0481384   0.0723278   103 ALA   A HB1  
3171 H HB2  . ALA   B 91  ? 0.422936 0.337047 0.380645 0.101055    0.0338389   0.0562311   103 ALA   A HB2  
3172 H HB3  . ALA   B 91  ? 0.436951 0.369002 0.356227 0.104955    0.0300708   0.0607952   103 ALA   A HB3  
3173 N N    . HIS   B 92  ? 0.417612 0.366507 0.339216 0.117518    0.015331    0.0794519   104 HIS   A N    
3174 C CA   . HIS   B 92  ? 0.434757 0.397077 0.353593 0.11594     0.00195777  0.0691337   104 HIS   A CA   
3175 C C    . HIS   B 92  ? 0.439065 0.404793 0.338055 0.103428    -0.00697466 0.0485609   104 HIS   A C    
3176 O O    . HIS   B 92  ? 0.459279 0.429485 0.335683 0.100689    -0.00624624 0.0460542   104 HIS   A O    
3177 C CB   . HIS   B 92  ? 0.42322  0.411973 0.330708 0.125615    -0.00479616 0.0851683   104 HIS   A CB   
3178 C CG   . HIS   B 92  ? 0.422291 0.405329 0.357038 0.140041    0.0013727   0.105679    104 HIS   A CG   
3179 N ND1  . HIS   B 92  ? 0.415703 0.422085 0.348641 0.152779    -0.0048708  0.125709    104 HIS   A ND1  
3180 C CD2  . HIS   B 92  ? 0.406717 0.363199 0.373795 0.143557    0.0122303   0.107842    104 HIS   A CD2  
3181 C CE1  . HIS   B 92  ? 0.448659 0.439207 0.414075 0.166226    0.00322176  0.142704    104 HIS   A CE1  
3182 N NE2  . HIS   B 92  ? 0.40994  0.367728 0.396663 0.159387    0.0146235   0.129627    104 HIS   A NE2  
3183 H H    . HIS   B 92  ? 0.445818 0.403557 0.349344 0.119044    0.017617    0.0865992   104 HIS   A H    
3184 H HA   . HIS   B 92  ? 0.417194 0.370542 0.356349 0.116085    0.00285643  0.0645171   104 HIS   A HA   
3185 H HB2  . HIS   B 92  ? 0.439777 0.43768  0.326156 0.125794    -0.00436484 0.0914866   104 HIS   A HB2  
3186 H HB3  . HIS   B 92  ? 0.417217 0.419255 0.321219 0.121961    -0.0138813  0.075627    104 HIS   A HB3  
3188 H HD2  . HIS   B 92  ? 0.398838 0.338731 0.37528  0.136435    0.0170158   0.0963771   104 HIS   A HD2  
3189 H HE1  . HIS   B 92  ? 0.452217 0.453133 0.4259   0.178401    0.00072644  0.160368    104 HIS   A HE1  
3191 N N    . LEU   B 93  ? 0.403374 0.36737  0.310151 0.0960678   -0.0143179  0.0347671   105 LEU   A N    
3192 C CA   . LEU   B 93  ? 0.424553 0.388673 0.315501 0.0837496   -0.0231392  0.0194818   105 LEU   A CA   
3193 C C    . LEU   B 93  ? 0.420859 0.404996 0.30947  0.0787542   -0.0323311  0.0152193   105 LEU   A C    
3194 O O    . LEU   B 93  ? 0.400427 0.390338 0.306846 0.0815691   -0.0312434  0.01556     105 LEU   A O    
3195 C CB   . LEU   B 93  ? 0.385158 0.32897  0.286909 0.0763694   -0.0235124  0.00935788  105 LEU   A CB   
3196 C CG   . LEU   B 93  ? 0.385634 0.313175 0.298465 0.0792491   -0.0154998  0.0104165   105 LEU   A CG   
3197 C CD1  . LEU   B 93  ? 0.444651 0.360097 0.368504 0.0720271   -0.0210771  0.00150808  105 LEU   A CD1  
3198 C CD2  . LEU   B 93  ? 0.394457 0.321752 0.290314 0.0810568   -0.0110756  0.00936907  105 LEU   A CD2  
3199 H H    . LEU   B 93  ? 0.408505 0.370441 0.33119  0.0984572   -0.0130509  0.0351558   105 LEU   A H    
3200 H HA   . LEU   B 93  ? 0.422985 0.389166 0.298464 0.0828295   -0.0230967  0.0185507   105 LEU   A HA   
3201 H HB2  . LEU   B 93  ? 0.384465 0.328905 0.297853 0.0758447   -0.0238998  0.00807032  105 LEU   A HB2  
3202 H HB3  . LEU   B 93  ? 0.391868 0.334666 0.283385 0.0688431   -0.0297295  0.00235263  105 LEU   A HB3  
3203 H HG   . LEU   B 93  ? 0.396975 0.32341  0.322534 0.0846786   -0.00870187 0.0175331   105 LEU   A HG   
3204 H HD11 . LEU   B 93  ? 0.417006 0.334148 0.348737 0.0698257   -0.0230866  -0.00010557 105 LEU   A HD11 
3205 H HD12 . LEU   B 93  ? 0.423266 0.332449 0.358156 0.0743495   -0.0164019  0.00217885  105 LEU   A HD12 
3206 H HD13 . LEU   B 93  ? 0.42513  0.338628 0.337916 0.0670625   -0.0273409  -0.00305959 105 LEU   A HD13 
3207 H HD21 . LEU   B 93  ? 0.405238 0.342894 0.291332 0.0854375   -0.0078291  0.0164372   105 LEU   A HD21 
3208 H HD22 . LEU   B 93  ? 0.398741 0.32434  0.283828 0.0756062   -0.0172592  0.00124778  105 LEU   A HD22 
3209 H HD23 . LEU   B 93  ? 0.396965 0.316475 0.303533 0.0829761   -0.00494521 0.00928936  105 LEU   A HD23 
3210 N N    . LEU   B 94  ? 0.384268 0.379665 0.253014 0.0701139   -0.0400759  0.00859206  106 LEU   A N    
3211 C CA   . LEU   B 94  ? 0.394186 0.408726 0.26213  0.0600377   -0.0486068  0.00203945  106 LEU   A CA   
3212 C C    . LEU   B 94  ? 0.422735 0.418916 0.280582 0.0436666   -0.052823   -0.0103451  106 LEU   A C    
3213 O O    . LEU   B 94  ? 0.417634 0.399901 0.261529 0.040045    -0.0533115  -0.0166784  106 LEU   A O    
3214 C CB   . LEU   B 94  ? 0.404315 0.452148 0.263199 0.0616094   -0.0557995  0.00568494  106 LEU   A CB   
3215 C CG   . LEU   B 94  ? 0.422847 0.500115 0.288415 0.0510066   -0.0642731  -0.0002993  106 LEU   A CG   
3216 C CD1  . LEU   B 94  ? 0.410138 0.502931 0.303392 0.0589596   -0.0602107  0.00461682  106 LEU   A CD1  
3217 C CD2  . LEU   B 94  ? 0.490245 0.603399 0.343377 0.048492    -0.0751329  -0.00027495 106 LEU   A CD2  
3218 H H    . LEU   B 94  ? 0.407152 0.398724 0.263459 0.0696139   -0.0391762  0.00703349  106 LEU   A H    
3219 H HA   . LEU   B 94  ? 0.386932 0.405315 0.269309 0.062391    -0.0466899  0.00351358  106 LEU   A HA   
3220 H HB2  . LEU   B 94  ? 0.410933 0.467211 0.276644 0.0739503   -0.053152   0.0171706   106 LEU   A HB2  
3221 H HB3  . LEU   B 94  ? 0.421345 0.466086 0.263348 0.0576891   -0.0574952  0.00123834  106 LEU   A HB3  
3222 H HG   . LEU   B 94  ? 0.427538 0.492486 0.287971 0.0380075   -0.0655316  -0.00960097 106 LEU   A HG   
3223 H HD11 . LEU   B 94  ? 0.402607 0.475529 0.300186 0.0575226   -0.0545822  0.00148187  106 LEU   A HD11 
3224 H HD12 . LEU   B 94  ? 0.408856 0.52339  0.306976 0.0512347   -0.0644778  0.00018194  106 LEU   A HD12 
3225 H HD13 . LEU   B 94  ? 0.411894 0.513375 0.314185 0.0728963   -0.0585839  0.014786    106 LEU   A HD13 
3226 H HD21 . LEU   B 94  ? 0.48639  0.589346 0.321564 0.0410149   -0.0767516  -0.00820682 106 LEU   A HD21 
3227 H HD22 . LEU   B 94  ? 0.478445 0.604462 0.334095 0.0617334   -0.0750964  0.011657    106 LEU   A HD22 
3228 H HD23 . LEU   B 94  ? 0.472144 0.606435 0.333675 0.040764    -0.0803236  -0.00445319 106 LEU   A HD23 
3229 N N    . ILE   B 95  ? 0.385707 0.383825 0.25047  0.0338031   -0.0551449  -0.0134356  107 ILE   A N    
3230 C CA   . ILE   B 95  ? 0.417302 0.391511 0.276814 0.020926    -0.0578461  -0.0179037  107 ILE   A CA   
3231 C C    . ILE   B 95  ? 0.426786 0.413493 0.28241  0.00320365  -0.062824   -0.0212825  107 ILE   A C    
3232 O O    . ILE   B 95  ? 0.418579 0.427653 0.281932 2.555e-05   -0.0610784  -0.0201303  107 ILE   A O    
3233 C CB   . ILE   B 95  ? 0.397403 0.356993 0.265881 0.02431     -0.0549265  -0.0148704  107 ILE   A CB   
3234 C CG1  . ILE   B 95  ? 0.395963 0.344746 0.273952 0.0389562   -0.0489098  -0.0118222  107 ILE   A CG1  
3235 C CG2  . ILE   B 95  ? 0.403761 0.342396 0.265402 0.012171    -0.0606075  -0.014312   107 ILE   A CG2  
3236 C CD1  . ILE   B 95  ? 0.392673 0.33614  0.284791 0.042131    -0.0459572  -0.0116588  107 ILE   A CD1  
3237 H H    . ILE   B 95  ? 0.392697 0.408504 0.265833 0.0354136   -0.0547317  -0.0116754  107 ILE   A H    
3238 H HA   . ILE   B 95  ? 0.419474 0.378707 0.272287 0.0206643   -0.0585091  -0.0206637  107 ILE   A HA   
3239 H HB   . ILE   B 95  ? 0.393506 0.367571 0.267641 0.0240477   -0.0531089  -0.0148817  107 ILE   A HB   
3240 H HG12 . ILE   B 95  ? 0.402192 0.336916 0.276429 0.0392956   -0.0494444  -0.012791   107 ILE   A HG12 
3241 H HG13 . ILE   B 95  ? 0.394834 0.354883 0.274626 0.0461038   -0.0457982  -0.00918625 107 ILE   A HG13 
3242 H HG21 . ILE   B 95  ? 0.401962 0.33266  0.268569 0.0156512   -0.0604717  -0.0122325  107 ILE   A HG21 
3243 H HG22 . ILE   B 95  ? 0.4149   0.33995  0.272299 0.0108882   -0.0623984  -0.0159756  107 ILE   A HG22 
3244 H HG23 . ILE   B 95  ? 0.409115 0.356675 0.266629 0.00209876  -0.0624586  -0.0139758  107 ILE   A HG23 
3245 H HD11 . ILE   B 95  ? 0.387153 0.343249 0.28472  0.043565    -0.0433098  -0.0127532  107 ILE   A HD11 
3246 H HD12 . ILE   B 95  ? 0.389477 0.325122 0.289616 0.0494729   -0.0419325  -0.00971753 107 ILE   A HD12 
3247 H HD13 . ILE   B 95  ? 0.393826 0.330302 0.282452 0.0349762   -0.0505437  -0.0128087  107 ILE   A HD13 
3248 N N    . LYS   B 96  ? 0.456259 0.427533 0.302018 -0.00953968 -0.0674254  -0.0266544  108 LYS   A N    
3249 C CA   . LYS   B 96  ? 0.427803 0.404151 0.271909 -0.0302361  -0.0709968  -0.0282057  108 LYS   A CA   
3250 C C    . LYS   B 96  ? 0.453443 0.411866 0.296336 -0.038152   -0.0703735  -0.0193304  108 LYS   A C    
3251 O O    . LYS   B 96  ? 0.448871 0.385489 0.291499 -0.0290243  -0.0703336  -0.0144128  108 LYS   A O    
3252 C CB   . LYS   B 96  ? 0.496211 0.456534 0.332926 -0.0435109  -0.0754394  -0.0381811  108 LYS   A CB   
3253 C CG   . LYS   B 96  ? 0.504367 0.489119 0.335887 -0.0417543  -0.0786694  -0.04955    108 LYS   A CG   
3254 C CD   . LYS   B 96  ? 0.606667 0.57467  0.430124 -0.0582721  -0.0826164  -0.0656591  108 LYS   A CD   
3255 C CE   . LYS   B 96  ? 0.645398 0.643226 0.457664 -0.0562648  -0.0871909  -0.0785966  108 LYS   A CE   
3256 N NZ   . LYS   B 96  ? 0.745137 0.719433 0.547628 -0.0709847  -0.0888549  -0.0997354  108 LYS   A NZ   
3257 H H    . LYS   B 96  ? 0.45103  0.407581 0.292189 -0.00584344 -0.0673041  -0.029924   108 LYS   A H    
3258 H HA   . LYS   B 96  ? 0.440728 0.445785 0.290338 -0.0319567  -0.0706912  -0.0286262  108 LYS   A HA   
3259 H HB2  . LYS   B 96  ? 0.494558 0.426378 0.328693 -0.0396764  -0.0747548  -0.0385851  108 LYS   A HB2  
3260 H HB3  . LYS   B 96  ? 0.496955 0.457471 0.334977 -0.0588321  -0.0769666  -0.0375145  108 LYS   A HB3  
3261 H HG2  . LYS   B 96  ? 0.510226 0.526046 0.347623 -0.04394    -0.0804665  -0.0478708  108 LYS   A HG2  
3262 H HG3  . LYS   B 96  ? 0.511821 0.495538 0.34012  -0.0271543  -0.0762179  -0.0482311  108 LYS   A HG3  
3263 H HD2  . LYS   B 96  ? 0.604893 0.5406   0.425872 -0.055137   -0.0799192  -0.0676348  108 LYS   A HD2  
3264 H HD3  . LYS   B 96  ? 0.603404 0.573527 0.431938 -0.0744003  -0.0847798  -0.0662941  108 LYS   A HD3  
3265 H HE2  . LYS   B 96  ? 0.646993 0.677728 0.464515 -0.0614376  -0.0918084  -0.0772642  108 LYS   A HE2  
3266 H HE3  . LYS   B 96  ? 0.643622 0.644495 0.450544 -0.0403987  -0.0842525  -0.0744493  108 LYS   A HE3  
3267 H HZ1  . LYS   B 96  ? 0.733463 0.702855 0.542627 -0.0868464  -0.0912283  -0.102871   108 LYS   A HZ1  
3268 H HZ2  . LYS   B 96  ? 0.7276   0.672082 0.528023 -0.0646461  -0.0839034  -0.101325   108 LYS   A HZ2  
3269 H HZ3  . LYS   B 96  ? 0.730332 0.725141 0.523125 -0.0710445  -0.0921732  -0.108664   108 LYS   A HZ3  
3270 N N    . PRO   B 97  ? 0.515812 0.489699 0.358182 -0.0556159  -0.0697908  -0.0160313  109 PRO   A N    
3271 C CA   . PRO   B 97  ? 0.515866 0.48405  0.351842 -0.0636391  -0.0683062  -0.00536855 109 PRO   A CA   
3272 C C    . PRO   B 97  ? 0.545455 0.471424 0.374177 -0.0650751  -0.0740971  0.00471745  109 PRO   A C    
3273 O O    . PRO   B 97  ? 0.506342 0.426757 0.329934 -0.0606185  -0.0758534  0.0134013   109 PRO   A O    
3274 C CB   . PRO   B 97  ? 0.528868 0.521159 0.36505  -0.0853294  -0.0651084  -0.00367126 109 PRO   A CB   
3275 C CG   . PRO   B 97  ? 0.500797 0.517708 0.348707 -0.088685   -0.0662831  -0.0151934  109 PRO   A CG   
3276 C CD   . PRO   B 97  ? 0.531871 0.540145 0.380953 -0.067866   -0.0696074  -0.0220624  109 PRO   A CD   
3277 H HA   . PRO   B 97  ? 0.504839 0.485518 0.342968 -0.0539996  -0.0651172  -0.00609105 109 PRO   A HA   
3278 H HB2  . PRO   B 97  ? 0.543963 0.516588 0.373689 -0.0981946  -0.0671559  0.00398788  109 PRO   A HB2  
3279 H HB3  . PRO   B 97  ? 0.516266 0.530065 0.35242  -0.0852005  -0.0600145  -0.0026481  109 PRO   A HB3  
3280 H HG2  . PRO   B 97  ? 0.533579 0.540128 0.380547 -0.103702   -0.0687747  -0.015711   109 PRO   A HG2  
3281 H HG3  . PRO   B 97  ? 0.505714 0.555451 0.361848 -0.0895138  -0.062247   -0.0173663  109 PRO   A HG3  
3282 H HD2  . PRO   B 97  ? 0.527285 0.52897  0.375024 -0.073113   -0.073447   -0.0281044  109 PRO   A HD2  
3283 H HD3  . PRO   B 97  ? 0.501656 0.53543  0.358328 -0.0576251  -0.0675472  -0.0243503  109 PRO   A HD3  
3284 N N    . GLU   B 98  ? 0.545416 0.442493 0.376326 -0.0681738  -0.07758    0.00154949  110 GLU   A N    
3285 C CA   . GLU   B 98  ? 0.555793 0.410471 0.386961 -0.0672864  -0.0827151  0.0114502   110 GLU   A CA   
3286 C C    . GLU   B 98  ? 0.53325  0.380565 0.369897 -0.045605   -0.0845424  0.0131772   110 GLU   A C    
3287 O O    . GLU   B 98  ? 0.538866 0.363535 0.377826 -0.042656   -0.0905034  0.0260887   110 GLU   A O    
3288 C CB   . GLU   B 98  ? 0.60653  0.431268 0.443532 -0.0725462  -0.083257   0.00077483  110 GLU   A CB   
3289 C CG   . GLU   B 98  ? 0.7026   0.532732 0.538528 -0.0978419  -0.0823147  -0.00253437 110 GLU   A CG   
3290 C CD   . GLU   B 98  ? 0.730618 0.608532 0.566639 -0.106515   -0.0796513  -0.0143     110 GLU   A CD   
3291 O OE1  . GLU   B 98  ? 0.549666 0.451433 0.386136 -0.0914355  -0.07911    -0.0261023  110 GLU   A OE1  
3292 O OE2  . GLU   B 98  ? 0.755121 0.646367 0.593072 -0.129143   -0.0781892  -0.0101897  110 GLU   A OE2  
3293 H H    . GLU   B 98  ? 0.546624 0.451029 0.380163 -0.070219   -0.0768419  -0.00778851 110 GLU   A H    
3294 H HA   . GLU   B 98  ? 0.576481 0.427633 0.402098 -0.0779646  -0.0844046  0.0239233   110 GLU   A HA   
3295 H HB2  . GLU   B 98  ? 0.603913 0.43531  0.442744 -0.0626665  -0.0812312  -0.0115595  110 GLU   A HB2  
3296 H HB3  . GLU   B 98  ? 0.633192 0.428348 0.474399 -0.0692192  -0.0859207  0.00743032  110 GLU   A HB3  
3297 H HG2  . GLU   B 98  ? 0.714277 0.519145 0.554587 -0.101651   -0.0829705  -0.010174   110 GLU   A HG2  
3298 H HG3  . GLU   B 98  ? 0.707286 0.531205 0.540426 -0.108106   -0.0830312  0.0118616   110 GLU   A HG3  
3299 N N    . TYR   B 99  ? 0.491769 0.358957 0.332966 -0.0310626  -0.0799409  0.00243828  111 TYR   A N    
3300 C CA   . TYR   B 99  ? 0.456536 0.319333 0.307234 -0.0130085  -0.0797633  0.00279667  111 TYR   A CA   
3301 C C    . TYR   B 99  ? 0.430479 0.31892  0.281036 -0.00968704 -0.0784101  0.0046905   111 TYR   A C    
3302 O O    . TYR   B 99  ? 0.44913  0.339623 0.310274 0.00268541  -0.0770973  0.00262792  111 TYR   A O    
3303 C CB   . TYR   B 99  ? 0.487906 0.349483 0.344581 -0.00038631 -0.0735463  -0.0092986  111 TYR   A CB   
3304 C CG   . TYR   B 99  ? 0.501137 0.33398  0.359313 -0.00159135 -0.073565   -0.0161952  111 TYR   A CG   
3305 C CD1  . TYR   B 99  ? 0.527992 0.357505 0.377519 -0.0156632  -0.0738548  -0.024971   111 TYR   A CD1  
3306 C CD2  . TYR   B 99  ? 0.500373 0.308835 0.372456 0.010077    -0.0735109  -0.0151045  111 TYR   A CD2  
3307 C CE1  . TYR   B 99  ? 0.530803 0.331385 0.382889 -0.0174695  -0.0724596  -0.0362467  111 TYR   A CE1  
3308 C CE2  . TYR   B 99  ? 0.532376 0.312499 0.409654 0.010863    -0.0713306  -0.0243874  111 TYR   A CE2  
3309 C CZ   . TYR   B 99  ? 0.556795 0.330196 0.422848 -0.00344427 -0.0703875  -0.0362797  111 TYR   A CZ   
3310 O OH   . TYR   B 99  ? 0.621304 0.362524 0.493449 -0.00459556 -0.0673478  -0.0496843  111 TYR   A OH   
3311 H H    . TYR   B 99  ? 0.482395 0.367154 0.322348 -0.0328502  -0.0767834  -0.00448133 111 TYR   A H    
3312 H HA   . TYR   B 99  ? 0.479832 0.32319  0.334347 -0.0117399  -0.0844481  0.00974967  111 TYR   A HA   
3313 H HB2  . TYR   B 99  ? 0.46719  0.347263 0.319442 -0.00199685 -0.0705897  -0.0140579  111 TYR   A HB2  
3314 H HB3  . TYR   B 99  ? 0.464652 0.327479 0.329344 0.0102625   -0.0717209  -0.00846361 111 TYR   A HB3  
3315 H HD1  . TYR   B 99  ? 0.51324  0.363002 0.35676  -0.0234712  -0.0742073  -0.025831   111 TYR   A HD1  
3316 H HD2  . TYR   B 99  ? 0.493139 0.306187 0.37362  0.018232    -0.0743186  -0.00951766 111 TYR   A HD2  
3317 H HE1  . TYR   B 99  ? 0.555109 0.354117 0.401919 -0.0288383  -0.0728972  -0.0445206  111 TYR   A HE1  
3318 H HE2  . TYR   B 99  ? 0.539295 0.305077 0.429741 0.0207818   -0.0702677  -0.0241489  111 TYR   A HE2  
3320 N N    . ALA   B 100 ? 0.455467 0.363337 0.295624 -0.0224106  -0.0775388  0.00696639  112 ALA   A N    
3321 C CA   . ALA   B 100 ? 0.449226 0.382828 0.288728 -0.0207878  -0.0734452  0.00294224  112 ALA   A CA   
3322 C C    . ALA   B 100 ? 0.471098 0.411422 0.293532 -0.0364421  -0.0772026  0.0123237   112 ALA   A C    
3323 O O    . ALA   B 100 ? 0.499031 0.424102 0.316297 -0.0371775  -0.0864451  0.0233773   112 ALA   A O    
3324 C CB   . ALA   B 100 ? 0.460265 0.419468 0.306696 -0.0172077  -0.0644969  -0.00701684 112 ALA   A CB   
3325 H H    . ALA   B 100 ? 0.464163 0.36951  0.298342 -0.0331829  -0.0784481  0.00995671  112 ALA   A H    
3326 H HA   . ALA   B 100 ? 0.445689 0.374885 0.292454 -0.0115862  -0.0743979  0.00131203  112 ALA   A HA   
3327 H HB1  . ALA   B 100 ? 0.441857 0.397343 0.297032 -0.00627323 -0.0626576  -0.0101691  112 ALA   A HB1  
3328 H HB2  . ALA   B 100 ? 0.45766  0.422923 0.300577 -0.0256546  -0.0642754  -0.00636324 112 ALA   A HB2  
3329 H HB3  . ALA   B 100 ? 0.448145 0.42268  0.295156 -0.0173304  -0.0606684  -0.0107923  112 ALA   A HB3  
3330 N N    . TYR   B 101 ? 0.435964 0.401722 0.249978 -0.0487554  -0.0703396  0.00988114  113 TYR   A N    
3331 C CA   . TYR   B 101 ? 0.52136  0.49785  0.314626 -0.0649253  -0.0714339  0.0197211   113 TYR   A CA   
3332 C C    . TYR   B 101 ? 0.515429 0.487545 0.299835 -0.084319   -0.0707802  0.0325034   113 TYR   A C    
3333 O O    . TYR   B 101 ? 0.504402 0.48925  0.270228 -0.100675   -0.068663   0.0431477   113 TYR   A O    
3334 C CB   . TYR   B 101 ? 0.531123 0.543348 0.3214   -0.0656359  -0.0607058  0.00534027  113 TYR   A CB   
3335 C CG   . TYR   B 101 ? 0.517732 0.529574 0.316838 -0.0506959  -0.0615302  -0.00730224 113 TYR   A CG   
3336 C CD1  . TYR   B 101 ? 0.467969 0.476061 0.254158 -0.0528346  -0.0709065  -0.00350285 113 TYR   A CD1  
3337 C CD2  . TYR   B 101 ? 0.435485 0.447668 0.258799 -0.0343257  -0.054936   -0.0203975  113 TYR   A CD2  
3338 C CE1  . TYR   B 101 ? 0.446404 0.456368 0.24404  -0.0427078  -0.0715018  -0.0177897  113 TYR   A CE1  
3339 C CE2  . TYR   B 101 ? 0.423971 0.431633 0.259084 -0.0231229  -0.054416   -0.0308491  113 TYR   A CE2  
3340 C CZ   . TYR   B 101 ? 0.421271 0.429282 0.24482  -0.0284727  -0.0617371  -0.0324369  113 TYR   A CZ   
3341 O OH   . TYR   B 101 ? 0.418546 0.421311 0.257978 -0.0198606  -0.0621724  -0.0437325  113 TYR   A OH   
3342 H H    . TYR   B 101 ? 0.448202 0.426906 0.269553 -0.0470915  -0.0647399  0.00277063  113 TYR   A H    
3343 H HA   . TYR   B 101 ? 0.515909 0.479984 0.303358 -0.0630658  -0.0793108  0.0274141   113 TYR   A HA   
3344 H HB2  . TYR   B 101 ? 0.515724 0.541734 0.316701 -0.0643361  -0.05333    -0.00209363 113 TYR   A HB2  
3345 H HB3  . TYR   B 101 ? 0.545544 0.568706 0.318681 -0.0779705  -0.0598486  0.0111878   113 TYR   A HB3  
3346 H HD1  . TYR   B 101 ? 0.498439 0.507412 0.266877 -0.0632741  -0.0762488  0.00826902  113 TYR   A HD1  
3347 H HD2  . TYR   B 101 ? 0.438202 0.455403 0.270232 -0.0318809  -0.0507019  -0.0215232  113 TYR   A HD2  
3348 H HE1  . TYR   B 101 ? 0.461568 0.473692 0.250708 -0.0457476  -0.0790497  -0.0164581  113 TYR   A HE1  
3349 H HE2  . TYR   B 101 ? 0.408855 0.415674 0.26052  -0.0126912  -0.0488969  -0.0373649  113 TYR   A HE2  
3351 N N    . GLY   B 102 ? 0.507509 0.462123 0.304484 -0.0848701  -0.0718248  0.0310432   114 GLY   A N    
3352 C CA   . GLY   B 102 ? 0.524502 0.463161 0.31672  -0.104816   -0.0731123  0.043683    114 GLY   A CA   
3353 C C    . GLY   B 102 ? 0.544346 0.515545 0.332272 -0.126279   -0.0632301  0.0446634   114 GLY   A C    
3354 O O    . GLY   B 102 ? 0.552834 0.563607 0.34674  -0.12404    -0.0541464  0.031533    114 GLY   A O    
3355 H H    . GLY   B 102 ? 0.489305 0.441925 0.297466 -0.0737946  -0.0714174  0.0217435   114 GLY   A H    
3356 H HA2  . GLY   B 102 ? 0.527727 0.450308 0.330149 -0.102222   -0.0750041  0.0383432   114 GLY   A HA2  
3357 H HA3  . GLY   B 102 ? 0.54971  0.469076 0.33307  -0.107582   -0.0789243  0.0580126   114 GLY   A HA3  
3358 N N    . SER   B 103 ? 0.612611 0.566412 0.393153 -0.147804   -0.0639267  0.0619287   115 SER   A N    
3359 C CA   . SER   B 103 ? 0.667277 0.652501 0.446424 -0.171848   -0.0529301  0.0648303   115 SER   A CA   
3360 C C    . SER   B 103 ? 0.660767 0.679435 0.41872  -0.176906   -0.0448237  0.07112     115 SER   A C    
3361 O O    . SER   B 103 ? 0.639924 0.700525 0.400819 -0.188871   -0.0316256  0.0644315   115 SER   A O    
3362 C CB   . SER   B 103 ? 0.732096 0.689423 0.512536 -0.197481   -0.0533613  0.0816733   115 SER   A CB   
3363 O OG   . SER   B 103 ? 0.819883 0.731245 0.587304 -0.197467   -0.0624644  0.105597    115 SER   A OG   
3364 H H    . SER   B 103 ? 0.629246 0.551439 0.407787 -0.147706   -0.0705647  0.0725622   115 SER   A H    
3365 H HA   . SER   B 103 ? 0.638011 0.646562 0.431809 -0.168841   -0.0488361  0.0493166   115 SER   A HA   
3366 H HB2  . SER   B 103 ? 0.749862 0.731758 0.526803 -0.214286   -0.0447958  0.0866047   115 SER   A HB2  
3367 H HB3  . SER   B 103 ? 0.732288 0.680521 0.528442 -0.198251   -0.0552776  0.0706952   115 SER   A HB3  
3369 N N    . ALA   B 104 ? 0.703878 0.707112 0.440678 -0.168712   -0.0527412  0.0832629   116 ALA   A N    
3370 C CA   . ALA   B 104 ? 0.687625 0.723805 0.397749 -0.176676   -0.045783   0.0880427   116 ALA   A CA   
3371 C C    . ALA   B 104 ? 0.593939 0.667667 0.312114 -0.160908   -0.0367552  0.0590361   116 ALA   A C    
3372 O O    . ALA   B 104 ? 0.565333 0.678643 0.269154 -0.168886   -0.0237229  0.0514452   116 ALA   A O    
3373 C CB   . ALA   B 104 ? 0.736617 0.747882 0.421437 -0.174378   -0.0603789  0.111327    116 ALA   A CB   
3374 H H    . ALA   B 104 ? 0.68751  0.662435 0.426721 -0.158617   -0.0624243  0.0876228   116 ALA   A H    
3375 H HA   . ALA   B 104 ? 0.704012 0.75553  0.408453 -0.195139   -0.036941   0.0957004   116 ALA   A HA   
3376 H HB1  . ALA   B 104 ? 0.755622 0.741394 0.438516 -0.183644   -0.0651198  0.131249    116 ALA   A HB1  
3377 H HB2  . ALA   B 104 ? 0.712275 0.71014  0.405863 -0.157289   -0.0687878  0.103861    116 ALA   A HB2  
3378 H HB3  . ALA   B 104 ? 0.745583 0.781305 0.408582 -0.180868   -0.0565459  0.113831    116 ALA   A HB3  
3379 N N    . GLY   B 105 ? 0.589203 0.648086 0.329234 -0.13819    -0.0429665  0.043571    117 GLY   A N    
3380 C CA   . GLY   B 105 ? 0.607886 0.69064  0.359124 -0.1207     -0.0361116  0.0192499   117 GLY   A CA   
3381 C C    . GLY   B 105 ? 0.574319 0.661236 0.303629 -0.117169   -0.0395943  0.0163538   117 GLY   A C    
3382 O O    . GLY   B 105 ? 0.583999 0.650415 0.2936   -0.121519   -0.0528264  0.0347311   117 GLY   A O    
3383 H H    . GLY   B 105 ? 0.588347 0.620492 0.336966 -0.13364    -0.0508446  0.048474    117 GLY   A H    
3384 H HA2  . GLY   B 105 ? 0.564546 0.633486 0.333378 -0.106785   -0.0402365  0.0127153   117 GLY   A HA2  
3385 H HA3  . GLY   B 105 ? 0.581127 0.692625 0.339072 -0.125049   -0.0245895  0.0101097   117 GLY   A HA3  
3386 N N    . SER   B 106 ? 0.518449 0.634924 0.252243 -0.110451   -0.0275517  -0.00720007 118 SER   A N    
3387 C CA   . SER   B 106 ? 0.532184 0.656429 0.247411 -0.108256   -0.0299141  -0.0179432  118 SER   A CA   
3388 C C    . SER   B 106 ? 0.531944 0.695992 0.248599 -0.110065   -0.00952197 -0.043267   118 SER   A C    
3389 O O    . SER   B 106 ? 0.528565 0.696413 0.264752 -0.0950405  -0.0029886  -0.0681004  118 SER   A O    
3390 C CB   . SER   B 106 ? 0.484495 0.584542 0.217273 -0.0893738  -0.0403873  -0.0272238  118 SER   A CB   
3391 O OG   . SER   B 106 ? 0.556933 0.668982 0.268229 -0.0934786  -0.0448483  -0.0370052  118 SER   A OG   
3392 H H    . SER   B 106 ? 0.517319 0.649922 0.267774 -0.107076   -0.017806   -0.0179348  118 SER   A H    
3393 H HA   . SER   B 106 ? 0.551571 0.675141 0.241256 -0.120099   -0.0365631  -0.00284699 118 SER   A HA   
3394 H HB2  . SER   B 106 ? 0.496808 0.572961 0.233279 -0.0865256  -0.0513448  -0.0125588  118 SER   A HB2  
3395 H HB3  . SER   B 106 ? 0.481822 0.583548 0.237459 -0.0779754  -0.0329451  -0.0413604  118 SER   A HB3  
3397 N N    . LEU   B 107 ? 0.546549 0.738701 0.243277 -0.129426   0.0014232   -0.0357689  119 LEU   A N    
3398 C CA   . LEU   B 107 ? 0.561121 0.796412 0.264052 -0.131731   0.0246614   -0.0597344  119 LEU   A CA   
3399 C C    . LEU   B 107 ? 0.595052 0.848047 0.273773 -0.132732   0.0302694   -0.0829926  119 LEU   A C    
3400 O O    . LEU   B 107 ? 0.622128 0.871704 0.261996 -0.14484    0.0183216   -0.0709194  119 LEU   A O    
3401 C CB   . LEU   B 107 ? 0.578892 0.841307 0.270929 -0.153915   0.0362242   -0.0440052  119 LEU   A CB   
3402 C CG   . LEU   B 107 ? 0.596677 0.853479 0.326583 -0.150584   0.0357846   -0.0358321  119 LEU   A CG   
3403 C CD1  . LEU   B 107 ? 0.686717 0.947634 0.401826 -0.176961   0.0368993   -0.00942615 119 LEU   A CD1  
3404 C CD2  . LEU   B 107 ? 0.535423 0.826692 0.306681 -0.134721   0.0531228   -0.0630621  119 LEU   A CD2  
3405 H H    . LEU   B 107 ? 0.566547 0.751086 0.247151 -0.141412   -0.0046434  -0.0151805  119 LEU   A H    
3406 H HA   . LEU   B 107 ? 0.536282 0.770867 0.271039 -0.117068   0.0292345   -0.0720559  119 LEU   A HA   
3407 H HB2  . LEU   B 107 ? 0.612764 0.865256 0.276788 -0.167563   0.0279783   -0.0233997  119 LEU   A HB2  
3408 H HB3  . LEU   B 107 ? 0.601961 0.89752  0.290859 -0.157898   0.0526341   -0.0597907  119 LEU   A HB3  
3409 H HG   . LEU   B 107 ? 0.572741 0.797912 0.312065 -0.13988    0.0218685   -0.0301674  119 LEU   A HG   
3410 H HD11 . LEU   B 107 ? 0.678119 0.910998 0.37314  -0.182506   0.0241183   0.00896353  119 LEU   A HD11 
3411 H HD12 . LEU   B 107 ? 0.649118 0.910276 0.389302 -0.176524   0.0368322   -0.00782701 119 LEU   A HD12 
3412 H HD13 . LEU   B 107 ? 0.686841 0.978816 0.388393 -0.189579   0.0508064   -0.0120491  119 LEU   A HD13 
3413 H HD21 . LEU   B 107 ? 0.530561 0.808898 0.314197 -0.117001   0.0499897   -0.0758245  119 LEU   A HD21 
3414 H HD22 . LEU   B 107 ? 0.563297 0.886545 0.327633 -0.142223   0.068487    -0.0732484  119 LEU   A HD22 
3415 H HD23 . LEU   B 107 ? 0.531654 0.826484 0.324829 -0.134942   0.051936    -0.0570283  119 LEU   A HD23 
3416 N N    . PRO   B 108 ? 0.601413 0.879753 0.300498 -0.122741   0.0501658   -0.11683    120 PRO   A N    
3417 C CA   . PRO   B 108 ? 0.556907 0.850237 0.301964 -0.109328   0.0655237   -0.127592   120 PRO   A CA   
3418 C C    . PRO   B 108 ? 0.508442 0.770383 0.296987 -0.0830951  0.0574636   -0.132273   120 PRO   A C    
3419 O O    . PRO   B 108 ? 0.538528 0.81304  0.365416 -0.0702982  0.0660192   -0.136184   120 PRO   A O    
3420 C CB   . PRO   B 108 ? 0.57664  0.910505 0.325432 -0.108001   0.0916361   -0.163026   120 PRO   A CB   
3421 C CG   . PRO   B 108 ? 0.6071   0.945008 0.308366 -0.121639   0.0890785   -0.173812   120 PRO   A CG   
3422 C CD   . PRO   B 108 ? 0.594869 0.895047 0.272492 -0.126077   0.0606042   -0.147016   120 PRO   A CD   
3423 H HA   . PRO   B 108 ? 0.556552 0.85943  0.301998 -0.118976   0.0665801   -0.111012   120 PRO   A HA   
3424 H HB2  . PRO   B 108 ? 0.561059 0.889152 0.342629 -0.0897299  0.0970556   -0.180607   120 PRO   A HB2  
3425 H HB3  . PRO   B 108 ? 0.583504 0.947348 0.333956 -0.116743   0.104535    -0.160984   120 PRO   A HB3  
3426 H HG2  . PRO   B 108 ? 0.611948 0.95055  0.324179 -0.111893   0.0965563   -0.201068   120 PRO   A HG2  
3427 H HG3  . PRO   B 108 ? 0.63352  1.00063  0.308636 -0.13781    0.0991699   -0.172149   120 PRO   A HG3  
3428 H HD2  . PRO   B 108 ? 0.59785  0.878593 0.286262 -0.115023   0.0537324   -0.159526   120 PRO   A HD2  
3429 H HD3  . PRO   B 108 ? 0.634096 0.945444 0.273225 -0.14235    0.0565625   -0.137634   120 PRO   A HD3  
3430 N N    . LYS   B 109 ? 0.518009 0.744091 0.302621 -0.0748957  0.0421093   -0.132129   121 LYS   A N    
3431 C CA   . LYS   B 109 ? 0.546327 0.745342 0.370514 -0.0510638  0.0385936   -0.137931   121 LYS   A CA   
3432 C C    . LYS   B 109 ? 0.527208 0.711737 0.369569 -0.0447864  0.0280602   -0.112971   121 LYS   A C    
3433 O O    . LYS   B 109 ? 0.477627 0.659306 0.355889 -0.0260117  0.0313534   -0.115804   121 LYS   A O    
3434 C CB   . LYS   B 109 ? 0.616595 0.783282 0.433445 -0.0473557  0.0250642   -0.141651   121 LYS   A CB   
3435 C CG   . LYS   B 109 ? 0.588788 0.726456 0.446441 -0.0244964  0.0241373   -0.146217   121 LYS   A CG   
3436 C CD   . LYS   B 109 ? 0.747139 0.857278 0.603582 -0.0231758  0.0135349   -0.152417   121 LYS   A CD   
3437 C CE   . LYS   B 109 ? 0.786168 0.907241 0.631454 -0.0314126  0.020488    -0.183982   121 LYS   A CE   
3438 N NZ   . LYS   B 109 ? 0.868108 0.989578 0.748641 -0.0172315  0.0406887   -0.211909   121 LYS   A NZ   
3439 H H    . LYS   B 109 ? 0.541143 0.761121 0.298754 -0.0845788  0.0337035   -0.127107   121 LYS   A H    
3440 H HA   . LYS   B 109 ? 0.547284 0.759675 0.393829 -0.0411536  0.0523955   -0.156232   121 LYS   A HA   
3441 H HB2  . LYS   B 109 ? 0.621527 0.799113 0.424924 -0.0532981  0.0303278   -0.159247   121 LYS   A HB2  
3442 H HB3  . LYS   B 109 ? 0.598067 0.752768 0.396544 -0.0551006  0.0114218   -0.123165   121 LYS   A HB3  
3443 H HG2  . LYS   B 109 ? 0.601146 0.729725 0.467714 -0.0194438  0.0179869   -0.128782   121 LYS   A HG2  
3444 H HG3  . LYS   B 109 ? 0.623988 0.771534 0.503097 -0.0152724  0.0375201   -0.16207    121 LYS   A HG3  
3445 H HD2  . LYS   B 109 ? 0.70353  0.805706 0.542088 -0.0305026  0.00012566  -0.135937   121 LYS   A HD2  
3446 H HD3  . LYS   B 109 ? 0.69091  0.782729 0.573684 -0.00966769 0.0142682   -0.15118    121 LYS   A HD3  
3447 H HE2  . LYS   B 109 ? 0.815668 0.958963 0.633083 -0.0445251  0.0217633   -0.185969   121 LYS   A HE2  
3448 H HE3  . LYS   B 109 ? 0.798468 0.904873 0.641223 -0.0337121  0.010171    -0.184265   121 LYS   A HE3  
3449 H HZ1  . LYS   B 109 ? 0.841205 0.980591 0.725707 -0.0148743  0.0505613   -0.213086   121 LYS   A HZ1  
3450 H HZ2  . LYS   B 109 ? 0.828415 0.928835 0.734562 -0.00501918 0.0397244   -0.206952   121 LYS   A HZ2  
3451 H HZ3  . LYS   B 109 ? 0.863885 0.989184 0.738184 -0.0229097  0.0447304   -0.233241   121 LYS   A HZ3  
3452 N N    . ILE   B 110 ? 0.478029 0.650988 0.295789 -0.0597961  0.0144503   -0.0885667  122 ILE   A N    
3453 C CA   . ILE   B 110 ? 0.469316 0.625519 0.302375 -0.0551188  0.00425255  -0.0702617  122 ILE   A CA   
3454 C C    . ILE   B 110 ? 0.496768 0.67193  0.31785  -0.0758432  0.00595463  -0.0560444  122 ILE   A C    
3455 O O    . ILE   B 110 ? 0.487415 0.655554 0.277208 -0.0943538  0.00076929  -0.0418699  122 ILE   A O    
3456 C CB   . ILE   B 110 ? 0.428128 0.542609 0.251928 -0.0515316  -0.0137471  -0.0560218  122 ILE   A CB   
3457 C CG1  . ILE   B 110 ? 0.476211 0.571136 0.308749 -0.0371866  -0.0166062  -0.0671842  122 ILE   A CG1  
3458 C CG2  . ILE   B 110 ? 0.429877 0.52882  0.266489 -0.0477906  -0.0220269  -0.041944   122 ILE   A CG2  
3459 C CD1  . ILE   B 110 ? 0.45366  0.546374 0.320889 -0.0164176  -0.0088328  -0.0780581  122 ILE   A CD1  
3460 H H    . ILE   B 110 ? 0.510098 0.685133 0.301804 -0.0727963  0.0115042   -0.0836171  122 ILE   A H    
3461 H HA   . ILE   B 110 ? 0.450149 0.611686 0.308616 -0.0416309  0.00864252  -0.0767147  122 ILE   A HA   
3462 H HB   . ILE   B 110 ? 0.463798 0.574833 0.26474  -0.0643967  -0.0189237  -0.0468798  122 ILE   A HB   
3463 H HG12 . ILE   B 110 ? 0.476527 0.581386 0.297205 -0.0427315  -0.0130655  -0.0772629  122 ILE   A HG12 
3464 H HG13 . ILE   B 110 ? 0.458782 0.532133 0.285749 -0.0369269  -0.0274942  -0.0567178  122 ILE   A HG13 
3465 H HG21 . ILE   B 110 ? 0.418497 0.493322 0.255779 -0.0407938  -0.0300134  -0.0376062  122 ILE   A HG21 
3466 H HG22 . ILE   B 110 ? 0.413196 0.525816 0.269315 -0.0391944  -0.0165898  -0.0477122  122 ILE   A HG22 
3467 H HG23 . ILE   B 110 ? 0.43502  0.53567  0.260136 -0.0614078  -0.0244828  -0.0320578  122 ILE   A HG23 
3468 H HD11 . ILE   B 110 ? 0.44202  0.527217 0.317969 -0.0110775  -0.0132257  -0.0678071  122 ILE   A HD11 
3469 H HD12 . ILE   B 110 ? 0.454207 0.532385 0.326735 -0.0101554  -0.010111   -0.0844126  122 ILE   A HD12 
3470 H HD13 . ILE   B 110 ? 0.45832  0.572256 0.335251 -0.0145022  0.00210059  -0.0887569  122 ILE   A HD13 
3471 N N    . PRO   B 111 ? 0.482471 0.679005 0.329084 -0.0744394  0.0105047   -0.0555305  123 PRO   A N    
3472 C CA   . PRO   B 111 ? 0.492546 0.707549 0.33328  -0.0972001  0.0125726   -0.0432497  123 PRO   A CA   
3473 C C    . PRO   B 111 ? 0.472552 0.649059 0.299617 -0.10756    -0.00389183 -0.0232073  123 PRO   A C    
3474 O O    . PRO   B 111 ? 0.469746 0.609909 0.295906 -0.0947626  -0.0164821  -0.0197248  123 PRO   A O    
3475 C CB   . PRO   B 111 ? 0.516788 0.771008 0.396588 -0.0896806  0.0204583   -0.0524355  123 PRO   A CB   
3476 C CG   . PRO   B 111 ? 0.518924 0.762789 0.423269 -0.0604484  0.016933    -0.061852   123 PRO   A CG   
3477 C CD   . PRO   B 111 ? 0.546642 0.755409 0.431252 -0.0518776  0.0141687   -0.0661912  123 PRO   A CD   
3478 H HA   . PRO   B 111 ? 0.514408 0.744584 0.338044 -0.109857   0.0207373   -0.0434984  123 PRO   A HA   
3479 H HB2  . PRO   B 111 ? 0.510951 0.76537  0.395223 -0.099222   0.014352    -0.0436334  123 PRO   A HB2  
3480 H HB3  . PRO   B 111 ? 0.521298 0.807713 0.40633  -0.0946042  0.0338798   -0.0604991  123 PRO   A HB3  
3481 H HG2  . PRO   B 111 ? 0.507349 0.739849 0.418704 -0.0564975  0.00671698  -0.054676   123 PRO   A HG2  
3482 H HG3  . PRO   B 111 ? 0.51433  0.786417 0.441612 -0.0511839  0.0267739   -0.072235   123 PRO   A HG3  
3483 H HD2  . PRO   B 111 ? 0.506327 0.690298 0.394808 -0.0413347  0.00482594  -0.0615856  123 PRO   A HD2  
3484 H HD3  . PRO   B 111 ? 0.520344 0.741292 0.414591 -0.0429147  0.0242502   -0.0801683  123 PRO   A HD3  
3485 N N    . SER   B 112 ? 0.486239 0.672613 0.305399 -0.131962   -0.00121086 -0.0110254  124 SER   A N    
3486 C CA   . SER   B 112 ? 0.513663 0.66691  0.327719 -0.145458   -0.0131581  0.00541034  124 SER   A CA   
3487 C C    . SER   B 112 ? 0.470229 0.616482 0.309749 -0.131073   -0.0218764  -0.00333128 124 SER   A C    
3488 O O    . SER   B 112 ? 0.428337 0.612707 0.293031 -0.1242     -0.0161971  -0.015228   124 SER   A O    
3489 C CB   . SER   B 112 ? 0.585475 0.761409 0.398659 -0.174498   -0.00420114 0.0151492   124 SER   A CB   
3490 O OG   . SER   B 112 ? 0.758581 0.892078 0.561612 -0.190229   -0.0146055  0.033436    124 SER   A OG   
3491 H H    . SER   B 112 ? 0.502885 0.717963 0.321141 -0.141291   0.00989228  -0.0138658  124 SER   A H    
3492 H HA   . SER   B 112 ? 0.525053 0.647966 0.321193 -0.145041   -0.0206802  0.0151743   124 SER   A HA   
3493 H HB2  . SER   B 112 ? 0.617227 0.809985 0.415644 -0.182103   0.00484046  0.0178614   124 SER   A HB2  
3494 H HB3  . SER   B 112 ? 0.590599 0.794113 0.426336 -0.175191   0.00014946  0.00613319  124 SER   A HB3  
3496 N N    . ASN   B 113 ? 0.461464 0.563227 0.293793 -0.128541   -0.0348184  0.00376416  125 ASN   A N    
3497 C CA   . ASN   B 113 ? 0.465205 0.558886 0.313246 -0.123772   -0.0431046  -0.00289698 125 ASN   A CA   
3498 C C    . ASN   B 113 ? 0.456782 0.571368 0.321688 -0.0975191  -0.0427925  -0.0153351  125 ASN   A C    
3499 O O    . ASN   B 113 ? 0.421849 0.557271 0.303427 -0.0942862  -0.0466051  -0.0220165  125 ASN   A O    
3500 C CB   . ASN   B 113 ? 0.494577 0.608504 0.3541   -0.148705   -0.0414572  -0.00297661 125 ASN   A CB   
3501 C CG   . ASN   B 113 ? 0.513079 0.594496 0.358208 -0.174686   -0.0421115  0.0126051   125 ASN   A CG   
3502 O OD1  . ASN   B 113 ? 0.558203 0.660961 0.40757  -0.19938    -0.0343155  0.0184042   125 ASN   A OD1  
3503 N ND2  . ASN   B 113 ? 0.543582 0.573318 0.377392 -0.169956   -0.0512684  0.0192161   125 ASN   A ND2  
3504 H H    . ASN   B 113 ? 0.479151 0.55615  0.296108 -0.129554   -0.0386152  0.0124176   125 ASN   A H    
3505 H HA   . ASN   B 113 ? 0.476101 0.534917 0.315633 -0.121735   -0.0501571  0.00161912  125 ASN   A HA   
3506 H HB2  . ASN   B 113 ? 0.481819 0.632801 0.351432 -0.151898   -0.0334774  -0.00645059 125 ASN   A HB2  
3507 H HB3  . ASN   B 113 ? 0.480971 0.59544  0.350294 -0.145456   -0.0475852  -0.0102841  125 ASN   A HB3  
3508 H HD21 . ASN   B 113 ? 0.562271 0.569292 0.386956 -0.180801   -0.0518098  0.0314899   125 ASN   A HD21 
3509 H HD22 . ASN   B 113 ? 0.525764 0.543649 0.362185 -0.155756   -0.056524   0.0120201   125 ASN   A HD22 
3510 N N    . ALA   B 114 ? 0.41023  0.514308 0.269989 -0.0792621  -0.0403033  -0.0168728  126 ALA   A N    
3511 C CA   . ALA   B 114 ? 0.445654 0.562981 0.322851 -0.0550219  -0.0379179  -0.0253847  126 ALA   A CA   
3512 C C    . ALA   B 114 ? 0.39183  0.479372 0.2674   -0.0410913  -0.0471664  -0.0234155  126 ALA   A C    
3513 O O    . ALA   B 114 ? 0.39664  0.448479 0.25804  -0.0416581  -0.0519993  -0.0186657  126 ALA   A O    
3514 C CB   . ALA   B 114 ? 0.456019 0.577824 0.333107 -0.0452037  -0.0288609  -0.0314832  126 ALA   A CB   
3515 H H    . ALA   B 114 ? 0.439796 0.527451 0.285532 -0.0829492  -0.040516   -0.0117259  126 ALA   A H    
3516 H HA   . ALA   B 114 ? 0.421403 0.568163 0.314248 -0.0546649  -0.0355913  -0.0290923  126 ALA   A HA   
3517 H HB1  . ALA   B 114 ? 0.45893  0.603823 0.336645 -0.0538088  -0.0212904  -0.034663   126 ALA   A HB1  
3518 H HB2  . ALA   B 114 ? 0.457495 0.555297 0.319992 -0.0466134  -0.0322871  -0.0279703  126 ALA   A HB2  
3519 H HB3  . ALA   B 114 ? 0.440495 0.56704  0.332326 -0.0291583  -0.0268035  -0.036301   126 ALA   A HB3  
3520 N N    . THR   B 115 ? 0.357337 0.464588 0.248821 -0.0275651  -0.048765   -0.0262278  127 THR   A N    
3521 C CA   . THR   B 115 ? 0.356695 0.445522 0.247335 -0.0104971  -0.053265   -0.0240091  127 THR   A CA   
3522 C C    . THR   B 115 ? 0.340832 0.426854 0.244321 0.0102717   -0.0460451  -0.023621   127 THR   A C    
3523 O O    . THR   B 115 ? 0.358643 0.470389 0.280561 0.0173083   -0.039042   -0.0270658  127 THR   A O    
3524 C CB   . THR   B 115 ? 0.389929 0.505234 0.286889 -0.00924476 -0.0602579  -0.024566   127 THR   A CB   
3525 O OG1  . THR   B 115 ? 0.383792 0.492755 0.268602 -0.0301868  -0.0671382  -0.0286934  127 THR   A OG1  
3526 C CG2  . THR   B 115 ? 0.44644  0.55005  0.338497 0.00807928  -0.0637081  -0.0202892  127 THR   A CG2  
3527 H H    . THR   B 115 ? 0.363365 0.499637 0.267042 -0.0293227  -0.0467867  -0.0285364  127 THR   A H    
3528 H HA   . THR   B 115 ? 0.366616 0.428287 0.244528 -0.0145714  -0.0564981  -0.0225403  127 THR   A HA   
3529 H HB   . THR   B 115 ? 0.384365 0.530532 0.297027 -0.006255   -0.0582624  -0.0251273  127 THR   A HB   
3531 H HG21 . THR   B 115 ? 0.432501 0.556134 0.324795 0.00721979  -0.0695258  -0.0207277  127 THR   A HG21 
3532 H HG22 . THR   B 115 ? 0.432487 0.508252 0.311592 0.00543326  -0.0644189  -0.0211099  127 THR   A HG22 
3533 H HG23 . THR   B 115 ? 0.420655 0.525702 0.322843 0.0223772   -0.0590319  -0.0161535  127 THR   A HG23 
3534 N N    . LEU   B 116 ? 0.377688 0.431688 0.274676 0.0190578   -0.0466041  -0.0206781  128 LEU   A N    
3535 C CA   . LEU   B 116 ? 0.375644 0.419397 0.28605  0.0348774   -0.0394032  -0.0210016  128 LEU   A CA   
3536 C C    . LEU   B 116 ? 0.372434 0.407535 0.287854 0.0507247   -0.0396443  -0.0123384  128 LEU   A C    
3537 O O    . LEU   B 116 ? 0.360194 0.385757 0.26068  0.0479662   -0.0451338  -0.00886317 128 LEU   A O    
3538 C CB   . LEU   B 116 ? 0.378488 0.396183 0.280282 0.0291532   -0.0391332  -0.0243046  128 LEU   A CB   
3539 C CG   . LEU   B 116 ? 0.448609 0.478061 0.345307 0.017307    -0.0358707  -0.0323052  128 LEU   A CG   
3540 C CD1  . LEU   B 116 ? 0.496126 0.545004 0.381846 0.00094408  -0.0372501  -0.0315083  128 LEU   A CD1  
3541 C CD2  . LEU   B 116 ? 0.437896 0.44577  0.324364 0.0122212   -0.0394684  -0.0339015  128 LEU   A CD2  
3542 H H    . LEU   B 116 ? 0.372773 0.410468 0.258611 0.014453    -0.0510553  -0.0191491  128 LEU   A H    
3543 H HA   . LEU   B 116 ? 0.372293 0.433617 0.295833 0.0389169   -0.0341335  -0.0246204  128 LEU   A HA   
3544 H HB2  . LEU   B 116 ? 0.394801 0.398576 0.28496  0.0232692   -0.0447069  -0.0209798  128 LEU   A HB2  
3545 H HB3  . LEU   B 116 ? 0.388789 0.3962   0.300139 0.0388993   -0.0356131  -0.0243253  128 LEU   A HB3  
3546 H HG   . LEU   B 116 ? 0.437884 0.478856 0.348373 0.0247498   -0.0287718  -0.0383768  128 LEU   A HG   
3547 H HD11 . LEU   B 116 ? 0.478259 0.548989 0.37556  0.00425041  -0.03332    -0.0339097  128 LEU   A HD11 
3548 H HD12 . LEU   B 116 ? 0.490084 0.541674 0.367105 -0.0074866  -0.0353898  -0.0343696  128 LEU   A HD12 
3549 H HD13 . LEU   B 116 ? 0.486021 0.524298 0.3626   -0.00534578 -0.0435991  -0.0256743  128 LEU   A HD13 
3550 H HD21 . LEU   B 116 ? 0.438241 0.43613  0.335685 0.0215311   -0.0373228  -0.0358526  128 LEU   A HD21 
3551 H HD22 . LEU   B 116 ? 0.446036 0.441522 0.321898 0.00653772  -0.04631    -0.0271943  128 LEU   A HD22 
3552 H HD23 . LEU   B 116 ? 0.4495   0.467784 0.33031  0.00519328  -0.0370543  -0.0396401  128 LEU   A HD23 
3553 N N    . PHE   B 117 ? 0.318258 0.354122 0.254565 0.066563    -0.032009   -0.00953961 129 PHE   A N    
3554 C CA   . PHE   B 117 ? 0.345721 0.370337 0.287547 0.0813298   -0.0296556  0.00281003  129 PHE   A CA   
3555 C C    . PHE   B 117 ? 0.3743   0.372068 0.331445 0.0870391   -0.0205097  0.00089292  129 PHE   A C    
3556 O O    . PHE   B 117 ? 0.383631 0.381432 0.357825 0.088247    -0.0142227  -0.00929425 129 PHE   A O    
3557 C CB   . PHE   B 117 ? 0.33508  0.38649  0.293226 0.0962027   -0.0298704  0.013541    129 PHE   A CB   
3558 C CG   . PHE   B 117 ? 0.391046 0.430926 0.35399  0.112161    -0.026443   0.0318836   129 PHE   A CG   
3559 C CD1  . PHE   B 117 ? 0.425467 0.473307 0.365849 0.112421    -0.0328887  0.0428581   129 PHE   A CD1  
3560 C CD2  . PHE   B 117 ? 0.417006 0.439901 0.40701  0.126162    -0.0159102  0.0383446   129 PHE   A CD2  
3561 C CE1  . PHE   B 117 ? 0.423721 0.465458 0.364271 0.125927    -0.0286795  0.0629387   129 PHE   A CE1  
3562 C CE2  . PHE   B 117 ? 0.443508 0.452755 0.436098 0.137744    -0.0114991  0.058561    129 PHE   A CE2  
3563 C CZ   . PHE   B 117 ? 0.446196 0.465941 0.411941 0.137372    -0.0175414  0.072132    129 PHE   A CZ   
3564 H H    . PHE   B 117 ? 0.335111 0.377943 0.282748 0.0677943   -0.0272513  -0.0153152  129 PHE   A H    
3565 H HA   . PHE   B 117 ? 0.34538  0.364067 0.271611 0.0775503   -0.0338118  0.00577618  129 PHE   A HA   
3566 H HB2  . PHE   B 117 ? 0.348379 0.41975  0.297196 0.0910107   -0.0370392  0.0138742   129 PHE   A HB2  
3567 H HB3  . PHE   B 117 ? 0.347187 0.405339 0.323258 0.100393    -0.02497    0.00868089  129 PHE   A HB3  
3568 H HD1  . PHE   B 117 ? 0.413382 0.471963 0.337507 0.102683    -0.0397665  0.0365529   129 PHE   A HD1  
3569 H HD2  . PHE   B 117 ? 0.411933 0.428027 0.416048 0.125058    -0.0106597  0.027508    129 PHE   A HD2  
3570 H HE1  . PHE   B 117 ? 0.440405 0.489066 0.361345 0.124656    -0.0322078  0.0686074   129 PHE   A HE1  
3571 H HE2  . PHE   B 117 ? 0.446969 0.440668 0.459867 0.145806    -0.00360423 0.0633167   129 PHE   A HE2  
3572 H HZ   . PHE   B 117 ? 0.456717 0.471484 0.423082 0.145768    -0.0139212  0.0884013   129 PHE   A HZ   
3573 N N    . PHE   B 118 ? 0.386303 0.363951 0.340221 0.0903398   -0.0182149  0.00901891  130 PHE   A N    
3574 C CA   . PHE   B 118 ? 0.371705 0.32634  0.345624 0.0944409   -0.00906696 0.00848419  130 PHE   A CA   
3575 C C    . PHE   B 118 ? 0.396964 0.342052 0.377266 0.10561     -0.00223123 0.0268026   130 PHE   A C    
3576 O O    . PHE   B 118 ? 0.400704 0.352746 0.360698 0.106406    -0.00524491 0.0366286   130 PHE   A O    
3577 C CB   . PHE   B 118 ? 0.35953  0.298767 0.328263 0.0822865   -0.0116161  -0.00175818 130 PHE   A CB   
3578 C CG   . PHE   B 118 ? 0.356087 0.302921 0.315697 0.0698714   -0.0182853  -0.0165399  130 PHE   A CG   
3579 C CD1  . PHE   B 118 ? 0.376746 0.33276  0.313761 0.0601497   -0.0274611  -0.0172853  130 PHE   A CD1  
3580 C CD2  . PHE   B 118 ? 0.405514 0.349179 0.378446 0.065864    -0.0146824  -0.0305074  130 PHE   A CD2  
3581 C CE1  . PHE   B 118 ? 0.376404 0.338518 0.303021 0.0475794   -0.0325667  -0.0261798  130 PHE   A CE1  
3582 C CE2  . PHE   B 118 ? 0.381205 0.334952 0.33976  0.0530095   -0.0206352  -0.0425735  130 PHE   A CE2  
3583 C CZ   . PHE   B 118 ? 0.376631 0.340107 0.312045 0.0443121   -0.0290525  -0.0383897  130 PHE   A CZ   
3584 H H    . PHE   B 118 ? 0.381245 0.360564 0.321254 0.0890938   -0.0216608  0.0138678   130 PHE   A H    
3585 H HA   . PHE   B 118 ? 0.379289 0.335043 0.368745 0.0974782   -0.00499307 0.00272439  130 PHE   A HA   
3586 H HB2  . PHE   B 118 ? 0.3605   0.297919 0.316937 0.0806441   -0.0145155  0.00280136  130 PHE   A HB2  
3587 H HB3  . PHE   B 118 ? 0.365464 0.292439 0.350133 0.0841875   -0.00575371 -0.00237601 130 PHE   A HB3  
3588 H HD1  . PHE   B 118 ? 0.370888 0.32846  0.298863 0.061322    -0.0299074  -0.0112863  130 PHE   A HD1  
3589 H HD2  . PHE   B 118 ? 0.392851 0.327089 0.383551 0.0708559   -0.00804221 -0.031829   130 PHE   A HD2  
3590 H HE1  . PHE   B 118 ? 0.376961 0.342913 0.289739 0.0403967   -0.0379697  -0.0243576  130 PHE   A HE1  
3591 H HE2  . PHE   B 118 ? 0.39236  0.346495 0.357297 0.049768    -0.0179894  -0.0539084  130 PHE   A HE2  
3592 H HZ   . PHE   B 118 ? 0.382701 0.353341 0.30733  0.0351915   -0.0323089  -0.043825   130 PHE   A HZ   
3593 N N    . GLU   B 119 ? 0.395423 0.324021 0.403618 0.112981    0.00811161  0.0304013   131 GLU   A N    
3594 C CA   . GLU   B 119 ? 0.425385 0.337321 0.443792 0.119032    0.0177935   0.0478525   131 GLU   A CA   
3595 C C    . GLU   B 119 ? 0.470599 0.362167 0.505425 0.108179    0.023192    0.0348941   131 GLU   A C    
3596 O O    . GLU   B 119 ? 0.459796 0.343658 0.512697 0.103388    0.0243176   0.0174449   131 GLU   A O    
3597 C CB   . GLU   B 119 ? 0.418417 0.325542 0.459567 0.135354    0.0252042   0.0662159   131 GLU   A CB   
3598 C CG   . GLU   B 119 ? 0.486454 0.371204 0.543298 0.140588    0.0381389   0.0881325   131 GLU   A CG   
3599 C CD   . GLU   B 119 ? 0.48567  0.36344  0.566024 0.158377    0.0438789   0.110119    131 GLU   A CD   
3600 O OE1  . GLU   B 119 ? 0.50588  0.406156 0.571475 0.171253    0.0371554   0.132571    131 GLU   A OE1  
3601 O OE2  . GLU   B 119 ? 0.554706 0.404443 0.67239  0.160986    0.0546465   0.105516    131 GLU   A OE2  
3602 H H    . GLU   B 119 ? 0.402104 0.329438 0.423973 0.113495    0.010135    0.0211869   131 GLU   A H    
3603 H HA   . GLU   B 119 ? 0.425404 0.344772 0.424771 0.118778    0.0154933   0.0562196   131 GLU   A HA   
3604 H HB2  . GLU   B 119 ? 0.435894 0.36143  0.465093 0.141974    0.0194244   0.0757906   131 GLU   A HB2  
3605 H HB3  . GLU   B 119 ? 0.434742 0.336492 0.494555 0.136631    0.0274876   0.0550324   131 GLU   A HB3  
3606 H HG2  . GLU   B 119 ? 0.469111 0.336788 0.541698 0.13303     0.0439377   0.0778584   131 GLU   A HG2  
3607 H HG3  . GLU   B 119 ? 0.471328 0.36356  0.508197 0.139207    0.0375072   0.0986321   131 GLU   A HG3  
3608 N N    . ILE   B 120 ? 0.430915 0.318351 0.459666 0.103783    0.0262665   0.0411964   132 ILE   A N    
3609 C CA   . ILE   B 120 ? 0.384298 0.26158  0.429425 0.0924109   0.0281314   0.0285396   132 ILE   A CA   
3610 C C    . ILE   B 120 ? 0.411061 0.276717 0.474114 0.0939065   0.0427016   0.0447497   132 ILE   A C    
3611 O O    . ILE   B 120 ? 0.465072 0.338201 0.51046  0.0988163   0.0473548   0.0607996   132 ILE   A O    
3612 C CB   . ILE   B 120 ? 0.402349 0.29027  0.428979 0.0843149   0.0172148   0.0175926   132 ILE   A CB   
3613 C CG1  . ILE   B 120 ? 0.398905 0.298345 0.403794 0.0809007   0.00374119  0.00633448  132 ILE   A CG1  
3614 C CG2  . ILE   B 120 ? 0.408836 0.291991 0.459283 0.0747794   0.0179251   0.00792367  132 ILE   A CG2  
3615 C CD1  . ILE   B 120 ? 0.396045 0.300897 0.381569 0.0750722   -0.00636887 0.00178367  132 ILE   A CD1  
3616 H H    . ILE   B 120 ? 0.434191 0.327938 0.448994 0.107943    0.0273011   0.053232    132 ILE   A H    
3617 H HA   . ILE   B 120 ? 0.401458 0.272793 0.461475 0.0888837   0.027785    0.0170486   132 ILE   A HA   
3618 H HB   . ILE   B 120 ? 0.400679 0.292868 0.414253 0.0878804   0.019318    0.0264588   132 ILE   A HB   
3619 H HG12 . ILE   B 120 ? 0.397707 0.295685 0.411863 0.0764735   0.00185231  -0.00407943 132 ILE   A HG12 
3620 H HG13 . ILE   B 120 ? 0.401245 0.306588 0.397144 0.0867122   0.00409998  0.0125865   132 ILE   A HG13 
3621 H HG21 . ILE   B 120 ? 0.397855 0.287608 0.43927  0.0709032   0.00890017  0.00102843  132 ILE   A HG21 
3622 H HG22 . ILE   B 120 ? 0.40953  0.287117 0.476319 0.0707527   0.0187299   -6.725e-05  132 ILE   A HG22 
3623 H HG23 . ILE   B 120 ? 0.41173  0.292414 0.471059 0.076423    0.0266161   0.0166787   132 ILE   A HG23 
3624 H HD11 . ILE   B 120 ? 0.397832 0.303262 0.37549  0.0789454   -0.00311702 0.00872904  132 ILE   A HD11 
3625 H HD12 . ILE   B 120 ? 0.391438 0.302521 0.363196 0.0722779   -0.0132758  -0.00223274 132 ILE   A HD12 
3626 H HD13 . ILE   B 120 ? 0.392097 0.294123 0.387887 0.0700886   -0.00900316 -0.00407119 132 ILE   A HD13 
3627 N N    . GLU   B 121 ? 0.4208   0.270831 0.517447 0.0867672   0.0497784   0.0374952   133 GLU   A N    
3628 C CA   . GLU   B 121 ? 0.46357  0.303388 0.584885 0.0821705   0.0641104   0.0485515   133 GLU   A CA   
3629 C C    . GLU   B 121 ? 0.447685 0.295953 0.584959 0.0685341   0.0592019   0.0300693   133 GLU   A C    
3630 O O    . GLU   B 121 ? 0.478342 0.324087 0.632603 0.0591295   0.0518897   0.00914394  133 GLU   A O    
3631 C CB   . GLU   B 121 ? 0.523543 0.33709  0.678764 0.0830886   0.0764891   0.0548391   133 GLU   A CB   
3632 C CG   . GLU   B 121 ? 0.52655  0.326482 0.710741 0.0763343   0.0943514   0.0709148   133 GLU   A CG   
3633 C CD   . GLU   B 121 ? 0.617148 0.384098 0.84147  0.0742799   0.107348    0.0752715   133 GLU   A CD   
3634 O OE1  . GLU   B 121 ? 0.606086 0.359494 0.838911 0.0795435   0.103189    0.0622091   133 GLU   A OE1  
3635 O OE2  . GLU   B 121 ? 0.614541 0.369283 0.863638 0.0668278   0.123268    0.0911064   133 GLU   A OE2  
3636 H H    . GLU   B 121 ? 0.424304 0.270822 0.529668 0.0833418   0.0458696   0.0235846   133 GLU   A H    
3637 H HA   . GLU   B 121 ? 0.468352 0.314026 0.57524  0.0873265   0.0692769   0.0645423   133 GLU   A HA   
3638 H HB2  . GLU   B 121 ? 0.519803 0.330173 0.666329 0.0939207   0.0775351   0.0673679   133 GLU   A HB2  
3639 H HB3  . GLU   B 121 ? 0.508542 0.316928 0.677342 0.0771193   0.0721771   0.035569    133 GLU   A HB3  
3640 H HG2  . GLU   B 121 ? 0.533947 0.342226 0.727869 0.0661184   0.0927878   0.0590742   133 GLU   A HG2  
3641 H HG3  . GLU   B 121 ? 0.55085  0.356685 0.718997 0.082558    0.10007     0.0911741   133 GLU   A HG3  
3642 N N    . LEU   B 122 ? 0.451168 0.311073 0.586408 0.067868    0.06504     0.0386141   134 LEU   A N    
3643 C CA   . LEU   B 122 ? 0.425524 0.297909 0.584835 0.057451    0.0619387   0.025339    134 LEU   A CA   
3644 C C    . LEU   B 122 ? 0.461825 0.325477 0.66515  0.0467138   0.07692     0.0284535   134 LEU   A C    
3645 O O    . LEU   B 122 ? 0.52211  0.383155 0.733446 0.0478794   0.0953423   0.0480306   134 LEU   A O    
3646 C CB   . LEU   B 122 ? 0.451353 0.341556 0.595472 0.0628753   0.0632871   0.0297193   134 LEU   A CB   
3647 C CG   . LEU   B 122 ? 0.406462 0.314093 0.580396 0.0560887   0.0587383   0.0175518   134 LEU   A CG   
3648 C CD1  . LEU   B 122 ? 0.40184  0.314359 0.577884 0.0504209   0.036221    -0.00058064 134 LEU   A CD1  
3649 C CD2  . LEU   B 122 ? 0.474677 0.396258 0.63376  0.0651896   0.0613465   0.0195511   134 LEU   A CD2  
3650 H H    . LEU   B 122 ? 0.452584 0.315129 0.571937 0.0744086   0.0711181   0.0525638   134 LEU   A H    
3651 H HA   . LEU   B 122 ? 0.428561 0.30438  0.587747 0.0532619   0.0489246   0.0102286   134 LEU   A HA   
3652 H HB2  . LEU   B 122 ? 0.427834 0.320315 0.545235 0.068294    0.054011    0.0270527   134 LEU   A HB2  
3653 H HB3  . LEU   B 122 ? 0.447844 0.337213 0.588708 0.0662433   0.0770232   0.0437973   134 LEU   A HB3  
3654 H HG   . LEU   B 122 ? 0.434283 0.342823 0.636953 0.0494753   0.0689229   0.0200753   134 LEU   A HG   
3655 H HD11 . LEU   B 122 ? 0.404028 0.310883 0.595134 0.0427951   0.0354952   -0.00654143 134 LEU   A HD11 
3656 H HD12 . LEU   B 122 ? 0.394645 0.321053 0.585189 0.0492263   0.0307082   -0.00544064 134 LEU   A HD12 
3657 H HD13 . LEU   B 122 ? 0.39478  0.303475 0.543065 0.0552196   0.0280359   -0.00141814 134 LEU   A HD13 
3658 H HD21 . LEU   B 122 ? 0.462764 0.383077 0.61041  0.0691837   0.0749134   0.0304234   134 LEU   A HD21 
3659 H HD22 . LEU   B 122 ? 0.444133 0.364088 0.580734 0.069362    0.049563    0.0145786   134 LEU   A HD22 
3660 H HD23 . LEU   B 122 ? 0.4481   0.382175 0.63265  0.0626526   0.0615958   0.0144756   134 LEU   A HD23 
3661 N N    . LEU   B 123 ? 0.495551 0.356862 0.727871 0.0338649   0.0694362   0.00824377  135 LEU   A N    
3662 C CA   . LEU   B 123 ? 0.530777 0.379524 0.808127 0.0205989   0.0832143   0.00765519  135 LEU   A CA   
3663 C C    . LEU   B 123 ? 0.508595 0.382491 0.818011 0.00995039  0.0856506   0.00412108  135 LEU   A C    
3664 O O    . LEU   B 123 ? 0.516435 0.387133 0.856902 0.00235368  0.104624    0.0162794   135 LEU   A O    
3665 C CB   . LEU   B 123 ? 0.529988 0.365694 0.823585 0.0101973   0.0744531   -0.0173526  135 LEU   A CB   
3666 C CG   . LEU   B 123 ? 0.572158 0.38498  0.844714 0.0209248   0.0744472   -0.0177626  135 LEU   A CG   
3667 C CD1  . LEU   B 123 ? 0.61299  0.417318 0.902727 0.00892444  0.0674768   -0.0496064  135 LEU   A CD1  
3668 C CD2  . LEU   B 123 ? 0.618995 0.404528 0.901564 0.0296525   0.0950534   0.0101459   135 LEU   A CD2  
3669 H H    . LEU   B 123 ? 0.479231 0.347256 0.702521 0.0322657   0.0555805   -0.00576926 135 LEU   A H    
3670 H HA   . LEU   B 123 ? 0.539337 0.37297  0.817176 0.0250651   0.0974991   0.0258366   135 LEU   A HA   
3671 H HB2  . LEU   B 123 ? 0.526087 0.379731 0.815325 0.00546087  0.0595605   -0.033426   135 LEU   A HB2  
3672 H HB3  . LEU   B 123 ? 0.555654 0.382283 0.882504 -0.00071994 0.0835237   -0.0201069  135 LEU   A HB3  
3673 H HG   . LEU   B 123 ? 0.558863 0.382535 0.799872 0.0301807   0.0655333   -0.0152502  135 LEU   A HG   
3674 H HD11 . LEU   B 123 ? 0.592638 0.416879 0.881567 0.00011318  0.0551164   -0.0649411  135 LEU   A HD11 
3675 H HD12 . LEU   B 123 ? 0.603544 0.40195  0.87507  0.0170258   0.0647111   -0.0532822  135 LEU   A HD12 
3676 H HD13 . LEU   B 123 ? 0.624757 0.410774 0.945073 0.00159166  0.0784546   -0.0514467  135 LEU   A HD13 
3677 H HD21 . LEU   B 123 ? 0.604951 0.399035 0.86634  0.0387481   0.0974858   0.0287055   135 LEU   A HD21 
3678 H HD22 . LEU   B 123 ? 0.627362 0.403311 0.940677 0.0197977   0.105499    0.0122644   135 LEU   A HD22 
3679 H HD23 . LEU   B 123 ? 0.621792 0.391616 0.902032 0.0358914   0.0956341   0.00791041  135 LEU   A HD23 
3680 N N    . ASP   B 124 ? 0.489176 0.389049 0.793138 0.00967734  0.0662558   -0.0112288  136 ASP   A N    
3681 C CA   . ASP   B 124 ? 0.489486 0.419014 0.830023 0.00124497  0.0636506   -0.0177732  136 ASP   A CA   
3682 C C    . ASP   B 124 ? 0.452105 0.405102 0.773068 0.00958833  0.0406808   -0.0262444  136 ASP   A C    
3683 O O    . ASP   B 124 ? 0.44661  0.391828 0.73072  0.0148566   0.0248135   -0.0321733  136 ASP   A O    
3684 C CB   . ASP   B 124 ? 0.515068 0.44663  0.903877 -0.0202131  0.0633126   -0.0342353  136 ASP   A CB   
3685 C CG   . ASP   B 124 ? 0.556145 0.518342 0.996894 -0.0315341  0.0700012   -0.0347957  136 ASP   A CG   
3686 O OD1  . ASP   B 124 ? 0.522122 0.505006 0.963401 -0.0208367  0.0770584   -0.0223486  136 ASP   A OD1  
3687 O OD2  . ASP   B 124 ? 0.580783 0.546872 1.06382  -0.0515408  0.0697268   -0.0492254  136 ASP   A OD2  
3688 H H    . ASP   B 124 ? 0.480785 0.380826 0.758904 0.0152571   0.0539299   -0.0167697  136 ASP   A H    
3689 H HA   . ASP   B 124 ? 0.491853 0.42522  0.839447 0.00452111  0.0788659   -0.00420685 136 ASP   A HA   
3690 H HB2  . ASP   B 124 ? 0.537184 0.444657 0.931557 -0.024109   0.0756202   -0.0299573  136 ASP   A HB2  
3691 H HB3  . ASP   B 124 ? 0.516663 0.45433  0.900049 -0.0245272  0.0459761   -0.0508093  136 ASP   A HB3  
3692 N N    . PHE   B 125 ? 0.418096 0.400251 0.768446 0.0105199   0.0403215   -0.0256309  137 PHE   A N    
3693 C CA   . PHE   B 125 ? 0.410213 0.416916 0.76     0.0162052   0.0166258   -0.0334231  137 PHE   A CA   
3694 C C    . PHE   B 125 ? 0.467594 0.511469 0.874647 0.0101091   0.0152264   -0.0378433  137 PHE   A C    
3695 O O    . PHE   B 125 ? 0.490501 0.542616 0.930026 0.00712933  0.0379557   -0.0310838  137 PHE   A O    
3696 C CB   . PHE   B 125 ? 0.391646 0.390621 0.701279 0.0355054   0.0150281   -0.0238692  137 PHE   A CB   
3697 C CG   . PHE   B 125 ? 0.378402 0.379711 0.692773 0.0456299   0.0392742   -0.0125144  137 PHE   A CG   
3698 C CD1  . PHE   B 125 ? 0.383295 0.411998 0.732705 0.052358    0.0428317   -0.0135655  137 PHE   A CD1  
3699 C CD2  . PHE   B 125 ? 0.390704 0.369846 0.673587 0.0491743   0.0583552   -0.00100113 137 PHE   A CD2  
3700 C CE1  . PHE   B 125 ? 0.39515  0.42778  0.74469  0.0613614   0.0678433   -0.00649809 137 PHE   A CE1  
3701 C CE2  . PHE   B 125 ? 0.46579  0.451149 0.74687  0.0567417   0.0812109   0.00857744  137 PHE   A CE2  
3702 C CZ   . PHE   B 125 ? 0.430797 0.442261 0.742856 0.0625724   0.0865994   0.00395669  137 PHE   A CZ   
3703 H H    . PHE   B 125 ? 0.432414 0.419622 0.80515  0.00811462  0.0557701   -0.0189926  137 PHE   A H    
3704 H HA   . PHE   B 125 ? 0.417991 0.42308  0.757642 0.0102354   0.00105077  -0.0431738  137 PHE   A HA   
3705 H HB2  . PHE   B 125 ? 0.384809 0.397127 0.697408 0.0391369   -0.00105861 -0.0274296  137 PHE   A HB2  
3706 H HB3  . PHE   B 125 ? 0.390101 0.369854 0.666598 0.0373123   0.0133925   -0.0225038  137 PHE   A HB3  
3707 H HD1  . PHE   B 125 ? 0.378323 0.424484 0.750539 0.0515107   0.0280243   -0.0193696  137 PHE   A HD1  
3708 H HD2  . PHE   B 125 ? 0.406204 0.368481 0.670154 0.0462966   0.056124    0.00037217  137 PHE   A HD2  
3709 H HE1  . PHE   B 125 ? 0.40042  0.452646 0.776132 0.0668836   0.0719166   -0.00893837 137 PHE   A HE1  
3710 H HE2  . PHE   B 125 ? 0.44971  0.422986 0.706562 0.0589888   0.0926198   0.0178253   137 PHE   A HE2  
3711 H HZ   . PHE   B 125 ? 0.440864 0.457988 0.750155 0.0675024   0.103974    0.0083828   137 PHE   A HZ   
3712 N N    . LYS   B 126 ? 0.458153 0.528049 0.877806 0.00826532  -0.0117274  -0.0475342  138 LYS   A N    
3713 C CA   . LYS   B 126 ? 0.451784 0.564836 0.930348 0.00129952  -0.0201782  -0.0536863  138 LYS   A CA   
3714 C C    . LYS   B 126 ? 0.408678 0.545022 0.884918 0.0164794   -0.0461704  -0.0502864  138 LYS   A C    
3715 O O    . LYS   B 126 ? 0.390553 0.512462 0.822362 0.0209821   -0.0648981  -0.0493467  138 LYS   A O    
3716 C CB   . LYS   B 126 ? 0.434157 0.557931 0.939771 -0.0242309  -0.0293417  -0.0716906  138 LYS   A CB   
3717 H H    . LYS   B 126 ? 0.454734 0.517553 0.845254 0.0114108   -0.026279   -0.0494139  138 LYS   A H    
3718 H HA   . LYS   B 126 ? 0.44119  0.560991 0.944488 0.00365784  -0.00137129 -0.0477849  138 LYS   A HA   
3721 N N    . GLY   B 127 ? 0.465553 0.638449 0.992957 0.0242362   -0.0462772  -0.0471922  139 GLY   A N    
3722 C CA   . GLY   B 127 ? 0.489911 0.689442 1.0308   0.0394353   -0.0722158  -0.0419219  139 GLY   A CA   
3723 C C    . GLY   B 127 ? 0.556737 0.774512 1.08714  0.0271797   -0.10782    -0.0483518  139 GLY   A C    
3724 O O    . GLY   B 127 ? 0.582224 0.809825 1.12251  0.00436986  -0.11139    -0.0631722  139 GLY   A O    
3725 H H    . GLY   B 127 ? 0.45571  0.637836 1.01303  0.0203644   -0.0287422  -0.0473405  139 GLY   A H    
3726 H HA2  . GLY   B 127 ? 0.495815 0.674082 1.00769  0.0540899   -0.0701508  -0.0342353  139 GLY   A HA2  
3727 H HA3  . GLY   B 127 ? 0.495207 0.723547 1.08229  0.0433825   -0.0681697  -0.0414006  139 GLY   A HA3  
3728 N N    . GLU   B 128 ? 0.627091 0.846983 1.13478  0.0414401   -0.132738   -0.0373137  140 GLU   A N    
3729 C CA   . GLU   B 128 ? 0.690678 0.944385 1.19907  0.0336167   -0.169904   -0.0380727  140 GLU   A CA   
3730 C C    . GLU   B 128 ? 0.668135 0.979515 1.2479   0.022493    -0.179987   -0.0476143  140 GLU   A C    
3731 O O    . GLU   B 128 ? 0.643375 0.971463 1.22493  -0.00272271 -0.189704   -0.0657483  140 GLU   A O    
3732 C CB   . GLU   B 128 ? 0.736654 0.986016 1.22273  0.0547176   -0.191866   -0.0170716  140 GLU   A CB   
3733 O OXT  . GLU   B 128 ? 0.531769 0.870277 1.16668  0.0383388   -0.175425   -0.0393673  140 GLU   A OXT  
3734 H H    . GLU   B 128 ? 0.618045 0.817498 1.10817  0.0559896   -0.126345   -0.0283653  140 GLU   A H    
3735 H HA   . GLU   B 128 ? 0.686619 0.92806  1.16172  0.0195189   -0.173529   -0.0469868  140 GLU   A HA   
3738 C C4   . A1INY C .   ? 0.579239 0.387866 0.331433 -0.00204189 -0.0468147  -0.0399343  201 A1INY B C4   
3739 C C14  . A1INY C .   ? 0.64896  0.45135  0.36821  0.0358012   0.0211549   -0.0247581  201 A1INY B C14  
3740 C C5   . A1INY C .   ? 0.632558 0.418846 0.367641 0.00322856  -0.0389222  -0.0479178  201 A1INY B C5   
3741 C C6   . A1INY C .   ? 0.66504  0.432492 0.36102  0.0115938   -0.0366179  -0.0554407  201 A1INY B C6   
3742 C C11  . A1INY C .   ? 0.802675 0.508845 0.468807 0.0339222   -0.00794702 -0.0749961  201 A1INY B C11  
3743 C C7   . A1INY C .   ? 0.694152 0.464213 0.366742 0.0140945   -0.0424322  -0.0532579  201 A1INY B C7   
3744 C C8   . A1INY C .   ? 0.741481 0.490955 0.356672 0.0328506   -0.0171136  -0.0519033  201 A1INY B C8   
3745 C C9   . A1INY C .   ? 0.741948 0.469272 0.429948 0.0177273   -0.025859   -0.0707681  201 A1INY B C9   
3746 C C10  . A1INY C .   ? 0.796078 0.504899 0.477824 0.00537905  -0.0457858  -0.086487   201 A1INY B C10  
3747 C C12  . A1INY C .   ? 0.799995 0.528707 0.490834 0.0433069   0.0106658   -0.0595427  201 A1INY B C12  
3748 C C13  . A1INY C .   ? 0.653237 0.440229 0.380299 0.0337544   0.012432    -0.0335591  201 A1INY B C13  
3749 N N1   . A1INY C .   ? 0.763729 0.522811 0.460629 0.0430562   0.016589    -0.046383   201 A1INY B N1   
3750 N N2   . A1INY C .   ? 0.688632 0.474894 0.373485 0.0467056   0.0317864   -0.0312752  201 A1INY B N2   
3751 C C3   . A1INY C .   ? 0.605654 0.415538 0.336104 0.00151181  -0.0526252  -0.0379971  201 A1INY B C3   
3752 N N3   . A1INY C .   ? 0.730139 0.488993 0.399126 0.0524675   0.0288209   -0.0457284  201 A1INY B N3   
3753 C C1   . A1INY C .   ? 0.607319 0.407239 0.280826 0.0119353   -0.0631064  -0.0311907  201 A1INY B C1   
3754 O O1   . A1INY C .   ? 0.65522  0.441182 0.317009 0.0137255   -0.0562292  -0.0411401  201 A1INY B O1   
3755 C C2   . A1INY C .   ? 0.643605 0.43385  0.334363 0.00876095  -0.0516901  -0.0444258  201 A1INY B C2   
3756 O O2   . A1INY C .   ? 0.728587 0.477385 0.356129 0.0230235   -0.0399978  -0.0608279  201 A1INY B O2   
3757 O O3   . A1INY C .   ? 0.723785 0.466008 0.396257 0.0198462   -0.0279087  -0.0652379  201 A1INY B O3   
3758 C C15  . A1INY C .   ? 0.61013  0.437785 0.349515 0.0269997   0.0195352   -0.0110798  201 A1INY B C15  
3759 C C16  . A1INY C .   ? 0.620449 0.438999 0.336842 0.0212008   0.00618632  -0.0128305  201 A1INY B C16  
3760 C C17  . A1INY C .   ? 0.654925 0.465187 0.336056 0.0274572   0.0178741   -0.00974109 201 A1INY B C17  
3761 C C18  . A1INY C .   ? 0.598202 0.432277 0.336437 0.011669    -0.00343431 -0.00424808 201 A1INY B C18  
3762 O O4   . A1INY C .   ? 0.571821 0.414499 0.340002 0.00663823  -0.0118581  -0.00645965 201 A1INY B O4   
3763 C C19  . A1INY C .   ? 0.5894   0.450207 0.383369 0.00122314  -0.0126711  0.0022712   201 A1INY B C19  
3764 O O5   . A1INY C .   ? 0.551481 0.421161 0.348057 -0.00120967 -0.00805376 0.0109639   201 A1INY B O5   
3765 C C20  . A1INY C .   ? 0.499336 0.366268 0.317136 -0.00290746 -0.0202079  -0.00010147 201 A1INY B C20  
3766 C C21  . A1INY C .   ? 0.523449 0.404046 0.364017 -0.00139573 -0.0114239  0.00735649  201 A1INY B C21  
3767 C C22  . A1INY C .   ? 0.566757 0.439995 0.40247  0.00792985  0.00043777  0.005681    201 A1INY B C22  
3768 C C23  . A1INY C .   ? 0.58926  0.438905 0.41518  0.00880255  -0.00408725 -0.00495802 201 A1INY B C23  
3769 C C24  . A1INY C .   ? 0.56918  0.40471  0.371926 0.00460923  -0.0145466  -0.0151244  201 A1INY B C24  
3770 N N4   . A1INY C .   ? 0.520922 0.370834 0.328959 -0.00240689 -0.0252412  -0.0113912  201 A1INY B N4   
3771 C C25  . A1INY C .   ? 0.574862 0.421018 0.37639  -0.00687233 -0.0393312  -0.0188482  201 A1INY B C25  
3772 O O6   . A1INY C .   ? 0.53847  0.395045 0.34234  -0.00853292 -0.0472321  -0.0156386  201 A1INY B O6   
3773 C C26  . A1INY C .   ? 0.564238 0.392204 0.354199 -0.00928284 -0.046993   -0.0323896  201 A1INY B C26  
3774 C C27  . A1INY C .   ? 0.5626   0.402333 0.368636 -0.0184764  -0.0632914  -0.0374031  201 A1INY B C27  
3775 C C28  . A1INY C .   ? 0.537245 0.393679 0.376832 -0.0256067  -0.0609059  -0.0310226  201 A1INY B C28  
3776 C C29  . A1INY C .   ? 0.583223 0.457833 0.442701 -0.0340714  -0.074103   -0.0353982  201 A1INY B C29  
3777 C C30  . A1INY C .   ? 0.59594  0.45814  0.450922 -0.0426173  -0.0847225  -0.0488787  201 A1INY B C30  
3778 C C31  . A1INY C .   ? 0.64047  0.485112 0.458998 -0.0345489  -0.091585   -0.0571089  201 A1INY B C31  
3779 C C32  . A1INY C .   ? 0.6003   0.424308 0.394762 -0.0241529  -0.0753805  -0.0525824  201 A1INY B C32  
3780 H H5   . A1INY C .   ? 0.62286  0.405107 0.370881 0.00219413  -0.0345764  -0.04808    201 A1INY B H5   
3781 H H14  . A1INY C .   ? 0.822846 0.506445 0.484842 0.0329648   -0.0108409  -0.0840639  201 A1INY B H14  
3782 H H13  . A1INY C .   ? 0.825714 0.52448  0.463416 0.0399248   -0.00601382 -0.0797973  201 A1INY B H13  
3783 H H7   . A1INY C .   ? 0.774249 0.509218 0.355536 0.0393072   -0.0149871  -0.0567061  201 A1INY B H7   
3784 H H8   . A1INY C .   ? 0.734956 0.484157 0.36341  0.0354503   -0.00750094 -0.0526779  201 A1INY B H8   
3785 H H6   . A1INY C .   ? 0.719383 0.4842   0.34646  0.030681    -0.0131707  -0.0401648  201 A1INY B H6   
3786 H H9   . A1INY C .   ? 0.718769 0.461696 0.434961 0.0140988   -0.0232299  -0.0614619  201 A1INY B H9   
3787 H H11  . A1INY C .   ? 0.818881 0.511851 0.470847 0.00911003  -0.0499967  -0.0965036  201 A1INY B H11  
3788 H H12  . A1INY C .   ? 0.764863 0.491562 0.463237 -0.00329483 -0.0561141  -0.0833598  201 A1INY B H12  
3789 H H10  . A1INY C .   ? 0.793883 0.488818 0.484578 0.00237824  -0.0441648  -0.0896986  201 A1INY B H10  
3790 H H16  . A1INY C .   ? 0.77054  0.505527 0.486333 0.0381508   0.00801156  -0.0545454  201 A1INY B H16  
3791 H H15  . A1INY C .   ? 0.815507 0.531657 0.493999 0.0551281   0.021815    -0.0631539  201 A1INY B H15  
3792 H H17  . A1INY C .   ? 0.646451 0.439376 0.393912 0.0269858   0.00546501  -0.0312395  201 A1INY B H17  
3793 H H4   . A1INY C .   ? 0.585374 0.40717  0.325698 -0.00051457 -0.0582659  -0.0330707  201 A1INY B H4   
3794 H H2   . A1INY C .   ? 0.637322 0.428694 0.285011 0.016697    -0.0654587  -0.0286579  201 A1INY B H2   
3795 H H3   . A1INY C .   ? 0.594738 0.403563 0.285135 0.0101309   -0.0530993  -0.0224823  201 A1INY B H3   
3796 H H1   . A1INY C .   ? 0.604691 0.413251 0.29438  0.00813233  -0.0755614  -0.0355377  201 A1INY B H1   
3797 H H19  . A1INY C .   ? 0.587232 0.424629 0.35054  0.0222758   0.014485    -0.00810274 201 A1INY B H19  
3798 H H18  . A1INY C .   ? 0.611787 0.451383 0.354327 0.0300949   0.0318475   -0.00392347 201 A1INY B H18  
3799 H H20  . A1INY C .   ? 0.633807 0.439057 0.340408 0.0207647   -0.00410564 -0.0225814  201 A1INY B H20  
3800 H H23  . A1INY C .   ? 0.64666  0.470952 0.339183 0.0271762   0.030082    -0.00049932 201 A1INY B H23  
3801 H H21  . A1INY C .   ? 0.662497 0.466518 0.328365 0.0247506   0.00914202  -0.00878215 201 A1INY B H21  
3802 H H22  . A1INY C .   ? 0.680385 0.477197 0.342097 0.034625    0.0219827   -0.0177833  201 A1INY B H22  
3803 H H25  . A1INY C .   ? 0.58848  0.433667 0.334961 0.0102928   0.00515671  0.00466155  201 A1INY B H25  
3804 H H24  . A1INY C .   ? 0.606452 0.433095 0.328963 0.0105462   -0.0123949  -0.00577985 201 A1INY B H24  
3805 H H26  . A1INY C .   ? 0.508169 0.380623 0.331155 -0.00675519 -0.0279388  0.00090919  201 A1INY B H26  
3806 H H28  . A1INY C .   ? 0.509315 0.401272 0.355769 -0.00312911 -0.00926604 0.0136441   201 A1INY B H28  
3807 H H27  . A1INY C .   ? 0.508311 0.391534 0.360939 -0.00417284 -0.015849   0.00725768  201 A1INY B H27  
3808 H H29  . A1INY C .   ? 0.550982 0.43567  0.402338 0.0104344   0.00503036  0.0114004   201 A1INY B H29  
3809 H H30  . A1INY C .   ? 0.574354 0.44591  0.397021 0.0111574   0.00641945  0.00562511  201 A1INY B H30  
3810 H H31  . A1INY C .   ? 0.568627 0.420313 0.408171 0.00463122  -0.00832466 -0.00347404 201 A1INY B H31  
3811 H H32  . A1INY C .   ? 0.595441 0.436254 0.415767 0.016352    0.00358836  -0.00688718 201 A1INY B H32  
3812 H H33  . A1INY C .   ? 0.580619 0.403914 0.382084 0.001809    -0.0198456  -0.0221457  201 A1INY B H33  
3813 H H34  . A1INY C .   ? 0.589037 0.417053 0.372981 0.0101188   -0.00934959 -0.017508   201 A1INY B H34  
3814 H H35  . A1INY C .   ? 0.570099 0.391165 0.367101 -0.00954675 -0.0411288  -0.0330304  201 A1INY B H35  
3815 H H36  . A1INY C .   ? 0.55994  0.407772 0.361041 -0.01599    -0.0687295  -0.035213   201 A1INY B H36  
3816 H H38  . A1INY C .   ? 0.553826 0.400162 0.397035 -0.0276212  -0.0553284  -0.0315794  201 A1INY B H38  
3817 H H37  . A1INY C .   ? 0.530841 0.396806 0.375885 -0.0222995  -0.0554194  -0.02285    201 A1INY B H37  
3818 H H39  . A1INY C .   ? 0.562705 0.446856 0.418518 -0.0298889  -0.0800213  -0.0345716  201 A1INY B H39  
3819 H H40  . A1INY C .   ? 0.551317 0.436481 0.430149 -0.0380061  -0.0698777  -0.0303064  201 A1INY B H40  
3820 H H41  . A1INY C .   ? 0.597966 0.476534 0.469964 -0.0489319  -0.0933348  -0.0515125  201 A1INY B H41  
3821 H H42  . A1INY C .   ? 0.611003 0.459361 0.468054 -0.0467847  -0.0786489  -0.04971    201 A1INY B H42  
3822 H H43  . A1INY C .   ? 0.620943 0.477123 0.436007 -0.0300766  -0.098073   -0.0552097  201 A1INY B H43  
3823 H H44  . A1INY C .   ? 0.647251 0.482535 0.460244 -0.0401337  -0.100182   -0.0673626  201 A1INY B H44  
3824 H H46  . A1INY C .   ? 0.618787 0.429185 0.4144   -0.026298   -0.0698875  -0.0553249  201 A1INY B H46  
3825 H H45  . A1INY C .   ? 0.629898 0.443574 0.399381 -0.0188212  -0.0783426  -0.0571174  201 A1INY B H45  
3826 C C4   . A1INY D .   ? 0.428985 0.448948 0.324556 -0.00156406 -0.0236896  -0.110457   201 A1INY A C4   
3827 C C14  . A1INY D .   ? 0.565656 0.578492 0.474487 -0.0269194  -0.0619611  -0.13748    201 A1INY A C14  
3828 C C5   . A1INY D .   ? 0.445501 0.463566 0.355873 -0.00173969 -0.0165422  -0.135115   201 A1INY A C5   
3829 C C6   . A1INY D .   ? 0.557171 0.594579 0.443668 -0.0173814  -0.0194343  -0.153473   201 A1INY A C6   
3830 C C11  . A1INY D .   ? 0.660105 0.67202  0.604598 -0.0220639  -0.00479754 -0.224575   201 A1INY A C11  
3831 C C7   . A1INY D .   ? 0.543708 0.603945 0.391462 -0.0313782  -0.0267561  -0.144339   201 A1INY A C7   
3832 C C8   . A1INY D .   ? 0.520555 0.604194 0.327266 -0.055735   -0.0484152  -0.155221   201 A1INY A C8   
3833 C C9   . A1INY D .   ? 0.593978 0.610308 0.53004  -0.010582   -0.00101062 -0.198596   201 A1INY A C9   
3834 C C10  . A1INY D .   ? 0.647578 0.673084 0.593926 -0.00183766 0.0188313   -0.214071   201 A1INY A C10  
3835 C C12  . A1INY D .   ? 0.619788 0.612628 0.583885 -0.0208837  -0.0173588  -0.207092   201 A1INY A C12  
3836 C C13  . A1INY D .   ? 0.569327 0.567087 0.503659 -0.0173993  -0.042909   -0.150722   201 A1INY A C13  
3837 N N1   . A1INY D .   ? 0.611811 0.617988 0.548815 -0.0266552  -0.0373469  -0.18186    201 A1INY A N1   
3838 N N2   . A1INY D .   ? 0.585439 0.619203 0.479493 -0.0416452  -0.0687655  -0.158542   201 A1INY A N2   
3839 C C3   . A1INY D .   ? 0.438952 0.477723 0.301164 -0.0158476  -0.0299129  -0.103009   201 A1INY A C3   
3840 N N3   . A1INY D .   ? 0.612731 0.642868 0.52273  -0.0426832  -0.0534581  -0.188224   201 A1INY A N3   
3841 C C1   . A1INY D .   ? 0.532289 0.597557 0.326611 -0.0470176  -0.0470188  -0.0770078  201 A1INY A C1   
3842 O O1   . A1INY D .   ? 0.520075 0.596742 0.321064 -0.0461161  -0.0384781  -0.105262   201 A1INY A O1   
3843 C C2   . A1INY D .   ? 0.556638 0.614572 0.393724 -0.0306974  -0.0324477  -0.116606   201 A1INY A C2   
3844 O O2   . A1INY D .   ? 0.512603 0.5967   0.333349 -0.0468787  -0.0276403  -0.164176   201 A1INY A O2   
3845 O O3   . A1INY D .   ? 0.518516 0.558731 0.412411 -0.0227279  -0.0138226  -0.183356   201 A1INY A O3   
3846 C C15  . A1INY D .   ? 0.515603 0.523913 0.413429 -0.0228287  -0.0744751  -0.106531   201 A1INY A C15  
3847 C C16  . A1INY D .   ? 0.474285 0.492825 0.338226 -0.0272157  -0.0747012  -0.0937756  201 A1INY A C16  
3848 C C17  . A1INY D .   ? 0.597725 0.639819 0.427781 -0.0427984  -0.090405   -0.0909008  201 A1INY A C17  
3849 C C18  . A1INY D .   ? 0.47555  0.4772   0.34038  -0.0189812  -0.0779384  -0.0675535  201 A1INY A C18  
3850 O O4   . A1INY D .   ? 0.42892  0.416701 0.315342 -0.00614965 -0.0631076  -0.0692471  201 A1INY A O4   
3851 C C19  . A1INY D .   ? 0.462829 0.434285 0.356461 0.00232867  -0.0651458  -0.0523298  201 A1INY A C19  
3852 O O5   . A1INY D .   ? 0.439227 0.403422 0.327644 0.00138933  -0.0762117  -0.0384924  201 A1INY A O5   
3853 C C20  . A1INY D .   ? 0.393097 0.356201 0.305262 0.0149767   -0.051349   -0.0534333  201 A1INY A C20  
3854 C C21  . A1INY D .   ? 0.408029 0.35453  0.343501 0.0241017   -0.0507307  -0.0485246  201 A1INY A C21  
3855 C C22  . A1INY D .   ? 0.381592 0.328114 0.337346 0.0214825   -0.0489095  -0.0627037  201 A1INY A C22  
3856 C C23  . A1INY D .   ? 0.373434 0.321348 0.33917  0.0243558   -0.0351504  -0.077331   201 A1INY A C23  
3857 C C24  . A1INY D .   ? 0.370749 0.338695 0.311565 0.0160044   -0.0352816  -0.087195   201 A1INY A C24  
3858 N N4   . A1INY D .   ? 0.377553 0.351447 0.297124 0.0153045   -0.0398084  -0.0711077  201 A1INY A N4   
3859 C C25  . A1INY D .   ? 0.37013  0.361223 0.275695 0.0115376   -0.034931   -0.0735793  201 A1INY A C25  
3860 O O6   . A1INY D .   ? 0.407221 0.403863 0.293981 0.00541768  -0.0404864  -0.0610919  201 A1INY A O6   
3861 C C26  . A1INY D .   ? 0.429362 0.433451 0.345857 0.0138161   -0.0211855  -0.0938156  201 A1INY A C26  
3862 C C27  . A1INY D .   ? 0.406217 0.427954 0.325117 0.0188335   -0.0125712  -0.0908036  201 A1INY A C27  
3863 C C28  . A1INY D .   ? 0.366886 0.378424 0.303661 0.0339025   -0.0123368  -0.0744771  201 A1INY A C28  
3864 C C29  . A1INY D .   ? 0.423998 0.45996  0.370388 0.0402683   -0.00547077 -0.0729356  201 A1INY A C29  
3865 C C30  . A1INY D .   ? 0.435718 0.487376 0.402294 0.0468044   0.00894787  -0.0915504  201 A1INY A C30  
3866 C C31  . A1INY D .   ? 0.445095 0.506726 0.390198 0.0301114   0.0115999   -0.109904   201 A1INY A C31  
3867 C C32  . A1INY D .   ? 0.409836 0.447427 0.343766 0.0230078   0.00289805  -0.112681   201 A1INY A C32  
3868 H H5   . A1INY D .   ? 0.459817 0.46269  0.394715 0.0072277   -0.0111544  -0.138499   201 A1INY A H5   
3869 H H14  . A1INY D .   ? 0.657471 0.659758 0.623402 -0.0178833  0.00844084  -0.24452    201 A1INY A H14  
3870 H H13  . A1INY D .   ? 0.659976 0.6929   0.576931 -0.0350302  -0.0118408  -0.233573   201 A1INY A H13  
3871 H H7   . A1INY D .   ? 0.546091 0.649175 0.33122  -0.0672383  -0.0507768  -0.168438   201 A1INY A H7   
3872 H H8   . A1INY D .   ? 0.511721 0.579734 0.342845 -0.0496743  -0.050768   -0.159468   201 A1INY A H8   
3873 H H6   . A1INY D .   ? 0.514817 0.595662 0.310172 -0.0565614  -0.0579131  -0.131596   201 A1INY A H6   
3874 H H9   . A1INY D .   ? 0.572029 0.571343 0.524645 -0.00091958 -0.00281061 -0.18052    201 A1INY A H9   
3875 H H11  . A1INY D .   ? 0.652552 0.697534 0.579707 -0.011799   0.0219454   -0.231665   201 A1INY A H11  
3876 H H12  . A1INY D .   ? 0.617585 0.648152 0.561623 0.00464809  0.0193897   -0.196527   201 A1INY A H12  
3877 H H10  . A1INY D .   ? 0.638076 0.646311 0.614124 0.00733499  0.0285115   -0.224313   201 A1INY A H10  
3878 H H16  . A1INY D .   ? 0.611616 0.585751 0.597878 -0.00853685 -0.0102588  -0.194979   201 A1INY A H16  
3879 H H15  . A1INY D .   ? 0.641219 0.631302 0.617388 -0.0284069  -0.0183761  -0.225233   201 A1INY A H15  
3880 H H17  . A1INY D .   ? 0.556569 0.54145  0.503532 -0.00655115 -0.0354701  -0.140395   201 A1INY A H17  
3881 H H4   . A1INY D .   ? 0.451054 0.487982 0.306325 -0.0166193  -0.0339366  -0.0873746  201 A1INY A H4   
3882 H H2   . A1INY D .   ? 0.542719 0.618029 0.312209 -0.0587855  -0.0521491  -0.0675422  201 A1INY A H2   
3883 H H3   . A1INY D .   ? 0.513768 0.560583 0.318588 -0.0408873  -0.0559092  -0.0684254  201 A1INY A H3   
3884 H H1   . A1INY D .   ? 0.513189 0.579785 0.318057 -0.0424424  -0.0386102  -0.0759062  201 A1INY A H1   
3885 H H19  . A1INY D .   ? 0.49424  0.486266 0.410715 -0.0127151  -0.0692844  -0.0980211  201 A1INY A H19  
3886 H H18  . A1INY D .   ? 0.518205 0.533038 0.414484 -0.0275623  -0.087696   -0.102388   201 A1INY A H18  
3887 H H20  . A1INY D .   ? 0.503599 0.526493 0.366577 -0.0264733  -0.0623724  -0.104751   201 A1INY A H20  
3888 H H23  . A1INY D .   ? 0.566224 0.605674 0.401294 -0.0420309  -0.103468   -0.0800402  201 A1INY A H23  
3889 H H21  . A1INY D .   ? 0.573109 0.620261 0.382216 -0.0468112  -0.0898712  -0.0800229  201 A1INY A H21  
3890 H H22  . A1INY D .   ? 0.581627 0.637388 0.406668 -0.0496611  -0.0877195  -0.110494   201 A1INY A H22  
3891 H H25  . A1INY D .   ? 0.462469 0.457148 0.335372 -0.0165554  -0.0874582  -0.0586134  201 A1INY A H25  
3892 H H24  . A1INY D .   ? 0.474177 0.482453 0.317661 -0.0251193  -0.0803815  -0.0587667  201 A1INY A H24  
3893 H H26  . A1INY D .   ? 0.398028 0.361392 0.301437 0.0158392   -0.0511538  -0.0451931  201 A1INY A H26  
3894 H H28  . A1INY D .   ? 0.394397 0.336441 0.325532 0.0232827   -0.0584631  -0.0398992  201 A1INY A H28  
3895 H H27  . A1INY D .   ? 0.387592 0.328576 0.330619 0.0322567   -0.0432601  -0.0444702  201 A1INY A H27  
3896 H H29  . A1INY D .   ? 0.380406 0.317873 0.353328 0.0262833   -0.0470937  -0.0585073  201 A1INY A H29  
3897 H H30  . A1INY D .   ? 0.394363 0.349875 0.341367 0.0129564   -0.0579472  -0.0670828  201 A1INY A H30  
3898 H H31  . A1INY D .   ? 0.36723  0.30807  0.341249 0.0337524   -0.0278677  -0.069854   201 A1INY A H31  
3899 H H32  . A1INY D .   ? 0.38069  0.324862 0.362284 0.022121    -0.0325466  -0.0883105  201 A1INY A H32  
3900 H H33  . A1INY D .   ? 0.38143  0.350584 0.332659 0.0202494   -0.024985   -0.0971693  201 A1INY A H33  
3901 H H34  . A1INY D .   ? 0.388264 0.364797 0.318854 0.00626904  -0.0418648  -0.0951516  201 A1INY A H34  
3902 H H35  . A1INY D .   ? 0.409911 0.401788 0.347878 0.0220537   -0.0158709  -0.0990921  201 A1INY A H35  
3903 H H36  . A1INY D .   ? 0.405972 0.438568 0.304952 0.00892083  -0.0172829  -0.0846297  201 A1INY A H36  
3904 H H38  . A1INY D .   ? 0.384063 0.381862 0.338614 0.0428314   -0.00847832 -0.0761293  201 A1INY A H38  
3905 H H37  . A1INY D .   ? 0.378522 0.382686 0.303844 0.0304491   -0.020701   -0.0629034  201 A1INY A H37  
3906 H H39  . A1INY D .   ? 0.408941 0.457162 0.338897 0.0300132   -0.00963731 -0.0689628  201 A1INY A H39  
3907 H H40  . A1INY D .   ? 0.40173  0.43286  0.358569 0.0502595   -0.00668705 -0.0625231  201 A1INY A H40  
3908 H H41  . A1INY D .   ? 0.431367 0.502872 0.405745 0.0506723   0.0121886   -0.0891397  201 A1INY A H41  
3909 H H42  . A1INY D .   ? 0.436728 0.473633 0.423362 0.0578301   0.013795    -0.0945454  201 A1INY A H42  
3910 H H43  . A1INY D .   ? 0.437474 0.51394  0.363401 0.0191444   0.00803921  -0.104467   201 A1INY A H43  
3911 H H44  . A1INY D .   ? 0.447556 0.519059 0.405769 0.034285    0.0227729   -0.125777   201 A1INY A H44  
3912 H H46  . A1INY D .   ? 0.42269  0.445923 0.377476 0.0319155   0.00777583  -0.119186   201 A1INY A H46  
3913 H H45  . A1INY D .   ? 0.435708 0.483602 0.353655 0.0120551   0.00329278  -0.124213   201 A1INY A H45  
# 
