data_9AYN
# 
_entry.id   9AYN 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9AYN         pdb_00009ayn 10.2210/pdb9ayn/pdb 
WWPDB D_1000282247 ?            ?                   
# 
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 
1 'Structure model' 1 0 2024-12-11 
2 'Structure model' 1 1 2025-01-22 
# 
_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             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               '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 
# 
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.year'                    
5 2 '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                        9AYN 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              schmitzk@udel.edu 
_pdbx_contact_author.name_first         Karl 
_pdbx_contact_author.name_last          Schmitz 
_pdbx_contact_author.name_mi            R 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-1411-7624 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Presloid, C.J.'  1 ?                   
'Jiang, J.'       2 ?                   
'Beardslee, P.C.' 3 0000-0002-8847-3333 
'Anderson, H.R.'  4 ?                   
'Swayne, T.M.'    5 ?                   
'Schmitz, K.R.'   6 0000-0003-1411-7624 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Mol.Microbiol. 
_citation.journal_id_ASTM           MOMIEE 
_citation.journal_id_CSD            2007 
_citation.journal_id_ISSN           1365-2958 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            123 
_citation.language                  ? 
_citation.page_first                16 
_citation.page_last                 30 
_citation.title                     
'ClpS Directs Degradation of N-Degron Substrates With Primary Destabilizing Residues in Mycolicibacterium smegmatis.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1111/mmi.15334 
_citation.pdbx_database_id_PubMed   39626090 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Presloid, C.J.'  1 ? 
primary 'Jiang, J.'       2 ? 
primary 'Kandel, P.'      3 ? 
primary 'Anderson, H.R.'  4 ? 
primary 'Beardslee, P.C.' 5 ? 
primary 'Swayne, T.M.'    6 ? 
primary 'Schmitz, K.R.'   7 ? 
# 
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 'ATP-dependent Clp protease adapter protein ClpS' 9022.167 2   ? ? ? ? 
2 non-polymer syn 'NICKEL (II) ION'                                 58.693   4   ? ? ? ? 
3 non-polymer syn 'MAGNESIUM ION'                                   24.305   2   ? ? ? ? 
4 water       nat water                                             18.015   384 ? ? ? ? 
# 
_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       ESTEAPWVTIVWDDPVNLMSYVTYVFQKLFGYSEPHATKLMLQVHNEGKAVVSAGSRESMEVDVSKLHAAGLWATMQQDR 
_entity_poly.pdbx_seq_one_letter_code_can   ESTEAPWVTIVWDDPVNLMSYVTYVFQKLFGYSEPHATKLMLQVHNEGKAVVSAGSRESMEVDVSKLHAAGLWATMQQDR 
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'NICKEL (II) ION' NI  
3 'MAGNESIUM ION'   MG  
4 water             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLU n 
1 2  SER n 
1 3  THR n 
1 4  GLU n 
1 5  ALA n 
1 6  PRO n 
1 7  TRP n 
1 8  VAL n 
1 9  THR n 
1 10 ILE n 
1 11 VAL n 
1 12 TRP n 
1 13 ASP n 
1 14 ASP n 
1 15 PRO n 
1 16 VAL n 
1 17 ASN n 
1 18 LEU n 
1 19 MET n 
1 20 SER n 
1 21 TYR n 
1 22 VAL n 
1 23 THR n 
1 24 TYR n 
1 25 VAL n 
1 26 PHE n 
1 27 GLN n 
1 28 LYS n 
1 29 LEU n 
1 30 PHE n 
1 31 GLY n 
1 32 TYR n 
1 33 SER n 
1 34 GLU n 
1 35 PRO n 
1 36 HIS n 
1 37 ALA n 
1 38 THR n 
1 39 LYS n 
1 40 LEU n 
1 41 MET n 
1 42 LEU n 
1 43 GLN n 
1 44 VAL n 
1 45 HIS n 
1 46 ASN n 
1 47 GLU n 
1 48 GLY n 
1 49 LYS n 
1 50 ALA n 
1 51 VAL n 
1 52 VAL n 
1 53 SER n 
1 54 ALA n 
1 55 GLY n 
1 56 SER n 
1 57 ARG n 
1 58 GLU n 
1 59 SER n 
1 60 MET n 
1 61 GLU n 
1 62 VAL n 
1 63 ASP n 
1 64 VAL n 
1 65 SER n 
1 66 LYS n 
1 67 LEU n 
1 68 HIS n 
1 69 ALA n 
1 70 ALA n 
1 71 GLY n 
1 72 LEU n 
1 73 TRP n 
1 74 ALA n 
1 75 THR n 
1 76 MET n 
1 77 GLN n 
1 78 GLN n 
1 79 ASP n 
1 80 ARG 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                   80 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'clpS, MSMEG_4910' 
_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      'Mycolicibacterium smegmatis MC2 155' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     246196 
_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 B' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     37762 
_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               ER2566 
_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          pET22b 
_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 
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 
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 
MG  non-polymer         . 'MAGNESIUM ION'   ? 'Mg 2'           24.305  
NI  non-polymer         . 'NICKEL (II) ION' ? 'Ni 2'           58.693  
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  GLU 1  21  21  GLU GLU A . n 
A 1 2  SER 2  22  22  SER SER A . n 
A 1 3  THR 3  23  23  THR THR A . n 
A 1 4  GLU 4  24  24  GLU GLU A . n 
A 1 5  ALA 5  25  25  ALA ALA A . n 
A 1 6  PRO 6  26  26  PRO PRO A . n 
A 1 7  TRP 7  27  27  TRP TRP A . n 
A 1 8  VAL 8  28  28  VAL VAL A . n 
A 1 9  THR 9  29  29  THR THR A . n 
A 1 10 ILE 10 30  30  ILE ILE A . n 
A 1 11 VAL 11 31  31  VAL VAL A . n 
A 1 12 TRP 12 32  32  TRP TRP A . n 
A 1 13 ASP 13 33  33  ASP ASP A . n 
A 1 14 ASP 14 34  34  ASP ASP A . n 
A 1 15 PRO 15 35  35  PRO PRO A . n 
A 1 16 VAL 16 36  36  VAL VAL A . n 
A 1 17 ASN 17 37  37  ASN ASN A . n 
A 1 18 LEU 18 38  38  LEU LEU A . n 
A 1 19 MET 19 39  39  MET MET A . n 
A 1 20 SER 20 40  40  SER SER A . n 
A 1 21 TYR 21 41  41  TYR TYR A . n 
A 1 22 VAL 22 42  42  VAL VAL A . n 
A 1 23 THR 23 43  43  THR THR A . n 
A 1 24 TYR 24 44  44  TYR TYR A . n 
A 1 25 VAL 25 45  45  VAL VAL A . n 
A 1 26 PHE 26 46  46  PHE PHE A . n 
A 1 27 GLN 27 47  47  GLN GLN A . n 
A 1 28 LYS 28 48  48  LYS LYS A . n 
A 1 29 LEU 29 49  49  LEU LEU A . n 
A 1 30 PHE 30 50  50  PHE PHE A . n 
A 1 31 GLY 31 51  51  GLY GLY A . n 
A 1 32 TYR 32 52  52  TYR TYR A . n 
A 1 33 SER 33 53  53  SER SER A . n 
A 1 34 GLU 34 54  54  GLU GLU A . n 
A 1 35 PRO 35 55  55  PRO PRO A . n 
A 1 36 HIS 36 56  56  HIS HIS A . n 
A 1 37 ALA 37 57  57  ALA ALA A . n 
A 1 38 THR 38 58  58  THR THR A . n 
A 1 39 LYS 39 59  59  LYS LYS A . n 
A 1 40 LEU 40 60  60  LEU LEU A . n 
A 1 41 MET 41 61  61  MET MET A . n 
A 1 42 LEU 42 62  62  LEU LEU A . n 
A 1 43 GLN 43 63  63  GLN GLN A . n 
A 1 44 VAL 44 64  64  VAL VAL A . n 
A 1 45 HIS 45 65  65  HIS HIS A . n 
A 1 46 ASN 46 66  66  ASN ASN A . n 
A 1 47 GLU 47 67  67  GLU GLU A . n 
A 1 48 GLY 48 68  68  GLY GLY A . n 
A 1 49 LYS 49 69  69  LYS LYS A . n 
A 1 50 ALA 50 70  70  ALA ALA A . n 
A 1 51 VAL 51 71  71  VAL VAL A . n 
A 1 52 VAL 52 72  72  VAL VAL A . n 
A 1 53 SER 53 73  73  SER SER A . n 
A 1 54 ALA 54 74  74  ALA ALA A . n 
A 1 55 GLY 55 75  75  GLY GLY A . n 
A 1 56 SER 56 76  76  SER SER A . n 
A 1 57 ARG 57 77  77  ARG ARG A . n 
A 1 58 GLU 58 78  78  GLU GLU A . n 
A 1 59 SER 59 79  79  SER SER A . n 
A 1 60 MET 60 80  80  MET MET A . n 
A 1 61 GLU 61 81  81  GLU GLU A . n 
A 1 62 VAL 62 82  82  VAL VAL A . n 
A 1 63 ASP 63 83  83  ASP ASP A . n 
A 1 64 VAL 64 84  84  VAL VAL A . n 
A 1 65 SER 65 85  85  SER SER A . n 
A 1 66 LYS 66 86  86  LYS LYS A . n 
A 1 67 LEU 67 87  87  LEU LEU A . n 
A 1 68 HIS 68 88  88  HIS HIS A . n 
A 1 69 ALA 69 89  89  ALA ALA A . n 
A 1 70 ALA 70 90  90  ALA ALA A . n 
A 1 71 GLY 71 91  91  GLY GLY A . n 
A 1 72 LEU 72 92  92  LEU LEU A . n 
A 1 73 TRP 73 93  93  TRP TRP A . n 
A 1 74 ALA 74 94  94  ALA ALA A . n 
A 1 75 THR 75 95  95  THR THR A . n 
A 1 76 MET 76 96  96  MET MET A . n 
A 1 77 GLN 77 97  97  GLN GLN A . n 
A 1 78 GLN 78 98  98  GLN GLN A . n 
A 1 79 ASP 79 99  99  ASP ASP A . n 
A 1 80 ARG 80 100 100 ARG ARG A . n 
B 1 1  GLU 1  21  ?   ?   ?   B . n 
B 1 2  SER 2  22  ?   ?   ?   B . n 
B 1 3  THR 3  23  ?   ?   ?   B . n 
B 1 4  GLU 4  24  24  GLU GLU B . n 
B 1 5  ALA 5  25  25  ALA ALA B . n 
B 1 6  PRO 6  26  26  PRO PRO B . n 
B 1 7  TRP 7  27  27  TRP TRP B . n 
B 1 8  VAL 8  28  28  VAL VAL B . n 
B 1 9  THR 9  29  29  THR THR B . n 
B 1 10 ILE 10 30  30  ILE ILE B . n 
B 1 11 VAL 11 31  31  VAL VAL B . n 
B 1 12 TRP 12 32  32  TRP TRP B . n 
B 1 13 ASP 13 33  33  ASP ASP B . n 
B 1 14 ASP 14 34  34  ASP ASP B . n 
B 1 15 PRO 15 35  35  PRO PRO B . n 
B 1 16 VAL 16 36  36  VAL VAL B . n 
B 1 17 ASN 17 37  37  ASN ASN B . n 
B 1 18 LEU 18 38  38  LEU LEU B . n 
B 1 19 MET 19 39  39  MET MET B . n 
B 1 20 SER 20 40  40  SER SER B . n 
B 1 21 TYR 21 41  41  TYR TYR B . n 
B 1 22 VAL 22 42  42  VAL VAL B . n 
B 1 23 THR 23 43  43  THR THR B . n 
B 1 24 TYR 24 44  44  TYR TYR B . n 
B 1 25 VAL 25 45  45  VAL VAL B . n 
B 1 26 PHE 26 46  46  PHE PHE B . n 
B 1 27 GLN 27 47  47  GLN GLN B . n 
B 1 28 LYS 28 48  48  LYS LYS B . n 
B 1 29 LEU 29 49  49  LEU LEU B . n 
B 1 30 PHE 30 50  50  PHE PHE B . n 
B 1 31 GLY 31 51  51  GLY GLY B . n 
B 1 32 TYR 32 52  52  TYR TYR B . n 
B 1 33 SER 33 53  53  SER SER B . n 
B 1 34 GLU 34 54  54  GLU GLU B . n 
B 1 35 PRO 35 55  55  PRO PRO B . n 
B 1 36 HIS 36 56  56  HIS HIS B . n 
B 1 37 ALA 37 57  57  ALA ALA B . n 
B 1 38 THR 38 58  58  THR THR B . n 
B 1 39 LYS 39 59  59  LYS LYS B . n 
B 1 40 LEU 40 60  60  LEU LEU B . n 
B 1 41 MET 41 61  61  MET MET B . n 
B 1 42 LEU 42 62  62  LEU LEU B . n 
B 1 43 GLN 43 63  63  GLN GLN B . n 
B 1 44 VAL 44 64  64  VAL VAL B . n 
B 1 45 HIS 45 65  65  HIS HIS B . n 
B 1 46 ASN 46 66  66  ASN ASN B . n 
B 1 47 GLU 47 67  67  GLU GLU B . n 
B 1 48 GLY 48 68  68  GLY GLY B . n 
B 1 49 LYS 49 69  69  LYS LYS B . n 
B 1 50 ALA 50 70  70  ALA ALA B . n 
B 1 51 VAL 51 71  71  VAL VAL B . n 
B 1 52 VAL 52 72  72  VAL VAL B . n 
B 1 53 SER 53 73  73  SER SER B . n 
B 1 54 ALA 54 74  74  ALA ALA B . n 
B 1 55 GLY 55 75  75  GLY GLY B . n 
B 1 56 SER 56 76  76  SER SER B . n 
B 1 57 ARG 57 77  77  ARG ARG B . n 
B 1 58 GLU 58 78  78  GLU GLU B . n 
B 1 59 SER 59 79  79  SER SER B . n 
B 1 60 MET 60 80  80  MET MET B . n 
B 1 61 GLU 61 81  81  GLU GLU B . n 
B 1 62 VAL 62 82  82  VAL VAL B . n 
B 1 63 ASP 63 83  83  ASP ASP B . n 
B 1 64 VAL 64 84  84  VAL VAL B . n 
B 1 65 SER 65 85  85  SER SER B . n 
B 1 66 LYS 66 86  86  LYS LYS B . n 
B 1 67 LEU 67 87  87  LEU LEU B . n 
B 1 68 HIS 68 88  88  HIS HIS B . n 
B 1 69 ALA 69 89  89  ALA ALA B . n 
B 1 70 ALA 70 90  90  ALA ALA B . n 
B 1 71 GLY 71 91  91  GLY GLY B . n 
B 1 72 LEU 72 92  92  LEU LEU B . n 
B 1 73 TRP 73 93  93  TRP TRP B . n 
B 1 74 ALA 74 94  94  ALA ALA B . n 
B 1 75 THR 75 95  95  THR THR B . n 
B 1 76 MET 76 96  96  MET MET B . n 
B 1 77 GLN 77 97  97  GLN GLN B . n 
B 1 78 GLN 78 98  98  GLN GLN B . n 
B 1 79 ASP 79 99  99  ASP ASP B . n 
B 1 80 ARG 80 100 100 ARG ARG B . n 
# 
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 NI  1   201 3   NI  NI  A . 
D 2 NI  1   202 4   NI  NI  A . 
E 3 MG  1   203 3   MG  MG  A . 
F 2 NI  1   201 1   NI  NI  B . 
G 2 NI  1   202 2   NI  NI  B . 
H 3 MG  1   203 4   MG  MG  B . 
I 4 HOH 1   301 98  HOH HOH A . 
I 4 HOH 2   302 374 HOH HOH A . 
I 4 HOH 3   303 349 HOH HOH A . 
I 4 HOH 4   304 389 HOH HOH A . 
I 4 HOH 5   305 196 HOH HOH A . 
I 4 HOH 6   306 82  HOH HOH A . 
I 4 HOH 7   307 71  HOH HOH A . 
I 4 HOH 8   308 322 HOH HOH A . 
I 4 HOH 9   309 339 HOH HOH A . 
I 4 HOH 10  310 232 HOH HOH A . 
I 4 HOH 11  311 5   HOH HOH A . 
I 4 HOH 12  312 325 HOH HOH A . 
I 4 HOH 13  313 107 HOH HOH A . 
I 4 HOH 14  314 255 HOH HOH A . 
I 4 HOH 15  315 316 HOH HOH A . 
I 4 HOH 16  316 59  HOH HOH A . 
I 4 HOH 17  317 171 HOH HOH A . 
I 4 HOH 18  318 32  HOH HOH A . 
I 4 HOH 19  319 169 HOH HOH A . 
I 4 HOH 20  320 106 HOH HOH A . 
I 4 HOH 21  321 48  HOH HOH A . 
I 4 HOH 22  322 7   HOH HOH A . 
I 4 HOH 23  323 261 HOH HOH A . 
I 4 HOH 24  324 93  HOH HOH A . 
I 4 HOH 25  325 88  HOH HOH A . 
I 4 HOH 26  326 29  HOH HOH A . 
I 4 HOH 27  327 34  HOH HOH A . 
I 4 HOH 28  328 97  HOH HOH A . 
I 4 HOH 29  329 51  HOH HOH A . 
I 4 HOH 30  330 102 HOH HOH A . 
I 4 HOH 31  331 243 HOH HOH A . 
I 4 HOH 32  332 49  HOH HOH A . 
I 4 HOH 33  333 289 HOH HOH A . 
I 4 HOH 34  334 103 HOH HOH A . 
I 4 HOH 35  335 75  HOH HOH A . 
I 4 HOH 36  336 70  HOH HOH A . 
I 4 HOH 37  337 43  HOH HOH A . 
I 4 HOH 38  338 237 HOH HOH A . 
I 4 HOH 39  339 19  HOH HOH A . 
I 4 HOH 40  340 11  HOH HOH A . 
I 4 HOH 41  341 333 HOH HOH A . 
I 4 HOH 42  342 100 HOH HOH A . 
I 4 HOH 43  343 22  HOH HOH A . 
I 4 HOH 44  344 8   HOH HOH A . 
I 4 HOH 45  345 54  HOH HOH A . 
I 4 HOH 46  346 64  HOH HOH A . 
I 4 HOH 47  347 105 HOH HOH A . 
I 4 HOH 48  348 285 HOH HOH A . 
I 4 HOH 49  349 30  HOH HOH A . 
I 4 HOH 50  350 379 HOH HOH A . 
I 4 HOH 51  351 272 HOH HOH A . 
I 4 HOH 52  352 10  HOH HOH A . 
I 4 HOH 53  353 80  HOH HOH A . 
I 4 HOH 54  354 16  HOH HOH A . 
I 4 HOH 55  355 276 HOH HOH A . 
I 4 HOH 56  356 312 HOH HOH A . 
I 4 HOH 57  357 74  HOH HOH A . 
I 4 HOH 58  358 372 HOH HOH A . 
I 4 HOH 59  359 61  HOH HOH A . 
I 4 HOH 60  360 231 HOH HOH A . 
I 4 HOH 61  361 94  HOH HOH A . 
I 4 HOH 62  362 55  HOH HOH A . 
I 4 HOH 63  363 117 HOH HOH A . 
I 4 HOH 64  364 66  HOH HOH A . 
I 4 HOH 65  365 136 HOH HOH A . 
I 4 HOH 66  366 351 HOH HOH A . 
I 4 HOH 67  367 163 HOH HOH A . 
I 4 HOH 68  368 63  HOH HOH A . 
I 4 HOH 69  369 183 HOH HOH A . 
I 4 HOH 70  370 99  HOH HOH A . 
I 4 HOH 71  371 40  HOH HOH A . 
I 4 HOH 72  372 86  HOH HOH A . 
I 4 HOH 73  373 45  HOH HOH A . 
I 4 HOH 74  374 128 HOH HOH A . 
I 4 HOH 75  375 274 HOH HOH A . 
I 4 HOH 76  376 13  HOH HOH A . 
I 4 HOH 77  377 76  HOH HOH A . 
I 4 HOH 78  378 90  HOH HOH A . 
I 4 HOH 79  379 68  HOH HOH A . 
I 4 HOH 80  380 258 HOH HOH A . 
I 4 HOH 81  381 271 HOH HOH A . 
I 4 HOH 82  382 108 HOH HOH A . 
I 4 HOH 83  383 301 HOH HOH A . 
I 4 HOH 84  384 240 HOH HOH A . 
I 4 HOH 85  385 297 HOH HOH A . 
I 4 HOH 86  386 367 HOH HOH A . 
I 4 HOH 87  387 218 HOH HOH A . 
I 4 HOH 88  388 27  HOH HOH A . 
I 4 HOH 89  389 262 HOH HOH A . 
I 4 HOH 90  390 189 HOH HOH A . 
I 4 HOH 91  391 56  HOH HOH A . 
I 4 HOH 92  392 260 HOH HOH A . 
I 4 HOH 93  393 332 HOH HOH A . 
I 4 HOH 94  394 73  HOH HOH A . 
I 4 HOH 95  395 284 HOH HOH A . 
I 4 HOH 96  396 290 HOH HOH A . 
I 4 HOH 97  397 123 HOH HOH A . 
I 4 HOH 98  398 356 HOH HOH A . 
I 4 HOH 99  399 141 HOH HOH A . 
I 4 HOH 100 400 125 HOH HOH A . 
I 4 HOH 101 401 277 HOH HOH A . 
I 4 HOH 102 402 350 HOH HOH A . 
I 4 HOH 103 403 69  HOH HOH A . 
I 4 HOH 104 404 191 HOH HOH A . 
I 4 HOH 105 405 244 HOH HOH A . 
I 4 HOH 106 406 264 HOH HOH A . 
I 4 HOH 107 407 245 HOH HOH A . 
I 4 HOH 108 408 348 HOH HOH A . 
I 4 HOH 109 409 81  HOH HOH A . 
I 4 HOH 110 410 256 HOH HOH A . 
I 4 HOH 111 411 263 HOH HOH A . 
I 4 HOH 112 412 257 HOH HOH A . 
I 4 HOH 113 413 165 HOH HOH A . 
I 4 HOH 114 414 118 HOH HOH A . 
I 4 HOH 115 415 320 HOH HOH A . 
I 4 HOH 116 416 158 HOH HOH A . 
I 4 HOH 117 417 357 HOH HOH A . 
I 4 HOH 118 418 166 HOH HOH A . 
I 4 HOH 119 419 250 HOH HOH A . 
I 4 HOH 120 420 268 HOH HOH A . 
I 4 HOH 121 421 273 HOH HOH A . 
I 4 HOH 122 422 144 HOH HOH A . 
I 4 HOH 123 423 142 HOH HOH A . 
I 4 HOH 124 424 311 HOH HOH A . 
I 4 HOH 125 425 134 HOH HOH A . 
I 4 HOH 126 426 313 HOH HOH A . 
I 4 HOH 127 427 155 HOH HOH A . 
I 4 HOH 128 428 388 HOH HOH A . 
I 4 HOH 129 429 269 HOH HOH A . 
I 4 HOH 130 430 153 HOH HOH A . 
I 4 HOH 131 431 366 HOH HOH A . 
I 4 HOH 132 432 310 HOH HOH A . 
I 4 HOH 133 433 299 HOH HOH A . 
I 4 HOH 134 434 238 HOH HOH A . 
I 4 HOH 135 435 85  HOH HOH A . 
I 4 HOH 136 436 168 HOH HOH A . 
I 4 HOH 137 437 42  HOH HOH A . 
I 4 HOH 138 438 122 HOH HOH A . 
I 4 HOH 139 439 375 HOH HOH A . 
I 4 HOH 140 440 198 HOH HOH A . 
I 4 HOH 141 441 363 HOH HOH A . 
I 4 HOH 142 442 182 HOH HOH A . 
I 4 HOH 143 443 378 HOH HOH A . 
I 4 HOH 144 444 206 HOH HOH A . 
I 4 HOH 145 445 201 HOH HOH A . 
I 4 HOH 146 446 298 HOH HOH A . 
I 4 HOH 147 447 303 HOH HOH A . 
I 4 HOH 148 448 368 HOH HOH A . 
I 4 HOH 149 449 121 HOH HOH A . 
I 4 HOH 150 450 39  HOH HOH A . 
I 4 HOH 151 451 217 HOH HOH A . 
I 4 HOH 152 452 60  HOH HOH A . 
I 4 HOH 153 453 364 HOH HOH A . 
I 4 HOH 154 454 371 HOH HOH A . 
I 4 HOH 155 455 159 HOH HOH A . 
I 4 HOH 156 456 280 HOH HOH A . 
I 4 HOH 157 457 104 HOH HOH A . 
I 4 HOH 158 458 133 HOH HOH A . 
I 4 HOH 159 459 26  HOH HOH A . 
I 4 HOH 160 460 246 HOH HOH A . 
I 4 HOH 161 461 359 HOH HOH A . 
I 4 HOH 162 462 293 HOH HOH A . 
I 4 HOH 163 463 249 HOH HOH A . 
I 4 HOH 164 464 251 HOH HOH A . 
I 4 HOH 165 465 12  HOH HOH A . 
I 4 HOH 166 466 270 HOH HOH A . 
I 4 HOH 167 467 323 HOH HOH A . 
I 4 HOH 168 468 230 HOH HOH A . 
I 4 HOH 169 469 295 HOH HOH A . 
I 4 HOH 170 470 281 HOH HOH A . 
I 4 HOH 171 471 235 HOH HOH A . 
I 4 HOH 172 472 267 HOH HOH A . 
I 4 HOH 173 473 160 HOH HOH A . 
I 4 HOH 174 474 282 HOH HOH A . 
I 4 HOH 175 475 253 HOH HOH A . 
I 4 HOH 176 476 326 HOH HOH A . 
I 4 HOH 177 477 377 HOH HOH A . 
I 4 HOH 178 478 360 HOH HOH A . 
J 4 HOH 1   301 178 HOH HOH B . 
J 4 HOH 2   302 259 HOH HOH B . 
J 4 HOH 3   303 387 HOH HOH B . 
J 4 HOH 4   304 24  HOH HOH B . 
J 4 HOH 5   305 89  HOH HOH B . 
J 4 HOH 6   306 222 HOH HOH B . 
J 4 HOH 7   307 317 HOH HOH B . 
J 4 HOH 8   308 186 HOH HOH B . 
J 4 HOH 9   309 334 HOH HOH B . 
J 4 HOH 10  310 212 HOH HOH B . 
J 4 HOH 11  311 224 HOH HOH B . 
J 4 HOH 12  312 194 HOH HOH B . 
J 4 HOH 13  313 3   HOH HOH B . 
J 4 HOH 14  314 1   HOH HOH B . 
J 4 HOH 15  315 181 HOH HOH B . 
J 4 HOH 16  316 188 HOH HOH B . 
J 4 HOH 17  317 164 HOH HOH B . 
J 4 HOH 18  318 288 HOH HOH B . 
J 4 HOH 19  319 96  HOH HOH B . 
J 4 HOH 20  320 309 HOH HOH B . 
J 4 HOH 21  321 95  HOH HOH B . 
J 4 HOH 22  322 6   HOH HOH B . 
J 4 HOH 23  323 167 HOH HOH B . 
J 4 HOH 24  324 209 HOH HOH B . 
J 4 HOH 25  325 211 HOH HOH B . 
J 4 HOH 26  326 50  HOH HOH B . 
J 4 HOH 27  327 213 HOH HOH B . 
J 4 HOH 28  328 247 HOH HOH B . 
J 4 HOH 29  329 79  HOH HOH B . 
J 4 HOH 30  330 4   HOH HOH B . 
J 4 HOH 31  331 174 HOH HOH B . 
J 4 HOH 32  332 214 HOH HOH B . 
J 4 HOH 33  333 41  HOH HOH B . 
J 4 HOH 34  334 67  HOH HOH B . 
J 4 HOH 35  335 254 HOH HOH B . 
J 4 HOH 36  336 111 HOH HOH B . 
J 4 HOH 37  337 87  HOH HOH B . 
J 4 HOH 38  338 36  HOH HOH B . 
J 4 HOH 39  339 58  HOH HOH B . 
J 4 HOH 40  340 179 HOH HOH B . 
J 4 HOH 41  341 148 HOH HOH B . 
J 4 HOH 42  342 234 HOH HOH B . 
J 4 HOH 43  343 21  HOH HOH B . 
J 4 HOH 44  344 275 HOH HOH B . 
J 4 HOH 45  345 300 HOH HOH B . 
J 4 HOH 46  346 28  HOH HOH B . 
J 4 HOH 47  347 37  HOH HOH B . 
J 4 HOH 48  348 226 HOH HOH B . 
J 4 HOH 49  349 266 HOH HOH B . 
J 4 HOH 50  350 65  HOH HOH B . 
J 4 HOH 51  351 33  HOH HOH B . 
J 4 HOH 52  352 215 HOH HOH B . 
J 4 HOH 53  353 210 HOH HOH B . 
J 4 HOH 54  354 132 HOH HOH B . 
J 4 HOH 55  355 116 HOH HOH B . 
J 4 HOH 56  356 193 HOH HOH B . 
J 4 HOH 57  357 265 HOH HOH B . 
J 4 HOH 58  358 314 HOH HOH B . 
J 4 HOH 59  359 38  HOH HOH B . 
J 4 HOH 60  360 138 HOH HOH B . 
J 4 HOH 61  361 31  HOH HOH B . 
J 4 HOH 62  362 17  HOH HOH B . 
J 4 HOH 63  363 355 HOH HOH B . 
J 4 HOH 64  364 84  HOH HOH B . 
J 4 HOH 65  365 18  HOH HOH B . 
J 4 HOH 66  366 145 HOH HOH B . 
J 4 HOH 67  367 203 HOH HOH B . 
J 4 HOH 68  368 77  HOH HOH B . 
J 4 HOH 69  369 47  HOH HOH B . 
J 4 HOH 70  370 180 HOH HOH B . 
J 4 HOH 71  371 2   HOH HOH B . 
J 4 HOH 72  372 78  HOH HOH B . 
J 4 HOH 73  373 110 HOH HOH B . 
J 4 HOH 74  374 391 HOH HOH B . 
J 4 HOH 75  375 190 HOH HOH B . 
J 4 HOH 76  376 115 HOH HOH B . 
J 4 HOH 77  377 14  HOH HOH B . 
J 4 HOH 78  378 15  HOH HOH B . 
J 4 HOH 79  379 192 HOH HOH B . 
J 4 HOH 80  380 302 HOH HOH B . 
J 4 HOH 81  381 340 HOH HOH B . 
J 4 HOH 82  382 9   HOH HOH B . 
J 4 HOH 83  383 72  HOH HOH B . 
J 4 HOH 84  384 119 HOH HOH B . 
J 4 HOH 85  385 25  HOH HOH B . 
J 4 HOH 86  386 57  HOH HOH B . 
J 4 HOH 87  387 52  HOH HOH B . 
J 4 HOH 88  388 319 HOH HOH B . 
J 4 HOH 89  389 381 HOH HOH B . 
J 4 HOH 90  390 151 HOH HOH B . 
J 4 HOH 91  391 292 HOH HOH B . 
J 4 HOH 92  392 139 HOH HOH B . 
J 4 HOH 93  393 150 HOH HOH B . 
J 4 HOH 94  394 20  HOH HOH B . 
J 4 HOH 95  395 184 HOH HOH B . 
J 4 HOH 96  396 187 HOH HOH B . 
J 4 HOH 97  397 126 HOH HOH B . 
J 4 HOH 98  398 306 HOH HOH B . 
J 4 HOH 99  399 101 HOH HOH B . 
J 4 HOH 100 400 296 HOH HOH B . 
J 4 HOH 101 401 195 HOH HOH B . 
J 4 HOH 102 402 114 HOH HOH B . 
J 4 HOH 103 403 308 HOH HOH B . 
J 4 HOH 104 404 197 HOH HOH B . 
J 4 HOH 105 405 109 HOH HOH B . 
J 4 HOH 106 406 112 HOH HOH B . 
J 4 HOH 107 407 227 HOH HOH B . 
J 4 HOH 108 408 219 HOH HOH B . 
J 4 HOH 109 409 342 HOH HOH B . 
J 4 HOH 110 410 318 HOH HOH B . 
J 4 HOH 111 411 170 HOH HOH B . 
J 4 HOH 112 412 239 HOH HOH B . 
J 4 HOH 113 413 307 HOH HOH B . 
J 4 HOH 114 414 345 HOH HOH B . 
J 4 HOH 115 415 175 HOH HOH B . 
J 4 HOH 116 416 344 HOH HOH B . 
J 4 HOH 117 417 331 HOH HOH B . 
J 4 HOH 118 418 329 HOH HOH B . 
J 4 HOH 119 419 44  HOH HOH B . 
J 4 HOH 120 420 228 HOH HOH B . 
J 4 HOH 121 421 130 HOH HOH B . 
J 4 HOH 122 422 129 HOH HOH B . 
J 4 HOH 123 423 365 HOH HOH B . 
J 4 HOH 124 424 352 HOH HOH B . 
J 4 HOH 125 425 233 HOH HOH B . 
J 4 HOH 126 426 208 HOH HOH B . 
J 4 HOH 127 427 236 HOH HOH B . 
J 4 HOH 128 428 161 HOH HOH B . 
J 4 HOH 129 429 35  HOH HOH B . 
J 4 HOH 130 430 200 HOH HOH B . 
J 4 HOH 131 431 286 HOH HOH B . 
J 4 HOH 132 432 341 HOH HOH B . 
J 4 HOH 133 433 207 HOH HOH B . 
J 4 HOH 134 434 248 HOH HOH B . 
J 4 HOH 135 435 149 HOH HOH B . 
J 4 HOH 136 436 346 HOH HOH B . 
J 4 HOH 137 437 353 HOH HOH B . 
J 4 HOH 138 438 315 HOH HOH B . 
J 4 HOH 139 439 156 HOH HOH B . 
J 4 HOH 140 440 305 HOH HOH B . 
J 4 HOH 141 441 62  HOH HOH B . 
J 4 HOH 142 442 91  HOH HOH B . 
J 4 HOH 143 443 354 HOH HOH B . 
J 4 HOH 144 444 390 HOH HOH B . 
J 4 HOH 145 445 173 HOH HOH B . 
J 4 HOH 146 446 338 HOH HOH B . 
J 4 HOH 147 447 386 HOH HOH B . 
J 4 HOH 148 448 369 HOH HOH B . 
J 4 HOH 149 449 202 HOH HOH B . 
J 4 HOH 150 450 324 HOH HOH B . 
J 4 HOH 151 451 162 HOH HOH B . 
J 4 HOH 152 452 321 HOH HOH B . 
J 4 HOH 153 453 328 HOH HOH B . 
J 4 HOH 154 454 146 HOH HOH B . 
J 4 HOH 155 455 199 HOH HOH B . 
J 4 HOH 156 456 278 HOH HOH B . 
J 4 HOH 157 457 221 HOH HOH B . 
J 4 HOH 158 458 172 HOH HOH B . 
J 4 HOH 159 459 185 HOH HOH B . 
J 4 HOH 160 460 283 HOH HOH B . 
J 4 HOH 161 461 177 HOH HOH B . 
J 4 HOH 162 462 143 HOH HOH B . 
J 4 HOH 163 463 176 HOH HOH B . 
J 4 HOH 164 464 92  HOH HOH B . 
J 4 HOH 165 465 383 HOH HOH B . 
J 4 HOH 166 466 337 HOH HOH B . 
J 4 HOH 167 467 152 HOH HOH B . 
J 4 HOH 168 468 127 HOH HOH B . 
J 4 HOH 169 469 385 HOH HOH B . 
J 4 HOH 170 470 46  HOH HOH B . 
J 4 HOH 171 471 330 HOH HOH B . 
J 4 HOH 172 472 147 HOH HOH B . 
J 4 HOH 173 473 347 HOH HOH B . 
J 4 HOH 174 474 120 HOH HOH B . 
J 4 HOH 175 475 113 HOH HOH B . 
J 4 HOH 176 476 223 HOH HOH B . 
J 4 HOH 177 477 241 HOH HOH B . 
J 4 HOH 178 478 157 HOH HOH B . 
J 4 HOH 179 479 131 HOH HOH B . 
J 4 HOH 180 480 225 HOH HOH B . 
J 4 HOH 181 481 294 HOH HOH B . 
J 4 HOH 182 482 291 HOH HOH B . 
J 4 HOH 183 483 137 HOH HOH B . 
J 4 HOH 184 484 204 HOH HOH B . 
J 4 HOH 185 485 154 HOH HOH B . 
J 4 HOH 186 486 124 HOH HOH B . 
J 4 HOH 187 487 304 HOH HOH B . 
J 4 HOH 188 488 361 HOH HOH B . 
J 4 HOH 189 489 343 HOH HOH B . 
J 4 HOH 190 490 335 HOH HOH B . 
J 4 HOH 191 491 83  HOH HOH B . 
J 4 HOH 192 492 140 HOH HOH B . 
J 4 HOH 193 493 205 HOH HOH B . 
J 4 HOH 194 494 252 HOH HOH B . 
J 4 HOH 195 495 220 HOH HOH B . 
J 4 HOH 196 496 53  HOH HOH B . 
J 4 HOH 197 497 287 HOH HOH B . 
J 4 HOH 198 498 242 HOH HOH B . 
J 4 HOH 199 499 327 HOH HOH B . 
J 4 HOH 200 500 229 HOH HOH B . 
J 4 HOH 201 501 279 HOH HOH B . 
J 4 HOH 202 502 358 HOH HOH B . 
J 4 HOH 203 503 373 HOH HOH B . 
J 4 HOH 204 504 336 HOH HOH B . 
J 4 HOH 205 505 370 HOH HOH B . 
J 4 HOH 206 506 384 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A GLU 21 ? CG  ? A GLU 1 CG  
2 1 Y 1 A GLU 21 ? CD  ? A GLU 1 CD  
3 1 Y 1 A GLU 21 ? OE1 ? A GLU 1 OE1 
4 1 Y 1 A GLU 21 ? OE2 ? A GLU 1 OE2 
5 1 Y 1 B GLU 24 ? CG  ? B GLU 4 CG  
6 1 Y 1 B GLU 24 ? CD  ? B GLU 4 CD  
7 1 Y 1 B GLU 24 ? OE1 ? B GLU 4 OE1 
8 1 Y 1 B GLU 24 ? OE2 ? B GLU 4 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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 4 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot     ? ? ? 0.9.8.92    5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9AYN 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     51.493 
_cell.length_a_esd                 ? 
_cell.length_b                     52.262 
_cell.length_b_esd                 ? 
_cell.length_c                     54.641 
_cell.length_c_esd                 ? 
_cell.volume                       147045.879 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9AYN 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            'P 2ac 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9AYN 
_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             2.04 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.63 
_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              7.5 
_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    
;0.1 M HEPES pH 7.5, 12% PEG3350, 5 mM NiCl2

cryoprotected in 0.1 M HEPES pH 7.5, 40% PEG3350, 5 mM NiCl2
;
_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 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         2018-05-25 
_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   0.97741 
_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                        'ALS BEAMLINE 5.0.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97741 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.1 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          10.06 
_reflns.entry_id                                       9AYN 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              0.97 
_reflns.d_resolution_low                               27.32 
_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                                     87769 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          60.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                0.036 
_reflns.pdbx_Rpim_I_all                                0.014 
_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                              0.029 
_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                        ? 
# 
_reflns_shell.d_res_high                                    0.97 
_reflns_shell.d_res_low                                     0.99 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           9.71 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4327 
_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                               5.2 
_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                               0.760 
_reflns_shell.pdbx_Rpim_I_all                               0.327 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.8 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.5 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.683 
_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               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               19.28 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9AYN 
_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                            0.97 
_refine.ls_d_res_low                             27.32 
_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                     87769 
_refine.ls_number_reflns_R_free                  4365 
_refine.ls_number_reflns_R_work                  83404 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 4.97 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1195 
_refine.ls_R_factor_R_free                       0.1390 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1185 
_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                    'FLAT BULK SOLVENT MODEL' 
_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                          1.34 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 11.8747 
_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                             ? 
_refine.overall_SU_ML                            0.0951 
_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                       0.97 
_refine_hist.d_res_low                        27.32 
_refine_hist.number_atoms_solvent             384 
_refine_hist.number_atoms_total               1628 
_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        1238 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         6 
_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' ? 0.0080  ? 1349 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9764  ? 1854 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0720  ? 206  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0088  ? 235  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.4347 ? 504  ? f_dihedral_angle_d ? ? 
# 
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' 0.97 0.98  . . 152 2648 97.83  . . . . 0.2850 . . . . . . . . . . . 0.3089 
'X-RAY DIFFRACTION' 0.98 0.99  . . 135 2797 99.90  . . . . 0.2470 . . . . . . . . . . . 0.2422 
'X-RAY DIFFRACTION' 0.99 1.00  . . 155 2726 99.97  . . . . 0.2187 . . . . . . . . . . . 0.2196 
'X-RAY DIFFRACTION' 1.00 1.02  . . 147 2732 99.86  . . . . 0.1886 . . . . . . . . . . . 0.1851 
'X-RAY DIFFRACTION' 1.02 1.03  . . 143 2778 100.00 . . . . 0.1676 . . . . . . . . . . . 0.1795 
'X-RAY DIFFRACTION' 1.03 1.04  . . 143 2743 100.00 . . . . 0.1487 . . . . . . . . . . . 0.1641 
'X-RAY DIFFRACTION' 1.04 1.06  . . 143 2723 100.00 . . . . 0.1402 . . . . . . . . . . . 0.1462 
'X-RAY DIFFRACTION' 1.06 1.08  . . 136 2772 99.93  . . . . 0.1280 . . . . . . . . . . . 0.1410 
'X-RAY DIFFRACTION' 1.08 1.09  . . 149 2775 100.00 . . . . 0.1175 . . . . . . . . . . . 0.1318 
'X-RAY DIFFRACTION' 1.09 1.11  . . 138 2759 100.00 . . . . 0.1149 . . . . . . . . . . . 0.1430 
'X-RAY DIFFRACTION' 1.11 1.13  . . 154 2743 99.97  . . . . 0.1081 . . . . . . . . . . . 0.1330 
'X-RAY DIFFRACTION' 1.13 1.15  . . 148 2720 100.00 . . . . 0.1115 . . . . . . . . . . . 0.1283 
'X-RAY DIFFRACTION' 1.15 1.17  . . 154 2763 99.97  . . . . 0.1185 . . . . . . . . . . . 0.1538 
'X-RAY DIFFRACTION' 1.17 1.20  . . 143 2778 100.00 . . . . 0.1216 . . . . . . . . . . . 0.1390 
'X-RAY DIFFRACTION' 1.20 1.22  . . 160 2751 100.00 . . . . 0.1175 . . . . . . . . . . . 0.1505 
'X-RAY DIFFRACTION' 1.22 1.25  . . 155 2752 100.00 . . . . 0.1139 . . . . . . . . . . . 0.1298 
'X-RAY DIFFRACTION' 1.25 1.28  . . 143 2772 100.00 . . . . 0.1127 . . . . . . . . . . . 0.1299 
'X-RAY DIFFRACTION' 1.28 1.32  . . 148 2762 100.00 . . . . 0.1081 . . . . . . . . . . . 0.1181 
'X-RAY DIFFRACTION' 1.32 1.35  . . 146 2795 100.00 . . . . 0.1114 . . . . . . . . . . . 0.1453 
'X-RAY DIFFRACTION' 1.35 1.40  . . 157 2737 100.00 . . . . 0.1127 . . . . . . . . . . . 0.1228 
'X-RAY DIFFRACTION' 1.40 1.45  . . 147 2801 100.00 . . . . 0.1194 . . . . . . . . . . . 0.1324 
'X-RAY DIFFRACTION' 1.45 1.51  . . 154 2762 99.97  . . . . 0.1097 . . . . . . . . . . . 0.1292 
'X-RAY DIFFRACTION' 1.51 1.58  . . 129 2823 100.00 . . . . 0.1079 . . . . . . . . . . . 0.1215 
'X-RAY DIFFRACTION' 1.58 1.66  . . 124 2813 100.00 . . . . 0.1110 . . . . . . . . . . . 0.1153 
'X-RAY DIFFRACTION' 1.66 1.76  . . 162 2785 100.00 . . . . 0.1138 . . . . . . . . . . . 0.1136 
'X-RAY DIFFRACTION' 1.76 1.90  . . 144 2806 99.97  . . . . 0.1256 . . . . . . . . . . . 0.1322 
'X-RAY DIFFRACTION' 1.90 2.09  . . 116 2873 100.00 . . . . 0.1169 . . . . . . . . . . . 0.1415 
'X-RAY DIFFRACTION' 2.09 2.39  . . 151 2827 99.97  . . . . 0.1146 . . . . . . . . . . . 0.1313 
'X-RAY DIFFRACTION' 2.39 3.01  . . 123 2901 99.93  . . . . 0.1158 . . . . . . . . . . . 0.1690 
'X-RAY DIFFRACTION' 3.01 27.32 . . 166 2987 99.84  . . . . 0.1107 . . . . . . . . . . . 0.1347 
# 
_struct.entry_id                     9AYN 
_struct.title                        'Mycolicibacterium smegmatis ClpS with bound Ni2+' 
_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        9AYN 
_struct_keywords.text            'proteolysis, adaptor, PROTEIN BINDING' 
_struct_keywords.pdbx_keywords   'PROTEIN BINDING' 
# 
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 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 4 ? 
J N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0R1X7_MYCS2 
_struct_ref.pdbx_db_accession          A0R1X7 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ESTEAPWVTIVWDDPVNLMSYVTYVFQKLFGYSEPHATKLMLQVHNEGKAVVSAGSRESMEVDVSKLHAAGLWATMQQDR

;
_struct_ref.pdbx_align_begin           21 
# 
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 9AYN A 1 ? 80 ? A0R1X7 21 ? 100 ? 21 100 
2 1 9AYN B 1 ? 80 ? A0R1X7 21 ? 100 ? 21 100 
# 
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,D,E,I 
2 1 B,F,G,H,J 
# 
loop_
_pdbx_struct_assembly_auth_evidence.id 
_pdbx_struct_assembly_auth_evidence.assembly_id 
_pdbx_struct_assembly_auth_evidence.experimental_support 
_pdbx_struct_assembly_auth_evidence.details 
1 1 'gel filtration' ? 
2 2 'gel filtration' ? 
# 
_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 LEU A 18 ? GLY A 31 ? LEU A 38 GLY A 51 1 ? 14 
HELX_P HELX_P2 AA2 SER A 33 ? GLY A 48 ? SER A 53 GLY A 68 1 ? 16 
HELX_P HELX_P3 AA3 SER A 56 ? ALA A 70 ? SER A 76 ALA A 90 1 ? 15 
HELX_P HELX_P4 AA4 LEU B 18 ? GLY B 31 ? LEU B 38 GLY B 51 1 ? 14 
HELX_P HELX_P5 AA5 SER B 33 ? GLY B 48 ? SER B 53 GLY B 68 1 ? 16 
HELX_P HELX_P6 AA6 SER B 56 ? ALA B 70 ? SER B 76 ALA B 90 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A GLU 1  N   ? ? ? 1_555 D NI  .  NI  A ? A GLU 21  A NI  202 4_546 ? ? ? ? ? ? ? 2.311 ? ? 
metalc2  metalc ? ? A GLU 1  O   ? ? ? 1_555 D NI  .  NI  A ? A GLU 21  A NI  202 4_546 ? ? ? ? ? ? ? 1.998 ? ? 
metalc3  metalc ? ? A GLU 1  O   ? ? ? 1_555 D NI  .  NI  B ? A GLU 21  A NI  202 4_546 ? ? ? ? ? ? ? 2.436 ? ? 
metalc4  metalc ? ? A TRP 12 O   ? ? ? 1_555 E MG  .  MG  ? ? A TRP 32  A MG  203 1_555 ? ? ? ? ? ? ? 2.815 ? ? 
metalc5  metalc ? ? A ASP 14 OD2 ? ? ? 1_555 E MG  .  MG  ? ? A ASP 34  A MG  203 1_555 ? ? ? ? ? ? ? 2.750 ? ? 
metalc6  metalc ? ? A HIS 45 ND1 B ? ? 1_555 D NI  .  NI  B ? A HIS 65  A NI  202 1_555 ? ? ? ? ? ? ? 2.138 ? ? 
metalc7  metalc ? ? A HIS 45 NE2 A ? ? 1_555 D NI  .  NI  A ? A HIS 65  A NI  202 1_555 ? ? ? ? ? ? ? 2.346 ? ? 
metalc8  metalc ? ? A HIS 68 ND1 ? ? ? 1_555 F NI  .  NI  ? ? A HIS 88  B NI  201 4_546 ? ? ? ? ? ? ? 2.086 ? ? 
metalc9  metalc ? ? A ASP 79 OD1 ? ? ? 1_555 C NI  .  NI  ? ? A ASP 99  A NI  201 1_555 ? ? ? ? ? ? ? 1.975 ? ? 
metalc10 metalc ? ? C NI  .  NI  ? ? ? 1_555 I HOH .  O   ? ? A NI  201 A HOH 311 1_555 ? ? ? ? ? ? ? 1.991 ? ? 
metalc11 metalc ? ? C NI  .  NI  ? ? ? 1_555 I HOH .  O   ? ? A NI  201 A HOH 322 1_555 ? ? ? ? ? ? ? 2.113 ? ? 
metalc12 metalc ? ? C NI  .  NI  ? ? ? 1_555 B ASP 79 OD1 ? ? A NI  201 B ASP 99  1_555 ? ? ? ? ? ? ? 1.987 ? ? 
metalc13 metalc ? ? C NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? A NI  201 B HOH 322 1_555 ? ? ? ? ? ? ? 1.979 ? ? 
metalc14 metalc ? ? C NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? A NI  201 B HOH 360 1_555 ? ? ? ? ? ? ? 2.110 ? ? 
metalc15 metalc ? ? D NI  .  NI  B ? ? 1_555 I HOH .  O   ? ? A NI  202 A HOH 316 1_555 ? ? ? ? ? ? ? 2.187 ? ? 
metalc16 metalc ? ? D NI  .  NI  A ? ? 1_555 I HOH .  O   ? ? A NI  202 A HOH 350 1_555 ? ? ? ? ? ? ? 2.068 ? ? 
metalc17 metalc ? ? D NI  .  NI  B ? ? 1_555 I HOH .  O   ? ? A NI  202 A HOH 350 1_555 ? ? ? ? ? ? ? 2.551 ? ? 
metalc18 metalc ? ? D NI  .  NI  A ? ? 1_555 I HOH .  O   ? ? A NI  202 A HOH 366 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
metalc19 metalc ? ? D NI  .  NI  A ? ? 1_555 I HOH .  O   ? ? A NI  202 A HOH 439 1_555 ? ? ? ? ? ? ? 2.050 ? ? 
metalc20 metalc ? ? B ASP 14 OD2 ? ? ? 1_555 H MG  .  MG  ? ? B ASP 34  B MG  203 1_555 ? ? ? ? ? ? ? 2.755 ? ? 
metalc21 metalc ? ? B HIS 45 NE2 ? ? ? 1_555 G NI  .  NI  ? ? B HIS 65  B NI  202 1_555 ? ? ? ? ? ? ? 2.113 ? ? 
metalc22 metalc ? ? B GLU 58 OE1 ? ? ? 1_555 F NI  .  NI  ? ? B GLU 78  B NI  201 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
metalc23 metalc ? ? B GLU 61 OE1 ? ? ? 1_555 F NI  .  NI  ? ? B GLU 81  B NI  201 1_555 ? ? ? ? ? ? ? 2.064 ? ? 
metalc24 metalc ? ? B GLY 71 O   ? ? ? 1_555 H MG  .  MG  ? ? B GLY 91  B MG  203 1_555 ? ? ? ? ? ? ? 2.756 ? ? 
metalc25 metalc ? ? F NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  201 B HOH 313 1_555 ? ? ? ? ? ? ? 2.092 ? ? 
metalc26 metalc ? ? F NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  201 B HOH 314 1_555 ? ? ? ? ? ? ? 2.084 ? ? 
metalc27 metalc ? ? F NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  201 B HOH 371 1_555 ? ? ? ? ? ? ? 2.086 ? ? 
metalc28 metalc ? ? G NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  202 B HOH 398 1_555 ? ? ? ? ? ? ? 2.193 ? ? 
metalc29 metalc ? ? G NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  202 B HOH 424 1_555 ? ? ? ? ? ? ? 2.622 ? ? 
metalc30 metalc ? ? G NI  .  NI  ? ? ? 1_555 J HOH .  O   ? ? B NI  202 B HOH 490 1_555 ? ? ? ? ? ? ? 2.707 ? ? 
metalc31 metalc ? ? H MG  .  MG  ? ? ? 1_555 J HOH .  O   ? ? B MG  203 B HOH 359 1_555 ? ? ? ? ? ? ? 2.889 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  N   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? A GLU 1  ? A GLU 21  ? 1_555 77.5  ? 
2  N   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 NE2 A A HIS 45 ? A HIS 65  ? 1_555 84.9  ? 
3  O   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 NE2 A A HIS 45 ? A HIS 65  ? 1_555 74.4  ? 
4  N   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 86.7  ? 
5  O   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 79.4  ? 
6  NE2 A A HIS 45 ? A HIS 65  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 5.0   ? 
7  N   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 366 ? 1_555 89.1  ? 
8  O   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 366 ? 1_555 76.4  ? 
9  NE2 A A HIS 45 ? A HIS 65  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 366 ? 1_555 4.4   ? 
10 O   ? I HOH .  ? A HOH 350 ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 366 ? 1_555 4.3   ? 
11 N   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 439 ? 1_555 89.6  ? 
12 O   ? A GLU 1  ? A GLU 21  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 439 ? 1_555 79.5  ? 
13 NE2 A A HIS 45 ? A HIS 65  ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 439 ? 1_555 6.2   ? 
14 O   ? I HOH .  ? A HOH 350 ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 439 ? 1_555 2.9   ? 
15 O   ? I HOH .  ? A HOH 366 ? 1_555 NI A D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 439 ? 1_555 3.1   ? 
16 O   ? A GLU 1  ? A GLU 21  ? 1_555 NI B D NI . ? A NI 202 ? 4_546 ND1 B A HIS 45 ? A HIS 65  ? 1_555 117.9 ? 
17 O   ? A GLU 1  ? A GLU 21  ? 1_555 NI B D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 316 ? 1_555 122.1 ? 
18 ND1 B A HIS 45 ? A HIS 65  ? 1_555 NI B D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 316 ? 1_555 4.2   ? 
19 O   ? A GLU 1  ? A GLU 21  ? 1_555 NI B D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 124.6 ? 
20 ND1 B A HIS 45 ? A HIS 65  ? 1_555 NI B D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 6.9   ? 
21 O   ? I HOH .  ? A HOH 316 ? 1_555 NI B D NI . ? A NI 202 ? 4_546 O   ? I HOH .  ? A HOH 350 ? 1_555 3.2   ? 
22 O   ? A TRP 12 ? A TRP 32  ? 1_555 MG ? E MG . ? A MG 203 ? 1_555 OD2 ? A ASP 14 ? A ASP 34  ? 1_555 106.3 ? 
23 ND1 ? A HIS 68 ? A HIS 88  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 OE1 ? B GLU 58 ? B GLU 78  ? 1_555 15.8  ? 
24 ND1 ? A HIS 68 ? A HIS 88  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 OE1 ? B GLU 61 ? B GLU 81  ? 1_555 18.7  ? 
25 OE1 ? B GLU 58 ? B GLU 78  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 OE1 ? B GLU 61 ? B GLU 81  ? 1_555 4.1   ? 
26 ND1 ? A HIS 68 ? A HIS 88  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 313 ? 1_555 19.3  ? 
27 OE1 ? B GLU 58 ? B GLU 78  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 313 ? 1_555 3.7   ? 
28 OE1 ? B GLU 61 ? B GLU 81  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 313 ? 1_555 4.4   ? 
29 ND1 ? A HIS 68 ? A HIS 88  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 314 ? 1_555 15.6  ? 
30 OE1 ? B GLU 58 ? B GLU 78  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 314 ? 1_555 1.5   ? 
31 OE1 ? B GLU 61 ? B GLU 81  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 314 ? 1_555 5.4   ? 
32 O   ? J HOH .  ? B HOH 313 ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 314 ? 1_555 3.8   ? 
33 ND1 ? A HIS 68 ? A HIS 88  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 371 ? 1_555 18.4  ? 
34 OE1 ? B GLU 58 ? B GLU 78  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 371 ? 1_555 3.0   ? 
35 OE1 ? B GLU 61 ? B GLU 81  ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 371 ? 1_555 1.5   ? 
36 O   ? J HOH .  ? B HOH 313 ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 371 ? 1_555 3.0   ? 
37 O   ? J HOH .  ? B HOH 314 ? 1_555 NI ? F NI . ? B NI 201 ? 4_546 O   ? J HOH .  ? B HOH 371 ? 1_555 4.2   ? 
38 OD1 ? A ASP 79 ? A ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? I HOH .  ? A HOH 311 ? 1_555 91.1  ? 
39 OD1 ? A ASP 79 ? A ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? I HOH .  ? A HOH 322 ? 1_555 91.8  ? 
40 O   ? I HOH .  ? A HOH 311 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? I HOH .  ? A HOH 322 ? 1_555 90.4  ? 
41 OD1 ? A ASP 79 ? A ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 OD1 ? B ASP 79 ? B ASP 99  ? 1_555 173.0 ? 
42 O   ? I HOH .  ? A HOH 311 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 OD1 ? B ASP 79 ? B ASP 99  ? 1_555 83.7  ? 
43 O   ? I HOH .  ? A HOH 322 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 OD1 ? B ASP 79 ? B ASP 99  ? 1_555 92.8  ? 
44 OD1 ? A ASP 79 ? A ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 322 ? 1_555 92.0  ? 
45 O   ? I HOH .  ? A HOH 311 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 322 ? 1_555 176.4 ? 
46 O   ? I HOH .  ? A HOH 322 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 322 ? 1_555 91.3  ? 
47 OD1 ? B ASP 79 ? B ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 322 ? 1_555 93.1  ? 
48 OD1 ? A ASP 79 ? A ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 360 ? 1_555 88.4  ? 
49 O   ? I HOH .  ? A HOH 311 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 360 ? 1_555 88.5  ? 
50 O   ? I HOH .  ? A HOH 322 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 360 ? 1_555 178.9 ? 
51 OD1 ? B ASP 79 ? B ASP 99  ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 360 ? 1_555 86.9  ? 
52 O   ? J HOH .  ? B HOH 322 ? 1_555 NI ? C NI . ? A NI 201 ? 1_555 O   ? J HOH .  ? B HOH 360 ? 1_555 89.8  ? 
53 OD2 ? B ASP 14 ? B ASP 34  ? 1_555 MG ? H MG . ? B MG 203 ? 1_555 O   ? B GLY 71 ? B GLY 91  ? 1_555 120.0 ? 
54 OD2 ? B ASP 14 ? B ASP 34  ? 1_555 MG ? H MG . ? B MG 203 ? 1_555 O   ? J HOH .  ? B HOH 359 ? 1_555 125.2 ? 
55 O   ? B GLY 71 ? B GLY 91  ? 1_555 MG ? H MG . ? B MG 203 ? 1_555 O   ? J HOH .  ? B HOH 359 ? 1_555 114.8 ? 
56 NE2 ? B HIS 45 ? B HIS 65  ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 398 ? 1_555 100.3 ? 
57 NE2 ? B HIS 45 ? B HIS 65  ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 424 ? 1_555 87.0  ? 
58 O   ? J HOH .  ? B HOH 398 ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 424 ? 1_555 65.9  ? 
59 NE2 ? B HIS 45 ? B HIS 65  ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 490 ? 1_555 159.1 ? 
60 O   ? J HOH .  ? B HOH 398 ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 490 ? 1_555 91.2  ? 
61 O   ? J HOH .  ? B HOH 424 ? 1_555 NI ? G NI . ? B NI 202 ? 1_555 O   ? J HOH .  ? B HOH 490 ? 1_555 113.7 ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 3 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? 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 LYS A 49 ? GLY A 55 ? LYS A 69 GLY A 75 
AA1 2 TRP A 7  ? TRP A 12 ? TRP A 27 TRP A 32 
AA1 3 TRP A 73 ? GLN A 78 ? TRP A 93 GLN A 98 
AA2 1 LYS B 49 ? GLY B 55 ? LYS B 69 GLY B 75 
AA2 2 TRP B 7  ? TRP B 12 ? TRP B 27 TRP B 32 
AA2 3 TRP B 73 ? GLN B 78 ? TRP B 93 GLN B 98 
# 
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 O GLY A 55 ? O GLY A 75 N TRP A 7  ? N TRP A 27 
AA1 2 3 N ILE A 10 ? N ILE A 30 O THR A 75 ? O THR A 95 
AA2 1 2 O GLY B 55 ? O GLY B 75 N TRP B 7  ? N TRP B 27 
AA2 2 3 N ILE B 10 ? N ILE B 30 O THR B 75 ? O THR B 95 
# 
_pdbx_entry_details.entry_id                   9AYN 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 O B HOH 358 ? ? O B HOH 429 ? ? 2.06 
2  1 O B HOH 301 ? ? O B HOH 324 ? ? 2.06 
3  1 O B HOH 310 ? ? O B HOH 441 ? ? 2.07 
4  1 O B HOH 342 ? ? O B HOH 395 ? ? 2.08 
5  1 O B HOH 336 ? ? O B HOH 342 ? ? 2.08 
6  1 O A HOH 335 ? ? O A HOH 375 ? ? 2.09 
7  1 O A HOH 434 ? ? O B HOH 401 ? ? 2.10 
8  1 O B HOH 323 ? ? O B HOH 416 ? ? 2.11 
9  1 O B HOH 309 ? ? O B HOH 310 ? ? 2.11 
10 1 O A HOH 377 ? ? O A HOH 407 ? ? 2.12 
11 1 O A HOH 356 ? ? O B HOH 421 ? ? 2.12 
12 1 O A HOH 439 ? ? O A HOH 467 ? ? 2.12 
13 1 O A HOH 359 ? ? O A HOH 392 ? ? 2.12 
14 1 O B HOH 312 ? ? O B HOH 462 ? ? 2.13 
15 1 O A HOH 323 ? ? O A HOH 456 ? ? 2.13 
16 1 O B HOH 315 ? ? O B HOH 423 ? ? 2.14 
17 1 O B HOH 305 ? ? O B HOH 471 ? ? 2.15 
18 1 O B HOH 312 ? ? O B HOH 396 ? ? 2.15 
19 1 O B HOH 433 ? ? O B HOH 477 ? ? 2.15 
20 1 O B HOH 400 ? ? O B HOH 450 ? ? 2.15 
21 1 O A HOH 429 ? ? O A HOH 451 ? ? 2.17 
22 1 O B HOH 379 ? ? O B HOH 441 ? ? 2.17 
23 1 O A HOH 377 ? ? O A HOH 418 ? ? 2.17 
24 1 O B HOH 386 ? ? O B HOH 471 ? ? 2.18 
25 1 O B HOH 304 ? ? O B HOH 425 ? ? 2.18 
26 1 O A HOH 396 ? ? O A HOH 432 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 OE2 A GLU 78  ? ? 1_555 O B HOH 389 ? ? 3_555 2.09 
2 1 O   B HOH 457 ? ? 1_555 O B HOH 472 ? ? 3_545 2.09 
3 1 O   A HOH 466 ? ? 1_555 O B HOH 357 ? ? 3_555 2.13 
4 1 O   A HOH 398 ? ? 1_555 O A HOH 476 ? ? 4_546 2.13 
5 1 O   A HOH 449 ? ? 1_555 O B HOH 423 ? ? 4_546 2.14 
6 1 O   A HOH 476 ? ? 1_555 O B HOH 437 ? ? 4_446 2.15 
7 1 O   A HOH 427 ? ? 1_555 O B HOH 480 ? ? 3_555 2.15 
8 1 O   A HOH 392 ? ? 1_555 O B HOH 302 ? ? 2_455 2.17 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1  1 O ? A HOH 474 ? 5.81 . 
2  1 O ? A HOH 475 ? 5.92 . 
3  1 O ? A HOH 476 ? 6.13 . 
4  1 O ? A HOH 477 ? 6.29 . 
5  1 O ? A HOH 478 ? 7.63 . 
6  1 O ? B HOH 501 ? 5.81 . 
7  1 O ? B HOH 502 ? 6.44 . 
8  1 O ? B HOH 503 ? 6.46 . 
9  1 O ? B HOH 504 ? 6.48 . 
10 1 O ? B HOH 505 ? 7.13 . 
11 1 O ? B HOH 506 ? 7.71 . 
# 
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 GLU 21 ? B GLU 1 
2 1 Y 1 B SER 22 ? B SER 2 
3 1 Y 1 B THR 23 ? B THR 3 
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
GLN N    N  N N 74  
GLN CA   C  N S 75  
GLN C    C  N N 76  
GLN O    O  N N 77  
GLN CB   C  N N 78  
GLN CG   C  N N 79  
GLN CD   C  N N 80  
GLN OE1  O  N N 81  
GLN NE2  N  N N 82  
GLN OXT  O  N N 83  
GLN H    H  N N 84  
GLN H2   H  N N 85  
GLN HA   H  N N 86  
GLN HB2  H  N N 87  
GLN HB3  H  N N 88  
GLN HG2  H  N N 89  
GLN HG3  H  N N 90  
GLN HE21 H  N N 91  
GLN HE22 H  N N 92  
GLN HXT  H  N N 93  
GLU N    N  N N 94  
GLU CA   C  N S 95  
GLU C    C  N N 96  
GLU O    O  N N 97  
GLU CB   C  N N 98  
GLU CG   C  N N 99  
GLU CD   C  N N 100 
GLU OE1  O  N N 101 
GLU OE2  O  N N 102 
GLU OXT  O  N N 103 
GLU H    H  N N 104 
GLU H2   H  N N 105 
GLU HA   H  N N 106 
GLU HB2  H  N N 107 
GLU HB3  H  N N 108 
GLU HG2  H  N N 109 
GLU HG3  H  N N 110 
GLU HE2  H  N N 111 
GLU HXT  H  N N 112 
GLY N    N  N N 113 
GLY CA   C  N N 114 
GLY C    C  N N 115 
GLY O    O  N N 116 
GLY OXT  O  N N 117 
GLY H    H  N N 118 
GLY H2   H  N N 119 
GLY HA2  H  N N 120 
GLY HA3  H  N N 121 
GLY HXT  H  N N 122 
HIS N    N  N N 123 
HIS CA   C  N S 124 
HIS C    C  N N 125 
HIS O    O  N N 126 
HIS CB   C  N N 127 
HIS CG   C  Y N 128 
HIS ND1  N  Y N 129 
HIS CD2  C  Y N 130 
HIS CE1  C  Y N 131 
HIS NE2  N  Y N 132 
HIS OXT  O  N N 133 
HIS H    H  N N 134 
HIS H2   H  N N 135 
HIS HA   H  N N 136 
HIS HB2  H  N N 137 
HIS HB3  H  N N 138 
HIS HD1  H  N N 139 
HIS HD2  H  N N 140 
HIS HE1  H  N N 141 
HIS HE2  H  N N 142 
HIS HXT  H  N N 143 
HOH O    O  N N 144 
HOH H1   H  N N 145 
HOH H2   H  N N 146 
ILE N    N  N N 147 
ILE CA   C  N S 148 
ILE C    C  N N 149 
ILE O    O  N N 150 
ILE CB   C  N S 151 
ILE CG1  C  N N 152 
ILE CG2  C  N N 153 
ILE CD1  C  N N 154 
ILE OXT  O  N N 155 
ILE H    H  N N 156 
ILE H2   H  N N 157 
ILE HA   H  N N 158 
ILE HB   H  N N 159 
ILE HG12 H  N N 160 
ILE HG13 H  N N 161 
ILE HG21 H  N N 162 
ILE HG22 H  N N 163 
ILE HG23 H  N N 164 
ILE HD11 H  N N 165 
ILE HD12 H  N N 166 
ILE HD13 H  N N 167 
ILE HXT  H  N N 168 
LEU N    N  N N 169 
LEU CA   C  N S 170 
LEU C    C  N N 171 
LEU O    O  N N 172 
LEU CB   C  N N 173 
LEU CG   C  N N 174 
LEU CD1  C  N N 175 
LEU CD2  C  N N 176 
LEU OXT  O  N N 177 
LEU H    H  N N 178 
LEU H2   H  N N 179 
LEU HA   H  N N 180 
LEU HB2  H  N N 181 
LEU HB3  H  N N 182 
LEU HG   H  N N 183 
LEU HD11 H  N N 184 
LEU HD12 H  N N 185 
LEU HD13 H  N N 186 
LEU HD21 H  N N 187 
LEU HD22 H  N N 188 
LEU HD23 H  N N 189 
LEU HXT  H  N N 190 
LYS N    N  N N 191 
LYS CA   C  N S 192 
LYS C    C  N N 193 
LYS O    O  N N 194 
LYS CB   C  N N 195 
LYS CG   C  N N 196 
LYS CD   C  N N 197 
LYS CE   C  N N 198 
LYS NZ   N  N N 199 
LYS OXT  O  N N 200 
LYS H    H  N N 201 
LYS H2   H  N N 202 
LYS HA   H  N N 203 
LYS HB2  H  N N 204 
LYS HB3  H  N N 205 
LYS HG2  H  N N 206 
LYS HG3  H  N N 207 
LYS HD2  H  N N 208 
LYS HD3  H  N N 209 
LYS HE2  H  N N 210 
LYS HE3  H  N N 211 
LYS HZ1  H  N N 212 
LYS HZ2  H  N N 213 
LYS HZ3  H  N N 214 
LYS HXT  H  N N 215 
MET N    N  N N 216 
MET CA   C  N S 217 
MET C    C  N N 218 
MET O    O  N N 219 
MET CB   C  N N 220 
MET CG   C  N N 221 
MET SD   S  N N 222 
MET CE   C  N N 223 
MET OXT  O  N N 224 
MET H    H  N N 225 
MET H2   H  N N 226 
MET HA   H  N N 227 
MET HB2  H  N N 228 
MET HB3  H  N N 229 
MET HG2  H  N N 230 
MET HG3  H  N N 231 
MET HE1  H  N N 232 
MET HE2  H  N N 233 
MET HE3  H  N N 234 
MET HXT  H  N N 235 
MG  MG   MG N N 236 
NI  NI   NI N N 237 
PHE N    N  N N 238 
PHE CA   C  N S 239 
PHE C    C  N N 240 
PHE O    O  N N 241 
PHE CB   C  N N 242 
PHE CG   C  Y N 243 
PHE CD1  C  Y N 244 
PHE CD2  C  Y N 245 
PHE CE1  C  Y N 246 
PHE CE2  C  Y N 247 
PHE CZ   C  Y N 248 
PHE OXT  O  N N 249 
PHE H    H  N N 250 
PHE H2   H  N N 251 
PHE HA   H  N N 252 
PHE HB2  H  N N 253 
PHE HB3  H  N N 254 
PHE HD1  H  N N 255 
PHE HD2  H  N N 256 
PHE HE1  H  N N 257 
PHE HE2  H  N N 258 
PHE HZ   H  N N 259 
PHE HXT  H  N N 260 
PRO N    N  N N 261 
PRO CA   C  N S 262 
PRO C    C  N N 263 
PRO O    O  N N 264 
PRO CB   C  N N 265 
PRO CG   C  N N 266 
PRO CD   C  N N 267 
PRO OXT  O  N N 268 
PRO H    H  N N 269 
PRO HA   H  N N 270 
PRO HB2  H  N N 271 
PRO HB3  H  N N 272 
PRO HG2  H  N N 273 
PRO HG3  H  N N 274 
PRO HD2  H  N N 275 
PRO HD3  H  N N 276 
PRO HXT  H  N N 277 
SER N    N  N N 278 
SER CA   C  N S 279 
SER C    C  N N 280 
SER O    O  N N 281 
SER CB   C  N N 282 
SER OG   O  N N 283 
SER OXT  O  N N 284 
SER H    H  N N 285 
SER H2   H  N N 286 
SER HA   H  N N 287 
SER HB2  H  N N 288 
SER HB3  H  N N 289 
SER HG   H  N N 290 
SER HXT  H  N N 291 
THR N    N  N N 292 
THR CA   C  N S 293 
THR C    C  N N 294 
THR O    O  N N 295 
THR CB   C  N R 296 
THR OG1  O  N N 297 
THR CG2  C  N N 298 
THR OXT  O  N N 299 
THR H    H  N N 300 
THR H2   H  N N 301 
THR HA   H  N N 302 
THR HB   H  N N 303 
THR HG1  H  N N 304 
THR HG21 H  N N 305 
THR HG22 H  N N 306 
THR HG23 H  N N 307 
THR HXT  H  N N 308 
TRP N    N  N N 309 
TRP CA   C  N S 310 
TRP C    C  N N 311 
TRP O    O  N N 312 
TRP CB   C  N N 313 
TRP CG   C  Y N 314 
TRP CD1  C  Y N 315 
TRP CD2  C  Y N 316 
TRP NE1  N  Y N 317 
TRP CE2  C  Y N 318 
TRP CE3  C  Y N 319 
TRP CZ2  C  Y N 320 
TRP CZ3  C  Y N 321 
TRP CH2  C  Y N 322 
TRP OXT  O  N N 323 
TRP H    H  N N 324 
TRP H2   H  N N 325 
TRP HA   H  N N 326 
TRP HB2  H  N N 327 
TRP HB3  H  N N 328 
TRP HD1  H  N N 329 
TRP HE1  H  N N 330 
TRP HE3  H  N N 331 
TRP HZ2  H  N N 332 
TRP HZ3  H  N N 333 
TRP HH2  H  N N 334 
TRP HXT  H  N N 335 
TYR N    N  N N 336 
TYR CA   C  N S 337 
TYR C    C  N N 338 
TYR O    O  N N 339 
TYR CB   C  N N 340 
TYR CG   C  Y N 341 
TYR CD1  C  Y N 342 
TYR CD2  C  Y N 343 
TYR CE1  C  Y N 344 
TYR CE2  C  Y N 345 
TYR CZ   C  Y N 346 
TYR OH   O  N N 347 
TYR OXT  O  N N 348 
TYR H    H  N N 349 
TYR H2   H  N N 350 
TYR HA   H  N N 351 
TYR HB2  H  N N 352 
TYR HB3  H  N N 353 
TYR HD1  H  N N 354 
TYR HD2  H  N N 355 
TYR HE1  H  N N 356 
TYR HE2  H  N N 357 
TYR HH   H  N N 358 
TYR HXT  H  N N 359 
VAL N    N  N N 360 
VAL CA   C  N S 361 
VAL C    C  N N 362 
VAL O    O  N N 363 
VAL CB   C  N N 364 
VAL CG1  C  N N 365 
VAL CG2  C  N N 366 
VAL OXT  O  N N 367 
VAL H    H  N N 368 
VAL H2   H  N N 369 
VAL HA   H  N N 370 
VAL HB   H  N N 371 
VAL HG11 H  N N 372 
VAL HG12 H  N N 373 
VAL HG13 H  N N 374 
VAL HG21 H  N N 375 
VAL HG22 H  N N 376 
VAL HG23 H  N N 377 
VAL HXT  H  N N 378 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
SER N   CA   sing N N 264 
SER N   H    sing N N 265 
SER N   H2   sing N N 266 
SER CA  C    sing N N 267 
SER CA  CB   sing N N 268 
SER CA  HA   sing N N 269 
SER C   O    doub N N 270 
SER C   OXT  sing N N 271 
SER CB  OG   sing N N 272 
SER CB  HB2  sing N N 273 
SER CB  HB3  sing N N 274 
SER OG  HG   sing N N 275 
SER OXT HXT  sing N N 276 
THR N   CA   sing N N 277 
THR N   H    sing N N 278 
THR N   H2   sing N N 279 
THR CA  C    sing N N 280 
THR CA  CB   sing N N 281 
THR CA  HA   sing N N 282 
THR C   O    doub N N 283 
THR C   OXT  sing N N 284 
THR CB  OG1  sing N N 285 
THR CB  CG2  sing N N 286 
THR CB  HB   sing N N 287 
THR OG1 HG1  sing N N 288 
THR CG2 HG21 sing N N 289 
THR CG2 HG22 sing N N 290 
THR CG2 HG23 sing N N 291 
THR OXT HXT  sing N N 292 
TRP N   CA   sing N N 293 
TRP N   H    sing N N 294 
TRP N   H2   sing N N 295 
TRP CA  C    sing N N 296 
TRP CA  CB   sing N N 297 
TRP CA  HA   sing N N 298 
TRP C   O    doub N N 299 
TRP C   OXT  sing N N 300 
TRP CB  CG   sing N N 301 
TRP CB  HB2  sing N N 302 
TRP CB  HB3  sing N N 303 
TRP CG  CD1  doub Y N 304 
TRP CG  CD2  sing Y N 305 
TRP CD1 NE1  sing Y N 306 
TRP CD1 HD1  sing N N 307 
TRP CD2 CE2  doub Y N 308 
TRP CD2 CE3  sing Y N 309 
TRP NE1 CE2  sing Y N 310 
TRP NE1 HE1  sing N N 311 
TRP CE2 CZ2  sing Y N 312 
TRP CE3 CZ3  doub Y N 313 
TRP CE3 HE3  sing N N 314 
TRP CZ2 CH2  doub Y N 315 
TRP CZ2 HZ2  sing N N 316 
TRP CZ3 CH2  sing Y N 317 
TRP CZ3 HZ3  sing N N 318 
TRP CH2 HH2  sing N N 319 
TRP OXT HXT  sing N N 320 
TYR N   CA   sing N N 321 
TYR N   H    sing N N 322 
TYR N   H2   sing N N 323 
TYR CA  C    sing N N 324 
TYR CA  CB   sing N N 325 
TYR CA  HA   sing N N 326 
TYR C   O    doub N N 327 
TYR C   OXT  sing N N 328 
TYR CB  CG   sing N N 329 
TYR CB  HB2  sing N N 330 
TYR CB  HB3  sing N N 331 
TYR CG  CD1  doub Y N 332 
TYR CG  CD2  sing Y N 333 
TYR CD1 CE1  sing Y N 334 
TYR CD1 HD1  sing N N 335 
TYR CD2 CE2  doub Y N 336 
TYR CD2 HD2  sing N N 337 
TYR CE1 CZ   doub Y N 338 
TYR CE1 HE1  sing N N 339 
TYR CE2 CZ   sing Y N 340 
TYR CE2 HE2  sing N N 341 
TYR CZ  OH   sing N N 342 
TYR OH  HH   sing N N 343 
TYR OXT HXT  sing N N 344 
VAL N   CA   sing N N 345 
VAL N   H    sing N N 346 
VAL N   H2   sing N N 347 
VAL CA  C    sing N N 348 
VAL CA  CB   sing N N 349 
VAL CA  HA   sing N N 350 
VAL C   O    doub N N 351 
VAL C   OXT  sing N N 352 
VAL CB  CG1  sing N N 353 
VAL CB  CG2  sing N N 354 
VAL CB  HB   sing N N 355 
VAL CG1 HG11 sing N N 356 
VAL CG1 HG12 sing N N 357 
VAL CG1 HG13 sing N N 358 
VAL CG2 HG21 sing N N 359 
VAL CG2 HG22 sing N N 360 
VAL CG2 HG23 sing N N 361 
VAL OXT HXT  sing N N 362 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           P20GM104316 
_pdbx_audit_support.ordinal                1 
# 
_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   3O2O 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9AYN 
_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]   0.019420 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_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]   0.019134 
_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]   0.018301 
_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.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 2.51340  1.74867 1.72398 ? 31.80534 0.44561  10.58317 ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.53795  0.34799 0.11320 ? 10.08003 29.74760 2.57510  ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
MG ? ? 6.67814  2.96430 2.32496 ? 4.14073  0.42890  71.01992 ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 2.99955  2.25584 1.72788 ? 23.27268 7.45433  0.31622  ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
NI ? ? 14.97678 9.35030 3.61038 ? 5.01192  0.30261  44.92322 ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ?       ? 15.80542 1.70748  ?        ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ?       ? 1.23737  29.19336 ?        ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   1    N  N    . GLU A 1 1  ? 19.51634  -19.48604 12.81048 0.997 51.70612 ? 21  GLU A N    1 
ATOM   2    C  CA   . GLU A 1 1  ? 18.40963  -18.81436 12.13225 0.997 51.65078 ? 21  GLU A CA   1 
ATOM   3    C  C    . GLU A 1 1  ? 18.64424  -17.30699 12.03027 0.997 51.66907 ? 21  GLU A C    1 
ATOM   4    O  O    . GLU A 1 1  ? 19.66905  -16.80117 12.49239 0.997 52.00562 ? 21  GLU A O    1 
ATOM   5    C  CB   . GLU A 1 1  ? 17.09580  -19.08343 12.86588 0.997 51.58531 ? 21  GLU A CB   1 
ATOM   6    H  HA   . GLU A 1 1  ? 18.33966  -19.16616 11.23101 0.997 61.99133 ? 21  GLU A HA   1 
ATOM   7    N  N    . SER A 1 2  ? 17.67200  -16.59673 11.46069 1.000 51.10614 ? 22  SER A N    1 
ATOM   8    C  CA   . SER A 1 2  ? 17.76617  -15.16143 11.22669 1.000 50.34383 ? 22  SER A CA   1 
ATOM   9    C  C    . SER A 1 2  ? 17.15664  -14.37487 12.38258 1.000 49.35373 ? 22  SER A C    1 
ATOM   10   O  O    . SER A 1 2  ? 16.18883  -14.81230 13.01066 1.000 49.46173 ? 22  SER A O    1 
ATOM   11   C  CB   . SER A 1 2  ? 17.02090  -14.80106 9.94075  1.000 50.48332 ? 22  SER A CB   1 
ATOM   12   O  OG   . SER A 1 2  ? 16.85680  -13.39880 9.81811  1.000 50.51054 ? 22  SER A OG   1 
ATOM   13   H  H    . SER A 1 2  ? 16.92755  -16.93484 11.19411 1.000 61.33776 ? 22  SER A H    1 
ATOM   14   H  HA   . SER A 1 2  ? 18.70002  -14.91114 11.14807 1.000 60.42298 ? 22  SER A HA   1 
ATOM   15   H  HB2  . SER A 1 2  ? 17.52977  -15.12542 9.18131  1.000 60.59037 ? 22  SER A HB2  1 
ATOM   16   H  HB3  . SER A 1 2  ? 16.14595  -15.21952 9.95695  1.000 60.59037 ? 22  SER A HB3  1 
ATOM   17   H  HG   . SER A 1 2  ? 16.04968  -13.21543 9.67485  1.000 60.62304 ? 22  SER A HG   1 
ATOM   18   N  N    . THR A 1 3  ? 17.72355  -13.18760 12.64114 1.000 48.14825 ? 23  THR A N    1 
ATOM   19   C  CA   . THR A 1 3  ? 17.20932  -12.29371 13.67717 1.000 46.91314 ? 23  THR A CA   1 
ATOM   20   C  C    . THR A 1 3  ? 16.06778  -11.39894 13.19824 1.000 44.91432 ? 23  THR A C    1 
ATOM   21   O  O    . THR A 1 3  ? 15.36162  -10.82953 14.03839 1.000 44.74518 ? 23  THR A O    1 
ATOM   22   C  CB   . THR A 1 3  ? 18.33261  -11.43744 14.28496 1.000 47.57832 ? 23  THR A CB   1 
ATOM   23   O  OG1  . THR A 1 3  ? 18.97088  -10.65584 13.26718 1.000 47.83522 ? 23  THR A OG1  1 
ATOM   24   C  CG2  . THR A 1 3  ? 19.36306  -12.32220 14.98069 1.000 47.78883 ? 23  THR A CG2  1 
ATOM   25   H  H    . THR A 1 3  ? 18.41050  -12.87856 12.22619 1.000 57.78829 ? 23  THR A H    1 
ATOM   26   H  HA   . THR A 1 3  ? 16.85984  -12.84926 14.39139 1.000 56.30615 ? 23  THR A HA   1 
ATOM   27   N  N    . GLU A 1 4  ? 15.86690  -11.24626 11.88743 1.000 42.97330 ? 24  GLU A N    1 
ATOM   28   C  CA   A GLU A 1 4  ? 14.70407  -10.52316 11.37395 0.551 42.19239 ? 24  GLU A CA   1 
ATOM   29   C  CA   B GLU A 1 4  ? 14.70306  -10.52364 11.37081 0.449 41.78682 ? 24  GLU A CA   1 
ATOM   30   C  C    . GLU A 1 4  ? 13.49841  -11.44469 11.51548 1.000 40.36819 ? 24  GLU A C    1 
ATOM   31   O  O    . GLU A 1 4  ? 13.17744  -12.23587 10.62604 1.000 40.95854 ? 24  GLU A O    1 
ATOM   32   C  CB   A GLU A 1 4  ? 14.93592  -10.07420 9.93667  0.551 42.93534 ? 24  GLU A CB   1 
ATOM   33   C  CB   B GLU A 1 4  ? 14.91355  -10.09481 9.92189  0.449 41.73258 ? 24  GLU A CB   1 
ATOM   34   C  CG   A GLU A 1 4  ? 15.82822  -8.83966  9.82654  0.551 43.48537 ? 24  GLU A CG   1 
ATOM   35   C  CG   B GLU A 1 4  ? 13.76914  -9.24278  9.36589  0.449 41.54117 ? 24  GLU A CG   1 
ATOM   36   C  CD   A GLU A 1 4  ? 15.09230  -7.54633  10.14617 0.551 43.83353 ? 24  GLU A CD   1 
ATOM   37   C  CD   B GLU A 1 4  ? 14.01153  -8.75535  7.94400  0.449 41.29113 ? 24  GLU A CD   1 
ATOM   38   O  OE1  A GLU A 1 4  ? 14.55061  -6.92109  9.20916  0.551 43.98128 ? 24  GLU A OE1  1 
ATOM   39   O  OE1  B GLU A 1 4  ? 15.11411  -8.98652  7.40450  0.449 41.22208 ? 24  GLU A OE1  1 
ATOM   40   O  OE2  A GLU A 1 4  ? 15.05008  -7.15792  11.33280 0.551 43.92168 ? 24  GLU A OE2  1 
ATOM   41   O  OE2  B GLU A 1 4  ? 13.09364  -8.13753  7.36286  0.449 41.14878 ? 24  GLU A OE2  1 
ATOM   42   H  H    . GLU A 1 4  ? 16.39095  -11.55305 11.27845 1.000 51.57834 ? 24  GLU A H    1 
ATOM   43   H  HA   . GLU A 1 4  ? 14.54326  -9.72479  11.90088 1.000 50.15457 ? 24  GLU A HA   1 
ATOM   44   N  N    . ALA A 1 5  ? 12.83661  -11.34144 12.66411 1.000 36.21844 ? 25  ALA A N    1 
ATOM   45   C  CA   . ALA A 1 5  ? 11.70501  -12.17401 13.04384 1.000 31.78929 ? 25  ALA A CA   1 
ATOM   46   C  C    . ALA A 1 5  ? 10.79684  -11.33133 13.92122 1.000 26.39446 ? 25  ALA A C    1 
ATOM   47   O  O    . ALA A 1 5  ? 11.25144  -10.34580 14.51219 1.000 26.29923 ? 25  ALA A O    1 
ATOM   48   C  CB   . ALA A 1 5  ? 12.17315  -13.39494 13.84616 1.000 32.59041 ? 25  ALA A CB   1 
ATOM   49   H  H    . ALA A 1 5  ? 13.03616  -10.76552 13.27082 1.000 43.47252 ? 25  ALA A H    1 
ATOM   50   H  HA   . ALA A 1 5  ? 11.22457  -12.46846 12.25429 1.000 38.15753 ? 25  ALA A HA   1 
ATOM   51   H  HB1  . ALA A 1 5  ? 11.39776  -13.91069 14.11759 1.000 39.11888 ? 25  ALA A HB1  1 
ATOM   52   H  HB2  . ALA A 1 5  ? 12.75191  -13.93697 13.28747 1.000 39.11888 ? 25  ALA A HB2  1 
ATOM   53   H  HB3  . ALA A 1 5  ? 12.65887  -13.09114 14.62889 1.000 39.11888 ? 25  ALA A HB3  1 
ATOM   54   N  N    . PRO A 1 6  ? 9.51600   -11.68539 14.03958 1.000 22.34559 ? 26  PRO A N    1 
ATOM   55   C  CA   . PRO A 1 6  ? 8.62723   -10.85870 14.85642 1.000 19.09366 ? 26  PRO A CA   1 
ATOM   56   C  C    . PRO A 1 6  ? 8.82257   -11.05737 16.35093 1.000 13.64861 ? 26  PRO A C    1 
ATOM   57   O  O    . PRO A 1 6  ? 9.24615   -12.11272 16.83402 1.000 12.90609 ? 26  PRO A O    1 
ATOM   58   C  CB   . PRO A 1 6  ? 7.22611   -11.28879 14.41321 1.000 22.18536 ? 26  PRO A CB   1 
ATOM   59   C  CG   . PRO A 1 6  ? 7.39408   -12.68098 14.01516 1.000 23.67686 ? 26  PRO A CG   1 
ATOM   60   C  CD   . PRO A 1 6  ? 8.75848   -12.77435 13.39196 1.000 23.36377 ? 26  PRO A CD   1 
ATOM   61   H  HA   . PRO A 1 6  ? 8.76339   -9.92125  14.64773 1.000 22.92278 ? 26  PRO A HA   1 
ATOM   62   H  HB2  . PRO A 1 6  ? 6.60245   -11.20790 15.15173 1.000 26.63282 ? 26  PRO A HB2  1 
ATOM   63   H  HB3  . PRO A 1 6  ? 6.92959   -10.74404 13.66740 1.000 26.63282 ? 26  PRO A HB3  1 
ATOM   64   H  HG2  . PRO A 1 6  ? 7.33425   -13.25304 14.79623 1.000 28.42262 ? 26  PRO A HG2  1 
ATOM   65   H  HG3  . PRO A 1 6  ? 6.70728   -12.92205 13.37399 1.000 28.42262 ? 26  PRO A HG3  1 
ATOM   66   H  HD2  . PRO A 1 6  ? 9.16433   -13.63478 13.58130 1.000 28.04691 ? 26  PRO A HD2  1 
ATOM   67   H  HD3  . PRO A 1 6  ? 8.70841   -12.63491 12.43334 1.000 28.04691 ? 26  PRO A HD3  1 
ATOM   68   N  N    . TRP A 1 7  ? 8.50710   -9.98432  17.06839 1.000 11.56973 ? 27  TRP A N    1 
ATOM   69   C  CA   . TRP A 1 7  ? 8.59710   -9.86992  18.51941 1.000 9.83966  ? 27  TRP A CA   1 
ATOM   70   C  C    . TRP A 1 7  ? 7.21555   -9.54205  19.06321 1.000 9.47831  ? 27  TRP A C    1 
ATOM   71   O  O    . TRP A 1 7  ? 6.31247   -9.14593  18.32151 1.000 10.30654 ? 27  TRP A O    1 
ATOM   72   C  CB   . TRP A 1 7  ? 9.61237   -8.77036  18.90414 1.000 9.78026  ? 27  TRP A CB   1 
ATOM   73   C  CG   . TRP A 1 7  ? 11.05029  -9.22788  18.76622 1.000 10.61794 ? 27  TRP A CG   1 
ATOM   74   C  CD1  . TRP A 1 7  ? 11.64844  -9.72918  17.65188 1.000 11.75396 ? 27  TRP A CD1  1 
ATOM   75   C  CD2  . TRP A 1 7  ? 12.03973  -9.28159  19.80677 1.000 10.68114 ? 27  TRP A CD2  1 
ATOM   76   N  NE1  . TRP A 1 7  ? 12.94046  -10.08660 17.92676 1.000 12.48386 ? 27  TRP A NE1  1 
ATOM   77   C  CE2  . TRP A 1 7  ? 13.21394  -9.80315  19.23923 1.000 11.56689 ? 27  TRP A CE2  1 
ATOM   78   C  CE3  . TRP A 1 7  ? 12.06407  -8.89394  21.14864 1.000 10.86815 ? 27  TRP A CE3  1 
ATOM   79   C  CZ2  . TRP A 1 7  ? 14.37584  -10.01263 19.98441 1.000 12.25452 ? 27  TRP A CZ2  1 
ATOM   80   C  CZ3  . TRP A 1 7  ? 13.22064  -9.08560  21.87577 1.000 11.98221 ? 27  TRP A CZ3  1 
ATOM   81   C  CH2  . TRP A 1 7  ? 14.36037  -9.64147  21.29100 1.000 12.50544 ? 27  TRP A CH2  1 
ATOM   82   H  H    . TRP A 1 7  ? 8.21760   -9.25752  16.71124 1.000 13.89406 ? 27  TRP A H    1 
ATOM   83   H  HA   . TRP A 1 7  ? 8.89180   -10.70204 18.92142 1.000 11.81798 ? 27  TRP A HA   1 
ATOM   84   H  HB2  . TRP A 1 7  ? 9.48379   -8.00427  18.32322 1.000 11.74670 ? 27  TRP A HB2  1 
ATOM   85   H  HB3  . TRP A 1 7  ? 9.46586   -8.51431  19.82820 1.000 11.74670 ? 27  TRP A HB3  1 
ATOM   86   H  HD1  . TRP A 1 7  ? 11.23795  -9.81649  16.82196 1.000 14.11514 ? 27  TRP A HD1  1 
ATOM   87   H  HE1  . TRP A 1 7  ? 13.49231  -10.43349 17.36575 1.000 14.99102 ? 27  TRP A HE1  1 
ATOM   88   H  HE3  . TRP A 1 7  ? 11.31371  -8.51332  21.54485 1.000 13.05216 ? 27  TRP A HE3  1 
ATOM   89   H  HZ2  . TRP A 1 7  ? 15.13284  -10.39245 19.60023 1.000 14.71582 ? 27  TRP A HZ2  1 
ATOM   90   H  HZ3  . TRP A 1 7  ? 13.24167  -8.83992  22.77248 1.000 14.38904 ? 27  TRP A HZ3  1 
ATOM   91   H  HH2  . TRP A 1 7  ? 15.12496  -9.76008  21.80697 1.000 15.01691 ? 27  TRP A HH2  1 
ATOM   92   N  N    . VAL A 1 8  ? 7.05768   -9.71539  20.36913 1.000 9.04072  ? 28  VAL A N    1 
ATOM   93   C  CA   . VAL A 1 8  ? 5.83520   -9.35981  21.07972 1.000 8.86345  ? 28  VAL A CA   1 
ATOM   94   C  C    . VAL A 1 8  ? 6.20408   -8.53007  22.29260 1.000 8.28324  ? 28  VAL A C    1 
ATOM   95   O  O    . VAL A 1 8  ? 7.28806   -8.67864  22.86194 1.000 9.34131  ? 28  VAL A O    1 
ATOM   96   C  CB   . VAL A 1 8  ? 5.01487   -10.59184 21.52012 1.000 10.35077 ? 28  VAL A CB   1 
ATOM   97   C  CG1  . VAL A 1 8  ? 4.40268   -11.28295 20.30059 1.000 12.08102 ? 28  VAL A CG1  1 
ATOM   98   C  CG2  . VAL A 1 8  ? 5.83516   -11.55990 22.37942 1.000 11.35186 ? 28  VAL A CG2  1 
ATOM   99   H  H    . VAL A 1 8  ? 7.66302   -10.04757 20.88179 1.000 10.85925 ? 28  VAL A H    1 
ATOM   100  H  HA   . VAL A 1 8  ? 5.28256   -8.82939  20.48462 1.000 10.64652 ? 28  VAL A HA   1 
ATOM   101  H  HB   . VAL A 1 8  ? 4.28908   -10.28818 22.08750 1.000 12.43131 ? 28  VAL A HB   1 
ATOM   102  H  HG11 . VAL A 1 8  ? 3.97350   -12.10479 20.58567 1.000 14.50762 ? 28  VAL A HG11 1 
ATOM   103  H  HG12 . VAL A 1 8  ? 3.74867   -10.69090 19.89728 1.000 14.50762 ? 28  VAL A HG12 1 
ATOM   104  H  HG13 . VAL A 1 8  ? 5.10670   -11.48121 19.66344 1.000 14.50762 ? 28  VAL A HG13 1 
ATOM   105  H  HG21 . VAL A 1 8  ? 5.33374   -12.38218 22.49492 1.000 13.63262 ? 28  VAL A HG21 1 
ATOM   106  H  HG22 . VAL A 1 8  ? 6.67555   -11.74504 21.93179 1.000 13.63262 ? 28  VAL A HG22 1 
ATOM   107  H  HG23 . VAL A 1 8  ? 6.00332   -11.15097 23.24278 1.000 13.63262 ? 28  VAL A HG23 1 
ATOM   108  N  N    . THR A 1 9  ? 5.25178   -7.68842  22.71292 1.000 7.72302  ? 29  THR A N    1 
ATOM   109  C  CA   . THR A 1 9  ? 5.29297   -7.00936  24.00869 1.000 7.25017  ? 29  THR A CA   1 
ATOM   110  C  C    . THR A 1 9  ? 4.32538   -7.71254  24.94577 1.000 7.14196  ? 29  THR A C    1 
ATOM   111  O  O    . THR A 1 9  ? 3.16659   -7.95562  24.58196 1.000 7.69226  ? 29  THR A O    1 
ATOM   112  C  CB   . THR A 1 9  ? 4.91440   -5.53136  23.87088 1.000 7.64785  ? 29  THR A CB   1 
ATOM   113  O  OG1  . THR A 1 9  ? 5.88094   -4.86521  23.06647 1.000 8.80473  ? 29  THR A OG1  1 
ATOM   114  C  CG2  . THR A 1 9  ? 4.91375   -4.84269  25.20846 1.000 7.97736  ? 29  THR A CG2  1 
ATOM   115  H  H    . THR A 1 9  ? 4.55401   -7.49119  22.25053 1.000 9.27801  ? 29  THR A H    1 
ATOM   116  H  HA   . THR A 1 9  ? 6.18873   -7.05120  24.37849 1.000 8.71059  ? 29  THR A HA   1 
ATOM   117  H  HB   . THR A 1 9  ? 4.02950   -5.48018  23.47687 1.000 9.18781  ? 29  THR A HB   1 
ATOM   118  H  HG1  . THR A 1 9  ? 5.86422   -5.17151  22.28448 1.000 10.57607 ? 29  THR A HG1  1 
ATOM   119  H  HG21 . THR A 1 9  ? 5.00908   -3.88487  25.08852 1.000 9.58322  ? 29  THR A HG21 1 
ATOM   120  H  HG22 . THR A 1 9  ? 4.08083   -5.02046  25.67273 1.000 9.58322  ? 29  THR A HG22 1 
ATOM   121  H  HG23 . THR A 1 9  ? 5.65091   -5.16717  25.74903 1.000 9.58322  ? 29  THR A HG23 1 
ATOM   122  N  N    . ILE A 1 10 ? 4.80521   -8.01519  26.14148 1.000 7.32552  ? 30  ILE A N    1 
ATOM   123  C  CA   . ILE A 1 10 ? 4.05735   -8.72532  27.16963 1.000 7.49093  ? 30  ILE A CA   1 
ATOM   124  C  C    . ILE A 1 10 ? 3.89649   -7.79342  28.35126 1.000 7.15233  ? 30  ILE A C    1 
ATOM   125  O  O    . ILE A 1 10 ? 4.86395   -7.17836  28.78129 1.000 8.34544  ? 30  ILE A O    1 
ATOM   126  C  CB   . ILE A 1 10 ? 4.79400   -10.01193 27.59516 1.000 9.03300  ? 30  ILE A CB   1 
ATOM   127  C  CG1  . ILE A 1 10 ? 4.86287   -10.99062 26.41798 1.000 11.97486 ? 30  ILE A CG1  1 
ATOM   128  C  CG2  . ILE A 1 10 ? 4.11307   -10.65557 28.79840 1.000 9.19165  ? 30  ILE A CG2  1 
ATOM   129  C  CD1  . ILE A 1 10 ? 5.91890   -12.07896 26.56237 1.000 14.35675 ? 30  ILE A CD1  1 
ATOM   130  H  H    . ILE A 1 10 ? 5.60116   -7.80996  26.39433 1.000 8.80101  ? 30  ILE A H    1 
ATOM   131  H  HA   . ILE A 1 10 ? 3.17734   -8.96161  26.83698 1.000 8.99950  ? 30  ILE A HA   1 
ATOM   132  H  HB   . ILE A 1 10 ? 5.69805   -9.77618  27.85597 1.000 10.84999 ? 30  ILE A HB   1 
ATOM   133  H  HG12 . ILE A 1 10 ? 4.00169   -11.42807 26.32903 1.000 14.38022 ? 30  ILE A HG12 1 
ATOM   134  H  HG13 . ILE A 1 10 ? 5.06584   -10.49065 25.61192 1.000 14.38022 ? 30  ILE A HG13 1 
ATOM   135  H  HG21 . ILE A 1 10 ? 4.37387   -11.58858 28.84716 1.000 11.04036 ? 30  ILE A HG21 1 
ATOM   136  H  HG22 . ILE A 1 10 ? 4.39086   -10.19194 29.60387 1.000 11.04036 ? 30  ILE A HG22 1 
ATOM   137  H  HG23 . ILE A 1 10 ? 3.15147   -10.58604 28.69167 1.000 11.04036 ? 30  ILE A HG23 1 
ATOM   138  H  HD11 . ILE A 1 10 ? 6.04723   -12.51045 25.70316 1.000 17.23849 ? 30  ILE A HD11 1 
ATOM   139  H  HD12 . ILE A 1 10 ? 6.75017   -11.67527 26.85722 1.000 17.23849 ? 30  ILE A HD12 1 
ATOM   140  H  HD13 . ILE A 1 10 ? 5.61609   -12.72802 27.21653 1.000 17.23849 ? 30  ILE A HD13 1 
ATOM   141  N  N    . VAL A 1 11 ? 2.68172   -7.70739  28.88818 1.000 7.04599  ? 31  VAL A N    1 
ATOM   142  C  CA   . VAL A 1 11 ? 2.42905   -7.04496  30.16236 1.000 7.25865  ? 31  VAL A CA   1 
ATOM   143  C  C    . VAL A 1 11 ? 2.21838   -8.10531  31.22610 1.000 7.75824  ? 31  VAL A C    1 
ATOM   144  O  O    . VAL A 1 11 ? 1.48472   -9.06695  31.01283 1.000 8.19860  ? 31  VAL A O    1 
ATOM   145  C  CB   . VAL A 1 11 ? 1.25054   -6.05817  30.06782 1.000 7.43935  ? 31  VAL A CB   1 
ATOM   146  C  CG1  . VAL A 1 11 ? 0.87669   -5.52270  31.44194 1.000 8.42492  ? 31  VAL A CG1  1 
ATOM   147  C  CG2  . VAL A 1 11 ? 1.64945   -4.90465  29.15544 1.000 8.08677  ? 31  VAL A CG2  1 
ATOM   148  H  H    . VAL A 1 11 ? 1.97381   -8.03268  28.52397 1.000 8.46557  ? 31  VAL A H    1 
ATOM   149  H  HA   . VAL A 1 11 ? 3.20915   -6.52887  30.41925 1.000 8.72076  ? 31  VAL A HA   1 
ATOM   150  H  HB   . VAL A 1 11 ? 0.47505   -6.51544  29.70670 1.000 8.93761  ? 31  VAL A HB   1 
ATOM   151  H  HG11 . VAL A 1 11 ? 0.35798   -4.71020  31.33385 1.000 10.12029 ? 31  VAL A HG11 1 
ATOM   152  H  HG12 . VAL A 1 11 ? 0.35118   -6.19095  31.90903 1.000 10.12029 ? 31  VAL A HG12 1 
ATOM   153  H  HG13 . VAL A 1 11 ? 1.68812   -5.33350  31.93863 1.000 10.12029 ? 31  VAL A HG13 1 
ATOM   154  H  HG21 . VAL A 1 11 ? 0.87179   -4.34871  28.99086 1.000 9.71452  ? 31  VAL A HG21 1 
ATOM   155  H  HG22 . VAL A 1 11 ? 2.34264   -4.38350  29.58995 1.000 9.71452  ? 31  VAL A HG22 1 
ATOM   156  H  HG23 . VAL A 1 11 ? 1.98191   -5.26457  28.31829 1.000 9.71452  ? 31  VAL A HG23 1 
ATOM   157  N  N    . TRP A 1 12 ? 2.86888   -7.90629  32.36575 1.000 8.53616  ? 32  TRP A N    1 
ATOM   158  C  CA   . TRP A 1 12 ? 2.86861   -8.81007  33.50403 1.000 9.03489  ? 32  TRP A CA   1 
ATOM   159  C  C    . TRP A 1 12 ? 1.99034   -8.24170  34.60082 1.000 8.99732  ? 32  TRP A C    1 
ATOM   160  O  O    . TRP A 1 12 ? 1.99542   -7.04208  34.86162 1.000 10.33623 ? 32  TRP A O    1 
ATOM   161  C  CB   . TRP A 1 12 ? 4.30580   -8.96788  34.01731 1.000 9.46148  ? 32  TRP A CB   1 
ATOM   162  C  CG   . TRP A 1 12 ? 5.21495   -9.54510  32.98924 1.000 9.86399  ? 32  TRP A CG   1 
ATOM   163  C  CD1  . TRP A 1 12 ? 5.91756   -8.87293  32.03633 1.000 10.66078 ? 32  TRP A CD1  1 
ATOM   164  C  CD2  . TRP A 1 12 ? 5.47027   -10.93109 32.76835 1.000 10.53112 ? 32  TRP A CD2  1 
ATOM   165  N  NE1  . TRP A 1 12 ? 6.61453   -9.75331  31.25284 1.000 11.19884 ? 32  TRP A NE1  1 
ATOM   166  C  CE2  . TRP A 1 12 ? 6.35258   -11.02641 31.67872 1.000 11.34094 ? 32  TRP A CE2  1 
ATOM   167  C  CE3  . TRP A 1 12 ? 5.05155   -12.10398 33.40055 1.000 11.84866 ? 32  TRP A CE3  1 
ATOM   168  C  CZ2  . TRP A 1 12 ? 6.82536   -12.24965 31.20619 1.000 13.20791 ? 32  TRP A CZ2  1 
ATOM   169  C  CZ3  . TRP A 1 12 ? 5.52175   -13.31780 32.92238 1.000 13.28315 ? 32  TRP A CZ3  1 
ATOM   170  C  CH2  . TRP A 1 12 ? 6.39807   -13.37622 31.84311 1.000 13.81931 ? 32  TRP A CH2  1 
ATOM   171  H  H    . TRP A 1 12 ? 3.34883   -7.20767  32.51129 1.000 10.25378 ? 32  TRP A H    1 
ATOM   172  H  HA   . TRP A 1 12 ? 2.51481   -9.67914  33.25821 1.000 10.85226 ? 32  TRP A HA   1 
ATOM   173  H  HB2  . TRP A 1 12 ? 4.64997   -8.09680  34.26965 1.000 11.36416 ? 32  TRP A HB2  1 
ATOM   174  H  HB3  . TRP A 1 12 ? 4.30497   -9.55964  34.78589 1.000 11.36416 ? 32  TRP A HB3  1 
ATOM   175  H  HD1  . TRP A 1 12 ? 5.92328   -7.94876  31.93250 1.000 12.80332 ? 32  TRP A HD1  1 
ATOM   176  H  HE1  . TRP A 1 12 ? 7.13223   -9.54063  30.59988 1.000 13.44900 ? 32  TRP A HE1  1 
ATOM   177  H  HE3  . TRP A 1 12 ? 4.47045   -12.07167 34.12593 1.000 14.22877 ? 32  TRP A HE3  1 
ATOM   178  H  HZ2  . TRP A 1 12 ? 7.40979   -12.29523 30.48420 1.000 15.85988 ? 32  TRP A HZ2  1 
ATOM   179  H  HZ3  . TRP A 1 12 ? 5.24645   -14.10690 33.33035 1.000 15.95017 ? 32  TRP A HZ3  1 
ATOM   180  H  HH2  . TRP A 1 12 ? 6.69991   -14.20520 31.54887 1.000 16.59356 ? 32  TRP A HH2  1 
ATOM   181  N  N    . ASP A 1 13 ? 1.28358   -9.12889  35.29668 1.000 9.76317  ? 33  ASP A N    1 
ATOM   182  C  CA   . ASP A 1 13 ? 0.38812   -8.70320  36.36231 1.000 9.81937  ? 33  ASP A CA   1 
ATOM   183  C  C    . ASP A 1 13 ? 1.18447   -8.11277  37.50961 1.000 10.09291 ? 33  ASP A C    1 
ATOM   184  O  O    . ASP A 1 13 ? 2.18156   -8.69529  37.93483 1.000 11.89137 ? 33  ASP A O    1 
ATOM   185  C  CB   . ASP A 1 13 ? -0.39897  -9.91041  36.85755 1.000 11.07221 ? 33  ASP A CB   1 
ATOM   186  C  CG   . ASP A 1 13 ? -1.51973  -9.52971  37.80366 1.000 12.44774 ? 33  ASP A CG   1 
ATOM   187  O  OD1  . ASP A 1 13 ? -2.15501  -8.47472  37.58033 1.000 13.46912 ? 33  ASP A OD1  1 
ATOM   188  O  OD2  . ASP A 1 13 ? -1.79974  -10.30590 38.72965 1.000 14.38181 ? 33  ASP A OD2  1 
ATOM   189  H  H    . ASP A 1 13 ? 1.30582   -9.97929  35.17051 1.000 11.72619 ? 33  ASP A H    1 
ATOM   190  H  HA   . ASP A 1 13 ? -0.22404  -8.02714  36.03203 1.000 11.79363 ? 33  ASP A HA   1 
ATOM   191  H  HB2  . ASP A 1 13 ? -0.79065  -10.36659 36.09637 1.000 13.29704 ? 33  ASP A HB2  1 
ATOM   192  H  HB3  . ASP A 1 13 ? 0.20205   -10.50806 37.32923 1.000 13.29704 ? 33  ASP A HB3  1 
ATOM   193  N  N    . ASP A 1 14 ? 0.72676   -6.97968  38.02526 1.000 10.88653 ? 34  ASP A N    1 
ATOM   194  C  CA   . ASP A 1 14 ? 1.35995   -6.31590  39.14575 1.000 11.42759 ? 34  ASP A CA   1 
ATOM   195  C  C    . ASP A 1 14 ? 0.32133   -6.05413  40.21889 1.000 12.73376 ? 34  ASP A C    1 
ATOM   196  O  O    . ASP A 1 14 ? -0.85712  -5.91586  39.90264 1.000 12.98531 ? 34  ASP A O    1 
ATOM   197  C  CB   . ASP A 1 14 ? 2.05894   -5.01726  38.72676 1.000 12.03050 ? 34  ASP A CB   1 
ATOM   198  C  CG   . ASP A 1 14 ? 1.12523   -3.87112  38.54953 1.000 13.09097 ? 34  ASP A CG   1 
ATOM   199  O  OD1  . ASP A 1 14 ? 0.82502   -3.20011  39.56732 1.000 14.49881 ? 34  ASP A OD1  1 
ATOM   200  O  OD2  . ASP A 1 14 ? 0.72655   -3.60018  37.38835 1.000 13.71942 ? 34  ASP A OD2  1 
ATOM   201  H  H    . ASP A 1 14 ? 0.03107   -6.56780  37.73207 1.000 13.07423 ? 34  ASP A H    1 
ATOM   202  H  HA   . ASP A 1 14 ? 2.04877   -6.88463  39.52387 1.000 13.72349 ? 34  ASP A HA   1 
ATOM   203  H  HB2  . ASP A 1 14 ? 2.70220   -4.77306  39.41050 1.000 14.44699 ? 34  ASP A HB2  1 
ATOM   204  H  HB3  . ASP A 1 14 ? 2.51238   -5.16406  37.88193 1.000 14.44699 ? 34  ASP A HB3  1 
ATOM   205  N  N    . PRO A 1 15 ? 0.71695   -5.98725  41.48814 1.000 15.11739 ? 35  PRO A N    1 
ATOM   206  C  CA   . PRO A 1 15 ? -0.29039  -5.92746  42.55222 1.000 16.97260 ? 35  PRO A CA   1 
ATOM   207  C  C    . PRO A 1 15 ? -0.80788  -4.53899  42.87912 1.000 18.75927 ? 35  PRO A C    1 
ATOM   208  O  O    . PRO A 1 15 ? -1.63762  -4.43570  43.78804 1.000 21.06772 ? 35  PRO A O    1 
ATOM   209  C  CB   . PRO A 1 15 ? 0.47623   -6.49881  43.75014 1.000 17.87628 ? 35  PRO A CB   1 
ATOM   210  C  CG   . PRO A 1 15 ? 1.88826   -6.12631  43.49649 1.000 17.86621 ? 35  PRO A CG   1 
ATOM   211  C  CD   . PRO A 1 15 ? 2.08991   -6.08037  42.04637 1.000 16.64822 ? 35  PRO A CD   1 
ATOM   212  H  HA   . PRO A 1 15 ? -1.04079  -6.50251  42.33520 1.000 20.37751 ? 35  PRO A HA   1 
ATOM   213  H  HB2  . PRO A 1 15 ? 0.15229   -6.10019  44.57298 1.000 21.46193 ? 35  PRO A HB2  1 
ATOM   214  H  HB3  . PRO A 1 15 ? 0.36992   -7.46237  43.78399 1.000 21.46193 ? 35  PRO A HB3  1 
ATOM   215  H  HG2  . PRO A 1 15 ? 2.06321   -5.25603  43.88752 1.000 21.44984 ? 35  PRO A HG2  1 
ATOM   216  H  HG3  . PRO A 1 15 ? 2.46990   -6.79225  43.89541 1.000 21.44984 ? 35  PRO A HG3  1 
ATOM   217  H  HD2  . PRO A 1 15 ? 2.61266   -5.30167  41.79886 1.000 19.98825 ? 35  PRO A HD2  1 
ATOM   218  H  HD3  . PRO A 1 15 ? 2.53019   -6.88748  41.73715 1.000 19.98825 ? 35  PRO A HD3  1 
ATOM   219  N  N    . VAL A 1 16 ? -0.34279  -3.49402  42.19441 1.000 18.71804 ? 36  VAL A N    1 
ATOM   220  C  CA   . VAL A 1 16 ? -0.61951  -2.10462  42.55528 1.000 19.82458 ? 36  VAL A CA   1 
ATOM   221  C  C    . VAL A 1 16 ? -1.58731  -1.43623  41.57982 1.000 17.95760 ? 36  VAL A C    1 
ATOM   222  O  O    . VAL A 1 16 ? -2.53092  -0.76809  42.01001 1.000 19.27954 ? 36  VAL A O    1 
ATOM   223  C  CB   . VAL A 1 16 ? 0.68884   -1.29129  42.69057 1.000 22.76484 ? 36  VAL A CB   1 
ATOM   224  C  CG1  . VAL A 1 16 ? 0.38244   0.18858   42.94696 1.000 24.02554 ? 36  VAL A CG1  1 
ATOM   225  C  CG2  . VAL A 1 16 ? 1.57765   -1.88049  43.78884 1.000 23.62127 ? 36  VAL A CG2  1 
ATOM   226  H  H    . VAL A 1 16 ? 0.15129   -3.56803  41.49441 1.000 22.47204 ? 36  VAL A H    1 
ATOM   227  H  HA   . VAL A 1 16 ? -1.05512  -2.10794  43.42196 1.000 23.79988 ? 36  VAL A HA   1 
ATOM   228  H  HB   . VAL A 1 16 ? 1.18183   -1.34469  41.85690 1.000 27.32819 ? 36  VAL A HB   1 
ATOM   229  H  HG11 . VAL A 1 16 ? 1.14887   0.60002   43.37613 1.000 28.84104 ? 36  VAL A HG11 1 
ATOM   230  H  HG12 . VAL A 1 16 ? 0.20376   0.62550   42.09956 1.000 28.84104 ? 36  VAL A HG12 1 
ATOM   231  H  HG13 . VAL A 1 16 ? -0.39470  0.25488   43.52364 1.000 28.84104 ? 36  VAL A HG13 1 
ATOM   232  H  HG21 . VAL A 1 16 ? 2.34642   -1.30296  43.91670 1.000 28.35591 ? 36  VAL A HG21 1 
ATOM   233  H  HG22 . VAL A 1 16 ? 1.06684   -1.93821  44.61143 1.000 28.35591 ? 36  VAL A HG22 1 
ATOM   234  H  HG23 . VAL A 1 16 ? 1.86976   -2.76496  43.51812 1.000 28.35591 ? 36  VAL A HG23 1 
ATOM   235  N  N    . ASN A 1 17 ? -1.34036  -1.55045  40.27098 1.000 14.77743 ? 37  ASN A N    1 
ATOM   236  C  CA   . ASN A 1 17 ? -2.14060  -0.80035  39.30956 1.000 13.31464 ? 37  ASN A CA   1 
ATOM   237  C  C    . ASN A 1 17 ? -3.59245  -1.25957  39.33180 1.000 12.69554 ? 37  ASN A C    1 
ATOM   238  O  O    . ASN A 1 17 ? -3.89218  -2.45211  39.42886 1.000 14.13213 ? 37  ASN A O    1 
ATOM   239  C  CB   . ASN A 1 17 ? -1.58235  -0.97299  37.89828 1.000 12.92325 ? 37  ASN A CB   1 
ATOM   240  C  CG   . ASN A 1 17 ? -0.35189  -0.12241  37.63909 1.000 13.27059 ? 37  ASN A CG   1 
ATOM   241  O  OD1  . ASN A 1 17 ? -0.37895  1.10200   37.78921 1.000 14.66614 ? 37  ASN A OD1  1 
ATOM   242  N  ND2  . ASN A 1 17 ? 0.73240   -0.76857  37.24649 1.000 13.64683 ? 37  ASN A ND2  1 
ATOM   243  H  H    . ASN A 1 17 ? -0.72806  -2.04537  39.92494 1.000 17.74330 ? 37  ASN A H    1 
ATOM   244  H  HA   . ASN A 1 17 ? -2.10661  0.13936   39.54767 1.000 15.98796 ? 37  ASN A HA   1 
ATOM   245  H  HB2  . ASN A 1 17 ? -1.33625  -1.90219  37.76817 1.000 15.51829 ? 37  ASN A HB2  1 
ATOM   246  H  HB3  . ASN A 1 17 ? -2.26322  -0.71712  37.25652 1.000 15.51829 ? 37  ASN A HB3  1 
ATOM   247  H  HD21 . ASN A 1 17 ? 1.45721   -0.33443  37.08595 1.000 16.38658 ? 37  ASN A HD21 1 
ATOM   248  H  HD22 . ASN A 1 17 ? 0.71302   -1.62310  37.15162 1.000 16.38658 ? 37  ASN A HD22 1 
ATOM   249  N  N    . LEU A 1 18 ? -4.49835  -0.29557  39.25012 1.000 11.69392 ? 38  LEU A N    1 
ATOM   250  C  CA   . LEU A 1 18 ? -5.91543  -0.60849  39.16082 1.000 10.75203 ? 38  LEU A CA   1 
ATOM   251  C  C    . LEU A 1 18 ? -6.23010  -1.27175  37.82886 1.000 10.22261 ? 38  LEU A C    1 
ATOM   252  O  O    . LEU A 1 18 ? -5.67555  -0.90184  36.78977 1.000 10.02491 ? 38  LEU A O    1 
ATOM   253  C  CB   . LEU A 1 18 ? -6.73767  0.67509   39.26394 1.000 11.68858 ? 38  LEU A CB   1 
ATOM   254  C  CG   . LEU A 1 18 ? -6.74440  1.37042   40.62337 1.000 13.30924 ? 38  LEU A CG   1 
ATOM   255  C  CD1  . LEU A 1 18 ? -7.24715  2.80742   40.48834 1.000 14.67142 ? 38  LEU A CD1  1 
ATOM   256  C  CD2  . LEU A 1 18 ? -7.61970  0.61961   41.58966 1.000 15.36989 ? 38  LEU A CD2  1 
ATOM   257  H  H    . LEU A 1 18 ? -4.31919  0.54554   39.24448 1.000 14.04310 ? 38  LEU A H    1 
ATOM   258  H  HA   . LEU A 1 18 ? -6.15473  -1.20888  39.88412 1.000 12.91282 ? 38  LEU A HA   1 
ATOM   259  H  HB2  . LEU A 1 18 ? -6.38601  1.30999   38.62041 1.000 14.03669 ? 38  LEU A HB2  1 
ATOM   260  H  HB3  . LEU A 1 18 ? -7.65877  0.46027   39.04874 1.000 14.03669 ? 38  LEU A HB3  1 
ATOM   261  H  HG   . LEU A 1 18 ? -5.83818  1.38926   40.96880 1.000 15.98148 ? 38  LEU A HG   1 
ATOM   262  H  HD11 . LEU A 1 18 ? -7.25604  3.22257   41.36496 1.000 17.61610 ? 38  LEU A HD11 1 
ATOM   263  H  HD12 . LEU A 1 18 ? -6.65297  3.29563   39.89715 1.000 17.61610 ? 38  LEU A HD12 1 
ATOM   264  H  HD13 . LEU A 1 18 ? -8.14407  2.79481   40.11920 1.000 17.61610 ? 38  LEU A HD13 1 
ATOM   265  H  HD21 . LEU A 1 18 ? -7.64021  1.09705   42.43377 1.000 18.45425 ? 38  LEU A HD21 1 
ATOM   266  H  HD22 . LEU A 1 18 ? -8.51541  0.55837   41.22243 1.000 18.45425 ? 38  LEU A HD22 1 
ATOM   267  H  HD23 . LEU A 1 18 ? -7.25467  -0.26940  41.72127 1.000 18.45425 ? 38  LEU A HD23 1 
ATOM   268  N  N    . MET A 1 19 ? -7.16549  -2.22484  37.86187 1.000 10.55075 ? 39  MET A N    1 
ATOM   269  C  CA   . MET A 1 19 ? -7.68045  -2.81935  36.63128 1.000 10.63809 ? 39  MET A CA   1 
ATOM   270  C  C    . MET A 1 19 ? -8.22284  -1.75962  35.67685 1.000 9.93708  ? 39  MET A C    1 
ATOM   271  O  O    . MET A 1 19 ? -7.97033  -1.81007  34.46724 1.000 10.23771 ? 39  MET A O    1 
ATOM   272  C  CB   . MET A 1 19 ? -8.75429  -3.85092  36.98476 1.000 11.79006 ? 39  MET A CB   1 
ATOM   273  C  CG   . MET A 1 19 ? -8.21480  -5.07296  37.74399 1.000 13.16492 ? 39  MET A CG   1 
ATOM   274  S  SD   . MET A 1 19 ? -9.42128  -6.18501  38.44516 1.000 14.73090 ? 39  MET A SD   1 
ATOM   275  C  CE   . MET A 1 19 ? -10.04311 -6.92928  36.95335 1.000 16.38745 ? 39  MET A CE   1 
ATOM   276  H  H    . MET A 1 19 ? -7.51570  -2.54221  38.58037 1.000 12.67129 ? 39  MET A H    1 
ATOM   277  H  HA   . MET A 1 19 ? -6.95873  -3.28017  36.17559 1.000 12.77610 ? 39  MET A HA   1 
ATOM   278  H  HB2  . MET A 1 19 ? -9.42233  -3.42576  37.54499 1.000 14.15846 ? 39  MET A HB2  1 
ATOM   279  H  HB3  . MET A 1 19 ? -9.16286  -4.16890  36.16447 1.000 14.15846 ? 39  MET A HB3  1 
ATOM   280  H  HG2  . MET A 1 19 ? -7.67483  -5.59378  37.12911 1.000 15.80829 ? 39  MET A HG2  1 
ATOM   281  H  HG3  . MET A 1 19 ? -7.66667  -4.75255  38.47732 1.000 15.80829 ? 39  MET A HG3  1 
ATOM   282  H  HE1  . MET A 1 19 ? -10.65836 -7.64140  37.18841 1.000 19.67533 ? 39  MET A HE1  1 
ATOM   283  H  HE2  . MET A 1 19 ? -10.50323 -6.25351  36.43132 1.000 19.67533 ? 39  MET A HE2  1 
ATOM   284  H  HE3  . MET A 1 19 ? -9.29883  -7.28922  36.44602 1.000 19.67533 ? 39  MET A HE3  1 
ATOM   285  N  N    . SER A 1 20 ? -8.93721  -0.77420  36.21367 1.000 9.59597  ? 40  SER A N    1 
ATOM   286  C  CA   . SER A 1 20 ? -9.46370  0.29513   35.37834 1.000 9.74601  ? 40  SER A CA   1 
ATOM   287  C  C    . SER A 1 20 ? -8.35022  1.10799   34.73465 1.000 8.65718  ? 40  SER A C    1 
ATOM   288  O  O    . SER A 1 20 ? -8.47775  1.52958   33.57878 1.000 9.02861  ? 40  SER A O    1 
ATOM   289  C  CB   . SER A 1 20 ? -10.36288 1.20595   36.21168 1.000 10.04552 ? 40  SER A CB   1 
ATOM   290  O  OG   . SER A 1 20 ? -9.63130  1.85483   37.23480 1.000 10.64786 ? 40  SER A OG   1 
ATOM   291  H  H    . SER A 1 20 ? -9.12849  -0.70311  37.04911 1.000 11.52555 ? 40  SER A H    1 
ATOM   292  H  HA   . SER A 1 20 ? -9.99238  -0.10144  34.66832 1.000 11.70560 ? 40  SER A HA   1 
ATOM   293  H  HB2  . SER A 1 20 ? -10.75377 1.87754   35.63110 1.000 12.06501 ? 40  SER A HB2  1 
ATOM   294  H  HB3  . SER A 1 20 ? -11.06246 0.67037   36.61744 1.000 12.06501 ? 40  SER A HB3  1 
ATOM   295  H  HG   . SER A 1 20 ? -10.15568 2.26492   37.74709 1.000 12.78781 ? 40  SER A HG   1 
ATOM   296  N  N    . TYR A 1 21 ? -7.25626  1.31639   35.45566 1.000 8.74368  ? 41  TYR A N    1 
ATOM   297  C  CA   . TYR A 1 21 ? -6.12274  2.03583   34.89606 1.000 8.14574  ? 41  TYR A CA   1 
ATOM   298  C  C    . TYR A 1 21 ? -5.49816  1.27421   33.73474 1.000 7.69253  ? 41  TYR A C    1 
ATOM   299  O  O    . TYR A 1 21 ? -5.19400  1.86186   32.69093 1.000 7.81787  ? 41  TYR A O    1 
ATOM   300  C  CB   . TYR A 1 21 ? -5.07949  2.28412   35.98161 1.000 8.39933  ? 41  TYR A CB   1 
ATOM   301  C  CG   . TYR A 1 21 ? -3.87721  3.03787   35.48378 1.000 8.60278  ? 41  TYR A CG   1 
ATOM   302  C  CD1  . TYR A 1 21 ? -3.98419  4.33364   34.97858 1.000 9.15711  ? 41  TYR A CD1  1 
ATOM   303  C  CD2  . TYR A 1 21 ? -2.63356  2.45748   35.49882 1.000 9.26741  ? 41  TYR A CD2  1 
ATOM   304  C  CE1  . TYR A 1 21 ? -2.87962  5.02414   34.53291 1.000 9.86204  ? 41  TYR A CE1  1 
ATOM   305  C  CE2  . TYR A 1 21 ? -1.51913  3.13873   35.04764 1.000 10.08002 ? 41  TYR A CE2  1 
ATOM   306  C  CZ   . TYR A 1 21 ? -1.64598  4.41502   34.57660 1.000 9.96015  ? 41  TYR A CZ   1 
ATOM   307  O  OH   . TYR A 1 21 ? -0.55998  5.11380   34.11092 1.000 11.69664 ? 41  TYR A OH   1 
ATOM   308  H  H    . TYR A 1 21 ? -7.14514  1.05320   36.26683 1.000 10.50281 ? 41  TYR A H    1 
ATOM   309  H  HA   . TYR A 1 21 ? -6.43320  2.89247   34.56336 1.000 9.78527  ? 41  TYR A HA   1 
ATOM   310  H  HB2  . TYR A 1 21 ? -5.48427  2.80390   36.69356 1.000 10.08958 ? 41  TYR A HB2  1 
ATOM   311  H  HB3  . TYR A 1 21 ? -4.77507  1.43003   36.32622 1.000 10.08958 ? 41  TYR A HB3  1 
ATOM   312  H  HD1  . TYR A 1 21 ? -4.81991  4.74001   34.94200 1.000 10.99892 ? 41  TYR A HD1  1 
ATOM   313  H  HD2  . TYR A 1 21 ? -2.53908  1.58935   35.81870 1.000 11.13128 ? 41  TYR A HD2  1 
ATOM   314  H  HE1  . TYR A 1 21 ? -2.96583  5.89075   34.20662 1.000 11.84484 ? 41  TYR A HE1  1 
ATOM   315  H  HE2  . TYR A 1 21 ? -0.68431  2.72923   35.06457 1.000 12.10641 ? 41  TYR A HE2  1 
ATOM   316  H  HH   . TYR A 1 21 ? 0.12824   4.63366   34.14851 1.000 14.04635 ? 41  TYR A HH   1 
ATOM   317  N  N    . VAL A 1 22 ? -5.30659  -0.03443  33.90850 1.000 7.54789  ? 42  VAL A N    1 
ATOM   318  C  CA   . VAL A 1 22 ? -4.67753  -0.83816  32.87328 1.000 7.47868  ? 42  VAL A CA   1 
ATOM   319  C  C    . VAL A 1 22 ? -5.50460  -0.80080  31.59621 1.000 7.39471  ? 42  VAL A C    1 
ATOM   320  O  O    . VAL A 1 22 ? -4.95380  -0.64731  30.49802 1.000 7.55509  ? 42  VAL A O    1 
ATOM   321  C  CB   . VAL A 1 22 ? -4.41925  -2.26448  33.38635 1.000 8.13090  ? 42  VAL A CB   1 
ATOM   322  C  CG1  . VAL A 1 22 ? -3.93066  -3.15744  32.26370 1.000 8.36894  ? 42  VAL A CG1  1 
ATOM   323  C  CG2  . VAL A 1 22 ? -3.40969  -2.25258  34.53865 1.000 9.14147  ? 42  VAL A CG2  1 
ATOM   324  H  H    . VAL A 1 22 ? -5.53140  -0.47406  34.61262 1.000 9.06786  ? 42  VAL A H    1 
ATOM   325  H  HA   . VAL A 1 22 ? -3.81193  -0.45695  32.65808 1.000 8.98480  ? 42  VAL A HA   1 
ATOM   326  H  HB   . VAL A 1 22 ? -5.25470  -2.62699  33.72027 1.000 9.76747  ? 42  VAL A HB   1 
ATOM   327  H  HG11 . VAL A 1 22 ? -3.52269  -3.95028  32.64560 1.000 10.05311 ? 42  VAL A HG11 1 
ATOM   328  H  HG12 . VAL A 1 22 ? -4.68548  -3.40853  31.70863 1.000 10.05311 ? 42  VAL A HG12 1 
ATOM   329  H  HG13 . VAL A 1 22 ? -3.27836  -2.67176  31.73500 1.000 10.05311 ? 42  VAL A HG13 1 
ATOM   330  H  HG21 . VAL A 1 22 ? -3.28457  -3.15982  34.85827 1.000 10.98016 ? 42  VAL A HG21 1 
ATOM   331  H  HG22 . VAL A 1 22 ? -2.56700  -1.89618  34.21654 1.000 10.98016 ? 42  VAL A HG22 1 
ATOM   332  H  HG23 . VAL A 1 22 ? -3.75320  -1.69438  35.25371 1.000 10.98016 ? 42  VAL A HG23 1 
ATOM   333  N  N    . THR A 1 23 ? -6.83272  -0.94003  31.71021 1.000 7.86989  ? 43  THR A N    1 
ATOM   334  C  CA   . THR A 1 23 ? -7.69293  -0.83342  30.53288 1.000 7.93211  ? 43  THR A CA   1 
ATOM   335  C  C    . THR A 1 23 ? -7.49643  0.49623   29.82243 1.000 7.75627  ? 43  THR A C    1 
ATOM   336  O  O    . THR A 1 23 ? -7.32044  0.55008   28.60603 1.000 7.98765  ? 43  THR A O    1 
ATOM   337  C  CB   . THR A 1 23 ? -9.15810  -0.98946  30.93743 1.000 9.41094  ? 43  THR A CB   1 
ATOM   338  O  OG1  . THR A 1 23 ? -9.33041  -2.25696  31.56005 1.000 10.65857 ? 43  THR A OG1  1 
ATOM   339  C  CG2  . THR A 1 23 ? -10.08501 -0.85789  29.74681 1.000 10.13043 ? 43  THR A CG2  1 
ATOM   340  H  H    . THR A 1 23 ? -7.25022  -1.09391  32.44615 1.000 9.45426  ? 43  THR A H    1 
ATOM   341  H  HA   . THR A 1 23 ? -7.45942  -1.54877  29.92079 1.000 9.52892  ? 43  THR A HA   1 
ATOM   342  H  HB   . THR A 1 23 ? -9.40047  -0.28414  31.55765 1.000 11.30351 ? 43  THR A HB   1 
ATOM   343  H  HG1  . THR A 1 23 ? -8.93753  -2.26816  32.30242 1.000 12.80067 ? 43  THR A HG1  1 
ATOM   344  H  HG21 . THR A 1 23 ? -10.94710 -1.25217  29.95234 1.000 12.16691 ? 43  THR A HG21 1 
ATOM   345  H  HG22 . THR A 1 23 ? -10.21146 0.07830   29.52666 1.000 12.16691 ? 43  THR A HG22 1 
ATOM   346  H  HG23 . THR A 1 23 ? -9.70555  -1.31335  28.97903 1.000 12.16691 ? 43  THR A HG23 1 
ATOM   347  N  N    . TYR A 1 24 ? -7.53419  1.59035   30.59301 1.000 7.76189  ? 44  TYR A N    1 
ATOM   348  C  CA   . TYR A 1 24 ? -7.33145  2.92076   30.02650 1.000 8.15044  ? 44  TYR A CA   1 
ATOM   349  C  C    . TYR A 1 24 ? -5.98107  3.03193   29.32420 1.000 7.49353  ? 44  TYR A C    1 
ATOM   350  O  O    . TYR A 1 24 ? -5.90582  3.54992   28.20487 1.000 7.91361  ? 44  TYR A O    1 
ATOM   351  C  CB   . TYR A 1 24 ? -7.47486  3.98402   31.12542 1.000 8.91117  ? 44  TYR A CB   1 
ATOM   352  C  CG   . TYR A 1 24 ? -6.91750  5.31267   30.69087 1.000 9.65026  ? 44  TYR A CG   1 
ATOM   353  C  CD1  . TYR A 1 24 ? -7.51272  6.02013   29.66154 1.000 10.50464 ? 44  TYR A CD1  1 
ATOM   354  C  CD2  . TYR A 1 24 ? -5.75578  5.82266   31.24807 1.000 11.43866 ? 44  TYR A CD2  1 
ATOM   355  C  CE1  . TYR A 1 24 ? -6.98664  7.21752   29.21114 1.000 12.23231 ? 44  TYR A CE1  1 
ATOM   356  C  CE2  . TYR A 1 24 ? -5.22129  7.02913   30.80255 1.000 12.97389 ? 44  TYR A CE2  1 
ATOM   357  C  CZ   . TYR A 1 24 ? -5.84907  7.70716   29.78239 1.000 13.20560 ? 44  TYR A CZ   1 
ATOM   358  O  OH   . TYR A 1 24 ? -5.33830  8.89855   29.31885 1.000 15.80438 ? 44  TYR A OH   1 
ATOM   359  H  H    . TYR A 1 24 ? -7.67484  1.58621   31.44142 1.000 9.32466  ? 44  TYR A H    1 
ATOM   360  H  HA   . TYR A 1 24 ? -8.01771  3.08367   29.36061 1.000 9.79092  ? 44  TYR A HA   1 
ATOM   361  H  HB2  . TYR A 1 24 ? -8.41445  4.10180   31.33567 1.000 10.70379 ? 44  TYR A HB2  1 
ATOM   362  H  HB3  . TYR A 1 24 ? -6.99189  3.69461   31.91529 1.000 10.70379 ? 44  TYR A HB3  1 
ATOM   363  H  HD1  . TYR A 1 24 ? -8.28305  5.68338   29.26394 1.000 12.61596 ? 44  TYR A HD1  1 
ATOM   364  H  HD2  . TYR A 1 24 ? -5.32788  5.35370   31.92769 1.000 13.73678 ? 44  TYR A HD2  1 
ATOM   365  H  HE1  . TYR A 1 24 ? -7.40514  7.68478   28.52453 1.000 14.68916 ? 44  TYR A HE1  1 
ATOM   366  H  HE2  . TYR A 1 24 ? -4.44884  7.37279   31.19000 1.000 15.57905 ? 44  TYR A HE2  1 
ATOM   367  H  HH   . TYR A 1 24 ? -4.66117  9.11444   29.76662 1.000 18.97564 ? 44  TYR A HH   1 
ATOM   368  N  N    . VAL A 1 25 ? -4.90551  2.54929   29.95445 1.000 7.26332  ? 45  VAL A N    1 
ATOM   369  C  CA   . VAL A 1 25 ? -3.57491  2.64757   29.35252 1.000 7.32519  ? 45  VAL A CA   1 
ATOM   370  C  C    . VAL A 1 25 ? -3.53633  1.93783   28.00861 1.000 7.08120  ? 45  VAL A C    1 
ATOM   371  O  O    . VAL A 1 25 ? -2.94465  2.43515   27.05478 1.000 7.44310  ? 45  VAL A O    1 
ATOM   372  C  CB   . VAL A 1 25 ? -2.50918  2.10306   30.32542 1.000 8.07156  ? 45  VAL A CB   1 
ATOM   373  C  CG1  . VAL A 1 25 ? -1.16527  1.95323   29.63363 1.000 8.32471  ? 45  VAL A CG1  1 
ATOM   374  C  CG2  . VAL A 1 25 ? -2.35582  3.03801   31.52688 1.000 8.93823  ? 45  VAL A CG2  1 
ATOM   375  H  H    . VAL A 1 25 ? -4.91950  2.16444   30.72340 1.000 8.72638  ? 45  VAL A H    1 
ATOM   376  H  HA   . VAL A 1 25 ? -3.37927  3.58364   29.19007 1.000 8.80061  ? 45  VAL A HA   1 
ATOM   377  H  HB   . VAL A 1 25 ? -2.80017  1.23018   30.63252 1.000 9.69626  ? 45  VAL A HB   1 
ATOM   378  H  HG11 . VAL A 1 25 ? -0.46675  1.91476   30.30556 1.000 10.00004 ? 45  VAL A HG11 1 
ATOM   379  H  HG12 . VAL A 1 25 ? -1.16798  1.13536   29.11212 1.000 10.00004 ? 45  VAL A HG12 1 
ATOM   380  H  HG13 . VAL A 1 25 ? -1.02283  2.71612   29.05173 1.000 10.00004 ? 45  VAL A HG13 1 
ATOM   381  H  HG21 . VAL A 1 25 ? -1.78329  2.61455   32.18550 1.000 10.73626 ? 45  VAL A HG21 1 
ATOM   382  H  HG22 . VAL A 1 25 ? -1.95812  3.87136   31.22979 1.000 10.73626 ? 45  VAL A HG22 1 
ATOM   383  H  HG23 . VAL A 1 25 ? -3.23111  3.20702   31.90926 1.000 10.73626 ? 45  VAL A HG23 1 
ATOM   384  N  N    . PHE A 1 26 ? -4.14035  0.75522   27.91358 1.000 7.18745  ? 46  PHE A N    1 
ATOM   385  C  CA   . PHE A 1 26 ? -4.11093  0.06022   26.63834 1.000 7.73762  ? 46  PHE A CA   1 
ATOM   386  C  C    . PHE A 1 26 ? -4.88052  0.82307   25.56717 1.000 8.06187  ? 46  PHE A C    1 
ATOM   387  O  O    . PHE A 1 26 ? -4.45985  0.86675   24.40707 1.000 8.82838  ? 46  PHE A O    1 
ATOM   388  C  CB   . PHE A 1 26 ? -4.68652  -1.35901  26.79888 1.000 8.10622  ? 46  PHE A CB   1 
ATOM   389  C  CG   . PHE A 1 26 ? -3.85100  -2.30100  27.65411 1.000 7.57903  ? 46  PHE A CG   1 
ATOM   390  C  CD1  . PHE A 1 26 ? -2.51372  -2.06599  27.97408 1.000 8.25493  ? 46  PHE A CD1  1 
ATOM   391  C  CD2  . PHE A 1 26 ? -4.42836  -3.45558  28.12827 1.000 8.01387  ? 46  PHE A CD2  1 
ATOM   392  C  CE1  . PHE A 1 26 ? -1.80338  -2.96284  28.72774 1.000 8.59703  ? 46  PHE A CE1  1 
ATOM   393  C  CE2  . PHE A 1 26 ? -3.70745  -4.36649  28.89047 1.000 7.94238  ? 46  PHE A CE2  1 
ATOM   394  C  CZ   . PHE A 1 26 ? -2.40068  -4.12208  29.17809 1.000 7.72405  ? 46  PHE A CZ   1 
ATOM   395  H  H    . PHE A 1 26 ? -4.55675  0.35210   28.54896 1.000 8.63532  ? 46  PHE A H    1 
ATOM   396  H  HA   . PHE A 1 26 ? -3.18793  -0.01409  26.34949 1.000 9.29553  ? 46  PHE A HA   1 
ATOM   397  H  HB2  . PHE A 1 26 ? -5.56132  -1.29031  27.21230 1.000 9.73785  ? 46  PHE A HB2  1 
ATOM   398  H  HB3  . PHE A 1 26 ? -4.76598  -1.75918  25.91885 1.000 9.73785  ? 46  PHE A HB3  1 
ATOM   399  H  HD1  . PHE A 1 26 ? -2.09897  -1.29039  27.67186 1.000 9.91630  ? 46  PHE A HD1  1 
ATOM   400  H  HD2  . PHE A 1 26 ? -5.32097  -3.63050  27.93448 1.000 9.62703  ? 46  PHE A HD2  1 
ATOM   401  H  HE1  . PHE A 1 26 ? -0.91396  -2.78933  28.93685 1.000 10.32683 ? 46  PHE A HE1  1 
ATOM   402  H  HE2  . PHE A 1 26 ? -4.11703  -5.14075  29.20297 1.000 9.54125  ? 46  PHE A HE2  1 
ATOM   403  H  HZ   . PHE A 1 26 ? -1.91086  -4.73511  29.67727 1.000 9.27925  ? 46  PHE A HZ   1 
ATOM   404  N  N    . GLN A 1 27 ? -5.99188  1.45370   25.93702 1.000 7.97947  ? 47  GLN A N    1 
ATOM   405  C  CA   . GLN A 1 27 ? -6.69730  2.29680   24.96902 1.000 8.37613  ? 47  GLN A CA   1 
ATOM   406  C  C    . GLN A 1 27 ? -5.86203  3.49900   24.56351 1.000 8.99608  ? 47  GLN A C    1 
ATOM   407  O  O    . GLN A 1 27 ? -5.78688  3.83972   23.38104 1.000 10.15713 ? 47  GLN A O    1 
ATOM   408  C  CB   . GLN A 1 27 ? -8.02895  2.76143   25.52989 1.000 8.42921  ? 47  GLN A CB   1 
ATOM   409  C  CG   . GLN A 1 27 ? -9.01187  1.64291   25.78748 1.000 8.60383  ? 47  GLN A CG   1 
ATOM   410  C  CD   . GLN A 1 27 ? -10.42762 2.19629   25.70930 1.000 10.19144 ? 47  GLN A CD   1 
ATOM   411  O  OE1  . GLN A 1 27 ? -11.04655 2.51657   26.71121 1.000 11.93551 ? 47  GLN A OE1  1 
ATOM   412  N  NE2  . GLN A 1 27 ? -10.93550 2.32938   24.49175 1.000 10.72057 ? 47  GLN A NE2  1 
ATOM   413  H  H    . GLN A 1 27 ? -6.35015  1.41344   26.71781 1.000 9.58575  ? 47  GLN A H    1 
ATOM   414  H  HA   . GLN A 1 27 ? -6.86958  1.75912   24.18027 1.000 10.06175 ? 47  GLN A HA   1 
ATOM   415  H  HB2  . GLN A 1 27 ? -7.87009  3.21450   26.37274 1.000 10.12544 ? 47  GLN A HB2  1 
ATOM   416  H  HB3  . GLN A 1 27 ? -8.43674  3.37249   24.89648 1.000 10.12544 ? 47  GLN A HB3  1 
ATOM   417  H  HG2  . GLN A 1 27 ? -8.90668  0.95011   25.11677 1.000 10.33498 ? 47  GLN A HG2  1 
ATOM   418  H  HG3  . GLN A 1 27 ? -8.86639  1.27293   26.67227 1.000 10.33498 ? 47  GLN A HG3  1 
ATOM   419  H  HE21 . GLN A 1 27 ? -10.46854 2.10764   23.80445 1.000 12.87507 ? 47  GLN A HE21 1 
ATOM   420  H  HE22 . GLN A 1 27 ? -11.73187 2.63745   24.38934 1.000 12.87507 ? 47  GLN A HE22 1 
ATOM   421  N  N    . LYS A 1 28 ? -5.25045  4.16499   25.53464 1.000 9.07690  ? 48  LYS A N    1 
ATOM   422  C  CA   . LYS A 1 28 ? -4.52146  5.39817   25.27501 1.000 9.94862  ? 48  LYS A CA   1 
ATOM   423  C  C    . LYS A 1 28 ? -3.26049  5.14627   24.46012 1.000 9.56410  ? 48  LYS A C    1 
ATOM   424  O  O    . LYS A 1 28 ? -2.94071  5.90540   23.54196 1.000 11.58818 ? 48  LYS A O    1 
ATOM   425  C  CB   . LYS A 1 28 ? -4.17325  6.05794   26.61397 1.000 12.47566 ? 48  LYS A CB   1 
ATOM   426  C  CG   . LYS A 1 28 ? -3.40894  7.37839   26.52526 1.000 16.16944 ? 48  LYS A CG   1 
ATOM   427  C  CD   . LYS A 1 28 ? -4.18769  8.45990   25.79284 1.000 20.45613 ? 48  LYS A CD   1 
ATOM   428  C  CE   . LYS A 1 28 ? -3.49426  9.79831   25.89325 1.000 24.16570 ? 48  LYS A CE   1 
ATOM   429  N  NZ   . LYS A 1 28 ? -4.21394  10.79274  25.07076 1.000 26.28678 ? 48  LYS A NZ   1 
ATOM   430  H  H    . LYS A 1 28 ? -5.24184  3.92278   26.35978 1.000 10.90266 ? 48  LYS A H    1 
ATOM   431  H  HA   . LYS A 1 28 ? -5.08350  5.99780   24.75979 1.000 11.94873 ? 48  LYS A HA   1 
ATOM   432  H  HB2  . LYS A 1 28 ? -4.99990  6.23562   27.08933 1.000 14.98117 ? 48  LYS A HB2  1 
ATOM   433  H  HB3  . LYS A 1 28 ? -3.62386  5.44139   27.12283 1.000 14.98117 ? 48  LYS A HB3  1 
ATOM   434  H  HG2  . LYS A 1 28 ? -3.22368  7.69786   27.42221 1.000 19.41371 ? 48  LYS A HG2  1 
ATOM   435  H  HG3  . LYS A 1 28 ? -2.57784  7.23166   26.04709 1.000 19.41371 ? 48  LYS A HG3  1 
ATOM   436  H  HD2  . LYS A 1 28 ? -4.26244  8.22387   24.85497 1.000 24.55775 ? 48  LYS A HD2  1 
ATOM   437  H  HD3  . LYS A 1 28 ? -5.07079  8.54286   26.18548 1.000 24.55775 ? 48  LYS A HD3  1 
ATOM   438  H  HE2  . LYS A 1 28 ? -3.49155  10.09826  26.81571 1.000 29.00923 ? 48  LYS A HE2  1 
ATOM   439  H  HE3  . LYS A 1 28 ? -2.58413  9.72183   25.56659 1.000 29.00923 ? 48  LYS A HE3  1 
ATOM   440  H  HZ1  . LYS A 1 28 ? -5.02411  10.93854  25.40908 1.000 31.55452 ? 48  LYS A HZ1  1 
ATOM   441  H  HZ2  . LYS A 1 28 ? -3.76377  11.56039  25.05814 1.000 31.55452 ? 48  LYS A HZ2  1 
ATOM   442  H  HZ3  . LYS A 1 28 ? -4.29871  10.49387  24.23674 1.000 31.55452 ? 48  LYS A HZ3  1 
ATOM   443  N  N    . LEU A 1 29 ? -2.49203  4.12401   24.82482 1.000 8.89159  ? 49  LEU A N    1 
ATOM   444  C  CA   . LEU A 1 29 ? -1.20088  3.90727   24.18964 1.000 9.45317  ? 49  LEU A CA   1 
ATOM   445  C  C    . LEU A 1 29 ? -1.30882  3.19536   22.85739 1.000 9.89657  ? 49  LEU A C    1 
ATOM   446  O  O    . LEU A 1 29 ? -0.46490  3.43192   21.99799 1.000 11.98098 ? 49  LEU A O    1 
ATOM   447  C  CB   . LEU A 1 29 ? -0.27264  3.10181   25.09886 1.000 9.80445  ? 49  LEU A CB   1 
ATOM   448  C  CG   . LEU A 1 29 ? 0.19024   3.76196   26.38362 1.000 10.69836 ? 49  LEU A CG   1 
ATOM   449  C  CD1  . LEU A 1 29 ? 1.13776   2.82584   27.10677 1.000 11.27252 ? 49  LEU A CD1  1 
ATOM   450  C  CD2  . LEU A 1 29 ? 0.80952   5.13329   26.16119 1.000 12.00524 ? 49  LEU A CD2  1 
ATOM   451  H  H    . LEU A 1 29 ? -2.69419  3.54849   25.43105 1.000 10.68030 ? 49  LEU A H    1 
ATOM   452  H  HA   . LEU A 1 29 ? -0.80887  4.78202   24.04119 1.000 11.35419 ? 49  LEU A HA   1 
ATOM   453  H  HB2  . LEU A 1 29 ? -0.73700  2.28865   25.35193 1.000 11.77572 ? 49  LEU A HB2  1 
ATOM   454  H  HB3  . LEU A 1 29 ? 0.52482   2.88420   24.59131 1.000 11.77572 ? 49  LEU A HB3  1 
ATOM   455  H  HG   . LEU A 1 29 ? -0.58353  3.92839   26.94441 1.000 12.84841 ? 49  LEU A HG   1 
ATOM   456  H  HD11 . LEU A 1 29 ? 1.39857   3.22944   27.94937 1.000 13.53741 ? 49  LEU A HD11 1 
ATOM   457  H  HD12 . LEU A 1 29 ? 0.68602   1.98302   27.26951 1.000 13.53741 ? 49  LEU A HD12 1 
ATOM   458  H  HD13 . LEU A 1 29 ? 1.92099   2.67989   26.55345 1.000 13.53741 ? 49  LEU A HD13 1 
ATOM   459  H  HD21 . LEU A 1 29 ? 1.23169   5.42635   26.98386 1.000 14.41667 ? 49  LEU A HD21 1 
ATOM   460  H  HD22 . LEU A 1 29 ? 1.47075   5.07029   25.45429 1.000 14.41667 ? 49  LEU A HD22 1 
ATOM   461  H  HD23 . LEU A 1 29 ? 0.11185   5.75737   25.90688 1.000 14.41667 ? 49  LEU A HD23 1 
ATOM   462  N  N    . PHE A 1 30 ? -2.31992  2.34535   22.66895 1.000 8.90810  ? 50  PHE A N    1 
ATOM   463  C  CA   . PHE A 1 30 ? -2.42886  1.52673   21.47024 1.000 9.60341  ? 50  PHE A CA   1 
ATOM   464  C  C    . PHE A 1 30 ? -3.64756  1.82838   20.62685 1.000 9.82184  ? 50  PHE A C    1 
ATOM   465  O  O    . PHE A 1 30 ? -3.77735  1.24726   19.55001 1.000 10.53101 ? 50  PHE A O    1 
ATOM   466  C  CB   . PHE A 1 30 ? -2.39199  0.03758   21.82852 1.000 10.92049 ? 50  PHE A CB   1 
ATOM   467  C  CG   . PHE A 1 30 ? -1.17122  -0.35067  22.61136 1.000 12.24378 ? 50  PHE A CG   1 
ATOM   468  C  CD1  . PHE A 1 30 ? 0.09864   -0.05555  22.13164 1.000 15.21710 ? 50  PHE A CD1  1 
ATOM   469  C  CD2  . PHE A 1 30 ? -1.28559  -0.96078  23.83769 1.000 13.09811 ? 50  PHE A CD2  1 
ATOM   470  C  CE1  . PHE A 1 30 ? 1.20933   -0.37318  22.84875 1.000 17.16515 ? 50  PHE A CE1  1 
ATOM   471  C  CE2  . PHE A 1 30 ? -0.15424  -1.30082  24.55785 1.000 15.04709 ? 50  PHE A CE2  1 
ATOM   472  C  CZ   . PHE A 1 30 ? 1.08643   -0.99477  24.06492 1.000 17.10601 ? 50  PHE A CZ   1 
ATOM   473  H  H    . PHE A 1 30 ? -2.96072  2.22654   23.23008 1.000 10.70011 ? 50  PHE A H    1 
ATOM   474  H  HA   . PHE A 1 30 ? -1.65590  1.69791   20.90976 1.000 11.53448 ? 50  PHE A HA   1 
ATOM   475  H  HB2  . PHE A 1 30 ? -3.17134  -0.17597  22.36510 1.000 13.11498 ? 50  PHE A HB2  1 
ATOM   476  H  HB3  . PHE A 1 30 ? -2.40000  -0.48290  21.01003 1.000 13.11498 ? 50  PHE A HB3  1 
ATOM   477  H  HD1  . PHE A 1 30 ? 0.19047   0.36563   21.30757 1.000 18.27091 ? 50  PHE A HD1  1 
ATOM   478  H  HD2  . PHE A 1 30 ? -2.12807  -1.14604  24.18528 1.000 15.72812 ? 50  PHE A HD2  1 
ATOM   479  H  HE1  . PHE A 1 30 ? 2.05271   -0.16880  22.51433 1.000 20.60856 ? 50  PHE A HE1  1 
ATOM   480  H  HE2  . PHE A 1 30 ? -0.23607  -1.73653  25.37538 1.000 18.06689 ? 50  PHE A HE2  1 
ATOM   481  H  HZ   . PHE A 1 30 ? 1.84676   -1.20885  24.55580 1.000 20.53760 ? 50  PHE A HZ   1 
ATOM   482  N  N    . GLY A 1 31 ? -4.55000  2.69273   21.08768 1.000 9.44294  ? 51  GLY A N    1 
ATOM   483  C  CA   . GLY A 1 31 ? -5.75181  2.96871   20.33091 1.000 9.54485  ? 51  GLY A CA   1 
ATOM   484  C  C    . GLY A 1 31 ? -6.75760  1.84851   20.35277 1.000 9.19058  ? 51  GLY A C    1 
ATOM   485  O  O    . GLY A 1 31 ? -7.69283  1.84024   19.54098 1.000 10.49415 ? 51  GLY A O    1 
ATOM   486  H  H    . GLY A 1 31 ? -4.48412  3.12427   21.82865 1.000 11.34192 ? 51  GLY A H    1 
ATOM   487  H  HA2  . GLY A 1 31 ? -6.17726  3.76092   20.69462 1.000 11.46421 ? 51  GLY A HA2  1 
ATOM   488  H  HA3  . GLY A 1 31 ? -5.50968  3.13638   19.40670 1.000 11.46421 ? 51  GLY A HA3  1 
ATOM   489  N  N    . TYR A 1 32 ? -6.60700  0.89399   21.25912 1.000 8.76120  ? 52  TYR A N    1 
ATOM   490  C  CA   . TYR A 1 32 ? -7.50715  -0.23256  21.28794 1.000 8.33042  ? 52  TYR A CA   1 
ATOM   491  C  C    . TYR A 1 32 ? -8.88017  0.18904   21.77011 1.000 8.42305  ? 52  TYR A C    1 
ATOM   492  O  O    . TYR A 1 32 ? -9.04100  1.12961   22.55019 1.000 9.03202  ? 52  TYR A O    1 
ATOM   493  C  CB   . TYR A 1 32 ? -6.94658  -1.33606  22.18710 1.000 8.53817  ? 52  TYR A CB   1 
ATOM   494  C  CG   . TYR A 1 32 ? -5.66926  -1.99251  21.71842 1.000 8.32889  ? 52  TYR A CG   1 
ATOM   495  C  CD1  . TYR A 1 32 ? -5.21451  -1.92958  20.40326 1.000 9.33835  ? 52  TYR A CD1  1 
ATOM   496  C  CD2  . TYR A 1 32 ? -4.90669  -2.74063  22.61484 1.000 8.23626  ? 52  TYR A CD2  1 
ATOM   497  C  CE1  . TYR A 1 32 ? -4.06479  -2.59542  20.00364 1.000 9.17582  ? 52  TYR A CE1  1 
ATOM   498  C  CE2  . TYR A 1 32 ? -3.75553  -3.39019  22.22475 1.000 8.87629  ? 52  TYR A CE2  1 
ATOM   499  C  CZ   . TYR A 1 32 ? -3.33844  -3.31543  20.90617 1.000 9.15646  ? 52  TYR A CZ   1 
ATOM   500  O  OH   . TYR A 1 32 ? -2.19426  -3.93587  20.46674 1.000 10.26984 ? 52  TYR A OH   1 
ATOM   501  H  H    . TYR A 1 32 ? -5.99397  0.88017   21.86211 1.000 10.52383 ? 52  TYR A H    1 
ATOM   502  H  HA   . TYR A 1 32 ? -7.60322  -0.59344  20.39271 1.000 10.00690 ? 52  TYR A HA   1 
ATOM   503  H  HB2  . TYR A 1 32 ? -6.76738  -0.95305  23.06007 1.000 10.25619 ? 52  TYR A HB2  1 
ATOM   504  H  HB3  . TYR A 1 32 ? -7.61579  -2.03421  22.26215 1.000 10.25619 ? 52  TYR A HB3  1 
ATOM   505  H  HD1  . TYR A 1 32 ? -5.69161  -1.43077  19.77999 1.000 11.21640 ? 52  TYR A HD1  1 
ATOM   506  H  HD2  . TYR A 1 32 ? -5.18271  -2.80294  23.50074 1.000 9.89390  ? 52  TYR A HD2  1 
ATOM   507  H  HE1  . TYR A 1 32 ? -3.78822  -2.55064  19.11685 1.000 11.02137 ? 52  TYR A HE1  1 
ATOM   508  H  HE2  . TYR A 1 32 ? -3.26095  -3.87659  22.84419 1.000 10.66193 ? 52  TYR A HE2  1 
ATOM   509  H  HH   . TYR A 1 32 ? -1.81915  -4.33244  21.10521 1.000 12.33419 ? 52  TYR A HH   1 
ATOM   510  N  N    . SER A 1 33 ? -9.87883  -0.53172  21.29004 1.000 8.79856  ? 53  SER A N    1 
ATOM   511  C  CA   . SER A 1 33 ? -11.23867 -0.32962  21.74116 1.000 9.32583  ? 53  SER A CA   1 
ATOM   512  C  C    . SER A 1 33 ? -11.37587 -0.78250  23.18013 1.000 9.09774  ? 53  SER A C    1 
ATOM   513  O  O    . SER A 1 33 ? -10.51007 -1.47846  23.72779 1.000 8.84198  ? 53  SER A O    1 
ATOM   514  C  CB   . SER A 1 33 ? -12.19404 -1.14695  20.88895 1.000 10.55041 ? 53  SER A CB   1 
ATOM   515  O  OG   . SER A 1 33 ? -11.95153 -2.51265  21.14074 1.000 11.15534 ? 53  SER A OG   1 
ATOM   516  H  H    . SER A 1 33 ? -9.79312  -1.14893  20.69733 1.000 10.56866 ? 53  SER A H    1 
ATOM   517  H  HA   . SER A 1 33 ? -11.46303 0.61146   21.67088 1.000 11.20139 ? 53  SER A HA   1 
ATOM   518  H  HB2  . SER A 1 33 ? -13.10934 -0.92933  21.12511 1.000 12.67088 ? 53  SER A HB2  1 
ATOM   519  H  HB3  . SER A 1 33 ? -12.03909 -0.95580  19.95068 1.000 12.67088 ? 53  SER A HB3  1 
ATOM   520  H  HG   . SER A 1 33 ? -12.50785 -2.98473  20.72452 1.000 13.39679 ? 53  SER A HG   1 
ATOM   521  N  N    . GLU A 1 34 ? -12.47196 -0.37907  23.80492 1.000 10.15038 ? 54  GLU A N    1 
ATOM   522  C  CA   . GLU A 1 34 ? -12.70536 -0.80011  25.18090 1.000 11.22238 ? 54  GLU A CA   1 
ATOM   523  C  C    . GLU A 1 34 ? -12.83667 -2.30689  25.30563 1.000 10.97992 ? 54  GLU A C    1 
ATOM   524  O  O    . GLU A 1 34 ? -12.22341 -2.87179  26.23237 1.000 10.96155 ? 54  GLU A O    1 
ATOM   525  C  CB   . GLU A 1 34 ? -13.88021 -0.03929  25.81426 1.000 14.80510 ? 54  GLU A CB   1 
ATOM   526  C  CG   . GLU A 1 34 ? -14.11827 -0.38714  27.30347 1.000 19.37732 ? 54  GLU A CG   1 
ATOM   527  C  CD   . GLU A 1 34 ? -14.96688 -1.64948  27.55702 1.000 24.00656 ? 54  GLU A CD   1 
ATOM   528  O  OE1  . GLU A 1 34 ? -15.76771 -2.02788  26.67092 1.000 25.77600 ? 54  GLU A OE1  1 
ATOM   529  O  OE2  . GLU A 1 34 ? -14.74628 -2.30719  28.59621 1.000 26.08058 ? 54  GLU A OE2  1 
ATOM   530  H  H    . GLU A 1 34 ? -13.08125 0.12482   23.46662 1.000 12.19084 ? 54  GLU A H    1 
ATOM   531  H  HA   . GLU A 1 34 ? -11.92598 -0.53565  25.69424 1.000 13.47725 ? 54  GLU A HA   1 
ATOM   532  H  HB2  . GLU A 1 34 ? -13.70220 0.91253   25.75731 1.000 17.77651 ? 54  GLU A HB2  1 
ATOM   533  H  HB3  . GLU A 1 34 ? -14.69049 -0.25503  25.32661 1.000 17.77651 ? 54  GLU A HB3  1 
ATOM   534  H  HG2  . GLU A 1 34 ? -13.25691 -0.52791  27.72672 1.000 23.26317 ? 54  GLU A HG2  1 
ATOM   535  H  HG3  . GLU A 1 34 ? -14.57612 0.35814   27.72279 1.000 23.26317 ? 54  GLU A HG3  1 
ATOM   536  N  N    . PRO A 1 35 ? -13.59327 -3.01959  24.45445 1.000 12.06697 ? 55  PRO A N    1 
ATOM   537  C  CA   . PRO A 1 35 ? -13.67989 -4.47468  24.65674 1.000 12.33041 ? 55  PRO A CA   1 
ATOM   538  C  C    . PRO A 1 35 ? -12.34000 -5.16862  24.51298 1.000 11.01041 ? 55  PRO A C    1 
ATOM   539  O  O    . PRO A 1 35 ? -12.02687 -6.09368  25.27072 1.000 11.44986 ? 55  PRO A O    1 
ATOM   540  C  CB   . PRO A 1 35 ? -14.70132 -4.91567  23.60279 1.000 14.43615 ? 55  PRO A CB   1 
ATOM   541  C  CG   . PRO A 1 35 ? -15.51313 -3.70705  23.34996 1.000 15.01177 ? 55  PRO A CG   1 
ATOM   542  C  CD   . PRO A 1 35 ? -14.57253 -2.57795  23.42979 1.000 13.59853 ? 55  PRO A CD   1 
ATOM   543  H  HA   . PRO A 1 35 ? -14.04395 -4.67386  25.53348 1.000 14.80688 ? 55  PRO A HA   1 
ATOM   544  H  HB2  . PRO A 1 35 ? -14.24453 -5.20450  22.79730 1.000 17.33377 ? 55  PRO A HB2  1 
ATOM   545  H  HB3  . PRO A 1 35 ? -15.24811 -5.63725  23.95098 1.000 17.33377 ? 55  PRO A HB3  1 
ATOM   546  H  HG2  . PRO A 1 35 ? -15.91495 -3.75951  22.46866 1.000 18.02452 ? 55  PRO A HG2  1 
ATOM   547  H  HG3  . PRO A 1 35 ? -16.20457 -3.62833  24.02569 1.000 18.02452 ? 55  PRO A HG3  1 
ATOM   548  H  HD2  . PRO A 1 35 ? -14.13613 -2.43138  22.57599 1.000 16.32863 ? 55  PRO A HD2  1 
ATOM   549  H  HD3  . PRO A 1 35 ? -15.02734 -1.76935  23.71304 1.000 16.32863 ? 55  PRO A HD3  1 
ATOM   550  N  N    . HIS A 1 36 ? -11.51991 -4.68567  23.59121 1.000 10.20827 ? 56  HIS A N    1 
ATOM   551  C  CA   . HIS A 1 36 ? -10.20308 -5.27351  23.36589 1.000 9.68374  ? 56  HIS A CA   1 
ATOM   552  C  C    . HIS A 1 36 ? -9.28093  -4.99562  24.55270 1.000 8.86368  ? 56  HIS A C    1 
ATOM   553  O  O    . HIS A 1 36 ? -8.64027  -5.91573  25.08481 1.000 8.96715  ? 56  HIS A O    1 
ATOM   554  C  CB   . HIS A 1 36 ? -9.65815  -4.67328  22.08106 1.000 10.69593 ? 56  HIS A CB   1 
ATOM   555  C  CG   . HIS A 1 36 ? -8.33902  -5.19563  21.64192 1.000 11.10890 ? 56  HIS A CG   1 
ATOM   556  N  ND1  . HIS A 1 36 ? -7.64221  -4.57798  20.62996 1.000 11.44904 ? 56  HIS A ND1  1 
ATOM   557  C  CD2  . HIS A 1 36 ? -7.60136  -6.26785  22.02528 1.000 12.41022 ? 56  HIS A CD2  1 
ATOM   558  C  CE1  . HIS A 1 36 ? -6.52144  -5.24733  20.41686 1.000 12.07959 ? 56  HIS A CE1  1 
ATOM   559  N  NE2  . HIS A 1 36 ? -6.46739  -6.27049  21.25550 1.000 13.18107 ? 56  HIS A NE2  1 
ATOM   560  H  H    . HIS A 1 36 ? -11.69871 -4.01744  23.08024 1.000 12.26031 ? 56  HIS A H    1 
ATOM   561  H  HA   . HIS A 1 36 ? -10.25694 -6.23734  23.27080 1.000 11.63088 ? 56  HIS A HA   1 
ATOM   562  H  HB2  . HIS A 1 36 ? -10.29128 -4.85170  21.36817 1.000 12.84551 ? 56  HIS A HB2  1 
ATOM   563  H  HB3  . HIS A 1 36 ? -9.56221  -3.71639  22.20778 1.000 12.84551 ? 56  HIS A HB3  1 
ATOM   564  H  HD1  . HIS A 1 36 ? -7.89351  -3.87327  20.20590 1.000 13.74923 ? 56  HIS A HD1  1 
ATOM   565  H  HD2  . HIS A 1 36 ? -7.82317  -6.88427  22.68537 1.000 14.90265 ? 56  HIS A HD2  1 
ATOM   566  H  HE1  . HIS A 1 36 ? -5.87657  -5.03407  19.78160 1.000 14.50590 ? 56  HIS A HE1  1 
ATOM   567  N  N    . ALA A 1 37 ? -9.20443  -3.73787  24.97336 1.000 8.23605  ? 57  ALA A N    1 
ATOM   568  C  CA   . ALA A 1 37 ? -8.36944  -3.38497  26.11493 1.000 8.16210  ? 57  ALA A CA   1 
ATOM   569  C  C    . ALA A 1 37 ? -8.79708  -4.12783  27.37197 1.000 8.20347  ? 57  ALA A C    1 
ATOM   570  O  O    . ALA A 1 37 ? -7.94070  -4.58575  28.13261 1.000 8.33242  ? 57  ALA A O    1 
ATOM   571  C  CB   . ALA A 1 37 ? -8.44227  -1.88420  26.32670 1.000 8.19352  ? 57  ALA A CB   1 
ATOM   572  H  H    . ALA A 1 37 ? -9.62203  -3.07484  24.61896 1.000 9.89365  ? 57  ALA A H    1 
ATOM   573  H  HA   . ALA A 1 37 ? -7.44971  -3.63377  25.93299 1.000 9.80490  ? 57  ALA A HA   1 
ATOM   574  H  HB1  . ALA A 1 37 ? -7.94651  -1.65391  27.12800 1.000 9.84261  ? 57  ALA A HB1  1 
ATOM   575  H  HB2  . ALA A 1 37 ? -8.05438  -1.43760  25.55794 1.000 9.84261  ? 57  ALA A HB2  1 
ATOM   576  H  HB3  . ALA A 1 37 ? -9.37141  -1.62406  26.42637 1.000 9.84261  ? 57  ALA A HB3  1 
ATOM   577  N  N    . THR A 1 38 ? -10.10598 -4.24553  27.61785 1.000 8.84148  ? 58  THR A N    1 
ATOM   578  C  CA   . THR A 1 38 ? -10.57765 -4.94153  28.80966 1.000 9.60527  ? 58  THR A CA   1 
ATOM   579  C  C    . THR A 1 38 ? -10.20683 -6.41634  28.76017 1.000 9.45963  ? 58  THR A C    1 
ATOM   580  O  O    . THR A 1 38 ? -9.79482  -6.99685  29.76938 1.000 9.65824  ? 58  THR A O    1 
ATOM   581  C  CB   . THR A 1 38 ? -12.09352 -4.76154  28.93759 1.000 11.61827 ? 58  THR A CB   1 
ATOM   582  O  OG1  . THR A 1 38 ? -12.36401 -3.38200  29.18677 1.000 13.09803 ? 58  THR A OG1  1 
ATOM   583  C  CG2  . THR A 1 38 ? -12.67029 -5.61246  30.06377 1.000 13.00088 ? 58  THR A CG2  1 
ATOM   584  H  H    . THR A 1 38 ? -10.73079 -3.93449  27.11539 1.000 10.62017 ? 58  THR A H    1 
ATOM   585  H  HA   . THR A 1 38 ? -10.16054 -4.55791  29.59691 1.000 11.53671 ? 58  THR A HA   1 
ATOM   586  H  HB   . THR A 1 38 ? -12.52620 -5.04846  28.11822 1.000 13.95232 ? 58  THR A HB   1 
ATOM   587  H  HG1  . THR A 1 38 ? -13.19026 -3.23816  29.13964 1.000 15.72802 ? 58  THR A HG1  1 
ATOM   588  H  HG21 . THR A 1 38 ? -13.49284 -5.21609  30.39117 1.000 15.61145 ? 58  THR A HG21 1 
ATOM   589  H  HG22 . THR A 1 38 ? -12.85902 -6.50723  29.74023 1.000 15.61145 ? 58  THR A HG22 1 
ATOM   590  H  HG23 . THR A 1 38 ? -12.03549 -5.66949  30.79498 1.000 15.61145 ? 58  THR A HG23 1 
ATOM   591  N  N    . LYS A 1 39 ? -10.34719 -7.03815  27.58732 1.000 9.51919  ? 59  LYS A N    1 
ATOM   592  C  CA   A LYS A 1 39 ? -9.98795  -8.44545  27.45661 0.502 9.96376  ? 59  LYS A CA   1 
ATOM   593  C  CA   B LYS A 1 39 ? -9.98753  -8.44442  27.44999 0.498 9.99295  ? 59  LYS A CA   1 
ATOM   594  C  C    . LYS A 1 39 ? -8.50757  -8.65659  27.76698 1.000 9.28194  ? 59  LYS A C    1 
ATOM   595  O  O    . LYS A 1 39 ? -8.14410  -9.60375  28.48180 1.000 9.75480  ? 59  LYS A O    1 
ATOM   596  C  CB   A LYS A 1 39 ? -10.32240 -8.92306  26.04754 0.502 11.59080 ? 59  LYS A CB   1 
ATOM   597  C  CB   B LYS A 1 39 ? -10.32808 -8.90057  26.03054 0.498 11.68278 ? 59  LYS A CB   1 
ATOM   598  C  CG   A LYS A 1 39 ? -10.07799 -10.41599 25.79904 0.502 13.61378 ? 59  LYS A CG   1 
ATOM   599  C  CG   B LYS A 1 39 ? -9.94006  -10.31643 25.69433 0.498 13.88488 ? 59  LYS A CG   1 
ATOM   600  C  CD   A LYS A 1 39 ? -10.01324 -10.74949 24.31958 0.502 16.17036 ? 59  LYS A CD   1 
ATOM   601  C  CD   B LYS A 1 39 ? -10.78706 -10.82570 24.50144 0.498 16.74151 ? 59  LYS A CD   1 
ATOM   602  C  CE   A LYS A 1 39 ? -8.83038  -10.13583 23.56086 0.502 19.25813 ? 59  LYS A CE   1 
ATOM   603  C  CE   B LYS A 1 39 ? -12.04367 -11.60308 24.94235 0.498 19.49632 ? 59  LYS A CE   1 
ATOM   604  N  NZ   A LYS A 1 39 ? -7.59137  -9.84289  24.32192 0.502 21.09299 ? 59  LYS A NZ   1 
ATOM   605  N  NZ   B LYS A 1 39 ? -13.25138 -11.47244 24.06953 0.498 20.79412 ? 59  LYS A NZ   1 
ATOM   606  H  H    . LYS A 1 39 ? -10.64230 -6.67617  26.86518 1.000 11.43341 ? 59  LYS A H    1 
ATOM   607  H  HA   . LYS A 1 39 ? -10.50283 -8.97507  28.08534 1.000 12.00193 ? 59  LYS A HA   1 
ATOM   608  H  HB2  A LYS A 1 39 ? -11.26164 -8.74928  25.87861 0.502 13.91934 ? 59  LYS A HB2  1 
ATOM   609  H  HB2  B LYS A 1 39 ? -11.28759 -8.82740  25.90853 0.498 14.02973 ? 59  LYS A HB2  1 
ATOM   610  H  HB3  A LYS A 1 39 ? -9.77502  -8.42910  25.41723 0.502 13.91934 ? 59  LYS A HB3  1 
ATOM   611  H  HB3  B LYS A 1 39 ? -9.86877  -8.31894  25.40473 0.498 14.02973 ? 59  LYS A HB3  1 
ATOM   612  H  HG2  A LYS A 1 39 ? -9.23422  -10.67211 26.20321 0.502 16.34693 ? 59  LYS A HG2  1 
ATOM   613  H  HG2  B LYS A 1 39 ? -9.00260  -10.34918 25.44737 0.498 16.67224 ? 59  LYS A HG2  1 
ATOM   614  H  HG3  A LYS A 1 39 ? -10.80275 -10.92704 26.19203 0.502 16.34693 ? 59  LYS A HG3  1 
ATOM   615  H  HG3  B LYS A 1 39 ? -10.10192 -10.89070 26.45913 0.498 16.67224 ? 59  LYS A HG3  1 
ATOM   616  H  HD2  A LYS A 1 39 ? -9.94852  -11.71268 24.22483 0.502 19.41482 ? 59  LYS A HD2  1 
ATOM   617  H  HD2  B LYS A 1 39 ? -11.07656 -10.06566 23.97283 0.498 20.10020 ? 59  LYS A HD2  1 
ATOM   618  H  HD3  A LYS A 1 39 ? -10.82513 -10.42837 23.89695 0.502 19.41482 ? 59  LYS A HD3  1 
ATOM   619  H  HD3  B LYS A 1 39 ? -10.24394 -11.41916 23.95948 0.498 20.10020 ? 59  LYS A HD3  1 
ATOM   620  H  HE2  A LYS A 1 39 ? -8.58184  -10.75065 22.85296 0.502 23.12015 ? 59  LYS A HE2  1 
ATOM   621  H  HE2  B LYS A 1 39 ? -11.81874 -12.54605 24.97561 0.498 23.40597 ? 59  LYS A HE2  1 
ATOM   622  H  HE3  A LYS A 1 39 ? -9.12730  -9.29440  23.18042 0.502 23.12015 ? 59  LYS A HE3  1 
ATOM   623  H  HE3  B LYS A 1 39 ? -12.29699 -11.29110 25.82519 0.498 23.40597 ? 59  LYS A HE3  1 
ATOM   624  H  HZ1  A LYS A 1 39 ? -7.78538  -9.36448  25.04689 0.502 25.32198 ? 59  LYS A HZ1  1 
ATOM   625  H  HZ1  B LYS A 1 39 ? -13.72897 -10.76266 24.31493 0.498 24.96333 ? 59  LYS A HZ1  1 
ATOM   626  H  HZ2  A LYS A 1 39 ? -7.20155  -10.60257 24.57296 0.502 25.32198 ? 59  LYS A HZ2  1 
ATOM   627  H  HZ2  B LYS A 1 39 ? -13.00401 -11.37453 23.22022 0.498 24.96333 ? 59  LYS A HZ2  1 
ATOM   628  H  HZ3  A LYS A 1 39 ? -7.02439  -9.38126  23.81444 0.502 25.32198 ? 59  LYS A HZ3  1 
ATOM   629  H  HZ3  B LYS A 1 39 ? -13.75848 -12.20039 24.14058 0.498 24.96333 ? 59  LYS A HZ3  1 
ATOM   630  N  N    . LEU A 1 40 ? -7.64392  -7.78302  27.25269 1.000 8.50827  ? 60  LEU A N    1 
ATOM   631  C  CA   . LEU A 1 40 ? -6.21725  -7.90532  27.52944 1.000 8.03123  ? 60  LEU A CA   1 
ATOM   632  C  C    . LEU A 1 40 ? -5.92086  -7.68669  29.00079 1.000 8.06731  ? 60  LEU A C    1 
ATOM   633  O  O    . LEU A 1 40 ? -5.11780  -8.41677  29.58596 1.000 8.37748  ? 60  LEU A O    1 
ATOM   634  C  CB   . LEU A 1 40 ? -5.41373  -6.92648  26.68114 1.000 8.28115  ? 60  LEU A CB   1 
ATOM   635  C  CG   . LEU A 1 40 ? -5.36663  -7.20095  25.19733 1.000 9.08223  ? 60  LEU A CG   1 
ATOM   636  C  CD1  . LEU A 1 40 ? -4.67988  -6.05626  24.46694 1.000 9.85992  ? 60  LEU A CD1  1 
ATOM   637  C  CD2  . LEU A 1 40 ? -4.62932  -8.51062  24.89431 1.000 10.87241 ? 60  LEU A CD2  1 
ATOM   638  H  H    . LEU A 1 40 ? -7.85555  -7.11994  26.74757 1.000 10.22031 ? 60  LEU A H    1 
ATOM   639  H  HA   . LEU A 1 40 ? -5.94029  -8.80309  27.28821 1.000 9.64786  ? 60  LEU A HA   1 
ATOM   640  H  HB2  . LEU A 1 40 ? -5.79887  -6.04360  26.79548 1.000 9.94777  ? 60  LEU A HB2  1 
ATOM   641  H  HB3  . LEU A 1 40 ? -4.49811  -6.93302  27.00129 1.000 9.94777  ? 60  LEU A HB3  1 
ATOM   642  H  HG   . LEU A 1 40 ? -6.27884  -7.28371  24.87808 1.000 10.90906 ? 60  LEU A HG   1 
ATOM   643  H  HD11 . LEU A 1 40 ? -4.73127  -6.21531  23.51145 1.000 11.84229 ? 60  LEU A HD11 1 
ATOM   644  H  HD12 . LEU A 1 40 ? -5.12900  -5.22557  24.68863 1.000 11.84229 ? 60  LEU A HD12 1 
ATOM   645  H  HD13 . LEU A 1 40 ? -3.75180  -6.01521  24.74600 1.000 11.84229 ? 60  LEU A HD13 1 
ATOM   646  H  HD21 . LEU A 1 40 ? -4.49250  -8.58172  23.93665 1.000 13.05727 ? 60  LEU A HD21 1 
ATOM   647  H  HD22 . LEU A 1 40 ? -3.77365  -8.50430  25.35113 1.000 13.05727 ? 60  LEU A HD22 1 
ATOM   648  H  HD23 . LEU A 1 40 ? -5.16622  -9.25513  25.20792 1.000 13.05727 ? 60  LEU A HD23 1 
ATOM   649  N  N    . MET A 1 41 ? -6.54047  -6.67442  29.61688 1.000 7.95613  ? 61  MET A N    1 
ATOM   650  C  CA   . MET A 1 41 ? -6.34824  -6.42016  31.03328 1.000 8.06517  ? 61  MET A CA   1 
ATOM   651  C  C    . MET A 1 41 ? -6.72432  -7.65712  31.83875 1.000 8.29021  ? 61  MET A C    1 
ATOM   652  O  O    . MET A 1 41 ? -6.02925  -8.03618  32.78750 1.000 8.67557  ? 61  MET A O    1 
ATOM   653  C  CB   . MET A 1 41 ? -7.15674  -5.17869  31.43034 1.000 8.35365  ? 61  MET A CB   1 
ATOM   654  C  CG   . MET A 1 41 ? -7.13496  -4.86132  32.91476 1.000 9.24012  ? 61  MET A CG   1 
ATOM   655  S  SD   . MET A 1 41 ? -8.26958  -5.82288  33.92826 1.000 10.21388 ? 61  MET A SD   1 
ATOM   656  C  CE   . MET A 1 41 ? -9.83078  -5.10266  33.42957 1.000 11.33770 ? 61  MET A CE   1 
ATOM   657  H  H    . MET A 1 41 ? -7.07651  -6.12342  29.23131 1.000 9.55775  ? 61  MET A H    1 
ATOM   658  H  HA   . MET A 1 41 ? -5.41915  -6.21754  31.22470 1.000 9.68859  ? 61  MET A HA   1 
ATOM   659  H  HB2  . MET A 1 41 ? -6.79420  -4.41093  30.96128 1.000 10.03476 ? 61  MET A HB2  1 
ATOM   660  H  HB3  . MET A 1 41 ? -8.08190  -5.31758  31.17401 1.000 10.03476 ? 61  MET A HB3  1 
ATOM   661  H  HG2  . MET A 1 41 ? -6.23942  -5.02565  33.24930 1.000 11.09853 ? 61  MET A HG2  1 
ATOM   662  H  HG3  . MET A 1 41 ? -7.36611  -3.92644  33.03083 1.000 11.09853 ? 61  MET A HG3  1 
ATOM   663  H  HE1  . MET A 1 41 ? -10.53986 -5.47658  33.97573 1.000 13.61563 ? 61  MET A HE1  1 
ATOM   664  H  HE2  . MET A 1 41 ? -9.78927  -4.14156  33.55399 1.000 13.61563 ? 61  MET A HE2  1 
ATOM   665  H  HE3  . MET A 1 41 ? -9.98944  -5.30867  32.49507 1.000 13.61563 ? 61  MET A HE3  1 
ATOM   666  N  N    . LEU A 1 42 ? -7.86954  -8.25530  31.51622 1.000 8.94855  ? 62  LEU A N    1 
ATOM   667  C  CA   . LEU A 1 42 ? -8.32579  -9.40780  32.27834 1.000 9.85885  ? 62  LEU A CA   1 
ATOM   668  C  C    . LEU A 1 42 ? -7.41331  -10.60220 32.06353 1.000 9.44838  ? 62  LEU A C    1 
ATOM   669  O  O    . LEU A 1 42 ? -7.22236  -11.39441 32.98174 1.000 10.24924 ? 62  LEU A O    1 
ATOM   670  C  CB   . LEU A 1 42 ? -9.77011  -9.73930  31.92493 1.000 10.95350 ? 62  LEU A CB   1 
ATOM   671  C  CG   . LEU A 1 42 ? -10.82096 -8.76577  32.46083 1.000 12.29026 ? 62  LEU A CG   1 
ATOM   672  C  CD1  . LEU A 1 42 ? -12.17325 -9.05872  31.83100 1.000 13.80318 ? 62  LEU A CD1  1 
ATOM   673  C  CD2  . LEU A 1 42 ? -10.92406 -8.80333  33.97036 1.000 13.72987 ? 62  LEU A CD2  1 
ATOM   674  H  H    . LEU A 1 42 ? -8.38885  -8.01693  30.87350 1.000 10.74865 ? 62  LEU A H    1 
ATOM   675  H  HA   . LEU A 1 42 ? -8.31094  -9.19287  33.22411 1.000 11.84100 ? 62  LEU A HA   1 
ATOM   676  H  HB2  . LEU A 1 42 ? -9.85196  -9.74974  30.95844 1.000 13.15459 ? 62  LEU A HB2  1 
ATOM   677  H  HB3  . LEU A 1 42 ? -9.97777  -10.61575 32.28495 1.000 13.15459 ? 62  LEU A HB3  1 
ATOM   678  H  HG   . LEU A 1 42 ? -10.54568 -7.86697  32.22151 1.000 14.75870 ? 62  LEU A HG   1 
ATOM   679  H  HD11 . LEU A 1 42 ? -12.82448 -8.42629  32.17281 1.000 16.57421 ? 62  LEU A HD11 1 
ATOM   680  H  HD12 . LEU A 1 42 ? -12.09913 -8.96926  30.86798 1.000 16.57421 ? 62  LEU A HD12 1 
ATOM   681  H  HD13 . LEU A 1 42 ? -12.43886 -9.96318  32.05972 1.000 16.57421 ? 62  LEU A HD13 1 
ATOM   682  H  HD21 . LEU A 1 42 ? -11.71442 -8.31274  34.24522 1.000 16.48623 ? 62  LEU A HD21 1 
ATOM   683  H  HD22 . LEU A 1 42 ? -10.99080 -9.72684  34.25946 1.000 16.48623 ? 62  LEU A HD22 1 
ATOM   684  H  HD23 . LEU A 1 42 ? -10.13149 -8.39392  34.35131 1.000 16.48623 ? 62  LEU A HD23 1 
ATOM   685  N  N    . GLN A 1 43 ? -6.83977  -10.73645 30.87692 1.000 9.11757  ? 63  GLN A N    1 
ATOM   686  C  CA   . GLN A 1 43 ? -5.88418  -11.80658 30.64554 1.000 9.61630  ? 63  GLN A CA   1 
ATOM   687  C  C    . GLN A 1 43 ? -4.64355  -11.61872 31.49519 1.000 9.31567  ? 63  GLN A C    1 
ATOM   688  O  O    . GLN A 1 43 ? -4.14231  -12.59031 32.07160 1.000 10.21781 ? 63  GLN A O    1 
ATOM   689  C  CB   . GLN A 1 43 ? -5.51101  -11.87399 29.16417 1.000 10.22525 ? 63  GLN A CB   1 
ATOM   690  C  CG   . GLN A 1 43 ? -4.64053  -13.06694 28.80889 1.000 12.91384 ? 63  GLN A CG   1 
ATOM   691  C  CD   . GLN A 1 43 ? -4.29523  -13.14594 27.35606 1.000 15.38114 ? 63  GLN A CD   1 
ATOM   692  O  OE1  . GLN A 1 43 ? -4.60980  -12.24461 26.56558 1.000 15.82441 ? 63  GLN A OE1  1 
ATOM   693  N  NE2  . GLN A 1 43 ? -3.63116  -14.22383 26.97887 1.000 17.59629 ? 63  GLN A NE2  1 
ATOM   694  H  H    . GLN A 1 43 ? -6.98413  -10.22864 30.19803 1.000 10.95147 ? 63  GLN A H    1 
ATOM   695  H  HA   . GLN A 1 43 ? -6.29665  -12.65058 30.88725 1.000 11.54995 ? 63  GLN A HA   1 
ATOM   696  H  HB2  . GLN A 1 43 ? -6.32474  -11.93388 28.63962 1.000 12.28069 ? 63  GLN A HB2  1 
ATOM   697  H  HB3  . GLN A 1 43 ? -5.02268  -11.06975 28.92829 1.000 12.28069 ? 63  GLN A HB3  1 
ATOM   698  H  HG2  . GLN A 1 43 ? -3.81071  -13.00811 29.30775 1.000 15.50700 ? 63  GLN A HG2  1 
ATOM   699  H  HG3  . GLN A 1 43 ? -5.11301  -13.88033 29.04566 1.000 15.50700 ? 63  GLN A HG3  1 
ATOM   700  H  HE21 . GLN A 1 43 ? -3.42446  -14.82586 27.55718 1.000 21.12593 ? 63  GLN A HE21 1 
ATOM   701  H  HE22 . GLN A 1 43 ? -3.40553  -14.32352 26.15500 1.000 21.12593 ? 63  GLN A HE22 1 
ATOM   702  N  N    . VAL A 1 44 ? -4.13010  -10.38815 31.58020 1.000 9.01415  ? 64  VAL A N    1 
ATOM   703  C  CA   . VAL A 1 44 ? -3.00498  -10.12796 32.47613 1.000 8.98850  ? 64  VAL A CA   1 
ATOM   704  C  C    . VAL A 1 44 ? -3.35534  -10.53941 33.90453 1.000 9.37734  ? 64  VAL A C    1 
ATOM   705  O  O    . VAL A 1 44 ? -2.59336  -11.22951 34.58724 1.000 10.14323 ? 64  VAL A O    1 
ATOM   706  C  CB   . VAL A 1 44 ? -2.61281  -8.63975  32.42402 1.000 9.05498  ? 64  VAL A CB   1 
ATOM   707  C  CG1  . VAL A 1 44 ? -1.55739  -8.34312  33.48721 1.000 10.77413 ? 64  VAL A CG1  1 
ATOM   708  C  CG2  . VAL A 1 44 ? -2.08352  -8.22687  31.04903 1.000 9.35426  ? 64  VAL A CG2  1 
ATOM   709  H  H    . VAL A 1 44 ? -4.40911  -9.70409  31.13997 1.000 10.82737 ? 64  VAL A H    1 
ATOM   710  H  HA   . VAL A 1 44 ? -2.25100  -10.66023 32.17764 1.000 10.79658 ? 64  VAL A HA   1 
ATOM   711  H  HB   . VAL A 1 44 ? -3.41241  -8.11841  32.59649 1.000 10.87636 ? 64  VAL A HB   1 
ATOM   712  H  HG11 . VAL A 1 44 ? -1.06353  -7.54917  33.22907 1.000 12.93934 ? 64  VAL A HG11 1 
ATOM   713  H  HG12 . VAL A 1 44 ? -1.99906  -8.19582  34.33818 1.000 12.93934 ? 64  VAL A HG12 1 
ATOM   714  H  HG13 . VAL A 1 44 ? -0.95485  -9.10034  33.55397 1.000 12.93934 ? 64  VAL A HG13 1 
ATOM   715  H  HG21 . VAL A 1 44 ? -1.92668  -7.26964  31.04542 1.000 11.23550 ? 64  VAL A HG21 1 
ATOM   716  H  HG22 . VAL A 1 44 ? -1.25398  -8.69863  30.87527 1.000 11.23550 ? 64  VAL A HG22 1 
ATOM   717  H  HG23 . VAL A 1 44 ? -2.74218  -8.45669  30.37505 1.000 11.23550 ? 64  VAL A HG23 1 
ATOM   718  N  N    . HIS A 1 45 ? -4.54013  -10.14349 34.34918 1.000 10.10519 ? 65  HIS A N    1 
ATOM   719  C  CA   A HIS A 1 45 ? -4.93727  -10.35070 35.72955 0.582 12.17985 ? 65  HIS A CA   1 
ATOM   720  C  CA   B HIS A 1 45 ? -4.93103  -10.34242 35.73782 0.418 9.86310  ? 65  HIS A CA   1 
ATOM   721  C  C    . HIS A 1 45 ? -5.22482  -11.81100 36.04217 1.000 11.35719 ? 65  HIS A C    1 
ATOM   722  O  O    . HIS A 1 45 ? -4.92476  -12.27711 37.14391 1.000 12.82635 ? 65  HIS A O    1 
ATOM   723  C  CB   A HIS A 1 45 ? -6.17842  -9.50549  35.97454 0.582 16.19608 ? 65  HIS A CB   1 
ATOM   724  C  CB   B HIS A 1 45 ? -6.06780  -9.36415  36.08480 0.418 9.51582  ? 65  HIS A CB   1 
ATOM   725  C  CG   A HIS A 1 45 ? -6.40429  -9.18624  37.40417 0.582 20.48082 ? 65  HIS A CG   1 
ATOM   726  C  CG   B HIS A 1 45 ? -7.10873  -9.92101  36.97966 0.418 9.94806  ? 65  HIS A CG   1 
ATOM   727  N  ND1  A HIS A 1 45 ? -7.46926  -9.69026  38.11253 0.582 22.63815 ? 65  HIS A ND1  1 
ATOM   728  N  ND1  B HIS A 1 45 ? -7.00662  -9.92230  38.35391 0.418 10.86322 ? 65  HIS A ND1  1 
ATOM   729  C  CD2  A HIS A 1 45 ? -5.70874  -8.40591  38.26105 0.582 22.55107 ? 65  HIS A CD2  1 
ATOM   730  C  CD2  B HIS A 1 45 ? -8.29617  -10.48998 36.67739 0.418 10.52473 ? 65  HIS A CD2  1 
ATOM   731  C  CE1  A HIS A 1 45 ? -7.41621  -9.23978  39.35062 0.582 23.47230 ? 65  HIS A CE1  1 
ATOM   732  C  CE1  B HIS A 1 45 ? -8.09623  -10.47698 38.85658 0.418 11.35655 ? 65  HIS A CE1  1 
ATOM   733  N  NE2  A HIS A 1 45 ? -6.35963  -8.45597  39.46595 0.582 23.33402 ? 65  HIS A NE2  1 
ATOM   734  N  NE2  B HIS A 1 45 ? -8.89099  -10.83114 37.86007 0.418 11.53103 ? 65  HIS A NE2  1 
ATOM   735  H  H    A HIS A 1 45 ? -5.13520  -9.75032  33.86864 0.582 12.13662 ? 65  HIS A H    1 
ATOM   736  H  H    B HIS A 1 45 ? -5.13829  -9.75626  33.86766 0.418 12.13662 ? 65  HIS A H    1 
ATOM   737  H  HA   . HIS A 1 45 ? -4.22091  -10.07853 36.32423 1.000 11.84611 ? 65  HIS A HA   1 
ATOM   738  H  HB2  A HIS A 1 45 ? -6.08621  -8.66786  35.49415 0.582 19.44569 ? 65  HIS A HB2  1 
ATOM   739  H  HB2  B HIS A 1 45 ? -5.68494  -8.59057  36.52739 0.418 11.42938 ? 65  HIS A HB2  1 
ATOM   740  H  HB3  A HIS A 1 45 ? -6.95488  -9.98919  35.65197 0.582 19.44569 ? 65  HIS A HB3  1 
ATOM   741  H  HB3  B HIS A 1 45 ? -6.50396  -9.09340  35.26178 0.418 11.42938 ? 65  HIS A HB3  1 
ATOM   742  H  HD1  A HIS A 1 45 ? -8.07348  -10.21543 37.79835 0.582 27.17617 ? 65  HIS A HD1  1 
ATOM   743  H  HD2  A HIS A 1 45 ? -4.93542  -7.92620  38.06936 0.582 27.07167 ? 65  HIS A HD2  1 
ATOM   744  H  HD2  B HIS A 1 45 ? -8.64355  -10.62429 35.82523 0.418 12.64006 ? 65  HIS A HD2  1 
ATOM   745  H  HE1  A HIS A 1 45 ? -8.02081  -9.44019  40.02826 0.582 28.17715 ? 65  HIS A HE1  1 
ATOM   746  H  HE1  B HIS A 1 45 ? -8.27458  -10.59819 39.76123 0.418 13.63825 ? 65  HIS A HE1  1 
ATOM   747  H  HE2  B HIS A 1 45 ? -9.65683  -11.21356 37.94276 0.418 13.84763 ? 65  HIS A HE2  1 
ATOM   748  N  N    . ASN A 1 46 ? -5.77990  -12.56097 35.08725 1.000 11.10874 ? 66  ASN A N    1 
ATOM   749  C  CA   . ASN A 1 46 ? -6.20185  -13.94181 35.32043 1.000 12.40378 ? 66  ASN A CA   1 
ATOM   750  C  C    . ASN A 1 46 ? -5.17565  -14.98278 34.91394 1.000 12.77791 ? 66  ASN A C    1 
ATOM   751  O  O    . ASN A 1 46 ? -5.21192  -16.08966 35.45306 1.000 15.02676 ? 66  ASN A O    1 
ATOM   752  C  CB   . ASN A 1 46 ? -7.53149  -14.21147 34.60862 1.000 13.49599 ? 66  ASN A CB   1 
ATOM   753  C  CG   . ASN A 1 46 ? -8.70445  -13.63946 35.36389 1.000 14.09838 ? 66  ASN A CG   1 
ATOM   754  O  OD1  . ASN A 1 46 ? -8.84867  -13.88399 36.56807 1.000 16.33464 ? 66  ASN A OD1  1 
ATOM   755  N  ND2  . ASN A 1 46 ? -9.55393  -12.89167 34.67779 1.000 13.99291 ? 66  ASN A ND2  1 
ATOM   756  H  H    . ASN A 1 46 ? -5.92431  -12.28769 34.28472 1.000 13.34088 ? 66  ASN A H    1 
ATOM   757  H  HA   . ASN A 1 46 ? -6.34876  -14.06197 36.27168 1.000 14.89492 ? 66  ASN A HA   1 
ATOM   758  H  HB2  . ASN A 1 46 ? -7.51024  -13.80418 33.72852 1.000 16.20557 ? 66  ASN A HB2  1 
ATOM   759  H  HB3  . ASN A 1 46 ? -7.66129  -15.16935 34.52785 1.000 16.20557 ? 66  ASN A HB3  1 
ATOM   760  H  HD21 . ASN A 1 46 ? -10.23661 -12.54602 35.07030 1.000 16.80188 ? 66  ASN A HD21 1 
ATOM   761  H  HD22 . ASN A 1 46 ? -9.42325  -12.75140 33.83943 1.000 16.80188 ? 66  ASN A HD22 1 
ATOM   762  N  N    . GLU A 1 47 ? -4.29131  -14.67212 33.96913 1.000 12.06098 ? 67  GLU A N    1 
ATOM   763  C  CA   . GLU A 1 47 ? -3.24315  -15.58614 33.53177 1.000 11.94569 ? 67  GLU A CA   1 
ATOM   764  C  C    . GLU A 1 47 ? -1.86255  -15.18782 33.99407 1.000 11.94289 ? 67  GLU A C    1 
ATOM   765  O  O    . GLU A 1 47 ? -0.92973  -15.98599 33.86074 1.000 14.24817 ? 67  GLU A O    1 
ATOM   766  C  CB   . GLU A 1 47 ? -3.23891  -15.71246 32.00925 1.000 13.35238 ? 67  GLU A CB   1 
ATOM   767  C  CG   . GLU A 1 47 ? -4.60091  -16.02939 31.41969 1.000 15.40594 ? 67  GLU A CG   1 
ATOM   768  C  CD   . GLU A 1 47 ? -5.24091  -17.24032 32.04845 1.000 17.59822 ? 67  GLU A CD   1 
ATOM   769  O  OE1  . GLU A 1 47 ? -4.52786  -18.25488 32.23092 1.000 18.92604 ? 67  GLU A OE1  1 
ATOM   770  O  OE2  . GLU A 1 47 ? -6.43692  -17.17169 32.40398 1.000 18.76341 ? 67  GLU A OE2  1 
ATOM   771  H  H    . GLU A 1 47 ? -4.27852  -13.91776 33.55635 1.000 14.48356 ? 67  GLU A H    1 
ATOM   772  H  HA   . GLU A 1 47 ? -3.43705  -16.46268 33.89917 1.000 14.34521 ? 67  GLU A HA   1 
ATOM   773  H  HB2  . GLU A 1 47 ? -2.93872  -14.87285 31.62734 1.000 16.03325 ? 67  GLU A HB2  1 
ATOM   774  H  HB3  . GLU A 1 47 ? -2.63327  -16.42697 31.75712 1.000 16.03325 ? 67  GLU A HB3  1 
ATOM   775  H  HG2  . GLU A 1 47 ? -5.19017  -15.27178 31.56008 1.000 18.49752 ? 67  GLU A HG2  1 
ATOM   776  H  HG3  . GLU A 1 47 ? -4.50210  -16.20135 30.47019 1.000 18.49752 ? 67  GLU A HG3  1 
ATOM   777  N  N    . GLY A 1 48 ? -1.70473  -13.96884 34.49322 1.000 10.67832 ? 68  GLY A N    1 
ATOM   778  C  CA   . GLY A 1 48 ? -0.45148  -13.46456 34.97403 1.000 10.61746 ? 68  GLY A CA   1 
ATOM   779  C  C    . GLY A 1 48 ? 0.29798   -12.62057 33.97174 1.000 9.63423  ? 68  GLY A C    1 
ATOM   780  O  O    . GLY A 1 48 ? 1.21517   -11.91148 34.35956 1.000 9.90714  ? 68  GLY A O    1 
ATOM   781  H  H    . GLY A 1 48 ? -2.34469  -13.39846 34.56196 1.000 12.82437 ? 68  GLY A H    1 
ATOM   782  H  HA2  . GLY A 1 48 ? -0.61303  -12.92122 35.76116 1.000 12.75134 ? 68  GLY A HA2  1 
ATOM   783  H  HA3  . GLY A 1 48 ? 0.11522   -14.21309 35.21787 1.000 12.75134 ? 68  GLY A HA3  1 
ATOM   784  N  N    . LYS A 1 49 ? -0.04506  -12.72067 32.69314 1.000 9.46850  ? 69  LYS A N    1 
ATOM   785  C  CA   . LYS A 1 49 ? 0.61812   -11.98349 31.63907 1.000 9.50879  ? 69  LYS A CA   1 
ATOM   786  C  C    . LYS A 1 49 ? -0.27478  -12.01839 30.41547 1.000 8.87582  ? 69  LYS A C    1 
ATOM   787  O  O    . LYS A 1 49 ? -1.13681  -12.88818 30.28537 1.000 10.10307 ? 69  LYS A O    1 
ATOM   788  C  CB   . LYS A 1 49 ? 1.99046   -12.57151 31.29039 1.000 11.66648 ? 69  LYS A CB   1 
ATOM   789  C  CG   . LYS A 1 49 ? 1.95807   -13.93918 30.57749 1.000 15.92978 ? 69  LYS A CG   1 
ATOM   790  C  CD   . LYS A 1 49 ? 3.35062   -14.50334 30.37631 1.000 20.32680 ? 69  LYS A CD   1 
ATOM   791  C  CE   . LYS A 1 49 ? 3.39027   -15.56815 29.28031 1.000 23.97620 ? 69  LYS A CE   1 
ATOM   792  N  NZ   . LYS A 1 49 ? 4.76719   -16.09018 29.05216 1.000 26.09852 ? 69  LYS A NZ   1 
ATOM   793  H  H    . LYS A 1 49 ? -0.67911  -13.22583 32.40609 1.000 11.37259 ? 69  LYS A H    1 
ATOM   794  H  HA   . LYS A 1 49 ? 0.74727   -11.06674 31.92855 1.000 11.42093 ? 69  LYS A HA   1 
ATOM   795  H  HB2  . LYS A 1 49 ? 2.44977   -11.94995 30.70421 1.000 14.01016 ? 69  LYS A HB2  1 
ATOM   796  H  HB3  . LYS A 1 49 ? 2.49262   -12.68503 32.11249 1.000 14.01016 ? 69  LYS A HB3  1 
ATOM   797  H  HG2  . LYS A 1 49 ? 1.45060   -14.56790 31.11423 1.000 19.12612 ? 69  LYS A HG2  1 
ATOM   798  H  HG3  . LYS A 1 49 ? 1.54361   -13.83634 29.70654 1.000 19.12612 ? 69  LYS A HG3  1 
ATOM   799  H  HD2  . LYS A 1 49 ? 3.95136   -13.78560 30.12163 1.000 24.40255 ? 69  LYS A HD2  1 
ATOM   800  H  HD3  . LYS A 1 49 ? 3.65198   -14.91039 31.20359 1.000 24.40255 ? 69  LYS A HD3  1 
ATOM   801  H  HE2  . LYS A 1 49 ? 2.82403   -16.31220 29.53853 1.000 28.78182 ? 69  LYS A HE2  1 
ATOM   802  H  HE3  . LYS A 1 49 ? 3.07209   -15.18189 28.44937 1.000 28.78182 ? 69  LYS A HE3  1 
ATOM   803  H  HZ1  . LYS A 1 49 ? 4.74352   -16.77144 28.47995 1.000 31.32861 ? 69  LYS A HZ1  1 
ATOM   804  H  HZ2  . LYS A 1 49 ? 5.28421   -15.44847 28.71601 1.000 31.32861 ? 69  LYS A HZ2  1 
ATOM   805  H  HZ3  . LYS A 1 49 ? 5.11766   -16.37055 29.82071 1.000 31.32861 ? 69  LYS A HZ3  1 
ATOM   806  N  N    . ALA A 1 50 ? 0.01727   -11.13944 29.46662 1.000 8.78753  ? 70  ALA A N    1 
ATOM   807  C  CA   . ALA A 1 50 ? -0.63699  -11.18648 28.16752 1.000 8.87273  ? 70  ALA A CA   1 
ATOM   808  C  C    . ALA A 1 50 ? 0.24240   -10.51669 27.13125 1.000 8.24427  ? 70  ALA A C    1 
ATOM   809  O  O    . ALA A 1 50 ? 0.85305   -9.48447  27.40667 1.000 8.17693  ? 70  ALA A O    1 
ATOM   810  C  CB   . ALA A 1 50 ? -1.98850  -10.45713 28.19217 1.000 10.13159 ? 70  ALA A CB   1 
ATOM   811  H  H    . ALA A 1 50 ? 0.59180   -10.50504 29.55058 1.000 10.55542 ? 70  ALA A H    1 
ATOM   812  H  HA   . ALA A 1 50 ? -0.76729  -12.11713 27.92708 1.000 10.65767 ? 70  ALA A HA   1 
ATOM   813  H  HB1  . ALA A 1 50 ? -2.40300  -10.53063 27.31828 1.000 12.16830 ? 70  ALA A HB1  1 
ATOM   814  H  HB2  . ALA A 1 50 ? -2.55641  -10.86713 28.86319 1.000 12.16830 ? 70  ALA A HB2  1 
ATOM   815  H  HB3  . ALA A 1 50 ? -1.83971  -9.52374  28.41024 1.000 12.16830 ? 70  ALA A HB3  1 
ATOM   816  N  N    . VAL A 1 51 ? 0.24333   -11.05838 25.91828 1.000 8.92797  ? 71  VAL A N    1 
ATOM   817  C  CA   . VAL A 1 51 ? 0.76931   -10.34491 24.76226 1.000 8.48907  ? 71  VAL A CA   1 
ATOM   818  C  C    . VAL A 1 51 ? -0.19397  -9.21577  24.43372 1.000 8.40433  ? 71  VAL A C    1 
ATOM   819  O  O    . VAL A 1 51 ? -1.38204  -9.46232  24.20470 1.000 10.14237 ? 71  VAL A O    1 
ATOM   820  C  CB   . VAL A 1 51 ? 0.92036   -11.28755 23.56250 1.000 9.54231  ? 71  VAL A CB   1 
ATOM   821  C  CG1  . VAL A 1 51 ? 1.24465   -10.49245 22.30880 1.000 10.25342 ? 71  VAL A CG1  1 
ATOM   822  C  CG2  . VAL A 1 51 ? 1.99174   -12.33051 23.82917 1.000 10.76780 ? 71  VAL A CG2  1 
ATOM   823  H  H    . VAL A 1 51 ? -0.05721  -11.84351 25.73705 1.000 10.72395 ? 71  VAL A H    1 
ATOM   824  H  HA   . VAL A 1 51 ? 1.64066   -9.97619  24.97600 1.000 10.19727 ? 71  VAL A HA   1 
ATOM   825  H  HB   . VAL A 1 51 ? 0.08160   -11.75372 23.42088 1.000 11.46115 ? 71  VAL A HB   1 
ATOM   826  H  HG11 . VAL A 1 51 ? 1.69680   -11.07171 21.67561 1.000 12.31449 ? 71  VAL A HG11 1 
ATOM   827  H  HG12 . VAL A 1 51 ? 0.41887   -10.16100 21.92263 1.000 12.31449 ? 71  VAL A HG12 1 
ATOM   828  H  HG13 . VAL A 1 51 ? 1.82046   -9.74893  22.54651 1.000 12.31449 ? 71  VAL A HG13 1 
ATOM   829  H  HG21 . VAL A 1 51 ? 2.03469   -12.93909 23.07505 1.000 12.93175 ? 71  VAL A HG21 1 
ATOM   830  H  HG22 . VAL A 1 51 ? 2.84543   -11.88429 23.94315 1.000 12.93175 ? 71  VAL A HG22 1 
ATOM   831  H  HG23 . VAL A 1 51 ? 1.76341   -12.81874 24.63564 1.000 12.93175 ? 71  VAL A HG23 1 
ATOM   832  N  N    . VAL A 1 52 ? 0.31884   -7.99148  24.39482 1.000 7.92041  ? 72  VAL A N    1 
ATOM   833  C  CA   . VAL A 1 52 ? -0.49906  -6.81721  24.13823 1.000 8.09724  ? 72  VAL A CA   1 
ATOM   834  C  C    . VAL A 1 52 ? -0.24413  -6.19120  22.78131 1.000 9.12495  ? 72  VAL A C    1 
ATOM   835  O  O    . VAL A 1 52 ? -1.08497  -5.40386  22.33308 1.000 10.60568 ? 72  VAL A O    1 
ATOM   836  C  CB   . VAL A 1 52 ? -0.39022  -5.75885  25.25198 1.000 8.44733  ? 72  VAL A CB   1 
ATOM   837  C  CG1  . VAL A 1 52 ? -0.82711  -6.34523  26.57986 1.000 8.78599  ? 72  VAL A CG1  1 
ATOM   838  C  CG2  . VAL A 1 52 ? 1.00565   -5.15831  25.34831 1.000 8.84948  ? 72  VAL A CG2  1 
ATOM   839  H  H    . VAL A 1 52 ? 1.15143   -7.81347  24.51607 1.000 9.51488  ? 72  VAL A H    1 
ATOM   840  H  HA   . VAL A 1 52 ? -1.42223  -7.11495  24.13870 1.000 9.72708  ? 72  VAL A HA   1 
ATOM   841  H  HB   . VAL A 1 52 ? -0.98604  -5.02746  25.02621 1.000 10.14718 ? 72  VAL A HB   1 
ATOM   842  H  HG11 . VAL A 1 52 ? -0.89792  -5.63108  27.23244 1.000 10.55358 ? 72  VAL A HG11 1 
ATOM   843  H  HG12 . VAL A 1 52 ? -1.68861  -6.77638  26.46654 1.000 10.55358 ? 72  VAL A HG12 1 
ATOM   844  H  HG13 . VAL A 1 52 ? -0.16786  -6.99471  26.87048 1.000 10.55358 ? 72  VAL A HG13 1 
ATOM   845  H  HG21 . VAL A 1 52 ? 1.05339   -4.59504  26.13657 1.000 10.62976 ? 72  VAL A HG21 1 
ATOM   846  H  HG22 . VAL A 1 52 ? 1.65443   -5.87632  25.41505 1.000 10.62976 ? 72  VAL A HG22 1 
ATOM   847  H  HG23 . VAL A 1 52 ? 1.17767   -4.62991  24.55326 1.000 10.62976 ? 72  VAL A HG23 1 
ATOM   848  N  N    . SER A 1 53 ? 0.87661   -6.49669  22.12994 1.000 8.71183  ? 73  SER A N    1 
ATOM   849  C  CA   . SER A 1 53 ? 1.19401   -5.97783  20.81044 1.000 8.95696  ? 73  SER A CA   1 
ATOM   850  C  C    . SER A 1 53 ? 2.24947   -6.88519  20.19140 1.000 9.13065  ? 73  SER A C    1 
ATOM   851  O  O    . SER A 1 53 ? 2.89341   -7.67878  20.88232 1.000 8.69414  ? 73  SER A O    1 
ATOM   852  C  CB   . SER A 1 53 ? 1.67963   -4.52914  20.86388 1.000 9.82499  ? 73  SER A CB   1 
ATOM   853  O  OG   . SER A 1 53 ? 2.89073   -4.46942  21.56147 1.000 10.56798 ? 73  SER A OG   1 
ATOM   854  H  H    . SER A 1 53 ? 1.48455   -7.01802  22.44335 1.000 10.46458 ? 73  SER A H    1 
ATOM   855  H  HA   . SER A 1 53 ? 0.39997   -5.99665  20.25363 1.000 10.75874 ? 73  SER A HA   1 
ATOM   856  H  HB2  . SER A 1 53 ? 1.81253   -4.20126  19.96070 1.000 11.80038 ? 73  SER A HB2  1 
ATOM   857  H  HB3  . SER A 1 53 ? 1.01873   -3.98533  21.32036 1.000 11.80038 ? 73  SER A HB3  1 
ATOM   858  H  HG   . SER A 1 53 ? 3.16980   -3.67749  21.58531 1.000 12.69197 ? 73  SER A HG   1 
ATOM   859  N  N    . ALA A 1 54 ? 2.42571   -6.74995  18.88469 1.000 10.10175 ? 74  ALA A N    1 
ATOM   860  C  CA   . ALA A 1 54 ? 3.34361   -7.59399  18.13304 1.000 10.45528 ? 74  ALA A CA   1 
ATOM   861  C  C    . ALA A 1 54 ? 3.88935   -6.79895  16.96409 1.000 10.82314 ? 74  ALA A C    1 
ATOM   862  O  O    . ALA A 1 54 ? 3.18899   -5.95493  16.41153 1.000 12.19922 ? 74  ALA A O    1 
ATOM   863  C  CB   . ALA A 1 54 ? 2.61661   -8.83600  17.60835 1.000 12.37631 ? 74  ALA A CB   1 
ATOM   864  H  H    . ALA A 1 54 ? 2.01848   -6.16662  18.40149 1.000 12.13249 ? 74  ALA A H    1 
ATOM   865  H  HA   . ALA A 1 54 ? 4.08528   -7.86609  18.69588 1.000 12.55673 ? 74  ALA A HA   1 
ATOM   866  H  HB1  . ALA A 1 54 ? 3.21576   -9.33099  17.02792 1.000 14.86196 ? 74  ALA A HB1  1 
ATOM   867  H  HB2  . ALA A 1 54 ? 2.35296   -9.38889  18.36048 1.000 14.86196 ? 74  ALA A HB2  1 
ATOM   868  H  HB3  . ALA A 1 54 ? 1.83147   -8.55629  17.11215 1.000 14.86196 ? 74  ALA A HB3  1 
ATOM   869  N  N    . GLY A 1 55 ? 5.13324   -7.08138  16.57977 1.000 10.95363 ? 75  GLY A N    1 
ATOM   870  C  CA   . GLY A 1 55 ? 5.74728   -6.41343  15.45001 1.000 11.83536 ? 75  GLY A CA   1 
ATOM   871  C  C    . GLY A 1 55 ? 7.25541   -6.60305  15.47685 1.000 11.05482 ? 75  GLY A C    1 
ATOM   872  O  O    . GLY A 1 55 ? 7.77070   -7.50854  16.12151 1.000 12.18416 ? 75  GLY A O    1 
ATOM   873  H  H    . GLY A 1 55 ? 5.64089   -7.66031  16.96281 1.000 13.15474 ? 75  GLY A H    1 
ATOM   874  H  HA2  . GLY A 1 55 ? 5.39997   -6.78047  14.62203 1.000 14.21282 ? 75  GLY A HA2  1 
ATOM   875  H  HA3  . GLY A 1 55 ? 5.55017   -5.46421  15.48187 1.000 14.21282 ? 75  GLY A HA3  1 
ATOM   876  N  N    . SER A 1 56 ? 7.95675   -5.70251  14.79901 1.000 11.73571 ? 76  SER A N    1 
ATOM   877  C  CA   . SER A 1 56 ? 9.40698   -5.79489  14.78080 1.000 11.66050 ? 76  SER A CA   1 
ATOM   878  C  C    . SER A 1 56 ? 9.97121   -5.53539  16.16989 1.000 10.82040 ? 76  SER A C    1 
ATOM   879  O  O    . SER A 1 56 ? 9.31774   -4.90857  17.01893 1.000 10.76697 ? 76  SER A O    1 
ATOM   880  C  CB   . SER A 1 56 ? 9.98696   -4.74613  13.85132 1.000 12.92331 ? 76  SER A CB   1 
ATOM   881  O  OG   . SER A 1 56 ? 9.76254   -3.48339  14.41838 1.000 14.00888 ? 76  SER A OG   1 
ATOM   882  H  H    . SER A 1 56 ? 7.62430   -5.04621  14.35364 1.000 14.09324 ? 76  SER A H    1 
ATOM   883  H  HA   . SER A 1 56 ? 9.66096   -6.68136  14.47987 1.000 14.00299 ? 76  SER A HA   1 
ATOM   884  H  HB2  . SER A 1 56 ? 10.94035  -4.89269  13.74903 1.000 15.51835 ? 76  SER A HB2  1 
ATOM   885  H  HB3  . SER A 1 56 ? 9.54876   -4.79803  12.98750 1.000 15.51835 ? 76  SER A HB3  1 
ATOM   886  H  HG   . SER A 1 56 ? 10.18020  -2.89623  13.98664 1.000 16.82105 ? 76  SER A HG   1 
ATOM   887  N  N    . ARG A 1 57 ? 11.20716  -6.00318  16.40012 1.000 11.08466 ? 77  ARG A N    1 
ATOM   888  C  CA   . ARG A 1 57 ? 11.88301  -5.73659  17.66803 1.000 11.23356 ? 77  ARG A CA   1 
ATOM   889  C  C    . ARG A 1 57 ? 11.92867  -4.24739  17.98748 1.000 10.97374 ? 77  ARG A C    1 
ATOM   890  O  O    . ARG A 1 57 ? 11.65491  -3.83933  19.11701 1.000 10.86321 ? 77  ARG A O    1 
ATOM   891  C  CB   . ARG A 1 57 ? 13.29920  -6.30696  17.63132 1.000 12.30179 ? 77  ARG A CB   1 
ATOM   892  C  CG   . ARG A 1 57 ? 14.06388  -6.12257  18.92786 1.000 12.82218 ? 77  ARG A CG   1 
ATOM   893  C  CD   . ARG A 1 57 ? 15.43364  -6.67607  18.85513 1.000 14.06215 ? 77  ARG A CD   1 
ATOM   894  N  NE   . ARG A 1 57 ? 16.11841  -6.41744  20.11562 1.000 15.44812 ? 77  ARG A NE   1 
ATOM   895  C  CZ   . ARG A 1 57 ? 17.16663  -7.08888  20.57663 1.000 16.23818 ? 77  ARG A CZ   1 
ATOM   896  N  NH1  . ARG A 1 57 ? 17.71479  -8.09300  19.89988 1.000 16.33426 ? 77  ARG A NH1  1 
ATOM   897  N  NH2  . ARG A 1 57 ? 17.67223  -6.75659  21.76063 1.000 17.74951 ? 77  ARG A NH2  1 
ATOM   898  H  H    . ARG A 1 57 ? 11.66666  -6.47084  15.84357 1.000 13.31198 ? 77  ARG A H    1 
ATOM   899  H  HA   . ARG A 1 57 ? 11.38771  -6.17764  18.37588 1.000 13.49066 ? 77  ARG A HA   1 
ATOM   900  H  HB2  . ARG A 1 57 ? 13.24781  -7.25851  17.45018 1.000 14.77253 ? 77  ARG A HB2  1 
ATOM   901  H  HB3  . ARG A 1 57 ? 13.79683  -5.86171  16.92774 1.000 14.77253 ? 77  ARG A HB3  1 
ATOM   902  H  HG2  . ARG A 1 57 ? 14.13157  -5.17533  19.12548 1.000 15.39701 ? 77  ARG A HG2  1 
ATOM   903  H  HG3  . ARG A 1 57 ? 13.59235  -6.57779  19.64295 1.000 15.39701 ? 77  ARG A HG3  1 
ATOM   904  H  HD2  . ARG A 1 57 ? 15.39556  -7.63404  18.70769 1.000 16.88497 ? 77  ARG A HD2  1 
ATOM   905  H  HD3  . ARG A 1 57 ? 15.92486  -6.24899  18.13596 1.000 16.88497 ? 77  ARG A HD3  1 
ATOM   906  H  HE   . ARG A 1 57 ? 15.81773  -5.77514  20.60208 1.000 18.54813 ? 77  ARG A HE   1 
ATOM   907  H  HH11 . ARG A 1 57 ? 17.39056  -8.32580  19.13812 1.000 19.61150 ? 77  ARG A HH11 1 
ATOM   908  H  HH12 . ARG A 1 57 ? 18.39369  -8.50987  20.22377 1.000 19.61150 ? 77  ARG A HH12 1 
ATOM   909  H  HH21 . ARG A 1 57 ? 17.32030  -6.11616  22.21406 1.000 21.30979 ? 77  ARG A HH21 1 
ATOM   910  H  HH22 . ARG A 1 57 ? 18.35117  -7.18209  22.07301 1.000 21.30979 ? 77  ARG A HH22 1 
ATOM   911  N  N    . GLU A 1 58 ? 12.27091  -3.41698  17.00318 1.000 12.37506 ? 78  GLU A N    1 
ATOM   912  C  CA   . GLU A 1 58 ? 12.36274  -1.99084  17.28681 1.000 14.06585 ? 78  GLU A CA   1 
ATOM   913  C  C    . GLU A 1 58 ? 11.00205  -1.39143  17.62659 1.000 12.86124 ? 78  GLU A C    1 
ATOM   914  O  O    . GLU A 1 58 ? 10.92448  -0.51249  18.49080 1.000 13.83577 ? 78  GLU A O    1 
ATOM   915  C  CB   . GLU A 1 58 ? 13.07365  -1.23501  16.15717 1.000 16.52889 ? 78  GLU A CB   1 
ATOM   916  C  CG   . GLU A 1 58 ? 14.55587  -1.62231  15.91709 1.000 19.80987 ? 78  GLU A CG   1 
ATOM   917  C  CD   . GLU A 1 58 ? 15.42667  -1.71780  17.17087 0.466 22.38706 ? 78  GLU A CD   1 
ATOM   918  O  OE1  . GLU A 1 58 ? 15.47390  -2.80269  17.79049 0.452 23.34945 ? 78  GLU A OE1  1 
ATOM   919  O  OE2  . GLU A 1 58 ? 16.03496  -0.70000  17.55262 0.415 23.60940 ? 78  GLU A OE2  1 
ATOM   920  H  H    . GLU A 1 58 ? 12.44804  -3.64669  16.19358 1.000 14.86046 ? 78  GLU A H    1 
ATOM   921  H  HA   . GLU A 1 58 ? 12.92490  -1.86971  18.06796 1.000 16.88941 ? 78  GLU A HA   1 
ATOM   922  H  HB2  . GLU A 1 58 ? 12.59484  -1.40296  15.33047 0.522 19.84505 ? 78  GLU A HB2  1 
ATOM   923  H  HB3  . GLU A 1 58 ? 13.05386  -0.28784  16.36546 0.390 19.84505 ? 78  GLU A HB3  1 
ATOM   924  H  HG2  . GLU A 1 58 ? 14.57801  -2.49039  15.48484 0.397 23.78223 ? 78  GLU A HG2  1 
ATOM   925  H  HG3  . GLU A 1 58 ? 14.95598  -0.95371  15.33935 0.332 23.78223 ? 78  GLU A HG3  1 
ATOM   926  N  N    . SER A 1 59 ? 9.92060   -1.86591  17.00562 1.000 11.58855 ? 79  SER A N    1 
ATOM   927  C  CA   A SER A 1 59 ? 8.59335   -1.36258  17.35117 0.390 11.83048 ? 79  SER A CA   1 
ATOM   928  C  CA   B SER A 1 59 ? 8.61068   -1.33730  17.35687 0.386 11.21143 ? 79  SER A CA   1 
ATOM   929  C  CA   C SER A 1 59 ? 8.60040   -1.35358  17.35078 0.224 11.65219 ? 79  SER A CA   1 
ATOM   930  C  C    . SER A 1 59 ? 8.18892   -1.79285  18.75325 1.000 10.23322 ? 79  SER A C    1 
ATOM   931  O  O    . SER A 1 59 ? 7.56647   -1.02115  19.49786 1.000 9.82797  ? 79  SER A O    1 
ATOM   932  C  CB   A SER A 1 59 ? 7.54320   -1.88724  16.37119 0.390 13.41322 ? 79  SER A CB   1 
ATOM   933  C  CB   B SER A 1 59 ? 7.57908   -1.67047  16.29062 0.386 11.43415 ? 79  SER A CB   1 
ATOM   934  C  CB   C SER A 1 59 ? 7.57562   -1.80495  16.31253 0.224 12.87759 ? 79  SER A CB   1 
ATOM   935  O  OG   A SER A 1 59 ? 7.82697   -1.54877  15.03994 0.390 14.49918 ? 79  SER A OG   1 
ATOM   936  O  OG   B SER A 1 59 ? 7.29427   -3.02560  16.29338 0.386 10.71506 ? 79  SER A OG   1 
ATOM   937  O  OG   C SER A 1 59 ? 6.32643   -1.18587  16.54983 0.224 13.50725 ? 79  SER A OG   1 
ATOM   938  H  H    A SER A 1 59 ? 9.92837   -2.46835  16.39194 0.390 13.91665 ? 79  SER A H    1 
ATOM   939  H  H    B SER A 1 59 ? 9.92138   -2.47405  16.39754 0.386 13.91665 ? 79  SER A H    1 
ATOM   940  H  H    C SER A 1 59 ? 9.92611   -2.47113  16.39465 0.224 13.91665 ? 79  SER A H    1 
ATOM   941  H  HA   . SER A 1 59 ? 8.62538   -0.39456  17.29813 1.000 13.99302 ? 79  SER A HA   1 
ATOM   942  H  HB2  A SER A 1 59 ? 7.51043   -2.85402  16.44306 0.390 16.10625 ? 79  SER A HB2  1 
ATOM   943  H  HB2  B SER A 1 59 ? 6.76489   -1.17551  16.47227 0.386 13.73136 ? 79  SER A HB2  1 
ATOM   944  H  HB2  C SER A 1 59 ? 7.88944   -1.55783  15.42859 0.224 15.46349 ? 79  SER A HB2  1 
ATOM   945  H  HB3  A SER A 1 59 ? 6.68287   -1.50753  16.60900 0.390 16.10625 ? 79  SER A HB3  1 
ATOM   946  H  HB3  B SER A 1 59 ? 7.93099   -1.42273  15.42131 0.386 13.73136 ? 79  SER A HB3  1 
ATOM   947  H  HB3  C SER A 1 59 ? 7.46879   -2.76736  16.36961 0.224 15.46349 ? 79  SER A HB3  1 
ATOM   948  H  HG   A SER A 1 59 ? 8.54694   -1.90839  14.79928 0.390 17.40940 ? 79  SER A HG   1 
ATOM   949  H  HG   B SER A 1 59 ? 8.00001   -3.46773  16.18352 0.386 12.86846 ? 79  SER A HG   1 
ATOM   950  H  HG   C SER A 1 59 ? 5.78167   -1.39753  15.94647 0.224 16.21908 ? 79  SER A HG   1 
ATOM   951  N  N    . MET A 1 60 ? 8.52646   -3.02528  19.13051 1.000 9.26451  ? 80  MET A N    1 
ATOM   952  C  CA   . MET A 1 60 ? 8.19391   -3.48687  20.46796 1.000 8.95656  ? 80  MET A CA   1 
ATOM   953  C  C    . MET A 1 60 ? 8.99697   -2.74696  21.52083 1.000 8.02540  ? 80  MET A C    1 
ATOM   954  O  O    . MET A 1 60 ? 8.49639   -2.52226  22.62045 1.000 8.29728  ? 80  MET A O    1 
ATOM   955  C  CB   . MET A 1 60 ? 8.39402   -4.99860  20.56059 1.000 8.81321  ? 80  MET A CB   1 
ATOM   956  C  CG   . MET A 1 60 ? 7.45497   -5.79833  19.65169 1.000 9.11894  ? 80  MET A CG   1 
ATOM   957  S  SD   . MET A 1 60 ? 5.67893   -5.54471  19.90573 1.000 9.25928  ? 80  MET A SD   1 
ATOM   958  C  CE   . MET A 1 60 ? 5.26512   -4.20324  18.77689 1.000 10.57154 ? 80  MET A CE   1 
ATOM   959  H  H    . MET A 1 60 ? 8.93907   -3.59856  18.63989 1.000 11.12779 ? 80  MET A H    1 
ATOM   960  H  HA   . MET A 1 60 ? 7.25424   -3.31983  20.64119 1.000 10.75826 ? 80  MET A HA   1 
ATOM   961  H  HB2  . MET A 1 60 ? 9.30559   -5.20934  20.30460 1.000 10.58624 ? 80  MET A HB2  1 
ATOM   962  H  HB3  . MET A 1 60 ? 8.23277   -5.27965  21.47487 1.000 10.58624 ? 80  MET A HB3  1 
ATOM   963  H  HG2  . MET A 1 60 ? 7.64783   -5.55802  18.73194 1.000 10.95311 ? 80  MET A HG2  1 
ATOM   964  H  HG3  . MET A 1 60 ? 7.63035   -6.74200  19.79179 1.000 10.95311 ? 80  MET A HG3  1 
ATOM   965  H  HE1  . MET A 1 60 ? 4.29995   -4.12906  18.71490 1.000 12.69624 ? 80  MET A HE1  1 
ATOM   966  H  HE2  . MET A 1 60 ? 5.63917   -3.37612  19.11873 1.000 12.69624 ? 80  MET A HE2  1 
ATOM   967  H  HE3  . MET A 1 60 ? 5.63861   -4.39903  17.90335 1.000 12.69624 ? 80  MET A HE3  1 
ATOM   968  N  N    . GLU A 1 61 ? 10.22160  -2.32528  21.19783 1.000 8.89648  ? 81  GLU A N    1 
ATOM   969  C  CA   . GLU A 1 61 ? 11.00756  -1.55019  22.15194 1.000 9.44308  ? 81  GLU A CA   1 
ATOM   970  C  C    . GLU A 1 61 ? 10.28619  -0.25351  22.51245 1.000 8.40525  ? 81  GLU A C    1 
ATOM   971  O  O    . GLU A 1 61 ? 10.27215  0.15183   23.68047 1.000 8.17346  ? 81  GLU A O    1 
ATOM   972  C  CB   . GLU A 1 61 ? 12.38307  -1.25807  21.56357 1.000 13.06985 ? 81  GLU A CB   1 
ATOM   973  C  CG   . GLU A 1 61 ? 13.29766  -0.39447  22.41079 1.000 18.44508 ? 81  GLU A CG   1 
ATOM   974  C  CD   . GLU A 1 61 ? 14.68820  -0.24360  21.83419 1.000 23.57359 ? 81  GLU A CD   1 
ATOM   975  O  OE1  . GLU A 1 61 ? 14.91505  -0.65579  20.67957 1.000 24.60225 ? 81  GLU A OE1  1 
ATOM   976  O  OE2  . GLU A 1 61 ? 15.56199  0.30797   22.53846 1.000 26.25087 ? 81  GLU A OE2  1 
ATOM   977  H  H    . GLU A 1 61 ? 10.61201  -2.47273  20.44588 1.000 10.68616 ? 81  GLU A H    1 
ATOM   978  H  HA   . GLU A 1 61 ? 11.13238  -2.06393  22.96520 1.000 11.34208 ? 81  GLU A HA   1 
ATOM   979  H  HB2  . GLU A 1 61 ? 12.83758  -2.10305  21.42101 1.000 15.69421 ? 81  GLU A HB2  1 
ATOM   980  H  HB3  . GLU A 1 61 ? 12.25988  -0.80068  20.71709 1.000 15.69421 ? 81  GLU A HB3  1 
ATOM   981  H  HG2  . GLU A 1 61 ? 12.91011  0.49147   22.48706 1.000 22.14449 ? 81  GLU A HG2  1 
ATOM   982  H  HG3  . GLU A 1 61 ? 13.38259  -0.79621  23.28959 1.000 22.14449 ? 81  GLU A HG3  1 
ATOM   983  N  N    . VAL A 1 62 ? 9.63818   0.37013   21.53494 1.000 8.02836  ? 82  VAL A N    1 
ATOM   984  C  CA   . VAL A 1 62 ? 8.85620   1.57155   21.80397 1.000 8.06667  ? 82  VAL A CA   1 
ATOM   985  C  C    . VAL A 1 62 ? 7.65874   1.25181   22.68905 1.000 7.98712  ? 82  VAL A C    1 
ATOM   986  O  O    . VAL A 1 62 ? 7.36819   1.98752   23.63206 1.000 8.21754  ? 82  VAL A O    1 
ATOM   987  C  CB   . VAL A 1 62 ? 8.44524   2.26040   20.49267 1.000 9.00058  ? 82  VAL A CB   1 
ATOM   988  C  CG1  . VAL A 1 62 ? 7.42087   3.35048   20.77057 1.000 10.27396 ? 82  VAL A CG1  1 
ATOM   989  C  CG2  . VAL A 1 62 ? 9.65541   2.80942   19.78137 1.000 10.27139 ? 82  VAL A CG2  1 
ATOM   990  H  H    . VAL A 1 62 ? 9.63423   0.12074   20.71190 1.000 9.64442  ? 82  VAL A H    1 
ATOM   991  H  HA   . VAL A 1 62 ? 9.41801   2.19400   22.29165 1.000 9.69039  ? 82  VAL A HA   1 
ATOM   992  H  HB   . VAL A 1 62 ? 8.03285   1.60938   19.90359 1.000 10.81108 ? 82  VAL A HB   1 
ATOM   993  H  HG11 . VAL A 1 62 ? 7.40395   3.96635   20.02136 1.000 12.33914 ? 82  VAL A HG11 1 
ATOM   994  H  HG12 . VAL A 1 62 ? 6.54811   2.94241   20.88310 1.000 12.33914 ? 82  VAL A HG12 1 
ATOM   995  H  HG13 . VAL A 1 62 ? 7.67269   3.82146   21.58030 1.000 12.33914 ? 82  VAL A HG13 1 
ATOM   996  H  HG21 . VAL A 1 62 ? 9.37102   3.23739   18.95865 1.000 12.33605 ? 82  VAL A HG21 1 
ATOM   997  H  HG22 . VAL A 1 62 ? 10.09332  3.45626   20.35647 1.000 12.33605 ? 82  VAL A HG22 1 
ATOM   998  H  HG23 . VAL A 1 62 ? 10.26255  2.07970   19.58189 1.000 12.33605 ? 82  VAL A HG23 1 
ATOM   999  N  N    . ASP A 1 63 ? 6.94261   0.16091   22.39993 1.000 7.85300  ? 83  ASP A N    1 
ATOM   1000 C  CA   . ASP A 1 63 ? 5.78927   -0.18558  23.21945 1.000 7.72678  ? 83  ASP A CA   1 
ATOM   1001 C  C    . ASP A 1 63 ? 6.19091   -0.44365  24.66460 1.000 7.25074  ? 83  ASP A C    1 
ATOM   1002 O  O    . ASP A 1 63 ? 5.49403   -0.00786  25.58834 1.000 7.34028  ? 83  ASP A O    1 
ATOM   1003 C  CB   . ASP A 1 63 ? 5.06241   -1.39561  22.63940 1.000 8.13885  ? 83  ASP A CB   1 
ATOM   1004 C  CG   . ASP A 1 63 ? 4.31143   -1.07794  21.36889 1.000 10.66336 ? 83  ASP A CG   1 
ATOM   1005 O  OD1  . ASP A 1 63 ? 4.28329   0.09214   20.96031 1.000 13.31368 ? 83  ASP A OD1  1 
ATOM   1006 O  OD2  . ASP A 1 63 ? 3.74862   -2.03638  20.79555 1.000 10.97788 ? 83  ASP A OD2  1 
ATOM   1007 H  H    . ASP A 1 63 ? 7.10251   -0.37938  21.75022 1.000 9.43398  ? 83  ASP A H    1 
ATOM   1008 H  HA   . ASP A 1 63 ? 5.17197   0.56256   23.20826 1.000 9.28253  ? 83  ASP A HA   1 
ATOM   1009 H  HB2  . ASP A 1 63 ? 5.71219   -2.08703  22.43785 1.000 9.77701  ? 83  ASP A HB2  1 
ATOM   1010 H  HB3  . ASP A 1 63 ? 4.42257   -1.72158  23.29150 1.000 9.77701  ? 83  ASP A HB3  1 
ATOM   1011 N  N    . VAL A 1 64 ? 7.30622   -1.14184  24.88533 1.000 6.85119  ? 84  VAL A N    1 
ATOM   1012 C  CA   . VAL A 1 64 ? 7.78667   -1.36406  26.24232 1.000 7.09803  ? 84  VAL A CA   1 
ATOM   1013 C  C    . VAL A 1 64 ? 8.06667   -0.03681  26.93153 1.000 7.06487  ? 84  VAL A C    1 
ATOM   1014 O  O    . VAL A 1 64 ? 7.66642   0.17627   28.07687 1.000 7.34333  ? 84  VAL A O    1 
ATOM   1015 C  CB   . VAL A 1 64 ? 9.01933   -2.28631  26.23675 1.000 7.42040  ? 84  VAL A CB   1 
ATOM   1016 C  CG1  . VAL A 1 64 ? 9.67570   -2.33169  27.61086 1.000 7.99845  ? 84  VAL A CG1  1 
ATOM   1017 C  CG2  . VAL A 1 64 ? 8.62907   -3.69197  25.78919 1.000 7.89189  ? 84  VAL A CG2  1 
ATOM   1018 H  H    . VAL A 1 64 ? 7.79584   -1.49259  24.27145 1.000 8.23181  ? 84  VAL A H    1 
ATOM   1019 H  HA   . VAL A 1 64 ? 7.08979   -1.81277  26.74622 1.000 8.52802  ? 84  VAL A HA   1 
ATOM   1020 H  HB   . VAL A 1 64 ? 9.66671   -1.92951  25.60866 1.000 8.91487  ? 84  VAL A HB   1 
ATOM   1021 H  HG11 . VAL A 1 64 ? 10.23382  -3.12296  27.66827 1.000 9.60853  ? 84  VAL A HG11 1 
ATOM   1022 H  HG12 . VAL A 1 64 ? 10.21731  -1.53564  27.72858 1.000 9.60853  ? 84  VAL A HG12 1 
ATOM   1023 H  HG13 . VAL A 1 64 ? 8.98414   -2.36469  28.29024 1.000 9.60853  ? 84  VAL A HG13 1 
ATOM   1024 H  HG21 . VAL A 1 64 ? 9.42974   -4.23519  25.72042 1.000 9.48065  ? 84  VAL A HG21 1 
ATOM   1025 H  HG22 . VAL A 1 64 ? 8.02446   -4.07533  26.44370 1.000 9.48065  ? 84  VAL A HG22 1 
ATOM   1026 H  HG23 . VAL A 1 64 ? 8.19070   -3.63811  24.92557 1.000 9.48065  ? 84  VAL A HG23 1 
ATOM   1027 N  N    . SER A 1 65 ? 8.76906   0.87288   26.25274 1.000 7.17434  ? 85  SER A N    1 
ATOM   1028 C  CA   . SER A 1 65 ? 9.07980   2.15940   26.85847 1.000 7.60589  ? 85  SER A CA   1 
ATOM   1029 C  C    . SER A 1 65 ? 7.81672   2.95036   27.20246 1.000 7.27999  ? 85  SER A C    1 
ATOM   1030 O  O    . SER A 1 65 ? 7.71986   3.55662   28.27830 1.000 7.46852  ? 85  SER A O    1 
ATOM   1031 C  CB   . SER A 1 65 ? 9.94267   2.99896   25.90788 1.000 8.57133  ? 85  SER A CB   1 
ATOM   1032 O  OG   . SER A 1 65 ? 11.17568  2.38335   25.67298 1.000 10.28175 ? 85  SER A OG   1 
ATOM   1033 H  H    . SER A 1 65 ? 9.07064   0.76861   25.45413 1.000 8.61960  ? 85  SER A H    1 
ATOM   1034 H  HA   . SER A 1 65 ? 9.57324   1.98599   27.67538 1.000 9.13745  ? 85  SER A HA   1 
ATOM   1035 H  HB2  . SER A 1 65 ? 9.47503   3.09949   25.06401 1.000 10.29598 ? 85  SER A HB2  1 
ATOM   1036 H  HB3  . SER A 1 65 ? 10.09629  3.86923   26.30777 1.000 10.29598 ? 85  SER A HB3  1 
ATOM   1037 H  HG   . SER A 1 65 ? 11.66856  2.46023   26.34882 1.000 12.34849 ? 85  SER A HG   1 
ATOM   1038 N  N    . LYS A 1 66 ? 6.83459   2.95685   26.30481 1.000 7.04352  ? 86  LYS A N    1 
ATOM   1039 C  CA   . LYS A 1 66 ? 5.57618   3.65157   26.56637 1.000 7.35362  ? 86  LYS A CA   1 
ATOM   1040 C  C    . LYS A 1 66 ? 4.87629   3.06508   27.77994 1.000 7.16745  ? 86  LYS A C    1 
ATOM   1041 O  O    . LYS A 1 66 ? 4.35237   3.79193   28.62074 1.000 7.60458  ? 86  LYS A O    1 
ATOM   1042 C  CB   . LYS A 1 66 ? 4.65577   3.54512   25.35023 1.000 8.13178  ? 86  LYS A CB   1 
ATOM   1043 C  CG   . LYS A 1 66 ? 5.11984   4.34675   24.12681 1.000 8.56643  ? 86  LYS A CG   1 
ATOM   1044 C  CD   . LYS A 1 66 ? 4.43535   3.96126   22.82942 1.000 11.39960 ? 86  LYS A CD   1 
ATOM   1045 C  CE   . LYS A 1 66 ? 2.94151   3.94970   22.90514 1.000 14.16431 ? 86  LYS A CE   1 
ATOM   1046 N  NZ   . LYS A 1 66 ? 2.35487   3.69988   21.56627 1.000 14.86029 ? 86  LYS A NZ   1 
ATOM   1047 H  H    . LYS A 1 66 ? 6.86981   2.56832   25.53839 1.000 8.46261  ? 86  LYS A H    1 
ATOM   1048 H  HA   . LYS A 1 66 ? 5.76794   4.58790   26.73195 1.000 8.83474  ? 86  LYS A HA   1 
ATOM   1049 H  HB2  . LYS A 1 66 ? 4.60018   2.61351   25.08582 1.000 9.76852  ? 86  LYS A HB2  1 
ATOM   1050 H  HB3  . LYS A 1 66 ? 3.77710   3.87250   25.59855 1.000 9.76852  ? 86  LYS A HB3  1 
ATOM   1051 H  HG2  . LYS A 1 66 ? 4.93919   5.28657   24.28494 1.000 10.29011 ? 86  LYS A HG2  1 
ATOM   1052 H  HG3  . LYS A 1 66 ? 6.07237   4.20747   24.00771 1.000 10.29011 ? 86  LYS A HG3  1 
ATOM   1053 H  HD2  . LYS A 1 66 ? 4.68951   4.59739   22.14266 1.000 13.68991 ? 86  LYS A HD2  1 
ATOM   1054 H  HD3  . LYS A 1 66 ? 4.72343   3.06961   22.57870 1.000 13.68991 ? 86  LYS A HD3  1 
ATOM   1055 H  HE2  . LYS A 1 66 ? 2.65217   3.24513   23.50577 1.000 17.00756 ? 86  LYS A HE2  1 
ATOM   1056 H  HE3  . LYS A 1 66 ? 2.62585   4.80915   23.22547 1.000 17.00756 ? 86  LYS A HE3  1 
ATOM   1057 H  HZ1  . LYS A 1 66 ? 2.82019   4.13416   20.94419 1.000 17.84274 ? 86  LYS A HZ1  1 
ATOM   1058 H  HZ2  . LYS A 1 66 ? 2.37189   2.82887   21.38418 1.000 17.84274 ? 86  LYS A HZ2  1 
ATOM   1059 H  HZ3  . LYS A 1 66 ? 1.51127   3.98277   21.54597 1.000 17.84274 ? 86  LYS A HZ3  1 
ATOM   1060 N  N    . LEU A 1 67 ? 4.84566   1.73804   27.86895 1.000 6.90899  ? 87  LEU A N    1 
ATOM   1061 C  CA   . LEU A 1 67 ? 4.19209   1.07155   28.98218 1.000 7.04236  ? 87  LEU A CA   1 
ATOM   1062 C  C    . LEU A 1 67 ? 4.92014   1.31885   30.29779 1.000 6.71915  ? 87  LEU A C    1 
ATOM   1063 O  O    . LEU A 1 67 ? 4.27630   1.54199   31.32248 1.000 7.34412  ? 87  LEU A O    1 
ATOM   1064 C  CB   . LEU A 1 67 ? 4.07778   -0.42173  28.67355 1.000 6.91952  ? 87  LEU A CB   1 
ATOM   1065 C  CG   . LEU A 1 67 ? 2.97651   -0.74957  27.66719 1.000 7.44143  ? 87  LEU A CG   1 
ATOM   1066 C  CD1  . LEU A 1 67 ? 3.23632   -2.11202  27.04166 1.000 7.92701  ? 87  LEU A CD1  1 
ATOM   1067 C  CD2  . LEU A 1 67 ? 1.62162   -0.73832  28.31960 1.000 8.68379  ? 87  LEU A CD2  1 
ATOM   1068 H  H    . LEU A 1 67 ? 5.19709   1.20175   27.29581 1.000 8.30117  ? 87  LEU A H    1 
ATOM   1069 H  HA   . LEU A 1 67 ? 3.29650   1.42796   29.09073 1.000 8.46121  ? 87  LEU A HA   1 
ATOM   1070 H  HB2  . LEU A 1 67 ? 4.92034   -0.73028  28.30506 1.000 8.31382  ? 87  LEU A HB2  1 
ATOM   1071 H  HB3  . LEU A 1 67 ? 3.88155   -0.89692  29.49610 1.000 8.31382  ? 87  LEU A HB3  1 
ATOM   1072 H  HG   . LEU A 1 67 ? 2.97840   -0.07239  26.97270 1.000 8.94010  ? 87  LEU A HG   1 
ATOM   1073 H  HD11 . LEU A 1 67 ? 2.55533   -2.28785  26.37365 1.000 9.52280  ? 87  LEU A HD11 1 
ATOM   1074 H  HD12 . LEU A 1 67 ? 4.11313   -2.10704  26.62683 1.000 9.52280  ? 87  LEU A HD12 1 
ATOM   1075 H  HD13 . LEU A 1 67 ? 3.20227   -2.78952  27.73501 1.000 9.52280  ? 87  LEU A HD13 1 
ATOM   1076 H  HD21 . LEU A 1 67 ? 0.94340   -0.88389  27.64157 1.000 10.43094 ? 87  LEU A HD21 1 
ATOM   1077 H  HD22 . LEU A 1 67 ? 1.58424   -1.44585  28.98211 1.000 10.43094 ? 87  LEU A HD22 1 
ATOM   1078 H  HD23 . LEU A 1 67 ? 1.48364   0.12186   28.74615 1.000 10.43094 ? 87  LEU A HD23 1 
ATOM   1079 N  N    . HIS A 1 68 ? 6.25689   1.30548   30.28056 1.000 6.91032  ? 88  HIS A N    1 
ATOM   1080 C  CA   . HIS A 1 68 ? 6.99796   1.61101   31.50227 1.000 7.18600  ? 88  HIS A CA   1 
ATOM   1081 C  C    . HIS A 1 68 ? 6.69985   3.01959   31.98215 1.000 7.46298  ? 88  HIS A C    1 
ATOM   1082 O  O    . HIS A 1 68 ? 6.55782   3.24678   33.18629 1.000 8.19349  ? 88  HIS A O    1 
ATOM   1083 C  CB   . HIS A 1 68 ? 8.50225   1.47643   31.30308 1.000 7.53260  ? 88  HIS A CB   1 
ATOM   1084 C  CG   . HIS A 1 68 ? 8.99004   0.07576   31.31956 1.000 7.64815  ? 88  HIS A CG   1 
ATOM   1085 N  ND1  . HIS A 1 68 ? 10.32199  -0.24765  31.46830 1.000 8.09185  ? 88  HIS A ND1  1 
ATOM   1086 C  CD2  . HIS A 1 68 ? 8.31472   -1.09225  31.18075 1.000 7.77676  ? 88  HIS A CD2  1 
ATOM   1087 C  CE1  . HIS A 1 68 ? 10.42658  -1.56692  31.42939 1.000 8.27552  ? 88  HIS A CE1  1 
ATOM   1088 N  NE2  . HIS A 1 68 ? 9.22849   -2.10341  31.26430 1.000 8.19701  ? 88  HIS A NE2  1 
ATOM   1089 H  H    . HIS A 1 68 ? 6.74294   1.12765   29.59374 1.000 8.30277  ? 88  HIS A H    1 
ATOM   1090 H  HA   . HIS A 1 68 ? 6.72244   0.96355   32.16994 1.000 8.63358  ? 88  HIS A HA   1 
ATOM   1091 H  HB2  . HIS A 1 68 ? 8.73779   1.86078   30.44419 1.000 9.04950  ? 88  HIS A HB2  1 
ATOM   1092 H  HB3  . HIS A 1 68 ? 8.95429   1.95466   32.01573 1.000 9.04950  ? 88  HIS A HB3  1 
ATOM   1093 H  HD2  . HIS A 1 68 ? 7.39851   -1.18695  31.05237 1.000 9.34250  ? 88  HIS A HD2  1 
ATOM   1094 H  HE1  . HIS A 1 68 ? 11.22123  -2.04389  31.50638 1.000 9.94102  ? 88  HIS A HE1  1 
ATOM   1095 H  HE2  . HIS A 1 68 ? 9.05506   -2.94445  31.21763 1.000 9.84680  ? 88  HIS A HE2  1 
ATOM   1096 N  N    . ALA A 1 69 ? 6.57578   3.97749   31.06803 1.000 7.52391  ? 89  ALA A N    1 
ATOM   1097 C  CA   . ALA A 1 69 ? 6.28287   5.34964   31.46753 1.000 7.76781  ? 89  ALA A CA   1 
ATOM   1098 C  C    . ALA A 1 69 ? 4.91063   5.46058   32.11940 1.000 8.30318  ? 89  ALA A C    1 
ATOM   1099 O  O    . ALA A 1 69 ? 4.70770   6.30627   32.98865 1.000 10.24230 ? 89  ALA A O    1 
ATOM   1100 C  CB   . ALA A 1 69 ? 6.41189   6.29508   30.28004 1.000 9.03037  ? 89  ALA A CB   1 
ATOM   1101 H  H    . ALA A 1 69 ? 6.65546   3.86149   30.21962 1.000 9.03908  ? 89  ALA A H    1 
ATOM   1102 H  HA   . ALA A 1 69 ? 6.94078   5.63126   32.12232 1.000 9.33175  ? 89  ALA A HA   1 
ATOM   1103 H  HB1  . ALA A 1 69 ? 6.21996   7.19932   30.57399 1.000 10.84683 ? 89  ALA A HB1  1 
ATOM   1104 H  HB2  . ALA A 1 69 ? 7.31641   6.24496   29.93329 1.000 10.84683 ? 89  ALA A HB2  1 
ATOM   1105 H  HB3  . ALA A 1 69 ? 5.77955   6.02894   29.59432 1.000 10.84683 ? 89  ALA A HB3  1 
ATOM   1106 N  N    . ALA A 1 70 ? 3.97562   4.59517   31.73423 1.000 8.34559  ? 90  ALA A N    1 
ATOM   1107 C  CA   . ALA A 1 70 ? 2.66156   4.52093   32.34208 1.000 9.22198  ? 90  ALA A CA   1 
ATOM   1108 C  C    . ALA A 1 70 ? 2.66017   3.71068   33.63419 1.000 9.76231  ? 90  ALA A C    1 
ATOM   1109 O  O    . ALA A 1 70 ? 1.62863   3.64029   34.30555 1.000 11.69207 ? 90  ALA A O    1 
ATOM   1110 C  CB   . ALA A 1 70 ? 1.66802   3.89797   31.35967 1.000 9.91142  ? 90  ALA A CB   1 
ATOM   1111 H  H    . ALA A 1 70 ? 4.08634   4.02344   31.10140 1.000 10.02510 ? 90  ALA A H    1 
ATOM   1112 H  HA   . ALA A 1 70 ? 2.36095   5.42014   32.54688 1.000 11.07676 ? 90  ALA A HA   1 
ATOM   1113 H  HB1  . ALA A 1 70 ? 0.78960   3.87554   31.77050 1.000 11.90409 ? 90  ALA A HB1  1 
ATOM   1114 H  HB2  . ALA A 1 70 ? 1.64222   4.43589   30.55290 1.000 11.90409 ? 90  ALA A HB2  1 
ATOM   1115 H  HB3  . ALA A 1 70 ? 1.95693   2.99670   31.14721 1.000 11.90409 ? 90  ALA A HB3  1 
ATOM   1116 N  N    . GLY A 1 71 ? 3.77820   3.09203   34.00415 1.000 9.01113  ? 91  GLY A N    1 
ATOM   1117 C  CA   . GLY A 1 71 ? 3.88763   2.34319   35.23708 1.000 9.98055  ? 91  GLY A CA   1 
ATOM   1118 C  C    . GLY A 1 71 ? 3.51844   0.88431   35.14007 1.000 9.50560  ? 91  GLY A C    1 
ATOM   1119 O  O    . GLY A 1 71 ? 3.35315   0.24969   36.19332 1.000 10.91155 ? 91  GLY A O    1 
ATOM   1120 H  H    . GLY A 1 71 ? 4.50310   3.09500   33.54143 1.000 10.82375 ? 91  GLY A H    1 
ATOM   1121 H  HA2  . GLY A 1 71 ? 4.80471   2.39423   35.54894 1.000 11.98704 ? 91  GLY A HA2  1 
ATOM   1122 H  HA3  . GLY A 1 71 ? 3.30614   2.75025   35.89819 1.000 11.98704 ? 91  GLY A HA3  1 
ATOM   1123 N  N    . LEU A 1 72 ? 3.42106   0.32347   33.93368 1.000 8.48326  ? 92  LEU A N    1 
ATOM   1124 C  CA   A LEU A 1 72 ? 3.08140   -1.08178  33.76119 0.541 8.47350  ? 92  LEU A CA   1 
ATOM   1125 C  CA   B LEU A 1 72 ? 3.07869   -1.08220  33.76985 0.459 8.36232  ? 92  LEU A CA   1 
ATOM   1126 C  C    . LEU A 1 72 ? 4.33625   -1.91869  33.57095 1.000 8.83385  ? 92  LEU A C    1 
ATOM   1127 O  O    . LEU A 1 72 ? 5.34472   -1.44964  33.04716 1.000 10.33225 ? 92  LEU A O    1 
ATOM   1128 C  CB   A LEU A 1 72 ? 2.12689   -1.27595  32.58162 0.541 8.78366  ? 92  LEU A CB   1 
ATOM   1129 C  CB   B LEU A 1 72 ? 2.07923   -1.29120  32.62839 0.459 8.35690  ? 92  LEU A CB   1 
ATOM   1130 C  CG   A LEU A 1 72 ? 0.64123   -1.09156  32.90913 0.541 9.21921  ? 92  LEU A CG   1 
ATOM   1131 C  CG   B LEU A 1 72 ? 0.74885   -0.52054  32.72992 0.459 8.83534  ? 92  LEU A CG   1 
ATOM   1132 C  CD1  A LEU A 1 72 ? 0.30075   0.30408   33.38804 0.541 9.33980  ? 92  LEU A CD1  1 
ATOM   1133 C  CD1  B LEU A 1 72 ? -0.22036  -1.02649  31.67480 0.459 8.96194  ? 92  LEU A CD1  1 
ATOM   1134 C  CD2  A LEU A 1 72 ? -0.20375  -1.44718  31.70608 0.541 9.86782  ? 92  LEU A CD2  1 
ATOM   1135 C  CD2  B LEU A 1 72 ? 0.08823   -0.56894  34.10169 0.459 9.81779  ? 92  LEU A CD2  1 
ATOM   1136 H  H    . LEU A 1 72 ? 3.54977   0.74632   33.19596 1.000 10.19030 ? 92  LEU A H    1 
ATOM   1137 H  HA   . LEU A 1 72 ? 2.63332   -1.40127  34.55998 1.000 10.04517 ? 92  LEU A HA   1 
ATOM   1138 H  HB2  A LEU A 1 72 ? 2.35540   -0.63105  31.89402 0.541 10.55077 ? 92  LEU A HB2  1 
ATOM   1139 H  HB2  B LEU A 1 72 ? 2.50557   -1.01625  31.80163 0.459 10.03867 ? 92  LEU A HB2  1 
ATOM   1140 H  HB3  A LEU A 1 72 ? 2.24016   -2.17739  32.24181 0.541 10.55077 ? 92  LEU A HB3  1 
ATOM   1141 H  HB3  B LEU A 1 72 ? 1.85962   -2.23525  32.59042 0.459 10.03867 ? 92  LEU A HB3  1 
ATOM   1142 H  HG   A LEU A 1 72 ? 0.43403   -1.68930  33.64444 0.541 11.07344 ? 92  LEU A HG   1 
ATOM   1143 H  HG   B LEU A 1 72 ? 0.96287   0.41361   32.58011 0.459 10.61279 ? 92  LEU A HG   1 
ATOM   1144 H  HD11 A LEU A 1 72 ? -0.66283  0.38556   33.46412 0.541 11.21815 ? 92  LEU A HD11 1 
ATOM   1145 H  HD11 B LEU A 1 72 ? -1.04009  -0.51038  31.72553 0.459 10.76471 ? 92  LEU A HD11 1 
ATOM   1146 H  HD12 A LEU A 1 72 ? 0.71444   0.45084   34.25304 0.541 11.21815 ? 92  LEU A HD12 1 
ATOM   1147 H  HD12 B LEU A 1 72 ? 0.18309   -0.92130  30.79899 0.459 10.76471 ? 92  LEU A HD12 1 
ATOM   1148 H  HD13 A LEU A 1 72 ? 0.63762   0.94903   32.74659 0.541 11.21815 ? 92  LEU A HD13 1 
ATOM   1149 H  HD13 B LEU A 1 72 ? -0.40842  -1.96329  31.84200 0.459 10.76471 ? 92  LEU A HD13 1 
ATOM   1150 H  HD21 A LEU A 1 72 ? -1.14085  -1.37049  31.94455 0.541 11.85177 ? 92  LEU A HD21 1 
ATOM   1151 H  HD21 B LEU A 1 72 ? -0.82918  -0.26432  34.02132 0.459 11.79173 ? 92  LEU A HD21 1 
ATOM   1152 H  HD22 A LEU A 1 72 ? 0.00443   -0.83604  30.98216 0.541 11.85177 ? 92  LEU A HD22 1 
ATOM   1153 H  HD22 B LEU A 1 72 ? 0.10616   -1.48194  34.42880 0.459 11.79173 ? 92  LEU A HD22 1 
ATOM   1154 H  HD23 A LEU A 1 72 ? -0.00410  -2.35777  31.43798 0.541 11.85177 ? 92  LEU A HD23 1 
ATOM   1155 H  HD23 B LEU A 1 72 ? 0.57686   0.00935   34.70810 0.459 11.79173 ? 92  LEU A HD23 1 
ATOM   1156 N  N    . TRP A 1 73 ? 4.25412   -3.16403  34.00123 1.000 8.69156  ? 93  TRP A N    1 
ATOM   1157 C  CA   . TRP A 1 73 ? 5.38037   -4.09091  33.90964 1.000 8.56156  ? 93  TRP A CA   1 
ATOM   1158 C  C    . TRP A 1 73 ? 5.36144   -4.73012  32.53395 1.000 9.03873  ? 93  TRP A C    1 
ATOM   1159 O  O    . TRP A 1 73 ? 4.60914   -5.65405  32.30589 1.000 14.35638 ? 93  TRP A O    1 
ATOM   1160 C  CB   . TRP A 1 73 ? 5.27190   -5.17628  34.97486 1.000 9.33810  ? 93  TRP A CB   1 
ATOM   1161 C  CG   . TRP A 1 73 ? 5.40234   -4.74042  36.38172 1.000 9.63084  ? 93  TRP A CG   1 
ATOM   1162 C  CD1  . TRP A 1 73 ? 5.62253   -3.48980  36.86250 1.000 11.42489 ? 93  TRP A CD1  1 
ATOM   1163 C  CD2  . TRP A 1 73 ? 5.32228   -5.59678  37.53496 1.000 10.08855 ? 93  TRP A CD2  1 
ATOM   1164 N  NE1  . TRP A 1 73 ? 5.66112   -3.50826  38.23839 1.000 12.08307 ? 93  TRP A NE1  1 
ATOM   1165 C  CE2  . TRP A 1 73 ? 5.46917   -4.78825  38.67222 1.000 11.13658 ? 93  TRP A CE2  1 
ATOM   1166 C  CE3  . TRP A 1 73 ? 5.09847   -6.96514  37.71398 1.000 10.68508 ? 93  TRP A CE3  1 
ATOM   1167 C  CZ2  . TRP A 1 73 ? 5.42935   -5.30799  39.97730 1.000 11.44348 ? 93  TRP A CZ2  1 
ATOM   1168 C  CZ3  . TRP A 1 73 ? 5.05863   -7.47100  39.00569 1.000 11.79492 ? 93  TRP A CZ3  1 
ATOM   1169 C  CH2  . TRP A 1 73 ? 5.21651   -6.64543  40.10537 1.000 11.83965 ? 93  TRP A CH2  1 
ATOM   1170 H  H    . TRP A 1 73 ? 3.54938   -3.50616  34.35605 1.000 10.44026 ? 93  TRP A H    1 
ATOM   1171 H  HA   . TRP A 1 73 ? 6.20334   -3.59184  34.03027 1.000 10.28425 ? 93  TRP A HA   1 
ATOM   1172 H  HB2  . TRP A 1 73 ? 4.40225   -5.59703  34.88790 1.000 11.21610 ? 93  TRP A HB2  1 
ATOM   1173 H  HB3  . TRP A 1 73 ? 5.97291   -5.82701  34.81351 1.000 11.21610 ? 93  TRP A HB3  1 
ATOM   1174 H  HD1  . TRP A 1 73 ? 5.73160   -2.72987  36.33762 1.000 13.72026 ? 93  TRP A HD1  1 
ATOM   1175 H  HE1  . TRP A 1 73 ? 5.78607   -2.82349  38.74345 1.000 14.51007 ? 93  TRP A HE1  1 
ATOM   1176 H  HE3  . TRP A 1 73 ? 4.97860   -7.52560  36.98158 1.000 12.83248 ? 93  TRP A HE3  1 
ATOM   1177 H  HZ2  . TRP A 1 73 ? 5.54354   -4.76139  40.72100 1.000 13.74257 ? 93  TRP A HZ2  1 
ATOM   1178 H  HZ3  . TRP A 1 73 ? 4.92328   -8.38199  39.13486 1.000 14.16430 ? 93  TRP A HZ3  1 
ATOM   1179 H  HH2  . TRP A 1 73 ? 5.17585   -7.01619  40.95730 1.000 14.21797 ? 93  TRP A HH2  1 
ATOM   1180 N  N    . ALA A 1 74 ? 6.17225   -4.24001  31.61739 1.000 8.50415  ? 94  ALA A N    1 
ATOM   1181 C  CA   . ALA A 1 74 ? 6.18699   -4.70947  30.24545 1.000 7.85692  ? 94  ALA A CA   1 
ATOM   1182 C  C    . ALA A 1 74 ? 7.57113   -5.21374  29.88398 1.000 7.47177  ? 94  ALA A C    1 
ATOM   1183 O  O    . ALA A 1 74 ? 8.57470   -4.62808  30.28411 1.000 7.88476  ? 94  ALA A O    1 
ATOM   1184 C  CB   . ALA A 1 74 ? 5.77774   -3.60002  29.28735 1.000 8.78050  ? 94  ALA A CB   1 
ATOM   1185 H  H    . ALA A 1 74 ? 6.74209   -3.61428  31.77015 1.000 10.21537 ? 94  ALA A H    1 
ATOM   1186 H  HA   . ALA A 1 74 ? 5.56384   -5.44674  30.15059 1.000 9.43869  ? 94  ALA A HA   1 
ATOM   1187 H  HB1  . ALA A 1 74 ? 5.70057   -3.96760  28.39302 1.000 10.54698 ? 94  ALA A HB1  1 
ATOM   1188 H  HB2  . ALA A 1 74 ? 4.92395   -3.23711  29.57063 1.000 10.54698 ? 94  ALA A HB2  1 
ATOM   1189 H  HB3  . ALA A 1 74 ? 6.45394   -2.90472  29.30199 1.000 10.54698 ? 94  ALA A HB3  1 
ATOM   1190 N  N    . THR A 1 75 ? 7.60946   -6.27683  29.09365 1.000 7.53726  ? 95  THR A N    1 
ATOM   1191 C  CA   . THR A 1 75 ? 8.84915   -6.78658  28.51926 1.000 8.32482  ? 95  THR A CA   1 
ATOM   1192 C  C    . THR A 1 75 ? 8.57282   -7.12263  27.06473 1.000 8.02255  ? 95  THR A C    1 
ATOM   1193 O  O    . THR A 1 75 ? 7.42465   -7.10475  26.62297 1.000 8.29786  ? 95  THR A O    1 
ATOM   1194 C  CB   . THR A 1 75 ? 9.35811   -8.02519  29.25472 1.000 10.24527 ? 95  THR A CB   1 
ATOM   1195 O  OG1  . THR A 1 75 ? 8.38374   -9.06739  29.11989 1.000 11.03704 ? 95  THR A OG1  1 
ATOM   1196 C  CG2  . THR A 1 75 ? 9.65795   -7.73452  30.71969 1.000 11.42392 ? 95  THR A CG2  1 
ATOM   1197 H  H    . THR A 1 75 ? 6.91520   -6.73196  28.86902 1.000 9.05510  ? 95  THR A H    1 
ATOM   1198 H  HA   . THR A 1 75 ? 9.53845   -6.10650  28.57642 1.000 10.00018 ? 95  THR A HA   1 
ATOM   1199 H  HB   . THR A 1 75 ? 10.19831  -8.31774  28.86822 1.000 12.30471 ? 95  THR A HB   1 
ATOM   1200 H  HG1  . THR A 1 75 ? 8.73329   -9.81153  29.29215 1.000 13.25484 ? 95  THR A HG1  1 
ATOM   1201 H  HG21 . THR A 1 75 ? 10.13213  -8.48219  31.11596 1.000 13.71909 ? 95  THR A HG21 1 
ATOM   1202 H  HG22 . THR A 1 75 ? 10.20699  -6.93835  30.79431 1.000 13.71909 ? 95  THR A HG22 1 
ATOM   1203 H  HG23 . THR A 1 75 ? 8.83063   -7.59309  31.20593 1.000 13.71909 ? 95  THR A HG23 1 
ATOM   1204 N  N    . MET A 1 76 ? 9.62994   -7.43004  26.32462 1.000 8.75278  ? 96  MET A N    1 
ATOM   1205 C  CA   . MET A 1 76 ? 9.46585   -7.90844  24.96791 1.000 8.91656  ? 96  MET A CA   1 
ATOM   1206 C  C    . MET A 1 76 ? 10.31848  -9.13904  24.76025 1.000 9.46808  ? 96  MET A C    1 
ATOM   1207 O  O    . MET A 1 76 ? 11.34640  -9.32412  25.42017 1.000 10.69775 ? 96  MET A O    1 
ATOM   1208 C  CB   . MET A 1 76 ? 9.79640   -6.84882  23.91831 1.000 9.56431  ? 96  MET A CB   1 
ATOM   1209 C  CG   . MET A 1 76 ? 11.22349  -6.33533  23.96523 1.000 11.75113 ? 96  MET A CG   1 
ATOM   1210 S  SD   . MET A 1 76 ? 11.48886  -5.13445  22.65868 1.000 14.39108 ? 96  MET A SD   1 
ATOM   1211 C  CE   . MET A 1 76 ? 13.25456  -5.25846  22.39644 1.000 15.05137 ? 96  MET A CE   1 
ATOM   1212 H  H    . MET A 1 76 ? 10.44610  -7.36870  26.58865 1.000 10.51373 ? 96  MET A H    1 
ATOM   1213 H  HA   . MET A 1 76 ? 8.53395   -8.14293  24.83575 1.000 10.71026 ? 96  MET A HA   1 
ATOM   1214 H  HB2  . MET A 1 76 ? 9.65191   -7.23075  23.03845 1.000 11.48756 ? 96  MET A HB2  1 
ATOM   1215 H  HB3  . MET A 1 76 ? 9.20789   -6.08925  24.05099 1.000 11.48756 ? 96  MET A HB3  1 
ATOM   1216 H  HG2  . MET A 1 76 ? 11.38831  -5.90707  24.81983 1.000 14.11174 ? 96  MET A HG2  1 
ATOM   1217 H  HG3  . MET A 1 76 ? 11.84021  -7.07342  23.83960 1.000 14.11174 ? 96  MET A HG3  1 
ATOM   1218 H  HE1  . MET A 1 76 ? 13.49841  -4.71872  21.62825 1.000 18.07203 ? 96  MET A HE1  1 
ATOM   1219 H  HE2  . MET A 1 76 ? 13.71467  -4.93564  23.18700 1.000 18.07203 ? 96  MET A HE2  1 
ATOM   1220 H  HE3  . MET A 1 76 ? 13.48545  -6.18668  22.23523 1.000 18.07203 ? 96  MET A HE3  1 
ATOM   1221 N  N    . GLN A 1 77 ? 9.88276   -9.96069  23.81065 1.000 10.01230 ? 97  GLN A N    1 
ATOM   1222 C  CA   . GLN A 1 77 ? 10.62867  -11.15278 23.45478 1.000 11.11759 ? 97  GLN A CA   1 
ATOM   1223 C  C    . GLN A 1 77 ? 10.31794  -11.53284 22.02038 1.000 10.42422 ? 97  GLN A C    1 
ATOM   1224 O  O    . GLN A 1 77 ? 9.29289   -11.14285 21.44460 1.000 10.88725 ? 97  GLN A O    1 
ATOM   1225 C  CB   . GLN A 1 77 ? 10.33176  -12.31036 24.39982 1.000 14.04718 ? 97  GLN A CB   1 
ATOM   1226 C  CG   . GLN A 1 77 ? 8.91214   -12.75726 24.39652 1.000 17.88588 ? 97  GLN A CG   1 
ATOM   1227 C  CD   . GLN A 1 77 ? 8.65458   -13.72991 25.52129 1.000 21.46359 ? 97  GLN A CD   1 
ATOM   1228 O  OE1  . GLN A 1 77 ? 9.01113   -13.47488 26.67770 1.000 22.44898 ? 97  GLN A OE1  1 
ATOM   1229 N  NE2  . GLN A 1 77 ? 8.05003   -14.85711 25.19646 1.000 22.87252 ? 97  GLN A NE2  1 
ATOM   1230 H  H    . GLN A 1 77 ? 9.15872   -9.84649  23.36085 1.000 12.02515 ? 97  GLN A H    1 
ATOM   1231 H  HA   . GLN A 1 77 ? 11.57749  -10.95875 23.50953 1.000 13.35149 ? 97  GLN A HA   1 
ATOM   1232 H  HB2  . GLN A 1 77 ? 10.87879  -13.06865 24.14167 1.000 16.86701 ? 97  GLN A HB2  1 
ATOM   1233 H  HB3  . GLN A 1 77 ? 10.55090  -12.03568 25.30393 1.000 16.86701 ? 97  GLN A HB3  1 
ATOM   1234 H  HG2  . GLN A 1 77 ? 8.33085   -11.98961 24.51359 1.000 21.47344 ? 97  GLN A HG2  1 
ATOM   1235 H  HG3  . GLN A 1 77 ? 8.71366   -13.19855 23.55582 1.000 21.47344 ? 97  GLN A HG3  1 
ATOM   1236 H  HE21 . GLN A 1 77 ? 7.82535   -15.00463 24.37954 1.000 27.45741 ? 97  GLN A HE21 1 
ATOM   1237 H  HE22 . GLN A 1 77 ? 7.88074   -15.44416 25.80171 1.000 27.45741 ? 97  GLN A HE22 1 
ATOM   1238 N  N    . GLN A 1 78 ? 11.21678  -12.31638 21.44185 1.000 11.20446 ? 98  GLN A N    1 
ATOM   1239 C  CA   . GLN A 1 78 ? 10.97712  -12.82780 20.10713 1.000 11.71285 ? 98  GLN A CA   1 
ATOM   1240 C  C    . GLN A 1 78 ? 9.78567   -13.77970 20.13316 1.000 13.11627 ? 98  GLN A C    1 
ATOM   1241 O  O    . GLN A 1 78 ? 9.62353   -14.56800 21.07007 1.000 14.07961 ? 98  GLN A O    1 
ATOM   1242 C  CB   . GLN A 1 78 ? 12.21297  -13.55403 19.60501 1.000 13.93665 ? 98  GLN A CB   1 
ATOM   1243 C  CG   . GLN A 1 78 ? 12.15239  -13.85675 18.12718 1.000 16.76005 ? 98  GLN A CG   1 
ATOM   1244 C  CD   . GLN A 1 78 ? 13.28618  -14.73383 17.68502 1.000 19.25081 ? 98  GLN A CD   1 
ATOM   1245 O  OE1  . GLN A 1 78 ? 14.43015  -14.52208 18.07211 1.000 19.54759 ? 98  GLN A OE1  1 
ATOM   1246 N  NE2  . GLN A 1 78 ? 12.98496  -15.72906 16.87031 1.000 21.46861 ? 98  GLN A NE2  1 
ATOM   1247 H  H    . GLN A 1 78 ? 11.96075  -12.56151 21.79685 1.000 13.45574 ? 98  GLN A H    1 
ATOM   1248 H  HA   . GLN A 1 78 ? 10.78354  -12.09992 19.49589 1.000 14.06581 ? 98  GLN A HA   1 
ATOM   1249 H  HB2  . GLN A 1 78 ? 12.99231  -12.99950 19.76634 1.000 16.73437 ? 98  GLN A HB2  1 
ATOM   1250 H  HB3  . GLN A 1 78 ? 12.29996  -14.39496 20.08057 1.000 16.73437 ? 98  GLN A HB3  1 
ATOM   1251 H  HG2  . GLN A 1 78 ? 11.32037  -14.31447 17.92936 1.000 20.12245 ? 98  GLN A HG2  1 
ATOM   1252 H  HG3  . GLN A 1 78 ? 12.20033  -13.02566 17.62929 1.000 20.12245 ? 98  GLN A HG3  1 
ATOM   1253 H  HE21 . GLN A 1 78 ? 12.17101  -15.84813 16.61949 1.000 25.77272 ? 98  GLN A HE21 1 
ATOM   1254 H  HE22 . GLN A 1 78 ? 13.60280  -16.25793 16.59071 1.000 25.77272 ? 98  GLN A HE22 1 
ATOM   1255 N  N    . ASP A 1 79 ? 8.95487   -13.70515 19.08893 1.000 13.74537 ? 99  ASP A N    1 
ATOM   1256 C  CA   . ASP A 1 79 ? 7.80783   -14.59273 18.92215 1.000 17.89031 ? 99  ASP A CA   1 
ATOM   1257 C  C    . ASP A 1 79 ? 8.20725   -15.77105 18.04090 1.000 23.02113 ? 99  ASP A C    1 
ATOM   1258 O  O    . ASP A 1 79 ? 8.77280   -15.58182 16.95780 1.000 25.50408 ? 99  ASP A O    1 
ATOM   1259 C  CB   . ASP A 1 79 ? 6.64749   -13.85407 18.25372 1.000 18.98421 ? 99  ASP A CB   1 
ATOM   1260 C  CG   . ASP A 1 79 ? 5.30977   -14.55929 18.44199 1.000 20.23946 ? 99  ASP A CG   1 
ATOM   1261 O  OD1  . ASP A 1 79 ? 5.19540   -15.43250 19.32299 1.000 20.33936 ? 99  ASP A OD1  1 
ATOM   1262 O  OD2  . ASP A 1 79 ? 4.36006   -14.23371 17.69795 1.000 21.31852 ? 99  ASP A OD2  1 
ATOM   1263 H  H    . ASP A 1 79 ? 9.03917   -13.13470 18.45090 1.000 16.50483 ? 99  ASP A H    1 
ATOM   1264 H  HA   . ASP A 1 79 ? 7.52316   -14.91316 19.79232 1.000 21.47876 ? 99  ASP A HA   1 
ATOM   1265 H  HB2  . ASP A 1 79 ? 6.57489   -12.96652 18.63827 1.000 22.79143 ? 99  ASP A HB2  1 
ATOM   1266 H  HB3  . ASP A 1 79 ? 6.82082   -13.78990 17.30149 1.000 22.79143 ? 99  ASP A HB3  1 
ATOM   1267 N  N    . ARG A 1 80 ? 7.88353   -16.97729 18.48615 1.000 25.91890 ? 100 ARG A N    1 
ATOM   1268 C  CA   . ARG A 1 80 ? 8.36219   -18.19525 17.84357 1.000 29.27044 ? 100 ARG A CA   1 
ATOM   1269 C  C    . ARG A 1 80 ? 7.26041   -18.89964 17.06647 1.000 30.75329 ? 100 ARG A C    1 
ATOM   1270 O  O    . ARG A 1 80 ? 6.09476   -18.50758 17.13281 1.000 31.49727 ? 100 ARG A O    1 
ATOM   1271 C  CB   . ARG A 1 80 ? 8.96099   -19.10272 18.90770 1.000 31.16490 ? 100 ARG A CB   1 
ATOM   1272 C  CG   . ARG A 1 80 ? 10.09179  -18.40941 19.65375 1.000 32.41801 ? 100 ARG A CG   1 
ATOM   1273 C  CD   . ARG A 1 80 ? 10.96942  -19.38578 20.36738 1.000 33.24420 ? 100 ARG A CD   1 
ATOM   1274 N  NE   . ARG A 1 80 ? 11.78709  -20.14074 19.42393 1.000 33.56186 ? 100 ARG A NE   1 
ATOM   1275 C  CZ   . ARG A 1 80 ? 12.44124  -21.26409 19.69643 1.000 33.77249 ? 100 ARG A CZ   1 
ATOM   1276 N  NH1  . ARG A 1 80 ? 12.39107  -21.83217 20.89317 1.000 33.83241 ? 100 ARG A NH1  1 
ATOM   1277 N  NH2  . ARG A 1 80 ? 13.16370  -21.83765 18.73832 1.000 33.67156 ? 100 ARG A NH2  1 
ATOM   1278 O  OXT  . ARG A 1 80 ? 7.53018   -19.85433 16.33638 1.000 31.11360 ? 100 ARG A OXT  1 
ATOM   1279 H  H    . ARG A 1 80 ? 7.38056   -17.12072 19.16884 1.000 31.11307 ? 100 ARG A H    1 
ATOM   1280 H  HA   . ARG A 1 80 ? 9.04885   -17.98172 17.19257 1.000 35.13491 ? 100 ARG A HA   1 
ATOM   1281 H  HB2  . ARG A 1 80 ? 8.27358   -19.34351 19.54832 1.000 37.40827 ? 100 ARG A HB2  1 
ATOM   1282 H  HB3  . ARG A 1 80 ? 9.31605   -19.90100 18.48630 1.000 37.40827 ? 100 ARG A HB3  1 
ATOM   1283 H  HG2  . ARG A 1 80 ? 10.63781  -17.91709 19.02099 1.000 38.91200 ? 100 ARG A HG2  1 
ATOM   1284 H  HG3  . ARG A 1 80 ? 9.71657   -17.80245 20.31079 1.000 38.91200 ? 100 ARG A HG3  1 
ATOM   1285 H  HD2  . ARG A 1 80 ? 11.55929  -18.90830 20.97151 1.000 39.90342 ? 100 ARG A HD2  1 
ATOM   1286 H  HD3  . ARG A 1 80 ? 10.41936  -20.01044 20.86550 1.000 39.90342 ? 100 ARG A HD3  1 
ATOM   1287 H  HE   . ARG A 1 80 ? 11.85089  -19.83230 18.62369 1.000 40.28462 ? 100 ARG A HE   1 
ATOM   1288 H  HH11 . ARG A 1 80 ? 11.92498  -21.47310 21.52041 1.000 40.60928 ? 100 ARG A HH11 1 
ATOM   1289 H  HH12 . ARG A 1 80 ? 12.82462  -22.55977 21.04228 1.000 40.60928 ? 100 ARG A HH12 1 
ATOM   1290 H  HH21 . ARG A 1 80 ? 13.20202  -21.48090 17.95674 1.000 40.41626 ? 100 ARG A HH21 1 
ATOM   1291 H  HH22 . ARG A 1 80 ? 13.59253  -22.56528 18.90036 1.000 40.41626 ? 100 ARG A HH22 1 
ATOM   1292 N  N    . GLU B 1 4  ? -1.73279  -24.10600 31.71622 1.000 49.40593 ? 24  GLU B N    1 
ATOM   1293 C  CA   . GLU B 1 4  ? -2.31336  -24.11064 30.37637 1.000 48.55804 ? 24  GLU B CA   1 
ATOM   1294 C  C    . GLU B 1 4  ? -1.86778  -22.88374 29.56870 1.000 46.16908 ? 24  GLU B C    1 
ATOM   1295 O  O    . GLU B 1 4  ? -2.36996  -21.77815 29.78365 1.000 47.22289 ? 24  GLU B O    1 
ATOM   1296 C  CB   . GLU B 1 4  ? -3.84137  -24.14315 30.46945 1.000 49.38620 ? 24  GLU B CB   1 
ATOM   1297 H  HA   . GLU B 1 4  ? -2.01181  -24.90235 29.90397 1.000 58.28004 ? 24  GLU B HA   1 
ATOM   1298 N  N    . ALA B 1 5  ? -0.93158  -23.08236 28.63890 1.000 41.87309 ? 25  ALA B N    1 
ATOM   1299 C  CA   . ALA B 1 5  ? -0.42175  -21.97154 27.84668 1.000 36.63400 ? 25  ALA B CA   1 
ATOM   1300 C  C    . ALA B 1 5  ? -1.50927  -21.44688 26.90226 1.000 29.88985 ? 25  ALA B C    1 
ATOM   1301 O  O    . ALA B 1 5  ? -2.39353  -22.20120 26.49291 1.000 30.18278 ? 25  ALA B O    1 
ATOM   1302 C  CB   . ALA B 1 5  ? 0.77289   -22.42378 27.01357 1.000 37.54006 ? 25  ALA B CB   1 
ATOM   1303 H  H    . ALA B 1 5  ? -0.58030  -23.84460 28.45129 1.000 50.25809 ? 25  ALA B H    1 
ATOM   1304 H  HA   . ALA B 1 5  ? -0.14486  -21.25491 28.43886 1.000 43.97119 ? 25  ALA B HA   1 
ATOM   1305 H  HB1  . ALA B 1 5  ? 1.10122   -21.67087 26.49759 1.000 45.05846 ? 25  ALA B HB1  1 
ATOM   1306 H  HB2  . ALA B 1 5  ? 1.46851   -22.74599 27.60787 1.000 45.05846 ? 25  ALA B HB2  1 
ATOM   1307 H  HB3  . ALA B 1 5  ? 0.49109   -23.13541 26.41769 1.000 45.05846 ? 25  ALA B HB3  1 
ATOM   1308 N  N    . PRO B 1 6  ? -1.47165  -20.16276 26.53333 1.000 23.27877 ? 26  PRO B N    1 
ATOM   1309 C  CA   . PRO B 1 6  ? -2.52718  -19.62907 25.67186 1.000 18.35800 ? 26  PRO B CA   1 
ATOM   1310 C  C    . PRO B 1 6  ? -2.36327  -20.11129 24.24402 1.000 13.30239 ? 26  PRO B C    1 
ATOM   1311 O  O    . PRO B 1 6  ? -1.34362  -20.66218 23.84796 1.000 13.21275 ? 26  PRO B O    1 
ATOM   1312 C  CB   . PRO B 1 6  ? -2.32909  -18.11453 25.75765 1.000 20.54343 ? 26  PRO B CB   1 
ATOM   1313 C  CG   . PRO B 1 6  ? -0.89407  -17.96592 25.96362 1.000 22.82127 ? 26  PRO B CG   1 
ATOM   1314 C  CD   . PRO B 1 6  ? -0.49724  -19.10129 26.87341 1.000 23.30988 ? 26  PRO B CD   1 
ATOM   1315 H  HA   . PRO B 1 6  ? -3.40319  -19.87114 26.01085 1.000 22.03999 ? 26  PRO B HA   1 
ATOM   1316 H  HB2  . PRO B 1 6  ? -2.61170  -17.69189 24.93157 1.000 24.66251 ? 26  PRO B HB2  1 
ATOM   1317 H  HB3  . PRO B 1 6  ? -2.83120  -17.75226 26.50434 1.000 24.66251 ? 26  PRO B HB3  1 
ATOM   1318 H  HG2  . PRO B 1 6  ? -0.43194  -18.02806 25.11305 1.000 27.39591 ? 26  PRO B HG2  1 
ATOM   1319 H  HG3  . PRO B 1 6  ? -0.70891  -17.10963 26.38001 1.000 27.39591 ? 26  PRO B HG3  1 
ATOM   1320 H  HD2  . PRO B 1 6  ? 0.40940   -19.39206 26.68805 1.000 27.98224 ? 26  PRO B HD2  1 
ATOM   1321 H  HD3  . PRO B 1 6  ? -0.57882  -18.84265 27.80473 1.000 27.98224 ? 26  PRO B HD3  1 
ATOM   1322 N  N    . TRP B 1 7  ? -3.41934  -19.88931 23.49243 1.000 11.21588 ? 27  TRP B N    1 
ATOM   1323 C  CA   . TRP B 1 7  ? -3.54355  -20.23674 22.09271 1.000 10.70289 ? 27  TRP B CA   1 
ATOM   1324 C  C    . TRP B 1 7  ? -3.73800  -18.95256 21.29431 1.000 10.22756 ? 27  TRP B C    1 
ATOM   1325 O  O    . TRP B 1 7  ? -4.01813  -17.88649 21.84277 1.000 10.97559 ? 27  TRP B O    1 
ATOM   1326 C  CB   . TRP B 1 7  ? -4.72435  -21.20285 21.89227 1.000 11.16863 ? 27  TRP B CB   1 
ATOM   1327 C  CG   . TRP B 1 7  ? -4.45048  -22.60953 22.38847 1.000 12.33294 ? 27  TRP B CG   1 
ATOM   1328 C  CD1  . TRP B 1 7  ? -4.13240  -23.00014 23.66847 1.000 13.53761 ? 27  TRP B CD1  1 
ATOM   1329 C  CD2  . TRP B 1 7  ? -4.46185  -23.80873 21.60546 1.000 13.57569 ? 27  TRP B CD2  1 
ATOM   1330 N  NE1  . TRP B 1 7  ? -3.95419  -24.35264 23.71600 1.000 14.36545 ? 27  TRP B NE1  1 
ATOM   1331 C  CE2  . TRP B 1 7  ? -4.15480  -24.87255 22.46721 1.000 14.61829 ? 27  TRP B CE2  1 
ATOM   1332 C  CE3  . TRP B 1 7  ? -4.71364  -24.08968 20.26646 1.000 15.08116 ? 27  TRP B CE3  1 
ATOM   1333 C  CZ2  . TRP B 1 7  ? -4.08251  -26.17996 22.03283 1.000 15.91165 ? 27  TRP B CZ2  1 
ATOM   1334 C  CZ3  . TRP B 1 7  ? -4.65194  -25.39057 19.83579 1.000 16.61516 ? 27  TRP B CZ3  1 
ATOM   1335 C  CH2  . TRP B 1 7  ? -4.32998  -26.42178 20.71742 1.000 16.89098 ? 27  TRP B CH2  1 
ATOM   1336 H  H    . TRP B 1 7  ? -4.13081  -19.51022 23.79192 1.000 13.46945 ? 27  TRP B H    1 
ATOM   1337 H  HA   . TRP B 1 7  ? -2.74239  -20.67688 21.76819 1.000 12.85385 ? 27  TRP B HA   1 
ATOM   1338 H  HB2  . TRP B 1 7  ? -5.49253  -20.86196 22.37663 1.000 13.41275 ? 27  TRP B HB2  1 
ATOM   1339 H  HB3  . TRP B 1 7  ? -4.92654  -21.25673 20.94511 1.000 13.41275 ? 27  TRP B HB3  1 
ATOM   1340 H  HD1  . TRP B 1 7  ? -4.05065  -22.42624 24.39569 1.000 16.25551 ? 27  TRP B HD1  1 
ATOM   1341 H  HE1  . TRP B 1 7  ? -3.74886  -24.80486 24.41809 1.000 17.24893 ? 27  TRP B HE1  1 
ATOM   1342 H  HE3  . TRP B 1 7  ? -4.92082  -23.40530 19.67181 1.000 18.10778 ? 27  TRP B HE3  1 
ATOM   1343 H  HZ2  . TRP B 1 7  ? -3.87212  -26.87116 22.61840 1.000 19.10437 ? 27  TRP B HZ2  1 
ATOM   1344 H  HZ3  . TRP B 1 7  ? -4.82718  -25.58740 18.94391 1.000 19.94858 ? 27  TRP B HZ3  1 
ATOM   1345 H  HH2  . TRP B 1 7  ? -4.28341  -27.29431 20.39893 1.000 20.27956 ? 27  TRP B HH2  1 
ATOM   1346 N  N    . VAL B 1 8  ? -3.59710  -19.08323 19.97187 1.000 9.56822  ? 28  VAL B N    1 
ATOM   1347 C  CA   . VAL B 1 8  ? -3.85247  -18.00731 19.03122 1.000 8.91266  ? 28  VAL B CA   1 
ATOM   1348 C  C    . VAL B 1 8  ? -4.76994  -18.50795 17.93300 1.000 8.55900  ? 28  VAL B C    1 
ATOM   1349 O  O    . VAL B 1 8  ? -4.79763  -19.69754 17.62531 1.000 9.78411  ? 28  VAL B O    1 
ATOM   1350 C  CB   . VAL B 1 8  ? -2.55297  -17.45729 18.40115 1.000 10.81333 ? 28  VAL B CB   1 
ATOM   1351 C  CG1  . VAL B 1 8  ? -1.68028  -16.80490 19.45531 1.000 12.10072 ? 28  VAL B CG1  1 
ATOM   1352 C  CG2  . VAL B 1 8  ? -1.79035  -18.54230 17.59888 1.000 12.01163 ? 28  VAL B CG2  1 
ATOM   1353 H  H    . VAL B 1 8  ? -3.34619  -19.81209 19.59054 1.000 11.49225 ? 28  VAL B H    1 
ATOM   1354 H  HA   . VAL B 1 8  ? -4.29766  -17.29053 19.50968 1.000 10.70558 ? 28  VAL B HA   1 
ATOM   1355 H  HB   . VAL B 1 8  ? -2.79429  -16.77158 17.75890 1.000 12.98639 ? 28  VAL B HB   1 
ATOM   1356 H  HG11 . VAL B 1 8  ? -0.89863  -16.42316 19.02614 1.000 14.53126 ? 28  VAL B HG11 1 
ATOM   1357 H  HG12 . VAL B 1 8  ? -2.18824  -16.10729 19.89828 1.000 14.53126 ? 28  VAL B HG12 1 
ATOM   1358 H  HG13 . VAL B 1 8  ? -1.40862  -17.47656 20.10027 1.000 14.53126 ? 28  VAL B HG13 1 
ATOM   1359 H  HG21 . VAL B 1 8  ? -0.88922  -18.22964 17.42251 1.000 14.42435 ? 28  VAL B HG21 1 
ATOM   1360 H  HG22 . VAL B 1 8  ? -1.76078  -19.35900 18.12140 1.000 14.42435 ? 28  VAL B HG22 1 
ATOM   1361 H  HG23 . VAL B 1 8  ? -2.25491  -18.70144 16.76237 1.000 14.42435 ? 28  VAL B HG23 1 
ATOM   1362 N  N    . THR B 1 9  ? -5.49683  -17.56847 17.32646 1.000 8.01592  ? 29  THR B N    1 
ATOM   1363 C  CA   . THR B 1 9  ? -6.24141  -17.76226 16.08831 1.000 7.72716  ? 29  THR B CA   1 
ATOM   1364 C  C    . THR B 1 9  ? -5.53185  -17.01065 14.97889 1.000 7.54022  ? 29  THR B C    1 
ATOM   1365 O  O    . THR B 1 9  ? -5.18447  -15.83719 15.15159 1.000 8.20617  ? 29  THR B O    1 
ATOM   1366 C  CB   . THR B 1 9  ? -7.67807  -17.24852 16.22352 1.000 8.03320  ? 29  THR B CB   1 
ATOM   1367 O  OG1  . THR B 1 9  ? -8.36789  -18.02221 17.20088 1.000 9.38119  ? 29  THR B OG1  1 
ATOM   1368 C  CG2  . THR B 1 9  ? -8.44877  -17.39542 14.94539 1.000 8.86513  ? 29  THR B CG2  1 
ATOM   1369 H  H    . THR B 1 9  ? -5.57621  -16.76860 17.63223 1.000 9.62949  ? 29  THR B H    1 
ATOM   1370 H  HA   . THR B 1 9  ? -6.27522  -18.70631 15.86800 1.000 9.28297  ? 29  THR B HA   1 
ATOM   1371 H  HB   . THR B 1 9  ? -7.63443  -16.31058 16.46694 1.000 9.65022  ? 29  THR B HB   1 
ATOM   1372 H  HG1  . THR B 1 9  ? -8.07954  -17.83895 17.96826 1.000 11.26782 ? 29  THR B HG1  1 
ATOM   1373 H  HG21 . THR B 1 9  ? -9.39790  -17.45759 15.13557 1.000 10.64855 ? 29  THR B HG21 1 
ATOM   1374 H  HG22 . THR B 1 9  ? -8.29195  -16.62791 14.37334 1.000 10.64855 ? 29  THR B HG22 1 
ATOM   1375 H  HG23 . THR B 1 9  ? -8.16791  -18.19825 14.47903 1.000 10.64855 ? 29  THR B HG23 1 
ATOM   1376 N  N    . ILE B 1 10 ? -5.36935  -17.67858 13.84614 1.000 8.05549  ? 30  ILE B N    1 
ATOM   1377 C  CA   . ILE B 1 10 ? -4.68504  -17.15042 12.66846 1.000 8.28216  ? 30  ILE B CA   1 
ATOM   1378 C  C    . ILE B 1 10 ? -5.67962  -17.11875 11.52386 1.000 7.94368  ? 30  ILE B C    1 
ATOM   1379 O  O    . ILE B 1 10 ? -6.37170  -18.09918 11.29180 1.000 9.21132  ? 30  ILE B O    1 
ATOM   1380 C  CB   . ILE B 1 10 ? -3.47370  -18.02955 12.30299 1.000 9.83895  ? 30  ILE B CB   1 
ATOM   1381 C  CG1  . ILE B 1 10 ? -2.42073  -17.96230 13.41799 1.000 12.26018 ? 30  ILE B CG1  1 
ATOM   1382 C  CG2  . ILE B 1 10 ? -2.86330  -17.58984 10.95143 1.000 10.56811 ? 30  ILE B CG2  1 
ATOM   1383 C  CD1  . ILE B 1 10 ? -1.41768  -19.09355 13.37073 1.000 14.55633 ? 30  ILE B CD1  1 
ATOM   1384 H  H    . ILE B 1 10 ? -5.66013  -18.47912 13.72706 1.000 9.67697  ? 30  ILE B H    1 
ATOM   1385 H  HA   . ILE B 1 10 ? -4.38139  -16.24509 12.83896 1.000 9.94898  ? 30  ILE B HA   1 
ATOM   1386 H  HB   . ILE B 1 10 ? -3.77682  -18.94656 12.21292 1.000 11.81713 ? 30  ILE B HB   1 
ATOM   1387 H  HG12 . ILE B 1 10 ? -1.93195  -17.12841 13.33664 1.000 14.72261 ? 30  ILE B HG12 1 
ATOM   1388 H  HG13 . ILE B 1 10 ? -2.87118  -18.00046 14.27621 1.000 14.72261 ? 30  ILE B HG13 1 
ATOM   1389 H  HG21 . ILE B 1 10 ? -1.92964  -17.85170 10.92648 1.000 12.69212 ? 30  ILE B HG21 1 
ATOM   1390 H  HG22 . ILE B 1 10 ? -3.34748  -18.02222 10.23066 1.000 12.69212 ? 30  ILE B HG22 1 
ATOM   1391 H  HG23 . ILE B 1 10 ? -2.93890  -16.62628 10.86934 1.000 12.69212 ? 30  ILE B HG23 1 
ATOM   1392 H  HD11 . ILE B 1 10 ? -0.90023  -19.09129 14.19118 1.000 17.47798 ? 30  ILE B HD11 1 
ATOM   1393 H  HD12 . ILE B 1 10 ? -1.89361  -19.93411 13.28213 1.000 17.47798 ? 30  ILE B HD12 1 
ATOM   1394 H  HD13 . ILE B 1 10 ? -0.83096  -18.96378 12.60927 1.000 17.47798 ? 30  ILE B HD13 1 
ATOM   1395 N  N    . VAL B 1 11 ? -5.73115  -16.00007 10.79860 1.000 7.60252  ? 31  VAL B N    1 
ATOM   1396 C  CA   . VAL B 1 11 ? -6.51632  -15.87860 9.57698  1.000 7.52324  ? 31  VAL B CA   1 
ATOM   1397 C  C    . VAL B 1 11 ? -5.56772  -15.89708 8.38918  1.000 7.51112  ? 31  VAL B C    1 
ATOM   1398 O  O    . VAL B 1 11 ? -4.53143  -15.23191 8.40505  1.000 8.63285  ? 31  VAL B O    1 
ATOM   1399 C  CB   . VAL B 1 11 ? -7.40841  -14.63251 9.59533  1.000 7.73243  ? 31  VAL B CB   1 
ATOM   1400 C  CG1  . VAL B 1 11 ? -8.01614  -14.36165 8.21050  1.000 8.25781  ? 31  VAL B CG1  1 
ATOM   1401 C  CG2  . VAL B 1 11 ? -8.51152  -14.82008 10.61109 1.000 8.46714  ? 31  VAL B CG2  1 
ATOM   1402 H  H    . VAL B 1 11 ? -5.30672  -15.28055 11.00294 1.000 9.13341  ? 31  VAL B H    1 
ATOM   1403 H  HA   . VAL B 1 11 ? -7.10485  -16.64482 9.49078  1.000 9.03827  ? 31  VAL B HA   1 
ATOM   1404 H  HB   . VAL B 1 11 ? -6.86773  -13.86433 9.83715  1.000 9.28931  ? 31  VAL B HB   1 
ATOM   1405 H  HG11 . VAL B 1 11 ? -8.80048  -13.80043 8.31411  1.000 9.91976  ? 31  VAL B HG11 1 
ATOM   1406 H  HG12 . VAL B 1 11 ? -7.35743  -13.91100 7.65921  1.000 9.91976  ? 31  VAL B HG12 1 
ATOM   1407 H  HG13 . VAL B 1 11 ? -8.26526  -15.20651 7.80422  1.000 9.91976  ? 31  VAL B HG13 1 
ATOM   1408 H  HG21 . VAL B 1 11 ? -8.99998  -13.98724 10.70426 1.000 10.17096 ? 31  VAL B HG21 1 
ATOM   1409 H  HG22 . VAL B 1 11 ? -9.10787  -15.52073 10.30392 1.000 10.17096 ? 31  VAL B HG22 1 
ATOM   1410 H  HG23 . VAL B 1 11 ? -8.11825  -15.06986 11.46189 1.000 10.17096 ? 31  VAL B HG23 1 
ATOM   1411 N  N    . TRP B 1 12 ? -5.95853  -16.63652 7.35929  1.000 7.75627  ? 32  TRP B N    1 
ATOM   1412 C  CA   . TRP B 1 12 ? -5.17233  -16.84971 6.14911  1.000 8.29332  ? 32  TRP B CA   1 
ATOM   1413 C  C    . TRP B 1 12 ? -5.78378  -16.08702 4.97845  1.000 8.25403  ? 32  TRP B C    1 
ATOM   1414 O  O    . TRP B 1 12 ? -6.99906  -16.04733 4.81993  1.000 9.37487  ? 32  TRP B O    1 
ATOM   1415 C  CB   . TRP B 1 12 ? -5.13537  -18.34393 5.82987  1.000 9.12700  ? 32  TRP B CB   1 
ATOM   1416 C  CG   . TRP B 1 12 ? -4.47963  -19.12986 6.92779  1.000 10.06819 ? 32  TRP B CG   1 
ATOM   1417 C  CD1  . TRP B 1 12 ? -5.07698  -19.62262 8.04575  1.000 10.59941 ? 32  TRP B CD1  1 
ATOM   1418 C  CD2  . TRP B 1 12 ? -3.08660  -19.43676 7.05483  1.000 11.68684 ? 32  TRP B CD2  1 
ATOM   1419 N  NE1  . TRP B 1 12 ? -4.15070  -20.23889 8.84748  1.000 11.90631 ? 32  TRP B NE1  1 
ATOM   1420 C  CE2  . TRP B 1 12 ? -2.92102  -20.14051 8.25975  1.000 12.42743 ? 32  TRP B CE2  1 
ATOM   1421 C  CE3  . TRP B 1 12 ? -1.97364  -19.22691 6.23567  1.000 13.86858 ? 32  TRP B CE3  1 
ATOM   1422 C  CZ2  . TRP B 1 12 ? -1.68506  -20.62356 8.67485  1.000 14.38038 ? 32  TRP B CZ2  1 
ATOM   1423 C  CZ3  . TRP B 1 12 ? -0.76167  -19.71641 6.63930  1.000 15.59206 ? 32  TRP B CZ3  1 
ATOM   1424 C  CH2  . TRP B 1 12 ? -0.61636  -20.38873 7.85857  1.000 16.07825 ? 32  TRP B CH2  1 
ATOM   1425 H  H    . TRP B 1 12 ? -6.71418  -17.04646 7.33593  1.000 9.31791  ? 32  TRP B H    1 
ATOM   1426 H  HA   . TRP B 1 12 ? -4.26881  -16.51875 6.27169  1.000 9.96237  ? 32  TRP B HA   1 
ATOM   1427 H  HB2  . TRP B 1 12 ? -6.04232  -18.67035 5.72127  1.000 10.96279 ? 32  TRP B HB2  1 
ATOM   1428 H  HB3  . TRP B 1 12 ? -4.63225  -18.48404 5.01247  1.000 10.96279 ? 32  TRP B HB3  1 
ATOM   1429 H  HD1  . TRP B 1 12 ? -5.98393  -19.55179 8.23892  1.000 12.72968 ? 32  TRP B HD1  1 
ATOM   1430 H  HE1  . TRP B 1 12 ? -4.31670  -20.62453 9.59802  1.000 14.29796 ? 32  TRP B HE1  1 
ATOM   1431 H  HE3  . TRP B 1 12 ? -2.05535  -18.76423 5.43308  1.000 16.65268 ? 32  TRP B HE3  1 
ATOM   1432 H  HZ2  . TRP B 1 12 ? -1.59036  -21.08738 9.47535  1.000 17.26684 ? 32  TRP B HZ2  1 
ATOM   1433 H  HZ3  . TRP B 1 12 ? -0.01866  -19.60010 6.09221  1.000 18.72086 ? 32  TRP B HZ3  1 
ATOM   1434 H  HH2  . TRP B 1 12 ? 0.22712   -20.68196 8.11830  1.000 19.30429 ? 32  TRP B HH2  1 
ATOM   1435 N  N    . ASP B 1 13 ? -4.93239  -15.53798 4.11864  1.000 8.57621  ? 33  ASP B N    1 
ATOM   1436 C  CA   . ASP B 1 13 ? -5.39098  -14.71273 3.01643  1.000 9.06294  ? 33  ASP B CA   1 
ATOM   1437 C  C    . ASP B 1 13 ? -6.15020  -15.53259 1.98279  1.000 9.07163  ? 33  ASP B C    1 
ATOM   1438 O  O    . ASP B 1 13 ? -5.64128  -16.52418 1.46280  1.000 11.13854 ? 33  ASP B O    1 
ATOM   1439 C  CB   . ASP B 1 13 ? -4.18581  -14.06335 2.34799  1.000 10.56374 ? 33  ASP B CB   1 
ATOM   1440 C  CG   . ASP B 1 13 ? -4.57923  -13.06671 1.27595  1.000 13.27997 ? 33  ASP B CG   1 
ATOM   1441 O  OD1  . ASP B 1 13 ? -5.45752  -12.22545 1.53228  1.000 14.38504 ? 33  ASP B OD1  1 
ATOM   1442 O  OD2  . ASP B 1 13 ? -3.99337  -13.12185 0.17471  1.000 16.10262 ? 33  ASP B OD2  1 
ATOM   1443 H  H    . ASP B 1 13 ? -4.07812  -15.63042 4.15428  1.000 10.30184 ? 33  ASP B H    1 
ATOM   1444 H  HA   . ASP B 1 13 ? -5.99306  -14.03451 3.36054  1.000 10.88591 ? 33  ASP B HA   1 
ATOM   1445 H  HB2  . ASP B 1 13 ? -3.66679  -13.59325 3.01919  1.000 12.68688 ? 33  ASP B HB2  1 
ATOM   1446 H  HB3  . ASP B 1 13 ? -3.64444  -14.75292 1.93288  1.000 12.68688 ? 33  ASP B HB3  1 
ATOM   1447 N  N    . ASP B 1 14 ? -7.32388  -15.03958 1.61144  1.000 9.31461  ? 34  ASP B N    1 
ATOM   1448 C  CA   . ASP B 1 14 ? -8.13680  -15.56168 0.52322  1.000 9.70607  ? 34  ASP B CA   1 
ATOM   1449 C  C    . ASP B 1 14 ? -8.31498  -14.35845 -0.40982 1.000 12.59298 ? 34  ASP B C    1 
ATOM   1450 O  O    . ASP B 1 14 ? -9.00430  -13.39335 -0.02758 1.000 12.60720 ? 34  ASP B O    1 
ATOM   1451 C  CB   . ASP B 1 14 ? -9.48194  -16.04952 1.05684  1.000 10.01839 ? 34  ASP B CB   1 
ATOM   1452 C  CG   . ASP B 1 14 ? -10.47281 -16.42064 -0.04000 1.000 10.97357 ? 34  ASP B CG   1 
ATOM   1453 O  OD1  . ASP B 1 14 ? -10.16158 -16.36868 -1.23698 1.000 12.19280 ? 34  ASP B OD1  1 
ATOM   1454 O  OD2  . ASP B 1 14 ? -11.59758 -16.81235 0.33744  1.000 12.51928 ? 34  ASP B OD2  1 
ATOM   1455 H  H    . ASP B 1 14 ? -7.69148  -14.36416 1.99650  1.000 11.18792 ? 34  ASP B H    1 
ATOM   1456 H  HA   . ASP B 1 14 ? -7.73242  -16.31452 0.06429  1.000 11.65767 ? 34  ASP B HA   1 
ATOM   1457 H  HB2  . ASP B 1 14 ? -9.33502  -16.83756 1.60302  1.000 12.03245 ? 34  ASP B HB2  1 
ATOM   1458 H  HB3  . ASP B 1 14 ? -9.88094  -15.34517 1.59124  1.000 12.03245 ? 34  ASP B HB3  1 
ATOM   1459 N  N    . PRO B 1 15 ? -7.77873  -14.37164 -1.62839 1.000 17.12106 ? 35  PRO B N    1 
ATOM   1460 C  CA   . PRO B 1 15 ? -7.90209  -13.18355 -2.48819 1.000 20.03937 ? 35  PRO B CA   1 
ATOM   1461 C  C    . PRO B 1 15 ? -9.32342  -12.83313 -2.90960 1.000 20.28710 ? 35  PRO B C    1 
ATOM   1462 O  O    . PRO B 1 15 ? -9.52132  -11.71714 -3.40576 1.000 21.89499 ? 35  PRO B O    1 
ATOM   1463 C  CB   . PRO B 1 15 ? -7.03026  -13.53318 -3.70103 1.000 21.81616 ? 35  PRO B CB   1 
ATOM   1464 C  CG   . PRO B 1 15 ? -6.95329  -15.00981 -3.69733 1.000 22.34324 ? 35  PRO B CG   1 
ATOM   1465 C  CD   . PRO B 1 15 ? -6.90021  -15.37020 -2.25292 1.000 20.26553 ? 35  PRO B CD   1 
ATOM   1466 H  HA   . PRO B 1 15 ? -7.52572  -12.41811 -2.02629 1.000 24.05763 ? 35  PRO B HA   1 
ATOM   1467 H  HB2  . PRO B 1 15 ? -7.44844  -13.20863 -4.51386 1.000 26.18978 ? 35  PRO B HB2  1 
ATOM   1468 H  HB3  . PRO B 1 15 ? -6.14983  -13.13865 -3.60056 1.000 26.18978 ? 35  PRO B HB3  1 
ATOM   1469 H  HG2  . PRO B 1 15 ? -7.73968  -15.38603 -4.12270 1.000 26.82227 ? 35  PRO B HG2  1 
ATOM   1470 H  HG3  . PRO B 1 15 ? -6.15312  -15.30343 -4.16039 1.000 26.82227 ? 35  PRO B HG3  1 
ATOM   1471 H  HD2  . PRO B 1 15 ? -7.23828  -16.26769 -2.10758 1.000 24.32902 ? 35  PRO B HD2  1 
ATOM   1472 H  HD3  . PRO B 1 15 ? -5.99539  -15.29711 -1.91108 1.000 24.32902 ? 35  PRO B HD3  1 
ATOM   1473 N  N    . VAL B 1 16 ? -10.30134 -13.72990 -2.73927 1.000 19.29841 ? 36  VAL B N    1 
ATOM   1474 C  CA   . VAL B 1 16 ? -11.68117 -13.42707 -3.11562 1.000 20.63641 ? 36  VAL B CA   1 
ATOM   1475 C  C    . VAL B 1 16 ? -12.28185 -12.34816 -2.22309 1.000 19.65369 ? 36  VAL B C    1 
ATOM   1476 O  O    . VAL B 1 16 ? -13.11443 -11.56293 -2.67960 1.000 20.63641 ? 36  VAL B O    1 
ATOM   1477 C  CB   . VAL B 1 16 ? -12.53012 -14.71679 -3.10423 1.000 23.60009 ? 36  VAL B CB   1 
ATOM   1478 C  CG1  . VAL B 1 16 ? -14.01933 -14.40814 -3.32358 1.000 25.29688 ? 36  VAL B CG1  1 
ATOM   1479 C  CG2  . VAL B 1 16 ? -12.00604 -15.70209 -4.15009 1.000 24.08314 ? 36  VAL B CG2  1 
ATOM   1480 H  H    . VAL B 1 16 ? -10.19125 -14.51647 -2.40942 1.000 23.16848 ? 36  VAL B H    1 
ATOM   1481 H  HA   . VAL B 1 16 ? -11.67523 -13.07593 -4.01982 1.000 24.77408 ? 36  VAL B HA   1 
ATOM   1482 H  HB   . VAL B 1 16 ? -12.45378 -15.13294 -2.23137 1.000 28.33050 ? 36  VAL B HB   1 
ATOM   1483 H  HG11 . VAL B 1 16 ? -14.45808 -15.20019 -3.67151 1.000 30.36664 ? 36  VAL B HG11 1 
ATOM   1484 H  HG12 . VAL B 1 16 ? -14.41748 -14.15475 -2.47614 1.000 30.36664 ? 36  VAL B HG12 1 
ATOM   1485 H  HG13 . VAL B 1 16 ? -14.10060 -13.67919 -3.95834 1.000 30.36664 ? 36  VAL B HG13 1 
ATOM   1486 H  HG21 . VAL B 1 16 ? -12.59634 -16.47109 -4.18325 1.000 28.91015 ? 36  VAL B HG21 1 
ATOM   1487 H  HG22 . VAL B 1 16 ? -11.98546 -15.26335 -5.01495 1.000 28.91015 ? 36  VAL B HG22 1 
ATOM   1488 H  HG23 . VAL B 1 16 ? -11.11169 -15.98217 -3.89990 1.000 28.91015 ? 36  VAL B HG23 1 
ATOM   1489 N  N    . ASN B 1 17 ? -11.90503 -12.28226 -0.95222 1.000 17.94666 ? 37  ASN B N    1 
ATOM   1490 C  CA   . ASN B 1 17 ? -12.57729 -11.35959 -0.05240 1.000 17.11245 ? 37  ASN B CA   1 
ATOM   1491 C  C    . ASN B 1 17 ? -12.19834 -9.92661  -0.33008 1.000 17.06403 ? 37  ASN B C    1 
ATOM   1492 O  O    . ASN B 1 17 ? -11.03852 -9.61833  -0.63139 1.000 18.28718 ? 37  ASN B O    1 
ATOM   1493 C  CB   . ASN B 1 17 ? -12.17705 -11.64019 1.37691  1.000 16.75603 ? 37  ASN B CB   1 
ATOM   1494 C  CG   . ASN B 1 17 ? -12.69054 -12.92886 1.84079  1.000 17.13067 ? 37  ASN B CG   1 
ATOM   1495 O  OD1  . ASN B 1 17 ? -13.85202 -13.25162 1.61000  1.000 18.81083 ? 37  ASN B OD1  1 
ATOM   1496 N  ND2  . ASN B 1 17 ? -11.84704 -13.70340 2.47995  1.000 15.98100 ? 37  ASN B ND2  1 
ATOM   1497 H  H    . ASN B 1 17 ? -11.27780 -12.75027 -0.59564 1.000 21.54637 ? 37  ASN B H    1 
ATOM   1498 H  HA   . ASN B 1 17 ? -13.53199 -11.47641 -0.17812 1.000 20.54533 ? 37  ASN B HA   1 
ATOM   1499 H  HB2  . ASN B 1 17 ? -11.20930 -11.65765 1.44060  1.000 20.11762 ? 37  ASN B HB2  1 
ATOM   1500 H  HB3  . ASN B 1 17 ? -12.53488 -10.94551 1.95160  1.000 20.11762 ? 37  ASN B HB3  1 
ATOM   1501 H  HD21 . ASN B 1 17 ? -11.03707 -13.44406 2.60760  1.000 19.18758 ? 37  ASN B HD21 1 
ATOM   1502 H  HD22 . ASN B 1 17 ? -12.10388 -14.47066 2.77143  1.000 19.18758 ? 37  ASN B HD22 1 
ATOM   1503 N  N    . LEU B 1 18 ? -13.18353 -9.04736  -0.18249 1.000 15.37285 ? 38  LEU B N    1 
ATOM   1504 C  CA   . LEU B 1 18 ? -12.90010 -7.62971  -0.15662 1.000 14.13202 ? 38  LEU B CA   1 
ATOM   1505 C  C    . LEU B 1 18 ? -12.15006 -7.30884  1.11563  1.000 13.15719 ? 38  LEU B C    1 
ATOM   1506 O  O    . LEU B 1 18 ? -12.48972 -7.79779  2.20064  1.000 13.08222 ? 38  LEU B O    1 
ATOM   1507 C  CB   . LEU B 1 18 ? -14.19964 -6.83295  -0.18390 1.000 14.11549 ? 38  LEU B CB   1 
ATOM   1508 C  CG   . LEU B 1 18 ? -15.02417 -6.95525  -1.46137 1.000 14.87988 ? 38  LEU B CG   1 
ATOM   1509 C  CD1  . LEU B 1 18 ? -16.38023 -6.29920  -1.28348 1.000 15.36618 ? 38  LEU B CD1  1 
ATOM   1510 C  CD2  . LEU B 1 18 ? -14.28624 -6.35868  -2.64881 1.000 17.10247 ? 38  LEU B CD2  1 
ATOM   1511 H  H    . LEU B 1 18 ? -14.01499 -9.24955  -0.09654 1.000 18.45780 ? 38  LEU B H    1 
ATOM   1512 H  HA   . LEU B 1 18 ? -12.37082 -7.37762  -0.92942 1.000 16.96881 ? 38  LEU B HA   1 
ATOM   1513 H  HB2  . LEU B 1 18 ? -14.75725 -7.13652  0.54947  1.000 16.94898 ? 38  LEU B HB2  1 
ATOM   1514 H  HB3  . LEU B 1 18 ? -13.98275 -5.89448  -0.06933 1.000 16.94898 ? 38  LEU B HB3  1 
ATOM   1515 H  HG   . LEU B 1 18 ? -15.16698 -7.89587  -1.65043 1.000 17.86624 ? 38  LEU B HG   1 
ATOM   1516 H  HD11 . LEU B 1 18 ? -16.88947 -6.39939  -2.10295 1.000 18.44980 ? 38  LEU B HD11 1 
ATOM   1517 H  HD12 . LEU B 1 18 ? -16.84586 -6.73039  -0.54988 1.000 18.44980 ? 38  LEU B HD12 1 
ATOM   1518 H  HD13 . LEU B 1 18 ? -16.25233 -5.35806  -1.08649 1.000 18.44980 ? 38  LEU B HD13 1 
ATOM   1519 H  HD21 . LEU B 1 18 ? -14.90370 -6.26840  -3.39143 1.000 20.53336 ? 38  LEU B HD21 1 
ATOM   1520 H  HD22 . LEU B 1 18 ? -13.93888 -5.48793  -2.39972 1.000 20.53336 ? 38  LEU B HD22 1 
ATOM   1521 H  HD23 . LEU B 1 18 ? -13.55619 -6.94786  -2.89538 1.000 20.53336 ? 38  LEU B HD23 1 
ATOM   1522 N  N    . MET B 1 19 ? -11.14757 -6.45331  0.98165  1.000 13.78276 ? 39  MET B N    1 
ATOM   1523 C  CA   . MET B 1 19 ? -10.45283 -5.96395  2.16045  1.000 14.10829 ? 39  MET B CA   1 
ATOM   1524 C  C    . MET B 1 19 ? -11.40671 -5.28833  3.13294  1.000 12.17012 ? 39  MET B C    1 
ATOM   1525 O  O    . MET B 1 19 ? -11.27927 -5.45479  4.35122  1.000 12.06620 ? 39  MET B O    1 
ATOM   1526 C  CB   . MET B 1 19 ? -9.34421  -5.01905  1.73922  1.000 17.65927 ? 39  MET B CB   1 
ATOM   1527 C  CG   . MET B 1 19 ? -8.17332  -5.74341  1.10732  1.000 22.57066 ? 39  MET B CG   1 
ATOM   1528 S  SD   . MET B 1 19 ? -7.06534  -4.67864  0.17953  1.000 27.07890 ? 39  MET B SD   1 
ATOM   1529 C  CE   . MET B 1 19 ? -6.81489  -3.33203  1.32850  1.000 27.62769 ? 39  MET B CE   1 
ATOM   1530 H  H    . MET B 1 19 ? -10.85494 -6.14587  0.23369  1.000 16.54970 ? 39  MET B H    1 
ATOM   1531 H  HA   . MET B 1 19 ? -10.04595 -6.71651  2.61763  1.000 16.94034 ? 39  MET B HA   1 
ATOM   1532 H  HB2  . MET B 1 19 ? -9.69472  -4.38912  1.09019  1.000 21.20151 ? 39  MET B HB2  1 
ATOM   1533 H  HB3  . MET B 1 19 ? -9.01905  -4.54438  2.52015  1.000 21.20151 ? 39  MET B HB3  1 
ATOM   1534 H  HG2  . MET B 1 19 ? -7.65481  -6.16724  1.80904  1.000 27.09518 ? 39  MET B HG2  1 
ATOM   1535 H  HG3  . MET B 1 19 ? -8.51610  -6.41457  0.49663  1.000 27.09518 ? 39  MET B HG3  1 
ATOM   1536 H  HE1  . MET B 1 19 ? -6.09930  -2.76554  0.99998  1.000 33.16362 ? 39  MET B HE1  1 
ATOM   1537 H  HE2  . MET B 1 19 ? -7.63592  -2.82033  1.39913  1.000 33.16362 ? 39  MET B HE2  1 
ATOM   1538 H  HE3  . MET B 1 19 ? -6.57675  -3.69660  2.19526  1.000 33.16362 ? 39  MET B HE3  1 
ATOM   1539 N  N    . SER B 1 20 ? -12.39951 -4.56036  2.61194  1.000 10.84144 ? 40  SER B N    1 
ATOM   1540 C  CA   A SER B 1 20 ? -13.36070 -3.90285  3.48673  0.858 10.52579 ? 40  SER B CA   1 
ATOM   1541 C  CA   B SER B 1 20 ? -13.35331 -3.90168  3.49492  0.142 10.34076 ? 40  SER B CA   1 
ATOM   1542 C  C    . SER B 1 20 ? -14.17146 -4.90704  4.29333  1.000 9.37676  ? 40  SER B C    1 
ATOM   1543 O  O    . SER B 1 20 ? -14.51300 -4.64801  5.45181  1.000 9.25946  ? 40  SER B O    1 
ATOM   1544 C  CB   A SER B 1 20 ? -14.31092 -3.02169  2.68018  0.858 10.56906 ? 40  SER B CB   1 
ATOM   1545 C  CB   B SER B 1 20 ? -14.25542 -2.98151  2.68596  0.142 10.64374 ? 40  SER B CB   1 
ATOM   1546 O  OG   A SER B 1 20 ? -15.10393 -3.77589  1.78928  0.858 10.07530 ? 40  SER B OG   1 
ATOM   1547 O  OG   B SER B 1 20 ? -13.47842 -1.92335  2.16267  0.142 10.77205 ? 40  SER B OG   1 
ATOM   1548 H  H    . SER B 1 20 ? -12.53562 -4.43423  1.77220  1.000 13.02012 ? 40  SER B H    1 
ATOM   1549 H  HA   . SER B 1 20 ? -12.85997 -3.34178  4.09941  1.000 12.41930 ? 40  SER B HA   1 
ATOM   1550 H  HB2  A SER B 1 20 ? -14.89547 -2.55085  3.29459  0.858 12.69326 ? 40  SER B HB2  1 
ATOM   1551 H  HB2  B SER B 1 20 ? -14.65582 -3.48024  1.95668  0.142 12.78287 ? 40  SER B HB2  1 
ATOM   1552 H  HB3  A SER B 1 20 ? -13.78664 -2.38616  2.16818  0.858 12.69326 ? 40  SER B HB3  1 
ATOM   1553 H  HB3  B SER B 1 20 ? -14.94834 -2.62052  3.26080  0.142 12.78287 ? 40  SER B HB3  1 
ATOM   1554 H  HG   A SER B 1 20 ? -15.60316 -3.26560  1.34659  0.858 12.10075 ? 40  SER B HG   1 
ATOM   1555 H  HG   B SER B 1 20 ? -13.93107 -1.48001  1.61116  0.142 12.93684 ? 40  SER B HG   1 
ATOM   1556 N  N    . TYR B 1 21 ? -14.49318 -6.05617  3.69908  1.000 9.01548  ? 41  TYR B N    1 
ATOM   1557 C  CA   . TYR B 1 21 ? -15.21321 -7.09160  4.42256  1.000 8.91237  ? 41  TYR B CA   1 
ATOM   1558 C  C    . TYR B 1 21 ? -14.37221 -7.63190  5.57206  1.000 8.10132  ? 41  TYR B C    1 
ATOM   1559 O  O    . TYR B 1 21 ? -14.87207 -7.82181  6.68186  1.000 8.29403  ? 41  TYR B O    1 
ATOM   1560 C  CB   . TYR B 1 21 ? -15.59847 -8.22391  3.47622  1.000 9.19614  ? 41  TYR B CB   1 
ATOM   1561 C  CG   . TYR B 1 21 ? -16.40053 -9.28394  4.17706  1.000 9.13765  ? 41  TYR B CG   1 
ATOM   1562 C  CD1  . TYR B 1 21 ? -17.64934 -9.00856  4.70949  1.000 9.82163  ? 41  TYR B CD1  1 
ATOM   1563 C  CD2  . TYR B 1 21 ? -15.90542 -10.57259 4.30849  1.000 9.44548  ? 41  TYR B CD2  1 
ATOM   1564 C  CE1  . TYR B 1 21 ? -18.38742 -9.97761  5.35678  1.000 9.98317  ? 41  TYR B CE1  1 
ATOM   1565 C  CE2  . TYR B 1 21 ? -16.63368 -11.55651 4.95756  1.000 9.87996  ? 41  TYR B CE2  1 
ATOM   1566 C  CZ   . TYR B 1 21 ? -17.87867 -11.25278 5.47969  1.000 9.92524  ? 41  TYR B CZ   1 
ATOM   1567 O  OH   . TYR B 1 21 ? -18.62742 -12.18722 6.15038  1.000 11.41230 ? 41  TYR B OH   1 
ATOM   1568 H  H    . TYR B 1 21 ? -14.30620 -6.25661  2.88393  1.000 10.82896 ? 41  TYR B H    1 
ATOM   1569 H  HA   . TYR B 1 21 ? -16.02848 -6.71163  4.78568  1.000 10.70524 ? 41  TYR B HA   1 
ATOM   1570 H  HB2  . TYR B 1 21 ? -16.13379 -7.86628  2.75065  1.000 11.04575 ? 41  TYR B HB2  1 
ATOM   1571 H  HB3  . TYR B 1 21 ? -14.79329 -8.63403  3.12354  1.000 11.04575 ? 41  TYR B HB3  1 
ATOM   1572 H  HD1  . TYR B 1 21 ? -17.99830 -8.15031  4.62866  1.000 11.79635 ? 41  TYR B HD1  1 
ATOM   1573 H  HD2  . TYR B 1 21 ? -15.07055 -10.77987 3.95504  1.000 11.34496 ? 41  TYR B HD2  1 
ATOM   1574 H  HE1  . TYR B 1 21 ? -19.22348 -9.77177  5.70823  1.000 11.99020 ? 41  TYR B HE1  1 
ATOM   1575 H  HE2  . TYR B 1 21 ? -16.28792 -12.41573 5.04180  1.000 11.86633 ? 41  TYR B HE2  1 
ATOM   1576 H  HH   . TYR B 1 21 ? -18.21628 -12.91923 6.17739  1.000 13.70515 ? 41  TYR B HH   1 
ATOM   1577 N  N    . VAL B 1 22 ? -13.09760 -7.89696  5.31744  1.000 8.09946  ? 42  VAL B N    1 
ATOM   1578 C  CA   . VAL B 1 22 ? -12.21941 -8.45697  6.34170  1.000 7.82555  ? 42  VAL B CA   1 
ATOM   1579 C  C    . VAL B 1 22 ? -12.10252 -7.50054  7.52482  1.000 7.84068  ? 42  VAL B C    1 
ATOM   1580 O  O    . VAL B 1 22 ? -12.21077 -7.91258  8.68632  1.000 7.92573  ? 42  VAL B O    1 
ATOM   1581 C  CB   . VAL B 1 22 ? -10.85448 -8.83596  5.73656  1.000 8.64806  ? 42  VAL B CB   1 
ATOM   1582 C  CG1  . VAL B 1 22 ? -9.90164  -9.31351  6.83156  1.000 9.12497  ? 42  VAL B CG1  1 
ATOM   1583 C  CG2  . VAL B 1 22 ? -11.02643 -9.90994  4.67196  1.000 10.12578 ? 42  VAL B CG2  1 
ATOM   1584 H  H    . VAL B 1 22 ? -12.71310 -7.76280  4.55997  1.000 9.72974  ? 42  VAL B H    1 
ATOM   1585 H  HA   . VAL B 1 22 ? -12.61413 -9.27588  6.68006  1.000 9.40105  ? 42  VAL B HA   1 
ATOM   1586 H  HB   . VAL B 1 22 ? -10.46639 -8.05230  5.31685  1.000 10.38806 ? 42  VAL B HB   1 
ATOM   1587 H  HG11 . VAL B 1 22 ? -9.17607  -9.81157  6.42368  1.000 10.96036 ? 42  VAL B HG11 1 
ATOM   1588 H  HG12 . VAL B 1 22 ? -9.54956  -8.54196  7.30237  1.000 10.96036 ? 42  VAL B HG12 1 
ATOM   1589 H  HG13 . VAL B 1 22 ? -10.38854 -9.88306  7.44755  1.000 10.96036 ? 42  VAL B HG13 1 
ATOM   1590 H  HG21 . VAL B 1 22 ? -10.15615 -10.13621 4.30818  1.000 12.16133 ? 42  VAL B HG21 1 
ATOM   1591 H  HG22 . VAL B 1 22 ? -11.42984 -10.69386 5.07647  1.000 12.16133 ? 42  VAL B HG22 1 
ATOM   1592 H  HG23 . VAL B 1 22 ? -11.60032 -9.56830  3.96852  1.000 12.16133 ? 42  VAL B HG23 1 
ATOM   1593 N  N    . THR B 1 23 ? -11.90736 -6.20790  7.25362  1.000 7.93025  ? 43  THR B N    1 
ATOM   1594 C  CA   . THR B 1 23 ? -11.84596 -5.21400  8.32922  1.000 8.45482  ? 43  THR B CA   1 
ATOM   1595 C  C    . THR B 1 23 ? -13.11990 -5.22970  9.15878  1.000 7.88070  ? 43  THR B C    1 
ATOM   1596 O  O    . THR B 1 23 ? -13.07561 -5.25831  10.39449 1.000 8.32734  ? 43  THR B O    1 
ATOM   1597 C  CB   . THR B 1 23 ? -11.62821 -3.82429  7.73842  1.000 9.86219  ? 43  THR B CB   1 
ATOM   1598 O  OG1  . THR B 1 23 ? -10.39846 -3.83737  7.01571  1.000 10.85945 ? 43  THR B OG1  1 
ATOM   1599 C  CG2  . THR B 1 23 ? -11.57390 -2.76195  8.81470  1.000 10.68194 ? 43  THR B CG2  1 
ATOM   1600 H  H    . THR B 1 23 ? -11.80838 -5.88227  6.46383  1.000 9.52668  ? 43  THR B H    1 
ATOM   1601 H  HA   . THR B 1 23 ? -11.09708 -5.42740  8.90762  1.000 10.15617 ? 43  THR B HA   1 
ATOM   1602 H  HB   . THR B 1 23 ? -12.36725 -3.59628  7.15299  1.000 11.84502 ? 43  THR B HB   1 
ATOM   1603 H  HG1  . THR B 1 23 ? -10.51673 -4.16984  6.25342  1.000 13.04173 ? 43  THR B HG1  1 
ATOM   1604 H  HG21 . THR B 1 23 ? -11.17411 -1.95186  8.46138  1.000 12.82871 ? 43  THR B HG21 1 
ATOM   1605 H  HG22 . THR B 1 23 ? -12.46972 -2.56040  9.12741  1.000 12.82871 ? 43  THR B HG22 1 
ATOM   1606 H  HG23 . THR B 1 23 ? -11.04216 -3.07486  9.56319  1.000 12.82871 ? 43  THR B HG23 1 
ATOM   1607 N  N    . TYR B 1 24 ? -14.26463 -5.21131  8.47867  1.000 8.06794  ? 44  TYR B N    1 
ATOM   1608 C  CA   . TYR B 1 24 ? -15.55146 -5.25700  9.14777  1.000 8.02323  ? 44  TYR B CA   1 
ATOM   1609 C  C    . TYR B 1 24 ? -15.68082 -6.50184  10.02003 1.000 7.69545  ? 44  TYR B C    1 
ATOM   1610 O  O    . TYR B 1 24 ? -16.08164 -6.39985  11.18255 1.000 8.03830  ? 44  TYR B O    1 
ATOM   1611 C  CB   . TYR B 1 24 ? -16.67578 -5.18102  8.11436  1.000 8.79309  ? 44  TYR B CB   1 
ATOM   1612 C  CG   . TYR B 1 24 ? -17.98717 -5.64826  8.67395  1.000 9.66533  ? 44  TYR B CG   1 
ATOM   1613 C  CD1  . TYR B 1 24 ? -18.58391 -4.98407  9.73460  1.000 10.99566 ? 44  TYR B CD1  1 
ATOM   1614 C  CD2  . TYR B 1 24 ? -18.60060 -6.79542  8.18765  1.000 11.72755 ? 44  TYR B CD2  1 
ATOM   1615 C  CE1  . TYR B 1 24 ? -19.76807 -5.43680  10.29049 1.000 13.20492 ? 44  TYR B CE1  1 
ATOM   1616 C  CE2  . TYR B 1 24 ? -19.79802 -7.24365  8.73207  1.000 14.05129 ? 44  TYR B CE2  1 
ATOM   1617 C  CZ   . TYR B 1 24 ? -20.36383 -6.55493  9.78498  1.000 14.85016 ? 44  TYR B CZ   1 
ATOM   1618 O  OH   . TYR B 1 24 ? -21.55121 -6.98723  10.33304 1.000 17.98769 ? 44  TYR B OH   1 
ATOM   1619 H  H    . TYR B 1 24 ? -14.31998 -5.17227  7.62134  1.000 9.69191  ? 44  TYR B H    1 
ATOM   1620 H  HA   . TYR B 1 24 ? -15.63153 -4.48625  9.73123  1.000 9.63826  ? 44  TYR B HA   1 
ATOM   1621 H  HB2  . TYR B 1 24 ? -16.78014 -4.26131  7.82429  1.000 10.56209 ? 44  TYR B HB2  1 
ATOM   1622 H  HB3  . TYR B 1 24 ? -16.45108 -5.74422  7.35725  1.000 10.56209 ? 44  TYR B HB3  1 
ATOM   1623 H  HD1  . TYR B 1 24 ? -18.18101 -4.21995  10.07912 1.000 13.20518 ? 44  TYR B HD1  1 
ATOM   1624 H  HD2  . TYR B 1 24 ? -18.20612 -7.26831  7.49076  1.000 14.08345 ? 44  TYR B HD2  1 
ATOM   1625 H  HE1  . TYR B 1 24 ? -20.15471 -4.98186  11.00355 1.000 15.85629 ? 44  TYR B HE1  1 
ATOM   1626 H  HE2  . TYR B 1 24 ? -20.21436 -8.00143  8.38954  1.000 16.87194 ? 44  TYR B HE2  1 
ATOM   1627 H  HH   . TYR B 1 24 ? -21.84001 -7.65053  9.90616  1.000 21.59562 ? 44  TYR B HH   1 
ATOM   1628 N  N    . VAL B 1 25 ? -15.35339 -7.67969  9.48027  1.000 7.44473  ? 45  VAL B N    1 
ATOM   1629 C  CA   . VAL B 1 25 ? -15.48158 -8.91483  10.25498 1.000 7.31967  ? 45  VAL B CA   1 
ATOM   1630 C  C    . VAL B 1 25 ? -14.63616 -8.84617  11.51750 1.000 6.91694  ? 45  VAL B C    1 
ATOM   1631 O  O    . VAL B 1 25 ? -15.07311 -9.27783  12.58323 1.000 7.38320  ? 45  VAL B O    1 
ATOM   1632 C  CB   . VAL B 1 25 ? -15.13409 -10.13514 9.38820  1.000 7.87179  ? 45  VAL B CB   1 
ATOM   1633 C  CG1  . VAL B 1 25 ? -15.03011 -11.39057 10.23507 1.000 8.38299  ? 45  VAL B CG1  1 
ATOM   1634 C  CG2  . VAL B 1 25 ? -16.19379 -10.33296 8.32728  1.000 8.94945  ? 45  VAL B CG2  1 
ATOM   1635 H  H    . VAL B 1 25 ? -15.05904 -7.78892  8.67963  1.000 8.94407  ? 45  VAL B H    1 
ATOM   1636 H  HA   . VAL B 1 25 ? -16.40705 -9.00867  10.52993 1.000 8.79399  ? 45  VAL B HA   1 
ATOM   1637 H  HB   . VAL B 1 25 ? -14.27589 -9.97716  8.96460  1.000 9.45654  ? 45  VAL B HB   1 
ATOM   1638 H  HG11 . VAL B 1 25 ? -15.13263 -12.16698 9.66273  1.000 10.06997 ? 45  VAL B HG11 1 
ATOM   1639 H  HG12 . VAL B 1 25 ? -14.16131 -11.40974 10.66603 1.000 10.06997 ? 45  VAL B HG12 1 
ATOM   1640 H  HG13 . VAL B 1 25 ? -15.73147 -11.37857 10.90503 1.000 10.06997 ? 45  VAL B HG13 1 
ATOM   1641 H  HG21 . VAL B 1 25 ? -15.90279 -11.02754 7.71590  1.000 10.74972 ? 45  VAL B HG21 1 
ATOM   1642 H  HG22 . VAL B 1 25 ? -17.02386 -10.59534 8.75509  1.000 10.74972 ? 45  VAL B HG22 1 
ATOM   1643 H  HG23 . VAL B 1 25 ? -16.31849 -9.49989  7.84628  1.000 10.74972 ? 45  VAL B HG23 1 
ATOM   1644 N  N    . PHE B 1 26 ? -13.40860 -8.34012  11.42210 1.000 7.18835  ? 46  PHE B N    1 
ATOM   1645 C  CA   . PHE B 1 26 ? -12.57004 -8.25170  12.61128 1.000 7.40741  ? 46  PHE B CA   1 
ATOM   1646 C  C    . PHE B 1 26 ? -13.16516 -7.32462  13.65767 1.000 7.99034  ? 46  PHE B C    1 
ATOM   1647 O  O    . PHE B 1 26 ? -13.11084 -7.62258  14.85277 1.000 8.72377  ? 46  PHE B O    1 
ATOM   1648 C  CB   . PHE B 1 26 ? -11.15418 -7.84127  12.23096 1.000 7.86953  ? 46  PHE B CB   1 
ATOM   1649 C  CG   . PHE B 1 26 ? -10.36709 -8.85617  11.42049 1.000 7.33864  ? 46  PHE B CG   1 
ATOM   1650 C  CD1  . PHE B 1 26 ? -10.77306 -10.17702 11.23209 1.000 7.73279  ? 46  PHE B CD1  1 
ATOM   1651 C  CD2  . PHE B 1 26 ? -9.17863  -8.45832  10.82916 1.000 7.75629  ? 46  PHE B CD2  1 
ATOM   1652 C  CE1  . PHE B 1 26 ? -10.01175 -11.05670 10.49901 1.000 7.73450  ? 46  PHE B CE1  1 
ATOM   1653 C  CE2  . PHE B 1 26 ? -8.39975  -9.34661  10.10852 1.000 8.03286  ? 46  PHE B CE2  1 
ATOM   1654 C  CZ   . PHE B 1 26 ? -8.82860  -10.65670 9.95426  1.000 7.74624  ? 46  PHE B CZ   1 
ATOM   1655 H  H    . PHE B 1 26 ? -13.04685 -8.04834  10.69850 1.000 8.63640  ? 46  PHE B H    1 
ATOM   1656 H  HA   . PHE B 1 26 ? -12.51450 -9.13125  13.01650 1.000 8.89928  ? 46  PHE B HA   1 
ATOM   1657 H  HB2  . PHE B 1 26 ? -11.20459 -7.02898  11.70318 1.000 9.45383  ? 46  PHE B HB2  1 
ATOM   1658 H  HB3  . PHE B 1 26 ? -10.65599 -7.67647  13.04677 1.000 9.45383  ? 46  PHE B HB3  1 
ATOM   1659 H  HD1  . PHE B 1 26 ? -11.57217 -10.46779 11.60861 1.000 9.28974  ? 46  PHE B HD1  1 
ATOM   1660 H  HD2  . PHE B 1 26 ? -8.89866  -7.57598  10.91848 1.000 9.31794  ? 46  PHE B HD2  1 
ATOM   1661 H  HE1  . PHE B 1 26 ? -10.30619 -11.92999 10.37426 1.000 9.29179  ? 46  PHE B HE1  1 
ATOM   1662 H  HE2  . PHE B 1 26 ? -7.59665  -9.06794  9.73133  1.000 9.64982  ? 46  PHE B HE2  1 
ATOM   1663 H  HZ   . PHE B 1 26 ? -8.30793  -11.26282 9.47842  1.000 9.30588  ? 46  PHE B HZ   1 
ATOM   1664 N  N    . GLN B 1 27 ? -13.75698 -6.19991  13.23497 1.000 7.83933  ? 47  GLN B N    1 
ATOM   1665 C  CA   . GLN B 1 27 ? -14.44355 -5.33855  14.18539 1.000 8.32971  ? 47  GLN B CA   1 
ATOM   1666 C  C    . GLN B 1 27 ? -15.67186 -6.01723  14.77782 1.000 9.08536  ? 47  GLN B C    1 
ATOM   1667 O  O    . GLN B 1 27 ? -15.92341 -5.92227  15.98284 1.000 10.48485 ? 47  GLN B O    1 
ATOM   1668 C  CB   . GLN B 1 27 ? -14.84646 -4.02434  13.53400 1.000 8.40098  ? 47  GLN B CB   1 
ATOM   1669 C  CG   . GLN B 1 27 ? -13.69226 -3.13863  13.18503 1.000 8.91650  ? 47  GLN B CG   1 
ATOM   1670 C  CD   . GLN B 1 27 ? -14.16247 -1.69139  13.12070 1.000 10.70164 ? 47  GLN B CD   1 
ATOM   1671 O  OE1  . GLN B 1 27 ? -14.62187 -1.20243  12.10080 1.000 11.65513 ? 47  GLN B OE1  1 
ATOM   1672 N  NE2  . GLN B 1 27 ? -14.08529 -1.01587  14.24581 1.000 11.74756 ? 47  GLN B NE2  1 
ATOM   1673 H  H    . GLN B 1 27 ? -13.77173 -5.92445  12.42041 1.000 9.41758  ? 47  GLN B H    1 
ATOM   1674 H  HA   . GLN B 1 27 ? -13.82246 -5.14258  14.90425 1.000 10.00604 ? 47  GLN B HA   1 
ATOM   1675 H  HB2  . GLN B 1 27 ? -15.32777 -4.21838  12.71449 1.000 10.09156 ? 47  GLN B HB2  1 
ATOM   1676 H  HB3  . GLN B 1 27 ? -15.41823 -3.53613  14.14689 1.000 10.09156 ? 47  GLN B HB3  1 
ATOM   1677 H  HG2  . GLN B 1 27 ? -13.00317 -3.21452  13.86349 1.000 10.71019 ? 47  GLN B HG2  1 
ATOM   1678 H  HG3  . GLN B 1 27 ? -13.33470 -3.39087  12.31934 1.000 10.71019 ? 47  GLN B HG3  1 
ATOM   1679 H  HE21 . GLN B 1 27 ? -13.78376 -1.39609  14.95582 1.000 14.10746 ? 47  GLN B HE21 1 
ATOM   1680 H  HE22 . GLN B 1 27 ? -14.33633 -0.19374  14.27184 1.000 14.10746 ? 47  GLN B HE22 1 
ATOM   1681 N  N    . LYS B 1 28 ? -16.44770 -6.69713  13.93651 1.000 8.95990  ? 48  LYS B N    1 
ATOM   1682 C  CA   A LYS B 1 28 ? -17.69258 -7.30197  14.39221 0.496 10.62540 ? 48  LYS B CA   1 
ATOM   1683 C  CA   B LYS B 1 28 ? -17.69302 -7.31164  14.38242 0.504 9.56021  ? 48  LYS B CA   1 
ATOM   1684 C  C    . LYS B 1 28 ? -17.42965 -8.43922  15.37326 1.000 9.72153  ? 48  LYS B C    1 
ATOM   1685 O  O    . LYS B 1 28 ? -18.10018 -8.54163  16.40478 1.000 11.94216 ? 48  LYS B O    1 
ATOM   1686 C  CB   A LYS B 1 28 ? -18.50130 -7.79971  13.19240 0.496 13.70863 ? 48  LYS B CB   1 
ATOM   1687 C  CB   B LYS B 1 28 ? -18.43952 -7.86265  13.15854 0.504 10.72603 ? 48  LYS B CB   1 
ATOM   1688 C  CG   A LYS B 1 28 ? -19.94702 -8.24318  13.51392 0.496 17.12742 ? 48  LYS B CG   1 
ATOM   1689 C  CG   B LYS B 1 28 ? -19.81961 -8.51716  13.42475 0.504 13.15379 ? 48  LYS B CG   1 
ATOM   1690 C  CD   A LYS B 1 28 ? -20.83817 -7.06916  13.95648 0.496 19.70904 ? 48  LYS B CD   1 
ATOM   1691 C  CD   B LYS B 1 28 ? -20.28257 -9.39514  12.26867 0.504 15.39371 ? 48  LYS B CD   1 
ATOM   1692 C  CE   A LYS B 1 28 ? -22.30000 -7.45175  14.16880 0.496 21.94545 ? 48  LYS B CE   1 
ATOM   1693 C  CE   B LYS B 1 28 ? -21.70879 -9.88076  12.48703 0.504 16.97567 ? 48  LYS B CE   1 
ATOM   1694 N  NZ   A LYS B 1 28 ? -22.96310 -8.00179  12.95934 0.496 23.46473 ? 48  LYS B NZ   1 
ATOM   1695 N  NZ   B LYS B 1 28 ? -21.81205 -11.35087 12.33866 0.504 17.58060 ? 48  LYS B NZ   1 
ATOM   1696 H  H    . LYS B 1 28 ? -16.27838 -6.81895  13.10219 1.000 10.76226 ? 48  LYS B H    1 
ATOM   1697 H  HA   . LYS B 1 28 ? -18.21642 -6.62715  14.85167 1.000 11.48263 ? 48  LYS B HA   1 
ATOM   1698 H  HB2  A LYS B 1 28 ? -18.55554 -7.08318  12.54083 0.496 16.46074 ? 48  LYS B HB2  1 
ATOM   1699 H  HB2  B LYS B 1 28 ? -18.58729 -7.12935  12.54102 0.504 12.88163 ? 48  LYS B HB2  1 
ATOM   1700 H  HB3  A LYS B 1 28 ? -18.04204 -8.56305  12.80862 0.496 16.46074 ? 48  LYS B HB3  1 
ATOM   1701 H  HB3  B LYS B 1 28 ? -17.88013 -8.53796  12.74388 0.504 12.88163 ? 48  LYS B HB3  1 
ATOM   1702 H  HG2  A LYS B 1 28 ? -20.34186 -8.63802  12.72076 0.496 20.56329 ? 48  LYS B HG2  1 
ATOM   1703 H  HG2  B LYS B 1 28 ? -19.75992 -9.07198  14.21816 0.504 15.79494 ? 48  LYS B HG2  1 
ATOM   1704 H  HG3  A LYS B 1 28 ? -19.92711 -8.89342  14.23343 0.496 20.56329 ? 48  LYS B HG3  1 
ATOM   1705 H  HG3  B LYS B 1 28 ? -20.48126 -7.82016  13.55633 0.504 15.79494 ? 48  LYS B HG3  1 
ATOM   1706 H  HD2  A LYS B 1 28 ? -20.49992 -6.71905  14.79547 0.496 23.66124 ? 48  LYS B HD2  1 
ATOM   1707 H  HD2  B LYS B 1 28 ? -20.25533 -8.88454  11.44439 0.504 18.48284 ? 48  LYS B HD2  1 
ATOM   1708 H  HD3  A LYS B 1 28 ? -20.80951 -6.38049  13.27398 0.496 23.66124 ? 48  LYS B HD3  1 
ATOM   1709 H  HD3  B LYS B 1 28 ? -19.70238 -10.16933 12.19869 0.504 18.48284 ? 48  LYS B HD3  1 
ATOM   1710 H  HE2  A LYS B 1 28 ? -22.34736 -8.12730  14.86327 0.496 26.34493 ? 48  LYS B HE2  1 
ATOM   1711 H  HE2  B LYS B 1 28 ? -21.99468 -9.64407  13.38322 0.504 20.38119 ? 48  LYS B HE2  1 
ATOM   1712 H  HE3  A LYS B 1 28 ? -22.79239 -6.66145  14.44061 0.496 26.34493 ? 48  LYS B HE3  1 
ATOM   1713 H  HE3  B LYS B 1 28 ? -22.29255 -9.46662  11.83235 0.504 20.38119 ? 48  LYS B HE3  1 
ATOM   1714 H  HZ1  A LYS B 1 28 ? -22.54964 -8.74494  12.69690 0.496 28.16806 ? 48  LYS B HZ1  1 
ATOM   1715 H  HZ1  B LYS B 1 28 ? -21.72209 -11.57749 11.48271 0.504 21.10711 ? 48  LYS B HZ1  1 
ATOM   1716 H  HZ2  A LYS B 1 28 ? -23.81373 -8.19248  13.13870 0.496 28.16806 ? 48  LYS B HZ2  1 
ATOM   1717 H  HZ2  B LYS B 1 28 ? -21.17278 -11.75022 12.81189 0.504 21.10711 ? 48  LYS B HZ2  1 
ATOM   1718 H  HZ3  A LYS B 1 28 ? -22.93372 -7.40621  12.29864 0.496 28.16806 ? 48  LYS B HZ3  1 
ATOM   1719 H  HZ3  B LYS B 1 28 ? -22.60493 -11.63127 12.62989 0.504 21.10711 ? 48  LYS B HZ3  1 
ATOM   1720 N  N    . LEU B 1 29 ? -16.48630 -9.32456  15.05458 1.000 8.43531  ? 49  LEU B N    1 
ATOM   1721 C  CA   . LEU B 1 29 ? -16.29143 -10.51922 15.85959 1.000 8.47045  ? 49  LEU B CA   1 
ATOM   1722 C  C    . LEU B 1 29 ? -15.46660 -10.26790 17.10526 1.000 9.22956  ? 49  LEU B C    1 
ATOM   1723 O  O    . LEU B 1 29 ? -15.67307 -10.95647 18.10913 1.000 11.31185 ? 49  LEU B O    1 
ATOM   1724 C  CB   . LEU B 1 29 ? -15.61901 -11.62085 15.04639 1.000 8.81129  ? 49  LEU B CB   1 
ATOM   1725 C  CG   . LEU B 1 29 ? -16.41268 -12.15780 13.87065 1.000 10.82217 ? 49  LEU B CG   1 
ATOM   1726 C  CD1  . LEU B 1 29 ? -15.65902 -13.33220 13.25275 1.000 10.10280 ? 49  LEU B CD1  1 
ATOM   1727 C  CD2  . LEU B 1 29 ? -17.82765 -12.56450 14.23112 1.000 12.28068 ? 49  LEU B CD2  1 
ATOM   1728 H  H    . LEU B 1 29 ? -15.95310 -9.25453  14.38347 1.000 10.13276 ? 49  LEU B H    1 
ATOM   1729 H  HA   . LEU B 1 29 ? -17.17206 -10.82353 16.12940 1.000 10.17493 ? 49  LEU B HA   1 
ATOM   1730 H  HB2  . LEU B 1 29 ? -14.78547 -11.27111 14.69455 1.000 10.58394 ? 49  LEU B HB2  1 
ATOM   1731 H  HB3  . LEU B 1 29 ? -15.44150 -12.36837 15.63851 1.000 10.58394 ? 49  LEU B HB3  1 
ATOM   1732 H  HG   . LEU B 1 29 ? -16.50623 -11.44215 13.22259 1.000 12.99699 ? 49  LEU B HG   1 
ATOM   1733 H  HD11 . LEU B 1 29 ? -16.16309 -13.66724 12.49476 1.000 12.13375 ? 49  LEU B HD11 1 
ATOM   1734 H  HD12 . LEU B 1 29 ? -14.78538 -13.02827 12.96073 1.000 12.13375 ? 49  LEU B HD12 1 
ATOM   1735 H  HD13 . LEU B 1 29 ? -15.56073 -14.03013 13.91918 1.000 12.13375 ? 49  LEU B HD13 1 
ATOM   1736 H  HD21 . LEU B 1 29 ? -18.20185 -13.08488 13.50306 1.000 14.74721 ? 49  LEU B HD21 1 
ATOM   1737 H  HD22 . LEU B 1 29 ? -17.80641 -13.09707 15.04156 1.000 14.74721 ? 49  LEU B HD22 1 
ATOM   1738 H  HD23 . LEU B 1 29 ? -18.35912 -11.76574 14.37405 1.000 14.74721 ? 49  LEU B HD23 1 
ATOM   1739 N  N    . PHE B 1 30 ? -14.50970 -9.34809  17.05162 1.000 8.61745  ? 50  PHE B N    1 
ATOM   1740 C  CA   . PHE B 1 30 ? -13.58465 -9.13257  18.15743 1.000 9.13400  ? 50  PHE B CA   1 
ATOM   1741 C  C    . PHE B 1 30 ? -13.77166 -7.78759  18.83801 1.000 9.52153  ? 50  PHE B C    1 
ATOM   1742 O  O    . PHE B 1 30 ? -13.10837 -7.51737  19.83982 1.000 11.19153 ? 50  PHE B O    1 
ATOM   1743 C  CB   . PHE B 1 30 ? -12.13525 -9.27469  17.66882 1.000 9.12371  ? 50  PHE B CB   1 
ATOM   1744 C  CG   . PHE B 1 30 ? -11.87092 -10.56264 16.97002 1.000 9.87785  ? 50  PHE B CG   1 
ATOM   1745 C  CD1  . PHE B 1 30 ? -12.00825 -11.74685 17.62810 1.000 13.18444 ? 50  PHE B CD1  1 
ATOM   1746 C  CD2  . PHE B 1 30 ? -11.49619 -10.59655 15.64829 1.000 9.82856  ? 50  PHE B CD2  1 
ATOM   1747 C  CE1  . PHE B 1 30 ? -11.78601 -12.93471 16.99291 1.000 15.02453 ? 50  PHE B CE1  1 
ATOM   1748 C  CE2  . PHE B 1 30 ? -11.28333 -11.79136 15.01302 1.000 11.61501 ? 50  PHE B CE2  1 
ATOM   1749 C  CZ   . PHE B 1 30 ? -11.43193 -12.95955 15.69170 1.000 14.35488 ? 50  PHE B CZ   1 
ATOM   1750 H  H    . PHE B 1 30 ? -14.37461 -8.83069  16.37809 1.000 10.35133 ? 50  PHE B H    1 
ATOM   1751 H  HA   . PHE B 1 30 ? -13.72898 -9.81726  18.82919 1.000 10.97118 ? 50  PHE B HA   1 
ATOM   1752 H  HB2  . PHE B 1 30 ? -11.94157 -8.55437  17.04870 1.000 10.95883 ? 50  PHE B HB2  1 
ATOM   1753 H  HB3  . PHE B 1 30 ? -11.54040 -9.22326  18.43328 1.000 10.95883 ? 50  PHE B HB3  1 
ATOM   1754 H  HD1  . PHE B 1 30 ? -12.25729 -11.74644 18.52413 1.000 15.83172 ? 50  PHE B HD1  1 
ATOM   1755 H  HD2  . PHE B 1 30 ? -11.38602 -9.80038  15.18046 1.000 11.80465 ? 50  PHE B HD2  1 
ATOM   1756 H  HE1  . PHE B 1 30 ? -11.87949 -13.73286 17.46102 1.000 18.03983 ? 50  PHE B HE1  1 
ATOM   1757 H  HE2  . PHE B 1 30 ? -11.03687 -11.80322 14.11635 1.000 13.94840 ? 50  PHE B HE2  1 
ATOM   1758 H  HZ   . PHE B 1 30 ? -11.29022 -13.77163 15.26118 1.000 17.23625 ? 50  PHE B HZ   1 
ATOM   1759 N  N    . GLY B 1 31 ? -14.62162 -6.91810  18.29114 1.000 9.44009  ? 51  GLY B N    1 
ATOM   1760 C  CA   . GLY B 1 31 ? -14.83143 -5.62019  18.89512 1.000 9.83460  ? 51  GLY B CA   1 
ATOM   1761 C  C    . GLY B 1 31 ? -13.67078 -4.67279  18.73661 1.000 9.22349  ? 51  GLY B C    1 
ATOM   1762 O  O    . GLY B 1 31 ? -13.60677 -3.65962  19.43326 1.000 10.50296 ? 51  GLY B O    1 
ATOM   1763 H  H    . GLY B 1 31 ? -15.08069 -7.06082  17.57806 1.000 11.33850 ? 51  GLY B H    1 
ATOM   1764 H  HA2  . GLY B 1 31 ? -15.61094 -5.20834  18.49060 1.000 11.81191 ? 51  GLY B HA2  1 
ATOM   1765 H  HA3  . GLY B 1 31 ? -14.99341 -5.73840  19.84417 1.000 11.81191 ? 51  GLY B HA3  1 
ATOM   1766 N  N    . TYR B 1 32 ? -12.75229 -4.96810  17.82904 1.000 8.70823  ? 52  TYR B N    1 
ATOM   1767 C  CA   . TYR B 1 32 ? -11.56934 -4.15404  17.66156 1.000 8.48962  ? 52  TYR B CA   1 
ATOM   1768 C  C    . TYR B 1 32 ? -11.89705 -2.77210  17.12753 1.000 8.88272  ? 52  TYR B C    1 
ATOM   1769 O  O    . TYR B 1 32 ? -12.87256 -2.57516  16.39485 1.000 10.23430 ? 52  TYR B O    1 
ATOM   1770 C  CB   . TYR B 1 32 ? -10.59994 -4.82930  16.68327 1.000 8.77304  ? 52  TYR B CB   1 
ATOM   1771 C  CG   . TYR B 1 32 ? -9.96814  -6.12547  17.17661 1.000 8.33132  ? 52  TYR B CG   1 
ATOM   1772 C  CD1  . TYR B 1 32 ? -9.72165  -6.34339  18.52750 1.000 10.17532 ? 52  TYR B CD1  1 
ATOM   1773 C  CD2  . TYR B 1 32 ? -9.57220  -7.10376  16.29781 1.000 8.24759  ? 52  TYR B CD2  1 
ATOM   1774 C  CE1  . TYR B 1 32 ? -9.12183  -7.49470  18.97025 1.000 10.16040 ? 52  TYR B CE1  1 
ATOM   1775 C  CE2  . TYR B 1 32 ? -8.96727  -8.25601  16.73188 1.000 8.26281  ? 52  TYR B CE2  1 
ATOM   1776 C  CZ   . TYR B 1 32 ? -8.73803  -8.44993  18.07274 1.000 9.14539  ? 52  TYR B CZ   1 
ATOM   1777 O  OH   . TYR B 1 32 ? -8.15797  -9.59633  18.56378 1.000 10.82161 ? 52  TYR B OH   1 
ATOM   1778 H  H    . TYR B 1 32 ? -12.79399 -5.64086  17.29495 1.000 10.46026 ? 52  TYR B H    1 
ATOM   1779 H  HA   . TYR B 1 32 ? -11.14912 -4.05257  18.52990 1.000 10.19793 ? 52  TYR B HA   1 
ATOM   1780 H  HB2  . TYR B 1 32 ? -11.08345 -5.03572  15.86809 1.000 10.53803 ? 52  TYR B HB2  1 
ATOM   1781 H  HB3  . TYR B 1 32 ? -9.87783  -4.21023  16.49297 1.000 10.53803 ? 52  TYR B HB3  1 
ATOM   1782 H  HD1  . TYR B 1 32 ? -9.96915  -5.69360  19.14507 1.000 12.22077 ? 52  TYR B HD1  1 
ATOM   1783 H  HD2  . TYR B 1 32 ? -9.71755  -6.98229  15.38730 1.000 9.90750  ? 52  TYR B HD2  1 
ATOM   1784 H  HE1  . TYR B 1 32 ? -8.97680  -7.62460  19.87964 1.000 12.20286 ? 52  TYR B HE1  1 
ATOM   1785 H  HE2  . TYR B 1 32 ? -8.71213  -8.90644  16.11809 1.000 9.92575  ? 52  TYR B HE2  1 
ATOM   1786 H  HH   . TYR B 1 32 ? -8.16967  -10.19798 17.97771 1.000 12.99632 ? 52  TYR B HH   1 
ATOM   1787 N  N    . SER B 1 33 ? -11.03001 -1.83153  17.50603 1.000 9.66211  ? 53  SER B N    1 
ATOM   1788 C  CA   . SER B 1 33 ? -10.97609 -0.51365  16.90621 1.000 10.50956 ? 53  SER B CA   1 
ATOM   1789 C  C    . SER B 1 33 ? -10.77295 -0.65032  15.40622 1.000 10.07822 ? 53  SER B C    1 
ATOM   1790 O  O    . SER B 1 33 ? -10.20137 -1.62357  14.92917 1.000 9.82260  ? 53  SER B O    1 
ATOM   1791 C  CB   . SER B 1 33 ? -9.83196  0.30728   17.54250 1.000 11.45080 ? 53  SER B CB   1 
ATOM   1792 O  OG   . SER B 1 33 ? -8.54659  -0.20809  17.15903 1.000 12.23943 ? 53  SER B OG   1 
ATOM   1793 H  H    . SER B 1 33 ? -10.44656 -1.94116  18.12826 1.000 11.60492 ? 53  SER B H    1 
ATOM   1794 H  HA   . SER B 1 33 ? -11.80348 -0.03159  17.06094 1.000 12.62186 ? 53  SER B HA   1 
ATOM   1795 H  HB2  . SER B 1 33 ? -9.90281  1.22792   17.24533 1.000 13.75134 ? 53  SER B HB2  1 
ATOM   1796 H  HB3  . SER B 1 33 ? -9.91289  0.26319   18.50811 1.000 13.75134 ? 53  SER B HB3  1 
ATOM   1797 H  HG   . SER B 1 33 ? -8.50110  -1.02784  17.33663 1.000 14.69771 ? 53  SER B HG   1 
ATOM   1798 N  N    . GLU B 1 34 ? -11.23111 0.34748   14.66024 1.000 11.00911 ? 54  GLU B N    1 
ATOM   1799 C  CA   . GLU B 1 34 ? -11.02924 0.32500   13.21723 1.000 11.85413 ? 54  GLU B CA   1 
ATOM   1800 C  C    . GLU B 1 34 ? -9.54449  0.32045   12.84790 1.000 11.69122 ? 54  GLU B C    1 
ATOM   1801 O  O    . GLU B 1 34 ? -9.16811  -0.47582  11.96103 1.000 12.01592 ? 54  GLU B O    1 
ATOM   1802 C  CB   . GLU B 1 34 ? -11.86574 1.43323   12.55691 1.000 14.27220 ? 54  GLU B CB   1 
ATOM   1803 C  CG   . GLU B 1 34 ? -12.03621 1.30812   11.06255 1.000 17.60594 ? 54  GLU B CG   1 
ATOM   1804 C  CD   . GLU B 1 34 ? -10.84177 1.78141   10.28692 1.000 20.23060 ? 54  GLU B CD   1 
ATOM   1805 O  OE1  . GLU B 1 34 ? -9.99139  2.50888   10.85764 1.000 20.35127 ? 54  GLU B OE1  1 
ATOM   1806 O  OE2  . GLU B 1 34 ? -10.73240 1.38347   9.11389  1.000 21.66240 ? 54  GLU B OE2  1 
ATOM   1807 H  H    . GLU B 1 34 ? -11.65337 1.03533   14.95715 1.000 13.22132 ? 54  GLU B H    1 
ATOM   1808 H  HA   . GLU B 1 34 ? -11.38378 -0.49652  12.84266 1.000 14.23534 ? 54  GLU B HA   1 
ATOM   1809 H  HB2  . GLU B 1 34 ? -12.75188 1.42376   12.95132 1.000 17.13703 ? 54  GLU B HB2  1 
ATOM   1810 H  HB3  . GLU B 1 34 ? -11.43510 2.28520   12.72899 1.000 17.13703 ? 54  GLU B HB3  1 
ATOM   1811 H  HG2  . GLU B 1 34 ? -12.18484 0.37565   10.84047 1.000 21.13752 ? 54  GLU B HG2  1 
ATOM   1812 H  HG3  . GLU B 1 34 ? -12.79930 1.84027   10.78794 1.000 21.13752 ? 54  GLU B HG3  1 
ATOM   1813 N  N    . PRO B 1 35 ? -8.66013  1.10495   13.49415 1.000 12.02545 ? 55  PRO B N    1 
ATOM   1814 C  CA   . PRO B 1 35 ? -7.24082  1.01994   13.12421 1.000 12.66709 ? 55  PRO B CA   1 
ATOM   1815 C  C    . PRO B 1 35 ? -6.62853  -0.34544  13.37256 1.000 11.67000 ? 55  PRO B C    1 
ATOM   1816 O  O    . PRO B 1 35 ? -5.84957  -0.82124  12.54467 1.000 11.89948 ? 55  PRO B O    1 
ATOM   1817 C  CB   . PRO B 1 35 ? -6.59072  2.12432   13.97092 1.000 13.77235 ? 55  PRO B CB   1 
ATOM   1818 C  CG   . PRO B 1 35 ? -7.66935  3.12882   14.12659 1.000 13.90624 ? 55  PRO B CG   1 
ATOM   1819 C  CD   . PRO B 1 35 ? -8.89361  2.28896   14.34372 1.000 12.85458 ? 55  PRO B CD   1 
ATOM   1820 H  HA   . PRO B 1 35 ? -7.13259  1.24110   12.18598 1.000 15.21089 ? 55  PRO B HA   1 
ATOM   1821 H  HB2  . PRO B 1 35 ? -6.31414  1.76911   14.83013 1.000 16.53720 ? 55  PRO B HB2  1 
ATOM   1822 H  HB3  . PRO B 1 35 ? -5.82651  2.49810   13.50491 1.000 16.53720 ? 55  PRO B HB3  1 
ATOM   1823 H  HG2  . PRO B 1 35 ? -7.49212  3.69869   14.89127 1.000 16.69787 ? 55  PRO B HG2  1 
ATOM   1824 H  HG3  . PRO B 1 35 ? -7.74825  3.66667   13.32322 1.000 16.69787 ? 55  PRO B HG3  1 
ATOM   1825 H  HD2  . PRO B 1 35 ? -8.97380  2.03276   15.27583 1.000 15.43589 ? 55  PRO B HD2  1 
ATOM   1826 H  HD3  . PRO B 1 35 ? -9.69071  2.76355   14.06035 1.000 15.43589 ? 55  PRO B HD3  1 
ATOM   1827 N  N    . HIS B 1 36 ? -6.98832  -1.00509  14.46679 1.000 10.89993 ? 56  HIS B N    1 
ATOM   1828 C  CA   . HIS B 1 36 ? -6.41940  -2.31969  14.72246 1.000 10.26507 ? 56  HIS B CA   1 
ATOM   1829 C  C    . HIS B 1 36 ? -6.95951  -3.36084  13.73822 1.000 9.22285  ? 56  HIS B C    1 
ATOM   1830 O  O    . HIS B 1 36 ? -6.19632  -4.18824  13.22506 1.000 9.75102  ? 56  HIS B O    1 
ATOM   1831 C  CB   . HIS B 1 36 ? -6.67734  -2.74594  16.16657 1.000 10.30619 ? 56  HIS B CB   1 
ATOM   1832 C  CG   . HIS B 1 36 ? -5.89418  -3.95237  16.54696 1.000 10.07564 ? 56  HIS B CG   1 
ATOM   1833 N  ND1  . HIS B 1 36 ? -4.51710  -3.96090  16.54801 1.000 11.65621 ? 56  HIS B ND1  1 
ATOM   1834 C  CD2  . HIS B 1 36 ? -6.28954  -5.20071  16.88626 1.000 10.29216 ? 56  HIS B CD2  1 
ATOM   1835 C  CE1  . HIS B 1 36 ? -4.10236  -5.16597  16.90194 1.000 11.73242 ? 56  HIS B CE1  1 
ATOM   1836 N  NE2  . HIS B 1 36 ? -5.15515  -5.93237  17.12046 1.000 11.08826 ? 56  HIS B NE2  1 
ATOM   1837 H  H    . HIS B 1 36 ? -7.54347  -0.72233  15.05963 1.000 13.09030 ? 56  HIS B H    1 
ATOM   1838 H  HA   . HIS B 1 36 ? -5.45812  -2.26762  14.60355 1.000 12.32847 ? 56  HIS B HA   1 
ATOM   1839 H  HB2  . HIS B 1 36 ? -6.42546  -2.02212  16.76117 1.000 12.37782 ? 56  HIS B HB2  1 
ATOM   1840 H  HB3  . HIS B 1 36 ? -7.61937  -2.95082  16.27380 1.000 12.37782 ? 56  HIS B HB3  1 
ATOM   1841 H  HD2  . HIS B 1 36 ? -7.16614  -5.50495  16.94876 1.000 12.36098 ? 56  HIS B HD2  1 
ATOM   1842 H  HE1  . HIS B 1 36 ? -3.21445  -5.43027  16.98353 1.000 14.08929 ? 56  HIS B HE1  1 
ATOM   1843 H  HE2  . HIS B 1 36 ? -5.13250  -6.75539  17.36892 1.000 13.31630 ? 56  HIS B HE2  1 
ATOM   1844 N  N    . ALA B 1 37 ? -8.26478  -3.32555  13.46153 1.000 9.38038  ? 57  ALA B N    1 
ATOM   1845 C  CA   . ALA B 1 37 ? -8.83536  -4.23206  12.46591 1.000 9.27919  ? 57  ALA B CA   1 
ATOM   1846 C  C    . ALA B 1 37 ? -8.18922  -4.03860  11.09766 1.000 9.40037  ? 57  ALA B C    1 
ATOM   1847 O  O    . ALA B 1 37 ? -7.86735  -5.01709  10.41467 1.000 9.26618  ? 57  ALA B O    1 
ATOM   1848 C  CB   . ALA B 1 37 ? -10.34382 -4.01220  12.39039 1.000 9.14697  ? 57  ALA B CB   1 
ATOM   1849 H  H    . ALA B 1 37 ? -8.83240  -2.79492  13.83008 1.000 11.26684 ? 57  ALA B H    1 
ATOM   1850 H  HA   . ALA B 1 37 ? -8.67094  -5.14884  12.73680 1.000 11.14542 ? 57  ALA B HA   1 
ATOM   1851 H  HB1  . ALA B 1 37 ? -10.72176 -4.63349  11.74847 1.000 10.98675 ? 57  ALA B HB1  1 
ATOM   1852 H  HB2  . ALA B 1 37 ? -10.72973 -4.16657  13.26683 1.000 10.98675 ? 57  ALA B HB2  1 
ATOM   1853 H  HB3  . ALA B 1 37 ? -10.51632 -3.10009  12.10899 1.000 10.98675 ? 57  ALA B HB3  1 
ATOM   1854 N  N    . THR B 1 38 ? -7.95652  -2.78167  10.71337 1.000 9.92350  ? 58  THR B N    1 
ATOM   1855 C  CA   . THR B 1 38 ? -7.29726  -2.49500  9.44337  1.000 10.61241 ? 58  THR B CA   1 
ATOM   1856 C  C    . THR B 1 38 ? -5.86719  -3.01747  9.43621  1.000 10.33595 ? 58  THR B C    1 
ATOM   1857 O  O    . THR B 1 38 ? -5.42458  -3.60038  8.44316  1.000 10.80705 ? 58  THR B O    1 
ATOM   1858 C  CB   . THR B 1 38 ? -7.35599  -0.98903  9.15630  1.000 12.70976 ? 58  THR B CB   1 
ATOM   1859 O  OG1  . THR B 1 38 ? -8.71318  -0.61742  8.89838  1.000 14.95898 ? 58  THR B OG1  1 
ATOM   1860 C  CG2  . THR B 1 38 ? -6.49807  -0.61962  7.95989  1.000 13.67270 ? 58  THR B CG2  1 
ATOM   1861 H  H    . THR B 1 38 ? -8.16942  -2.08296  11.16732 1.000 11.91858 ? 58  THR B H    1 
ATOM   1862 H  HA   . THR B 1 38 ? -7.76887  -2.94469  8.72486  1.000 12.74528 ? 58  THR B HA   1 
ATOM   1863 H  HB   . THR B 1 38 ? -7.01534  -0.50256  9.92325  1.000 15.26210 ? 58  THR B HB   1 
ATOM   1864 H  HG1  . THR B 1 38 ? -8.76318  0.20949   8.75939  1.000 17.96117 ? 58  THR B HG1  1 
ATOM   1865 H  HG21 . THR B 1 38 ? -6.79497  0.22516   7.58694  1.000 16.41763 ? 58  THR B HG21 1 
ATOM   1866 H  HG22 . THR B 1 38 ? -5.57029  -0.53568  8.23021  1.000 16.41763 ? 58  THR B HG22 1 
ATOM   1867 H  HG23 . THR B 1 38 ? -6.56641  -1.30613  7.27802  1.000 16.41763 ? 58  THR B HG23 1 
ATOM   1868 N  N    . LYS B 1 39 ? -5.13677  -2.80964  10.53319 1.000 10.77488 ? 59  LYS B N    1 
ATOM   1869 C  CA   A LYS B 1 39 ? -3.76882  -3.30882  10.63642 0.670 11.75365 ? 59  LYS B CA   1 
ATOM   1870 C  CA   B LYS B 1 39 ? -3.77269  -3.30987  10.63037 0.330 10.78764 ? 59  LYS B CA   1 
ATOM   1871 C  C    . LYS B 1 39 ? -3.72939  -4.81869  10.41641 1.000 10.53462 ? 59  LYS B C    1 
ATOM   1872 O  O    . LYS B 1 39 ? -2.89225  -5.32850  9.66253  1.000 10.90364 ? 59  LYS B O    1 
ATOM   1873 C  CB   A LYS B 1 39 ? -3.22326  -2.97243  12.02808 0.670 14.42294 ? 59  LYS B CB   1 
ATOM   1874 C  CB   B LYS B 1 39 ? -3.24055  -2.96599  12.01243 0.330 11.31149 ? 59  LYS B CB   1 
ATOM   1875 C  CG   A LYS B 1 39 ? -1.80623  -3.48402  12.35944 0.670 17.12460 ? 59  LYS B CG   1 
ATOM   1876 C  CG   B LYS B 1 39 ? -1.82085  -3.39708  12.28994 0.330 12.17046 ? 59  LYS B CG   1 
ATOM   1877 C  CD   A LYS B 1 39 ? -1.50241  -3.29974  13.83670 0.670 19.54066 ? 59  LYS B CD   1 
ATOM   1878 C  CD   B LYS B 1 39 ? -1.47613  -2.98934  13.69931 0.330 13.64116 ? 59  LYS B CD   1 
ATOM   1879 C  CE   A LYS B 1 39 ? -0.16931  -3.92137  14.23168 0.670 21.12688 ? 59  LYS B CE   1 
ATOM   1880 C  CE   B LYS B 1 39 ? -0.02390  -3.23993  14.04441 0.330 14.89549 ? 59  LYS B CE   1 
ATOM   1881 N  NZ   A LYS B 1 39 ? 0.97531   -3.22889  13.57657 0.670 21.89395 ? 59  LYS B NZ   1 
ATOM   1882 N  NZ   B LYS B 1 39 ? 0.38443   -2.39886  15.19612 0.330 15.29826 ? 59  LYS B NZ   1 
ATOM   1883 H  H    . LYS B 1 39 ? -5.40696  -2.38443  11.23018 1.000 12.94024 ? 59  LYS B H    1 
ATOM   1884 H  HA   . LYS B 1 39 ? -3.21543  -2.88357  9.96275  1.000 12.95555 ? 59  LYS B HA   1 
ATOM   1885 H  HB2  A LYS B 1 39 ? -3.20418  -2.00677  12.11780 0.670 17.31792 ? 59  LYS B HB2  1 
ATOM   1886 H  HB2  B LYS B 1 39 ? -3.27599  -2.00281  12.12162 0.330 13.58418 ? 59  LYS B HB2  1 
ATOM   1887 H  HB3  A LYS B 1 39 ? -3.82395  -3.35500  12.68665 0.670 17.31792 ? 59  LYS B HB3  1 
ATOM   1888 H  HB3  B LYS B 1 39 ? -3.80665  -3.39576  12.67253 0.330 13.58418 ? 59  LYS B HB3  1 
ATOM   1889 H  HG2  A LYS B 1 39 ? -1.74420  -4.42847  12.14719 0.670 20.55991 ? 59  LYS B HG2  1 
ATOM   1890 H  HG2  B LYS B 1 39 ? -1.74183  -4.36037  12.20792 0.330 14.61494 ? 59  LYS B HG2  1 
ATOM   1891 H  HG3  A LYS B 1 39 ? -1.15242  -2.98482  11.84540 0.670 20.55991 ? 59  LYS B HG3  1 
ATOM   1892 H  HG3  B LYS B 1 39 ? -1.21232  -2.96060  11.67344 0.330 14.61494 ? 59  LYS B HG3  1 
ATOM   1893 H  HD2  A LYS B 1 39 ? -1.46507  -2.35170  14.03853 0.670 23.45917 ? 59  LYS B HD2  1 
ATOM   1894 H  HD2  B LYS B 1 39 ? -1.64959  -2.04091  13.80553 0.330 16.37978 ? 59  LYS B HD2  1 
ATOM   1895 H  HD3  A LYS B 1 39 ? -2.20014  -3.72328  14.36080 0.670 23.45917 ? 59  LYS B HD3  1 
ATOM   1896 H  HD3  B LYS B 1 39 ? -2.02289  -3.49797  14.31838 0.330 16.37978 ? 59  LYS B HD3  1 
ATOM   1897 H  HE2  A LYS B 1 39 ? -0.05631  -3.85387  15.19270 0.670 25.36265 ? 59  LYS B HE2  1 
ATOM   1898 H  HE2  B LYS B 1 39 ? 0.09793   -4.17226  14.28279 0.330 17.88498 ? 59  LYS B HE2  1 
ATOM   1899 H  HE3  A LYS B 1 39 ? -0.15709  -4.85270  13.96080 0.670 25.36265 ? 59  LYS B HE3  1 
ATOM   1900 H  HE3  B LYS B 1 39 ? 0.53483   -3.01626  13.28369 0.330 17.88498 ? 59  LYS B HE3  1 
ATOM   1901 H  HZ1  A LYS B 1 39 ? 0.98993   -2.37181  13.81594 0.670 26.28313 ? 59  LYS B HZ1  1 
ATOM   1902 H  HZ1  B LYS B 1 39 ? 0.07686   -2.75018  15.95380 0.330 18.36830 ? 59  LYS B HZ1  1 
ATOM   1903 H  HZ2  A LYS B 1 39 ? 1.74167   -3.61003  13.82056 0.670 26.28313 ? 59  LYS B HZ2  1 
ATOM   1904 H  HZ2  B LYS B 1 39 ? 1.27214   -2.35173  15.23905 0.330 18.36830 ? 59  LYS B HZ2  1 
ATOM   1905 H  HZ3  A LYS B 1 39 ? 0.89606   -3.28031  12.69160 0.670 26.28313 ? 59  LYS B HZ3  1 
ATOM   1906 H  HZ3  B LYS B 1 39 ? 0.05564   -1.57691  15.10451 0.330 18.36830 ? 59  LYS B HZ3  1 
ATOM   1907 N  N    . LEU B 1 40 ? -4.62452  -5.54660  11.08316 1.000 9.39314  ? 60  LEU B N    1 
ATOM   1908 C  CA   . LEU B 1 40 ? -4.64984  -6.99965  10.93866 1.000 8.62925  ? 60  LEU B CA   1 
ATOM   1909 C  C    . LEU B 1 40 ? -5.03058  -7.41288  9.52603  1.000 8.39138  ? 60  LEU B C    1 
ATOM   1910 O  O    . LEU B 1 40 ? -4.43421  -8.33594  8.96777  1.000 8.70243  ? 60  LEU B O    1 
ATOM   1911 C  CB   . LEU B 1 40 ? -5.61926  -7.61065  11.95455 1.000 8.42901  ? 60  LEU B CB   1 
ATOM   1912 C  CG   . LEU B 1 40 ? -5.23554  -7.48553  13.42615 1.000 9.55282  ? 60  LEU B CG   1 
ATOM   1913 C  CD1  . LEU B 1 40 ? -6.37145  -7.98656  14.30887 1.000 9.92987  ? 60  LEU B CD1  1 
ATOM   1914 C  CD2  . LEU B 1 40 ? -3.94981  -8.24100  13.73600 1.000 11.12599 ? 60  LEU B CD2  1 
ATOM   1915 H  H    . LEU B 1 40 ? -5.21892  -5.22879  11.61728 1.000 11.28216 ? 60  LEU B H    1 
ATOM   1916 H  HA   . LEU B 1 40 ? -3.76164  -7.34406  11.12132 1.000 10.36549 ? 60  LEU B HA   1 
ATOM   1917 H  HB2  . LEU B 1 40 ? -6.47981  -7.17618  11.84691 1.000 10.12520 ? 60  LEU B HB2  1 
ATOM   1918 H  HB3  . LEU B 1 40 ? -5.69923  -8.55774  11.76084 1.000 10.12520 ? 60  LEU B HB3  1 
ATOM   1919 H  HG   . LEU B 1 40 ? -5.07514  -6.54944  13.62342 1.000 11.47377 ? 60  LEU B HG   1 
ATOM   1920 H  HD11 . LEU B 1 40 ? -6.11225  -7.89540  15.23914 1.000 11.92623 ? 60  LEU B HD11 1 
ATOM   1921 H  HD12 . LEU B 1 40 ? -7.16501  -7.45713  14.13320 1.000 11.92623 ? 60  LEU B HD12 1 
ATOM   1922 H  HD13 . LEU B 1 40 ? -6.54355  -8.91877  14.10327 1.000 11.92623 ? 60  LEU B HD13 1 
ATOM   1923 H  HD21 . LEU B 1 40 ? -3.85418  -8.32038  14.69801 1.000 13.36157 ? 60  LEU B HD21 1 
ATOM   1924 H  HD22 . LEU B 1 40 ? -3.99700  -9.12271  13.33442 1.000 13.36157 ? 60  LEU B HD22 1 
ATOM   1925 H  HD23 . LEU B 1 40 ? -3.19849  -7.74985  13.36831 1.000 13.36157 ? 60  LEU B HD23 1 
ATOM   1926 N  N    . MET B 1 41 ? -6.04024  -6.75680  8.94624  1.000 8.45157  ? 61  MET B N    1 
ATOM   1927 C  CA   . MET B 1 41 ? -6.43169  -7.03755  7.57565  1.000 8.94576  ? 61  MET B CA   1 
ATOM   1928 C  C    . MET B 1 41 ? -5.23481  -6.87227  6.64555  1.000 9.20600  ? 61  MET B C    1 
ATOM   1929 O  O    . MET B 1 41 ? -5.01902  -7.69877  5.74516  1.000 9.39595  ? 61  MET B O    1 
ATOM   1930 C  CB   . MET B 1 41 ? -7.62018  -6.13739  7.21784  1.000 9.36506  ? 61  MET B CB   1 
ATOM   1931 C  CG   . MET B 1 41 ? -8.08117  -6.22417  5.77804  1.000 10.45565 ? 61  MET B CG   1 
ATOM   1932 S  SD   . MET B 1 41 ? -7.09043  -5.32316  4.57942  1.000 11.87493 ? 61  MET B SD   1 
ATOM   1933 C  CE   . MET B 1 41 ? -7.50435  -3.63322  5.03595  1.000 13.79371 ? 61  MET B CE   1 
ATOM   1934 H  H    . MET B 1 41 ? -6.51032  -6.14664  9.32877  1.000 10.15228 ? 61  MET B H    1 
ATOM   1935 H  HA   . MET B 1 41 ? -6.73996  -7.95177  7.47533  1.000 10.74529 ? 61  MET B HA   1 
ATOM   1936 H  HB2  . MET B 1 41 ? -8.37187  -6.38469  7.77883  1.000 11.24845 ? 61  MET B HB2  1 
ATOM   1937 H  HB3  . MET B 1 41 ? -7.36880  -5.21597  7.38723  1.000 11.24845 ? 61  MET B HB3  1 
ATOM   1938 H  HG2  . MET B 1 41 ? -8.07349  -7.15705  5.51239  1.000 12.55717 ? 61  MET B HG2  1 
ATOM   1939 H  HG3  . MET B 1 41 ? -8.98346  -5.87191  5.72628  1.000 12.55717 ? 61  MET B HG3  1 
ATOM   1940 H  HE1  . MET B 1 41 ? -7.07324  -3.02408  4.41628  1.000 16.56284 ? 61  MET B HE1  1 
ATOM   1941 H  HE2  . MET B 1 41 ? -8.46697  -3.52148  4.99386  1.000 16.56284 ? 61  MET B HE2  1 
ATOM   1942 H  HE3  . MET B 1 41 ? -7.19085  -3.46402  5.93817  1.000 16.56284 ? 61  MET B HE3  1 
ATOM   1943 N  N    . LEU B 1 42 ? -4.48374  -5.78944  6.81735  1.000 9.66784  ? 62  LEU B N    1 
ATOM   1944 C  CA   . LEU B 1 42 ? -3.36359  -5.54128  5.92654  1.000 10.97042 ? 62  LEU B CA   1 
ATOM   1945 C  C    . LEU B 1 42 ? -2.27768  -6.58685  6.10530  1.000 10.87998 ? 62  LEU B C    1 
ATOM   1946 O  O    . LEU B 1 42 ? -1.62961  -6.97250  5.12893  1.000 11.61585 ? 62  LEU B O    1 
ATOM   1947 C  CB   . LEU B 1 42 ? -2.80878  -4.13065  6.13802  1.000 13.13782 ? 62  LEU B CB   1 
ATOM   1948 C  CG   . LEU B 1 42 ? -3.65201  -2.98203  5.59291  1.000 15.46666 ? 62  LEU B CG   1 
ATOM   1949 C  CD1  . LEU B 1 42 ? -3.12025  -1.64240  6.09595  1.000 16.77657 ? 62  LEU B CD1  1 
ATOM   1950 C  CD2  . LEU B 1 42 ? -3.68732  -3.00466  4.07730  1.000 16.63240 ? 62  LEU B CD2  1 
ATOM   1951 H  H    . LEU B 1 42 ? -4.60050  -5.19666  7.42938  1.000 11.61180 ? 62  LEU B H    1 
ATOM   1952 H  HA   . LEU B 1 42 ? -3.67943  -5.59221  5.01081  1.000 13.17489 ? 62  LEU B HA   1 
ATOM   1953 H  HB2  . LEU B 1 42 ? -2.71122  -3.98556  7.09214  1.000 15.77577 ? 62  LEU B HB2  1 
ATOM   1954 H  HB3  . LEU B 1 42 ? -1.94256  -4.07984  5.70444  1.000 15.77577 ? 62  LEU B HB3  1 
ATOM   1955 H  HG   . LEU B 1 42 ? -4.56217  -3.08717  5.91143  1.000 18.57037 ? 62  LEU B HG   1 
ATOM   1956 H  HD11 . LEU B 1 42 ? -3.70986  -0.93450  5.79240  1.000 20.14227 ? 62  LEU B HD11 1 
ATOM   1957 H  HD12 . LEU B 1 42 ? -3.09314  -1.65734  7.06546  1.000 20.14227 ? 62  LEU B HD12 1 
ATOM   1958 H  HD13 . LEU B 1 42 ? -2.22773  -1.50396  5.74219  1.000 20.14227 ? 62  LEU B HD13 1 
ATOM   1959 H  HD21 . LEU B 1 42 ? -4.03255  -2.15674  3.75675  1.000 19.96927 ? 62  LEU B HD21 1 
ATOM   1960 H  HD22 . LEU B 1 42 ? -2.78756  -3.14330  3.74248  1.000 19.96927 ? 62  LEU B HD22 1 
ATOM   1961 H  HD23 . LEU B 1 42 ? -4.26393  -3.72809  3.78561  1.000 19.96927 ? 62  LEU B HD23 1 
ATOM   1962 N  N    . GLN B 1 43 ? -2.06661  -7.05234  7.33444  1.000 10.48377 ? 63  GLN B N    1 
ATOM   1963 C  CA   A GLN B 1 43 ? -1.09204  -8.10903  7.55832  0.633 10.82251 ? 63  GLN B CA   1 
ATOM   1964 C  CA   B GLN B 1 43 ? -1.09677  -8.11690  7.57131  0.367 11.27023 ? 63  GLN B CA   1 
ATOM   1965 C  C    . GLN B 1 43 ? -1.49849  -9.39566  6.85104  1.000 10.60980 ? 63  GLN B C    1 
ATOM   1966 O  O    . GLN B 1 43 ? -0.65578  -10.06542 6.25062  1.000 11.49376 ? 63  GLN B O    1 
ATOM   1967 C  CB   A GLN B 1 43 ? -0.90232  -8.34123  9.05019  0.633 12.12624 ? 63  GLN B CB   1 
ATOM   1968 C  CB   B GLN B 1 43 ? -0.99712  -8.40868  9.07067  0.367 12.95889 ? 63  GLN B CB   1 
ATOM   1969 C  CG   A GLN B 1 43 ? 0.25916   -9.26373  9.34044  0.633 14.04606 ? 63  GLN B CG   1 
ATOM   1970 C  CG   B GLN B 1 43 ? -0.25696  -7.38925  9.91513  0.367 14.68658 ? 63  GLN B CG   1 
ATOM   1971 C  CD   A GLN B 1 43 ? 0.62195   -9.28211  10.78467 0.633 16.49384 ? 63  GLN B CD   1 
ATOM   1972 C  CD   B GLN B 1 43 ? -0.32139  -7.70254  11.41283 0.367 16.23475 ? 63  GLN B CD   1 
ATOM   1973 O  OE1  A GLN B 1 43 ? -0.24986  -9.17540  11.64054 0.633 16.88241 ? 63  GLN B OE1  1 
ATOM   1974 O  OE1  B GLN B 1 43 ? -0.64405  -6.82989  12.22988 0.367 17.05394 ? 63  GLN B OE1  1 
ATOM   1975 N  NE2  A GLN B 1 43 ? 1.91299   -9.41723  11.07757 0.633 18.03752 ? 63  GLN B NE2  1 
ATOM   1976 N  NE2  B GLN B 1 43 ? -0.00828  -8.94544  11.77892 0.367 17.01796 ? 63  GLN B NE2  1 
ATOM   1977 H  H    . GLN B 1 43 ? -2.46695  -6.77909  8.04483  1.000 12.59091 ? 63  GLN B H    1 
ATOM   1978 H  HA   . GLN B 1 43 ? -0.23771  -7.82962  7.19369  1.000 13.53466 ? 63  GLN B HA   1 
ATOM   1979 H  HB2  A GLN B 1 43 ? -0.73008  -7.49136  9.48487  0.633 14.56187 ? 63  GLN B HB2  1 
ATOM   1980 H  HB2  B GLN B 1 43 ? -1.89790  -8.47024  9.42523  0.367 15.56106 ? 63  GLN B HB2  1 
ATOM   1981 H  HB3  A GLN B 1 43 ? -1.70661  -8.74308  9.41423  0.633 14.56187 ? 63  GLN B HB3  1 
ATOM   1982 H  HB3  B GLN B 1 43 ? -0.53817  -9.25596  9.18195  0.367 15.56106 ? 63  GLN B HB3  1 
ATOM   1983 H  HG2  A GLN B 1 43 ? 0.02078   -10.16661 9.07796  0.633 16.86565 ? 63  GLN B HG2  1 
ATOM   1984 H  HG2  B GLN B 1 43 ? 0.67630   -7.37760  9.65092  0.367 17.63428 ? 63  GLN B HG2  1 
ATOM   1985 H  HG3  A GLN B 1 43 ? 1.03411   -8.96605  8.83870  0.633 16.86565 ? 63  GLN B HG3  1 
ATOM   1986 H  HG3  B GLN B 1 43 ? -0.65259  -6.51488  9.77421  0.367 17.63428 ? 63  GLN B HG3  1 
ATOM   1987 H  HE21 A GLN B 1 43 ? 2.49205   -9.48880  10.44578 0.633 21.65542 ? 63  GLN B HE21 1 
ATOM   1988 H  HE21 B GLN B 1 43 ? 0.21582   -9.52521  11.18459 0.367 20.43194 ? 63  GLN B HE21 1 
ATOM   1989 H  HE22 A GLN B 1 43 ? 2.16828   -9.43297  11.89865 0.633 21.65542 ? 63  GLN B HE22 1 
ATOM   1990 H  HE22 B GLN B 1 43 ? -0.03037  -9.16754  12.60946 0.367 20.43194 ? 63  GLN B HE22 1 
ATOM   1991 N  N    . VAL B 1 44 ? -2.78059  -9.75829  6.91810  1.000 9.80156  ? 64  VAL B N    1 
ATOM   1992 C  CA   . VAL B 1 44 ? -3.25860  -10.92764 6.18521  1.000 9.63749  ? 64  VAL B CA   1 
ATOM   1993 C  C    . VAL B 1 44 ? -2.97235  -10.76255 4.69659  1.000 10.50810 ? 64  VAL B C    1 
ATOM   1994 O  O    . VAL B 1 44 ? -2.43936  -11.66422 4.04571  1.000 10.91090 ? 64  VAL B O    1 
ATOM   1995 C  CB   . VAL B 1 44 ? -4.75857  -11.14354 6.42750  1.000 9.81795  ? 64  VAL B CB   1 
ATOM   1996 C  CG1  . VAL B 1 44 ? -5.26249  -12.26139 5.51447  1.000 11.04401 ? 64  VAL B CG1  1 
ATOM   1997 C  CG2  . VAL B 1 44 ? -5.06455  -11.47798 7.87614  1.000 9.62367  ? 64  VAL B CG2  1 
ATOM   1998 H  H    . VAL B 1 44 ? -3.38440  -9.34972  7.37426  1.000 11.77226 ? 64  VAL B H    1 
ATOM   1999 H  HA   . VAL B 1 44 ? -2.78235  -11.70699 6.51187  1.000 11.57537 ? 64  VAL B HA   1 
ATOM   2000 H  HB   . VAL B 1 44 ? -5.22153  -10.31559 6.22488  1.000 11.79192 ? 64  VAL B HB   1 
ATOM   2001 H  HG11 . VAL B 1 44 ? -6.07370  -12.63596 5.89201  1.000 13.26320 ? 64  VAL B HG11 1 
ATOM   2002 H  HG12 . VAL B 1 44 ? -5.44584  -11.89313 4.63602  1.000 13.26320 ? 64  VAL B HG12 1 
ATOM   2003 H  HG13 . VAL B 1 44 ? -4.58022  -12.94782 5.44955  1.000 13.26320 ? 64  VAL B HG13 1 
ATOM   2004 H  HG21 . VAL B 1 44 ? -6.02645  -11.49393 8.00019  1.000 11.55880 ? 64  VAL B HG21 1 
ATOM   2005 H  HG22 . VAL B 1 44 ? -4.68957  -12.34773 8.08546  1.000 11.55880 ? 64  VAL B HG22 1 
ATOM   2006 H  HG23 . VAL B 1 44 ? -4.66861  -10.80100 8.44696  1.000 11.55880 ? 64  VAL B HG23 1 
ATOM   2007 N  N    . HIS B 1 45 ? -3.28446  -9.59335  4.15446  1.000 11.23538 ? 65  HIS B N    1 
ATOM   2008 C  CA   . HIS B 1 45 ? -3.13203  -9.34692  2.72852  1.000 14.05981 ? 65  HIS B CA   1 
ATOM   2009 C  C    . HIS B 1 45 ? -1.66721  -9.34626  2.31956  1.000 15.04792 ? 65  HIS B C    1 
ATOM   2010 O  O    . HIS B 1 45 ? -1.30955  -9.91816  1.28024  1.000 16.06277 ? 65  HIS B O    1 
ATOM   2011 C  CB   . HIS B 1 45 ? -3.79500  -8.01153  2.38001  1.000 17.63258 ? 65  HIS B CB   1 
ATOM   2012 C  CG   . HIS B 1 45 ? -3.62640  -7.59988  0.94886  1.000 22.80546 ? 65  HIS B CG   1 
ATOM   2013 N  ND1  . HIS B 1 45 ? -4.24005  -8.25592  -0.09839 1.000 25.03606 ? 65  HIS B ND1  1 
ATOM   2014 C  CD2  . HIS B 1 45 ? -2.91531  -6.59284  0.38951  1.000 24.76196 ? 65  HIS B CD2  1 
ATOM   2015 C  CE1  . HIS B 1 45 ? -3.91508  -7.67284  -1.23823 1.000 25.98799 ? 65  HIS B CE1  1 
ATOM   2016 N  NE2  . HIS B 1 45 ? -3.11010  -6.66102  -0.97111 1.000 25.90142 ? 65  HIS B NE2  1 
ATOM   2017 H  H    . HIS B 1 45 ? -3.58933  -8.91948  4.59328  1.000 13.49284 ? 65  HIS B H    1 
ATOM   2018 H  HA   . HIS B 1 45 ? -3.57273  -10.05197 2.22893  1.000 16.88216 ? 65  HIS B HA   1 
ATOM   2019 H  HB2  . HIS B 1 45 ? -4.74626  -8.08170  2.55628  1.000 21.16948 ? 65  HIS B HB2  1 
ATOM   2020 H  HB3  . HIS B 1 45 ? -3.40523  -7.31732  2.93412  1.000 21.16948 ? 65  HIS B HB3  1 
ATOM   2021 H  HD1  . HIS B 1 45 ? -4.75543  -8.94000  -0.02087 1.000 30.05366 ? 65  HIS B HD1  1 
ATOM   2022 H  HD2  . HIS B 1 45 ? -2.39221  -5.97041  0.84098  1.000 29.72474 ? 65  HIS B HD2  1 
ATOM   2023 H  HE1  . HIS B 1 45 ? -4.20378  -7.93079  -2.08381 1.000 31.19597 ? 65  HIS B HE1  1 
ATOM   2024 N  N    . ASN B 1 46 ? -0.80269  -8.70651  3.11164  1.000 14.82563 ? 66  ASN B N    1 
ATOM   2025 C  CA   . ASN B 1 46 ? 0.58412   -8.48625  2.71780  1.000 16.27457 ? 66  ASN B CA   1 
ATOM   2026 C  C    . ASN B 1 46 ? 1.49124   -9.65294  3.06120  1.000 16.69794 ? 66  ASN B C    1 
ATOM   2027 O  O    . ASN B 1 46 ? 2.39513   -9.96746  2.28294  1.000 18.56461 ? 66  ASN B O    1 
ATOM   2028 C  CB   . ASN B 1 46 ? 1.11121   -7.20842  3.37225  1.000 18.07473 ? 66  ASN B CB   1 
ATOM   2029 C  CG   . ASN B 1 46 ? 0.52992   -5.96275  2.74720  1.000 20.22930 ? 66  ASN B CG   1 
ATOM   2030 O  OD1  . ASN B 1 46 ? 0.37984   -5.88637  1.52895  1.000 22.19925 ? 66  ASN B OD1  1 
ATOM   2031 N  ND2  . ASN B 1 46 ? 0.20098   -4.97911  3.57104  1.000 20.83109 ? 66  ASN B ND2  1 
ATOM   2032 H  H    . ASN B 1 46 ? -0.99942  -8.38958  3.88653  1.000 17.80114 ? 66  ASN B H    1 
ATOM   2033 H  HA   . ASN B 1 46 ? 0.61457   -8.37203  1.75503  1.000 19.53987 ? 66  ASN B HA   1 
ATOM   2034 H  HB2  . ASN B 1 46 ? 0.87512   -7.21246  4.31307  1.000 21.70006 ? 66  ASN B HB2  1 
ATOM   2035 H  HB3  . ASN B 1 46 ? 2.07545   -7.17455  3.27232  1.000 21.70006 ? 66  ASN B HB3  1 
ATOM   2036 H  HD21 . ASN B 1 46 ? -0.13359  -4.25080  3.25923  1.000 25.00769 ? 66  ASN B HD21 1 
ATOM   2037 H  HD22 . ASN B 1 46 ? 0.32197   -5.06877  4.41775  1.000 25.00769 ? 66  ASN B HD22 1 
ATOM   2038 N  N    . GLU B 1 47 ? 1.26661   -10.29536 4.20347  1.000 16.31211 ? 67  GLU B N    1 
ATOM   2039 C  CA   . GLU B 1 47 ? 2.11209   -11.38111 4.68085  1.000 16.98456 ? 67  GLU B CA   1 
ATOM   2040 C  C    . GLU B 1 47 ? 1.50588   -12.75813 4.45274  1.000 14.70226 ? 67  GLU B C    1 
ATOM   2041 O  O    . GLU B 1 47 ? 2.21886   -13.75452 4.59099  1.000 16.14895 ? 67  GLU B O    1 
ATOM   2042 C  CB   . GLU B 1 47 ? 2.44223   -11.17771 6.16556  1.000 20.93856 ? 67  GLU B CB   1 
ATOM   2043 C  CG   . GLU B 1 47 ? 3.18827   -9.86148  6.43315  1.000 25.49428 ? 67  GLU B CG   1 
ATOM   2044 C  CD   . GLU B 1 47 ? 3.55071   -9.64815  7.89118  1.000 29.29176 ? 67  GLU B CD   1 
ATOM   2045 O  OE1  . GLU B 1 47 ? 3.50180   -10.62016 8.67482  1.000 30.57881 ? 67  GLU B OE1  1 
ATOM   2046 O  OE2  . GLU B 1 47 ? 3.86046   -8.48984  8.25593  1.000 30.98596 ? 67  GLU B OE2  1 
ATOM   2047 H  H    . GLU B 1 47 ? 0.61314   -10.11499 4.73266  1.000 19.58492 ? 67  GLU B H    1 
ATOM   2048 H  HA   . GLU B 1 47 ? 2.95318   -11.36300 4.19799  1.000 20.39186 ? 67  GLU B HA   1 
ATOM   2049 H  HB2  . GLU B 1 47 ? 1.61605   -11.16345 6.67363  1.000 25.13666 ? 67  GLU B HB2  1 
ATOM   2050 H  HB3  . GLU B 1 47 ? 3.00448   -11.90841 6.46696  1.000 25.13666 ? 67  GLU B HB3  1 
ATOM   2051 H  HG2  . GLU B 1 47 ? 4.01186   -9.85988  5.92071  1.000 30.60352 ? 67  GLU B HG2  1 
ATOM   2052 H  HG3  . GLU B 1 47 ? 2.62461   -9.12174  6.15755  1.000 30.60352 ? 67  GLU B HG3  1 
ATOM   2053 N  N    . GLY B 1 48 ? 0.21656   -12.83625 4.12005  1.000 12.58097 ? 68  GLY B N    1 
ATOM   2054 C  CA   . GLY B 1 48 ? -0.45969  -14.07623 3.84484  1.000 11.69544 ? 68  GLY B CA   1 
ATOM   2055 C  C    . GLY B 1 48 ? -1.25496  -14.62691 5.00685  1.000 10.33215 ? 68  GLY B C    1 
ATOM   2056 O  O    . GLY B 1 48 ? -2.08477  -15.52009 4.79689  1.000 10.08175 ? 68  GLY B O    1 
ATOM   2057 H  H    . GLY B 1 48 ? -0.29685  -12.15011 4.04781  1.000 15.10755 ? 68  GLY B H    1 
ATOM   2058 H  HA2  . GLY B 1 48 ? -1.07078  -13.94089 3.10379  1.000 14.04491 ? 68  GLY B HA2  1 
ATOM   2059 H  HA3  . GLY B 1 48 ? 0.19921   -14.74214 3.59324  1.000 14.04491 ? 68  GLY B HA3  1 
ATOM   2060 N  N    . LYS B 1 49 ? -0.99595  -14.14501 6.21762  1.000 10.61317 ? 69  LYS B N    1 
ATOM   2061 C  CA   . LYS B 1 49 ? -1.68768  -14.60040 7.40639  1.000 10.41766 ? 69  LYS B CA   1 
ATOM   2062 C  C    . LYS B 1 49 ? -1.44963  -13.56751 8.49898  1.000 10.45091 ? 69  LYS B C    1 
ATOM   2063 O  O    . LYS B 1 49 ? -0.51893  -12.75829 8.42257  1.000 11.87995 ? 69  LYS B O    1 
ATOM   2064 C  CB   . LYS B 1 49 ? -1.19507  -15.98401 7.85400  1.000 13.55377 ? 69  LYS B CB   1 
ATOM   2065 C  CG   . LYS B 1 49 ? 0.23287   -15.96919 8.43262  1.000 18.59169 ? 69  LYS B CG   1 
ATOM   2066 C  CD   . LYS B 1 49 ? 0.75102   -17.33955 8.70367  1.000 23.59262 ? 69  LYS B CD   1 
ATOM   2067 C  CE   . LYS B 1 49 ? 2.17490   -17.34115 9.16905  1.000 27.49085 ? 69  LYS B CE   1 
ATOM   2068 N  NZ   . LYS B 1 49 ? 3.05491   -17.11604 7.99207  1.000 29.59381 ? 69  LYS B NZ   1 
ATOM   2069 H  H    . LYS B 1 49 ? -0.40785  -13.53793 6.37633  1.000 12.74619 ? 69  LYS B H    1 
ATOM   2070 H  HA   . LYS B 1 49 ? -2.63832  -14.66387 7.22430  1.000 12.51158 ? 69  LYS B HA   1 
ATOM   2071 H  HB2  . LYS B 1 49 ? -1.79092  -16.32109 8.54119  1.000 16.27491 ? 69  LYS B HB2  1 
ATOM   2072 H  HB3  . LYS B 1 49 ? -1.19980  -16.58042 7.08904  1.000 16.27491 ? 69  LYS B HB3  1 
ATOM   2073 H  HG2  . LYS B 1 49 ? 0.82873   -15.54247 7.79719  1.000 22.32041 ? 69  LYS B HG2  1 
ATOM   2074 H  HG3  . LYS B 1 49 ? 0.23184   -15.47713 9.26854  1.000 22.32041 ? 69  LYS B HG3  1 
ATOM   2075 H  HD2  . LYS B 1 49 ? 0.20971   -17.75120 9.39536  1.000 28.32154 ? 69  LYS B HD2  1 
ATOM   2076 H  HD3  . LYS B 1 49 ? 0.70207   -17.86308 7.88855  1.000 28.32154 ? 69  LYS B HD3  1 
ATOM   2077 H  HE2  . LYS B 1 49 ? 2.31558   -16.62850 9.81189  1.000 32.99941 ? 69  LYS B HE2  1 
ATOM   2078 H  HE3  . LYS B 1 49 ? 2.39297   -18.19719 9.56973  1.000 32.99941 ? 69  LYS B HE3  1 
ATOM   2079 H  HZ1  . LYS B 1 49 ? 3.90915   -17.15648 8.23853  1.000 35.52296 ? 69  LYS B HZ1  1 
ATOM   2080 H  HZ2  . LYS B 1 49 ? 2.90264   -17.73868 7.37463  1.000 35.52296 ? 69  LYS B HZ2  1 
ATOM   2081 H  HZ3  . LYS B 1 49 ? 2.89346   -16.31469 7.64012  1.000 35.52296 ? 69  LYS B HZ3  1 
ATOM   2082 N  N    . ALA B 1 50 ? -2.24295  -13.66548 9.56475  1.000 10.08573 ? 70  ALA B N    1 
ATOM   2083 C  CA   . ALA B 1 50 ? -2.02155  -12.85838 10.75588 1.000 10.21410 ? 70  ALA B CA   1 
ATOM   2084 C  C    . ALA B 1 50 ? -2.64683  -13.55322 11.95056 1.000 9.14737  ? 70  ALA B C    1 
ATOM   2085 O  O    . ALA B 1 50 ? -3.71757  -14.14091 11.84734 1.000 8.92695  ? 70  ALA B O    1 
ATOM   2086 C  CB   . ALA B 1 50 ? -2.64897  -11.46775 10.61861 1.000 10.98982 ? 70  ALA B CB   1 
ATOM   2087 H  H    . ALA B 1 50 ? -2.91827  -14.19508 9.62022  1.000 12.11327 ? 70  ALA B H    1 
ATOM   2088 H  HA   . ALA B 1 50 ? -1.06572  -12.77156 10.89648 1.000 12.26730 ? 70  ALA B HA   1 
ATOM   2089 H  HB1  . ALA B 1 50 ? -2.40724  -10.93449 11.39198 1.000 13.19817 ? 70  ALA B HB1  1 
ATOM   2090 H  HB2  . ALA B 1 50 ? -2.31443  -11.04876 9.81026  1.000 13.19817 ? 70  ALA B HB2  1 
ATOM   2091 H  HB3  . ALA B 1 50 ? -3.61329  -11.55991 10.56869 1.000 13.19817 ? 70  ALA B HB3  1 
ATOM   2092 N  N    . VAL B 1 51 ? -1.99747  -13.40563 13.10126 1.000 9.97605  ? 71  VAL B N    1 
ATOM   2093 C  CA   . VAL B 1 51 ? -2.61240  -13.73546 14.38480 1.000 9.47747  ? 71  VAL B CA   1 
ATOM   2094 C  C    . VAL B 1 51 ? -3.63608  -12.65189 14.69096 1.000 9.45977  ? 71  VAL B C    1 
ATOM   2095 O  O    . VAL B 1 51 ? -3.28135  -11.46997 14.76420 1.000 11.68200 ? 71  VAL B O    1 
ATOM   2096 C  CB   . VAL B 1 51 ? -1.56047  -13.79352 15.50435 1.000 11.32454 ? 71  VAL B CB   1 
ATOM   2097 C  CG1  . VAL B 1 51 ? -2.25673  -13.88681 16.87866 1.000 12.02163 ? 71  VAL B CG1  1 
ATOM   2098 C  CG2  . VAL B 1 51 ? -0.61597  -14.95560 15.29256 1.000 13.52696 ? 71  VAL B CG2  1 
ATOM   2099 H  H    . VAL B 1 51 ? -1.19141  -13.11337 13.16799 1.000 11.98165 ? 71  VAL B H    1 
ATOM   2100 H  HA   . VAL B 1 51 ? -3.04603  -14.60097 14.32346 1.000 11.38335 ? 71  VAL B HA   1 
ATOM   2101 H  HB   . VAL B 1 51 ? -1.03081  -12.98109 15.48673 1.000 13.59983 ? 71  VAL B HB   1 
ATOM   2102 H  HG11 . VAL B 1 51 ? -1.64564  -14.28899 17.51562 1.000 14.43635 ? 71  VAL B HG11 1 
ATOM   2103 H  HG12 . VAL B 1 51 ? -2.49918  -12.99428 17.17108 1.000 14.43635 ? 71  VAL B HG12 1 
ATOM   2104 H  HG13 . VAL B 1 51 ? -3.05276  -14.43443 16.79286 1.000 14.43635 ? 71  VAL B HG13 1 
ATOM   2105 H  HG21 . VAL B 1 51 ? 0.01693   -14.98606 16.02700 1.000 16.24274 ? 71  VAL B HG21 1 
ATOM   2106 H  HG22 . VAL B 1 51 ? -1.12900  -15.77832 15.26367 1.000 16.24274 ? 71  VAL B HG22 1 
ATOM   2107 H  HG23 . VAL B 1 51 ? -0.14418  -14.83038 14.45432 1.000 16.24274 ? 71  VAL B HG23 1 
ATOM   2108 N  N    . VAL B 1 52 ? -4.90282  -13.04121 14.83529 1.000 8.49394  ? 72  VAL B N    1 
ATOM   2109 C  CA   . VAL B 1 52 ? -5.99110  -12.08949 15.02245 1.000 9.24414  ? 72  VAL B CA   1 
ATOM   2110 C  C    . VAL B 1 52 ? -6.57859  -12.09003 16.41346 1.000 10.03427 ? 72  VAL B C    1 
ATOM   2111 O  O    . VAL B 1 52 ? -7.29746  -11.13758 16.74617 1.000 12.59015 ? 72  VAL B O    1 
ATOM   2112 C  CB   . VAL B 1 52 ? -7.11203  -12.24102 13.97895 1.000 9.27368  ? 72  VAL B CB   1 
ATOM   2113 C  CG1  . VAL B 1 52 ? -6.55506  -12.03460 12.57431 1.000 9.63754  ? 72  VAL B CG1  1 
ATOM   2114 C  CG2  . VAL B 1 52 ? -7.83849  -13.57805 14.10905 1.000 10.31918 ? 72  VAL B CG2  1 
ATOM   2115 H  H    . VAL B 1 52 ? -5.15863  -13.86225 14.82797 1.000 10.20311 ? 72  VAL B H    1 
ATOM   2116 H  HA   . VAL B 1 52 ? -5.59974  -11.21266 14.88494 1.000 11.10335 ? 72  VAL B HA   1 
ATOM   2117 H  HB   . VAL B 1 52 ? -7.77832  -11.55537 14.14277 1.000 11.13880 ? 72  VAL B HB   1 
ATOM   2118 H  HG11 . VAL B 1 52 ? -7.28712  -12.05446 11.93824 1.000 11.57543 ? 72  VAL B HG11 1 
ATOM   2119 H  HG12 . VAL B 1 52 ? -6.10643  -11.17545 12.53559 1.000 11.57543 ? 72  VAL B HG12 1 
ATOM   2120 H  HG13 . VAL B 1 52 ? -5.92563  -12.74565 12.37652 1.000 11.57543 ? 72  VAL B HG13 1 
ATOM   2121 H  HG21 . VAL B 1 52 ? -8.43079  -13.69089 13.34921 1.000 12.39340 ? 72  VAL B HG21 1 
ATOM   2122 H  HG22 . VAL B 1 52 ? -7.18325  -14.29306 14.12673 1.000 12.39340 ? 72  VAL B HG22 1 
ATOM   2123 H  HG23 . VAL B 1 52 ? -8.35210  -13.57964 14.93191 1.000 12.39340 ? 72  VAL B HG23 1 
ATOM   2124 N  N    . SER B 1 53 ? -6.33824  -13.11996 17.21466 1.000 9.57040  ? 73  SER B N    1 
ATOM   2125 C  CA   A SER B 1 53 ? -6.84421  -13.15585 18.57644 0.748 10.30067 ? 73  SER B CA   1 
ATOM   2126 C  CA   B SER B 1 53 ? -6.87118  -13.18531 18.56218 0.252 10.01653 ? 73  SER B CA   1 
ATOM   2127 C  C    . SER B 1 53 ? -6.00751  -14.15709 19.35070 1.000 9.45597  ? 73  SER B C    1 
ATOM   2128 O  O    . SER B 1 53 ? -5.27921  -14.97607 18.77047 1.000 9.15387  ? 73  SER B O    1 
ATOM   2129 C  CB   A SER B 1 53 ? -8.32523  -13.47447 18.64242 0.748 11.40712 ? 73  SER B CB   1 
ATOM   2130 C  CB   B SER B 1 53 ? -8.32876  -13.66635 18.50184 0.252 10.96377 ? 73  SER B CB   1 
ATOM   2131 O  OG   A SER B 1 53 ? -8.49752  -14.79522 18.27271 0.748 10.76806 ? 73  SER B OG   1 
ATOM   2132 O  OG   B SER B 1 53 ? -8.97370  -13.62495 19.75135 0.252 11.43626 ? 73  SER B OG   1 
ATOM   2133 H  H    . SER B 1 53 ? -5.88194  -13.81373 16.99088 1.000 11.49487 ? 73  SER B H    1 
ATOM   2134 H  HA   . SER B 1 53 ? -6.73952  -12.28451 18.98960 1.000 12.03023 ? 73  SER B HA   1 
ATOM   2135 H  HB2  A SER B 1 53 ? -8.64730  -13.34415 19.54806 0.748 13.69893 ? 73  SER B HB2  1 
ATOM   2136 H  HB2  B SER B 1 53 ? -8.81511  -13.09590 17.88624 0.252 13.16691 ? 73  SER B HB2  1 
ATOM   2137 H  HB3  A SER B 1 53 ? -8.81077  -12.89832 18.03151 0.748 13.69893 ? 73  SER B HB3  1 
ATOM   2138 H  HB3  B SER B 1 53 ? -8.33686  -14.58218 18.18233 0.252 13.16691 ? 73  SER B HB3  1 
ATOM   2139 H  HG   A SER B 1 53 ? -9.30005  -15.02037 18.37689 0.748 12.93206 ? 73  SER B HG   1 
ATOM   2140 H  HG   B SER B 1 53 ? -9.75709  -13.91961 19.68021 0.252 13.73390 ? 73  SER B HG   1 
ATOM   2141 N  N    . ALA B 1 54 ? -6.12334  -14.07976 20.66931 1.000 10.27841 ? 74  ALA B N    1 
ATOM   2142 C  CA   . ALA B 1 54 ? -5.34364  -14.89742 21.57356 1.000 11.00473 ? 74  ALA B CA   1 
ATOM   2143 C  C    . ALA B 1 54 ? -6.13378  -15.09037 22.85083 1.000 10.75525 ? 74  ALA B C    1 
ATOM   2144 O  O    . ALA B 1 54 ? -6.88511  -14.20193 23.27952 1.000 12.12101 ? 74  ALA B O    1 
ATOM   2145 C  CB   . ALA B 1 54 ? -3.98494  -14.27003 21.88176 1.000 13.68996 ? 74  ALA B CB   1 
ATOM   2146 H  H    . ALA B 1 54 ? -6.66300  -13.54506 21.07238 1.000 12.34447 ? 74  ALA B H    1 
ATOM   2147 H  HA   . ALA B 1 54 ? -5.18535  -15.76599 21.17178 1.000 13.21606 ? 74  ALA B HA   1 
ATOM   2148 H  HB1  . ALA B 1 54 ? -3.58373  -14.73779 22.63085 1.000 16.43833 ? 74  ALA B HB1  1 
ATOM   2149 H  HB2  . ALA B 1 54 ? -3.41624  -14.34843 21.09988 1.000 16.43833 ? 74  ALA B HB2  1 
ATOM   2150 H  HB3  . ALA B 1 54 ? -4.11240  -13.33487 22.10565 1.000 16.43833 ? 74  ALA B HB3  1 
ATOM   2151 N  N    . GLY B 1 55 ? -5.93663  -16.24352 23.46125 1.000 10.95230 ? 75  GLY B N    1 
ATOM   2152 C  CA   . GLY B 1 55 ? -6.59102  -16.53174 24.72145 1.000 11.28213 ? 75  GLY B CA   1 
ATOM   2153 C  C    . GLY B 1 55 ? -6.61206  -18.02666 24.94127 1.000 11.16979 ? 75  GLY B C    1 
ATOM   2154 O  O    . GLY B 1 55 ? -5.76163  -18.74477 24.44026 1.000 11.45067 ? 75  GLY B O    1 
ATOM   2155 H  H    . GLY B 1 55 ? -5.43047  -16.87382 23.16778 1.000 13.15315 ? 75  GLY B H    1 
ATOM   2156 H  HA2  . GLY B 1 55 ? -6.11113  -16.10934 25.45096 1.000 13.54895 ? 75  GLY B HA2  1 
ATOM   2157 H  HA3  . GLY B 1 55 ? -7.50206  -16.19899 24.70818 1.000 13.54895 ? 75  GLY B HA3  1 
ATOM   2158 N  N    . SER B 1 56 ? -7.59935  -18.49690 25.68367 1.000 11.27550 ? 76  SER B N    1 
ATOM   2159 C  CA   . SER B 1 56 ? -7.63899  -19.92607 25.95511 1.000 11.92227 ? 76  SER B CA   1 
ATOM   2160 C  C    . SER B 1 56 ? -7.95157  -20.71845 24.69326 1.000 10.90791 ? 76  SER B C    1 
ATOM   2161 O  O    . SER B 1 56 ? -8.51268  -20.19387 23.73714 1.000 10.47072 ? 76  SER B O    1 
ATOM   2162 C  CB   . SER B 1 56 ? -8.70738  -20.24121 26.98930 1.000 13.18911 ? 76  SER B CB   1 
ATOM   2163 O  OG   . SER B 1 56 ? -9.97911  -20.10477 26.41268 1.000 13.68002 ? 76  SER B OG   1 
ATOM   2164 H  H    . SER B 1 56 ? -8.23394  -18.03048 26.02915 1.000 13.54098 ? 76  SER B H    1 
ATOM   2165 H  HA   . SER B 1 56 ? -6.77032  -20.19692 26.29121 1.000 14.31711 ? 76  SER B HA   1 
ATOM   2166 H  HB2  . SER B 1 56 ? -8.59294  -21.15281 27.30042 1.000 15.83731 ? 76  SER B HB2  1 
ATOM   2167 H  HB3  . SER B 1 56 ? -8.62508  -19.62402 27.73308 1.000 15.83731 ? 76  SER B HB3  1 
ATOM   2168 H  HG   . SER B 1 56 ? -10.56707 -20.38170 26.94486 1.000 16.42642 ? 76  SER B HG   1 
ATOM   2169 N  N    . ARG B 1 57 ? -7.60296  -22.00713 24.71179 1.000 11.61744 ? 77  ARG B N    1 
ATOM   2170 C  CA   . ARG B 1 57 ? -7.97869  -22.90051 23.61492 1.000 11.83688 ? 77  ARG B CA   1 
ATOM   2171 C  C    . ARG B 1 57 ? -9.47429  -22.84537 23.32667 1.000 10.74758 ? 77  ARG B C    1 
ATOM   2172 O  O    . ARG B 1 57 ? -9.87669  -22.76118 22.16726 1.000 10.20239 ? 77  ARG B O    1 
ATOM   2173 C  CB   . ARG B 1 57 ? -7.59262  -24.34125 23.94696 1.000 13.94800 ? 77  ARG B CB   1 
ATOM   2174 C  CG   . ARG B 1 57 ? -7.87085  -25.31148 22.79979 1.000 16.40064 ? 77  ARG B CG   1 
ATOM   2175 C  CD   . ARG B 1 57 ? -7.66740  -26.70952 23.18523 1.000 19.37121 ? 77  ARG B CD   1 
ATOM   2176 N  NE   . ARG B 1 57 ? -8.14719  -27.54999 22.09551 1.000 22.77958 ? 77  ARG B NE   1 
ATOM   2177 C  CZ   . ARG B 1 57 ? -7.60683  -28.69544 21.69778 1.000 26.12542 ? 77  ARG B CZ   1 
ATOM   2178 N  NH1  . ARG B 1 57 ? -6.57938  -29.25004 22.32971 1.000 27.44575 ? 77  ARG B NH1  1 
ATOM   2179 N  NH2  . ARG B 1 57 ? -8.10581  -29.30195 20.62561 1.000 27.48477 ? 77  ARG B NH2  1 
ATOM   2180 H  H    . ARG B 1 57 ? -7.15399  -22.38518 25.34037 1.000 13.95132 ? 77  ARG B H    1 
ATOM   2181 H  HA   . ARG B 1 57 ? -7.49497  -22.61556 22.82390 1.000 14.21465 ? 77  ARG B HA   1 
ATOM   2182 H  HB2  . ARG B 1 57 ? -6.64364  -24.37545 24.14487 1.000 16.74799 ? 77  ARG B HB2  1 
ATOM   2183 H  HB3  . ARG B 1 57 ? -8.10308  -24.63447 24.71791 1.000 16.74799 ? 77  ARG B HB3  1 
ATOM   2184 H  HG2  . ARG B 1 57 ? -8.79229  -25.20954 22.51437 1.000 19.69116 ? 77  ARG B HG2  1 
ATOM   2185 H  HG3  . ARG B 1 57 ? -7.27153  -25.11254 22.06349 1.000 19.69116 ? 77  ARG B HG3  1 
ATOM   2186 H  HD2  . ARG B 1 57 ? -6.72416  -26.88246 23.33114 1.000 23.25584 ? 77  ARG B HD2  1 
ATOM   2187 H  HD3  . ARG B 1 57 ? -8.17004  -26.91125 23.98994 1.000 23.25584 ? 77  ARG B HD3  1 
ATOM   2188 H  HE   . ARG B 1 57 ? -8.84440  -27.27899 21.67118 1.000 27.34588 ? 77  ARG B HE   1 
ATOM   2189 H  HH11 . ARG B 1 57 ? -6.24191  -28.86614 23.02133 1.000 32.94528 ? 77  ARG B HH11 1 
ATOM   2190 H  HH12 . ARG B 1 57 ? -6.25129  -29.99320 22.04745 1.000 32.94528 ? 77  ARG B HH12 1 
ATOM   2191 H  HH21 . ARG B 1 57 ? -8.76750  -28.95171 20.20240 1.000 32.99211 ? 77  ARG B HH21 1 
ATOM   2192 H  HH22 . ARG B 1 57 ? -7.76701  -30.04465 20.35504 1.000 32.99211 ? 77  ARG B HH22 1 
ATOM   2193 N  N    . GLU B 1 58 ? -10.30160 -22.87924 24.36685 1.000 11.14745 ? 78  GLU B N    1 
ATOM   2194 C  CA   . GLU B 1 58 ? -11.74777 -22.88005 24.15996 1.000 11.15534 ? 78  GLU B CA   1 
ATOM   2195 C  C    . GLU B 1 58 ? -12.20624 -21.59663 23.48872 1.000 10.29259 ? 78  GLU B C    1 
ATOM   2196 O  O    . GLU B 1 58 ? -13.06107 -21.62714 22.59923 1.000 10.23256 ? 78  GLU B O    1 
ATOM   2197 C  CB   . GLU B 1 58 ? -12.49146 -23.07098 25.49279 1.000 12.19692 ? 78  GLU B CB   1 
ATOM   2198 C  CG   . GLU B 1 58 ? -12.19605 -24.36285 26.22212 1.000 12.66792 ? 78  GLU B CG   1 
ATOM   2199 C  CD   . GLU B 1 58 ? -12.90679 -25.56770 25.62938 1.000 11.12904 ? 78  GLU B CD   1 
ATOM   2200 O  OE1  . GLU B 1 58 ? -12.81042 -25.75611 24.39624 1.000 10.45971 ? 78  GLU B OE1  1 
ATOM   2201 O  OE2  . GLU B 1 58 ? -13.53307 -26.34652 26.39866 1.000 11.30142 ? 78  GLU B OE2  1 
ATOM   2202 H  H    . GLU B 1 58 ? -10.05687 -22.90187 25.19098 1.000 13.38733 ? 78  GLU B H    1 
ATOM   2203 H  HA   . GLU B 1 58 ? -11.96965 -23.62932 23.58528 1.000 13.39679 ? 78  GLU B HA   1 
ATOM   2204 H  HB2  . GLU B 1 58 ? -12.24812 -22.34250 26.08525 1.000 14.64669 ? 78  GLU B HB2  1 
ATOM   2205 H  HB3  . GLU B 1 58 ? -13.44499 -23.05046 25.31601 1.000 14.64669 ? 78  GLU B HB3  1 
ATOM   2206 H  HG2  . GLU B 1 58 ? -11.24180 -24.53282 26.18468 1.000 15.21189 ? 78  GLU B HG2  1 
ATOM   2207 H  HG3  . GLU B 1 58 ? -12.48127 -24.27409 27.14499 1.000 15.21189 ? 78  GLU B HG3  1 
ATOM   2208 N  N    . SER B 1 59 ? -11.66127 -20.45974 23.91507 1.000 10.14919 ? 79  SER B N    1 
ATOM   2209 C  CA   . SER B 1 59 ? -11.99718 -19.19701 23.27104 1.000 10.06910 ? 79  SER B CA   1 
ATOM   2210 C  C    . SER B 1 59 ? -11.54742 -19.17348 21.81582 1.000 9.07262  ? 79  SER B C    1 
ATOM   2211 O  O    . SER B 1 59 ? -12.26977 -18.66434 20.95530 1.000 9.34932  ? 79  SER B O    1 
ATOM   2212 C  CB   . SER B 1 59 ? -11.36637 -18.02780 24.01137 1.000 11.64340 ? 79  SER B CB   1 
ATOM   2213 O  OG   . SER B 1 59 ? -11.99578 -17.83315 25.25635 1.000 13.77013 ? 79  SER B OG   1 
ATOM   2214 H  H    . SER B 1 59 ? -11.10263 -20.39396 24.56560 1.000 12.18942 ? 79  SER B H    1 
ATOM   2215 H  HA   . SER B 1 59 ? -12.96158 -19.09834 23.30408 1.000 12.09331 ? 79  SER B HA   1 
ATOM   2216 H  HB2  . SER B 1 59 ? -10.42601 -18.21551 24.15760 1.000 13.98247 ? 79  SER B HB2  1 
ATOM   2217 H  HB3  . SER B 1 59 ? -11.46510 -17.22412 23.47727 1.000 13.98247 ? 79  SER B HB3  1 
ATOM   2218 H  HG   . SER B 1 59 ? -12.77675 -17.54588 25.14165 1.000 16.53455 ? 79  SER B HG   1 
ATOM   2219 N  N    . MET B 1 60 ? -10.35687 -19.70528 21.52358 1.000 8.77802  ? 80  MET B N    1 
ATOM   2220 C  CA   . MET B 1 60 ? -9.88416  -19.72034 20.13900 1.000 8.19288  ? 80  MET B CA   1 
ATOM   2221 C  C    . MET B 1 60 ? -10.72977 -20.64306 19.27007 1.000 8.24928  ? 80  MET B C    1 
ATOM   2222 O  O    . MET B 1 60 ? -10.96600 -20.34314 18.09602 1.000 8.43929  ? 80  MET B O    1 
ATOM   2223 C  CB   . MET B 1 60 ? -8.40007  -20.08421 20.05227 1.000 8.99891  ? 80  MET B CB   1 
ATOM   2224 C  CG   . MET B 1 60 ? -7.45447  -19.11823 20.75220 1.000 9.42428  ? 80  MET B CG   1 
ATOM   2225 S  SD   . MET B 1 60 ? -7.56980  -17.38398 20.26808 1.000 9.13727  ? 80  MET B SD   1 
ATOM   2226 C  CE   . MET B 1 60 ? -8.80774  -16.70887 21.36545 1.000 9.84505  ? 80  MET B CE   1 
ATOM   2227 H  H    . MET B 1 60 ? -9.81724  -20.05506 22.09459 1.000 10.54401 ? 80  MET B H    1 
ATOM   2228 H  HA   . MET B 1 60 ? -9.96100  -18.81600 19.79670 1.000 9.84185  ? 80  MET B HA   1 
ATOM   2229 H  HB2  . MET B 1 60 ? -8.27459  -20.95701 20.45647 1.000 10.80907 ? 80  MET B HB2  1 
ATOM   2230 H  HB3  . MET B 1 60 ? -8.14578  -20.11226 19.11661 1.000 10.80907 ? 80  MET B HB3  1 
ATOM   2231 H  HG2  . MET B 1 60 ? -7.63250  -19.15928 21.70484 1.000 11.31953 ? 80  MET B HG2  1 
ATOM   2232 H  HG3  . MET B 1 60 ? -6.54492  -19.40316 20.57210 1.000 11.31953 ? 80  MET B HG3  1 
ATOM   2233 H  HE1  . MET B 1 60 ? -8.78058  -15.74058 21.31458 1.000 11.82445 ? 80  MET B HE1  1 
ATOM   2234 H  HE2  . MET B 1 60 ? -9.68118  -17.03010 21.09194 1.000 11.82445 ? 80  MET B HE2  1 
ATOM   2235 H  HE3  . MET B 1 60 ? -8.61786  -16.99795 22.27170 1.000 11.82445 ? 80  MET B HE3  1 
ATOM   2236 N  N    . GLU B 1 61 ? -11.21138 -21.76303 19.82294 1.000 8.80248  ? 81  GLU B N    1 
ATOM   2237 C  CA   . GLU B 1 61 ? -12.10480 -22.62821 19.05229 1.000 8.70395  ? 81  GLU B CA   1 
ATOM   2238 C  C    . GLU B 1 61 ? -13.33252 -21.86210 18.58394 1.000 8.36132  ? 81  GLU B C    1 
ATOM   2239 O  O    . GLU B 1 61 ? -13.76583 -21.99852 17.43833 1.000 8.85561  ? 81  GLU B O    1 
ATOM   2240 C  CB   . GLU B 1 61 ? -12.55741 -23.82741 19.90112 1.000 9.02743  ? 81  GLU B CB   1 
ATOM   2241 C  CG   . GLU B 1 61 ? -11.48090 -24.84181 20.12235 1.000 9.44450  ? 81  GLU B CG   1 
ATOM   2242 C  CD   . GLU B 1 61 ? -11.83687 -25.93526 21.08999 1.000 9.60360  ? 81  GLU B CD   1 
ATOM   2243 O  OE1  . GLU B 1 61 ? -12.98333 -25.95826 21.58274 1.000 9.43648  ? 81  GLU B OE1  1 
ATOM   2244 O  OE2  . GLU B 1 61 ? -10.93606 -26.77128 21.35107 1.000 11.20095 ? 81  GLU B OE2  1 
ATOM   2245 H  H    . GLU B 1 61 ? -11.04003 -22.03561 20.62040 1.000 10.57336 ? 81  GLU B H    1 
ATOM   2246 H  HA   . GLU B 1 61 ? -11.61610 -22.95809 18.28207 1.000 10.45513 ? 81  GLU B HA   1 
ATOM   2247 H  HB2  . GLU B 1 61 ? -12.84506 -23.50507 20.76960 1.000 10.84331 ? 81  GLU B HB2  1 
ATOM   2248 H  HB3  . GLU B 1 61 ? -13.29408 -24.26925 19.45057 1.000 10.84331 ? 81  GLU B HB3  1 
ATOM   2249 H  HG2  . GLU B 1 61 ? -11.27252 -25.26083 19.27270 1.000 11.34379 ? 81  GLU B HG2  1 
ATOM   2250 H  HG3  . GLU B 1 61 ? -10.69680 -24.38875 20.46996 1.000 11.34379 ? 81  GLU B HG3  1 
ATOM   2251 N  N    . VAL B 1 62 ? -13.89829 -21.05341 19.46780 1.000 8.51724  ? 82  VAL B N    1 
ATOM   2252 C  CA   . VAL B 1 62 ? -15.08176 -20.28720 19.11338 1.000 8.52384  ? 82  VAL B CA   1 
ATOM   2253 C  C    . VAL B 1 62 ? -14.73674 -19.17846 18.13098 1.000 8.11506  ? 82  VAL B C    1 
ATOM   2254 O  O    . VAL B 1 62 ? -15.50740 -18.91774 17.20449 1.000 8.37882  ? 82  VAL B O    1 
ATOM   2255 C  CB   . VAL B 1 62 ? -15.80301 -19.79478 20.37738 1.000 9.51886  ? 82  VAL B CB   1 
ATOM   2256 C  CG1  . VAL B 1 62 ? -16.95550 -18.86345 20.00023 1.000 10.63470 ? 82  VAL B CG1  1 
ATOM   2257 C  CG2  . VAL B 1 62 ? -16.34458 -21.00543 21.14869 1.000 10.29777 ? 82  VAL B CG2  1 
ATOM   2258 H  H    . VAL B 1 62 ? -13.61973 -20.93095 20.27217 1.000 10.23108 ? 82  VAL B H    1 
ATOM   2259 H  HA   . VAL B 1 62 ? -15.70574 -20.86955 18.65249 1.000 10.23900 ? 82  VAL B HA   1 
ATOM   2260 H  HB   . VAL B 1 62 ? -15.18241 -19.30279 20.93749 1.000 11.43302 ? 82  VAL B HB   1 
ATOM   2261 H  HG11 . VAL B 1 62 ? -17.52627 -18.73779 20.77439 1.000 12.77202 ? 82  VAL B HG11 1 
ATOM   2262 H  HG12 . VAL B 1 62 ? -16.59195 -18.01047 19.71535 1.000 12.77202 ? 82  VAL B HG12 1 
ATOM   2263 H  HG13 . VAL B 1 62 ? -17.46239 -19.26503 19.27725 1.000 12.77202 ? 82  VAL B HG13 1 
ATOM   2264 H  HG21 . VAL B 1 62 ? -16.82995 -20.69209 21.92787 1.000 12.36771 ? 82  VAL B HG21 1 
ATOM   2265 H  HG22 . VAL B 1 62 ? -16.93799 -21.50902 20.56976 1.000 12.36771 ? 82  VAL B HG22 1 
ATOM   2266 H  HG23 . VAL B 1 62 ? -15.60021 -21.56277 21.42472 1.000 12.36771 ? 82  VAL B HG23 1 
ATOM   2267 N  N    . ASP B 1 63 ? -13.58196 -18.51926 18.29329 1.000 7.91957  ? 83  ASP B N    1 
ATOM   2268 C  CA   . ASP B 1 63 ? -13.17424 -17.52153 17.30608 1.000 7.76623  ? 83  ASP B CA   1 
ATOM   2269 C  C    . ASP B 1 63 ? -13.02163 -18.14088 15.92220 1.000 7.35792  ? 83  ASP B C    1 
ATOM   2270 O  O    . ASP B 1 63 ? -13.46810 -17.55649 14.92402 1.000 7.42985  ? 83  ASP B O    1 
ATOM   2271 C  CB   . ASP B 1 63 ? -11.88104 -16.83673 17.73142 1.000 8.44358  ? 83  ASP B CB   1 
ATOM   2272 C  CG   . ASP B 1 63 ? -12.07125 -15.84827 18.86668 1.000 9.63322  ? 83  ASP B CG   1 
ATOM   2273 O  OD1  . ASP B 1 63 ? -13.22724 -15.48856 19.17828 1.000 10.52293 ? 83  ASP B OD1  1 
ATOM   2274 O  OD2  . ASP B 1 63 ? -11.02888 -15.39154 19.39541 1.000 11.97843 ? 83  ASP B OD2  1 
ATOM   2275 H  H    . ASP B 1 63 ? -13.03486 -18.62980 18.94756 1.000 9.51388  ? 83  ASP B H    1 
ATOM   2276 H  HA   . ASP B 1 63 ? -13.86424 -16.84136 17.25958 1.000 9.32986  ? 83  ASP B HA   1 
ATOM   2277 H  HB2  . ASP B 1 63 ? -11.25060 -17.51201 18.02712 1.000 10.14268 ? 83  ASP B HB2  1 
ATOM   2278 H  HB3  . ASP B 1 63 ? -11.51771 -16.35299 16.97321 1.000 10.14268 ? 83  ASP B HB3  1 
ATOM   2279 N  N    . VAL B 1 64 ? -12.39808 -19.32161 15.84138 1.000 7.49218  ? 84  VAL B N    1 
ATOM   2280 C  CA   . VAL B 1 64 ? -12.29335 -20.01731 14.56291 1.000 7.60082  ? 84  VAL B CA   1 
ATOM   2281 C  C    . VAL B 1 64 ? -13.68104 -20.29124 13.98664 1.000 7.86357  ? 84  VAL B C    1 
ATOM   2282 O  O    . VAL B 1 64 ? -13.93019 -20.05254 12.80707 1.000 7.97761  ? 84  VAL B O    1 
ATOM   2283 C  CB   . VAL B 1 64 ? -11.45738 -21.29989 14.72333 1.000 8.51590  ? 84  VAL B CB   1 
ATOM   2284 C  CG1  . VAL B 1 64 ? -11.60539 -22.19798 13.50830 1.000 9.30998  ? 84  VAL B CG1  1 
ATOM   2285 C  CG2  . VAL B 1 64 ? -9.98376  -20.96282 14.99849 1.000 9.01089  ? 84  VAL B CG2  1 
ATOM   2286 H  H    . VAL B 1 64 ? -12.03396 -19.73214 16.50356 1.000 9.00101  ? 84  VAL B H    1 
ATOM   2287 H  HA   . VAL B 1 64 ? -11.83162 -19.44506 13.93027 1.000 9.13138  ? 84  VAL B HA   1 
ATOM   2288 H  HB   . VAL B 1 64 ? -11.78970 -21.79257 15.48996 1.000 10.22946 ? 84  VAL B HB   1 
ATOM   2289 H  HG11 . VAL B 1 64 ? -10.86942 -22.82960 13.49092 1.000 11.18236 ? 84  VAL B HG11 1 
ATOM   2290 H  HG12 . VAL B 1 64 ? -12.44844 -22.67397 13.56824 1.000 11.18236 ? 84  VAL B HG12 1 
ATOM   2291 H  HG13 . VAL B 1 64 ? -11.59068 -21.65082 12.70749 1.000 11.18236 ? 84  VAL B HG13 1 
ATOM   2292 H  HG21 . VAL B 1 64 ? -9.49292  -21.78692 15.14280 1.000 10.82345 ? 84  VAL B HG21 1 
ATOM   2293 H  HG22 . VAL B 1 64 ? -9.61964  -20.49058 14.23343 1.000 10.82345 ? 84  VAL B HG22 1 
ATOM   2294 H  HG23 . VAL B 1 64 ? -9.93009  -20.40311 15.78890 1.000 10.82345 ? 84  VAL B HG23 1 
ATOM   2295 N  N    . SER B 1 65 ? -14.59741 -20.79760 14.81077 1.000 8.17701  ? 85  SER B N    1 
ATOM   2296 C  CA   . SER B 1 65 ? -15.94168 -21.09752 14.32534 1.000 8.48998  ? 85  SER B CA   1 
ATOM   2297 C  C    . SER B 1 65 ? -16.65899 -19.85084 13.82369 1.000 8.21872  ? 85  SER B C    1 
ATOM   2298 O  O    . SER B 1 65 ? -17.32027 -19.88160 12.77883 1.000 8.20812  ? 85  SER B O    1 
ATOM   2299 C  CB   . SER B 1 65 ? -16.77321 -21.76065 15.42546 1.000 9.64883  ? 85  SER B CB   1 
ATOM   2300 O  OG   . SER B 1 65 ? -16.23108 -23.00337 15.80264 1.000 11.50540 ? 85  SER B OG   1 
ATOM   2301 H  H    . SER B 1 65 ? -14.46860 -20.97412 15.64254 1.000 9.82280  ? 85  SER B H    1 
ATOM   2302 H  HA   . SER B 1 65 ? -15.85469 -21.71783 13.58471 1.000 10.19836 ? 85  SER B HA   1 
ATOM   2303 H  HB2  . SER B 1 65 ? -16.78917 -21.17764 16.20053 1.000 11.58898 ? 85  SER B HB2  1 
ATOM   2304 H  HB3  . SER B 1 65 ? -17.67495 -21.89930 15.09599 1.000 11.58898 ? 85  SER B HB3  1 
ATOM   2305 H  HG   . SER B 1 65 ? -15.39506 -22.94630 15.86095 1.000 13.81686 ? 85  SER B HG   1 
ATOM   2306 N  N    . LYS B 1 66 ? -16.54464 -18.75402 14.56532 1.000 7.66402  ? 86  LYS B N    1 
ATOM   2307 C  CA   . LYS B 1 66 ? -17.15644 -17.49172 14.15609 1.000 7.59122  ? 86  LYS B CA   1 
ATOM   2308 C  C    . LYS B 1 66 ? -16.56298 -17.01519 12.83733 1.000 7.20491  ? 86  LYS B C    1 
ATOM   2309 O  O    . LYS B 1 66 ? -17.28749 -16.55485 11.94814 1.000 7.62320  ? 86  LYS B O    1 
ATOM   2310 C  CB   . LYS B 1 66 ? -16.94578 -16.42298 15.22229 1.000 7.91535  ? 86  LYS B CB   1 
ATOM   2311 C  CG   . LYS B 1 66 ? -17.76894 -16.61843 16.49284 1.000 8.36191  ? 86  LYS B CG   1 
ATOM   2312 C  CD   . LYS B 1 66 ? -17.34626 -15.61948 17.55290 1.000 9.17343  ? 86  LYS B CD   1 
ATOM   2313 C  CE   . LYS B 1 66 ? -18.27963 -15.58551 18.75487 1.000 10.05870 ? 86  LYS B CE   1 
ATOM   2314 N  NZ   . LYS B 1 66 ? -17.75563 -14.70500 19.80621 1.000 11.64847 ? 86  LYS B NZ   1 
ATOM   2315 H  H    . LYS B 1 66 ? -16.11823 -18.71127 15.31094 1.000 9.20721  ? 86  LYS B H    1 
ATOM   2316 H  HA   . LYS B 1 66 ? -18.11059 -17.63105 14.05078 1.000 9.11985  ? 86  LYS B HA   1 
ATOM   2317 H  HB2  . LYS B 1 66 ? -16.01000 -16.42275 15.47766 1.000 9.50881  ? 86  LYS B HB2  1 
ATOM   2318 H  HB3  . LYS B 1 66 ? -17.18752 -15.56171 14.84722 1.000 9.50881  ? 86  LYS B HB3  1 
ATOM   2319 H  HG2  . LYS B 1 66 ? -18.70900 -16.48238 16.29616 1.000 10.04467 ? 86  LYS B HG2  1 
ATOM   2320 H  HG3  . LYS B 1 66 ? -17.62837 -17.51414 16.83756 1.000 10.04467 ? 86  LYS B HG3  1 
ATOM   2321 H  HD2  . LYS B 1 66 ? -16.46055 -15.85450 17.87099 1.000 11.01851 ? 86  LYS B HD2  1 
ATOM   2322 H  HD3  . LYS B 1 66 ? -17.33352 -14.73210 17.16138 1.000 11.01851 ? 86  LYS B HD3  1 
ATOM   2323 H  HE2  . LYS B 1 66 ? -19.14788 -15.25177 18.47981 1.000 12.08082 ? 86  LYS B HE2  1 
ATOM   2324 H  HE3  . LYS B 1 66 ? -18.36837 -16.47984 19.11983 1.000 12.08082 ? 86  LYS B HE3  1 
ATOM   2325 H  HZ1  . LYS B 1 66 ? -18.01330 -14.99887 20.60580 1.000 13.98856 ? 86  LYS B HZ1  1 
ATOM   2326 H  HZ2  . LYS B 1 66 ? -16.86624 -14.69118 19.77641 1.000 13.98856 ? 86  LYS B HZ2  1 
ATOM   2327 H  HZ3  . LYS B 1 66 ? -18.06141 -13.87724 19.69040 1.000 13.98856 ? 86  LYS B HZ3  1 
ATOM   2328 N  N    . LEU B 1 67 ? -15.23427 -17.09890 12.69674 1.000 7.21073  ? 87  LEU B N    1 
ATOM   2329 C  CA   . LEU B 1 67 ? -14.58758 -16.66617 11.46148 1.000 7.10851  ? 87  LEU B CA   1 
ATOM   2330 C  C    . LEU B 1 67 ? -15.01396 -17.53434 10.29005 1.000 7.42093  ? 87  LEU B C    1 
ATOM   2331 O  O    . LEU B 1 67 ? -15.28925 -17.01756 9.20116  1.000 7.90549  ? 87  LEU B O    1 
ATOM   2332 C  CB   . LEU B 1 67 ? -13.07284 -16.68616 11.64623 1.000 7.26244  ? 87  LEU B CB   1 
ATOM   2333 C  CG   . LEU B 1 67 ? -12.52639 -15.52732 12.49097 1.000 7.41048  ? 87  LEU B CG   1 
ATOM   2334 C  CD1  . LEU B 1 67 ? -11.18215 -15.87072 13.07148 1.000 7.77242  ? 87  LEU B CD1  1 
ATOM   2335 C  CD2  . LEU B 1 67 ? -12.43675 -14.26326 11.65787 1.000 7.98398  ? 87  LEU B CD2  1 
ATOM   2336 H  H    . LEU B 1 67 ? -14.69459 -17.39896 13.29532 1.000 8.66326  ? 87  LEU B H    1 
ATOM   2337 H  HA   . LEU B 1 67 ? -14.84998 -15.75473 11.25819 1.000 8.54060  ? 87  LEU B HA   1 
ATOM   2338 H  HB2  . LEU B 1 67 ? -12.82581 -17.51426 12.08682 1.000 8.72531  ? 87  LEU B HB2  1 
ATOM   2339 H  HB3  . LEU B 1 67 ? -12.65396 -16.63736 10.77269 1.000 8.72531  ? 87  LEU B HB3  1 
ATOM   2340 H  HG   . LEU B 1 67 ? -13.13486 -15.36564 13.22889 1.000 8.90297  ? 87  LEU B HG   1 
ATOM   2341 H  HD11 . LEU B 1 67 ? -10.87746 -15.13186 13.62116 1.000 9.33729  ? 87  LEU B HD11 1 
ATOM   2342 H  HD12 . LEU B 1 67 ? -11.26677 -16.67194 13.61164 1.000 9.33729  ? 87  LEU B HD12 1 
ATOM   2343 H  HD13 . LEU B 1 67 ? -10.55542 -16.02467 12.34731 1.000 9.33729  ? 87  LEU B HD13 1 
ATOM   2344 H  HD21 . LEU B 1 67 ? -12.07940 -13.54788 12.20689 1.000 9.59117  ? 87  LEU B HD21 1 
ATOM   2345 H  HD22 . LEU B 1 67 ? -11.85079 -14.42423 10.90180 1.000 9.59117  ? 87  LEU B HD22 1 
ATOM   2346 H  HD23 . LEU B 1 67 ? -13.32407 -14.02800 11.34446 1.000 9.59117  ? 87  LEU B HD23 1 
ATOM   2347 N  N    . HIS B 1 68 ? -15.08591 -18.84326 10.49617 1.000 7.63357  ? 88  HIS B N    1 
ATOM   2348 C  CA   . HIS B 1 68 ? -15.53851 -19.73623 9.44104  1.000 8.18016  ? 88  HIS B CA   1 
ATOM   2349 C  C    . HIS B 1 68 ? -16.95007 -19.38848 8.99622  1.000 8.21625  ? 88  HIS B C    1 
ATOM   2350 O  O    . HIS B 1 68 ? -17.24744 -19.36925 7.79686  1.000 8.90879  ? 88  HIS B O    1 
ATOM   2351 C  CB   . HIS B 1 68 ? -15.51484 -21.17380 9.93704  1.000 9.69083  ? 88  HIS B CB   1 
ATOM   2352 C  CG   . HIS B 1 68 ? -15.94584 -22.12745 8.90204  1.000 14.26621 ? 88  HIS B CG   1 
ATOM   2353 N  ND1  . HIS B 1 68 ? -15.14995 -22.41952 7.81612  1.000 17.23712 ? 88  HIS B ND1  1 
ATOM   2354 C  CD2  . HIS B 1 68 ? -17.09771 -22.80319 8.72054  1.000 17.63769 ? 88  HIS B CD2  1 
ATOM   2355 C  CE1  . HIS B 1 68 ? -15.76046 -23.26973 7.03521  1.000 18.82007 ? 88  HIS B CE1  1 
ATOM   2356 N  NE2  . HIS B 1 68 ? -16.93577 -23.54389 7.57103  1.000 18.46633 ? 88  HIS B NE2  1 
ATOM   2357 H  H    . HIS B 1 68 ? -14.88002 -19.23703 11.23248 1.000 9.17068  ? 88  HIS B H    1 
ATOM   2358 H  HA   . HIS B 1 68 ? -14.93744 -19.64862 8.68478  1.000 9.82657  ? 88  HIS B HA   1 
ATOM   2359 H  HB2  . HIS B 1 68 ? -14.61054 -21.40353 10.20229 1.000 11.63938 ? 88  HIS B HB2  1 
ATOM   2360 H  HB3  . HIS B 1 68 ? -16.11446 -21.25837 10.69481 1.000 11.63938 ? 88  HIS B HB3  1 
ATOM   2361 H  HD1  . HIS B 1 68 ? -14.36800 -22.09106 7.67379  0.276 20.69493 ? 88  HIS B HD1  1 
ATOM   2362 H  HD2  . HIS B 1 68 ? -17.85207 -22.77487 9.26373  1.000 21.17561 ? 88  HIS B HD2  1 
ATOM   2363 H  HE1  . HIS B 1 68 ? -15.42625 -23.62043 6.24135  1.000 22.59447 ? 88  HIS B HE1  1 
ATOM   2364 N  N    . ALA B 1 69 ? -17.83816 -19.10116 9.94359  1.000 8.38613  ? 89  ALA B N    1 
ATOM   2365 C  CA   . ALA B 1 69 ? -19.20991 -18.74798 9.59315  1.000 9.21807  ? 89  ALA B CA   1 
ATOM   2366 C  C    . ALA B 1 69 ? -19.27474 -17.43943 8.81593  1.000 9.26140  ? 89  ALA B C    1 
ATOM   2367 O  O    . ALA B 1 69 ? -20.15866 -17.26331 7.97765  1.000 11.15531 ? 89  ALA B O    1 
ATOM   2368 C  CB   . ALA B 1 69 ? -20.06296 -18.67219 10.85528 1.000 10.01032 ? 89  ALA B CB   1 
ATOM   2369 H  H    . ALA B 1 69 ? -17.67472 -19.10315 10.78791 1.000 10.07374 ? 89  ALA B H    1 
ATOM   2370 H  HA   . ALA B 1 69 ? -19.57930 -19.44203 9.02503  1.000 11.07207 ? 89  ALA B HA   1 
ATOM   2371 H  HB1  . ALA B 1 69 ? -20.98547 -18.50929 10.60363 1.000 12.02277 ? 89  ALA B HB1  1 
ATOM   2372 H  HB2  . ALA B 1 69 ? -19.99420 -19.51308 11.33389 1.000 12.02277 ? 89  ALA B HB2  1 
ATOM   2373 H  HB3  . ALA B 1 69 ? -19.73906 -17.94711 11.41229 1.000 12.02277 ? 89  ALA B HB3  1 
ATOM   2374 N  N    . ALA B 1 70 ? -18.33078 -16.53690 9.04451  1.000 8.51124  ? 90  ALA B N    1 
ATOM   2375 C  CA   . ALA B 1 70 ? -18.20480 -15.29987 8.29493  1.000 8.64413  ? 90  ALA B CA   1 
ATOM   2376 C  C    . ALA B 1 70 ? -17.52930 -15.49316 6.94615  1.000 9.03853  ? 90  ALA B C    1 
ATOM   2377 O  O    . ALA B 1 70 ? -17.40294 -14.53041 6.18802  1.000 11.18827 ? 90  ALA B O    1 
ATOM   2378 C  CB   . ALA B 1 70 ? -17.43865 -14.26958 9.11897  1.000 9.12290  ? 90  ALA B CB   1 
ATOM   2379 H  H    . ALA B 1 70 ? -17.72858 -16.62257 9.65247  1.000 10.22387 ? 90  ALA B H    1 
ATOM   2380 H  HA   . ALA B 1 70 ? -19.09151 -14.94364 8.12839  1.000 10.38334 ? 90  ALA B HA   1 
ATOM   2381 H  HB1  . ALA B 1 70 ? -17.34956 -13.45414 8.60127  1.000 10.95787 ? 90  ALA B HB1  1 
ATOM   2382 H  HB2  . ALA B 1 70 ? -17.92952 -14.09057 9.93622  1.000 10.95787 ? 90  ALA B HB2  1 
ATOM   2383 H  HB3  . ALA B 1 70 ? -16.56109 -14.62422 9.33115  1.000 10.95787 ? 90  ALA B HB3  1 
ATOM   2384 N  N    . GLY B 1 71 ? -17.07176 -16.69247 6.62773  1.000 8.77628  ? 91  GLY B N    1 
ATOM   2385 C  CA   . GLY B 1 71 ? -16.43730 -16.97529 5.35682  1.000 9.29964  ? 91  GLY B CA   1 
ATOM   2386 C  C    . GLY B 1 71 ? -14.94259 -16.79574 5.31812  1.000 9.26373  ? 91  GLY B C    1 
ATOM   2387 O  O    . GLY B 1 71 ? -14.36433 -16.86802 4.22690  1.000 11.49119 ? 91  GLY B O    1 
ATOM   2388 H  H    . GLY B 1 71 ? -17.11889 -17.37703 7.14614  1.000 10.54192 ? 91  GLY B H    1 
ATOM   2389 H  HA2  . GLY B 1 71 ? -16.62728 -17.89575 5.11687  1.000 11.16996 ? 91  GLY B HA2  1 
ATOM   2390 H  HA3  . GLY B 1 71 ? -16.81949 -16.38861 4.68552  1.000 11.16996 ? 91  GLY B HA3  1 
ATOM   2391 N  N    . LEU B 1 72 ? -14.29806 -16.57739 6.46587  1.000 8.09668  ? 92  LEU B N    1 
ATOM   2392 C  CA   . LEU B 1 72 ? -12.85042 -16.40910 6.52894  1.000 7.94861  ? 92  LEU B CA   1 
ATOM   2393 C  C    . LEU B 1 72 ? -12.17258 -17.71540 6.91095  1.000 8.35836  ? 92  LEU B C    1 
ATOM   2394 O  O    . LEU B 1 72 ? -12.78690 -18.61476 7.48790  1.000 11.27385 ? 92  LEU B O    1 
ATOM   2395 C  CB   . LEU B 1 72 ? -12.45890 -15.27627 7.47258  1.000 7.55686  ? 92  LEU B CB   1 
ATOM   2396 C  CG   . LEU B 1 72 ? -13.00399 -13.90489 7.11644  1.000 9.54091  ? 92  LEU B CG   1 
ATOM   2397 C  CD1  . LEU B 1 72 ? -12.30797 -12.84264 7.98473  1.000 9.80825  ? 92  LEU B CD1  1 
ATOM   2398 C  CD2  . LEU B 1 72 ? -12.91844 -13.53953 5.65436  1.000 10.34174 ? 92  LEU B CD2  1 
ATOM   2399 H  H    . LEU B 1 72 ? -14.68618 -16.52229 7.23133  1.000 9.72641  ? 92  LEU B H    1 
ATOM   2400 H  HA   . LEU B 1 72 ? -12.52116 -16.16163 5.65073  1.000 9.54871  ? 92  LEU B HA   1 
ATOM   2401 H  HB2  . LEU B 1 72 ? -12.78399 -15.49438 8.36008  1.000 9.07862  ? 92  LEU B HB2  1 
ATOM   2402 H  HB3  . LEU B 1 72 ? -11.49128 -15.20886 7.48098  1.000 9.07862  ? 92  LEU B HB3  1 
ATOM   2403 H  HG   . LEU B 1 72 ? -13.95638 -13.92671 7.29911  1.000 11.45948 ? 92  LEU B HG   1 
ATOM   2404 H  HD11 . LEU B 1 72 ? -12.68779 -11.97282 7.78461  1.000 11.78029 ? 92  LEU B HD11 1 
ATOM   2405 H  HD12 . LEU B 1 72 ? -12.44856 -13.05772 8.92008  1.000 11.78029 ? 92  LEU B HD12 1 
ATOM   2406 H  HD13 . LEU B 1 72 ? -11.35892 -12.84323 7.78421  1.000 11.78029 ? 92  LEU B HD13 1 
ATOM   2407 H  HD21 . LEU B 1 72 ? -13.11899 -12.59599 5.55237  1.000 12.42047 ? 92  LEU B HD21 1 
ATOM   2408 H  HD22 . LEU B 1 72 ? -12.02121 -13.72341 5.33487  1.000 12.42047 ? 92  LEU B HD22 1 
ATOM   2409 H  HD23 . LEU B 1 72 ? -13.56141 -14.06989 5.15817  1.000 12.42047 ? 92  LEU B HD23 1 
ATOM   2410 N  N    . TRP B 1 73 ? -10.91111 -17.82686 6.52869  1.000 7.62106  ? 93  TRP B N    1 
ATOM   2411 C  CA   . TRP B 1 73 ? -10.11859 -19.04218 6.70976  1.000 7.67012  ? 93  TRP B CA   1 
ATOM   2412 C  C    . TRP B 1 73 ? -9.29997  -18.88620 7.97767  1.000 7.98811  ? 93  TRP B C    1 
ATOM   2413 O  O    . TRP B 1 73 ? -8.41106  -18.03050 8.02409  1.000 10.05835 ? 93  TRP B O    1 
ATOM   2414 C  CB   . TRP B 1 73 ? -9.18058  -19.24846 5.52749  1.000 8.54168  ? 93  TRP B CB   1 
ATOM   2415 C  CG   . TRP B 1 73 ? -9.86141  -19.45295 4.21823  1.000 8.75389  ? 93  TRP B CG   1 
ATOM   2416 C  CD1  . TRP B 1 73 ? -11.17918 -19.71761 3.98426  1.000 9.79430  ? 93  TRP B CD1  1 
ATOM   2417 C  CD2  . TRP B 1 73 ? -9.22209  -19.41303 2.95086  1.000 8.31912  ? 93  TRP B CD2  1 
ATOM   2418 N  NE1  . TRP B 1 73 ? -11.39909 -19.81475 2.62635  1.000 10.00551 ? 93  TRP B NE1  1 
ATOM   2419 C  CE2  . TRP B 1 73 ? -10.20851 -19.60890 1.97815  1.000 8.86390  ? 93  TRP B CE2  1 
ATOM   2420 C  CE3  . TRP B 1 73 ? -7.90421  -19.18024 2.54088  1.000 9.34044  ? 93  TRP B CE3  1 
ATOM   2421 C  CZ2  . TRP B 1 73 ? -9.91600  -19.61049 0.61931  1.000 9.87799  ? 93  TRP B CZ2  1 
ATOM   2422 C  CZ3  . TRP B 1 73 ? -7.61289  -19.19223 1.20629  1.000 10.09100 ? 93  TRP B CZ3  1 
ATOM   2423 C  CH2  . TRP B 1 73 ? -8.61540  -19.40512 0.26307  1.000 10.00634 ? 93  TRP B CH2  1 
ATOM   2424 H  H    . TRP B 1 73 ? -10.47269 -17.19234 6.14821  1.000 9.15566  ? 93  TRP B H    1 
ATOM   2425 H  HA   . TRP B 1 73 ? -10.71372 -19.80379 6.79141  1.000 9.21453  ? 93  TRP B HA   1 
ATOM   2426 H  HB2  . TRP B 1 73 ? -8.61498  -18.46499 5.44279  1.000 10.26040 ? 93  TRP B HB2  1 
ATOM   2427 H  HB3  . TRP B 1 73 ? -8.63683  -20.03319 5.69908  1.000 10.26040 ? 93  TRP B HB3  1 
ATOM   2428 H  HD1  . TRP B 1 73 ? -11.83026 -19.81736 4.64080  1.000 11.76355 ? 93  TRP B HD1  1 
ATOM   2429 H  HE1  . TRP B 1 73 ? -12.15506 -19.97699 2.24979  1.000 12.01700 ? 93  TRP B HE1  1 
ATOM   2430 H  HE3  . TRP B 1 73 ? -7.23650  -19.01971 3.16801  1.000 11.21891 ? 93  TRP B HE3  1 
ATOM   2431 H  HZ2  . TRP B 1 73 ? -10.57836 -19.74572 -0.01934 1.000 11.86398 ? 93  TRP B HZ2  1 
ATOM   2432 H  HZ3  . TRP B 1 73 ? -6.73688  -19.05697 0.92484  1.000 12.11958 ? 93  TRP B HZ3  1 
ATOM   2433 H  HH2  . TRP B 1 73 ? -8.39062  -19.40732 -0.63936 1.000 12.01800 ? 93  TRP B HH2  1 
ATOM   2434 N  N    . ALA B 1 74 ? -9.62877  -19.65582 9.00205  1.000 8.40562  ? 94  ALA B N    1 
ATOM   2435 C  CA   . ALA B 1 74 ? -9.03155  -19.49187 10.31014 1.000 8.72931  ? 94  ALA B CA   1 
ATOM   2436 C  C    . ALA B 1 74 ? -8.56449  -20.82565 10.85839 1.000 8.99230  ? 94  ALA B C    1 
ATOM   2437 O  O    . ALA B 1 74 ? -9.24360  -21.84494 10.69343 1.000 10.16211 ? 94  ALA B O    1 
ATOM   2438 C  CB   . ALA B 1 74 ? -9.99609  -18.84346 11.28578 1.000 9.77125  ? 94  ALA B CB   1 
ATOM   2439 H  H    . ALA B 1 74 ? -10.20672 -20.29131 8.96062  1.000 10.09713 ? 94  ALA B H    1 
ATOM   2440 H  HA   . ALA B 1 74 ? -8.25095  -18.92262 10.22336 1.000 10.48556 ? 94  ALA B HA   1 
ATOM   2441 H  HB1  . ALA B 1 74 ? -9.53864  -18.69008 12.12727 1.000 11.73589 ? 94  ALA B HB1  1 
ATOM   2442 H  HB2  . ALA B 1 74 ? -10.29991 -17.99979 10.91588 1.000 11.73589 ? 94  ALA B HB2  1 
ATOM   2443 H  HB3  . ALA B 1 74 ? -10.75192 -19.43566 11.42331 1.000 11.73589 ? 94  ALA B HB3  1 
ATOM   2444 N  N    . THR B 1 75 ? -7.43127  -20.79202 11.54803 1.000 9.41605  ? 95  THR B N    1 
ATOM   2445 C  CA   . THR B 1 75 ? -6.88023  -21.94245 12.25745 1.000 10.46879 ? 95  THR B CA   1 
ATOM   2446 C  C    . THR B 1 75 ? -6.45141  -21.48177 13.63853 1.000 9.97087  ? 95  THR B C    1 
ATOM   2447 O  O    . THR B 1 75 ? -6.42688  -20.28768 13.92482 1.000 9.49641  ? 95  THR B O    1 
ATOM   2448 C  CB   . THR B 1 75 ? -5.67773  -22.55447 11.51114 1.000 12.85879 ? 95  THR B CB   1 
ATOM   2449 O  OG1  . THR B 1 75 ? -4.63846  -21.56233 11.40969 1.000 13.54721 ? 95  THR B OG1  1 
ATOM   2450 C  CG2  . THR B 1 75 ? -6.09987  -23.07445 10.13221 1.000 14.55595 ? 95  THR B CG2  1 
ATOM   2451 H  H    . THR B 1 75 ? -6.94383  -20.08752 11.62342 1.000 11.30964 ? 95  THR B H    1 
ATOM   2452 H  HA   . THR B 1 75 ? -7.55860  -22.63083 12.34021 1.000 12.57293 ? 95  THR B HA   1 
ATOM   2453 H  HB   . THR B 1 75 ? -5.32781  -23.31840 11.99578 1.000 15.44093 ? 95  THR B HB   1 
ATOM   2454 H  HG1  . THR B 1 75 ? -4.19867  -21.53280 12.12475 1.000 16.26703 ? 95  THR B HG1  1 
ATOM   2455 H  HG21 . THR B 1 75 ? -5.35269  -23.51927 9.70238  1.000 17.47753 ? 95  THR B HG21 1 
ATOM   2456 H  HG22 . THR B 1 75 ? -6.83075  -23.70540 10.22507 1.000 17.47753 ? 95  THR B HG22 1 
ATOM   2457 H  HG23 . THR B 1 75 ? -6.39025  -22.33628 9.57393  1.000 17.47753 ? 95  THR B HG23 1 
ATOM   2458 N  N    . MET B 1 76 ? -6.12193  -22.42886 14.50435 1.000 10.50120 ? 96  MET B N    1 
ATOM   2459 C  CA   A MET B 1 76 ? -5.64625  -22.11568 15.84138 0.679 10.56697 ? 96  MET B CA   1 
ATOM   2460 C  CA   B MET B 1 76 ? -5.63364  -22.10450 15.82667 0.321 11.41292 ? 96  MET B CA   1 
ATOM   2461 C  C    . MET B 1 76 ? -4.44247  -22.98031 16.16648 1.000 11.88257 ? 96  MET B C    1 
ATOM   2462 O  O    . MET B 1 76 ? -4.25243  -24.05541 15.59287 1.000 12.96896 ? 96  MET B O    1 
ATOM   2463 C  CB   A MET B 1 76 ? -6.73410  -22.30382 16.91844 0.679 10.94701 ? 96  MET B CB   1 
ATOM   2464 C  CB   B MET B 1 76 ? -6.73254  -22.24421 16.86489 0.321 12.42265 ? 96  MET B CB   1 
ATOM   2465 C  CG   A MET B 1 76 ? -7.17272  -23.76521 17.14774 0.679 11.58379 ? 96  MET B CG   1 
ATOM   2466 C  CG   B MET B 1 76 ? -7.38770  -23.59823 16.86345 0.321 13.48976 ? 96  MET B CG   1 
ATOM   2467 S  SD   A MET B 1 76 ? -8.39361  -23.93707 18.45796 0.679 11.98950 ? 96  MET B SD   1 
ATOM   2468 S  SD   B MET B 1 76 ? -8.74636  -23.58061 17.98908 0.321 14.24996 ? 96  MET B SD   1 
ATOM   2469 C  CE   A MET B 1 76 ? -8.33350  -25.71184 18.70055 0.679 13.30213 ? 96  MET B CE   1 
ATOM   2470 C  CE   B MET B 1 76 ? -7.90469  -23.73510 19.54449 0.321 14.16437 ? 96  MET B CE   1 
ATOM   2471 H  H    . MET B 1 76 ? -6.16643  -23.27128 14.33715 1.000 12.61183 ? 96  MET B H    1 
ATOM   2472 H  HA   . MET B 1 76 ? -5.38141  -21.18263 15.85431 1.000 13.70590 ? 96  MET B HA   1 
ATOM   2473 H  HB2  A MET B 1 76 ? -6.39395  -21.96577 17.76160 0.679 13.14680 ? 96  MET B HB2  1 
ATOM   2474 H  HB2  B MET B 1 76 ? -6.35195  -22.09872 17.74517 0.321 14.91756 ? 96  MET B HB2  1 
ATOM   2475 H  HB3  A MET B 1 76 ? -7.52030  -21.80171 16.65263 0.679 13.14680 ? 96  MET B HB3  1 
ATOM   2476 H  HB3  B MET B 1 76 ? -7.41814  -21.58169 16.68624 0.321 14.91756 ? 96  MET B HB3  1 
ATOM   2477 H  HG2  A MET B 1 76 ? -7.56287  -24.10908 16.32893 0.679 13.91093 ? 96  MET B HG2  1 
ATOM   2478 H  HG2  B MET B 1 76 ? -7.71676  -23.80503 15.97471 0.321 16.19810 ? 96  MET B HG2  1 
ATOM   2479 H  HG3  A MET B 1 76 ? -6.39607  -24.29246 17.39212 0.679 13.91093 ? 96  MET B HG3  1 
ATOM   2480 H  HG3  B MET B 1 76 ? -6.75154  -24.27332 17.14708 0.321 16.19810 ? 96  MET B HG3  1 
ATOM   2481 H  HE1  A MET B 1 76 ? -8.99993  -25.96333 19.35898 0.679 15.97295 ? 96  MET B HE1  1 
ATOM   2482 H  HE1  B MET B 1 76 ? -8.55831  -23.71270 20.26085 0.321 17.00763 ? 96  MET B HE1  1 
ATOM   2483 H  HE2  A MET B 1 76 ? -8.51955  -26.15242 17.85665 0.679 15.97295 ? 96  MET B HE2  1 
ATOM   2484 H  HE2  B MET B 1 76 ? -7.42427  -24.57761 19.56128 0.321 17.00763 ? 96  MET B HE2  1 
ATOM   2485 H  HE3  A MET B 1 76 ? -7.44923  -25.95793 19.01427 0.679 15.97295 ? 96  MET B HE3  1 
ATOM   2486 H  HE3  B MET B 1 76 ? -7.28230  -22.99744 19.64141 0.321 17.00763 ? 96  MET B HE3  1 
ATOM   2487 N  N    . GLN B 1 77 ? -3.64691  -22.51039 17.11588 1.000 12.90197 ? 97  GLN B N    1 
ATOM   2488 C  CA   . GLN B 1 77 ? -2.50741  -23.28820 17.57529 1.000 14.63769 ? 97  GLN B CA   1 
ATOM   2489 C  C    . GLN B 1 77 ? -2.05981  -22.75770 18.92312 1.000 13.57345 ? 97  GLN B C    1 
ATOM   2490 O  O    . GLN B 1 77 ? -2.35667  -21.62941 19.30276 1.000 12.65762 ? 97  GLN B O    1 
ATOM   2491 C  CB   . GLN B 1 77 ? -1.35792  -23.26716 16.56880 1.000 18.13358 ? 97  GLN B CB   1 
ATOM   2492 C  CG   . GLN B 1 77 ? -0.76258  -21.90308 16.26602 1.000 21.01152 ? 97  GLN B CG   1 
ATOM   2493 C  CD   . GLN B 1 77 ? 0.24145   -21.98165 15.11877 1.000 24.30241 ? 97  GLN B CD   1 
ATOM   2494 O  OE1  . GLN B 1 77 ? -0.11950  -22.32896 13.98882 1.000 25.43442 ? 97  GLN B OE1  1 
ATOM   2495 N  NE2  . GLN B 1 77 ? 1.50351   -21.67695 15.40529 1.000 25.99000 ? 97  GLN B NE2  1 
ATOM   2496 H  H    . GLN B 1 77 ? -3.74479  -21.75052 17.50653 1.000 15.49275 ? 97  GLN B H    1 
ATOM   2497 H  HA   . GLN B 1 77 ? -2.78194  -24.21114 17.69242 1.000 17.57561 ? 97  GLN B HA   1 
ATOM   2498 H  HB2  . GLN B 1 77 ? -0.64158  -23.82185 16.91532 1.000 21.77068 ? 97  GLN B HB2  1 
ATOM   2499 H  HB3  . GLN B 1 77 ? -1.68281  -23.63048 15.73015 1.000 21.77068 ? 97  GLN B HB3  1 
ATOM   2500 H  HG2  . GLN B 1 77 ? -1.47130  -21.29153 16.01183 1.000 25.22422 ? 97  GLN B HG2  1 
ATOM   2501 H  HG3  . GLN B 1 77 ? -0.30345  -21.57014 17.05295 1.000 25.22422 ? 97  GLN B HG3  1 
ATOM   2502 H  HE21 . GLN B 1 77 ? 1.71979   -21.44934 16.20592 1.000 31.19838 ? 97  GLN B HE21 1 
ATOM   2503 H  HE22 . GLN B 1 77 ? 2.10357   -21.70748 14.78999 1.000 31.19838 ? 97  GLN B HE22 1 
ATOM   2504 N  N    . GLN B 1 78 ? -1.40746  -23.62336 19.67790 1.000 13.75627 ? 98  GLN B N    1 
ATOM   2505 C  CA   A GLN B 1 78 ? -0.90588  -23.22368 20.97770 0.387 14.57966 ? 98  GLN B CA   1 
ATOM   2506 C  CA   B GLN B 1 78 ? -0.89848  -23.23230 20.97858 0.613 14.31088 ? 98  GLN B CA   1 
ATOM   2507 C  C    . GLN B 1 78 ? 0.23356   -22.22718 20.81195 1.000 14.21017 ? 98  GLN B C    1 
ATOM   2508 O  O    . GLN B 1 78 ? 1.11990   -22.39895 19.97116 1.000 15.60523 ? 98  GLN B O    1 
ATOM   2509 C  CB   A GLN B 1 78 ? -0.44460  -24.44811 21.75574 0.387 16.25516 ? 98  GLN B CB   1 
ATOM   2510 C  CB   B GLN B 1 78 ? -0.39035  -24.47456 21.70426 0.613 16.04744 ? 98  GLN B CB   1 
ATOM   2511 C  CG   A GLN B 1 78 ? -0.34525  -24.21662 23.25667 0.387 18.28271 ? 98  GLN B CG   1 
ATOM   2512 C  CG   B GLN B 1 78 ? 0.11717   -24.25979 23.11863 0.613 18.57035 ? 98  GLN B CG   1 
ATOM   2513 C  CD   A GLN B 1 78 ? -0.51699  -25.49076 24.05182 0.387 20.17292 ? 98  GLN B CD   1 
ATOM   2514 C  CD   B GLN B 1 78 ? 0.68844   -25.53777 23.71171 0.613 20.70370 ? 98  GLN B CD   1 
ATOM   2515 O  OE1  A GLN B 1 78 ? -0.33949  -26.59229 23.53218 0.387 20.99053 ? 98  GLN B OE1  1 
ATOM   2516 O  OE1  B GLN B 1 78 ? 0.09961   -26.60209 23.57548 0.613 21.75397 ? 98  GLN B OE1  1 
ATOM   2517 N  NE2  A GLN B 1 78 ? -0.88244  -25.34806 25.31893 0.387 20.79754 ? 98  GLN B NE2  1 
ATOM   2518 N  NE2  B GLN B 1 78 ? 1.84795   -25.44072 24.34518 0.613 21.53023 ? 98  GLN B NE2  1 
ATOM   2519 H  H    . GLN B 1 78 ? -1.24554  -24.44030 19.46342 1.000 16.51791 ? 98  GLN B H    1 
ATOM   2520 H  HA   . GLN B 1 78 ? -1.60825  -22.79453 21.49093 1.000 17.18344 ? 98  GLN B HA   1 
ATOM   2521 H  HB2  A GLN B 1 78 ? -1.07731  -25.16837 21.60805 0.387 19.51658 ? 98  GLN B HB2  1 
ATOM   2522 H  HB2  B GLN B 1 78 ? -1.11773  -25.11427 21.75518 0.613 19.26732 ? 98  GLN B HB2  1 
ATOM   2523 H  HB3  A GLN B 1 78 ? 0.43397   -24.70773 21.43697 0.387 19.51658 ? 98  GLN B HB3  1 
ATOM   2524 H  HB3  B GLN B 1 78 ? 0.34332   -24.84664 21.19028 0.613 19.26732 ? 98  GLN B HB3  1 
ATOM   2525 H  HG2  A GLN B 1 78 ? 0.52793   -23.84825 23.46347 0.387 21.94964 ? 98  GLN B HG2  1 
ATOM   2526 H  HG2  B GLN B 1 78 ? 0.81788   -23.58912 23.10884 0.613 22.29480 ? 98  GLN B HG2  1 
ATOM   2527 H  HG3  A GLN B 1 78 ? -1.03980  -23.59641 23.52840 0.387 21.94964 ? 98  GLN B HG3  1 
ATOM   2528 H  HG3  B GLN B 1 78 ? -0.61644  -23.96495 23.68058 0.613 22.29480 ? 98  GLN B HG3  1 
ATOM   2529 H  HE21 A GLN B 1 78 ? -1.00794  -24.56196 25.64434 0.387 24.96743 ? 98  GLN B HE21 1 
ATOM   2530 H  HE21 B GLN B 1 78 ? 2.24220   -24.67884 24.40611 0.613 25.84666 ? 98  GLN B HE21 1 
ATOM   2531 H  HE22 A GLN B 1 78 ? -0.99388  -26.04165 25.81503 0.387 24.96743 ? 98  GLN B HE22 1 
ATOM   2532 H  HE22 B GLN B 1 78 ? 2.20638   -26.13959 24.69547 0.613 25.84666 ? 98  GLN B HE22 1 
ATOM   2533 N  N    . ASP B 1 79 ? 0.20898   -21.18366 21.62980 1.000 14.50313 ? 99  ASP B N    1 
ATOM   2534 C  CA   . ASP B 1 79 ? 1.25634   -20.19086 21.55941 1.000 18.01499 ? 99  ASP B CA   1 
ATOM   2535 C  C    . ASP B 1 79 ? 2.51161   -20.72291 22.24625 1.000 24.13241 ? 99  ASP B C    1 
ATOM   2536 O  O    . ASP B 1 79 ? 2.46363   -21.67197 23.03387 1.000 24.07815 ? 99  ASP B O    1 
ATOM   2537 C  CB   . ASP B 1 79 ? 0.77634   -18.90029 22.21418 1.000 17.99227 ? 99  ASP B CB   1 
ATOM   2538 C  CG   . ASP B 1 79 ? 1.51990   -17.67399 21.72666 1.000 18.76057 ? 99  ASP B CG   1 
ATOM   2539 O  OD1  . ASP B 1 79 ? 2.40789   -17.78367 20.85458 1.000 19.47468 ? 99  ASP B OD1  1 
ATOM   2540 O  OD2  . ASP B 1 79 ? 1.21281   -16.58132 22.22255 1.000 19.89851 ? 99  ASP B OD2  1 
ATOM   2541 H  H    . ASP B 1 79 ? -0.39563  -21.03459 22.22295 1.000 17.41415 ? 99  ASP B H    1 
ATOM   2542 H  HA   . ASP B 1 79 ? 1.48574   -19.98877 20.63884 1.000 21.62838 ? 99  ASP B HA   1 
ATOM   2543 H  HB2  . ASP B 1 79 ? -0.16497  -18.77741 22.01482 1.000 21.60112 ? 99  ASP B HB2  1 
ATOM   2544 H  HB3  . ASP B 1 79 ? 0.90646   -18.96658 23.17312 1.000 21.60112 ? 99  ASP B HB3  1 
ATOM   2545 N  N    . ARG B 1 80 ? 3.64558   -20.09683 21.93158 1.000 30.43273 ? 100 ARG B N    1 
ATOM   2546 C  CA   . ARG B 1 80 ? 4.96533   -20.57592 22.35901 1.000 36.74780 ? 100 ARG B CA   1 
ATOM   2547 C  C    . ARG B 1 80 ? 5.45039   -19.86461 23.61720 1.000 39.32282 ? 100 ARG B C    1 
ATOM   2548 O  O    . ARG B 1 80 ? 6.29277   -20.39874 24.34663 1.000 40.25494 ? 100 ARG B O    1 
ATOM   2549 C  CB   . ARG B 1 80 ? 5.99469   -20.37295 21.23586 1.000 39.59001 ? 100 ARG B CB   1 
ATOM   2550 C  CG   . ARG B 1 80 ? 5.62209   -21.00574 19.87946 1.000 41.74889 ? 100 ARG B CG   1 
ATOM   2551 C  CD   . ARG B 1 80 ? 5.59164   -22.52875 19.93299 1.000 43.23869 ? 100 ARG B CD   1 
ATOM   2552 N  NE   . ARG B 1 80 ? 6.91648   -23.04685 20.24757 1.000 44.07249 ? 100 ARG B NE   1 
ATOM   2553 C  CZ   . ARG B 1 80 ? 7.93632   -23.12682 19.40088 1.000 44.61055 ? 100 ARG B CZ   1 
ATOM   2554 N  NH1  . ARG B 1 80 ? 7.79479   -22.88743 18.10238 1.000 44.76519 ? 100 ARG B NH1  1 
ATOM   2555 N  NH2  . ARG B 1 80 ? 9.13695   -23.44539 19.87246 1.000 44.77808 ? 100 ARG B NH2  1 
ATOM   2556 O  OXT  . ARG B 1 80 ? 5.02228   -18.74772 23.92255 1.000 40.05829 ? 100 ARG B OXT  1 
ATOM   2557 H  H    . ARG B 1 80 ? 3.68089   -19.37735 21.46180 1.000 36.52966 ? 100 ARG B H    1 
ATOM   2558 H  HA   . ARG B 1 80 ? 4.89366   -21.52228 22.55941 1.000 44.10775 ? 100 ARG B HA   1 
ATOM   2559 H  HB2  . ARG B 1 80 ? 6.10512   -19.42028 21.09054 1.000 47.51840 ? 100 ARG B HB2  1 
ATOM   2560 H  HB3  . ARG B 1 80 ? 6.83596   -20.76534 21.51728 1.000 47.51840 ? 100 ARG B HB3  1 
ATOM   2561 H  HG2  . ARG B 1 80 ? 4.74096   -20.69680 19.61667 1.000 50.10906 ? 100 ARG B HG2  1 
ATOM   2562 H  HG3  . ARG B 1 80 ? 6.27796   -20.74164 19.21539 1.000 50.10906 ? 100 ARG B HG3  1 
ATOM   2563 H  HD2  . ARG B 1 80 ? 4.97312   -22.81861 20.62171 1.000 51.89682 ? 100 ARG B HD2  1 
ATOM   2564 H  HD3  . ARG B 1 80 ? 5.31722   -22.87998 19.07147 1.000 51.89682 ? 100 ARG B HD3  1 
ATOM   2565 H  HE   . ARG B 1 80 ? 7.04944   -23.32473 21.05050 1.000 52.89737 ? 100 ARG B HE   1 
ATOM   2566 H  HH11 . ARG B 1 80 ? 7.02435   -22.67291 17.78616 1.000 53.72861 ? 100 ARG B HH11 1 
ATOM   2567 H  HH12 . ARG B 1 80 ? 8.47358   -22.94691 17.57768 1.000 53.72861 ? 100 ARG B HH12 1 
ATOM   2568 H  HH21 . ARG B 1 80 ? 9.24299   -23.59557 20.71258 1.000 53.74408 ? 100 ARG B HH21 1 
ATOM   2569 H  HH22 . ARG B 1 80 ? 9.80804   -23.50141 19.33757 1.000 53.74408 ? 100 ARG B HH22 1 
HETATM 2570 NI NI   . NI  C 2 .  ? 3.72735   -16.51351 20.08266 0.642 15.27275 ? 201 NI  A NI   1 
HETATM 2571 NI NI   A NI  D 2 .  ? -4.72699  -8.25833  41.13840 0.488 20.50011 ? 202 NI  A NI   1 
HETATM 2572 NI NI   B NI  D 2 .  ? -5.60349  -9.14355  39.76625 0.512 11.89640 ? 202 NI  A NI   1 
HETATM 2573 MG MG   . MG  E 3 .  ? 1.79459   -4.23561  34.93485 1.000 15.21569 ? 203 MG  A MG   1 
HETATM 2574 NI NI   . NI  F 2 .  ? -13.71728 -27.08146 23.15083 1.000 9.27243  ? 201 NI  B NI   1 
HETATM 2575 NI NI   . NI  G 2 .  ? -1.98238  -5.56066  -2.37909 1.000 52.78570 ? 202 NI  B NI   1 
HETATM 2576 MG MG   . MG  H 3 .  ? -11.90303 -16.46710 3.05392  1.000 17.37646 ? 203 MG  B MG   1 
HETATM 2577 O  O    . HOH I 4 .  ? 4.71471   0.06354   15.64329 1.000 19.26341 ? 301 HOH A O    1 
HETATM 2578 O  O    . HOH I 4 .  ? 14.86937  -4.55227  8.97167  1.000 53.90625 ? 302 HOH A O    1 
HETATM 2579 O  O    . HOH I 4 .  ? 10.54418  -16.25867 15.47679 1.000 52.07184 ? 303 HOH A O    1 
HETATM 2580 O  O    . HOH I 4 .  ? 3.05108   -1.83735  37.38860 1.000 59.36814 ? 304 HOH A O    1 
HETATM 2581 O  O    . HOH I 4 .  ? 2.77621   1.92194   19.91310 1.000 26.96745 ? 305 HOH A O    1 
HETATM 2582 O  O    . HOH I 4 .  ? 5.30050   0.09539   18.39558 1.000 20.33547 ? 306 HOH A O    1 
HETATM 2583 O  O    . HOH I 4 .  ? 9.67048   -11.05328 28.07129 1.000 31.85394 ? 307 HOH A O    1 
HETATM 2584 O  O    . HOH I 4 .  ? -3.72110  -5.63873  44.76691 1.000 67.81310 ? 308 HOH A O    1 
HETATM 2585 O  O    . HOH I 4 .  ? -6.21021  10.94775  26.78266 1.000 52.37287 ? 309 HOH A O    1 
HETATM 2586 O  O    . HOH I 4 .  ? 4.71573   0.50203   38.43470 1.000 41.15734 ? 310 HOH A O    1 
HETATM 2587 O  O    . HOH I 4 .  ? 4.26561   -18.08396 18.98435 1.000 25.49082 ? 311 HOH A O    1 
HETATM 2588 O  O    . HOH I 4 .  ? 7.62493   -14.75342 28.53221 1.000 56.74907 ? 312 HOH A O    1 
HETATM 2589 O  O    . HOH I 4 .  ? -1.10907  -12.86597 38.80518 1.000 29.60678 ? 313 HOH A O    1 
HETATM 2590 O  O    . HOH I 4 .  ? -17.38128 -0.44244  25.28167 1.000 45.87624 ? 314 HOH A O    1 
HETATM 2591 O  O    . HOH I 4 .  ? 2.33572   -6.59297  13.97575 1.000 37.83417 ? 315 HOH A O    1 
HETATM 2592 O  O    . HOH I 4 .  ? -4.35542  -10.88771 39.33939 1.000 19.77678 ? 316 HOH A O    1 
HETATM 2593 O  O    . HOH I 4 .  ? 14.68328  -16.32430 14.60854 1.000 46.88434 ? 317 HOH A O    1 
HETATM 2594 O  O    . HOH I 4 .  ? 2.05444   -1.53782  18.78138 1.000 17.25459 ? 318 HOH A O    1 
HETATM 2595 O  O    . HOH I 4 .  ? -7.96295  3.77056   17.67998 1.000 27.88072 ? 319 HOH A O    1 
HETATM 2596 O  O    . HOH I 4 .  ? 6.12374   8.57587   33.31908 1.000 33.04354 ? 320 HOH A O    1 
HETATM 2597 O  O    . HOH I 4 .  ? 13.60877  -10.79269 25.33800 1.000 21.22328 ? 321 HOH A O    1 
HETATM 2598 O  O    . HOH I 4 .  ? 2.39547   -15.88925 18.56573 1.000 23.40827 ? 322 HOH A O    1 
HETATM 2599 O  O    . HOH I 4 .  ? 1.69499   -16.11242 33.18829 1.000 42.71057 ? 323 HOH A O    1 
HETATM 2600 O  O    . HOH I 4 .  ? -0.75075  7.09728   32.26958 1.000 35.10552 ? 324 HOH A O    1 
HETATM 2601 O  O    . HOH I 4 .  ? 12.49041  3.02373   23.38528 1.000 29.80644 ? 325 HOH A O    1 
HETATM 2602 O  O    . HOH I 4 .  ? -8.75997  -2.56796  19.18388 1.000 10.27078 ? 326 HOH A O    1 
HETATM 2603 O  O    . HOH I 4 .  ? 13.67977  -23.53732 22.57998 1.000 24.93880 ? 327 HOH A O    1 
HETATM 2604 O  O    . HOH I 4 .  ? -2.79073  9.66330   29.93106 1.000 49.19100 ? 328 HOH A O    1 
HETATM 2605 O  O    . HOH I 4 .  ? 13.15552  3.37791   27.26934 1.000 19.10987 ? 329 HOH A O    1 
HETATM 2606 O  O    . HOH I 4 .  ? 14.74512  -11.83843 16.50077 1.000 31.11994 ? 330 HOH A O    1 
HETATM 2607 O  O    . HOH I 4 .  ? 7.70495   -15.95642 22.43220 1.000 46.57850 ? 331 HOH A O    1 
HETATM 2608 O  O    . HOH I 4 .  ? -8.21004  -15.68731 30.94769 1.000 18.19267 ? 332 HOH A O    1 
HETATM 2609 O  O    . HOH I 4 .  ? -7.23227  10.82738  28.88575 1.000 39.05457 ? 333 HOH A O    1 
HETATM 2610 O  O    . HOH I 4 .  ? -14.03983 -7.46827  26.52376 1.000 25.29959 ? 334 HOH A O    1 
HETATM 2611 O  O    . HOH I 4 .  ? -1.15737  -15.24265 28.87016 1.000 16.61242 ? 335 HOH A O    1 
HETATM 2612 O  O    . HOH I 4 .  ? -1.95605  -0.19139  18.07737 1.000 21.42638 ? 336 HOH A O    1 
HETATM 2613 O  O    . HOH I 4 .  ? -4.56715  -8.21530  20.84486 1.000 24.16394 ? 337 HOH A O    1 
HETATM 2614 O  O    . HOH I 4 .  ? -13.07282 -11.70390 21.33321 1.000 42.46852 ? 338 HOH A O    1 
HETATM 2615 O  O    . HOH I 4 .  ? 2.93159   -12.82975 36.31247 1.000 14.49083 ? 339 HOH A O    1 
HETATM 2616 O  O    . HOH I 4 .  ? -0.50893  -2.64000  18.70671 1.000 18.05065 ? 340 HOH A O    1 
HETATM 2617 O  O    . HOH I 4 .  ? 11.49914  -14.57834 27.18814 1.000 60.21512 ? 341 HOH A O    1 
HETATM 2618 O  O    . HOH I 4 .  ? 14.81019  0.80087   25.16630 1.000 23.17541 ? 342 HOH A O    1 
HETATM 2619 O  O    . HOH I 4 .  ? -3.05663  -11.67947 24.26510 1.000 17.95130 ? 343 HOH A O    1 
HETATM 2620 O  O    . HOH I 4 .  ? -9.47933  -11.97785 29.09489 1.000 13.76302 ? 344 HOH A O    1 
HETATM 2621 O  O    . HOH I 4 .  ? 7.25792   -0.84286  34.99381 1.000 27.27271 ? 345 HOH A O    1 
HETATM 2622 O  O    . HOH I 4 .  ? 12.48104  -7.82843  14.52264 1.000 22.48382 ? 346 HOH A O    1 
HETATM 2623 O  O    . HOH I 4 .  ? 1.72042   2.92428   38.17505 1.000 43.20018 ? 347 HOH A O    1 
HETATM 2624 O  O    . HOH I 4 .  ? -5.80541  -16.73337 38.12045 1.000 57.25022 ? 348 HOH A O    1 
HETATM 2625 O  O    . HOH I 4 .  ? 9.69310   4.90025   29.78912 1.000 13.31134 ? 349 HOH A O    1 
HETATM 2626 O  O    . HOH I 4 .  ? -3.48234  -9.90035  40.96424 0.495 29.05128 ? 350 HOH A O    1 
HETATM 2627 O  O    . HOH I 4 .  ? 7.78733   -17.35728 26.48918 1.000 53.74176 ? 351 HOH A O    1 
HETATM 2628 O  O    . HOH I 4 .  ? -5.56473  0.49832   17.49192 1.000 14.73730 ? 352 HOH A O    1 
HETATM 2629 O  O    . HOH I 4 .  ? 1.89645   -10.00590 40.43358 1.000 24.93773 ? 353 HOH A O    1 
HETATM 2630 O  O    . HOH I 4 .  ? 3.58993   6.44011   27.92201 1.000 12.37768 ? 354 HOH A O    1 
HETATM 2631 O  O    . HOH I 4 .  ? 16.64686  -4.84643  23.60178 1.000 52.44683 ? 355 HOH A O    1 
HETATM 2632 O  O    . HOH I 4 .  ? 4.83004   -20.81439 16.01888 1.000 46.23133 ? 356 HOH A O    1 
HETATM 2633 O  O    . HOH I 4 .  ? -2.25729  -8.97040  21.52335 1.000 24.09289 ? 357 HOH A O    1 
HETATM 2634 O  O    . HOH I 4 .  ? 17.82507  -12.26166 7.37071  1.000 59.74612 ? 358 HOH A O    1 
HETATM 2635 O  O    . HOH I 4 .  ? -3.55889  2.40877   39.07377 1.000 22.35066 ? 359 HOH A O    1 
HETATM 2636 O  O    . HOH I 4 .  ? 16.88841  1.57153   16.01880 1.000 44.41144 ? 360 HOH A O    1 
HETATM 2637 O  O    . HOH I 4 .  ? -9.08954  3.97561   22.13291 1.000 34.66288 ? 361 HOH A O    1 
HETATM 2638 O  O    . HOH I 4 .  ? -1.09340  8.11943   23.44395 1.000 20.10414 ? 362 HOH A O    1 
HETATM 2639 O  O    . HOH I 4 .  ? 16.10722  -3.67244  21.00649 1.000 34.76204 ? 363 HOH A O    1 
HETATM 2640 O  O    . HOH I 4 .  ? -14.47933 1.19490   22.45071 1.000 20.67040 ? 364 HOH A O    1 
HETATM 2641 O  O    . HOH I 4 .  ? 17.09394  -9.35224  17.37025 1.000 24.53137 ? 365 HOH A O    1 
HETATM 2642 O  O    . HOH I 4 .  ? -3.41010  -7.28010  39.96581 0.871 37.72681 ? 366 HOH A O    1 
HETATM 2643 O  O    . HOH I 4 .  ? 12.41271  -19.84444 16.61138 1.000 38.60068 ? 367 HOH A O    1 
HETATM 2644 O  O    . HOH I 4 .  ? -8.31834  -2.82559  40.45403 1.000 19.15395 ? 368 HOH A O    1 
HETATM 2645 O  O    . HOH I 4 .  ? 6.07261   -1.11749  39.83382 1.000 37.47517 ? 369 HOH A O    1 
HETATM 2646 O  O    . HOH I 4 .  ? -3.11628  -14.41524 37.93304 1.000 40.27267 ? 370 HOH A O    1 
HETATM 2647 O  O    . HOH I 4 .  ? 12.08507  -6.69465  27.71674 1.000 17.81610 ? 371 HOH A O    1 
HETATM 2648 O  O    . HOH I 4 .  ? -7.31295  6.01312   22.17454 1.000 32.25593 ? 372 HOH A O    1 
HETATM 2649 O  O    . HOH I 4 .  ? 13.47715  -12.89444 23.19580 1.000 16.89314 ? 373 HOH A O    1 
HETATM 2650 O  O    . HOH I 4 .  ? -0.46321  -9.26313  41.10722 1.000 34.46633 ? 374 HOH A O    1 
HETATM 2651 O  O    . HOH I 4 .  ? -2.82644  -16.49008 28.65473 1.000 78.42455 ? 375 HOH A O    1 
HETATM 2652 O  O    . HOH I 4 .  ? 6.31094   -3.73172  13.34765 1.000 27.70887 ? 376 HOH A O    1 
HETATM 2653 O  O    . HOH I 4 .  ? -2.79403  -4.69603  37.84885 1.000 42.16608 ? 377 HOH A O    1 
HETATM 2654 O  O    . HOH I 4 .  ? -13.53508 3.49790   23.70065 1.000 24.24427 ? 378 HOH A O    1 
HETATM 2655 O  O    . HOH I 4 .  ? -10.06013 -1.22110  38.91445 1.000 14.84828 ? 379 HOH A O    1 
HETATM 2656 O  O    . HOH I 4 .  ? -2.43952  2.20170   41.85567 1.000 51.89491 ? 380 HOH A O    1 
HETATM 2657 O  O    . HOH I 4 .  ? 6.72192   5.08388   35.52522 1.000 44.61706 ? 381 HOH A O    1 
HETATM 2658 O  O    . HOH I 4 .  ? -1.70793  -13.97158 24.71795 1.000 32.16129 ? 382 HOH A O    1 
HETATM 2659 O  O    . HOH I 4 .  ? 13.37582  -4.31184  14.37645 1.000 26.78898 ? 383 HOH A O    1 
HETATM 2660 O  O    . HOH I 4 .  ? 4.46156   -2.60684  14.67047 1.000 36.83159 ? 384 HOH A O    1 
HETATM 2661 O  O    . HOH I 4 .  ? -13.68578 -8.62193  23.13727 1.000 46.68731 ? 385 HOH A O    1 
HETATM 2662 O  O    . HOH I 4 .  ? -3.66186  -18.68096 35.73965 1.000 61.09862 ? 386 HOH A O    1 
HETATM 2663 O  O    . HOH I 4 .  ? 9.80160   -1.65221  11.99628 1.000 44.81058 ? 387 HOH A O    1 
HETATM 2664 O  O    . HOH I 4 .  ? 0.00781   -5.47934  17.53532 1.000 27.09524 ? 388 HOH A O    1 
HETATM 2665 O  O    . HOH I 4 .  ? 4.73702   -11.33519 16.80177 1.000 48.37948 ? 389 HOH A O    1 
HETATM 2666 O  O    . HOH I 4 .  ? 8.47198   1.60218   34.92018 1.000 40.23449 ? 390 HOH A O    1 
HETATM 2667 O  O    . HOH I 4 .  ? -9.45721  -13.33770 31.64366 1.000 14.05546 ? 391 HOH A O    1 
HETATM 2668 O  O    . HOH I 4 .  ? -1.82262  3.61141   38.88290 1.000 52.70255 ? 392 HOH A O    1 
HETATM 2669 O  O    . HOH I 4 .  ? 5.36667   -16.46145 26.02315 1.000 50.15699 ? 393 HOH A O    1 
HETATM 2670 O  O    . HOH I 4 .  ? 15.55135  -7.93892  15.27470 1.000 39.45261 ? 394 HOH A O    1 
HETATM 2671 O  O    . HOH I 4 .  ? -0.93538  -19.10238 33.40165 1.000 48.72667 ? 395 HOH A O    1 
HETATM 2672 O  O    . HOH I 4 .  ? -2.36018  13.13086  26.13805 1.000 37.36037 ? 396 HOH A O    1 
HETATM 2673 O  O    . HOH I 4 .  ? -15.82834 -5.15578  27.69995 1.000 45.17966 ? 397 HOH A O    1 
HETATM 2674 O  O    . HOH I 4 .  ? 10.44614  -16.31330 23.60068 1.000 59.93303 ? 398 HOH A O    1 
HETATM 2675 O  O    . HOH I 4 .  ? 1.87798   -12.28875 17.24329 1.000 39.05795 ? 399 HOH A O    1 
HETATM 2676 O  O    . HOH I 4 .  ? 16.58979  -5.82764  7.01177  1.000 47.55924 ? 400 HOH A O    1 
HETATM 2677 O  O    . HOH I 4 .  ? 5.93129   -16.13943 14.97133 1.000 43.20799 ? 401 HOH A O    1 
HETATM 2678 O  O    . HOH I 4 .  ? 13.24610  -18.27496 14.91172 1.000 59.02141 ? 402 HOH A O    1 
HETATM 2679 O  O    . HOH I 4 .  ? 13.00239  -24.96451 19.56967 1.000 34.10919 ? 403 HOH A O    1 
HETATM 2680 O  O    . HOH I 4 .  ? 5.99642   -16.97637 31.91830 1.000 37.67309 ? 404 HOH A O    1 
HETATM 2681 O  O    . HOH I 4 .  ? 20.19595  -12.94466 10.52041 1.000 51.57849 ? 405 HOH A O    1 
HETATM 2682 O  O    . HOH I 4 .  ? 15.88139  -4.75665  15.19888 1.000 50.01488 ? 406 HOH A O    1 
HETATM 2683 O  O    . HOH I 4 .  ? -1.78668  -5.53780  36.18710 1.000 42.52592 ? 407 HOH A O    1 
HETATM 2684 O  O    . HOH I 4 .  ? 12.10638  -15.30375 11.05829 1.000 62.16222 ? 408 HOH A O    1 
HETATM 2685 O  O    . HOH I 4 .  ? 0.11841   -14.27293 26.59954 1.000 21.75192 ? 409 HOH A O    1 
HETATM 2686 O  O    . HOH I 4 .  ? 21.45735  -14.05464 12.98139 1.000 62.99353 ? 410 HOH A O    1 
HETATM 2687 O  O    . HOH I 4 .  ? 8.30923   -7.97114  12.35172 1.000 42.40645 ? 411 HOH A O    1 
HETATM 2688 O  O    . HOH I 4 .  ? 13.77188  -22.05202 15.40874 1.000 53.67376 ? 412 HOH A O    1 
HETATM 2689 O  O    . HOH I 4 .  ? -4.30494  -6.07801  34.96114 1.000 37.32050 ? 413 HOH A O    1 
HETATM 2690 O  O    . HOH I 4 .  ? -0.56030  -8.35938  19.48650 1.000 45.22899 ? 414 HOH A O    1 
HETATM 2691 O  O    . HOH I 4 .  ? -6.04403  -4.29700  41.39213 1.000 45.05101 ? 415 HOH A O    1 
HETATM 2692 O  O    . HOH I 4 .  ? -2.32957  -16.94907 37.15478 1.000 41.89465 ? 416 HOH A O    1 
HETATM 2693 O  O    . HOH I 4 .  ? 3.58903   -1.96398  41.23991 1.000 54.00213 ? 417 HOH A O    1 
HETATM 2694 O  O    . HOH I 4 .  ? -4.83071  -5.44955  37.95775 1.000 45.20387 ? 418 HOH A O    1 
HETATM 2695 O  O    . HOH I 4 .  ? -10.75444 3.47602   19.96001 1.000 54.86736 ? 419 HOH A O    1 
HETATM 2696 O  O    . HOH I 4 .  ? 11.81356  -5.52053  10.92436 1.000 54.21049 ? 420 HOH A O    1 
HETATM 2697 O  O    . HOH I 4 .  ? 2.95935   -18.26650 26.84295 1.000 58.62914 ? 421 HOH A O    1 
HETATM 2698 O  O    . HOH I 4 .  ? 4.64203   -15.01689 24.01056 1.000 39.19436 ? 422 HOH A O    1 
HETATM 2699 O  O    . HOH I 4 .  ? 1.27350   -13.56047 19.45060 1.000 35.51360 ? 423 HOH A O    1 
HETATM 2700 O  O    . HOH I 4 .  ? -2.41267  9.75177   22.10724 1.000 45.51087 ? 424 HOH A O    1 
HETATM 2701 O  O    . HOH I 4 .  ? 9.87832   4.56760   32.49180 1.000 14.08225 ? 425 HOH A O    1 
HETATM 2702 O  O    . HOH I 4 .  ? 9.26788   -14.81985 30.07030 1.000 63.02536 ? 426 HOH A O    1 
HETATM 2703 O  O    . HOH I 4 .  ? -0.55913  1.92037   17.94095 1.000 40.26366 ? 427 HOH A O    1 
HETATM 2704 O  O    . HOH I 4 .  ? -5.23874  -2.59689  43.66177 1.000 55.88958 ? 428 HOH A O    1 
HETATM 2705 O  O    . HOH I 4 .  ? 12.04388  -2.97137  11.51390 1.000 69.41050 ? 429 HOH A O    1 
HETATM 2706 O  O    . HOH I 4 .  ? 15.22229  -6.78643  24.57650 1.000 41.23818 ? 430 HOH A O    1 
HETATM 2707 O  O    . HOH I 4 .  ? 20.24045  -6.35634  17.54749 1.000 55.71242 ? 431 HOH A O    1 
HETATM 2708 O  O    . HOH I 4 .  ? -1.17643  11.69695  27.28635 1.000 62.93855 ? 432 HOH A O    1 
HETATM 2709 O  O    . HOH I 4 .  ? -12.37567 -13.79416 27.09082 0.703 36.26830 ? 433 HOH A O    1 
HETATM 2710 O  O    . HOH I 4 .  ? -4.73600  -10.48683 21.70310 1.000 43.94386 ? 434 HOH A O    1 
HETATM 2711 O  O    . HOH I 4 .  ? 1.44350   1.10218   18.32161 1.000 31.19177 ? 435 HOH A O    1 
HETATM 2712 O  O    . HOH I 4 .  ? -13.59711 -9.39177  28.30548 1.000 40.42941 ? 436 HOH A O    1 
HETATM 2713 O  O    . HOH I 4 .  ? -8.39158  -13.65922 27.22134 1.000 25.34468 ? 437 HOH A O    1 
HETATM 2714 O  O    . HOH I 4 .  ? -0.13055  -17.49435 30.13535 1.000 28.99329 ? 438 HOH A O    1 
HETATM 2715 O  O    . HOH I 4 .  ? -3.71834  -7.85893  42.87829 1.000 46.88613 ? 439 HOH A O    1 
HETATM 2716 O  O    . HOH I 4 .  ? -5.16763  4.04491   16.82233 1.000 35.33434 ? 440 HOH A O    1 
HETATM 2717 O  O    . HOH I 4 .  ? -1.53974  -12.96323 41.93275 1.000 57.30581 ? 441 HOH A O    1 
HETATM 2718 O  O    . HOH I 4 .  ? -12.58007 1.89628   19.15732 1.000 31.22425 ? 442 HOH A O    1 
HETATM 2719 O  O    . HOH I 4 .  ? 5.92427   -8.47784  12.29404 1.000 52.43907 ? 443 HOH A O    1 
HETATM 2720 O  O    . HOH I 4 .  ? -7.38714  8.40814   23.36731 1.000 40.51904 ? 444 HOH A O    1 
HETATM 2721 O  O    . HOH I 4 .  ? 15.40871  -3.24606  24.99868 1.000 44.93948 ? 445 HOH A O    1 
HETATM 2722 O  O    . HOH I 4 .  ? 11.16401  -12.11391 30.45470 1.000 82.75806 ? 446 HOH A O    1 
HETATM 2723 O  O    . HOH I 4 .  ? 11.17247  -17.36300 13.25091 1.000 60.04620 ? 447 HOH A O    1 
HETATM 2724 O  O    . HOH I 4 .  ? 1.86220   -19.42382 29.42353 1.000 50.05690 ? 448 HOH A O    1 
HETATM 2725 O  O    . HOH I 4 .  ? 1.52412   -13.82834 38.36889 1.000 21.63197 ? 449 HOH A O    1 
HETATM 2726 O  O    . HOH I 4 .  ? -12.96598 0.09272   32.67024 1.000 29.29404 ? 450 HOH A O    1 
HETATM 2727 O  O    . HOH I 4 .  ? 13.72376  -2.29008  12.70132 1.000 53.53031 ? 451 HOH A O    1 
HETATM 2728 O  O    . HOH I 4 .  ? -1.98457  -11.54089 20.27796 1.000 28.45528 ? 452 HOH A O    1 
HETATM 2729 O  O    . HOH I 4 .  ? -1.55061  -9.99221  43.20062 1.000 62.14567 ? 453 HOH A O    1 
HETATM 2730 O  O    . HOH I 4 .  ? -5.09431  -5.16366  46.59262 1.000 59.84324 ? 454 HOH A O    1 
HETATM 2731 O  O    . HOH I 4 .  ? 1.39486   7.34909   29.13636 1.000 31.80019 ? 455 HOH A O    1 
HETATM 2732 O  O    . HOH I 4 .  ? 3.64711   -16.92800 33.45808 1.000 55.48037 ? 456 HOH A O    1 
HETATM 2733 O  O    . HOH I 4 .  ? 4.35366   -14.99622 35.84514 1.000 38.79153 ? 457 HOH A O    1 
HETATM 2734 O  O    . HOH I 4 .  ? 4.49723   -3.75109  43.22167 1.000 23.31447 ? 458 HOH A O    1 
HETATM 2735 O  O    . HOH I 4 .  ? 13.58967  -14.28015 25.56185 1.000 25.64361 ? 459 HOH A O    1 
HETATM 2736 O  O    . HOH I 4 .  ? -1.07799  6.67257   29.62085 1.000 41.70359 ? 460 HOH A O    1 
HETATM 2737 O  O    . HOH I 4 .  ? -16.88513 -0.15979  21.97105 1.000 57.31130 ? 461 HOH A O    1 
HETATM 2738 O  O    . HOH I 4 .  ? -3.62207  3.36325   15.12288 1.000 47.92805 ? 462 HOH A O    1 
HETATM 2739 O  O    . HOH I 4 .  ? -10.17048 4.83916   16.48566 1.000 36.64031 ? 463 HOH A O    1 
HETATM 2740 O  O    . HOH I 4 .  ? -14.74918 1.32916   19.59099 1.000 48.36924 ? 464 HOH A O    1 
HETATM 2741 O  O    . HOH I 4 .  ? 3.80976   7.51608   25.28198 1.000 12.18259 ? 465 HOH A O    1 
HETATM 2742 O  O    . HOH I 4 .  ? 13.20427  0.26904   13.48034 1.000 73.06910 ? 466 HOH A O    1 
HETATM 2743 O  O    . HOH I 4 .  ? -4.56996  -9.31885  44.15765 1.000 49.53300 ? 467 HOH A O    1 
HETATM 2744 O  O    . HOH I 4 .  ? 2.42204   -9.67941  44.86690 1.000 39.13200 ? 468 HOH A O    1 
HETATM 2745 O  O    . HOH I 4 .  ? -6.95570  -0.46302  45.19187 1.000 47.26545 ? 469 HOH A O    1 
HETATM 2746 O  O    . HOH I 4 .  ? 6.45591   -16.40043 34.26711 1.000 36.31827 ? 470 HOH A O    1 
HETATM 2747 O  O    . HOH I 4 .  ? 9.94532   -13.96244 32.72209 1.000 48.24570 ? 471 HOH A O    1 
HETATM 2748 O  O    . HOH I 4 .  ? 15.93515  -1.38279  11.97529 1.000 51.38221 ? 472 HOH A O    1 
HETATM 2749 O  O    . HOH I 4 .  ? 3.83760   -4.72432  46.07259 1.000 41.83537 ? 473 HOH A O    1 
HETATM 2750 O  O    . HOH I 4 .  ? 2.46667   -2.50464  47.42440 1.000 51.79782 ? 474 HOH A O    1 
HETATM 2751 O  O    . HOH I 4 .  ? 8.89128   -16.00309 33.29461 1.000 49.03105 ? 475 HOH A O    1 
HETATM 2752 O  O    . HOH I 4 .  ? -16.14579 -7.85826  30.98079 1.000 50.20343 ? 476 HOH A O    1 
HETATM 2753 O  O    . HOH I 4 .  ? -11.30530 -5.65523  42.15772 1.000 51.76907 ? 477 HOH A O    1 
HETATM 2754 O  O    . HOH I 4 .  ? -9.73103  -0.37015  44.80436 1.000 50.32206 ? 478 HOH A O    1 
HETATM 2755 O  O    . HOH J 4 .  ? -18.69133 -24.72705 6.96830  1.000 16.60326 ? 301 HOH B O    1 
HETATM 2756 O  O    . HOH J 4 .  ? -23.06672 -5.59285  11.37618 1.000 49.52349 ? 302 HOH B O    1 
HETATM 2757 O  O    . HOH J 4 .  ? 2.85607   -6.53842  7.33430  1.000 48.95773 ? 303 HOH B O    1 
HETATM 2758 O  O    . HOH J 4 .  ? -11.07075 -13.25455 21.05137 1.000 23.34722 ? 304 HOH B O    1 
HETATM 2759 O  O    . HOH J 4 .  ? -1.18704  -28.26396 21.88275 1.000 40.22163 ? 305 HOH B O    1 
HETATM 2760 O  O    . HOH J 4 .  ? 0.38830   -0.04305  14.26824 1.000 45.77381 ? 306 HOH B O    1 
HETATM 2761 O  O    . HOH J 4 .  ? -13.24865 -10.17470 -4.82976 1.000 56.55273 ? 307 HOH B O    1 
HETATM 2762 O  O    . HOH J 4 .  ? 2.49473   -3.17818  16.43377 1.000 21.21986 ? 308 HOH B O    1 
HETATM 2763 O  O    . HOH J 4 .  ? -6.43361  -9.15964  0.93272  1.000 57.83383 ? 309 HOH B O    1 
HETATM 2764 O  O    . HOH J 4 .  ? -5.63401  -10.37904 -0.59647 1.000 43.70255 ? 310 HOH B O    1 
HETATM 2765 O  O    . HOH J 4 .  ? 0.52847   -21.53738 11.61023 1.000 43.51729 ? 311 HOH B O    1 
HETATM 2766 O  O    . HOH J 4 .  ? -0.45322  -14.59834 22.40981 1.000 38.08484 ? 312 HOH B O    1 
HETATM 2767 O  O    . HOH J 4 .  ? -11.97550 -28.23799 23.22963 1.000 12.71457 ? 313 HOH B O    1 
HETATM 2768 O  O    . HOH J 4 .  ? -14.42937 -28.17662 24.77408 1.000 10.34187 ? 314 HOH B O    1 
HETATM 2769 O  O    . HOH J 4 .  ? -21.47221 -11.77644 14.88810 1.000 33.14062 ? 315 HOH B O    1 
HETATM 2770 O  O    . HOH J 4 .  ? -6.96134  -12.31345 25.09502 1.000 25.83659 ? 316 HOH B O    1 
HETATM 2771 O  O    . HOH J 4 .  ? -16.80695 -26.17513 7.61592  1.000 16.69352 ? 317 HOH B O    1 
HETATM 2772 O  O    . HOH J 4 .  ? -11.53939 -0.30896  2.92776  1.000 65.05689 ? 318 HOH B O    1 
HETATM 2773 O  O    . HOH J 4 .  ? 2.06711   -12.74991 9.30338  1.000 32.53151 ? 319 HOH B O    1 
HETATM 2774 O  O    . HOH J 4 .  ? -3.39132  -11.07114 -1.40380 1.000 49.03051 ? 320 HOH B O    1 
HETATM 2775 O  O    . HOH J 4 .  ? -2.66639  -22.72877 12.76056 1.000 32.78041 ? 321 HOH B O    1 
HETATM 2776 O  O    . HOH J 4 .  ? 3.15191   -15.03228 21.26139 1.000 25.69346 ? 322 HOH B O    1 
HETATM 2777 O  O    . HOH J 4 .  ? -9.70013  -1.12011  6.47764  1.000 30.56399 ? 323 HOH B O    1 
HETATM 2778 O  O    . HOH J 4 .  ? -17.51479 -24.76563 5.27304  1.000 26.81697 ? 324 HOH B O    1 
HETATM 2779 O  O    . HOH J 4 .  ? -13.60654 -15.72973 25.57638 1.000 42.31652 ? 325 HOH B O    1 
HETATM 2780 O  O    . HOH J 4 .  ? -14.78719 -13.33114 19.51468 1.000 22.80469 ? 326 HOH B O    1 
HETATM 2781 O  O    . HOH J 4 .  ? -14.16589 -15.52011 0.20380  1.000 49.83286 ? 327 HOH B O    1 
HETATM 2782 O  O    . HOH J 4 .  ? -10.03775 -18.38094 -3.02160 1.000 22.94428 ? 328 HOH B O    1 
HETATM 2783 O  O    . HOH J 4 .  ? -7.47310  -11.19363 3.00277  1.000 21.49223 ? 329 HOH B O    1 
HETATM 2784 O  O    . HOH J 4 .  ? -13.46980 -25.64200 29.00940 1.000 11.46904 ? 330 HOH B O    1 
HETATM 2785 O  O    . HOH J 4 .  ? -10.21083 -28.46854 19.14437 1.000 39.50968 ? 331 HOH B O    1 
HETATM 2786 O  O    . HOH J 4 .  ? -15.44281 -17.58169 1.84904  1.000 38.82000 ? 332 HOH B O    1 
HETATM 2787 O  O    . HOH J 4 .  ? -14.64441 -1.95899  5.74953  1.000 11.96815 ? 333 HOH B O    1 
HETATM 2788 O  O    . HOH J 4 .  ? -0.57599  -4.14246  8.87888  1.000 19.28059 ? 334 HOH B O    1 
HETATM 2789 O  O    . HOH J 4 .  ? -19.13460 -6.45148  17.80203 1.000 46.74515 ? 335 HOH B O    1 
HETATM 2790 O  O    . HOH J 4 .  ? -13.71887 -16.41333 21.69368 1.000 22.76019 ? 336 HOH B O    1 
HETATM 2791 O  O    . HOH J 4 .  ? -18.02644 -12.18504 18.74968 1.000 18.88230 ? 337 HOH B O    1 
HETATM 2792 O  O    . HOH J 4 .  ? -9.97238  -24.44595 11.15417 1.000 16.71341 ? 338 HOH B O    1 
HETATM 2793 O  O    . HOH J 4 .  ? -3.34857  -10.24212 17.21552 1.000 23.42270 ? 339 HOH B O    1 
HETATM 2794 O  O    . HOH J 4 .  ? -2.99558  -15.43122 -0.93251 1.000 34.73383 ? 340 HOH B O    1 
HETATM 2795 O  O    . HOH J 4 .  ? -11.76166 -20.76945 28.39950 1.000 21.41879 ? 341 HOH B O    1 
HETATM 2796 O  O    . HOH J 4 .  ? -15.51499 -16.01124 20.73474 1.000 32.99086 ? 342 HOH B O    1 
HETATM 2797 O  O    . HOH J 4 .  ? -8.61718  -10.67455 0.26837  1.000 25.92172 ? 343 HOH B O    1 
HETATM 2798 O  O    . HOH J 4 .  ? -2.72570  -19.08499 30.29259 1.000 41.87046 ? 344 HOH B O    1 
HETATM 2799 O  O    . HOH J 4 .  ? -11.35811 -8.55729  21.71248 1.000 24.81954 ? 345 HOH B O    1 
HETATM 2800 O  O    . HOH J 4 .  ? -3.94418  0.89689   11.50978 1.000 17.46853 ? 346 HOH B O    1 
HETATM 2801 O  O    . HOH J 4 .  ? -16.60521 -23.65854 18.47324 1.000 22.85002 ? 347 HOH B O    1 
HETATM 2802 O  O    . HOH J 4 .  ? 2.52416   -20.77162 18.20733 1.000 41.88810 ? 348 HOH B O    1 
HETATM 2803 O  O    . HOH J 4 .  ? -17.38095 -24.82279 14.03657 1.000 48.06064 ? 349 HOH B O    1 
HETATM 2804 O  O    . HOH J 4 .  ? -1.45373  -17.46559 2.90373  1.000 13.23460 ? 350 HOH B O    1 
HETATM 2805 O  O    . HOH J 4 .  ? -19.69625 -15.26365 12.51056 1.000 12.76781 ? 351 HOH B O    1 
HETATM 2806 O  O    . HOH J 4 .  ? -18.94119 -20.76075 6.06995  1.000 42.05245 ? 352 HOH B O    1 
HETATM 2807 O  O    . HOH J 4 .  ? -22.51982 -18.75449 7.94432  1.000 30.32955 ? 353 HOH B O    1 
HETATM 2808 O  O    . HOH J 4 .  ? -18.56305 -22.16789 11.75796 1.000 14.73349 ? 354 HOH B O    1 
HETATM 2809 O  O    . HOH J 4 .  ? -15.85855 -2.01389  19.68057 1.000 36.02235 ? 355 HOH B O    1 
HETATM 2810 O  O    . HOH J 4 .  ? -0.75739  -10.25156 14.74700 1.000 39.32055 ? 356 HOH B O    1 
HETATM 2811 O  O    . HOH J 4 .  ? -15.13394 -25.02643 14.19736 1.000 44.44663 ? 357 HOH B O    1 
HETATM 2812 O  O    . HOH J 4 .  ? -2.35732  -2.16959  16.47717 1.000 41.33046 ? 358 HOH B O    1 
HETATM 2813 O  O    . HOH J 4 .  ? -9.78937  -15.75086 4.88900  1.000 9.73774  ? 359 HOH B O    1 
HETATM 2814 O  O    . HOH J 4 .  ? 5.06408   -17.17212 21.57670 1.000 27.33780 ? 360 HOH B O    1 
HETATM 2815 O  O    . HOH J 4 .  ? 0.54714   -12.18756 12.95821 1.000 30.79866 ? 361 HOH B O    1 
HETATM 2816 O  O    . HOH J 4 .  ? -13.18632 -24.44418 16.14759 1.000 15.01008 ? 362 HOH B O    1 
HETATM 2817 O  O    . HOH J 4 .  ? -16.07435 -14.87553 2.27126  1.000 68.69594 ? 363 HOH B O    1 
HETATM 2818 O  O    . HOH J 4 .  ? -10.10678 5.04875   12.10576 1.000 40.81547 ? 364 HOH B O    1 
HETATM 2819 O  O    . HOH J 4 .  ? -9.77389  -16.84230 26.70920 1.000 16.80113 ? 365 HOH B O    1 
HETATM 2820 O  O    . HOH J 4 .  ? 3.14101   -24.38542 19.91714 1.000 31.52169 ? 366 HOH B O    1 
HETATM 2821 O  O    . HOH J 4 .  ? -13.88751 -20.22785 1.32507  1.000 33.34089 ? 367 HOH B O    1 
HETATM 2822 O  O    . HOH J 4 .  ? 1.08671   -0.77017  12.14842 1.000 52.98914 ? 368 HOH B O    1 
HETATM 2823 O  O    . HOH J 4 .  ? -12.39000 2.53284   16.07237 1.000 20.71821 ? 369 HOH B O    1 
HETATM 2824 O  O    . HOH J 4 .  ? -4.91055  -17.36545 -1.15925 1.000 30.08312 ? 370 HOH B O    1 
HETATM 2825 O  O    . HOH J 4 .  ? -14.46174 -28.40276 21.71875 1.000 10.49280 ? 371 HOH B O    1 
HETATM 2826 O  O    . HOH J 4 .  ? -7.00481  -8.82282  4.00434  1.000 26.65348 ? 372 HOH B O    1 
HETATM 2827 O  O    . HOH J 4 .  ? -20.10444 -11.64672 8.55179  1.000 30.99566 ? 373 HOH B O    1 
HETATM 2828 O  O    . HOH J 4 .  ? -12.09325 -21.14930 8.65162  1.000 23.99932 ? 374 HOH B O    1 
HETATM 2829 O  O    . HOH J 4 .  ? -3.22052  -25.44743 13.29003 1.000 47.38579 ? 375 HOH B O    1 
HETATM 2830 O  O    . HOH J 4 .  ? -0.98227  -12.72998 0.73001  1.000 37.34613 ? 376 HOH B O    1 
HETATM 2831 O  O    . HOH J 4 .  ? -15.34765 -25.85581 19.93406 1.000 21.90675 ? 377 HOH B O    1 
HETATM 2832 O  O    . HOH J 4 .  ? -6.63280  -25.13698 13.62241 1.000 15.92462 ? 378 HOH B O    1 
HETATM 2833 O  O    . HOH J 4 .  ? -8.19953  -9.31682  -2.47088 1.000 55.09509 ? 379 HOH B O    1 
HETATM 2834 O  O    . HOH J 4 .  ? -14.66332 -20.17355 5.92835  1.000 32.38737 ? 380 HOH B O    1 
HETATM 2835 O  O    . HOH J 4 .  ? -20.65324 -15.84354 5.50311  1.000 43.64312 ? 381 HOH B O    1 
HETATM 2836 O  O    . HOH J 4 .  ? -9.68200  -10.78222 20.72904 0.885 20.78652 ? 382 HOH B O    1 
HETATM 2837 O  O    . HOH J 4 .  ? -6.13512  -23.03017 27.00553 1.000 22.98764 ? 383 HOH B O    1 
HETATM 2838 O  O    . HOH J 4 .  ? 1.15240   -4.90624  10.99023 1.000 39.24339 ? 384 HOH B O    1 
HETATM 2839 O  O    . HOH J 4 .  ? -12.19710 -3.49959  -0.09054 1.000 15.72579 ? 385 HOH B O    1 
HETATM 2840 O  O    . HOH J 4 .  ? -1.22745  -26.43297 18.92715 1.000 26.07965 ? 386 HOH B O    1 
HETATM 2841 O  O    . HOH J 4 .  ? -5.20518  -8.65460  18.16077 1.000 16.94230 ? 387 HOH B O    1 
HETATM 2842 O  O    . HOH J 4 .  ? -13.20082 -18.59479 -1.32307 1.000 43.17150 ? 388 HOH B O    1 
HETATM 2843 O  O    . HOH J 4 .  ? -15.17255 -24.95665 9.42254  1.000 23.22989 ? 389 HOH B O    1 
HETATM 2844 O  O    . HOH J 4 .  ? -12.78921 -23.05031 6.17674  1.000 31.96726 ? 390 HOH B O    1 
HETATM 2845 O  O    . HOH J 4 .  ? -16.05075 -11.71724 -2.55577 1.000 57.41834 ? 391 HOH B O    1 
HETATM 2846 O  O    . HOH J 4 .  ? -20.45678 -13.39671 10.71246 1.000 28.87790 ? 392 HOH B O    1 
HETATM 2847 O  O    . HOH J 4 .  ? -15.09317 1.66625   14.92632 1.000 26.83798 ? 393 HOH B O    1 
HETATM 2848 O  O    . HOH J 4 .  ? -9.06643  -13.35257 3.41836  1.000 12.88582 ? 394 HOH B O    1 
HETATM 2849 O  O    . HOH J 4 .  ? -16.25743 -14.93682 22.34756 1.000 57.08014 ? 395 HOH B O    1 
HETATM 2850 O  O    . HOH J 4 .  ? -1.63714  -16.30073 22.97530 1.000 31.16843 ? 396 HOH B O    1 
HETATM 2851 O  O    . HOH J 4 .  ? -16.01877 -9.76264  0.28482  1.000 22.58894 ? 397 HOH B O    1 
HETATM 2852 O  O    . HOH J 4 .  ? -0.43516  -4.72144  -1.07061 1.000 50.39813 ? 398 HOH B O    1 
HETATM 2853 O  O    . HOH J 4 .  ? -18.00580 -4.00478  16.87323 1.000 28.51131 ? 399 HOH B O    1 
HETATM 2854 O  O    . HOH J 4 .  ? -9.80831  -14.59760 23.72939 1.000 44.07986 ? 400 HOH B O    1 
HETATM 2855 O  O    . HOH J 4 .  ? -6.67063  -11.23249 21.38696 1.000 42.11831 ? 401 HOH B O    1 
HETATM 2856 O  O    . HOH J 4 .  ? -16.42457 -11.80582 1.02246  1.000 43.17565 ? 402 HOH B O    1 
HETATM 2857 O  O    . HOH J 4 .  ? -0.36769  -9.96689  -1.58749 1.000 63.63173 ? 403 HOH B O    1 
HETATM 2858 O  O    . HOH J 4 .  ? -0.53042  -7.28214  15.21601 1.000 53.81531 ? 404 HOH B O    1 
HETATM 2859 O  O    . HOH J 4 .  ? -10.39716 -5.50004  -1.78690 1.000 28.83537 ? 405 HOH B O    1 
HETATM 2860 O  O    . HOH J 4 .  ? 0.75302   -5.03776  6.56025  1.000 27.11661 ? 406 HOH B O    1 
HETATM 2861 O  O    . HOH J 4 .  ? 4.26607   -24.61192 22.69294 1.000 44.10552 ? 407 HOH B O    1 
HETATM 2862 O  O    . HOH J 4 .  ? -5.59934  -26.77009 15.94527 1.000 41.44070 ? 408 HOH B O    1 
HETATM 2863 O  O    . HOH J 4 .  ? -17.63506 -7.87776  19.38346 1.000 53.82877 ? 409 HOH B O    1 
HETATM 2864 O  O    . HOH J 4 .  ? -10.52585 -8.07414  -3.25653 1.000 48.21704 ? 410 HOH B O    1 
HETATM 2865 O  O    . HOH J 4 .  ? 2.07475   -16.25754 25.21111 1.000 40.04623 ? 411 HOH B O    1 
HETATM 2866 O  O    . HOH J 4 .  ? 3.38659   -9.34122  13.84965 1.000 41.03775 ? 412 HOH B O    1 
HETATM 2867 O  O    . HOH J 4 .  ? 2.26885   -7.25742  -0.58186 1.000 50.97173 ? 413 HOH B O    1 
HETATM 2868 O  O    . HOH J 4 .  ? 5.22935   -13.56663 5.53994  1.000 54.26511 ? 414 HOH B O    1 
HETATM 2869 O  O    . HOH J 4 .  ? -15.99671 -2.55565  16.88547 1.000 43.46666 ? 415 HOH B O    1 
HETATM 2870 O  O    . HOH J 4 .  ? -10.70378 -1.68739  4.70993  1.000 61.43109 ? 416 HOH B O    1 
HETATM 2871 O  O    . HOH J 4 .  ? 0.55557   -21.16892 30.96841 1.000 58.09016 ? 417 HOH B O    1 
HETATM 2872 O  O    . HOH J 4 .  ? -4.04426  -25.72724 26.63159 1.000 58.51918 ? 418 HOH B O    1 
HETATM 2873 O  O    . HOH J 4 .  ? -9.09066  -23.67619 27.25072 1.000 19.51077 ? 419 HOH B O    1 
HETATM 2874 O  O    . HOH J 4 .  ? -5.76479  -28.28910 25.30693 1.000 39.07984 ? 420 HOH B O    1 
HETATM 2875 O  O    . HOH J 4 .  ? 4.92918   -22.85411 16.58498 1.000 39.46029 ? 421 HOH B O    1 
HETATM 2876 O  O    . HOH J 4 .  ? -21.10996 -9.75251  16.44057 1.000 40.59885 ? 422 HOH B O    1 
HETATM 2877 O  O    . HOH J 4 .  ? -23.05590 -13.20662 14.72049 1.000 66.24185 ? 423 HOH B O    1 
HETATM 2878 O  O    . HOH J 4 .  ? -0.00303  -7.20360  -1.86889 1.000 49.41725 ? 424 HOH B O    1 
HETATM 2879 O  O    . HOH J 4 .  ? -11.84397 -14.68011 22.51491 1.000 47.60662 ? 425 HOH B O    1 
HETATM 2880 O  O    . HOH J 4 .  ? -13.12870 -25.03426 8.25259  0.860 14.64472 ? 426 HOH B O    1 
HETATM 2881 O  O    . HOH J 4 .  ? -15.71342 -8.25640  21.78816 1.000 34.76151 ? 427 HOH B O    1 
HETATM 2882 O  O    . HOH J 4 .  ? -5.37844  -17.80790 28.07758 1.000 35.27250 ? 428 HOH B O    1 
HETATM 2883 O  O    . HOH J 4 .  ? -3.75883  -0.75177  15.96821 1.000 25.94616 ? 429 HOH B O    1 
HETATM 2884 O  O    . HOH J 4 .  ? -4.19146  -11.64884 19.39211 1.000 32.16958 ? 430 HOH B O    1 
HETATM 2885 O  O    . HOH J 4 .  ? -1.05862  -2.64305  1.50134  1.000 49.06860 ? 431 HOH B O    1 
HETATM 2886 O  O    . HOH J 4 .  ? -21.79596 -14.58327 9.22157  1.000 63.30514 ? 432 HOH B O    1 
HETATM 2887 O  O    . HOH J 4 .  ? -18.65474 -14.54545 3.03705  1.000 49.85317 ? 433 HOH B O    1 
HETATM 2888 O  O    . HOH J 4 .  ? 3.89567   -19.95784 6.26625  1.000 43.46934 ? 434 HOH B O    1 
HETATM 2889 O  O    . HOH J 4 .  ? -10.61453 -28.14673 25.73327 1.000 21.76358 ? 435 HOH B O    1 
HETATM 2890 O  O    . HOH J 4 .  ? 3.93028   -6.32365  11.01090 1.000 61.66486 ? 436 HOH B O    1 
HETATM 2891 O  O    . HOH J 4 .  ? 9.64278   -20.39120 23.29525 1.000 62.66494 ? 437 HOH B O    1 
HETATM 2892 O  O    . HOH J 4 .  ? -2.13517  -7.32434  18.34986 1.000 67.54703 ? 438 HOH B O    1 
HETATM 2893 O  O    . HOH J 4 .  ? -22.33360 -9.57858  8.02889  1.000 45.08051 ? 439 HOH B O    1 
HETATM 2894 O  O    . HOH J 4 .  ? -4.10338  -3.43012  -2.11624 1.000 55.03109 ? 440 HOH B O    1 
HETATM 2895 O  O    . HOH J 4 .  ? -6.14422  -10.00881 -2.56633 1.000 38.25297 ? 441 HOH B O    1 
HETATM 2896 O  O    . HOH J 4 .  ? -1.16256  -9.39887  16.79062 1.000 52.99717 ? 442 HOH B O    1 
HETATM 2897 O  O    . HOH J 4 .  ? -5.43736  -20.26949 28.68303 1.000 51.80036 ? 443 HOH B O    1 
HETATM 2898 O  O    . HOH J 4 .  ? -12.61643 -23.26056 10.27035 1.000 21.80571 ? 444 HOH B O    1 
HETATM 2899 O  O    . HOH J 4 .  ? -13.08539 -29.00916 19.45767 1.000 36.78865 ? 445 HOH B O    1 
HETATM 2900 O  O    . HOH J 4 .  ? 2.85963   -27.69670 27.08885 1.000 66.94596 ? 446 HOH B O    1 
HETATM 2901 O  O    . HOH J 4 .  ? 5.29074   -12.29914 2.78424  1.000 52.08955 ? 447 HOH B O    1 
HETATM 2902 O  O    . HOH J 4 .  ? 4.54046   -23.86908 26.45128 1.000 65.53831 ? 448 HOH B O    1 
HETATM 2903 O  O    . HOH J 4 .  ? -8.70462  -30.15170 25.37433 1.000 46.34447 ? 449 HOH B O    1 
HETATM 2904 O  O    . HOH J 4 .  ? -10.32440 -14.43945 25.81471 1.000 53.57965 ? 450 HOH B O    1 
HETATM 2905 O  O    . HOH J 4 .  ? 1.78124   -17.86464 17.05681 1.000 37.73723 ? 451 HOH B O    1 
HETATM 2906 O  O    . HOH J 4 .  ? -22.12233 -4.20782  13.51774 1.000 60.86144 ? 452 HOH B O    1 
HETATM 2907 O  O    . HOH J 4 .  ? -9.38733  -31.74625 23.48674 1.000 49.37789 ? 453 HOH B O    1 
HETATM 2908 O  O    . HOH J 4 .  ? -2.60419  -0.05777  9.29481  1.000 20.09834 ? 454 HOH B O    1 
HETATM 2909 O  O    . HOH J 4 .  ? -2.66323  1.03434   13.94183 1.000 38.28243 ? 455 HOH B O    1 
HETATM 2910 O  O    . HOH J 4 .  ? 2.62210   -17.96949 14.45949 1.000 51.85904 ? 456 HOH B O    1 
HETATM 2911 O  O    . HOH J 4 .  ? 0.09500   -26.22374 17.03092 1.000 83.58557 ? 457 HOH B O    1 
HETATM 2912 O  O    . HOH J 4 .  ? -7.16830  -15.63194 28.44918 1.000 30.67336 ? 458 HOH B O    1 
HETATM 2913 O  O    . HOH J 4 .  ? -14.60366 -23.97494 12.19255 0.918 29.49224 ? 459 HOH B O    1 
HETATM 2914 O  O    . HOH J 4 .  ? -24.53478 -9.66059  16.29358 1.000 47.45158 ? 460 HOH B O    1 
HETATM 2915 O  O    . HOH J 4 .  ? 3.18820   -21.08091 8.82375  1.000 45.14359 ? 461 HOH B O    1 
HETATM 2916 O  O    . HOH J 4 .  ? -0.63937  -13.27088 20.75534 1.000 39.36056 ? 462 HOH B O    1 
HETATM 2917 O  O    . HOH J 4 .  ? -14.12018 -26.54435 17.63772 1.000 34.93710 ? 463 HOH B O    1 
HETATM 2918 O  O    . HOH J 4 .  ? -19.62651 -12.42525 16.72452 1.000 42.59868 ? 464 HOH B O    1 
HETATM 2919 O  O    . HOH J 4 .  ? -15.65214 -12.13848 -5.95950 1.000 58.17271 ? 465 HOH B O    1 
HETATM 2920 O  O    . HOH J 4 .  ? 1.52288   -2.77399  -1.03105 1.000 72.58753 ? 466 HOH B O    1 
HETATM 2921 O  O    . HOH J 4 .  ? -10.09273 -17.11243 29.44607 1.000 27.35747 ? 467 HOH B O    1 
HETATM 2922 O  O    . HOH J 4 .  ? -9.18213  -25.31680 13.58792 1.000 26.53017 ? 468 HOH B O    1 
HETATM 2923 O  O    . HOH J 4 .  ? -1.09292  -14.09137 -2.86139 1.000 48.54940 ? 469 HOH B O    1 
HETATM 2924 O  O    . HOH J 4 .  ? -9.30340  -26.39063 27.26858 1.000 23.04064 ? 470 HOH B O    1 
HETATM 2925 O  O    . HOH J 4 .  ? -1.28664  -28.45568 19.74458 1.000 49.07527 ? 471 HOH B O    1 
HETATM 2926 O  O    . HOH J 4 .  ? -0.70042  -1.65230  9.03167  1.000 40.65250 ? 472 HOH B O    1 
HETATM 2927 O  O    . HOH J 4 .  ? 1.89592   -11.40258 14.93329 1.000 45.77690 ? 473 HOH B O    1 
HETATM 2928 O  O    . HOH J 4 .  ? -20.41895 -14.43057 15.06891 1.000 17.09114 ? 474 HOH B O    1 
HETATM 2929 O  O    . HOH J 4 .  ? -25.87847 -5.87327  10.52877 1.000 45.33014 ? 475 HOH B O    1 
HETATM 2930 O  O    . HOH J 4 .  ? -2.23732  -25.23135 11.33574 1.000 48.20961 ? 476 HOH B O    1 
HETATM 2931 O  O    . HOH J 4 .  ? -19.54018 -12.94652 1.90076  1.000 47.69673 ? 477 HOH B O    1 
HETATM 2932 O  O    . HOH J 4 .  ? -12.05336 -30.91275 22.51800 1.000 28.27641 ? 478 HOH B O    1 
HETATM 2933 O  O    . HOH J 4 .  ? -10.52212 -24.70970 15.99821 1.000 24.75031 ? 479 HOH B O    1 
HETATM 2934 O  O    . HOH J 4 .  ? 1.71875   -22.48004 9.92067  1.000 46.09983 ? 480 HOH B O    1 
HETATM 2935 O  O    . HOH J 4 .  ? -17.59819 -6.12508  21.55076 1.000 45.99787 ? 481 HOH B O    1 
HETATM 2936 O  O    . HOH J 4 .  ? -15.99461 -9.22009  -5.24758 1.000 61.14645 ? 482 HOH B O    1 
HETATM 2937 O  O    . HOH J 4 .  ? -12.98340 -22.99006 29.41266 1.000 21.93728 ? 483 HOH B O    1 
HETATM 2938 O  O    . HOH J 4 .  ? -8.78324  -17.55010 -5.42868 1.000 34.36758 ? 484 HOH B O    1 
HETATM 2939 O  O    . HOH J 4 .  ? -0.80159  -16.43942 0.42443  1.000 31.47750 ? 485 HOH B O    1 
HETATM 2940 O  O    . HOH J 4 .  ? -21.59971 -15.55779 17.30325 1.000 12.08051 ? 486 HOH B O    1 
HETATM 2941 O  O    . HOH J 4 .  ? -10.47058 5.70727   14.25651 1.000 51.70114 ? 487 HOH B O    1 
HETATM 2942 O  O    . HOH J 4 .  ? 1.39081   -16.73619 12.36394 1.000 50.26811 ? 488 HOH B O    1 
HETATM 2943 O  O    . HOH J 4 .  ? -20.53495 -4.49082  16.08800 1.000 62.38459 ? 489 HOH B O    1 
HETATM 2944 O  O    . HOH J 4 .  ? -1.42066  -3.74216  -4.30339 1.000 51.22068 ? 490 HOH B O    1 
HETATM 2945 O  O    . HOH J 4 .  ? -22.15016 -16.63224 12.27337 1.000 22.30286 ? 491 HOH B O    1 
HETATM 2946 O  O    . HOH J 4 .  ? -0.05666  -11.05840 18.30443 1.000 34.53861 ? 492 HOH B O    1 
HETATM 2947 O  O    . HOH J 4 .  ? -17.69531 -9.71181  -1.70689 1.000 38.97903 ? 493 HOH B O    1 
HETATM 2948 O  O    . HOH J 4 .  ? -18.28374 -3.14716  20.60416 1.000 56.34358 ? 494 HOH B O    1 
HETATM 2949 O  O    . HOH J 4 .  ? -3.42590  -28.45615 17.65821 1.000 48.32050 ? 495 HOH B O    1 
HETATM 2950 O  O    . HOH J 4 .  ? -12.22816 -21.41494 -1.97678 1.000 18.29258 ? 496 HOH B O    1 
HETATM 2951 O  O    . HOH J 4 .  ? -7.84290  -0.35744  3.86259  1.000 50.26251 ? 497 HOH B O    1 
HETATM 2952 O  O    . HOH J 4 .  ? -15.31986 -17.95272 -3.07907 1.000 62.37379 ? 498 HOH B O    1 
HETATM 2953 O  O    . HOH J 4 .  ? -6.73971  -26.51050 27.60536 1.000 48.82278 ? 499 HOH B O    1 
HETATM 2954 O  O    . HOH J 4 .  ? -11.93704 -19.35628 -5.29146 1.000 40.58469 ? 500 HOH B O    1 
HETATM 2955 O  O    . HOH J 4 .  ? -7.19158  6.70530   13.93508 1.000 52.83460 ? 501 HOH B O    1 
HETATM 2956 O  O    . HOH J 4 .  ? -12.44647 -5.14091  -5.24700 1.000 63.71465 ? 502 HOH B O    1 
HETATM 2957 O  O    . HOH J 4 .  ? -6.99939  -16.27914 -7.75480 1.000 65.00854 ? 503 HOH B O    1 
HETATM 2958 O  O    . HOH J 4 .  ? -0.30718  -1.22133  -3.10635 1.000 66.99327 ? 504 HOH B O    1 
HETATM 2959 O  O    . HOH J 4 .  ? -5.14158  -0.28482  1.48929  1.000 55.61366 ? 505 HOH B O    1 
HETATM 2960 O  O    . HOH J 4 .  ? -20.28042 -9.66566  -4.81088 1.000 48.38584 ? 506 HOH B O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N    . GLU A 1  ? 0.75005 0.64291 0.57164 0.01592  -0.06956 -0.02931 21  GLU A N    
2    C  CA   . GLU A 1  ? 0.75024 0.64593 0.56632 0.02024  -0.07337 -0.03427 21  GLU A CA   
3    C  C    . GLU A 1  ? 0.75352 0.65565 0.55402 0.02968  -0.08386 -0.04835 21  GLU A C    
4    O  O    . GLU A 1  ? 0.75607 0.65852 0.56139 0.03102  -0.08859 -0.04517 21  GLU A O    
5    C  CB   . GLU A 1  ? 0.74882 0.64167 0.56951 0.01886  -0.06840 -0.03005 21  GLU A CB   
6    H  HA   . GLU A 1  ? 0.78513 0.78513 0.78513 -0.00000 0.00000  0.00000  21  GLU A HA   
7    N  N    . SER A 2  ? 0.75121 0.66318 0.52740 0.03708  -0.08808 -0.06759 22  SER A N    
8    C  CA   . SER A 2  ? 0.74453 0.67140 0.49691 0.04334  -0.09065 -0.08688 22  SER A CA   
9    C  C    . SER A 2  ? 0.71287 0.68682 0.47553 0.04805  -0.07930 -0.09072 22  SER A C    
10   O  O    . SER A 2  ? 0.71597 0.68606 0.47729 0.04761  -0.07700 -0.09740 22  SER A O    
11   C  CB   . SER A 2  ? 0.76454 0.66520 0.48841 0.04303  -0.10238 -0.09951 22  SER A CB   
12   O  OG   . SER A 2  ? 0.77523 0.66170 0.48224 0.04200  -0.10845 -0.10654 22  SER A OG   
13   H  H    . SER A 2  ? 0.77685 0.77685 0.77685 -0.00000 -0.00000 -0.00000 22  SER A H    
14   H  HA   . SER A 2  ? 0.76527 0.76527 0.76527 0.00000  0.00000  0.00000  22  SER A HA   
15   H  HB2  . SER A 2  ? 0.76739 0.76739 0.76739 -0.00000 -0.00000 0.00000  22  SER A HB2  
16   H  HB3  . SER A 2  ? 0.76739 0.76739 0.76739 -0.00000 -0.00000 0.00000  22  SER A HB3  
17   H  HG   . SER A 2  ? 0.76780 0.76780 0.76780 -0.00000 0.00000  0.00000  22  SER A HG   
18   N  N    . THR A 3  ? 0.67508 0.70325 0.45108 0.05085  -0.07105 -0.08484 23  THR A N    
19   C  CA   . THR A 3  ? 0.63678 0.71847 0.42723 0.04938  -0.06540 -0.07663 23  THR A CA   
20   C  C    . THR A 3  ? 0.60606 0.70847 0.39201 0.03729  -0.05566 -0.07189 23  THR A C    
21   O  O    . THR A 3  ? 0.59828 0.71242 0.38941 0.04746  -0.06437 -0.07047 23  THR A O    
22   C  CB   . THR A 3  ? 0.63184 0.73955 0.43637 0.05555  -0.06763 -0.07256 23  THR A CB   
23   O  OG1  . THR A 3  ? 0.62984 0.74712 0.44056 0.05756  -0.06668 -0.07004 23  THR A OG1  
24   C  CG2  . THR A 3  ? 0.62972 0.74679 0.43925 0.05774  -0.07090 -0.07201 23  THR A CG2  
25   H  H    . THR A 3  ? 0.73190 0.73190 0.73190 0.00000  0.00000  0.00000  23  THR A H    
26   H  HA   . THR A 3  ? 0.71313 0.71313 0.71313 0.00000  -0.00000 0.00000  23  THR A HA   
27   N  N    . GLU A 4  ? 0.58594 0.68868 0.35817 0.00903  -0.03116 -0.06922 24  GLU A N    
28   C  CA   A GLU A 4  ? 0.58111 0.67666 0.34534 -0.00275 -0.01777 -0.07112 24  GLU A CA   
29   C  CA   B GLU A 4  ? 0.57121 0.67560 0.34089 -0.00672 -0.01740 -0.06517 24  GLU A CA   
30   C  C    . GLU A 4  ? 0.55482 0.65179 0.32719 -0.00943 0.00113  -0.08111 24  GLU A C    
31   O  O    . GLU A 4  ? 0.56345 0.66445 0.32834 -0.01664 0.00510  -0.08200 24  GLU A O    
32   C  CB   A GLU A 4  ? 0.59914 0.68265 0.34956 -0.00637 -0.02329 -0.06607 24  GLU A CB   
33   C  CB   B GLU A 4  ? 0.57008 0.67932 0.33625 -0.01787 -0.02218 -0.04817 24  GLU A CB   
34   C  CG   A GLU A 4  ? 0.61392 0.68450 0.35383 -0.00752 -0.02771 -0.06202 24  GLU A CG   
35   C  CG   B GLU A 4  ? 0.56745 0.67904 0.33189 -0.02579 -0.02654 -0.03378 24  GLU A CG   
36   C  CD   A GLU A 4  ? 0.62460 0.68398 0.35689 -0.00709 -0.03050 -0.06073 24  GLU A CD   
37   C  CD   B GLU A 4  ? 0.56433 0.67659 0.32795 -0.03160 -0.02951 -0.02304 24  GLU A CD   
38   O  OE1  A GLU A 4  ? 0.62886 0.68355 0.35868 -0.00572 -0.03275 -0.06045 24  GLU A OE1  
39   O  OE1  B GLU A 4  ? 0.56368 0.67563 0.32694 -0.03417 -0.03018 -0.01975 24  GLU A OE1  
40   O  OE2  A GLU A 4  ? 0.62776 0.68409 0.35698 -0.00776 -0.03022 -0.06109 24  GLU A OE2  
41   O  OE2  B GLU A 4  ? 0.56281 0.67507 0.32558 -0.03238 -0.03217 -0.01925 24  GLU A OE2  
42   H  H    . GLU A 4  ? 0.65325 0.65325 0.65325 0.00000  0.00000  -0.00000 24  GLU A H    
43   H  HA   . GLU A 4  ? 0.63522 0.63522 0.63522 0.00000  0.00000  0.00000  24  GLU A HA   
44   N  N    . ALA A 5  ? 0.50010 0.58198 0.29406 -0.00815 0.03637  -0.10611 25  ALA A N    
45   C  CA   . ALA A 5  ? 0.44357 0.50470 0.25957 -0.00694 0.06168  -0.12792 25  ALA A CA   
46   C  C    . ALA A 5  ? 0.38099 0.41653 0.20535 -0.01531 0.06665  -0.13867 25  ALA A C    
47   O  O    . ALA A 5  ? 0.37819 0.42194 0.19912 -0.03074 0.07354  -0.12706 25  ALA A O    
48   C  CB   . ALA A 5  ? 0.44864 0.51189 0.27776 -0.00180 0.07083  -0.12772 25  ALA A CB   
49   H  H    . ALA A 5  ? 0.55059 0.55059 0.55059 -0.00000 -0.00000 -0.00000 25  ALA A H    
50   H  HA   . ALA A 5  ? 0.48327 0.48327 0.48327 0.00000  0.00000  0.00000  25  ALA A HA   
51   H  HB1  . ALA A 5  ? 0.49545 0.49545 0.49545 0.00000  0.00000  -0.00000 25  ALA A HB1  
52   H  HB2  . ALA A 5  ? 0.49545 0.49545 0.49545 0.00000  0.00000  -0.00000 25  ALA A HB2  
53   H  HB3  . ALA A 5  ? 0.49545 0.49545 0.49545 0.00000  0.00000  -0.00000 25  ALA A HB3  
54   N  N    . PRO A 6  ? 0.33048 0.33439 0.18417 -0.01825 0.04140  -0.12989 26  PRO A N    
55   C  CA   . PRO A 6  ? 0.28748 0.26694 0.17105 -0.00810 0.02942  -0.09997 26  PRO A CA   
56   C  C    . PRO A 6  ? 0.22137 0.15707 0.14015 0.00750  0.02383  -0.05761 26  PRO A C    
57   O  O    . PRO A 6  ? 0.20964 0.12675 0.15399 0.01470  0.01330  -0.03620 26  PRO A O    
58   C  CB   . PRO A 6  ? 0.31584 0.32429 0.20281 -0.02360 0.01931  -0.09301 26  PRO A CB   
59   C  CG   . PRO A 6  ? 0.33503 0.34926 0.21533 -0.03727 0.02325  -0.10512 26  PRO A CG   
60   C  CD   . PRO A 6  ? 0.33855 0.34395 0.20521 -0.03469 0.03190  -0.12628 26  PRO A CD   
61   H  HA   . PRO A 6  ? 0.29032 0.29032 0.29032 -0.00000 0.00000  0.00000  26  PRO A HA   
62   H  HB2  . PRO A 6  ? 0.33731 0.33731 0.33731 0.00000  -0.00000 -0.00000 26  PRO A HB2  
63   H  HB3  . PRO A 6  ? 0.33731 0.33731 0.33731 0.00000  -0.00000 -0.00000 26  PRO A HB3  
64   H  HG2  . PRO A 6  ? 0.35998 0.35998 0.35998 0.00000  0.00000  0.00000  26  PRO A HG2  
65   H  HG3  . PRO A 6  ? 0.35998 0.35998 0.35998 0.00000  0.00000  0.00000  26  PRO A HG3  
66   H  HD2  . PRO A 6  ? 0.35522 0.35522 0.35522 0.00000  0.00000  0.00000  26  PRO A HD2  
67   H  HD3  . PRO A 6  ? 0.35522 0.35522 0.35522 0.00000  0.00000  0.00000  26  PRO A HD3  
68   N  N    . TRP A 7  ? 0.18160 0.12445 0.13355 0.01267  0.02628  -0.03203 27  TRP A N    
69   C  CA   . TRP A 7  ? 0.14804 0.10304 0.12279 0.01062  0.01542  -0.01992 27  TRP A CA   
70   C  C    . TRP A 7  ? 0.14654 0.09796 0.11563 0.01044  0.00330  -0.01777 27  TRP A C    
71   O  O    . TRP A 7  ? 0.15667 0.12951 0.10542 0.01263  0.01257  -0.02134 27  TRP A O    
72   C  CB   . TRP A 7  ? 0.13591 0.10240 0.13329 0.01058  0.01747  -0.01246 27  TRP A CB   
73   C  CG   . TRP A 7  ? 0.15049 0.09909 0.15385 0.01429  0.02487  -0.01298 27  TRP A CG   
74   C  CD1  . TRP A 7  ? 0.15277 0.12633 0.16749 0.01819  0.02441  -0.02663 27  TRP A CD1  
75   C  CD2  . TRP A 7  ? 0.14143 0.09582 0.16859 0.00932  0.01558  0.00315  27  TRP A CD2  
76   N  NE1  . TRP A 7  ? 0.15157 0.14010 0.18265 0.03153  0.02617  -0.02181 27  TRP A NE1  
77   C  CE2  . TRP A 7  ? 0.14745 0.11093 0.18110 0.02608  0.01820  -0.00582 27  TRP A CE2  
78   C  CE3  . TRP A 7  ? 0.14736 0.10886 0.15671 0.00842  0.00747  0.00511  27  TRP A CE3  
79   C  CZ2  . TRP A 7  ? 0.15052 0.12050 0.19460 0.02912  0.01026  0.00703  27  TRP A CZ2  
80   C  CZ3  . TRP A 7  ? 0.15918 0.12457 0.17153 0.00365  0.00287  0.00343  27  TRP A CZ3  
81   C  CH2  . TRP A 7  ? 0.16234 0.12458 0.18823 0.01839  -0.00455 0.00916  27  TRP A CH2  
82   H  H    . TRP A 7  ? 0.17597 0.17597 0.17597 0.00000  0.00000  0.00000  27  TRP A H    
83   H  HA   . TRP A 7  ? 0.14968 0.14968 0.14968 -0.00000 -0.00000 0.00000  27  TRP A HA   
84   H  HB2  . TRP A 7  ? 0.14877 0.14877 0.14877 0.00000  -0.00000 -0.00000 27  TRP A HB2  
85   H  HB3  . TRP A 7  ? 0.14877 0.14877 0.14877 0.00000  -0.00000 -0.00000 27  TRP A HB3  
86   H  HD1  . TRP A 7  ? 0.17877 0.17877 0.17877 0.00000  0.00000  0.00000  27  TRP A HD1  
87   H  HE1  . TRP A 7  ? 0.18986 0.18986 0.18986 0.00000  -0.00000 0.00000  27  TRP A HE1  
88   H  HE3  . TRP A 7  ? 0.16531 0.16531 0.16531 0.00000  0.00000  0.00000  27  TRP A HE3  
89   H  HZ2  . TRP A 7  ? 0.18638 0.18638 0.18638 0.00000  -0.00000 0.00000  27  TRP A HZ2  
90   H  HZ3  . TRP A 7  ? 0.18224 0.18224 0.18224 0.00000  0.00000  -0.00000 27  TRP A HZ3  
91   H  HH2  . TRP A 7  ? 0.19019 0.19019 0.19019 0.00000  -0.00000 0.00000  27  TRP A HH2  
92   N  N    . VAL A 8  ? 0.13942 0.08925 0.11483 0.00987  0.01129  -0.02535 28  VAL A N    
93   C  CA   . VAL A 8  ? 0.13382 0.08151 0.12145 0.00221  0.01516  -0.02136 28  VAL A CA   
94   C  C    . VAL A 8  ? 0.13138 0.07299 0.11035 0.01148  0.00319  -0.01325 28  VAL A C    
95   O  O    . VAL A 8  ? 0.13422 0.09265 0.12806 0.01947  -0.00090 -0.01974 28  VAL A O    
96   C  CB   . VAL A 8  ? 0.14866 0.09143 0.15319 -0.01047 0.02634  -0.03086 28  VAL A CB   
97   C  CG1  . VAL A 8  ? 0.17168 0.11517 0.17216 -0.02057 0.01898  -0.04342 28  VAL A CG1  
98   C  CG2  . VAL A 8  ? 0.16546 0.09291 0.17295 0.00060  0.03000  -0.00328 28  VAL A CG2  
99   H  H    . VAL A 8  ? 0.13753 0.13753 0.13753 -0.00000 0.00000  0.00000  28  VAL A H    
100  H  HA   . VAL A 8  ? 0.13484 0.13484 0.13484 -0.00000 0.00000  0.00000  28  VAL A HA   
101  H  HB   . VAL A 8  ? 0.15744 0.15744 0.15744 0.00000  -0.00000 -0.00000 28  VAL A HB   
102  H  HG11 . VAL A 8  ? 0.18374 0.18374 0.18374 0.00000  0.00000  0.00000  28  VAL A HG11 
103  H  HG12 . VAL A 8  ? 0.18374 0.18374 0.18374 0.00000  0.00000  0.00000  28  VAL A HG12 
104  H  HG13 . VAL A 8  ? 0.18374 0.18374 0.18374 0.00000  0.00000  0.00000  28  VAL A HG13 
105  H  HG21 . VAL A 8  ? 0.17266 0.17266 0.17266 0.00000  -0.00000 -0.00000 28  VAL A HG21 
106  H  HG22 . VAL A 8  ? 0.17266 0.17266 0.17266 0.00000  -0.00000 -0.00000 28  VAL A HG22 
107  H  HG23 . VAL A 8  ? 0.17266 0.17266 0.17266 0.00000  -0.00000 -0.00000 28  VAL A HG23 
108  N  N    . THR A 9  ? 0.12415 0.07166 0.09763 0.00655  0.00531  -0.00975 29  THR A N    
109  C  CA   . THR A 9  ? 0.11730 0.06867 0.08950 -0.00482 0.00525  -0.00547 29  THR A CA   
110  C  C    . THR A 9  ? 0.10999 0.06191 0.09946 0.00339  0.00387  -0.01047 29  THR A C    
111  O  O    . THR A 9  ? 0.11992 0.07676 0.09559 0.00392  0.00211  0.00038  29  THR A O    
112  C  CB   . THR A 9  ? 0.13094 0.06995 0.08970 -0.00062 0.01231  -0.00692 29  THR A CB   
113  O  OG1  . THR A 9  ? 0.16379 0.07441 0.09635 -0.00756 0.01822  -0.00333 29  THR A OG1  
114  C  CG2  . THR A 9  ? 0.13559 0.06422 0.10330 -0.00010 0.00572  -0.00578 29  THR A CG2  
115  H  H    . THR A 9  ? 0.11751 0.11751 0.11751 -0.00000 -0.00000 0.00000  29  THR A H    
116  H  HA   . THR A 9  ? 0.11032 0.11032 0.11032 -0.00000 -0.00000 0.00000  29  THR A HA   
117  H  HB   . THR A 9  ? 0.11636 0.11636 0.11636 -0.00000 0.00000  0.00000  29  THR A HB   
118  H  HG1  . THR A 9  ? 0.13395 0.13395 0.13395 -0.00000 -0.00000 0.00000  29  THR A HG1  
119  H  HG21 . THR A 9  ? 0.12137 0.12137 0.12137 0.00000  0.00000  -0.00000 29  THR A HG21 
120  H  HG22 . THR A 9  ? 0.12137 0.12137 0.12137 0.00000  0.00000  -0.00000 29  THR A HG22 
121  H  HG23 . THR A 9  ? 0.12137 0.12137 0.12137 0.00000  0.00000  -0.00000 29  THR A HG23 
122  N  N    . ILE A 10 ? 0.11430 0.06830 0.09574 0.00144  -0.00599 0.00033  30  ILE A N    
123  C  CA   . ILE A 10 ? 0.11904 0.06661 0.09897 -0.00541 -0.00377 -0.00040 30  ILE A CA   
124  C  C    . ILE A 10 ? 0.11050 0.06733 0.09393 -0.00548 -0.00885 0.00640  30  ILE A C    
125  O  O    . ILE A 10 ? 0.11958 0.09195 0.10555 -0.01083 -0.00114 -0.01090 30  ILE A O    
126  C  CB   . ILE A 10 ? 0.14204 0.07379 0.12739 0.00914  0.00019  0.00330  30  ILE A CB   
127  C  CG1  . ILE A 10 ? 0.20350 0.08680 0.16469 0.01793  0.01253  0.00700  30  ILE A CG1  
128  C  CG2  . ILE A 10 ? 0.14060 0.07891 0.12973 0.00398  -0.00520 0.02257  30  ILE A CG2  
129  C  CD1  . ILE A 10 ? 0.23306 0.11347 0.19897 0.03380  0.00752  -0.00481 30  ILE A CD1  
130  H  H    . ILE A 10 ? 0.11147 0.11147 0.11147 0.00000  0.00000  0.00000  30  ILE A H    
131  H  HA   . ILE A 10 ? 0.11398 0.11398 0.11398 -0.00000 0.00000  0.00000  30  ILE A HA   
132  H  HB   . ILE A 10 ? 0.13742 0.13742 0.13742 -0.00000 -0.00000 0.00000  30  ILE A HB   
133  H  HG12 . ILE A 10 ? 0.18213 0.18213 0.18213 -0.00000 -0.00000 -0.00000 30  ILE A HG12 
134  H  HG13 . ILE A 10 ? 0.18213 0.18213 0.18213 -0.00000 -0.00000 -0.00000 30  ILE A HG13 
135  H  HG21 . ILE A 10 ? 0.13983 0.13983 0.13983 -0.00000 -0.00000 0.00000  30  ILE A HG21 
136  H  HG22 . ILE A 10 ? 0.13983 0.13983 0.13983 -0.00000 -0.00000 0.00000  30  ILE A HG22 
137  H  HG23 . ILE A 10 ? 0.13983 0.13983 0.13983 -0.00000 -0.00000 0.00000  30  ILE A HG23 
138  H  HD11 . ILE A 10 ? 0.21833 0.21833 0.21833 -0.00000 -0.00000 0.00000  30  ILE A HD11 
139  H  HD12 . ILE A 10 ? 0.21833 0.21833 0.21833 -0.00000 -0.00000 0.00000  30  ILE A HD12 
140  H  HD13 . ILE A 10 ? 0.21833 0.21833 0.21833 -0.00000 -0.00000 0.00000  30  ILE A HD13 
141  N  N    . VAL A 11 ? 0.11303 0.06519 0.08950 -0.00295 -0.01295 0.00423  31  VAL A N    
142  C  CA   . VAL A 11 ? 0.12178 0.06997 0.08405 -0.00595 -0.00797 0.00449  31  VAL A CA   
143  C  C    . VAL A 11 ? 0.12578 0.07456 0.09443 -0.00169 -0.00528 0.00663  31  VAL A C    
144  O  O    . VAL A 11 ? 0.13503 0.07429 0.10219 -0.01399 -0.00962 0.01375  31  VAL A O    
145  C  CB   . VAL A 11 ? 0.12226 0.07408 0.08632 0.00649  -0.00213 0.01128  31  VAL A CB   
146  C  CG1  . VAL A 11 ? 0.13510 0.09025 0.09476 0.01166  0.00836  0.01077  31  VAL A CG1  
147  C  CG2  . VAL A 11 ? 0.13419 0.07170 0.10138 0.00524  0.00359  0.00992  31  VAL A CG2  
148  H  H    . VAL A 11 ? 0.10722 0.10722 0.10722 0.00000  0.00000  0.00000  31  VAL A H    
149  H  HA   . VAL A 11 ? 0.11045 0.11045 0.11045 -0.00000 0.00000  0.00000  31  VAL A HA   
150  H  HB   . VAL A 11 ? 0.11320 0.11320 0.11320 -0.00000 0.00000  0.00000  31  VAL A HB   
151  H  HG11 . VAL A 11 ? 0.12817 0.12817 0.12817 -0.00000 0.00000  -0.00000 31  VAL A HG11 
152  H  HG12 . VAL A 11 ? 0.12817 0.12817 0.12817 -0.00000 0.00000  -0.00000 31  VAL A HG12 
153  H  HG13 . VAL A 11 ? 0.12817 0.12817 0.12817 -0.00000 0.00000  -0.00000 31  VAL A HG13 
154  H  HG21 . VAL A 11 ? 0.12304 0.12304 0.12304 -0.00000 -0.00000 -0.00000 31  VAL A HG21 
155  H  HG22 . VAL A 11 ? 0.12304 0.12304 0.12304 -0.00000 -0.00000 -0.00000 31  VAL A HG22 
156  H  HG23 . VAL A 11 ? 0.12304 0.12304 0.12304 -0.00000 -0.00000 -0.00000 31  VAL A HG23 
157  N  N    . TRP A 12 ? 0.14163 0.08599 0.09672 -0.01651 -0.01758 0.01788  32  TRP A N    
158  C  CA   . TRP A 12 ? 0.14882 0.09377 0.10070 -0.01460 -0.01387 0.02722  32  TRP A CA   
159  C  C    . TRP A 12 ? 0.15722 0.08837 0.09627 -0.00747 -0.01175 0.02554  32  TRP A C    
160  O  O    . TRP A 12 ? 0.18899 0.09834 0.10540 -0.00859 -0.00102 0.01971  32  TRP A O    
161  C  CB   . TRP A 12 ? 0.15150 0.10815 0.09984 -0.00518 -0.02065 0.02625  32  TRP A CB   
162  C  CG   . TRP A 12 ? 0.13599 0.12315 0.11565 -0.00583 -0.02237 0.03196  32  TRP A CG   
163  C  CD1  . TRP A 12 ? 0.14699 0.13998 0.11809 0.00029  -0.01683 0.03332  32  TRP A CD1  
164  C  CD2  . TRP A 12 ? 0.13423 0.13376 0.13214 0.00472  -0.02426 0.02878  32  TRP A CD2  
165  N  NE1  . TRP A 12 ? 0.13811 0.15806 0.12933 0.00365  -0.01121 0.02176  32  TRP A NE1  
166  C  CE2  . TRP A 12 ? 0.14064 0.15149 0.13877 0.01869  -0.02005 0.01353  32  TRP A CE2  
167  C  CE3  . TRP A 12 ? 0.14495 0.13789 0.16736 -0.00008 -0.02784 0.02128  32  TRP A CE3  
168  C  CZ2  . TRP A 12 ? 0.16003 0.16625 0.17556 0.03198  -0.01620 0.00696  32  TRP A CZ2  
169  C  CZ3  . TRP A 12 ? 0.16861 0.14378 0.19231 0.00844  -0.02042 0.02251  32  TRP A CZ3  
170  C  CH2  . TRP A 12 ? 0.17157 0.15581 0.19769 0.03204  -0.01993 0.01328  32  TRP A CH2  
171  H  H    . TRP A 12 ? 0.12987 0.12987 0.12987 -0.00000 0.00000  0.00000  32  TRP A H    
172  H  HA   . TRP A 12 ? 0.13745 0.13745 0.13745 -0.00000 0.00000  0.00000  32  TRP A HA   
173  H  HB2  . TRP A 12 ? 0.14393 0.14393 0.14393 -0.00000 -0.00000 -0.00000 32  TRP A HB2  
174  H  HB3  . TRP A 12 ? 0.14393 0.14393 0.14393 -0.00000 -0.00000 -0.00000 32  TRP A HB3  
175  H  HD1  . TRP A 12 ? 0.16216 0.16216 0.16216 0.00000  0.00000  0.00000  32  TRP A HD1  
176  H  HE1  . TRP A 12 ? 0.17033 0.17033 0.17033 0.00000  -0.00000 -0.00000 32  TRP A HE1  
177  H  HE3  . TRP A 12 ? 0.18021 0.18021 0.18021 0.00000  -0.00000 -0.00000 32  TRP A HE3  
178  H  HZ2  . TRP A 12 ? 0.20087 0.20087 0.20087 -0.00000 -0.00000 0.00000  32  TRP A HZ2  
179  H  HZ3  . TRP A 12 ? 0.20201 0.20201 0.20201 0.00000  -0.00000 -0.00000 32  TRP A HZ3  
180  H  HH2  . TRP A 12 ? 0.21016 0.21016 0.21016 0.00000  0.00000  0.00000  32  TRP A HH2  
181  N  N    . ASP A 13 ? 0.15355 0.10511 0.11230 -0.00157 -0.00608 0.03085  33  ASP A N    
182  C  CA   . ASP A 13 ? 0.14836 0.11321 0.11152 0.00963  -0.00033 0.03703  33  ASP A CA   
183  C  C    . ASP A 13 ? 0.14780 0.12270 0.11298 0.01095  -0.00301 0.02741  33  ASP A C    
184  O  O    . ASP A 13 ? 0.16556 0.15008 0.13617 0.03546  -0.02160 -0.00011 33  ASP A O    
185  C  CB   . ASP A 13 ? 0.15877 0.12536 0.13656 -0.00797 0.00351  0.04350  33  ASP A CB   
186  C  CG   . ASP A 13 ? 0.16420 0.14638 0.16238 -0.01020 0.01455  0.04540  33  ASP A CG   
187  O  OD1  . ASP A 13 ? 0.16120 0.16076 0.18980 0.00276  0.02214  0.02654  33  ASP A OD1  
188  O  OD2  . ASP A 13 ? 0.19018 0.17620 0.18007 0.00261  0.02237  0.05109  33  ASP A OD2  
189  H  H    . ASP A 13 ? 0.14851 0.14851 0.14851 -0.00000 0.00000  -0.00000 33  ASP A H    
190  H  HA   . ASP A 13 ? 0.14937 0.14937 0.14937 -0.00000 0.00000  -0.00000 33  ASP A HA   
191  H  HB2  . ASP A 13 ? 0.16841 0.16841 0.16841 -0.00000 -0.00000 0.00000  33  ASP A HB2  
192  H  HB3  . ASP A 13 ? 0.16841 0.16841 0.16841 -0.00000 -0.00000 0.00000  33  ASP A HB3  
193  N  N    . ASP A 14 ? 0.14758 0.14093 0.12513 0.02645  -0.01453 0.01361  34  ASP A N    
194  C  CA   . ASP A 14 ? 0.15218 0.16179 0.12022 0.04184  0.00437  0.01064  34  ASP A CA   
195  C  C    . ASP A 14 ? 0.16242 0.19332 0.12808 0.05672  0.00830  0.01540  34  ASP A C    
196  O  O    . ASP A 14 ? 0.15729 0.19350 0.14259 0.02835  0.00569  0.01878  34  ASP A O    
197  C  CB   . ASP A 14 ? 0.15909 0.16891 0.12911 0.03461  0.01574  -0.00418 34  ASP A CB   
198  C  CG   . ASP A 14 ? 0.17455 0.16794 0.15490 0.03236  0.03034  -0.00160 34  ASP A CG   
199  O  OD1  . ASP A 14 ? 0.19975 0.17665 0.17449 0.04138  0.04143  -0.00115 34  ASP A OD1  
200  O  OD2  . ASP A 14 ? 0.17966 0.16755 0.17406 0.03181  0.02534  -0.00185 34  ASP A OD2  
201  H  H    . ASP A 14 ? 0.16559 0.16559 0.16559 -0.00000 -0.00000 0.00000  34  ASP A H    
202  H  HA   . ASP A 14 ? 0.17381 0.17381 0.17381 0.00000  -0.00000 -0.00000 34  ASP A HA   
203  H  HB2  . ASP A 14 ? 0.18297 0.18297 0.18297 0.00000  0.00000  0.00000  34  ASP A HB2  
204  H  HB3  . ASP A 14 ? 0.18297 0.18297 0.18297 0.00000  0.00000  0.00000  34  ASP A HB3  
205  N  N    . PRO A 15 ? 0.18901 0.25841 0.12697 0.08845  0.00712  0.01585  35  PRO A N    
206  C  CA   . PRO A 15 ? 0.22096 0.29312 0.13080 0.10719  0.01743  0.02082  35  PRO A CA   
207  C  C    . PRO A 15 ? 0.25645 0.30782 0.14850 0.13213  0.01923  0.00013  35  PRO A C    
208  O  O    . PRO A 15 ? 0.28664 0.33307 0.18077 0.12638  0.05271  0.01365  35  PRO A O    
209  C  CB   . PRO A 15 ? 0.22363 0.31310 0.14250 0.10233  0.00842  0.02604  35  PRO A CB   
210  C  CG   . PRO A 15 ? 0.21196 0.31605 0.15082 0.10070  -0.00876 0.01881  35  PRO A CG   
211  C  CD   . PRO A 15 ? 0.19479 0.29639 0.14137 0.09343  -0.00417 0.01770  35  PRO A CD   
212  H  HA   . PRO A 15 ? 0.25808 0.25808 0.25808 -0.00000 0.00000  -0.00000 35  PRO A HA   
213  H  HB2  . PRO A 15 ? 0.27182 0.27182 0.27182 -0.00000 -0.00000 -0.00000 35  PRO A HB2  
214  H  HB3  . PRO A 15 ? 0.27182 0.27182 0.27182 -0.00000 -0.00000 -0.00000 35  PRO A HB3  
215  H  HG2  . PRO A 15 ? 0.27167 0.27167 0.27167 -0.00000 0.00000  -0.00000 35  PRO A HG2  
216  H  HG3  . PRO A 15 ? 0.27167 0.27167 0.27167 -0.00000 0.00000  -0.00000 35  PRO A HG3  
217  H  HD2  . PRO A 15 ? 0.25315 0.25315 0.25315 0.00000  -0.00000 -0.00000 35  PRO A HD2  
218  H  HD3  . PRO A 15 ? 0.25315 0.25315 0.25315 0.00000  -0.00000 -0.00000 35  PRO A HD3  
219  N  N    . VAL A 16 ? 0.26145 0.30094 0.14880 0.13701  -0.01160 -0.03704 36  VAL A N    
220  C  CA   . VAL A 16 ? 0.27921 0.29764 0.17639 0.13121  -0.02629 -0.05184 36  VAL A CA   
221  C  C    . VAL A 16 ? 0.25882 0.26892 0.15457 0.12001  -0.01577 -0.04794 36  VAL A C    
222  O  O    . VAL A 16 ? 0.28046 0.28181 0.17027 0.13314  0.00422  -0.04469 36  VAL A O    
223  C  CB   . VAL A 16 ? 0.31839 0.32187 0.22470 0.12247  -0.04873 -0.06459 36  VAL A CB   
224  C  CG1  . VAL A 16 ? 0.33691 0.32728 0.24867 0.11573  -0.05117 -0.06939 36  VAL A CG1  
225  C  CG2  . VAL A 16 ? 0.32940 0.33268 0.23542 0.11912  -0.05712 -0.07046 36  VAL A CG2  
226  H  H    . VAL A 16 ? 0.28461 0.28461 0.28461 0.00000  -0.00000 0.00000  36  VAL A H    
227  H  HA   . VAL A 16 ? 0.30143 0.30143 0.30143 -0.00000 -0.00000 0.00000  36  VAL A HA   
228  H  HB   . VAL A 16 ? 0.34612 0.34612 0.34612 0.00000  -0.00000 -0.00000 36  VAL A HB   
229  H  HG11 . VAL A 16 ? 0.36528 0.36528 0.36528 -0.00000 -0.00000 0.00000  36  VAL A HG11 
230  H  HG12 . VAL A 16 ? 0.36528 0.36528 0.36528 -0.00000 -0.00000 0.00000  36  VAL A HG12 
231  H  HG13 . VAL A 16 ? 0.36528 0.36528 0.36528 -0.00000 -0.00000 0.00000  36  VAL A HG13 
232  H  HG21 . VAL A 16 ? 0.35913 0.35913 0.35913 -0.00000 0.00000  -0.00000 36  VAL A HG21 
233  H  HG22 . VAL A 16 ? 0.35913 0.35913 0.35913 -0.00000 0.00000  -0.00000 36  VAL A HG22 
234  H  HG23 . VAL A 16 ? 0.35913 0.35913 0.35913 -0.00000 0.00000  -0.00000 36  VAL A HG23 
235  N  N    . ASN A 17 ? 0.20727 0.22420 0.13001 0.08679  -0.01538 -0.03696 37  ASN A N    
236  C  CA   . ASN A 17 ? 0.18510 0.18293 0.13786 0.05119  -0.00018 -0.01582 37  ASN A CA   
237  C  C    . ASN A 17 ? 0.18229 0.15277 0.14731 0.03995  0.01248  -0.00206 37  ASN A C    
238  O  O    . ASN A 17 ? 0.20082 0.15078 0.18536 0.03411  0.00115  0.00850  37  ASN A O    
239  C  CB   . ASN A 17 ? 0.17582 0.16705 0.14816 0.02465  0.00299  -0.01074 37  ASN A CB   
240  C  CG   . ASN A 17 ? 0.17834 0.15589 0.16999 0.01149  0.00622  0.01111  37  ASN A CG   
241  O  OD1  . ASN A 17 ? 0.20665 0.16209 0.18850 0.00747  -0.00027 0.01202  37  ASN A OD1  
242  N  ND2  . ASN A 17 ? 0.17173 0.16564 0.18114 0.00371  0.03425  0.01578  37  ASN A ND2  
243  H  H    . ASN A 17 ? 0.22472 0.22472 0.22472 0.00000  0.00000  0.00000  37  ASN A H    
244  H  HA   . ASN A 17 ? 0.20249 0.20249 0.20249 -0.00000 0.00000  0.00000  37  ASN A HA   
245  H  HB2  . ASN A 17 ? 0.19654 0.19654 0.19654 -0.00000 0.00000  0.00000  37  ASN A HB2  
246  H  HB3  . ASN A 17 ? 0.19654 0.19654 0.19654 -0.00000 0.00000  0.00000  37  ASN A HB3  
247  H  HD21 . ASN A 17 ? 0.20754 0.20754 0.20754 0.00000  0.00000  -0.00000 37  ASN A HD21 
248  H  HD22 . ASN A 17 ? 0.20754 0.20754 0.20754 0.00000  0.00000  -0.00000 37  ASN A HD22 
249  N  N    . LEU A 18 ? 0.16554 0.14723 0.13154 0.04033  0.02264  0.00674  38  LEU A N    
250  C  CA   . LEU A 18 ? 0.16401 0.12934 0.11518 0.03393  0.02644  0.00677  38  LEU A CA   
251  C  C    . LEU A 18 ? 0.16081 0.10718 0.12041 0.03064  0.02674  0.00037  38  LEU A C    
252  O  O    . LEU A 18 ? 0.15398 0.11481 0.11211 0.02218  0.02871  0.00079  38  LEU A O    
253  C  CB   . LEU A 18 ? 0.17564 0.15394 0.11453 0.04007  0.02886  -0.00989 38  LEU A CB   
254  C  CG   . LEU A 18 ? 0.19803 0.18331 0.12435 0.03759  0.02291  -0.02238 38  LEU A CG   
255  C  CD1  . LEU A 18 ? 0.22087 0.19108 0.14550 0.05452  0.01393  -0.03819 38  LEU A CD1  
256  C  CD2  . LEU A 18 ? 0.23197 0.21262 0.13939 0.01262  0.03679  -0.02304 38  LEU A CD2  
257  H  H    . LEU A 18 ? 0.17786 0.17786 0.17786 0.00000  -0.00000 -0.00000 38  LEU A H    
258  H  HA   . LEU A 18 ? 0.16354 0.16354 0.16354 0.00000  -0.00000 0.00000  38  LEU A HA   
259  H  HB2  . LEU A 18 ? 0.17778 0.17778 0.17778 0.00000  -0.00000 -0.00000 38  LEU A HB2  
260  H  HB3  . LEU A 18 ? 0.17778 0.17778 0.17778 0.00000  -0.00000 -0.00000 38  LEU A HB3  
261  H  HG   . LEU A 18 ? 0.20241 0.20241 0.20241 0.00000  0.00000  -0.00000 38  LEU A HG   
262  H  HD11 . LEU A 18 ? 0.22311 0.22311 0.22311 0.00000  -0.00000 0.00000  38  LEU A HD11 
263  H  HD12 . LEU A 18 ? 0.22311 0.22311 0.22311 0.00000  -0.00000 0.00000  38  LEU A HD12 
264  H  HD13 . LEU A 18 ? 0.22311 0.22311 0.22311 0.00000  -0.00000 0.00000  38  LEU A HD13 
265  H  HD21 . LEU A 18 ? 0.23373 0.23373 0.23373 -0.00000 0.00000  0.00000  38  LEU A HD21 
266  H  HD22 . LEU A 18 ? 0.23373 0.23373 0.23373 -0.00000 0.00000  0.00000  38  LEU A HD22 
267  H  HD23 . LEU A 18 ? 0.23373 0.23373 0.23373 -0.00000 0.00000  0.00000  38  LEU A HD23 
268  N  N    . MET A 19 ? 0.16884 0.10692 0.12512 0.02223  0.03688  -0.00405 39  MET A N    
269  C  CA   . MET A 19 ? 0.17385 0.09510 0.13525 0.00977  0.04464  -0.00473 39  MET A CA   
270  C  C    . MET A 19 ? 0.16465 0.08927 0.12365 0.00569  0.04446  -0.00791 39  MET A C    
271  O  O    . MET A 19 ? 0.17372 0.08845 0.12682 0.00563  0.04087  -0.01373 39  MET A O    
272  C  CB   . MET A 19 ? 0.19353 0.09435 0.16009 0.00878  0.04596  -0.00159 39  MET A CB   
273  C  CG   . MET A 19 ? 0.21571 0.10923 0.17526 0.00984  0.04321  0.00585  39  MET A CG   
274  S  SD   . MET A 19 ? 0.23882 0.13508 0.18581 -0.00704 0.04835  0.01451  39  MET A SD   
275  C  CE   . MET A 19 ? 0.24220 0.17737 0.20308 -0.02585 0.06150  0.02186  39  MET A CE   
276  H  H    . MET A 19 ? 0.16048 0.16048 0.16048 0.00000  -0.00000 -0.00000 39  MET A H    
277  H  HA   . MET A 19 ? 0.16181 0.16181 0.16181 0.00000  -0.00000 -0.00000 39  MET A HA   
278  H  HB2  . MET A 19 ? 0.17932 0.17932 0.17932 -0.00000 -0.00000 -0.00000 39  MET A HB2  
279  H  HB3  . MET A 19 ? 0.17932 0.17932 0.17932 -0.00000 -0.00000 -0.00000 39  MET A HB3  
280  H  HG2  . MET A 19 ? 0.20021 0.20021 0.20021 -0.00000 0.00000  0.00000  39  MET A HG2  
281  H  HG3  . MET A 19 ? 0.20021 0.20021 0.20021 -0.00000 0.00000  0.00000  39  MET A HG3  
282  H  HE1  . MET A 19 ? 0.24919 0.24919 0.24919 -0.00000 0.00000  0.00000  39  MET A HE1  
283  H  HE2  . MET A 19 ? 0.24919 0.24919 0.24919 -0.00000 0.00000  0.00000  39  MET A HE2  
284  H  HE3  . MET A 19 ? 0.24919 0.24919 0.24919 -0.00000 0.00000  0.00000  39  MET A HE3  
285  N  N    . SER A 20 ? 0.14960 0.09323 0.12177 0.01068  0.03517  -0.01091 40  SER A N    
286  C  CA   . SER A 20 ? 0.14169 0.09827 0.13034 0.01060  0.02679  -0.01745 40  SER A CA   
287  C  C    . SER A 20 ? 0.13372 0.08242 0.11280 0.01969  0.02197  -0.01264 40  SER A C    
288  O  O    . SER A 20 ? 0.12166 0.08959 0.13180 0.01739  0.00802  -0.01189 40  SER A O    
289  C  CB   . SER A 20 ? 0.14019 0.10044 0.14105 0.01627  0.03669  -0.00369 40  SER A CB   
290  O  OG   . SER A 20 ? 0.15972 0.10025 0.14461 0.01503  0.04308  -0.01306 40  SER A OG   
291  H  H    . SER A 20 ? 0.14597 0.14597 0.14597 -0.00000 0.00000  0.00000  40  SER A H    
292  H  HA   . SER A 20 ? 0.14825 0.14825 0.14825 0.00000  -0.00000 -0.00000 40  SER A HA   
293  H  HB2  . SER A 20 ? 0.15281 0.15281 0.15281 0.00000  -0.00000 0.00000  40  SER A HB2  
294  H  HB3  . SER A 20 ? 0.15281 0.15281 0.15281 0.00000  -0.00000 0.00000  40  SER A HB3  
295  H  HG   . SER A 20 ? 0.16196 0.16196 0.16196 0.00000  -0.00000 0.00000  40  SER A HG   
296  N  N    . TYR A 21 ? 0.13035 0.09907 0.10280 0.01140  0.01825  -0.02248 41  TYR A N    
297  C  CA   . TYR A 21 ? 0.12433 0.08615 0.09903 0.01009  0.02091  -0.01291 41  TYR A CA   
298  C  C    . TYR A 21 ? 0.12430 0.08456 0.08342 0.00722  0.00792  -0.01237 41  TYR A C    
299  O  O    . TYR A 21 ? 0.12787 0.08459 0.08458 0.00997  0.01009  -0.01175 41  TYR A O    
300  C  CB   . TYR A 21 ? 0.13276 0.09647 0.08990 0.01317  0.01814  -0.01499 41  TYR A CB   
301  C  CG   . TYR A 21 ? 0.13350 0.10407 0.08929 0.01108  0.01306  -0.02103 41  TYR A CG   
302  C  CD1  . TYR A 21 ? 0.14221 0.09539 0.11033 0.00725  0.01740  -0.02486 41  TYR A CD1  
303  C  CD2  . TYR A 21 ? 0.13841 0.12049 0.09322 0.00867  0.00401  -0.01697 41  TYR A CD2  
304  C  CE1  . TYR A 21 ? 0.15080 0.10548 0.11843 -0.00390 0.02132  -0.02446 41  TYR A CE1  
305  C  CE2  . TYR A 21 ? 0.13979 0.12882 0.11438 0.00820  0.01388  -0.02366 41  TYR A CE2  
306  C  CZ   . TYR A 21 ? 0.14362 0.11721 0.11761 -0.00712 0.01817  -0.03455 41  TYR A CZ   
307  O  OH   . TYR A 21 ? 0.15048 0.14293 0.15101 -0.01386 0.02537  -0.02681 41  TYR A OH   
308  H  H    . TYR A 21 ? 0.13302 0.13302 0.13302 -0.00000 -0.00000 0.00000  41  TYR A H    
309  H  HA   . TYR A 21 ? 0.12393 0.12393 0.12393 0.00000  0.00000  0.00000  41  TYR A HA   
310  H  HB2  . TYR A 21 ? 0.12779 0.12779 0.12779 0.00000  -0.00000 0.00000  41  TYR A HB2  
311  H  HB3  . TYR A 21 ? 0.12779 0.12779 0.12779 0.00000  -0.00000 0.00000  41  TYR A HB3  
312  H  HD1  . TYR A 21 ? 0.13930 0.13930 0.13930 0.00000  -0.00000 -0.00000 41  TYR A HD1  
313  H  HD2  . TYR A 21 ? 0.14098 0.14098 0.14098 -0.00000 -0.00000 0.00000  41  TYR A HD2  
314  H  HE1  . TYR A 21 ? 0.15002 0.15002 0.15002 -0.00000 0.00000  0.00000  41  TYR A HE1  
315  H  HE2  . TYR A 21 ? 0.15333 0.15333 0.15333 0.00000  -0.00000 0.00000  41  TYR A HE2  
316  H  HH   . TYR A 21 ? 0.17790 0.17790 0.17790 -0.00000 -0.00000 0.00000  41  TYR A HH   
317  N  N    . VAL A 22 ? 0.12314 0.08346 0.08018 0.01483  0.01322  -0.01199 42  VAL A N    
318  C  CA   . VAL A 22 ? 0.12185 0.08401 0.07829 0.00932  0.01041  -0.00993 42  VAL A CA   
319  C  C    . VAL A 22 ? 0.12170 0.06983 0.08943 0.01338  0.01131  -0.00841 42  VAL A C    
320  O  O    . VAL A 22 ? 0.12476 0.07117 0.09112 0.01288  0.00916  -0.01000 42  VAL A O    
321  C  CB   . VAL A 22 ? 0.13116 0.09147 0.08631 0.01670  0.01050  -0.00739 42  VAL A CB   
322  C  CG1  . VAL A 22 ? 0.13040 0.08662 0.10096 0.01681  0.01056  -0.00178 42  VAL A CG1  
323  C  CG2  . VAL A 22 ? 0.13715 0.11253 0.09765 0.02316  0.00017  -0.00570 42  VAL A CG2  
324  H  H    . VAL A 22 ? 0.11485 0.11485 0.11485 -0.00000 0.00000  0.00000  42  VAL A H    
325  H  HA   . VAL A 22 ? 0.11379 0.11379 0.11379 -0.00000 -0.00000 0.00000  42  VAL A HA   
326  H  HB   . VAL A 22 ? 0.12371 0.12371 0.12371 -0.00000 0.00000  0.00000  42  VAL A HB   
327  H  HG11 . VAL A 22 ? 0.12732 0.12732 0.12732 -0.00000 -0.00000 -0.00000 42  VAL A HG11 
328  H  HG12 . VAL A 22 ? 0.12732 0.12732 0.12732 -0.00000 -0.00000 -0.00000 42  VAL A HG12 
329  H  HG13 . VAL A 22 ? 0.12732 0.12732 0.12732 -0.00000 -0.00000 -0.00000 42  VAL A HG13 
330  H  HG21 . VAL A 22 ? 0.13907 0.13907 0.13907 -0.00000 -0.00000 0.00000  42  VAL A HG21 
331  H  HG22 . VAL A 22 ? 0.13907 0.13907 0.13907 -0.00000 -0.00000 0.00000  42  VAL A HG22 
332  H  HG23 . VAL A 22 ? 0.13907 0.13907 0.13907 -0.00000 -0.00000 0.00000  42  VAL A HG23 
333  N  N    . THR A 23 ? 0.12650 0.08589 0.08663 0.00396  0.00515  -0.00397 43  THR A N    
334  C  CA   . THR A 23 ? 0.12273 0.08446 0.09419 0.00551  -0.00226 -0.00821 43  THR A CA   
335  C  C    . THR A 23 ? 0.12051 0.08665 0.08754 0.01583  -0.00492 -0.00797 43  THR A C    
336  O  O    . THR A 23 ? 0.13426 0.07949 0.08974 0.01499  -0.00932 -0.01106 43  THR A O    
337  C  CB   . THR A 23 ? 0.12848 0.10350 0.12559 -0.00173 -0.01277 0.00750  43  THR A CB   
338  O  OG1  . THR A 23 ? 0.14621 0.11402 0.14475 -0.00384 -0.00870 0.01840  43  THR A OG1  
339  C  CG2  . THR A 23 ? 0.13606 0.11544 0.13341 0.00066  -0.01295 0.00626  43  THR A CG2  
340  H  H    . THR A 23 ? 0.11974 0.11974 0.11974 0.00000  0.00000  0.00000  43  THR A H    
341  H  HA   . THR A 23 ? 0.12069 0.12069 0.12069 -0.00000 0.00000  -0.00000 43  THR A HA   
342  H  HB   . THR A 23 ? 0.14316 0.14316 0.14316 -0.00000 -0.00000 0.00000  43  THR A HB   
343  H  HG1  . THR A 23 ? 0.16212 0.16212 0.16212 0.00000  -0.00000 0.00000  43  THR A HG1  
344  H  HG21 . THR A 23 ? 0.15410 0.15410 0.15410 0.00000  -0.00000 0.00000  43  THR A HG21 
345  H  HG22 . THR A 23 ? 0.15410 0.15410 0.15410 0.00000  -0.00000 0.00000  43  THR A HG22 
346  H  HG23 . THR A 23 ? 0.15410 0.15410 0.15410 0.00000  -0.00000 0.00000  43  THR A HG23 
347  N  N    . TYR A 24 ? 0.12075 0.08137 0.09280 0.01610  0.00138  -0.01277 44  TYR A N    
348  C  CA   . TYR A 24 ? 0.13397 0.08200 0.09371 0.01958  0.00160  -0.00926 44  TYR A CA   
349  C  C    . TYR A 24 ? 0.12576 0.06975 0.08920 0.01792  -0.00012 -0.01638 44  TYR A C    
350  O  O    . TYR A 24 ? 0.14080 0.06919 0.09070 0.02315  0.00312  -0.00704 44  TYR A O    
351  C  CB   . TYR A 24 ? 0.14475 0.08714 0.10670 0.02620  0.00729  -0.01344 44  TYR A CB   
352  C  CG   . TYR A 24 ? 0.15861 0.08187 0.12619 0.02527  0.02954  -0.02643 44  TYR A CG   
353  C  CD1  . TYR A 24 ? 0.19133 0.08146 0.12634 0.03216  0.03710  -0.01856 44  TYR A CD1  
354  C  CD2  . TYR A 24 ? 0.16269 0.10154 0.17039 0.00752  0.02618  -0.03650 44  TYR A CD2  
355  C  CE1  . TYR A 24 ? 0.21404 0.09320 0.15753 0.03715  0.03966  -0.01023 44  TYR A CE1  
356  C  CE2  . TYR A 24 ? 0.18143 0.11439 0.19713 0.00475  0.03742  -0.03525 44  TYR A CE2  
357  C  CZ   . TYR A 24 ? 0.21094 0.10018 0.19063 0.01554  0.05861  -0.02106 44  TYR A CZ   
358  O  OH   . TYR A 24 ? 0.25229 0.11684 0.23136 -0.00728 0.06694  -0.01264 44  TYR A OH   
359  H  H    . TYR A 24 ? 0.11810 0.11810 0.11810 -0.00000 0.00000  0.00000  44  TYR A H    
360  H  HA   . TYR A 24 ? 0.12400 0.12400 0.12400 0.00000  -0.00000 -0.00000 44  TYR A HA   
361  H  HB2  . TYR A 24 ? 0.13557 0.13557 0.13557 -0.00000 0.00000  0.00000  44  TYR A HB2  
362  H  HB3  . TYR A 24 ? 0.13557 0.13557 0.13557 -0.00000 0.00000  0.00000  44  TYR A HB3  
363  H  HD1  . TYR A 24 ? 0.15978 0.15978 0.15978 0.00000  -0.00000 0.00000  44  TYR A HD1  
364  H  HD2  . TYR A 24 ? 0.17398 0.17398 0.17398 0.00000  0.00000  0.00000  44  TYR A HD2  
365  H  HE1  . TYR A 24 ? 0.18604 0.18604 0.18604 0.00000  -0.00000 0.00000  44  TYR A HE1  
366  H  HE2  . TYR A 24 ? 0.19731 0.19731 0.19731 -0.00000 -0.00000 0.00000  44  TYR A HE2  
367  H  HH   . TYR A 24 ? 0.24033 0.24033 0.24033 0.00000  0.00000  0.00000  44  TYR A HH   
368  N  N    . VAL A 25 ? 0.12206 0.07104 0.08288 0.01243  -0.00089 -0.00774 45  VAL A N    
369  C  CA   . VAL A 25 ? 0.12442 0.06748 0.08642 0.00844  0.00449  -0.00366 45  VAL A CA   
370  C  C    . VAL A 25 ? 0.12239 0.06047 0.08620 0.02146  0.00472  -0.00083 45  VAL A C    
371  O  O    . VAL A 25 ? 0.13206 0.06858 0.08216 0.00887  0.00533  -0.00279 45  VAL A O    
372  C  CB   . VAL A 25 ? 0.12654 0.08916 0.09098 0.00140  0.00343  -0.00623 45  VAL A CB   
373  C  CG1  . VAL A 25 ? 0.11939 0.09757 0.09934 0.01171  -0.00081 -0.00586 45  VAL A CG1  
374  C  CG2  . VAL A 25 ? 0.13734 0.11188 0.09038 -0.00596 0.00114  -0.01561 45  VAL A CG2  
375  H  H    . VAL A 25 ? 0.11052 0.11052 0.11052 -0.00000 0.00000  0.00000  45  VAL A H    
376  H  HA   . VAL A 25 ? 0.11146 0.11146 0.11146 0.00000  0.00000  0.00000  45  VAL A HA   
377  H  HB   . VAL A 25 ? 0.12280 0.12280 0.12280 0.00000  0.00000  0.00000  45  VAL A HB   
378  H  HG11 . VAL A 25 ? 0.12665 0.12665 0.12665 -0.00000 -0.00000 0.00000  45  VAL A HG11 
379  H  HG12 . VAL A 25 ? 0.12665 0.12665 0.12665 -0.00000 -0.00000 0.00000  45  VAL A HG12 
380  H  HG13 . VAL A 25 ? 0.12665 0.12665 0.12665 -0.00000 -0.00000 0.00000  45  VAL A HG13 
381  H  HG21 . VAL A 25 ? 0.13598 0.13598 0.13598 -0.00000 -0.00000 0.00000  45  VAL A HG21 
382  H  HG22 . VAL A 25 ? 0.13598 0.13598 0.13598 -0.00000 -0.00000 0.00000  45  VAL A HG22 
383  H  HG23 . VAL A 25 ? 0.13598 0.13598 0.13598 -0.00000 -0.00000 0.00000  45  VAL A HG23 
384  N  N    . PHE A 26 ? 0.12197 0.06413 0.08699 0.01174  0.00384  -0.00094 46  PHE A N    
385  C  CA   . PHE A 26 ? 0.13027 0.06849 0.09523 0.01337  -0.00162 -0.01409 46  PHE A CA   
386  C  C    . PHE A 26 ? 0.13978 0.07781 0.08873 0.01558  -0.00082 -0.01769 46  PHE A C    
387  O  O    . PHE A 26 ? 0.14840 0.09295 0.09409 0.02179  0.00264  -0.01166 46  PHE A O    
388  C  CB   . PHE A 26 ? 0.12763 0.06939 0.11098 0.01350  -0.00890 -0.01151 46  PHE A CB   
389  C  CG   . PHE A 26 ? 0.12037 0.06369 0.10391 0.01118  -0.00300 -0.01729 46  PHE A CG   
390  C  CD1  . PHE A 26 ? 0.12016 0.05829 0.13519 0.00988  -0.00141 -0.00369 46  PHE A CD1  
391  C  CD2  . PHE A 26 ? 0.12686 0.07809 0.09954 0.00702  0.00277  -0.01429 46  PHE A CD2  
392  C  CE1  . PHE A 26 ? 0.12436 0.06796 0.13433 0.01500  -0.01053 -0.00716 46  PHE A CE1  
393  C  CE2  . PHE A 26 ? 0.13420 0.07122 0.09636 0.00665  0.00130  -0.01322 46  PHE A CE2  
394  C  CZ   . PHE A 26 ? 0.12183 0.06618 0.10546 0.01075  -0.00670 -0.01492 46  PHE A CZ   
395  H  H    . PHE A 26 ? 0.10937 0.10937 0.10937 0.00000  0.00000  -0.00000 46  PHE A H    
396  H  HA   . PHE A 26 ? 0.11773 0.11773 0.11773 0.00000  0.00000  0.00000  46  PHE A HA   
397  H  HB2  . PHE A 26 ? 0.12333 0.12333 0.12333 0.00000  0.00000  -0.00000 46  PHE A HB2  
398  H  HB3  . PHE A 26 ? 0.12333 0.12333 0.12333 0.00000  0.00000  -0.00000 46  PHE A HB3  
399  H  HD1  . PHE A 26 ? 0.12559 0.12559 0.12559 0.00000  0.00000  0.00000  46  PHE A HD1  
400  H  HD2  . PHE A 26 ? 0.12193 0.12193 0.12193 0.00000  0.00000  0.00000  46  PHE A HD2  
401  H  HE1  . PHE A 26 ? 0.13079 0.13079 0.13079 0.00000  0.00000  0.00000  46  PHE A HE1  
402  H  HE2  . PHE A 26 ? 0.12084 0.12084 0.12084 -0.00000 0.00000  0.00000  46  PHE A HE2  
403  H  HZ   . PHE A 26 ? 0.11752 0.11752 0.11752 0.00000  0.00000  0.00000  46  PHE A HZ   
404  N  N    . GLN A 27 ? 0.14410 0.07053 0.08855 0.02166  -0.00250 -0.01165 47  GLN A N    
405  C  CA   . GLN A 27 ? 0.14787 0.07881 0.09157 0.02775  -0.00768 -0.01147 47  GLN A CA   
406  C  C    . GLN A 27 ? 0.15893 0.08605 0.09683 0.03351  -0.00023 0.00109  47  GLN A C    
407  O  O    . GLN A 27 ? 0.18139 0.10832 0.09622 0.02488  -0.00640 0.01251  47  GLN A O    
408  C  CB   . GLN A 27 ? 0.14989 0.07906 0.09131 0.02326  -0.00929 -0.00972 47  GLN A CB   
409  C  CG   . GLN A 27 ? 0.14615 0.09436 0.08639 0.02683  -0.01288 -0.01357 47  GLN A CG   
410  C  CD   . GLN A 27 ? 0.16149 0.11438 0.11135 0.02280  -0.01128 -0.02798 47  GLN A CD   
411  O  OE1  . GLN A 27 ? 0.16929 0.14988 0.13432 0.03248  -0.00207 -0.04085 47  GLN A OE1  
412  N  NE2  . GLN A 27 ? 0.16078 0.13742 0.10913 0.03030  -0.01722 -0.01748 47  GLN A NE2  
413  H  H    . GLN A 27 ? 0.12140 0.12140 0.12140 0.00000  0.00000  -0.00000 47  GLN A H    
414  H  HA   . GLN A 27 ? 0.12743 0.12743 0.12743 -0.00000 -0.00000 0.00000  47  GLN A HA   
415  H  HB2  . GLN A 27 ? 0.12824 0.12824 0.12824 -0.00000 -0.00000 -0.00000 47  GLN A HB2  
416  H  HB3  . GLN A 27 ? 0.12824 0.12824 0.12824 -0.00000 -0.00000 -0.00000 47  GLN A HB3  
417  H  HG2  . GLN A 27 ? 0.13089 0.13089 0.13089 -0.00000 0.00000  0.00000  47  GLN A HG2  
418  H  HG3  . GLN A 27 ? 0.13089 0.13089 0.13089 -0.00000 0.00000  0.00000  47  GLN A HG3  
419  H  HE21 . GLN A 27 ? 0.16306 0.16306 0.16306 0.00000  0.00000  0.00000  47  GLN A HE21 
420  H  HE22 . GLN A 27 ? 0.16306 0.16306 0.16306 0.00000  0.00000  0.00000  47  GLN A HE22 
421  N  N    . LYS A 28 ? 0.16265 0.07770 0.10453 0.02266  -0.00278 0.00135  48  LYS A N    
422  C  CA   . LYS A 28 ? 0.18366 0.06721 0.12713 0.01463  0.00570  0.00911  48  LYS A CA   
423  C  C    . LYS A 28 ? 0.17480 0.07962 0.10897 0.01035  0.00454  0.01985  48  LYS A C    
424  O  O    . LYS A 28 ? 0.19928 0.10639 0.13463 0.00989  0.01879  0.03837  48  LYS A O    
425  C  CB   . LYS A 28 ? 0.23805 0.07770 0.15827 -0.00760 0.01694  -0.01107 48  LYS A CB   
426  C  CG   . LYS A 28 ? 0.31050 0.09727 0.20659 -0.02098 0.02390  -0.00567 48  LYS A CG   
427  C  CD   . LYS A 28 ? 0.38856 0.11727 0.27141 -0.01597 0.02112  0.00454  48  LYS A CD   
428  C  CE   . LYS A 28 ? 0.44902 0.14771 0.32145 -0.01467 0.02148  0.01588  48  LYS A CE   
429  N  NZ   . LYS A 28 ? 0.48025 0.17170 0.34683 -0.01011 0.02685  0.02719  48  LYS A NZ   
430  H  H    . LYS A 28 ? 0.13808 0.13808 0.13808 -0.00000 -0.00000 0.00000  48  LYS A H    
431  H  HA   . LYS A 28 ? 0.15133 0.15133 0.15133 0.00000  -0.00000 -0.00000 48  LYS A HA   
432  H  HB2  . LYS A 28 ? 0.18974 0.18974 0.18974 -0.00000 -0.00000 -0.00000 48  LYS A HB2  
433  H  HB3  . LYS A 28 ? 0.18974 0.18974 0.18974 -0.00000 -0.00000 -0.00000 48  LYS A HB3  
434  H  HG2  . LYS A 28 ? 0.24588 0.24588 0.24588 0.00000  -0.00000 0.00000  48  LYS A HG2  
435  H  HG3  . LYS A 28 ? 0.24588 0.24588 0.24588 0.00000  -0.00000 0.00000  48  LYS A HG3  
436  H  HD2  . LYS A 28 ? 0.31103 0.31103 0.31103 0.00000  -0.00000 -0.00000 48  LYS A HD2  
437  H  HD3  . LYS A 28 ? 0.31103 0.31103 0.31103 0.00000  -0.00000 -0.00000 48  LYS A HD3  
438  H  HE2  . LYS A 28 ? 0.36741 0.36741 0.36741 -0.00000 -0.00000 0.00000  48  LYS A HE2  
439  H  HE3  . LYS A 28 ? 0.36741 0.36741 0.36741 -0.00000 -0.00000 0.00000  48  LYS A HE3  
440  H  HZ1  . LYS A 28 ? 0.39964 0.39964 0.39964 0.00000  0.00000  -0.00000 48  LYS A HZ1  
441  H  HZ2  . LYS A 28 ? 0.39964 0.39964 0.39964 0.00000  0.00000  -0.00000 48  LYS A HZ2  
442  H  HZ3  . LYS A 28 ? 0.39964 0.39964 0.39964 0.00000  0.00000  -0.00000 48  LYS A HZ3  
443  N  N    . LEU A 29 ? 0.15232 0.08861 0.09691 -0.00341 0.00058  0.01757  49  LEU A N    
444  C  CA   . LEU A 29 ? 0.14644 0.11421 0.09853 -0.01302 0.00169  0.01666  49  LEU A CA   
445  C  C    . LEU A 29 ? 0.14793 0.13413 0.09396 -0.00982 0.00537  0.02030  49  LEU A C    
446  O  O    . LEU A 29 ? 0.16995 0.18352 0.10175 -0.02656 0.01078  0.00850  49  LEU A O    
447  C  CB   . LEU A 29 ? 0.14263 0.13465 0.09524 -0.00756 0.00429  0.01331  49  LEU A CB   
448  C  CG   . LEU A 29 ? 0.14276 0.15077 0.11296 -0.01177 -0.00300 0.00882  49  LEU A CG   
449  C  CD1  . LEU A 29 ? 0.14768 0.17016 0.11046 -0.00104 -0.00229 0.02204  49  LEU A CD1  
450  C  CD2  . LEU A 29 ? 0.16429 0.15084 0.14101 -0.01585 -0.00147 0.00467  49  LEU A CD2  
451  H  H    . LEU A 29 ? 0.13527 0.13527 0.13527 -0.00000 -0.00000 0.00000  49  LEU A H    
452  H  HA   . LEU A 29 ? 0.14380 0.14380 0.14380 -0.00000 -0.00000 0.00000  49  LEU A HA   
453  H  HB2  . LEU A 29 ? 0.14914 0.14914 0.14914 0.00000  -0.00000 0.00000  49  LEU A HB2  
454  H  HB3  . LEU A 29 ? 0.14914 0.14914 0.14914 0.00000  -0.00000 0.00000  49  LEU A HB3  
455  H  HG   . LEU A 29 ? 0.16273 0.16273 0.16273 -0.00000 -0.00000 0.00000  49  LEU A HG   
456  H  HD11 . LEU A 29 ? 0.17145 0.17145 0.17145 0.00000  -0.00000 0.00000  49  LEU A HD11 
457  H  HD12 . LEU A 29 ? 0.17145 0.17145 0.17145 0.00000  -0.00000 0.00000  49  LEU A HD12 
458  H  HD13 . LEU A 29 ? 0.17145 0.17145 0.17145 0.00000  -0.00000 0.00000  49  LEU A HD13 
459  H  HD21 . LEU A 29 ? 0.18259 0.18259 0.18259 0.00000  -0.00000 0.00000  49  LEU A HD21 
460  H  HD22 . LEU A 29 ? 0.18259 0.18259 0.18259 0.00000  -0.00000 0.00000  49  LEU A HD22 
461  H  HD23 . LEU A 29 ? 0.18259 0.18259 0.18259 0.00000  -0.00000 0.00000  49  LEU A HD23 
462  N  N    . PHE A 30 ? 0.13523 0.11820 0.08504 0.00347  0.00127  0.00601  50  PHE A N    
463  C  CA   . PHE A 30 ? 0.15122 0.12675 0.08691 0.02275  -0.00051 0.00416  50  PHE A CA   
464  C  C    . PHE A 30 ? 0.16174 0.12524 0.08620 0.02112  -0.01046 0.00048  50  PHE A C    
465  O  O    . PHE A 30 ? 0.17224 0.13571 0.09219 0.02069  -0.00928 -0.00532 50  PHE A O    
466  C  CB   . PHE A 30 ? 0.17648 0.13878 0.09967 0.04792  -0.01355 -0.01482 50  PHE A CB   
467  C  CG   . PHE A 30 ? 0.18806 0.18009 0.09706 0.08686  -0.01206 -0.01216 50  PHE A CG   
468  C  CD1  . PHE A 30 ? 0.20204 0.24677 0.12937 0.09652  -0.01154 0.01102  50  PHE A CD1  
469  C  CD2  . PHE A 30 ? 0.21140 0.18850 0.09777 0.09412  -0.01714 -0.01533 50  PHE A CD2  
470  C  CE1  . PHE A 30 ? 0.21474 0.27772 0.15974 0.09607  -0.02325 0.01558  50  PHE A CE1  
471  C  CE2  . PHE A 30 ? 0.23011 0.23167 0.10994 0.09966  -0.02074 -0.00026 50  PHE A CE2  
472  C  CZ   . PHE A 30 ? 0.22701 0.26966 0.15328 0.09622  -0.02811 0.00890  50  PHE A CZ   
473  H  H    . PHE A 30 ? 0.13552 0.13552 0.13552 0.00000  0.00000  0.00000  50  PHE A H    
474  H  HA   . PHE A 30 ? 0.14609 0.14609 0.14609 -0.00000 -0.00000 -0.00000 50  PHE A HA   
475  H  HB2  . PHE A 30 ? 0.16610 0.16610 0.16610 -0.00000 -0.00000 0.00000  50  PHE A HB2  
476  H  HB3  . PHE A 30 ? 0.16610 0.16610 0.16610 -0.00000 -0.00000 0.00000  50  PHE A HB3  
477  H  HD1  . PHE A 30 ? 0.23140 0.23140 0.23140 -0.00000 0.00000  0.00000  50  PHE A HD1  
478  H  HD2  . PHE A 30 ? 0.19920 0.19920 0.19920 -0.00000 0.00000  -0.00000 50  PHE A HD2  
479  H  HE1  . PHE A 30 ? 0.26101 0.26101 0.26101 -0.00000 -0.00000 -0.00000 50  PHE A HE1  
480  H  HE2  . PHE A 30 ? 0.22882 0.22882 0.22882 -0.00000 0.00000  0.00000  50  PHE A HE2  
481  H  HZ   . PHE A 30 ? 0.26011 0.26011 0.26011 -0.00000 -0.00000 0.00000  50  PHE A HZ   
482  N  N    . GLY A 31 ? 0.15830 0.11323 0.08726 0.02386  -0.01234 -0.00261 51  GLY A N    
483  C  CA   . GLY A 31 ? 0.16551 0.10541 0.09174 0.02553  -0.00933 0.00821  51  GLY A CA   
484  C  C    . GLY A 31 ? 0.14948 0.10626 0.09346 0.03355  -0.01058 -0.00133 51  GLY A C    
485  O  O    . GLY A 31 ? 0.16431 0.12122 0.11320 0.02429  -0.03233 0.00823  51  GLY A O    
486  H  H    . GLY A 31 ? 0.14365 0.14365 0.14365 -0.00000 0.00000  0.00000  51  GLY A H    
487  H  HA2  . GLY A 31 ? 0.14520 0.14520 0.14520 -0.00000 -0.00000 -0.00000 51  GLY A HA2  
488  H  HA3  . GLY A 31 ? 0.14520 0.14520 0.14520 -0.00000 -0.00000 -0.00000 51  GLY A HA3  
489  N  N    . TYR A 32 ? 0.14069 0.10352 0.08868 0.03130  -0.01251 -0.00699 52  TYR A N    
490  C  CA   . TYR A 32 ? 0.13886 0.09495 0.08271 0.02120  -0.01312 -0.02015 52  TYR A CA   
491  C  C    . TYR A 32 ? 0.14377 0.09864 0.07763 0.02798  -0.01839 -0.01549 52  TYR A C    
492  O  O    . TYR A 32 ? 0.15128 0.10304 0.08886 0.03223  -0.01424 -0.02284 52  TYR A O    
493  C  CB   . TYR A 32 ? 0.14463 0.09481 0.08498 0.02723  -0.01103 -0.00837 52  TYR A CB   
494  C  CG   . TYR A 32 ? 0.14600 0.08584 0.08462 0.02989  -0.00927 -0.01021 52  TYR A CG   
495  C  CD1  . TYR A 32 ? 0.16015 0.10618 0.08849 0.03137  -0.00778 -0.00619 52  TYR A CD1  
496  C  CD2  . TYR A 32 ? 0.14207 0.08718 0.08369 0.02351  -0.00592 -0.00412 52  TYR A CD2  
497  C  CE1  . TYR A 32 ? 0.15998 0.10399 0.08467 0.03635  -0.00060 -0.00271 52  TYR A CE1  
498  C  CE2  . TYR A 32 ? 0.15283 0.09188 0.09255 0.02769  -0.00858 -0.00362 52  TYR A CE2  
499  C  CZ   . TYR A 32 ? 0.15527 0.09973 0.09290 0.03906  -0.00566 -0.01041 52  TYR A CZ   
500  O  OH   . TYR A 32 ? 0.16180 0.12333 0.10508 0.05600  0.00448  0.00294  52  TYR A OH   
501  H  H    . TYR A 32 ? 0.13329 0.13329 0.13329 -0.00000 0.00000  0.00000  52  TYR A H    
502  H  HA   . TYR A 32 ? 0.12674 0.12674 0.12674 -0.00000 0.00000  0.00000  52  TYR A HA   
503  H  HB2  . TYR A 32 ? 0.12990 0.12990 0.12990 -0.00000 0.00000  0.00000  52  TYR A HB2  
504  H  HB3  . TYR A 32 ? 0.12990 0.12990 0.12990 -0.00000 0.00000  0.00000  52  TYR A HB3  
505  H  HD1  . TYR A 32 ? 0.14206 0.14206 0.14206 -0.00000 -0.00000 0.00000  52  TYR A HD1  
506  H  HD2  . TYR A 32 ? 0.12531 0.12531 0.12531 0.00000  -0.00000 -0.00000 52  TYR A HD2  
507  H  HE1  . TYR A 32 ? 0.13959 0.13959 0.13959 -0.00000 -0.00000 -0.00000 52  TYR A HE1  
508  H  HE2  . TYR A 32 ? 0.13503 0.13503 0.13503 -0.00000 0.00000  0.00000  52  TYR A HE2  
509  H  HH   . TYR A 32 ? 0.15621 0.15621 0.15621 -0.00000 -0.00000 0.00000  52  TYR A HH   
510  N  N    . SER A 33 ? 0.14024 0.10723 0.08684 0.03690  -0.02000 -0.02267 53  SER A N    
511  C  CA   . SER A 33 ? 0.14051 0.11019 0.10364 0.03979  -0.02430 -0.02552 53  SER A CA   
512  C  C    . SER A 33 ? 0.13747 0.10071 0.10750 0.03121  -0.02307 -0.02881 53  SER A C    
513  O  O    . SER A 33 ? 0.13004 0.10451 0.10140 0.02880  -0.02000 -0.01911 53  SER A O    
514  C  CB   . SER A 33 ? 0.14929 0.12884 0.12274 0.04026  -0.03608 -0.03486 53  SER A CB   
515  O  OG   . SER A 33 ? 0.15647 0.12550 0.14188 0.03536  -0.04624 -0.04191 53  SER A OG   
516  H  H    . SER A 33 ? 0.13385 0.13385 0.13385 -0.00000 -0.00000 0.00000  53  SER A H    
517  H  HA   . SER A 33 ? 0.14187 0.14187 0.14187 -0.00000 0.00000  -0.00000 53  SER A HA   
518  H  HB2  . SER A 33 ? 0.16048 0.16048 0.16048 0.00000  -0.00000 0.00000  53  SER A HB2  
519  H  HB3  . SER A 33 ? 0.16048 0.16048 0.16048 0.00000  -0.00000 0.00000  53  SER A HB3  
520  H  HG   . SER A 33 ? 0.16967 0.16967 0.16967 0.00000  -0.00000 -0.00000 53  SER A HG   
521  N  N    . GLU A 34 ? 0.14615 0.11183 0.12769 0.03908  -0.00808 -0.01618 54  GLU A N    
522  C  CA   . GLU A 34 ? 0.15141 0.12997 0.14502 0.04057  0.01628  -0.00821 54  GLU A CA   
523  C  C    . GLU A 34 ? 0.13465 0.12679 0.15575 0.03646  0.00033  -0.00328 54  GLU A C    
524  O  O    . GLU A 34 ? 0.14153 0.12703 0.14793 0.03132  -0.00144 0.00320  54  GLU A O    
525  C  CB   . GLU A 34 ? 0.18914 0.19112 0.18227 0.06966  0.05229  0.00804  54  GLU A CB   
526  C  CG   . GLU A 34 ? 0.24781 0.26323 0.22521 0.08382  0.06938  0.02436  54  GLU A CG   
527  C  CD   . GLU A 34 ? 0.29711 0.33888 0.27615 0.07679  0.06037  0.04802  54  GLU A CD   
528  O  OE1  . GLU A 34 ? 0.32004 0.36546 0.29387 0.06736  0.05807  0.04548  54  GLU A OE1  
529  O  OE2  . GLU A 34 ? 0.31925 0.36922 0.30247 0.07909  0.04786  0.06359  54  GLU A OE2  
530  H  H    . GLU A 34 ? 0.15440 0.15440 0.15440 0.00000  0.00000  0.00000  54  GLU A H    
531  H  HA   . GLU A 34 ? 0.17069 0.17069 0.17069 0.00000  -0.00000 -0.00000 54  GLU A HA   
532  H  HB2  . GLU A 34 ? 0.22514 0.22514 0.22514 0.00000  -0.00000 0.00000  54  GLU A HB2  
533  H  HB3  . GLU A 34 ? 0.22514 0.22514 0.22514 0.00000  -0.00000 0.00000  54  GLU A HB3  
534  H  HG2  . GLU A 34 ? 0.29463 0.29463 0.29463 -0.00000 0.00000  -0.00000 54  GLU A HG2  
535  H  HG3  . GLU A 34 ? 0.29463 0.29463 0.29463 -0.00000 0.00000  -0.00000 54  GLU A HG3  
536  N  N    . PRO A 35 ? 0.13059 0.13125 0.19664 0.02721  -0.02344 -0.00075 55  PRO A N    
537  C  CA   . PRO A 35 ? 0.12877 0.13239 0.20734 0.01216  -0.03330 -0.00220 55  PRO A CA   
538  C  C    . PRO A 35 ? 0.13409 0.10995 0.17430 0.00380  -0.03531 -0.00879 55  PRO A C    
539  O  O    . PRO A 35 ? 0.14207 0.11116 0.18180 0.00277  -0.03062 -0.00545 55  PRO A O    
540  C  CB   . PRO A 35 ? 0.14708 0.16542 0.23601 -0.00141 -0.05164 0.00481  55  PRO A CB   
541  C  CG   . PRO A 35 ? 0.15643 0.17432 0.23963 0.00778  -0.05122 0.01617  55  PRO A CG   
542  C  CD   . PRO A 35 ? 0.13456 0.15836 0.22376 0.02151  -0.04514 0.01028  55  PRO A CD   
543  H  HA   . PRO A 35 ? 0.18753 0.18753 0.18753 -0.00000 0.00000  -0.00000 55  PRO A HA   
544  H  HB2  . PRO A 35 ? 0.21953 0.21953 0.21953 0.00000  0.00000  0.00000  55  PRO A HB2  
545  H  HB3  . PRO A 35 ? 0.21953 0.21953 0.21953 0.00000  0.00000  0.00000  55  PRO A HB3  
546  H  HG2  . PRO A 35 ? 0.22828 0.22828 0.22828 -0.00000 0.00000  -0.00000 55  PRO A HG2  
547  H  HG3  . PRO A 35 ? 0.22828 0.22828 0.22828 -0.00000 0.00000  -0.00000 55  PRO A HG3  
548  H  HD2  . PRO A 35 ? 0.20680 0.20680 0.20680 -0.00000 0.00000  0.00000  55  PRO A HD2  
549  H  HD3  . PRO A 35 ? 0.20680 0.20680 0.20680 -0.00000 0.00000  0.00000  55  PRO A HD3  
550  N  N    . HIS A 36 ? 0.14144 0.10629 0.14013 0.01053  -0.04176 -0.02494 56  HIS A N    
551  C  CA   . HIS A 36 ? 0.14307 0.10527 0.11960 0.02600  -0.03409 -0.03095 56  HIS A CA   
552  C  C    . HIS A 36 ? 0.13465 0.09136 0.11077 0.02265  -0.02030 -0.01945 56  HIS A C    
553  O  O    . HIS A 36 ? 0.13529 0.08816 0.11726 0.01860  -0.02095 -0.02453 56  HIS A O    
554  C  CB   . HIS A 36 ? 0.15798 0.13221 0.11621 0.04372  -0.03894 -0.04083 56  HIS A CB   
555  C  CG   . HIS A 36 ? 0.16934 0.14574 0.10701 0.05308  -0.03888 -0.04462 56  HIS A CG   
556  N  ND1  . HIS A 36 ? 0.17237 0.14301 0.11963 0.04262  -0.03692 -0.04900 56  HIS A ND1  
557  C  CD2  . HIS A 36 ? 0.18912 0.16874 0.11367 0.07084  -0.02835 -0.04907 56  HIS A CD2  
558  C  CE1  . HIS A 36 ? 0.17913 0.15996 0.11988 0.05285  -0.03305 -0.04454 56  HIS A CE1  
559  N  NE2  . HIS A 36 ? 0.19587 0.18089 0.12407 0.07034  -0.02928 -0.04463 56  HIS A NE2  
560  H  H    . HIS A 36 ? 0.15528 0.15528 0.15528 0.00000  -0.00000 0.00000  56  HIS A H    
561  H  HA   . HIS A 36 ? 0.14731 0.14731 0.14731 -0.00000 -0.00000 0.00000  56  HIS A HA   
562  H  HB2  . HIS A 36 ? 0.16269 0.16269 0.16269 -0.00000 0.00000  0.00000  56  HIS A HB2  
563  H  HB3  . HIS A 36 ? 0.16269 0.16269 0.16269 -0.00000 0.00000  0.00000  56  HIS A HB3  
564  H  HD1  . HIS A 36 ? 0.17414 0.17414 0.17414 -0.00000 0.00000  -0.00000 56  HIS A HD1  
565  H  HD2  . HIS A 36 ? 0.18874 0.18874 0.18874 0.00000  0.00000  0.00000  56  HIS A HD2  
566  H  HE1  . HIS A 36 ? 0.18372 0.18372 0.18372 -0.00000 0.00000  0.00000  56  HIS A HE1  
567  N  N    . ALA A 37 ? 0.12872 0.08068 0.10353 0.02156  -0.01841 -0.02347 57  ALA A N    
568  C  CA   . ALA A 37 ? 0.12274 0.08955 0.09783 0.01400  -0.01897 -0.01189 57  ALA A CA   
569  C  C    . ALA A 37 ? 0.12537 0.08511 0.10121 0.00704  -0.01899 -0.01463 57  ALA A C    
570  O  O    . ALA A 37 ? 0.12574 0.08840 0.10246 0.00727  -0.01040 -0.00756 57  ALA A O    
571  C  CB   . ALA A 37 ? 0.12444 0.08807 0.09881 0.01220  -0.01753 -0.01601 57  ALA A CB   
572  H  H    . ALA A 37 ? 0.12530 0.12530 0.12530 0.00000  -0.00000 -0.00000 57  ALA A H    
573  H  HA   . ALA A 37 ? 0.12418 0.12418 0.12418 0.00000  0.00000  -0.00000 57  ALA A HA   
574  H  HB1  . ALA A 37 ? 0.12466 0.12466 0.12466 0.00000  -0.00000 0.00000  57  ALA A HB1  
575  H  HB2  . ALA A 37 ? 0.12466 0.12466 0.12466 0.00000  -0.00000 0.00000  57  ALA A HB2  
576  H  HB3  . ALA A 37 ? 0.12466 0.12466 0.12466 0.00000  -0.00000 0.00000  57  ALA A HB3  
577  N  N    . THR A 38 ? 0.12328 0.09894 0.11371 0.01046  -0.00785 -0.00500 58  THR A N    
578  C  CA   . THR A 38 ? 0.11988 0.10999 0.13508 0.00931  0.00208  0.00567  58  THR A CA   
579  C  C    . THR A 38 ? 0.12058 0.10192 0.13692 0.00723  -0.00315 0.00641  58  THR A C    
580  O  O    . THR A 38 ? 0.12455 0.10237 0.14005 0.00441  0.00612  0.00592  58  THR A O    
581  C  CB   . THR A 38 ? 0.13529 0.13054 0.17561 0.02064  0.01714  0.00860  58  THR A CB   
582  O  OG1  . THR A 38 ? 0.15766 0.13630 0.20371 0.03456  0.03214  0.01203  58  THR A OG1  
583  C  CG2  . THR A 38 ? 0.14457 0.15228 0.19712 0.01977  0.02966  0.01886  58  THR A CG2  
584  H  H    . THR A 38 ? 0.13451 0.13451 0.13451 0.00000  -0.00000 -0.00000 58  THR A H    
585  H  HA   . THR A 38 ? 0.14611 0.14611 0.14611 -0.00000 -0.00000 0.00000  58  THR A HA   
586  H  HB   . THR A 38 ? 0.17671 0.17671 0.17671 0.00000  0.00000  0.00000  58  THR A HB   
587  H  HG1  . THR A 38 ? 0.19920 0.19920 0.19920 -0.00000 0.00000  -0.00000 58  THR A HG1  
588  H  HG21 . THR A 38 ? 0.19772 0.19772 0.19772 0.00000  0.00000  -0.00000 58  THR A HG21 
589  H  HG22 . THR A 38 ? 0.19772 0.19772 0.19772 0.00000  0.00000  -0.00000 58  THR A HG22 
590  H  HG23 . THR A 38 ? 0.19772 0.19772 0.19772 0.00000  0.00000  -0.00000 58  THR A HG23 
591  N  N    . LYS A 39 ? 0.12187 0.09732 0.14249 0.00076  -0.00862 0.00167  59  LYS A N    
592  C  CA   A LYS A 39 ? 0.13219 0.09653 0.14986 -0.00381 -0.00870 -0.00669 59  LYS A CA   
593  C  CA   B LYS A 39 ? 0.13522 0.09821 0.14625 -0.00505 -0.01227 -0.00318 59  LYS A CA   
594  C  C    . LYS A 39 ? 0.13340 0.08359 0.13568 0.00001  -0.00388 -0.00421 59  LYS A C    
595  O  O    . LYS A 39 ? 0.13401 0.08591 0.15072 0.00229  0.00527  0.00922  59  LYS A O    
596  C  CB   A LYS A 39 ? 0.15975 0.10483 0.17582 -0.00367 -0.02677 -0.02031 59  LYS A CB   
597  C  CB   B LYS A 39 ? 0.16779 0.11040 0.16571 -0.00639 -0.03560 -0.00971 59  LYS A CB   
598  C  CG   A LYS A 39 ? 0.19597 0.12262 0.19867 -0.00799 -0.04094 -0.03595 59  LYS A CG   
599  C  CG   B LYS A 39 ? 0.20956 0.13193 0.18607 -0.01069 -0.05100 -0.01882 59  LYS A CG   
600  C  CD   A LYS A 39 ? 0.23358 0.15160 0.22922 -0.01638 -0.04550 -0.04996 59  LYS A CD   
601  C  CD   B LYS A 39 ? 0.25463 0.16914 0.21233 -0.00976 -0.04578 -0.02245 59  LYS A CD   
602  C  CE   A LYS A 39 ? 0.27247 0.19556 0.26369 -0.01417 -0.03860 -0.04573 59  LYS A CE   
603  C  CE   B LYS A 39 ? 0.28939 0.21045 0.24093 -0.01208 -0.03959 -0.02020 59  LYS A CE   
604  N  NZ   A LYS A 39 ? 0.29289 0.22329 0.28526 -0.01238 -0.03501 -0.03914 59  LYS A NZ   
605  N  NZ   B LYS A 39 ? 0.30632 0.22999 0.25377 -0.01398 -0.03561 -0.01550 59  LYS A NZ   
606  H  H    . LYS A 39 ? 0.14481 0.14481 0.14481 0.00000  -0.00000 -0.00000 59  LYS A H    
607  H  HA   . LYS A 39 ? 0.15201 0.15201 0.15201 0.00000  0.00000  -0.00000 59  LYS A HA   
608  H  HB2  A LYS A 39 ? 0.17629 0.17629 0.17629 0.00000  -0.00000 -0.00000 59  LYS A HB2  
609  H  HB2  B LYS A 39 ? 0.17769 0.17769 0.17769 0.00000  -0.00000 0.00000  59  LYS A HB2  
610  H  HB3  A LYS A 39 ? 0.17629 0.17629 0.17629 0.00000  -0.00000 -0.00000 59  LYS A HB3  
611  H  HB3  B LYS A 39 ? 0.17769 0.17769 0.17769 0.00000  -0.00000 0.00000  59  LYS A HB3  
612  H  HG2  A LYS A 39 ? 0.20704 0.20704 0.20704 0.00000  -0.00000 -0.00000 59  LYS A HG2  
613  H  HG2  B LYS A 39 ? 0.21116 0.21116 0.21116 0.00000  0.00000  0.00000  59  LYS A HG2  
614  H  HG3  A LYS A 39 ? 0.20704 0.20704 0.20704 0.00000  -0.00000 -0.00000 59  LYS A HG3  
615  H  HG3  B LYS A 39 ? 0.21116 0.21116 0.21116 0.00000  0.00000  0.00000  59  LYS A HG3  
616  H  HD2  A LYS A 39 ? 0.24589 0.24589 0.24589 0.00000  0.00000  -0.00000 59  LYS A HD2  
617  H  HD2  B LYS A 39 ? 0.25457 0.25457 0.25457 0.00000  -0.00000 -0.00000 59  LYS A HD2  
618  H  HD3  A LYS A 39 ? 0.24589 0.24589 0.24589 0.00000  0.00000  -0.00000 59  LYS A HD3  
619  H  HD3  B LYS A 39 ? 0.25457 0.25457 0.25457 0.00000  -0.00000 -0.00000 59  LYS A HD3  
620  H  HE2  A LYS A 39 ? 0.29282 0.29282 0.29282 0.00000  -0.00000 0.00000  59  LYS A HE2  
621  H  HE2  B LYS A 39 ? 0.29644 0.29644 0.29644 -0.00000 -0.00000 0.00000  59  LYS A HE2  
622  H  HE3  A LYS A 39 ? 0.29282 0.29282 0.29282 0.00000  -0.00000 0.00000  59  LYS A HE3  
623  H  HE3  B LYS A 39 ? 0.29644 0.29644 0.29644 -0.00000 -0.00000 0.00000  59  LYS A HE3  
624  H  HZ1  A LYS A 39 ? 0.32071 0.32071 0.32071 0.00000  -0.00000 0.00000  59  LYS A HZ1  
625  H  HZ1  B LYS A 39 ? 0.31616 0.31616 0.31616 0.00000  0.00000  0.00000  59  LYS A HZ1  
626  H  HZ2  A LYS A 39 ? 0.32071 0.32071 0.32071 0.00000  -0.00000 0.00000  59  LYS A HZ2  
627  H  HZ2  B LYS A 39 ? 0.31616 0.31616 0.31616 0.00000  0.00000  0.00000  59  LYS A HZ2  
628  H  HZ3  A LYS A 39 ? 0.32071 0.32071 0.32071 0.00000  -0.00000 0.00000  59  LYS A HZ3  
629  H  HZ3  B LYS A 39 ? 0.31616 0.31616 0.31616 0.00000  0.00000  0.00000  59  LYS A HZ3  
630  N  N    . LEU A 40 ? 0.13255 0.07378 0.11694 0.00395  -0.00293 -0.00013 60  LEU A N    
631  C  CA   . LEU A 40 ? 0.12842 0.06662 0.11011 0.01358  0.00040  -0.00181 60  LEU A CA   
632  C  C    . LEU A 40 ? 0.11907 0.07110 0.11636 0.00636  0.00705  0.00608  60  LEU A C    
633  O  O    . LEU A 40 ? 0.12390 0.07425 0.12016 0.00800  0.00497  0.00334  60  LEU A O    
634  C  CB   . LEU A 40 ? 0.12940 0.07478 0.11047 0.01220  0.00042  -0.00284 60  LEU A CB   
635  C  CG   . LEU A 40 ? 0.13767 0.09017 0.11724 0.01354  0.00043  -0.00244 60  LEU A CG   
636  C  CD1  . LEU A 40 ? 0.13817 0.11065 0.12581 0.00792  -0.00138 0.00087  60  LEU A CD1  
637  C  CD2  . LEU A 40 ? 0.17132 0.10813 0.13365 0.00824  0.01931  -0.01958 60  LEU A CD2  
638  H  H    . LEU A 40 ? 0.12944 0.12944 0.12944 -0.00000 0.00000  0.00000  60  LEU A H    
639  H  HA   . LEU A 40 ? 0.12219 0.12219 0.12219 -0.00000 -0.00000 0.00000  60  LEU A HA   
640  H  HB2  . LEU A 40 ? 0.12599 0.12599 0.12599 0.00000  0.00000  0.00000  60  LEU A HB2  
641  H  HB3  . LEU A 40 ? 0.12599 0.12599 0.12599 0.00000  0.00000  0.00000  60  LEU A HB3  
642  H  HG   . LEU A 40 ? 0.13816 0.13816 0.13816 0.00000  0.00000  0.00000  60  LEU A HG   
643  H  HD11 . LEU A 40 ? 0.14998 0.14998 0.14998 0.00000  -0.00000 0.00000  60  LEU A HD11 
644  H  HD12 . LEU A 40 ? 0.14998 0.14998 0.14998 0.00000  -0.00000 0.00000  60  LEU A HD12 
645  H  HD13 . LEU A 40 ? 0.14998 0.14998 0.14998 0.00000  -0.00000 0.00000  60  LEU A HD13 
646  H  HD21 . LEU A 40 ? 0.16537 0.16537 0.16537 0.00000  0.00000  0.00000  60  LEU A HD21 
647  H  HD22 . LEU A 40 ? 0.16537 0.16537 0.16537 0.00000  0.00000  0.00000  60  LEU A HD22 
648  H  HD23 . LEU A 40 ? 0.16537 0.16537 0.16537 0.00000  0.00000  0.00000  60  LEU A HD23 
649  N  N    . MET A 41 ? 0.11836 0.07372 0.11022 0.00631  -0.00442 0.00343  61  MET A N    
650  C  CA   . MET A 41 ? 0.12005 0.08062 0.10577 0.00338  0.00598  0.00431  61  MET A CA   
651  C  C    . MET A 41 ? 0.12089 0.08484 0.10926 0.00501  0.00591  0.00707  61  MET A C    
652  O  O    . MET A 41 ? 0.12880 0.08763 0.11321 0.01367  0.01378  0.00965  61  MET A O    
653  C  CB   . MET A 41 ? 0.12808 0.07359 0.11573 0.00969  0.00390  -0.00056 61  MET A CB   
654  C  CG   . MET A 41 ? 0.14497 0.09192 0.11420 0.01073  0.00987  -0.00228 61  MET A CG   
655  S  SD   . MET A 41 ? 0.15821 0.10515 0.12473 0.01545  0.02659  0.00947  61  MET A SD   
656  C  CE   . MET A 41 ? 0.15401 0.12355 0.15322 0.01426  0.02629  0.00325  61  MET A CE   
657  H  H    . MET A 41 ? 0.12105 0.12105 0.12105 -0.00000 0.00000  0.00000  61  MET A H    
658  H  HA   . MET A 41 ? 0.12271 0.12271 0.12271 0.00000  -0.00000 0.00000  61  MET A HA   
659  H  HB2  . MET A 41 ? 0.12709 0.12709 0.12709 -0.00000 -0.00000 0.00000  61  MET A HB2  
660  H  HB3  . MET A 41 ? 0.12709 0.12709 0.12709 -0.00000 -0.00000 0.00000  61  MET A HB3  
661  H  HG2  . MET A 41 ? 0.14056 0.14056 0.14056 -0.00000 -0.00000 -0.00000 61  MET A HG2  
662  H  HG3  . MET A 41 ? 0.14056 0.14056 0.14056 -0.00000 -0.00000 -0.00000 61  MET A HG3  
663  H  HE1  . MET A 41 ? 0.17244 0.17244 0.17244 0.00000  -0.00000 -0.00000 61  MET A HE1  
664  H  HE2  . MET A 41 ? 0.17244 0.17244 0.17244 0.00000  -0.00000 -0.00000 61  MET A HE2  
665  H  HE3  . MET A 41 ? 0.17244 0.17244 0.17244 0.00000  -0.00000 -0.00000 61  MET A HE3  
666  N  N    . LEU A 42 ? 0.13185 0.08686 0.12130 0.00852  0.01275  0.01315  62  LEU A N    
667  C  CA   . LEU A 42 ? 0.13836 0.09524 0.14100 -0.00711 0.01985  0.01818  62  LEU A CA   
668  C  C    . LEU A 42 ? 0.13705 0.09211 0.12984 -0.01150 0.01007  0.01531  62  LEU A C    
669  O  O    . LEU A 42 ? 0.13908 0.10131 0.14903 -0.00270 0.00927  0.02570  62  LEU A O    
670  C  CB   . LEU A 42 ? 0.13875 0.10781 0.16963 0.00304  0.02688  0.01270  62  LEU A CB   
671  C  CG   . LEU A 42 ? 0.13549 0.13955 0.19194 0.01040  0.03835  0.00375  62  LEU A CG   
672  C  CD1  . LEU A 42 ? 0.14248 0.17127 0.21070 0.00221  0.03201  0.00604  62  LEU A CD1  
673  C  CD2  . LEU A 42 ? 0.16502 0.15963 0.19703 0.00577  0.04485  0.00365  62  LEU A CD2  
674  H  H    . LEU A 42 ? 0.13613 0.13613 0.13613 -0.00000 -0.00000 -0.00000 62  LEU A H    
675  H  HA   . LEU A 42 ? 0.14997 0.14997 0.14997 0.00000  0.00000  -0.00000 62  LEU A HA   
676  H  HB2  . LEU A 42 ? 0.16660 0.16660 0.16660 0.00000  0.00000  0.00000  62  LEU A HB2  
677  H  HB3  . LEU A 42 ? 0.16660 0.16660 0.16660 0.00000  0.00000  0.00000  62  LEU A HB3  
678  H  HG   . LEU A 42 ? 0.18692 0.18692 0.18692 -0.00000 -0.00000 0.00000  62  LEU A HG   
679  H  HD11 . LEU A 42 ? 0.20991 0.20991 0.20991 0.00000  0.00000  0.00000  62  LEU A HD11 
680  H  HD12 . LEU A 42 ? 0.20991 0.20991 0.20991 0.00000  0.00000  0.00000  62  LEU A HD12 
681  H  HD13 . LEU A 42 ? 0.20991 0.20991 0.20991 0.00000  0.00000  0.00000  62  LEU A HD13 
682  H  HD21 . LEU A 42 ? 0.20880 0.20880 0.20880 0.00000  -0.00000 0.00000  62  LEU A HD21 
683  H  HD22 . LEU A 42 ? 0.20880 0.20880 0.20880 0.00000  -0.00000 0.00000  62  LEU A HD22 
684  H  HD23 . LEU A 42 ? 0.20880 0.20880 0.20880 0.00000  -0.00000 0.00000  62  LEU A HD23 
685  N  N    . GLN A 43 ? 0.13454 0.08444 0.12745 -0.00008 -0.00039 0.01043  63  GLN A N    
686  C  CA   . GLN A 43 ? 0.15052 0.07984 0.13502 -0.00900 0.00056  0.00077  63  GLN A CA   
687  C  C    . GLN A 43 ? 0.14058 0.08032 0.13305 0.00269  0.01059  0.01162  63  GLN A C    
688  O  O    . GLN A 43 ? 0.15422 0.08848 0.14553 0.00703  0.00613  0.02346  63  GLN A O    
689  C  CB   . GLN A 43 ? 0.15729 0.08139 0.14984 -0.00066 -0.00728 -0.01061 63  GLN A CB   
690  C  CG   . GLN A 43 ? 0.19679 0.11719 0.17669 0.00919  0.00668  -0.01898 63  GLN A CG   
691  C  CD   . GLN A 43 ? 0.23475 0.15856 0.19110 0.02120  0.01417  -0.03081 63  GLN A CD   
692  O  OE1  . GLN A 43 ? 0.23873 0.17718 0.18534 0.00061  0.00276  -0.02835 63  GLN A OE1  
693  N  NE2  . GLN A 43 ? 0.27005 0.18904 0.20949 0.05012  0.02555  -0.03542 63  GLN A NE2  
694  H  H    . GLN A 43 ? 0.13870 0.13870 0.13870 -0.00000 -0.00000 -0.00000 63  GLN A H    
695  H  HA   . GLN A 43 ? 0.14628 0.14628 0.14628 0.00000  -0.00000 0.00000  63  GLN A HA   
696  H  HB2  . GLN A 43 ? 0.15554 0.15554 0.15554 0.00000  -0.00000 0.00000  63  GLN A HB2  
697  H  HB3  . GLN A 43 ? 0.15554 0.15554 0.15554 0.00000  -0.00000 0.00000  63  GLN A HB3  
698  H  HG2  . GLN A 43 ? 0.19640 0.19640 0.19640 0.00000  0.00000  0.00000  63  GLN A HG2  
699  H  HG3  . GLN A 43 ? 0.19640 0.19640 0.19640 0.00000  0.00000  0.00000  63  GLN A HG3  
700  H  HE21 . GLN A 43 ? 0.26756 0.26756 0.26756 -0.00000 -0.00000 0.00000  63  GLN A HE21 
701  H  HE22 . GLN A 43 ? 0.26756 0.26756 0.26756 -0.00000 -0.00000 0.00000  63  GLN A HE22 
702  N  N    . VAL A 44 ? 0.13435 0.07862 0.12953 0.00027  0.00310  0.01881  64  VAL A N    
703  C  CA   . VAL A 44 ? 0.13171 0.08522 0.12459 0.00265  -0.00257 0.01601  64  VAL A CA   
704  C  C    . VAL A 44 ? 0.14137 0.08989 0.12504 0.00161  0.00129  0.02458  64  VAL A C    
705  O  O    . VAL A 44 ? 0.15086 0.10163 0.13291 0.00447  -0.00116 0.03673  64  VAL A O    
706  C  CB   . VAL A 44 ? 0.13441 0.08977 0.11987 -0.00318 -0.00614 0.02278  64  VAL A CB   
707  C  CG1  . VAL A 44 ? 0.16000 0.12377 0.12560 -0.01225 -0.01302 0.02560  64  VAL A CG1  
708  C  CG2  . VAL A 44 ? 0.12936 0.09747 0.12859 -0.00119 -0.00580 0.02685  64  VAL A CG2  
709  H  H    . VAL A 44 ? 0.13713 0.13713 0.13713 -0.00000 -0.00000 -0.00000 64  VAL A H    
710  H  HA   . VAL A 44 ? 0.13674 0.13674 0.13674 0.00000  0.00000  -0.00000 64  VAL A HA   
711  H  HB   . VAL A 44 ? 0.13775 0.13775 0.13775 -0.00000 0.00000  0.00000  64  VAL A HB   
712  H  HG11 . VAL A 44 ? 0.16388 0.16388 0.16388 -0.00000 0.00000  0.00000  64  VAL A HG11 
713  H  HG12 . VAL A 44 ? 0.16388 0.16388 0.16388 -0.00000 0.00000  0.00000  64  VAL A HG12 
714  H  HG13 . VAL A 44 ? 0.16388 0.16388 0.16388 -0.00000 0.00000  0.00000  64  VAL A HG13 
715  H  HG21 . VAL A 44 ? 0.14230 0.14230 0.14230 -0.00000 0.00000  -0.00000 64  VAL A HG21 
716  H  HG22 . VAL A 44 ? 0.14230 0.14230 0.14230 -0.00000 0.00000  -0.00000 64  VAL A HG22 
717  H  HG23 . VAL A 44 ? 0.14230 0.14230 0.14230 -0.00000 0.00000  -0.00000 64  VAL A HG23 
718  N  N    . HIS A 45 ? 0.15183 0.10638 0.12574 0.00817  0.01107  0.02547  65  HIS A N    
719  C  CA   A HIS A 45 ? 0.18535 0.13505 0.14238 0.01175  0.02234  0.03599  65  HIS A CA   
720  C  CA   B HIS A 45 ? 0.15494 0.10939 0.11042 0.00460  0.01625  0.02462  65  HIS A CA   
721  C  C    . HIS A 45 ? 0.17395 0.12266 0.13491 -0.00059 0.01758  0.03505  65  HIS A C    
722  O  O    . HIS A 45 ? 0.20002 0.13586 0.15147 -0.00189 0.01292  0.04839  65  HIS A O    
723  C  CB   A HIS A 45 ? 0.24028 0.19401 0.18109 0.02708  0.02450  0.04144  65  HIS A CB   
724  C  CB   B HIS A 45 ? 0.15006 0.11882 0.09267 0.00788  0.00534  0.01302  65  HIS A CB   
725  C  CG   A HIS A 45 ? 0.29894 0.25797 0.22127 0.03396  0.02583  0.04683  65  HIS A CG   
726  C  CG   B HIS A 45 ? 0.14614 0.14066 0.09117 -0.01301 -0.00417 0.00350  65  HIS A CG   
727  N  ND1  A HIS A 45 ? 0.32701 0.29002 0.24311 0.03275  0.02688  0.04987  65  HIS A ND1  
728  N  ND1  B HIS A 45 ? 0.14845 0.16631 0.09800 -0.01763 0.01254  0.00536  65  HIS A ND1  
729  C  CD2  A HIS A 45 ? 0.32678 0.28412 0.24594 0.03572  0.01706  0.04906  65  HIS A CD2  
730  C  CD2  B HIS A 45 ? 0.14475 0.14877 0.10637 -0.02297 -0.01117 -0.00988 65  HIS A CD2  
731  C  CE1  A HIS A 45 ? 0.33856 0.30069 0.25259 0.03497  0.02316  0.05451  65  HIS A CE1  
732  C  CE1  B HIS A 45 ? 0.15325 0.17424 0.10401 -0.02712 0.01160  -0.00903 65  HIS A CE1  
733  N  NE2  A HIS A 45 ? 0.33859 0.29402 0.25398 0.03977  0.01463  0.05685  65  HIS A NE2  
734  N  NE2  B HIS A 45 ? 0.15522 0.16612 0.11678 -0.03113 -0.00298 -0.01527 65  HIS A NE2  
735  H  H    A HIS A 45 ? 0.15371 0.15371 0.15371 0.00000  0.00000  0.00000  65  HIS A H    
736  H  H    B HIS A 45 ? 0.15371 0.15371 0.15371 0.00000  0.00000  0.00000  65  HIS A H    
737  H  HA   . HIS A 45 ? 0.15003 0.15003 0.15003 0.00000  -0.00000 0.00000  65  HIS A HA   
738  H  HB2  A HIS A 45 ? 0.24628 0.24628 0.24628 0.00000  0.00000  -0.00000 65  HIS A HB2  
739  H  HB2  B HIS A 45 ? 0.14475 0.14475 0.14475 -0.00000 0.00000  0.00000  65  HIS A HB2  
740  H  HB3  A HIS A 45 ? 0.24628 0.24628 0.24628 0.00000  0.00000  -0.00000 65  HIS A HB3  
741  H  HB3  B HIS A 45 ? 0.14475 0.14475 0.14475 -0.00000 0.00000  0.00000  65  HIS A HB3  
742  H  HD1  A HIS A 45 ? 0.34419 0.34419 0.34419 0.00000  0.00000  0.00000  65  HIS A HD1  
743  H  HD2  A HIS A 45 ? 0.34287 0.34287 0.34287 0.00000  0.00000  -0.00000 65  HIS A HD2  
744  H  HD2  B HIS A 45 ? 0.16009 0.16009 0.16009 0.00000  -0.00000 0.00000  65  HIS A HD2  
745  H  HE1  A HIS A 45 ? 0.35687 0.35687 0.35687 0.00000  0.00000  -0.00000 65  HIS A HE1  
746  H  HE1  B HIS A 45 ? 0.17273 0.17273 0.17273 -0.00000 -0.00000 -0.00000 65  HIS A HE1  
747  H  HE2  B HIS A 45 ? 0.17538 0.17538 0.17538 0.00000  0.00000  0.00000  65  HIS A HE2  
748  N  N    . ASN A 46 ? 0.16708 0.11224 0.14277 -0.01144 0.01888  0.03693  66  ASN A N    
749  C  CA   . ASN A 46 ? 0.17605 0.12330 0.17193 -0.01721 0.02184  0.04475  66  ASN A CA   
750  C  C    . ASN A 46 ? 0.18829 0.10014 0.19708 -0.02234 0.02245  0.05085  66  ASN A C    
751  O  O    . ASN A 46 ? 0.22845 0.11687 0.22563 -0.00588 0.04242  0.06884  66  ASN A O    
752  C  CB   . ASN A 46 ? 0.17567 0.15087 0.18625 -0.03052 0.01110  0.04686  66  ASN A CB   
753  C  CG   . ASN A 46 ? 0.18476 0.18442 0.16649 -0.03854 0.00141  0.04778  66  ASN A CG   
754  O  OD1  . ASN A 46 ? 0.21425 0.22704 0.17935 -0.02400 0.00487  0.04922  66  ASN A OD1  
755  N  ND2  . ASN A 46 ? 0.17681 0.18811 0.16674 -0.04977 0.00024  0.03505  66  ASN A ND2  
756  H  H    . ASN A 46 ? 0.16896 0.16896 0.16896 0.00000  -0.00000 -0.00000 66  ASN A H    
757  H  HA   . ASN A 46 ? 0.18865 0.18865 0.18865 -0.00000 -0.00000 0.00000  66  ASN A HA   
758  H  HB2  . ASN A 46 ? 0.20525 0.20525 0.20525 0.00000  -0.00000 0.00000  66  ASN A HB2  
759  H  HB3  . ASN A 46 ? 0.20525 0.20525 0.20525 0.00000  -0.00000 0.00000  66  ASN A HB3  
760  H  HD21 . ASN A 46 ? 0.21280 0.21280 0.21280 0.00000  0.00000  0.00000  66  ASN A HD21 
761  H  HD22 . ASN A 46 ? 0.21280 0.21280 0.21280 0.00000  0.00000  0.00000  66  ASN A HD22 
762  N  N    . GLU A 47 ? 0.17540 0.10043 0.18242 -0.00356 0.01089  0.04509  67  GLU A N    
763  C  CA   . GLU A 47 ? 0.17529 0.09179 0.18680 -0.00630 0.00092  0.03329  67  GLU A CA   
764  C  C    . GLU A 47 ? 0.17312 0.09492 0.18574 0.00692  -0.00681 0.03669  67  GLU A C    
765  O  O    . GLU A 47 ? 0.19383 0.12144 0.22609 0.01926  -0.01516 0.01098  67  GLU A O    
766  C  CB   . GLU A 47 ? 0.18922 0.11027 0.20784 -0.00487 -0.00104 0.01702  67  GLU A CB   
767  C  CG   . GLU A 47 ? 0.20985 0.13619 0.23932 -0.00808 -0.02023 0.00808  67  GLU A CG   
768  C  CD   . GLU A 47 ? 0.23303 0.15801 0.27760 -0.00898 -0.03009 0.00980  67  GLU A CD   
769  O  OE1  . GLU A 47 ? 0.25680 0.15753 0.30478 -0.01072 -0.02467 0.00517  67  GLU A OE1  
770  O  OE2  . GLU A 47 ? 0.24108 0.18872 0.28313 -0.00807 -0.02834 0.02889  67  GLU A OE2  
771  H  H    . GLU A 47 ? 0.18344 0.18344 0.18344 0.00000  -0.00000 -0.00000 67  GLU A H    
772  H  HA   . GLU A 47 ? 0.18168 0.18168 0.18168 0.00000  -0.00000 0.00000  67  GLU A HA   
773  H  HB2  . GLU A 47 ? 0.20306 0.20306 0.20306 -0.00000 0.00000  0.00000  67  GLU A HB2  
774  H  HB3  . GLU A 47 ? 0.20306 0.20306 0.20306 -0.00000 0.00000  0.00000  67  GLU A HB3  
775  H  HG2  . GLU A 47 ? 0.23427 0.23427 0.23427 -0.00000 -0.00000 0.00000  67  GLU A HG2  
776  H  HG3  . GLU A 47 ? 0.23427 0.23427 0.23427 -0.00000 -0.00000 0.00000  67  GLU A HG3  
777  N  N    . GLY A 48 ? 0.15661 0.09194 0.15718 -0.00234 0.00076  0.04321  68  GLY A N    
778  C  CA   . GLY A 48 ? 0.15471 0.10437 0.14434 0.00011  -0.00079 0.04309  68  GLY A CA   
779  C  C    . GLY A 48 ? 0.14393 0.08722 0.13491 0.00523  -0.00942 0.03013  68  GLY A C    
780  O  O    . GLY A 48 ? 0.14892 0.09809 0.12941 -0.00503 -0.01589 0.02625  68  GLY A O    
781  H  H    . GLY A 48 ? 0.16242 0.16242 0.16242 -0.00000 -0.00000 -0.00000 68  GLY A H    
782  H  HA2  . GLY A 48 ? 0.16150 0.16150 0.16150 0.00000  0.00000  0.00000  68  GLY A HA2  
783  H  HA3  . GLY A 48 ? 0.16150 0.16150 0.16150 0.00000  0.00000  0.00000  68  GLY A HA3  
784  N  N    . LYS A 49 ? 0.14607 0.07608 0.13761 -0.01668 -0.00099 0.02900  69  LYS A N    
785  C  CA   . LYS A 49 ? 0.14281 0.08348 0.13500 -0.00897 -0.00232 0.02383  69  LYS A CA   
786  C  C    . LYS A 49 ? 0.13881 0.07647 0.12196 -0.01116 0.00084  0.00544  69  LYS A C    
787  O  O    . LYS A 49 ? 0.15148 0.09490 0.13749 -0.03227 0.00088  0.00760  69  LYS A O    
788  C  CB   . LYS A 49 ? 0.16004 0.11815 0.16509 0.01258  0.00024  0.02532  69  LYS A CB   
789  C  CG   . LYS A 49 ? 0.20720 0.17270 0.22535 0.04640  0.00582  0.00324  69  LYS A CG   
790  C  CD   . LYS A 49 ? 0.25192 0.23298 0.28743 0.07198  0.00241  -0.02035 69  LYS A CD   
791  C  CE   . LYS A 49 ? 0.28925 0.28970 0.33204 0.08371  0.00464  -0.03947 69  LYS A CE   
792  N  NZ   . LYS A 49 ? 0.31170 0.32227 0.35765 0.08911  0.00634  -0.05002 69  LYS A NZ   
793  H  H    . LYS A 49 ? 0.14404 0.14404 0.14404 -0.00000 0.00000  0.00000  69  LYS A H    
794  H  HA   . LYS A 49 ? 0.14465 0.14465 0.14465 0.00000  -0.00000 -0.00000 69  LYS A HA   
795  H  HB2  . LYS A 49 ? 0.17744 0.17744 0.17744 0.00000  -0.00000 0.00000  69  LYS A HB2  
796  H  HB3  . LYS A 49 ? 0.17744 0.17744 0.17744 0.00000  -0.00000 0.00000  69  LYS A HB3  
797  H  HG2  . LYS A 49 ? 0.24224 0.24224 0.24224 -0.00000 0.00000  0.00000  69  LYS A HG2  
798  H  HG3  . LYS A 49 ? 0.24224 0.24224 0.24224 -0.00000 0.00000  0.00000  69  LYS A HG3  
799  H  HD2  . LYS A 49 ? 0.30906 0.30906 0.30906 0.00000  0.00000  0.00000  69  LYS A HD2  
800  H  HD3  . LYS A 49 ? 0.30906 0.30906 0.30906 0.00000  0.00000  0.00000  69  LYS A HD3  
801  H  HE2  . LYS A 49 ? 0.36453 0.36453 0.36453 0.00000  -0.00000 0.00000  69  LYS A HE2  
802  H  HE3  . LYS A 49 ? 0.36453 0.36453 0.36453 0.00000  -0.00000 0.00000  69  LYS A HE3  
803  H  HZ1  . LYS A 49 ? 0.39678 0.39678 0.39678 0.00000  -0.00000 0.00000  69  LYS A HZ1  
804  H  HZ2  . LYS A 49 ? 0.39678 0.39678 0.39678 0.00000  -0.00000 0.00000  69  LYS A HZ2  
805  H  HZ3  . LYS A 49 ? 0.39678 0.39678 0.39678 0.00000  -0.00000 0.00000  69  LYS A HZ3  
806  N  N    . ALA A 50 ? 0.13264 0.08013 0.12111 -0.01728 -0.00317 0.00658  70  ALA A N    
807  C  CA   . ALA A 50 ? 0.12604 0.09247 0.11861 -0.01952 -0.00502 -0.00160 70  ALA A CA   
808  C  C    . ALA A 50 ? 0.12105 0.07775 0.11445 -0.00277 -0.00780 -0.00690 70  ALA A C    
809  O  O    . ALA A 50 ? 0.12529 0.08065 0.10474 -0.00749 -0.01677 0.00182  70  ALA A O    
810  C  CB   . ALA A 50 ? 0.13119 0.13418 0.11959 -0.01745 -0.00904 0.00052  70  ALA A CB   
811  H  H    . ALA A 50 ? 0.13369 0.13369 0.13369 0.00000  -0.00000 0.00000  70  ALA A H    
812  H  HA   . ALA A 50 ? 0.13498 0.13498 0.13498 0.00000  -0.00000 -0.00000 70  ALA A HA   
813  H  HB1  . ALA A 50 ? 0.15411 0.15411 0.15411 0.00000  -0.00000 -0.00000 70  ALA A HB1  
814  H  HB2  . ALA A 50 ? 0.15411 0.15411 0.15411 0.00000  -0.00000 -0.00000 70  ALA A HB2  
815  H  HB3  . ALA A 50 ? 0.15411 0.15411 0.15411 0.00000  -0.00000 -0.00000 70  ALA A HB3  
816  N  N    . VAL A 51 ? 0.13851 0.07590 0.12481 -0.00914 0.00203  -0.01424 71  VAL A N    
817  C  CA   . VAL A 51 ? 0.12371 0.08200 0.11684 0.00448  0.00285  -0.02306 71  VAL A CA   
818  C  C    . VAL A 51 ? 0.11859 0.08546 0.11527 0.00534  0.00240  -0.02527 71  VAL A C    
819  O  O    . VAL A 51 ? 0.12101 0.10033 0.16403 0.00118  -0.00431 -0.02870 71  VAL A O    
820  C  CB   . VAL A 51 ? 0.13908 0.09767 0.12581 0.00965  -0.00186 -0.02654 71  VAL A CB   
821  C  CG1  . VAL A 51 ? 0.15356 0.11385 0.12217 0.00796  0.00195  -0.03895 71  VAL A CG1  
822  C  CG2  . VAL A 51 ? 0.16693 0.09771 0.14449 0.02358  -0.00360 -0.02785 71  VAL A CG2  
823  H  H    . VAL A 51 ? 0.13582 0.13582 0.13582 -0.00000 -0.00000 0.00000  71  VAL A H    
824  H  HA   . VAL A 51 ? 0.12915 0.12915 0.12915 0.00000  0.00000  0.00000  71  VAL A HA   
825  H  HB   . VAL A 51 ? 0.14516 0.14516 0.14516 -0.00000 0.00000  0.00000  71  VAL A HB   
826  H  HG11 . VAL A 51 ? 0.15596 0.15596 0.15596 -0.00000 -0.00000 0.00000  71  VAL A HG11 
827  H  HG12 . VAL A 51 ? 0.15596 0.15596 0.15596 -0.00000 -0.00000 0.00000  71  VAL A HG12 
828  H  HG13 . VAL A 51 ? 0.15596 0.15596 0.15596 -0.00000 -0.00000 0.00000  71  VAL A HG13 
829  H  HG21 . VAL A 51 ? 0.16378 0.16378 0.16378 -0.00000 -0.00000 0.00000  71  VAL A HG21 
830  H  HG22 . VAL A 51 ? 0.16378 0.16378 0.16378 -0.00000 -0.00000 0.00000  71  VAL A HG22 
831  H  HG23 . VAL A 51 ? 0.16378 0.16378 0.16378 -0.00000 -0.00000 0.00000  71  VAL A HG23 
832  N  N    . VAL A 52 ? 0.11733 0.08387 0.09974 0.00851  -0.00242 -0.01125 72  VAL A N    
833  C  CA   . VAL A 52 ? 0.11894 0.08589 0.10284 0.01591  -0.00838 -0.00721 72  VAL A CA   
834  C  C    . VAL A 52 ? 0.13134 0.11149 0.10387 0.02720  -0.01686 -0.01075 72  VAL A C    
835  O  O    . VAL A 52 ? 0.15498 0.14019 0.10780 0.04365  -0.00744 0.00480  72  VAL A O    
836  C  CB   . VAL A 52 ? 0.13398 0.08717 0.09981 0.01611  -0.00619 -0.00658 72  VAL A CB   
837  C  CG1  . VAL A 52 ? 0.13544 0.09417 0.10422 0.01415  0.00276  -0.01635 72  VAL A CG1  
838  C  CG2  . VAL A 52 ? 0.14116 0.09166 0.10342 0.00764  -0.00733 -0.01437 72  VAL A CG2  
839  H  H    . VAL A 52 ? 0.12051 0.12051 0.12051 -0.00000 0.00000  -0.00000 72  VAL A H    
840  H  HA   . VAL A 52 ? 0.12319 0.12319 0.12319 0.00000  -0.00000 -0.00000 72  VAL A HA   
841  H  HB   . VAL A 52 ? 0.12852 0.12852 0.12852 -0.00000 0.00000  -0.00000 72  VAL A HB   
842  H  HG11 . VAL A 52 ? 0.13366 0.13366 0.13366 -0.00000 -0.00000 -0.00000 72  VAL A HG11 
843  H  HG12 . VAL A 52 ? 0.13366 0.13366 0.13366 -0.00000 -0.00000 -0.00000 72  VAL A HG12 
844  H  HG13 . VAL A 52 ? 0.13366 0.13366 0.13366 -0.00000 -0.00000 -0.00000 72  VAL A HG13 
845  H  HG21 . VAL A 52 ? 0.13463 0.13463 0.13463 -0.00000 -0.00000 0.00000  72  VAL A HG21 
846  H  HG22 . VAL A 52 ? 0.13463 0.13463 0.13463 -0.00000 -0.00000 0.00000  72  VAL A HG22 
847  H  HG23 . VAL A 52 ? 0.13463 0.13463 0.13463 -0.00000 -0.00000 0.00000  72  VAL A HG23 
848  N  N    . SER A 53 ? 0.13029 0.10210 0.09861 0.01812  -0.00314 0.00114  73  SER A N    
849  C  CA   . SER A 53 ? 0.13631 0.10921 0.09480 0.01268  -0.00321 0.00175  73  SER A CA   
850  C  C    . SER A 53 ? 0.14334 0.10839 0.09519 -0.00280 0.00087  -0.01802 73  SER A C    
851  O  O    . SER A 53 ? 0.13573 0.08887 0.10573 0.00901  0.00629  -0.00891 73  SER A O    
852  C  CB   . SER A 53 ? 0.15860 0.10913 0.10558 0.01300  -0.00852 0.00832  73  SER A CB   
853  O  OG   . SER A 53 ? 0.16321 0.11535 0.12298 0.00971  -0.00271 0.00027  73  SER A OG   
854  H  H    . SER A 53 ? 0.13254 0.13254 0.13254 0.00000  -0.00000 -0.00000 73  SER A H    
855  H  HA   . SER A 53 ? 0.13626 0.13626 0.13626 -0.00000 0.00000  -0.00000 73  SER A HA   
856  H  HB2  . SER A 53 ? 0.14945 0.14945 0.14945 -0.00000 -0.00000 0.00000  73  SER A HB2  
857  H  HB3  . SER A 53 ? 0.14945 0.14945 0.14945 -0.00000 -0.00000 0.00000  73  SER A HB3  
858  H  HG   . SER A 53 ? 0.16075 0.16075 0.16075 -0.00000 -0.00000 0.00000  73  SER A HG   
859  N  N    . ALA A 54 ? 0.16403 0.12150 0.09828 0.01492  0.00403  -0.00928 74  ALA A N    
860  C  CA   . ALA A 54 ? 0.16382 0.12476 0.10868 0.00806  0.00451  -0.01688 74  ALA A CA   
861  C  C    . ALA A 54 ? 0.17620 0.13996 0.09507 0.01163  0.00323  -0.01178 74  ALA A C    
862  O  O    . ALA A 54 ? 0.18788 0.16829 0.10735 0.02098  -0.00339 -0.00207 74  ALA A O    
863  C  CB   . ALA A 54 ? 0.18650 0.14752 0.13623 -0.01449 0.01655  -0.02886 74  ALA A CB   
864  H  H    . ALA A 54 ? 0.15366 0.15366 0.15366 0.00000  0.00000  0.00000  74  ALA A H    
865  H  HA   . ALA A 54 ? 0.15903 0.15903 0.15903 0.00000  -0.00000 -0.00000 74  ALA A HA   
866  H  HB1  . ALA A 54 ? 0.18823 0.18823 0.18823 0.00000  -0.00000 -0.00000 74  ALA A HB1  
867  H  HB2  . ALA A 54 ? 0.18823 0.18823 0.18823 0.00000  -0.00000 -0.00000 74  ALA A HB2  
868  H  HB3  . ALA A 54 ? 0.18823 0.18823 0.18823 0.00000  -0.00000 -0.00000 74  ALA A HB3  
869  N  N    . GLY A 55 ? 0.18874 0.13895 0.08850 0.00325  0.00829  -0.01432 75  GLY A N    
870  C  CA   . GLY A 55 ? 0.19985 0.14996 0.09988 0.00508  0.00360  -0.00758 75  GLY A CA   
871  C  C    . GLY A 55 ? 0.19314 0.13790 0.08899 0.00906  0.01983  -0.01425 75  GLY A C    
872  O  O    . GLY A 55 ? 0.19964 0.12864 0.13466 0.01138  0.02461  0.00059  75  GLY A O    
873  H  H    . GLY A 55 ? 0.16661 0.16661 0.16661 0.00000  0.00000  0.00000  75  GLY A H    
874  H  HA2  . GLY A 55 ? 0.18001 0.18001 0.18001 -0.00000 -0.00000 -0.00000 75  GLY A HA2  
875  H  HA3  . GLY A 55 ? 0.18001 0.18001 0.18001 -0.00000 -0.00000 -0.00000 75  GLY A HA3  
876  N  N    . SER A 56 ? 0.20144 0.14047 0.10400 -0.00461 0.02237  -0.00540 76  SER A N    
877  C  CA   . SER A 56 ? 0.20922 0.12348 0.11035 -0.00290 0.02841  -0.01369 76  SER A CA   
878  C  C    . SER A 56 ? 0.19660 0.10346 0.11106 0.00274  0.02987  -0.01161 76  SER A C    
879  O  O    . SER A 56 ? 0.19638 0.10614 0.10658 -0.00067 0.03044  -0.01507 76  SER A O    
880  C  CB   . SER A 56 ? 0.23217 0.14358 0.11528 -0.00347 0.03731  -0.00831 76  SER A CB   
881  O  OG   . SER A 56 ? 0.25632 0.14468 0.13127 -0.01547 0.03259  0.00628  76  SER A OG   
882  H  H    . SER A 56 ? 0.17849 0.17849 0.17849 0.00000  -0.00000 0.00000  76  SER A H    
883  H  HA   . SER A 56 ? 0.17735 0.17735 0.17735 0.00000  0.00000  0.00000  76  SER A HA   
884  H  HB2  . SER A 56 ? 0.19654 0.19654 0.19654 -0.00000 0.00000  0.00000  76  SER A HB2  
885  H  HB3  . SER A 56 ? 0.19654 0.19654 0.19654 -0.00000 0.00000  0.00000  76  SER A HB3  
886  H  HG   . SER A 56 ? 0.21304 0.21304 0.21304 -0.00000 0.00000  0.00000  76  SER A HG   
887  N  N    . ARG A 57 ? 0.18900 0.11234 0.11982 0.00391  0.03609  -0.01365 77  ARG A N    
888  C  CA   . ARG A 57 ? 0.18962 0.10781 0.12940 0.00203  0.03312  -0.00816 77  ARG A CA   
889  C  C    . ARG A 57 ? 0.19262 0.09842 0.12591 0.00028  0.03970  -0.00804 77  ARG A C    
890  O  O    . ARG A 57 ? 0.18552 0.10145 0.12579 -0.00255 0.02646  -0.01165 77  ARG A O    
891  C  CB   . ARG A 57 ? 0.19858 0.11425 0.15458 0.00753  0.02820  -0.01166 77  ARG A CB   
892  C  CG   . ARG A 57 ? 0.20405 0.11804 0.16509 0.00274  0.01494  0.00102  77  ARG A CG   
893  C  CD   . ARG A 57 ? 0.22604 0.12650 0.18176 0.01560  0.00137  0.00587  77  ARG A CD   
894  N  NE   . ARG A 57 ? 0.24369 0.14691 0.19636 0.01402  -0.01094 0.01046  77  ARG A NE   
895  C  CZ   . ARG A 57 ? 0.25133 0.15117 0.21447 0.02442  -0.01761 0.01315  77  ARG A CZ   
896  N  NH1  . ARG A 57 ? 0.24976 0.14321 0.22766 0.03428  -0.00507 0.00776  77  ARG A NH1  
897  N  NH2  . ARG A 57 ? 0.26576 0.18357 0.22506 0.02583  -0.02547 0.01149  77  ARG A NH2  
898  H  H    . ARG A 57 ? 0.16860 0.16860 0.16860 -0.00000 0.00000  0.00000  77  ARG A H    
899  H  HA   . ARG A 57 ? 0.17086 0.17086 0.17086 0.00000  -0.00000 -0.00000 77  ARG A HA   
900  H  HB2  . ARG A 57 ? 0.18710 0.18710 0.18710 -0.00000 0.00000  -0.00000 77  ARG A HB2  
901  H  HB3  . ARG A 57 ? 0.18710 0.18710 0.18710 -0.00000 0.00000  -0.00000 77  ARG A HB3  
902  H  HG2  . ARG A 57 ? 0.19501 0.19501 0.19501 0.00000  -0.00000 0.00000  77  ARG A HG2  
903  H  HG3  . ARG A 57 ? 0.19501 0.19501 0.19501 0.00000  -0.00000 0.00000  77  ARG A HG3  
904  H  HD2  . ARG A 57 ? 0.21385 0.21385 0.21385 -0.00000 0.00000  -0.00000 77  ARG A HD2  
905  H  HD3  . ARG A 57 ? 0.21385 0.21385 0.21385 -0.00000 0.00000  -0.00000 77  ARG A HD3  
906  H  HE   . ARG A 57 ? 0.23491 0.23491 0.23491 0.00000  0.00000  0.00000  77  ARG A HE   
907  H  HH11 . ARG A 57 ? 0.24838 0.24838 0.24838 0.00000  -0.00000 0.00000  77  ARG A HH11 
908  H  HH12 . ARG A 57 ? 0.24838 0.24838 0.24838 0.00000  -0.00000 0.00000  77  ARG A HH12 
909  H  HH21 . ARG A 57 ? 0.26989 0.26989 0.26989 -0.00000 -0.00000 -0.00000 77  ARG A HH21 
910  H  HH22 . ARG A 57 ? 0.26989 0.26989 0.26989 -0.00000 -0.00000 -0.00000 77  ARG A HH22 
911  N  N    . GLU A 58 ? 0.22483 0.10393 0.14144 -0.01650 0.05946  -0.00954 78  GLU A N    
912  C  CA   . GLU A 58 ? 0.24649 0.12181 0.16614 -0.01892 0.06471  0.00302  78  GLU A CA   
913  C  C    . GLU A 58 ? 0.24604 0.10064 0.14199 -0.02374 0.05751  0.00445  78  GLU A C    
914  O  O    . GLU A 58 ? 0.24775 0.10888 0.16907 -0.04181 0.05548  -0.01811 78  GLU A O    
915  C  CB   . GLU A 58 ? 0.26468 0.15230 0.21104 -0.01700 0.09195  0.02315  78  GLU A CB   
916  C  CG   . GLU A 58 ? 0.29186 0.19722 0.26360 -0.01886 0.08468  0.02023  78  GLU A CG   
917  C  CD   . GLU A 58 ? 0.32088 0.22873 0.30099 -0.02543 0.06964  0.03058  78  GLU A CD   
918  O  OE1  . GLU A 58 ? 0.33262 0.23707 0.31749 -0.02666 0.06092  0.03026  78  GLU A OE1  
919  O  OE2  . GLU A 58 ? 0.33338 0.24653 0.31714 -0.03165 0.06016  0.03838  78  GLU A OE2  
920  H  H    . GLU A 58 ? 0.18821 0.18821 0.18821 0.00000  0.00000  -0.00000 78  GLU A H    
921  H  HA   . GLU A 58 ? 0.21391 0.21391 0.21391 -0.00000 -0.00000 0.00000  78  GLU A HA   
922  H  HB2  . GLU A 58 ? 0.25134 0.25134 0.25134 0.00000  -0.00000 -0.00000 78  GLU A HB2  
923  H  HB3  . GLU A 58 ? 0.25134 0.25134 0.25134 0.00000  -0.00000 -0.00000 78  GLU A HB3  
924  H  HG2  . GLU A 58 ? 0.30121 0.30121 0.30121 0.00000  0.00000  0.00000  78  GLU A HG2  
925  H  HG3  . GLU A 58 ? 0.30121 0.30121 0.30121 0.00000  0.00000  0.00000  78  GLU A HG3  
926  N  N    . SER A 59 ? 0.23513 0.09890 0.10629 0.00284  0.03371  0.00905  79  SER A N    
927  C  CA   A SER A 59 ? 0.24000 0.10471 0.10479 0.01600  0.01318  0.01092  79  SER A CA   
928  C  CA   B SER A 59 ? 0.22323 0.10131 0.10144 0.01681  0.01165  0.00776  79  SER A CA   
929  C  CA   C SER A 59 ? 0.22954 0.10262 0.11057 0.01402  0.01639  0.00293  79  SER A CA   
930  C  C    . SER A 59 ? 0.21252 0.08551 0.09078 0.00921  0.01146  -0.00109 79  SER A C    
931  O  O    . SER A 59 ? 0.20385 0.07200 0.09757 0.01377  0.00015  0.00318  79  SER A O    
932  C  CB   A SER A 59 ? 0.26404 0.14085 0.10475 0.02830  0.00787  0.01851  79  SER A CB   
933  C  CB   B SER A 59 ? 0.21259 0.12961 0.09224 0.03009  0.00310  0.00782  79  SER A CB   
934  C  CB   C SER A 59 ? 0.23517 0.12847 0.12565 0.02549  0.01193  -0.00209 79  SER A CB   
935  O  OG   A SER A 59 ? 0.28123 0.15785 0.11182 0.02433  0.01324  0.02290  79  SER A OG   
936  O  OG   B SER A 59 ? 0.18899 0.13397 0.08416 0.03050  0.00921  0.00399  79  SER A OG   
937  O  OG   C SER A 59 ? 0.23527 0.13990 0.13804 0.02613  0.01189  -0.00781 79  SER A OG   
938  H  H    A SER A 59 ? 0.17626 0.17626 0.17626 0.00000  -0.00000 0.00000  79  SER A H    
939  H  H    B SER A 59 ? 0.17626 0.17626 0.17626 0.00000  -0.00000 0.00000  79  SER A H    
940  H  H    C SER A 59 ? 0.17626 0.17626 0.17626 0.00000  -0.00000 0.00000  79  SER A H    
941  H  HA   . SER A 59 ? 0.17722 0.17722 0.17722 0.00000  -0.00000 -0.00000 79  SER A HA   
942  H  HB2  A SER A 59 ? 0.20399 0.20399 0.20399 0.00000  0.00000  0.00000  79  SER A HB2  
943  H  HB2  B SER A 59 ? 0.17391 0.17391 0.17391 -0.00000 -0.00000 0.00000  79  SER A HB2  
944  H  HB2  C SER A 59 ? 0.19585 0.19585 0.19585 0.00000  0.00000  0.00000  79  SER A HB2  
945  H  HB3  A SER A 59 ? 0.20399 0.20399 0.20399 0.00000  0.00000  0.00000  79  SER A HB3  
946  H  HB3  B SER A 59 ? 0.17391 0.17391 0.17391 -0.00000 -0.00000 0.00000  79  SER A HB3  
947  H  HB3  C SER A 59 ? 0.19585 0.19585 0.19585 0.00000  0.00000  0.00000  79  SER A HB3  
948  H  HG   A SER A 59 ? 0.22049 0.22049 0.22049 -0.00000 0.00000  -0.00000 79  SER A HG   
949  H  HG   B SER A 59 ? 0.16298 0.16298 0.16298 0.00000  -0.00000 -0.00000 79  SER A HG   
950  H  HG   C SER A 59 ? 0.20542 0.20542 0.20542 0.00000  0.00000  0.00000  79  SER A HG   
951  N  N    . MET A 60 ? 0.19704 0.06858 0.08638 0.00782  0.01287  0.00082  80  MET A N    
952  C  CA   . MET A 60 ? 0.17652 0.07325 0.09054 0.00556  0.02618  -0.00390 80  MET A CA   
953  C  C    . MET A 60 ? 0.15811 0.05459 0.09223 0.00588  0.02368  0.00460  80  MET A C    
954  O  O    . MET A 60 ? 0.15597 0.06251 0.09678 -0.00379 0.02068  -0.00171 80  MET A O    
955  C  CB   . MET A 60 ? 0.16476 0.07318 0.09692 -0.00178 0.02222  -0.00323 80  MET A CB   
956  C  CG   . MET A 60 ? 0.16399 0.07639 0.10610 0.00181  0.01730  -0.01226 80  MET A CG   
957  S  SD   . MET A 60 ? 0.16105 0.09319 0.09757 -0.00814 0.01594  -0.01092 80  MET A SD   
958  C  CE   . MET A 60 ? 0.18043 0.11538 0.10585 -0.00688 0.00404  -0.00229 80  MET A CE   
959  H  H    . MET A 60 ? 0.14094 0.14094 0.14094 -0.00000 -0.00000 -0.00000 80  MET A H    
960  H  HA   . MET A 60 ? 0.13625 0.13625 0.13625 -0.00000 -0.00000 0.00000  80  MET A HA   
961  H  HB2  . MET A 60 ? 0.13408 0.13408 0.13408 -0.00000 -0.00000 -0.00000 80  MET A HB2  
962  H  HB3  . MET A 60 ? 0.13408 0.13408 0.13408 -0.00000 -0.00000 -0.00000 80  MET A HB3  
963  H  HG2  . MET A 60 ? 0.13872 0.13872 0.13872 -0.00000 0.00000  0.00000  80  MET A HG2  
964  H  HG3  . MET A 60 ? 0.13872 0.13872 0.13872 -0.00000 0.00000  0.00000  80  MET A HG3  
965  H  HE1  . MET A 60 ? 0.16080 0.16080 0.16080 0.00000  -0.00000 0.00000  80  MET A HE1  
966  H  HE2  . MET A 60 ? 0.16080 0.16080 0.16080 0.00000  -0.00000 0.00000  80  MET A HE2  
967  H  HE3  . MET A 60 ? 0.16080 0.16080 0.16080 0.00000  -0.00000 0.00000  80  MET A HE3  
968  N  N    . GLU A 61 ? 0.15998 0.07889 0.09916 0.00495  0.02428  0.00099  81  GLU A N    
969  C  CA   . GLU A 61 ? 0.15615 0.08423 0.11841 -0.00084 0.02340  -0.00250 81  GLU A CA   
970  C  C    . GLU A 61 ? 0.15681 0.07401 0.08853 -0.00839 0.01324  0.00761  81  GLU A C    
971  O  O    . GLU A 61 ? 0.15377 0.06766 0.08913 -0.00130 0.00824  0.00963  81  GLU A O    
972  C  CB   . GLU A 61 ? 0.16885 0.14711 0.18063 -0.02265 0.04583  -0.03855 81  GLU A CB   
973  C  CG   . GLU A 61 ? 0.19984 0.24604 0.25495 -0.04984 0.05625  -0.06525 81  GLU A CG   
974  C  CD   . GLU A 61 ? 0.23755 0.33815 0.31999 -0.06910 0.05973  -0.09004 81  GLU A CD   
975  O  OE1  . GLU A 61 ? 0.23813 0.36504 0.33161 -0.06143 0.08172  -0.09338 81  GLU A OE1  
976  O  OE2  . GLU A 61 ? 0.26411 0.38378 0.34952 -0.07435 0.05576  -0.10105 81  GLU A OE2  
977  H  H    . GLU A 61 ? 0.13534 0.13534 0.13534 0.00000  -0.00000 -0.00000 81  GLU A H    
978  H  HA   . GLU A 61 ? 0.14365 0.14365 0.14365 -0.00000 0.00000  0.00000  81  GLU A HA   
979  H  HB2  . GLU A 61 ? 0.19877 0.19877 0.19877 0.00000  -0.00000 -0.00000 81  GLU A HB2  
980  H  HB3  . GLU A 61 ? 0.19877 0.19877 0.19877 0.00000  -0.00000 -0.00000 81  GLU A HB3  
981  H  HG2  . GLU A 61 ? 0.28046 0.28046 0.28046 -0.00000 0.00000  0.00000  81  GLU A HG2  
982  H  HG3  . GLU A 61 ? 0.28046 0.28046 0.28046 -0.00000 0.00000  0.00000  81  GLU A HG3  
983  N  N    . VAL A 62 ? 0.16694 0.06099 0.07711 -0.00855 0.01097  0.00405  82  VAL A N    
984  C  CA   . VAL A 62 ? 0.16783 0.06011 0.07856 -0.01186 0.00211  0.01048  82  VAL A CA   
985  C  C    . VAL A 62 ? 0.16621 0.05939 0.07787 0.00149  0.00308  0.01297  82  VAL A C    
986  O  O    . VAL A 62 ? 0.17290 0.06050 0.07883 0.00616  0.00701  0.00382  82  VAL A O    
987  C  CB   . VAL A 62 ? 0.17936 0.07709 0.08553 -0.01289 0.00458  0.01405  82  VAL A CB   
988  C  CG1  . VAL A 62 ? 0.19653 0.09662 0.09721 0.00198  -0.00517 0.03759  82  VAL A CG1  
989  C  CG2  . VAL A 62 ? 0.17762 0.10334 0.10930 -0.01551 0.01594  0.03527  82  VAL A CG2  
990  H  H    . VAL A 62 ? 0.12215 0.12215 0.12215 -0.00000 0.00000  0.00000  82  VAL A H    
991  H  HA   . VAL A 62 ? 0.12273 0.12273 0.12273 0.00000  0.00000  0.00000  82  VAL A HA   
992  H  HB   . VAL A 62 ? 0.13692 0.13692 0.13692 0.00000  0.00000  0.00000  82  VAL A HB   
993  H  HG11 . VAL A 62 ? 0.15628 0.15628 0.15628 0.00000  -0.00000 0.00000  82  VAL A HG11 
994  H  HG12 . VAL A 62 ? 0.15628 0.15628 0.15628 0.00000  -0.00000 0.00000  82  VAL A HG12 
995  H  HG13 . VAL A 62 ? 0.15628 0.15628 0.15628 0.00000  -0.00000 0.00000  82  VAL A HG13 
996  H  HG21 . VAL A 62 ? 0.15624 0.15624 0.15624 0.00000  -0.00000 0.00000  82  VAL A HG21 
997  H  HG22 . VAL A 62 ? 0.15624 0.15624 0.15624 0.00000  -0.00000 0.00000  82  VAL A HG22 
998  H  HG23 . VAL A 62 ? 0.15624 0.15624 0.15624 0.00000  -0.00000 0.00000  82  VAL A HG23 
999  N  N    . ASP A 63 ? 0.15747 0.05874 0.08217 -0.00510 0.00376  -0.00137 83  ASP A N    
1000 C  CA   . ASP A 63 ? 0.14809 0.06096 0.08453 0.00567  0.00743  0.00732  83  ASP A CA   
1001 C  C    . ASP A 63 ? 0.14074 0.05289 0.08186 -0.00143 0.01090  0.00564  83  ASP A C    
1002 O  O    . ASP A 63 ? 0.13749 0.06043 0.08098 0.00278  -0.00177 0.00333  83  ASP A O    
1003 C  CB   . ASP A 63 ? 0.15775 0.07087 0.08062 -0.00665 -0.00694 0.00206  83  ASP A CB   
1004 C  CG   . ASP A 63 ? 0.18937 0.10136 0.11443 -0.01358 -0.01710 0.01205  83  ASP A CG   
1005 O  OD1  . ASP A 63 ? 0.23833 0.11973 0.14779 -0.01990 -0.05461 0.04204  83  ASP A OD1  
1006 O  OD2  . ASP A 63 ? 0.18557 0.11683 0.11471 -0.01007 -0.01128 -0.00199 83  ASP A OD2  
1007 H  H    . ASP A 63 ? 0.11948 0.11948 0.11948 0.00000  0.00000  0.00000  83  ASP A H    
1008 H  HA   . ASP A 63 ? 0.11756 0.11756 0.11756 -0.00000 -0.00000 -0.00000 83  ASP A HA   
1009 H  HB2  . ASP A 63 ? 0.12383 0.12383 0.12383 -0.00000 -0.00000 0.00000  83  ASP A HB2  
1010 H  HB3  . ASP A 63 ? 0.12383 0.12383 0.12383 -0.00000 -0.00000 0.00000  83  ASP A HB3  
1011 N  N    . VAL A 64 ? 0.12938 0.05014 0.08080 0.00299  0.00840  0.00067  84  VAL A N    
1012 C  CA   . VAL A 64 ? 0.13581 0.05696 0.07692 0.00501  0.00851  0.01091  84  VAL A CA   
1013 C  C    . VAL A 64 ? 0.13144 0.06074 0.07625 0.00957  0.00155  0.01050  84  VAL A C    
1014 O  O    . VAL A 64 ? 0.13466 0.06427 0.08009 0.00253  0.00313  0.00336  84  VAL A O    
1015 C  CB   . VAL A 64 ? 0.13358 0.05730 0.09106 0.00450  0.01493  0.00855  84  VAL A CB   
1016 C  CG1  . VAL A 64 ? 0.13687 0.06826 0.09878 0.00799  0.00674  0.01073  84  VAL A CG1  
1017 C  CG2  . VAL A 64 ? 0.13677 0.05883 0.10425 0.00880  0.00224  0.00695  84  VAL A CG2  
1018 H  H    . VAL A 64 ? 0.10426 0.10426 0.10426 -0.00000 -0.00000 0.00000  84  VAL A H    
1019 H  HA   . VAL A 64 ? 0.10801 0.10801 0.10801 0.00000  0.00000  0.00000  84  VAL A HA   
1020 H  HB   . VAL A 64 ? 0.11291 0.11291 0.11291 -0.00000 0.00000  -0.00000 84  VAL A HB   
1021 H  HG11 . VAL A 64 ? 0.12169 0.12169 0.12169 0.00000  0.00000  0.00000  84  VAL A HG11 
1022 H  HG12 . VAL A 64 ? 0.12169 0.12169 0.12169 0.00000  0.00000  0.00000  84  VAL A HG12 
1023 H  HG13 . VAL A 64 ? 0.12169 0.12169 0.12169 0.00000  0.00000  0.00000  84  VAL A HG13 
1024 H  HG21 . VAL A 64 ? 0.12007 0.12007 0.12007 -0.00000 0.00000  0.00000  84  VAL A HG21 
1025 H  HG22 . VAL A 64 ? 0.12007 0.12007 0.12007 -0.00000 0.00000  0.00000  84  VAL A HG22 
1026 H  HG23 . VAL A 64 ? 0.12007 0.12007 0.12007 -0.00000 0.00000  0.00000  84  VAL A HG23 
1027 N  N    . SER A 65 ? 0.13338 0.05543 0.08378 0.00345  0.00393  0.00508  85  SER A N    
1028 C  CA   . SER A 65 ? 0.13531 0.06357 0.09011 -0.00330 0.00142  0.00300  85  SER A CA   
1029 C  C    . SER A 65 ? 0.14202 0.05652 0.07807 -0.01182 0.00166  0.00920  85  SER A C    
1030 O  O    . SER A 65 ? 0.13872 0.06182 0.08323 -0.00612 -0.00482 -0.00159 85  SER A O    
1031 C  CB   . SER A 65 ? 0.14407 0.07122 0.11038 -0.00790 0.00740  -0.00303 85  SER A CB   
1032 O  OG   . SER A 65 ? 0.16070 0.09579 0.13417 -0.01082 0.01899  0.00582  85  SER A OG   
1033 H  H    . SER A 65 ? 0.10917 0.10917 0.10917 0.00000  0.00000  -0.00000 85  SER A H    
1034 H  HA   . SER A 65 ? 0.11573 0.11573 0.11573 0.00000  0.00000  0.00000  85  SER A HA   
1035 H  HB2  . SER A 65 ? 0.13040 0.13040 0.13040 -0.00000 0.00000  0.00000  85  SER A HB2  
1036 H  HB3  . SER A 65 ? 0.13040 0.13040 0.13040 -0.00000 0.00000  0.00000  85  SER A HB3  
1037 H  HG   . SER A 65 ? 0.15640 0.15640 0.15640 -0.00000 -0.00000 0.00000  85  SER A HG   
1038 N  N    . LYS A 66 ? 0.13852 0.05503 0.07407 0.00130  -0.00113 0.00588  86  LYS A N    
1039 C  CA   . LYS A 66 ? 0.14107 0.05156 0.08678 0.00543  -0.00444 0.00891  86  LYS A CA   
1040 C  C    . LYS A 66 ? 0.13313 0.05536 0.08384 0.00385  -0.00929 -0.00273 86  LYS A C    
1041 O  O    . LYS A 66 ? 0.13941 0.05885 0.09068 0.00148  -0.00394 -0.00419 86  LYS A O    
1042 C  CB   . LYS A 66 ? 0.14862 0.06693 0.09342 0.00105  -0.00633 0.01120  86  LYS A CB   
1043 C  CG   . LYS A 66 ? 0.15466 0.07803 0.09279 0.01037  -0.00541 0.02011  86  LYS A CG   
1044 C  CD   . LYS A 66 ? 0.17434 0.15469 0.10411 0.00481  -0.00064 0.04419  86  LYS A CD   
1045 C  CE   . LYS A 66 ? 0.18453 0.24489 0.10875 0.00160  0.00312  0.05277  86  LYS A CE   
1046 N  NZ   . LYS A 66 ? 0.16447 0.28793 0.11223 -0.01807 -0.01287 0.05901  86  LYS A NZ   
1047 H  H    . LYS A 66 ? 0.10718 0.10718 0.10718 0.00000  0.00000  0.00000  86  LYS A H    
1048 H  HA   . LYS A 66 ? 0.11189 0.11189 0.11189 0.00000  0.00000  0.00000  86  LYS A HA   
1049 H  HB2  . LYS A 66 ? 0.12372 0.12372 0.12372 0.00000  0.00000  0.00000  86  LYS A HB2  
1050 H  HB3  . LYS A 66 ? 0.12372 0.12372 0.12372 0.00000  0.00000  0.00000  86  LYS A HB3  
1051 H  HG2  . LYS A 66 ? 0.13033 0.13033 0.13033 -0.00000 0.00000  0.00000  86  LYS A HG2  
1052 H  HG3  . LYS A 66 ? 0.13033 0.13033 0.13033 -0.00000 0.00000  0.00000  86  LYS A HG3  
1053 H  HD2  . LYS A 66 ? 0.17338 0.17338 0.17338 0.00000  -0.00000 0.00000  86  LYS A HD2  
1054 H  HD3  . LYS A 66 ? 0.17338 0.17338 0.17338 0.00000  -0.00000 0.00000  86  LYS A HD3  
1055 H  HE2  . LYS A 66 ? 0.21540 0.21540 0.21540 -0.00000 0.00000  0.00000  86  LYS A HE2  
1056 H  HE3  . LYS A 66 ? 0.21540 0.21540 0.21540 -0.00000 0.00000  0.00000  86  LYS A HE3  
1057 H  HZ1  . LYS A 66 ? 0.22598 0.22598 0.22598 0.00000  -0.00000 -0.00000 86  LYS A HZ1  
1058 H  HZ2  . LYS A 66 ? 0.22598 0.22598 0.22598 0.00000  -0.00000 -0.00000 86  LYS A HZ2  
1059 H  HZ3  . LYS A 66 ? 0.22598 0.22598 0.22598 0.00000  -0.00000 -0.00000 86  LYS A HZ3  
1060 N  N    . LEU A 67 ? 0.12976 0.05080 0.08195 0.00258  -0.00212 0.00060  87  LEU A N    
1061 C  CA   . LEU A 67 ? 0.12460 0.06299 0.07999 -0.00204 0.00648  0.00534  87  LEU A CA   
1062 C  C    . LEU A 67 ? 0.12430 0.05480 0.07620 -0.00428 0.00207  0.00189  87  LEU A C    
1063 O  O    . LEU A 67 ? 0.12440 0.07086 0.08378 -0.00753 0.00087  -0.00546 87  LEU A O    
1064 C  CB   . LEU A 67 ? 0.12559 0.05923 0.07809 -0.00171 0.00107  0.00421  87  LEU A CB   
1065 C  CG   . LEU A 67 ? 0.12787 0.07281 0.08206 -0.00163 -0.00590 -0.00152 87  LEU A CG   
1066 C  CD1  . LEU A 67 ? 0.14364 0.06508 0.09247 -0.01037 -0.01282 0.00045  87  LEU A CD1  
1067 C  CD2  . LEU A 67 ? 0.12554 0.09566 0.10875 -0.00065 -0.00118 -0.01226 87  LEU A CD2  
1068 H  H    . LEU A 67 ? 0.10514 0.10514 0.10514 0.00000  -0.00000 0.00000  87  LEU A H    
1069 H  HA   . LEU A 67 ? 0.10716 0.10716 0.10716 0.00000  0.00000  -0.00000 87  LEU A HA   
1070 H  HB2  . LEU A 67 ? 0.10530 0.10530 0.10530 0.00000  0.00000  -0.00000 87  LEU A HB2  
1071 H  HB3  . LEU A 67 ? 0.10530 0.10530 0.10530 0.00000  0.00000  -0.00000 87  LEU A HB3  
1072 H  HG   . LEU A 67 ? 0.11323 0.11323 0.11323 -0.00000 0.00000  0.00000  87  LEU A HG   
1073 H  HD11 . LEU A 67 ? 0.12061 0.12061 0.12061 -0.00000 -0.00000 -0.00000 87  LEU A HD11 
1074 H  HD12 . LEU A 67 ? 0.12061 0.12061 0.12061 -0.00000 -0.00000 -0.00000 87  LEU A HD12 
1075 H  HD13 . LEU A 67 ? 0.12061 0.12061 0.12061 -0.00000 -0.00000 -0.00000 87  LEU A HD13 
1076 H  HD21 . LEU A 67 ? 0.13211 0.13211 0.13211 -0.00000 -0.00000 0.00000  87  LEU A HD21 
1077 H  HD22 . LEU A 67 ? 0.13211 0.13211 0.13211 -0.00000 -0.00000 0.00000  87  LEU A HD22 
1078 H  HD23 . LEU A 67 ? 0.13211 0.13211 0.13211 -0.00000 -0.00000 0.00000  87  LEU A HD23 
1079 N  N    . HIS A 68 ? 0.12114 0.06257 0.07884 -0.00377 0.00031  -0.00035 88  HIS A N    
1080 C  CA   . HIS A 68 ? 0.12672 0.07013 0.07618 -0.00858 -0.00140 -0.00221 88  HIS A CA   
1081 C  C    . HIS A 68 ? 0.12879 0.07372 0.08105 -0.00702 0.00141  -0.00246 88  HIS A C    
1082 O  O    . HIS A 68 ? 0.14804 0.08607 0.07721 -0.01075 0.00198  -0.00652 88  HIS A O    
1083 C  CB   . HIS A 68 ? 0.12653 0.07406 0.08561 -0.00677 -0.00432 0.00444  88  HIS A CB   
1084 C  CG   . HIS A 68 ? 0.12486 0.07754 0.08819 -0.00793 0.00110  0.01242  88  HIS A CG   
1085 N  ND1  . HIS A 68 ? 0.12843 0.08370 0.09532 -0.00033 -0.00233 0.01928  88  HIS A ND1  
1086 C  CD2  . HIS A 68 ? 0.13014 0.07323 0.09211 -0.00527 -0.00185 0.00783  88  HIS A CD2  
1087 C  CE1  . HIS A 68 ? 0.13177 0.08322 0.09944 -0.00545 -0.00187 0.01611  88  HIS A CE1  
1088 N  NE2  . HIS A 68 ? 0.13727 0.07738 0.09680 -0.00220 -0.00548 0.00762  88  HIS A NE2  
1089 H  H    . HIS A 68 ? 0.10516 0.10516 0.10516 -0.00000 -0.00000 0.00000  88  HIS A H    
1090 H  HA   . HIS A 68 ? 0.10935 0.10935 0.10935 -0.00000 0.00000  0.00000  88  HIS A HA   
1091 H  HB2  . HIS A 68 ? 0.11461 0.11461 0.11461 0.00000  0.00000  0.00000  88  HIS A HB2  
1092 H  HB3  . HIS A 68 ? 0.11461 0.11461 0.11461 0.00000  0.00000  0.00000  88  HIS A HB3  
1093 H  HD2  . HIS A 68 ? 0.11832 0.11832 0.11832 -0.00000 0.00000  0.00000  88  HIS A HD2  
1094 H  HE1  . HIS A 68 ? 0.12590 0.12590 0.12590 -0.00000 0.00000  -0.00000 88  HIS A HE1  
1095 H  HE2  . HIS A 68 ? 0.12471 0.12471 0.12471 0.00000  0.00000  0.00000  88  HIS A HE2  
1096 N  N    . ALA A 69 ? 0.13287 0.06934 0.08367 -0.01118 0.00310  -0.00689 89  ALA A N    
1097 C  CA   . ALA A 69 ? 0.14103 0.06656 0.08755 -0.01368 0.00469  -0.00710 89  ALA A CA   
1098 C  C    . ALA A 69 ? 0.14811 0.06908 0.09829 -0.00991 0.00494  -0.01447 89  ALA A C    
1099 O  O    . ALA A 69 ? 0.16415 0.09482 0.13019 -0.01374 0.01941  -0.03799 89  ALA A O    
1100 C  CB   . ALA A 69 ? 0.16572 0.07514 0.10225 -0.00620 0.00259  -0.00715 89  ALA A CB   
1101 H  H    . ALA A 69 ? 0.11448 0.11448 0.11448 0.00000  -0.00000 0.00000  89  ALA A H    
1102 H  HA   . ALA A 69 ? 0.11819 0.11819 0.11819 0.00000  0.00000  0.00000  89  ALA A HA   
1103 H  HB1  . ALA A 69 ? 0.13738 0.13738 0.13738 -0.00000 -0.00000 -0.00000 89  ALA A HB1  
1104 H  HB2  . ALA A 69 ? 0.13738 0.13738 0.13738 -0.00000 -0.00000 -0.00000 89  ALA A HB2  
1105 H  HB3  . ALA A 69 ? 0.13738 0.13738 0.13738 -0.00000 -0.00000 -0.00000 89  ALA A HB3  
1106 N  N    . ALA A 70 ? 0.13871 0.07817 0.10021 0.00115  0.00194  -0.01796 90  ALA A N    
1107 C  CA   . ALA A 70 ? 0.13777 0.09444 0.11818 0.00129  0.00772  -0.01937 90  ALA A CA   
1108 C  C    . ALA A 70 ? 0.13800 0.10934 0.12358 -0.01146 0.02014  -0.02233 90  ALA A C    
1109 O  O    . ALA A 70 ? 0.14922 0.15686 0.13817 -0.01056 0.02994  -0.01467 90  ALA A O    
1110 C  CB   . ALA A 70 ? 0.13592 0.10966 0.13101 0.00437  0.00003  -0.02254 90  ALA A CB   
1111 H  H    . ALA A 70 ? 0.12697 0.12697 0.12697 -0.00000 -0.00000 0.00000  90  ALA A H    
1112 H  HA   . ALA A 70 ? 0.14029 0.14029 0.14029 0.00000  0.00000  0.00000  90  ALA A HA   
1113 H  HB1  . ALA A 70 ? 0.15077 0.15077 0.15077 0.00000  -0.00000 -0.00000 90  ALA A HB1  
1114 H  HB2  . ALA A 70 ? 0.15077 0.15077 0.15077 0.00000  -0.00000 -0.00000 90  ALA A HB2  
1115 H  HB3  . ALA A 70 ? 0.15077 0.15077 0.15077 0.00000  -0.00000 -0.00000 90  ALA A HB3  
1116 N  N    . GLY A 71 ? 0.14052 0.10742 0.09444 -0.01403 0.02050  -0.00765 91  GLY A N    
1117 C  CA   . GLY A 71 ? 0.15527 0.12006 0.10389 -0.01852 0.01657  -0.00306 91  GLY A CA   
1118 C  C    . GLY A 71 ? 0.14793 0.12436 0.08888 -0.01209 0.00311  0.00992  91  GLY A C    
1119 O  O    . GLY A 71 ? 0.17162 0.14412 0.09885 -0.02413 -0.00442 0.01581  91  GLY A O    
1120 H  H    . GLY A 71 ? 0.13708 0.13708 0.13708 -0.00000 -0.00000 0.00000  91  GLY A H    
1121 H  HA2  . GLY A 71 ? 0.15182 0.15182 0.15182 -0.00000 0.00000  0.00000  91  GLY A HA2  
1122 H  HA3  . GLY A 71 ? 0.15182 0.15182 0.15182 -0.00000 0.00000  0.00000  91  GLY A HA3  
1123 N  N    . LEU A 72 ? 0.13148 0.10292 0.08793 -0.00755 0.00193  0.00720  92  LEU A N    
1124 C  CA   A LEU A 72 ? 0.12924 0.09350 0.09922 -0.00208 0.00306  0.01665  92  LEU A CA   
1125 C  CA   B LEU A 72 ? 0.12862 0.09212 0.09699 -0.00187 0.00410  0.01755  92  LEU A CA   
1126 C  C    . LEU A 72 ? 0.12241 0.10243 0.11080 -0.00519 0.00062  0.01738  92  LEU A C    
1127 O  O    . LEU A 72 ? 0.13461 0.10857 0.14940 -0.00036 0.01422  0.02146  92  LEU A O    
1128 C  CB   A LEU A 72 ? 0.13391 0.09287 0.10696 0.00104  -0.00001 0.00785  92  LEU A CB   
1129 C  CB   B LEU A 72 ? 0.13176 0.08740 0.09837 0.00302  0.00419  0.01168  92  LEU A CB   
1130 C  CG   A LEU A 72 ? 0.13147 0.10594 0.11288 0.00421  -0.00020 0.01113  92  LEU A CG   
1131 C  CG   B LEU A 72 ? 0.13143 0.09997 0.10430 0.00790  0.00204  0.00667  92  LEU A CG   
1132 C  CD1  A LEU A 72 ? 0.12813 0.11161 0.11513 0.00626  0.00100  -0.00025 92  LEU A CD1  
1133 C  CD1  B LEU A 72 ? 0.13304 0.10095 0.10652 0.01727  0.00329  0.00914  92  LEU A CD1  
1134 C  CD2  A LEU A 72 ? 0.14013 0.10769 0.12712 0.00352  -0.01037 0.01351  92  LEU A CD2  
1135 C  CD2  B LEU A 72 ? 0.13730 0.12021 0.11552 -0.00502 0.00905  -0.00263 92  LEU A CD2  
1136 H  H    . LEU A 72 ? 0.12906 0.12906 0.12906 -0.00000 0.00000  -0.00000 92  LEU A H    
1137 H  HA   . LEU A 72 ? 0.12722 0.12722 0.12722 -0.00000 0.00000  0.00000  92  LEU A HA   
1138 H  HB2  A LEU A 72 ? 0.13363 0.13363 0.13363 -0.00000 -0.00000 -0.00000 92  LEU A HB2  
1139 H  HB2  B LEU A 72 ? 0.12714 0.12714 0.12714 0.00000  0.00000  0.00000  92  LEU A HB2  
1140 H  HB3  A LEU A 72 ? 0.13363 0.13363 0.13363 -0.00000 -0.00000 -0.00000 92  LEU A HB3  
1141 H  HB3  B LEU A 72 ? 0.12714 0.12714 0.12714 0.00000  0.00000  0.00000  92  LEU A HB3  
1142 H  HG   A LEU A 72 ? 0.14025 0.14025 0.14025 -0.00000 -0.00000 0.00000  92  LEU A HG   
1143 H  HG   B LEU A 72 ? 0.13441 0.13441 0.13441 -0.00000 -0.00000 0.00000  92  LEU A HG   
1144 H  HD11 A LEU A 72 ? 0.14208 0.14208 0.14208 -0.00000 0.00000  -0.00000 92  LEU A HD11 
1145 H  HD11 B LEU A 72 ? 0.13634 0.13634 0.13634 -0.00000 0.00000  0.00000  92  LEU A HD11 
1146 H  HD12 A LEU A 72 ? 0.14208 0.14208 0.14208 -0.00000 0.00000  -0.00000 92  LEU A HD12 
1147 H  HD12 B LEU A 72 ? 0.13634 0.13634 0.13634 -0.00000 0.00000  0.00000  92  LEU A HD12 
1148 H  HD13 A LEU A 72 ? 0.14208 0.14208 0.14208 -0.00000 0.00000  -0.00000 92  LEU A HD13 
1149 H  HD13 B LEU A 72 ? 0.13634 0.13634 0.13634 -0.00000 0.00000  0.00000  92  LEU A HD13 
1150 H  HD21 A LEU A 72 ? 0.15010 0.15010 0.15010 0.00000  -0.00000 0.00000  92  LEU A HD21 
1151 H  HD21 B LEU A 72 ? 0.14934 0.14934 0.14934 0.00000  -0.00000 0.00000  92  LEU A HD21 
1152 H  HD22 A LEU A 72 ? 0.15010 0.15010 0.15010 0.00000  -0.00000 0.00000  92  LEU A HD22 
1153 H  HD22 B LEU A 72 ? 0.14934 0.14934 0.14934 0.00000  -0.00000 0.00000  92  LEU A HD22 
1154 H  HD23 A LEU A 72 ? 0.15010 0.15010 0.15010 0.00000  -0.00000 0.00000  92  LEU A HD23 
1155 H  HD23 B LEU A 72 ? 0.14934 0.14934 0.14934 0.00000  -0.00000 0.00000  92  LEU A HD23 
1156 N  N    . TRP A 73 ? 0.12067 0.09893 0.11064 -0.00820 -0.00280 0.01428  93  TRP A N    
1157 C  CA   . TRP A 73 ? 0.12351 0.10618 0.09562 -0.00307 -0.01452 0.01190  93  TRP A CA   
1158 C  C    . TRP A 73 ? 0.15053 0.09679 0.09611 -0.03112 -0.01574 0.01402  93  TRP A C    
1159 O  O    . TRP A 73 ? 0.24516 0.18834 0.11199 -0.11157 0.00424  -0.00319 93  TRP A O    
1160 C  CB   . TRP A 73 ? 0.13144 0.12171 0.10165 0.00090  -0.01367 0.01527  93  TRP A CB   
1161 C  CG   . TRP A 73 ? 0.13999 0.13803 0.08791 -0.00217 -0.00950 0.00377  93  TRP A CG   
1162 C  CD1  . TRP A 73 ? 0.17177 0.15422 0.10811 -0.01458 -0.00554 -0.00044 93  TRP A CD1  
1163 C  CD2  . TRP A 73 ? 0.12276 0.15634 0.10422 0.00799  0.00137  0.00777  93  TRP A CD2  
1164 N  NE1  . TRP A 73 ? 0.17802 0.16564 0.11544 -0.00956 -0.00719 -0.01896 93  TRP A NE1  
1165 C  CE2  . TRP A 73 ? 0.14500 0.17314 0.10500 -0.00397 -0.00642 -0.00123 93  TRP A CE2  
1166 C  CE3  . TRP A 73 ? 0.14310 0.15447 0.10841 0.02393  -0.00361 0.02793  93  TRP A CE3  
1167 C  CZ2  . TRP A 73 ? 0.14125 0.18935 0.10420 0.01092  -0.00983 0.00158  93  TRP A CZ2  
1168 C  CZ3  . TRP A 73 ? 0.15001 0.17253 0.12562 0.02319  -0.00496 0.02843  93  TRP A CZ3  
1169 C  CH2  . TRP A 73 ? 0.14440 0.18952 0.11594 0.01468  -0.00771 0.01196  93  TRP A CH2  
1170 H  H    . TRP A 73 ? 0.13223 0.13223 0.13223 -0.00000 0.00000  -0.00000 93  TRP A H    
1171 H  HA   . TRP A 73 ? 0.13025 0.13025 0.13025 -0.00000 0.00000  0.00000  93  TRP A HA   
1172 H  HB2  . TRP A 73 ? 0.14205 0.14205 0.14205 -0.00000 -0.00000 0.00000  93  TRP A HB2  
1173 H  HB3  . TRP A 73 ? 0.14205 0.14205 0.14205 -0.00000 -0.00000 0.00000  93  TRP A HB3  
1174 H  HD1  . TRP A 73 ? 0.17377 0.17377 0.17377 -0.00000 -0.00000 0.00000  93  TRP A HD1  
1175 H  HE1  . TRP A 73 ? 0.18377 0.18377 0.18377 0.00000  0.00000  0.00000  93  TRP A HE1  
1176 H  HE3  . TRP A 73 ? 0.16253 0.16253 0.16253 0.00000  -0.00000 0.00000  93  TRP A HE3  
1177 H  HZ2  . TRP A 73 ? 0.17405 0.17405 0.17405 0.00000  0.00000  0.00000  93  TRP A HZ2  
1178 H  HZ3  . TRP A 73 ? 0.17939 0.17939 0.17939 0.00000  -0.00000 -0.00000 93  TRP A HZ3  
1179 H  HH2  . TRP A 73 ? 0.18007 0.18007 0.18007 -0.00000 -0.00000 -0.00000 93  TRP A HH2  
1180 N  N    . ALA A 74 ? 0.13533 0.08526 0.10253 -0.01441 -0.00215 -0.00304 94  ALA A N    
1181 C  CA   . ALA A 74 ? 0.12037 0.07575 0.10241 -0.00892 -0.00899 0.00018  94  ALA A CA   
1182 C  C    . ALA A 74 ? 0.12278 0.06786 0.09325 -0.00609 -0.00721 0.01518  94  ALA A C    
1183 O  O    . ALA A 74 ? 0.12217 0.08126 0.09615 -0.00794 -0.01077 0.01180  94  ALA A O    
1184 C  CB   . ALA A 74 ? 0.13793 0.08635 0.10934 0.00632  -0.01869 -0.00477 94  ALA A CB   
1185 H  H    . ALA A 74 ? 0.12938 0.12938 0.12938 -0.00000 0.00000  -0.00000 94  ALA A H    
1186 H  HA   . ALA A 74 ? 0.11954 0.11954 0.11954 0.00000  0.00000  0.00000  94  ALA A HA   
1187 H  HB1  . ALA A 74 ? 0.13358 0.13358 0.13358 -0.00000 0.00000  -0.00000 94  ALA A HB1  
1188 H  HB2  . ALA A 74 ? 0.13358 0.13358 0.13358 -0.00000 0.00000  -0.00000 94  ALA A HB2  
1189 H  HB3  . ALA A 74 ? 0.13358 0.13358 0.13358 -0.00000 0.00000  -0.00000 94  ALA A HB3  
1190 N  N    . THR A 75 ? 0.11679 0.07461 0.09498 0.00078  -0.00937 0.00597  95  THR A N    
1191 C  CA   . THR A 75 ? 0.12308 0.08500 0.10823 0.00437  -0.01048 0.00480  95  THR A CA   
1192 C  C    . THR A 75 ? 0.11585 0.07713 0.11184 0.00590  -0.00283 0.01001  95  THR A C    
1193 O  O    . THR A 75 ? 0.11934 0.09309 0.10285 0.00063  -0.00194 0.00193  95  THR A O    
1194 C  CB   . THR A 75 ? 0.15565 0.10776 0.12587 0.02443  -0.00723 0.01347  95  THR A CB   
1195 O  OG1  . THR A 75 ? 0.18313 0.09840 0.13782 0.01845  0.00441  0.02127  95  THR A OG1  
1196 C  CG2  . THR A 75 ? 0.17893 0.12676 0.12837 0.03552  -0.02149 0.02657  95  THR A CG2  
1197 H  H    . THR A 75 ? 0.11468 0.11468 0.11468 -0.00000 0.00000  -0.00000 95  THR A H    
1198 H  HA   . THR A 75 ? 0.12665 0.12665 0.12665 0.00000  0.00000  -0.00000 95  THR A HA   
1199 H  HB   . THR A 75 ? 0.15584 0.15584 0.15584 0.00000  -0.00000 0.00000  95  THR A HB   
1200 H  HG1  . THR A 75 ? 0.16787 0.16787 0.16787 -0.00000 -0.00000 0.00000  95  THR A HG1  
1201 H  HG21 . THR A 75 ? 0.17375 0.17375 0.17375 0.00000  0.00000  0.00000  95  THR A HG21 
1202 H  HG22 . THR A 75 ? 0.17375 0.17375 0.17375 0.00000  0.00000  0.00000  95  THR A HG22 
1203 H  HG23 . THR A 75 ? 0.17375 0.17375 0.17375 0.00000  0.00000  0.00000  95  THR A HG23 
1204 N  N    . MET A 76 ? 0.11412 0.10197 0.11647 0.01468  -0.00411 -0.00153 96  MET A N    
1205 C  CA   . MET A 76 ? 0.12677 0.09173 0.12029 0.01585  0.00510  0.00032  96  MET A CA   
1206 C  C    . MET A 76 ? 0.14138 0.09196 0.12640 0.01442  0.00637  0.00893  96  MET A C    
1207 O  O    . MET A 76 ? 0.14265 0.11905 0.14476 0.03513  -0.00015 0.01158  96  MET A O    
1208 C  CB   . MET A 76 ? 0.14571 0.08819 0.12950 0.01342  0.00422  -0.00201 96  MET A CB   
1209 C  CG   . MET A 76 ? 0.17318 0.10878 0.16452 0.00761  0.00120  0.01849  96  MET A CG   
1210 S  SD   . MET A 76 ? 0.20643 0.11834 0.22202 -0.01361 -0.00377 0.05596  96  MET A SD   
1211 C  CE   . MET A 76 ? 0.21597 0.14409 0.21182 -0.02046 0.02084  0.03258  96  MET A CE   
1212 H  H    . MET A 76 ? 0.13316 0.13316 0.13316 -0.00000 0.00000  -0.00000 96  MET A H    
1213 H  HA   . MET A 76 ? 0.13565 0.13565 0.13565 -0.00000 -0.00000 0.00000  96  MET A HA   
1214 H  HB2  . MET A 76 ? 0.14549 0.14549 0.14549 -0.00000 -0.00000 -0.00000 96  MET A HB2  
1215 H  HB3  . MET A 76 ? 0.14549 0.14549 0.14549 -0.00000 -0.00000 -0.00000 96  MET A HB3  
1216 H  HG2  . MET A 76 ? 0.17873 0.17873 0.17873 0.00000  -0.00000 0.00000  96  MET A HG2  
1217 H  HG3  . MET A 76 ? 0.17873 0.17873 0.17873 0.00000  -0.00000 0.00000  96  MET A HG3  
1218 H  HE1  . MET A 76 ? 0.22888 0.22888 0.22888 0.00000  0.00000  0.00000  96  MET A HE1  
1219 H  HE2  . MET A 76 ? 0.22888 0.22888 0.22888 0.00000  0.00000  0.00000  96  MET A HE2  
1220 H  HE3  . MET A 76 ? 0.22888 0.22888 0.22888 0.00000  0.00000  0.00000  96  MET A HE3  
1221 N  N    . GLN A 77 ? 0.14999 0.08428 0.14616 0.01845  0.00463  -0.00192 97  GLN A N    
1222 C  CA   . GLN A 77 ? 0.16839 0.08886 0.16517 0.02461  0.01108  0.00321  97  GLN A CA   
1223 C  C    . GLN A 77 ? 0.14695 0.08174 0.16738 0.02504  0.00286  -0.00082 97  GLN A C    
1224 O  O    . GLN A 77 ? 0.15714 0.08948 0.16704 0.01980  0.00652  -0.01124 97  GLN A O    
1225 C  CB   . GLN A 77 ? 0.22110 0.10017 0.21246 0.02312  0.03418  0.02719  97  GLN A CB   
1226 C  CG   . GLN A 77 ? 0.27829 0.12851 0.27278 0.01659  0.03956  0.03731  97  GLN A CG   
1227 C  CD   . GLN A 77 ? 0.33520 0.15620 0.32412 0.02244  0.04150  0.03571  97  GLN A CD   
1228 O  OE1  . GLN A 77 ? 0.35460 0.15866 0.33970 0.02136  0.03457  0.04421  97  GLN A OE1  
1229 N  NE2  . GLN A 77 ? 0.36203 0.16397 0.34304 0.01954  0.05013  0.03778  97  GLN A NE2  
1230 H  H    . GLN A 77 ? 0.15230 0.15230 0.15230 0.00000  0.00000  0.00000  97  GLN A H    
1231 H  HA   . GLN A 77 ? 0.16910 0.16910 0.16910 -0.00000 0.00000  0.00000  97  GLN A HA   
1232 H  HB2  . GLN A 77 ? 0.21362 0.21362 0.21362 -0.00000 -0.00000 0.00000  97  GLN A HB2  
1233 H  HB3  . GLN A 77 ? 0.21362 0.21362 0.21362 -0.00000 -0.00000 0.00000  97  GLN A HB3  
1234 H  HG2  . GLN A 77 ? 0.27196 0.27196 0.27196 -0.00000 -0.00000 0.00000  97  GLN A HG2  
1235 H  HG3  . GLN A 77 ? 0.27196 0.27196 0.27196 -0.00000 -0.00000 0.00000  97  GLN A HG3  
1236 H  HE21 . GLN A 77 ? 0.34775 0.34775 0.34775 -0.00000 0.00000  -0.00000 97  GLN A HE21 
1237 H  HE22 . GLN A 77 ? 0.34775 0.34775 0.34775 -0.00000 0.00000  -0.00000 97  GLN A HE22 
1238 N  N    . GLN A 78 ? 0.16454 0.09291 0.16826 0.02368  0.00515  -0.01901 98  GLN A N    
1239 C  CA   . GLN A 78 ? 0.16945 0.09867 0.17691 0.02340  0.02216  -0.01146 98  GLN A CA   
1240 C  C    . GLN A 78 ? 0.19511 0.10793 0.19531 0.00641  0.02842  -0.01754 98  GLN A C    
1241 O  O    . GLN A 78 ? 0.22355 0.11140 0.20001 -0.02128 0.02422  -0.00058 98  GLN A O    
1242 C  CB   . GLN A 78 ? 0.17929 0.15608 0.19416 0.04325  0.01511  -0.04168 98  GLN A CB   
1243 C  CG   . GLN A 78 ? 0.19649 0.21290 0.22742 0.05366  0.00365  -0.07290 98  GLN A CG   
1244 C  CD   . GLN A 78 ? 0.21650 0.25983 0.25512 0.06909  -0.01274 -0.10929 98  GLN A CD   
1245 O  OE1  . GLN A 78 ? 0.20836 0.28134 0.25302 0.08129  -0.02893 -0.10814 98  GLN A OE1  
1246 N  NE2  . GLN A 78 ? 0.24483 0.28446 0.28642 0.06486  -0.02152 -0.12129 98  GLN A NE2  
1247 H  H    . GLN A 78 ? 0.17042 0.17042 0.17042 0.00000  -0.00000 -0.00000 98  GLN A H    
1248 H  HA   . GLN A 78 ? 0.17815 0.17815 0.17815 0.00000  0.00000  0.00000  98  GLN A HA   
1249 H  HB2  . GLN A 78 ? 0.21194 0.21194 0.21194 0.00000  -0.00000 -0.00000 98  GLN A HB2  
1250 H  HB3  . GLN A 78 ? 0.21194 0.21194 0.21194 0.00000  -0.00000 -0.00000 98  GLN A HB3  
1251 H  HG2  . GLN A 78 ? 0.25485 0.25485 0.25485 -0.00000 -0.00000 -0.00000 98  GLN A HG2  
1252 H  HG3  . GLN A 78 ? 0.25485 0.25485 0.25485 -0.00000 -0.00000 -0.00000 98  GLN A HG3  
1253 H  HE21 . GLN A 78 ? 0.32642 0.32642 0.32642 0.00000  -0.00000 0.00000  98  GLN A HE21 
1254 H  HE22 . GLN A 78 ? 0.32642 0.32642 0.32642 0.00000  -0.00000 0.00000  98  GLN A HE22 
1255 N  N    . ASP A 79 ? 0.19419 0.10914 0.21893 -0.01116 0.04536  -0.04895 99  ASP A N    
1256 C  CA   . ASP A 79 ? 0.25215 0.13949 0.28811 -0.02664 0.04669  -0.06965 99  ASP A CA   
1257 C  C    . ASP A 79 ? 0.32603 0.17479 0.37388 -0.01618 0.04479  -0.10501 99  ASP A C    
1258 O  O    . ASP A 79 ? 0.38416 0.20178 0.38309 -0.00804 0.05938  -0.11555 99  ASP A O    
1259 C  CB   . ASP A 79 ? 0.25577 0.18041 0.28514 -0.04715 0.03739  -0.03303 99  ASP A CB   
1260 C  CG   . ASP A 79 ? 0.26610 0.21321 0.28970 -0.05530 0.01924  -0.00654 99  ASP A CG   
1261 O  OD1  . ASP A 79 ? 0.26418 0.21463 0.29399 -0.06327 0.01685  0.00135  99  ASP A OD1  
1262 O  OD2  . ASP A 79 ? 0.27182 0.24478 0.29340 -0.05444 0.01223  0.01198  99  ASP A OD2  
1263 H  H    . ASP A 79 ? 0.20904 0.20904 0.20904 0.00000  -0.00000 -0.00000 99  ASP A H    
1264 H  HA   . ASP A 79 ? 0.27203 0.27203 0.27203 0.00000  0.00000  0.00000  99  ASP A HA   
1265 H  HB2  . ASP A 79 ? 0.28866 0.28866 0.28866 -0.00000 -0.00000 -0.00000 99  ASP A HB2  
1266 H  HB3  . ASP A 79 ? 0.28866 0.28866 0.28866 -0.00000 -0.00000 -0.00000 99  ASP A HB3  
1267 N  N    . ARG A 80 ? 0.33805 0.20252 0.44423 0.00677  0.01223  -0.13270 100 ARG A N    
1268 C  CA   . ARG A 80 ? 0.35752 0.24846 0.50616 0.02209  -0.03075 -0.16141 100 ARG A CA   
1269 C  C    . ARG A 80 ? 0.37107 0.26501 0.53240 0.02206  -0.03831 -0.18356 100 ARG A C    
1270 O  O    . ARG A 80 ? 0.37716 0.27709 0.54250 0.01929  -0.03974 -0.18614 100 ARG A O    
1271 C  CB   . ARG A 80 ? 0.36221 0.28732 0.53459 0.03099  -0.06530 -0.16027 100 ARG A CB   
1272 C  CG   . ARG A 80 ? 0.35987 0.31712 0.55475 0.03112  -0.09572 -0.15836 100 ARG A CG   
1273 C  CD   . ARG A 80 ? 0.34997 0.34430 0.56886 0.02374  -0.12601 -0.15004 100 ARG A CD   
1274 N  NE   . ARG A 80 ? 0.33579 0.36205 0.57736 0.00811  -0.15379 -0.14178 100 ARG A NE   
1275 C  CZ   . ARG A 80 ? 0.32275 0.37892 0.58153 -0.01297 -0.17559 -0.13651 100 ARG A CZ   
1276 N  NH1  . ARG A 80 ? 0.31647 0.38696 0.58205 -0.01952 -0.18360 -0.13071 100 ARG A NH1  
1277 N  NH2  . ARG A 80 ? 0.31538 0.38302 0.58097 -0.02165 -0.18717 -0.13791 100 ARG A NH2  
1278 O  OXT  . ARG A 80 ? 0.37499 0.26700 0.54018 0.02300  -0.03971 -0.19275 100 ARG A OXT  
1279 H  H    . ARG A 80 ? 0.39405 0.39405 0.39405 -0.00000 -0.00000 0.00000  100 ARG A H    
1280 H  HA   . ARG A 80 ? 0.44499 0.44499 0.44499 0.00000  -0.00000 -0.00000 100 ARG A HA   
1281 H  HB2  . ARG A 80 ? 0.47378 0.47378 0.47378 0.00000  0.00000  0.00000  100 ARG A HB2  
1282 H  HB3  . ARG A 80 ? 0.47378 0.47378 0.47378 0.00000  0.00000  0.00000  100 ARG A HB3  
1283 H  HG2  . ARG A 80 ? 0.49283 0.49283 0.49283 0.00000  0.00000  -0.00000 100 ARG A HG2  
1284 H  HG3  . ARG A 80 ? 0.49283 0.49283 0.49283 0.00000  0.00000  -0.00000 100 ARG A HG3  
1285 H  HD2  . ARG A 80 ? 0.50538 0.50538 0.50538 -0.00000 -0.00000 0.00000  100 ARG A HD2  
1286 H  HD3  . ARG A 80 ? 0.50538 0.50538 0.50538 -0.00000 -0.00000 0.00000  100 ARG A HD3  
1287 H  HE   . ARG A 80 ? 0.51021 0.51021 0.51021 0.00000  -0.00000 -0.00000 100 ARG A HE   
1288 H  HH11 . ARG A 80 ? 0.51432 0.51432 0.51432 0.00000  0.00000  -0.00000 100 ARG A HH11 
1289 H  HH12 . ARG A 80 ? 0.51432 0.51432 0.51432 0.00000  0.00000  -0.00000 100 ARG A HH12 
1290 H  HH21 . ARG A 80 ? 0.51188 0.51188 0.51188 -0.00000 0.00000  0.00000  100 ARG A HH21 
1291 H  HH22 . ARG A 80 ? 0.51188 0.51188 0.51188 -0.00000 0.00000  0.00000  100 ARG A HH22 
1292 N  N    . GLU B 4  ? 0.72561 0.66127 0.49032 0.01697  -0.04430 0.14355  24  GLU B N    
1293 C  CA   . GLU B 4  ? 0.71574 0.64967 0.47958 0.01811  -0.04773 0.13852  24  GLU B CA   
1294 C  C    . GLU B 4  ? 0.68852 0.61484 0.45086 0.02164  -0.05979 0.12228  24  GLU B C    
1295 O  O    . GLU B 4  ? 0.70612 0.62749 0.46065 0.02053  -0.05374 0.12570  24  GLU B O    
1296 C  CB   . GLU B 4  ? 0.72440 0.66140 0.49065 0.01634  -0.04327 0.14303  24  GLU B CB   
1297 H  HA   . GLU B 4  ? 0.73813 0.73813 0.73813 -0.00000 -0.00000 0.00000  24  GLU B HA   
1298 N  N    . ALA B 5  ? 0.63112 0.55769 0.40218 0.02492  -0.08205 0.09858  25  ALA B N    
1299 C  CA   . ALA B 5  ? 0.56246 0.49025 0.33921 0.02458  -0.10478 0.07151  25  ALA B CA   
1300 C  C    . ALA B 5  ? 0.48122 0.39957 0.25489 0.01720  -0.12627 0.04723  25  ALA B C    
1301 O  O    . ALA B 5  ? 0.50281 0.39100 0.25300 0.02313  -0.12497 0.07748  25  ALA B O    
1302 C  CB   . ALA B 5  ? 0.56811 0.50403 0.35421 0.02778  -0.10194 0.06797  25  ALA B CB   
1303 H  H    . ALA B 5  ? 0.63653 0.63653 0.63653 0.00000  0.00000  0.00000  25  ALA B H    
1304 H  HA   . ALA B 5  ? 0.55690 0.55690 0.55690 0.00000  0.00000  0.00000  25  ALA B HA   
1305 H  HB1  . ALA B 5  ? 0.57067 0.57067 0.57067 0.00000  -0.00000 -0.00000 25  ALA B HB1  
1306 H  HB2  . ALA B 5  ? 0.57067 0.57067 0.57067 0.00000  -0.00000 -0.00000 25  ALA B HB2  
1307 H  HB3  . ALA B 5  ? 0.57067 0.57067 0.57067 0.00000  -0.00000 -0.00000 25  ALA B HB3  
1308 N  N    . PRO B 6  ? 0.37879 0.32073 0.18498 -0.00236 -0.12495 -0.02175 26  PRO B N    
1309 C  CA   . PRO B 6  ? 0.29751 0.24620 0.15381 -0.00211 -0.09290 -0.03199 26  PRO B CA   
1310 C  C    . PRO B 6  ? 0.20281 0.17545 0.12717 0.01403  -0.04873 -0.02026 26  PRO B C    
1311 O  O    . PRO B 6  ? 0.17734 0.18113 0.14355 0.02929  -0.03208 -0.01765 26  PRO B O    
1312 C  CB   . PRO B 6  ? 0.33629 0.26884 0.17544 -0.01810 -0.09254 -0.06275 26  PRO B CB   
1313 C  CG   . PRO B 6  ? 0.36122 0.30209 0.20379 -0.02446 -0.09447 -0.05474 26  PRO B CG   
1314 C  CD   . PRO B 6  ? 0.36948 0.31882 0.19737 -0.02219 -0.12269 -0.04927 26  PRO B CD   
1315 H  HA   . PRO B 6  ? 0.27914 0.27914 0.27914 -0.00000 -0.00000 0.00000  26  PRO B HA   
1316 H  HB2  . PRO B 6  ? 0.31235 0.31235 0.31235 0.00000  -0.00000 -0.00000 26  PRO B HB2  
1317 H  HB3  . PRO B 6  ? 0.31235 0.31235 0.31235 0.00000  -0.00000 -0.00000 26  PRO B HB3  
1318 H  HG2  . PRO B 6  ? 0.34697 0.34697 0.34697 0.00000  0.00000  0.00000  26  PRO B HG2  
1319 H  HG3  . PRO B 6  ? 0.34697 0.34697 0.34697 0.00000  0.00000  0.00000  26  PRO B HG3  
1320 H  HD2  . PRO B 6  ? 0.35440 0.35440 0.35440 -0.00000 0.00000  -0.00000 26  PRO B HD2  
1321 H  HD3  . PRO B 6  ? 0.35440 0.35440 0.35440 -0.00000 0.00000  -0.00000 26  PRO B HD3  
1322 N  N    . TRP B 7  ? 0.17059 0.14389 0.11167 0.01583  -0.03317 0.00331  27  TRP B N    
1323 C  CA   . TRP B 7  ? 0.16306 0.12262 0.12099 0.01573  -0.02948 0.00604  27  TRP B CA   
1324 C  C    . TRP B 7  ? 0.15974 0.11413 0.11474 0.02221  -0.02872 -0.00028 27  TRP B C    
1325 O  O    . TRP B 7  ? 0.18343 0.12023 0.11336 0.02721  -0.02172 -0.01579 27  TRP B O    
1326 C  CB   . TRP B 7  ? 0.16218 0.12533 0.13685 0.01560  -0.03184 0.02038  27  TRP B CB   
1327 C  CG   . TRP B 7  ? 0.18103 0.12386 0.16371 0.01358  -0.03303 0.03221  27  TRP B CG   
1328 C  CD1  . TRP B 7  ? 0.19253 0.14035 0.18149 0.00717  -0.03558 0.04425  27  TRP B CD1  
1329 C  CD2  . TRP B 7  ? 0.20512 0.12150 0.18920 0.02822  -0.04678 0.02667  27  TRP B CD2  
1330 N  NE1  . TRP B 7  ? 0.20064 0.14481 0.20038 0.01648  -0.03564 0.04131  27  TRP B NE1  
1331 C  CE2  . TRP B 7  ? 0.21034 0.13068 0.21441 0.03061  -0.03820 0.02585  27  TRP B CE2  
1332 C  CE3  . TRP B 7  ? 0.24061 0.12106 0.21134 0.02350  -0.04566 0.00856  27  TRP B CE3  
1333 C  CZ2  . TRP B 7  ? 0.23727 0.12852 0.23878 0.03598  -0.04188 0.01762  27  TRP B CZ2  
1334 C  CZ3  . TRP B 7  ? 0.26090 0.13506 0.23534 0.02941  -0.04479 -0.00647 27  TRP B CZ3  
1335 C  CH2  . TRP B 7  ? 0.26373 0.13121 0.24684 0.03438  -0.03952 -0.00218 27  TRP B CH2  
1336 H  H    . TRP B 7  ? 0.17059 0.17059 0.17059 0.00000  -0.00000 0.00000  27  TRP B H    
1337 H  HA   . TRP B 7  ? 0.16280 0.16280 0.16280 0.00000  0.00000  -0.00000 27  TRP B HA   
1338 H  HB2  . TRP B 7  ? 0.16987 0.16987 0.16987 0.00000  -0.00000 0.00000  27  TRP B HB2  
1339 H  HB3  . TRP B 7  ? 0.16987 0.16987 0.16987 0.00000  -0.00000 0.00000  27  TRP B HB3  
1340 H  HD1  . TRP B 7  ? 0.20588 0.20588 0.20588 -0.00000 -0.00000 0.00000  27  TRP B HD1  
1341 H  HE1  . TRP B 7  ? 0.21846 0.21846 0.21846 -0.00000 0.00000  0.00000  27  TRP B HE1  
1342 H  HE3  . TRP B 7  ? 0.22934 0.22934 0.22934 0.00000  0.00000  0.00000  27  TRP B HE3  
1343 H  HZ2  . TRP B 7  ? 0.24196 0.24196 0.24196 0.00000  -0.00000 -0.00000 27  TRP B HZ2  
1344 H  HZ3  . TRP B 7  ? 0.25265 0.25265 0.25265 -0.00000 -0.00000 -0.00000 27  TRP B HZ3  
1345 H  HH2  . TRP B 7  ? 0.25684 0.25684 0.25684 -0.00000 -0.00000 -0.00000 27  TRP B HH2  
1346 N  N    . VAL B 8  ? 0.15431 0.10807 0.10116 0.01695  -0.02474 -0.00519 28  VAL B N    
1347 C  CA   . VAL B 8  ? 0.14374 0.08881 0.10609 0.00907  -0.01511 -0.00216 28  VAL B CA   
1348 C  C    . VAL B 8  ? 0.14760 0.07335 0.10426 0.00720  -0.01574 -0.00452 28  VAL B C    
1349 O  O    . VAL B 8  ? 0.16440 0.08790 0.11945 0.01799  -0.03028 -0.00593 28  VAL B O    
1350 C  CB   . VAL B 8  ? 0.15142 0.11939 0.14004 0.00680  -0.01275 0.00431  28  VAL B CB   
1351 C  CG1  . VAL B 8  ? 0.15792 0.14397 0.15788 -0.00290 -0.01672 0.00567  28  VAL B CG1  
1352 C  CG2  . VAL B 8  ? 0.15656 0.14845 0.15138 0.01292  0.00307  0.00178  28  VAL B CG2  
1353 H  H    . VAL B 8  ? 0.14555 0.14555 0.14555 -0.00000 0.00000  0.00000  28  VAL B H    
1354 H  HA   . VAL B 8  ? 0.13559 0.13559 0.13559 -0.00000 0.00000  0.00000  28  VAL B HA   
1355 H  HB   . VAL B 8  ? 0.16447 0.16447 0.16447 0.00000  -0.00000 0.00000  28  VAL B HB   
1356 H  HG11 . VAL B 8  ? 0.18404 0.18404 0.18404 -0.00000 -0.00000 -0.00000 28  VAL B HG11 
1357 H  HG12 . VAL B 8  ? 0.18404 0.18404 0.18404 -0.00000 -0.00000 -0.00000 28  VAL B HG12 
1358 H  HG13 . VAL B 8  ? 0.18404 0.18404 0.18404 -0.00000 -0.00000 -0.00000 28  VAL B HG13 
1359 H  HG21 . VAL B 8  ? 0.18269 0.18269 0.18269 0.00000  0.00000  -0.00000 28  VAL B HG21 
1360 H  HG22 . VAL B 8  ? 0.18269 0.18269 0.18269 0.00000  0.00000  -0.00000 28  VAL B HG22 
1361 H  HG23 . VAL B 8  ? 0.18269 0.18269 0.18269 0.00000  0.00000  -0.00000 28  VAL B HG23 
1362 N  N    . THR B 9  ? 0.14087 0.07174 0.09196 0.00851  -0.00599 -0.00288 29  THR B N    
1363 C  CA   . THR B 9  ? 0.13488 0.07016 0.08856 0.00406  -0.00379 0.00011  29  THR B CA   
1364 C  C    . THR B 9  ? 0.12683 0.06621 0.09345 0.01274  -0.00577 -0.00598 29  THR B C    
1365 O  O    . THR B 9  ? 0.13934 0.07220 0.10026 0.00275  0.00179  -0.00460 29  THR B O    
1366 C  CB   . THR B 9  ? 0.13125 0.08190 0.09207 -0.00247 -0.00283 0.00666  29  THR B CB   
1367 O  OG1  . THR B 9  ? 0.13825 0.11288 0.10531 -0.01208 -0.00108 0.00617  29  THR B OG1  
1368 C  CG2  . THR B 9  ? 0.13394 0.10093 0.10196 0.00136  -0.00858 0.00918  29  THR B CG2  
1369 H  H    . THR B 9  ? 0.12196 0.12196 0.12196 0.00000  0.00000  0.00000  29  THR B H    
1370 H  HA   . THR B 9  ? 0.11757 0.11757 0.11757 -0.00000 0.00000  -0.00000 29  THR B HA   
1371 H  HB   . THR B 9  ? 0.12222 0.12222 0.12222 0.00000  0.00000  0.00000  29  THR B HB   
1372 H  HG1  . THR B 9  ? 0.14271 0.14271 0.14271 0.00000  -0.00000 0.00000  29  THR B HG1  
1373 H  HG21 . THR B 9  ? 0.13487 0.13487 0.13487 -0.00000 -0.00000 0.00000  29  THR B HG21 
1374 H  HG22 . THR B 9  ? 0.13487 0.13487 0.13487 -0.00000 -0.00000 0.00000  29  THR B HG22 
1375 H  HG23 . THR B 9  ? 0.13487 0.13487 0.13487 -0.00000 -0.00000 0.00000  29  THR B HG23 
1376 N  N    . ILE B 10 ? 0.13970 0.07311 0.09326 0.00664  -0.00346 -0.00673 30  ILE B N    
1377 C  CA   . ILE B 10 ? 0.13655 0.08408 0.09406 0.01545  0.00368  -0.00467 30  ILE B CA   
1378 C  C    . ILE B 10 ? 0.13658 0.07095 0.09429 0.01182  0.00100  -0.01475 30  ILE B C    
1379 O  O    . ILE B 10 ? 0.16593 0.08022 0.10384 0.00544  -0.01943 0.00621  30  ILE B O    
1380 C  CB   . ILE B 10 ? 0.14819 0.11965 0.10600 0.03120  -0.00375 -0.00287 30  ILE B CB   
1381 C  CG1  . ILE B 10 ? 0.15921 0.17339 0.13323 0.04075  -0.00043 0.00034  30  ILE B CG1  
1382 C  CG2  . ILE B 10 ? 0.15741 0.12933 0.11480 0.04414  0.01430  -0.00851 30  ILE B CG2  
1383 C  CD1  . ILE B 10 ? 0.17731 0.21096 0.16480 0.04914  -0.00738 0.00205  30  ILE B CD1  
1384 H  H    . ILE B 10 ? 0.12256 0.12256 0.12256 0.00000  0.00000  -0.00000 30  ILE B H    
1385 H  HA   . ILE B 10 ? 0.12601 0.12601 0.12601 0.00000  0.00000  0.00000  30  ILE B HA   
1386 H  HB   . ILE B 10 ? 0.14967 0.14967 0.14967 -0.00000 -0.00000 0.00000  30  ILE B HB   
1387 H  HG12 . ILE B 10 ? 0.18646 0.18646 0.18646 -0.00000 0.00000  0.00000  30  ILE B HG12 
1388 H  HG13 . ILE B 10 ? 0.18646 0.18646 0.18646 -0.00000 0.00000  0.00000  30  ILE B HG13 
1389 H  HG21 . ILE B 10 ? 0.16075 0.16075 0.16075 -0.00000 0.00000  0.00000  30  ILE B HG21 
1390 H  HG22 . ILE B 10 ? 0.16075 0.16075 0.16075 -0.00000 0.00000  0.00000  30  ILE B HG22 
1391 H  HG23 . ILE B 10 ? 0.16075 0.16075 0.16075 -0.00000 0.00000  0.00000  30  ILE B HG23 
1392 H  HD11 . ILE B 10 ? 0.22136 0.22136 0.22136 0.00000  -0.00000 0.00000  30  ILE B HD11 
1393 H  HD12 . ILE B 10 ? 0.22136 0.22136 0.22136 0.00000  -0.00000 0.00000  30  ILE B HD12 
1394 H  HD13 . ILE B 10 ? 0.22136 0.22136 0.22136 0.00000  -0.00000 0.00000  30  ILE B HD13 
1395 N  N    . VAL B 11 ? 0.12471 0.07588 0.08827 0.00346  0.00730  -0.00747 31  VAL B N    
1396 C  CA   . VAL B 11 ? 0.12129 0.07347 0.09110 0.00898  0.00283  -0.00158 31  VAL B CA   
1397 C  C    . VAL B 11 ? 0.12038 0.07633 0.08868 0.00449  0.00726  -0.00096 31  VAL B C    
1398 O  O    . VAL B 11 ? 0.13759 0.09510 0.09532 -0.00113 0.01253  -0.00810 31  VAL B O    
1399 C  CB   . VAL B 11 ? 0.12894 0.07223 0.09263 0.00583  0.01363  0.00003  31  VAL B CB   
1400 C  CG1  . VAL B 11 ? 0.12549 0.08316 0.10511 0.01501  0.00696  -0.00010 31  VAL B CG1  
1401 C  CG2  . VAL B 11 ? 0.13426 0.08292 0.10454 0.01113  0.01633  0.00175  31  VAL B CG2  
1402 H  H    . VAL B 11 ? 0.11568 0.11568 0.11568 0.00000  0.00000  0.00000  31  VAL B H    
1403 H  HA   . VAL B 11 ? 0.11447 0.11447 0.11447 0.00000  0.00000  -0.00000 31  VAL B HA   
1404 H  HB   . VAL B 11 ? 0.11765 0.11765 0.11765 -0.00000 0.00000  0.00000  31  VAL B HB   
1405 H  HG11 . VAL B 11 ? 0.12564 0.12564 0.12564 0.00000  -0.00000 -0.00000 31  VAL B HG11 
1406 H  HG12 . VAL B 11 ? 0.12564 0.12564 0.12564 0.00000  -0.00000 -0.00000 31  VAL B HG12 
1407 H  HG13 . VAL B 11 ? 0.12564 0.12564 0.12564 0.00000  -0.00000 -0.00000 31  VAL B HG13 
1408 H  HG21 . VAL B 11 ? 0.12882 0.12882 0.12882 0.00000  0.00000  0.00000  31  VAL B HG21 
1409 H  HG22 . VAL B 11 ? 0.12882 0.12882 0.12882 0.00000  0.00000  0.00000  31  VAL B HG22 
1410 H  HG23 . VAL B 11 ? 0.12882 0.12882 0.12882 0.00000  0.00000  0.00000  31  VAL B HG23 
1411 N  N    . TRP B 12 ? 0.11973 0.08655 0.08842 0.00845  0.00945  -0.00958 32  TRP B N    
1412 C  CA   . TRP B 12 ? 0.13037 0.09342 0.09131 0.01378  0.01151  -0.00534 32  TRP B CA   
1413 C  C    . TRP B 12 ? 0.12898 0.09091 0.09373 0.01551  0.00977  -0.01241 32  TRP B C    
1414 O  O    . TRP B 12 ? 0.13227 0.12655 0.09738 0.01606  0.01212  0.00172  32  TRP B O    
1415 C  CB   . TRP B 12 ? 0.15351 0.09931 0.09396 0.01558  0.00611  -0.01356 32  TRP B CB   
1416 C  CG   . TRP B 12 ? 0.17397 0.11318 0.09540 0.03691  -0.00366 -0.01581 32  TRP B CG   
1417 C  CD1  . TRP B 12 ? 0.19065 0.11260 0.09948 0.04339  -0.00423 -0.01539 32  TRP B CD1  
1418 C  CD2  . TRP B 12 ? 0.18473 0.14383 0.11549 0.06522  -0.00723 -0.01996 32  TRP B CD2  
1419 N  NE1  . TRP B 12 ? 0.21302 0.13676 0.10260 0.05641  -0.01371 -0.00984 32  TRP B NE1  
1420 C  CE2  . TRP B 12 ? 0.20286 0.15288 0.11645 0.07453  -0.01039 -0.01796 32  TRP B CE2  
1421 C  CE3  . TRP B 12 ? 0.19256 0.18834 0.14604 0.07061  -0.00014 -0.01564 32  TRP B CE3  
1422 C  CZ2  . TRP B 12 ? 0.21788 0.19334 0.13518 0.08202  -0.01876 -0.01245 32  TRP B CZ2  
1423 C  CZ3  . TRP B 12 ? 0.19734 0.22493 0.17016 0.07680  -0.00616 -0.01171 32  TRP B CZ3  
1424 C  CH2  . TRP B 12 ? 0.21609 0.22592 0.16889 0.07331  -0.01388 -0.01094 32  TRP B CH2  
1425 H  H    . TRP B 12 ? 0.11801 0.11801 0.11801 0.00000  0.00000  0.00000  32  TRP B H    
1426 H  HA   . TRP B 12 ? 0.12617 0.12617 0.12617 -0.00000 -0.00000 0.00000  32  TRP B HA   
1427 H  HB2  . TRP B 12 ? 0.13885 0.13885 0.13885 -0.00000 0.00000  0.00000  32  TRP B HB2  
1428 H  HB3  . TRP B 12 ? 0.13885 0.13885 0.13885 -0.00000 0.00000  0.00000  32  TRP B HB3  
1429 H  HD1  . TRP B 12 ? 0.16122 0.16122 0.16122 0.00000  -0.00000 0.00000  32  TRP B HD1  
1430 H  HE1  . TRP B 12 ? 0.18109 0.18109 0.18109 -0.00000 0.00000  0.00000  32  TRP B HE1  
1431 H  HE3  . TRP B 12 ? 0.21091 0.21091 0.21091 0.00000  0.00000  0.00000  32  TRP B HE3  
1432 H  HZ2  . TRP B 12 ? 0.21869 0.21869 0.21869 0.00000  0.00000  0.00000  32  TRP B HZ2  
1433 H  HZ3  . TRP B 12 ? 0.23710 0.23710 0.23710 -0.00000 0.00000  0.00000  32  TRP B HZ3  
1434 H  HH2  . TRP B 12 ? 0.24449 0.24449 0.24449 -0.00000 0.00000  0.00000  32  TRP B HH2  
1435 N  N    . ASP B 13 ? 0.13880 0.09716 0.08989 0.00890  0.01486  -0.00105 33  ASP B N    
1436 C  CA   . ASP B 13 ? 0.15471 0.08990 0.09975 0.01092  0.01180  -0.00552 33  ASP B CA   
1437 C  C    . ASP B 13 ? 0.16282 0.08359 0.09827 0.02074  0.00847  -0.00558 33  ASP B C    
1438 O  O    . ASP B 13 ? 0.17016 0.10793 0.14512 0.03736  -0.00719 -0.03450 33  ASP B O    
1439 C  CB   . ASP B 13 ? 0.18189 0.10168 0.11781 0.00142  0.02368  0.00072  33  ASP B CB   
1440 C  CG   . ASP B 13 ? 0.23133 0.13062 0.14263 -0.00431 0.03034  0.01442  33  ASP B CG   
1441 O  OD1  . ASP B 13 ? 0.24076 0.13458 0.17122 0.00778  0.01259  0.03429  33  ASP B OD1  
1442 O  OD2  . ASP B 13 ? 0.27920 0.17629 0.15634 -0.00153 0.03792  0.03892  33  ASP B OD2  
1443 H  H    . ASP B 13 ? 0.13047 0.13047 0.13047 -0.00000 -0.00000 0.00000  33  ASP B H    
1444 H  HA   . ASP B 13 ? 0.13787 0.13787 0.13787 -0.00000 0.00000  0.00000  33  ASP B HA   
1445 H  HB2  . ASP B 13 ? 0.16068 0.16068 0.16068 -0.00000 -0.00000 -0.00000 33  ASP B HB2  
1446 H  HB3  . ASP B 13 ? 0.16068 0.16068 0.16068 -0.00000 -0.00000 -0.00000 33  ASP B HB3  
1447 N  N    . ASP B 14 ? 0.16073 0.09122 0.10197 0.02649  0.00231  -0.01211 34  ASP B N    
1448 C  CA   . ASP B 14 ? 0.17537 0.10041 0.09300 0.02602  0.00982  -0.00528 34  ASP B CA   
1449 C  C    . ASP B 14 ? 0.21477 0.16096 0.10274 0.03853  0.03063  0.01090  34  ASP B C    
1450 O  O    . ASP B 14 ? 0.23560 0.11771 0.12571 0.01878  -0.00523 0.01526  34  ASP B O    
1451 C  CB   . ASP B 14 ? 0.18497 0.09808 0.09760 0.03209  0.01448  -0.01139 34  ASP B CB   
1452 C  CG   . ASP B 14 ? 0.19590 0.11345 0.10760 0.02257  0.01194  0.00234  34  ASP B CG   
1453 O  OD1  . ASP B 14 ? 0.21094 0.13237 0.11996 0.02537  0.00049  -0.01371 34  ASP B OD1  
1454 O  OD2  . ASP B 14 ? 0.20289 0.13996 0.13283 0.01413  0.00425  0.00058  34  ASP B OD2  
1455 H  H    . ASP B 14 ? 0.14170 0.14170 0.14170 -0.00000 -0.00000 -0.00000 34  ASP B H    
1456 H  HA   . ASP B 14 ? 0.14765 0.14765 0.14765 -0.00000 -0.00000 0.00000  34  ASP B HA   
1457 H  HB2  . ASP B 14 ? 0.15239 0.15239 0.15239 0.00000  0.00000  0.00000  34  ASP B HB2  
1458 H  HB3  . ASP B 14 ? 0.15239 0.15239 0.15239 0.00000  0.00000  0.00000  34  ASP B HB3  
1459 N  N    . PRO B 15 ? 0.29520 0.22431 0.13101 0.06220  0.05948  0.03078  35  PRO B N    
1460 C  CA   . PRO B 15 ? 0.35553 0.25503 0.15084 0.06511  0.05203  0.05075  35  PRO B CA   
1461 C  C    . PRO B 15 ? 0.38594 0.24137 0.14351 0.08492  0.01598  0.05317  35  PRO B C    
1462 O  O    . PRO B 15 ? 0.41342 0.24763 0.17086 0.06670  0.01828  0.07412  35  PRO B O    
1463 C  CB   . PRO B 15 ? 0.37093 0.28743 0.17055 0.06554  0.07499  0.04654  35  PRO B CB   
1464 C  CG   . PRO B 15 ? 0.37065 0.29462 0.18367 0.06887  0.08107  0.02365  35  PRO B CG   
1465 C  CD   . PRO B 15 ? 0.33447 0.26817 0.16736 0.07199  0.08355  0.01776  35  PRO B CD   
1466 H  HA   . PRO B 15 ? 0.30469 0.30469 0.30469 0.00000  -0.00000 0.00000  35  PRO B HA   
1467 H  HB2  . PRO B 15 ? 0.33170 0.33170 0.33170 0.00000  -0.00000 0.00000  35  PRO B HB2  
1468 H  HB3  . PRO B 15 ? 0.33170 0.33170 0.33170 0.00000  -0.00000 0.00000  35  PRO B HB3  
1469 H  HG2  . PRO B 15 ? 0.33971 0.33971 0.33971 -0.00000 0.00000  -0.00000 35  PRO B HG2  
1470 H  HG3  . PRO B 15 ? 0.33971 0.33971 0.33971 -0.00000 0.00000  -0.00000 35  PRO B HG3  
1471 H  HD2  . PRO B 15 ? 0.30813 0.30813 0.30813 0.00000  -0.00000 -0.00000 35  PRO B HD2  
1472 H  HD3  . PRO B 15 ? 0.30813 0.30813 0.30813 0.00000  -0.00000 -0.00000 35  PRO B HD3  
1473 N  N    . VAL B 16 ? 0.37510 0.22145 0.13669 0.12609  -0.02838 0.01936  36  VAL B N    
1474 C  CA   . VAL B 16 ? 0.38268 0.21953 0.18188 0.14199  -0.06856 -0.00464 36  VAL B CA   
1475 C  C    . VAL B 16 ? 0.36706 0.19664 0.18305 0.13066  -0.07003 -0.00780 36  VAL B C    
1476 O  O    . VAL B 16 ? 0.37701 0.20632 0.20076 0.13290  -0.07436 -0.00070 36  VAL B O    
1477 C  CB   . VAL B 16 ? 0.40815 0.25182 0.23672 0.13923  -0.09812 -0.03631 36  VAL B CB   
1478 C  CG1  . VAL B 16 ? 0.42291 0.26916 0.26910 0.13484  -0.10055 -0.03705 36  VAL B CG1  
1479 C  CG2  . VAL B 16 ? 0.41640 0.25795 0.24070 0.13970  -0.11300 -0.05565 36  VAL B CG2  
1480 H  H    . VAL B 16 ? 0.29343 0.29343 0.29343 -0.00000 0.00000  -0.00000 36  VAL B H    
1481 H  HA   . VAL B 16 ? 0.31377 0.31377 0.31377 -0.00000 0.00000  0.00000  36  VAL B HA   
1482 H  HB   . VAL B 16 ? 0.35881 0.35881 0.35881 0.00000  0.00000  0.00000  36  VAL B HB   
1483 H  HG11 . VAL B 16 ? 0.38460 0.38460 0.38460 -0.00000 0.00000  0.00000  36  VAL B HG11 
1484 H  HG12 . VAL B 16 ? 0.38460 0.38460 0.38460 -0.00000 0.00000  0.00000  36  VAL B HG12 
1485 H  HG13 . VAL B 16 ? 0.38460 0.38460 0.38460 -0.00000 0.00000  0.00000  36  VAL B HG13 
1486 H  HG21 . VAL B 16 ? 0.36615 0.36615 0.36615 0.00000  0.00000  0.00000  36  VAL B HG21 
1487 H  HG22 . VAL B 16 ? 0.36615 0.36615 0.36615 0.00000  0.00000  0.00000  36  VAL B HG22 
1488 H  HG23 . VAL B 16 ? 0.36615 0.36615 0.36615 0.00000  0.00000  0.00000  36  VAL B HG23 
1489 N  N    . ASN B 17 ? 0.34715 0.16550 0.16924 0.11707  -0.06432 -0.01864 37  ASN B N    
1490 C  CA   . ASN B 17 ? 0.33352 0.14742 0.16926 0.10277  -0.04976 -0.00339 37  ASN B CA   
1491 C  C    . ASN B 17 ? 0.30889 0.15735 0.18211 0.09433  -0.02154 -0.00562 37  ASN B C    
1492 O  O    . ASN B 17 ? 0.31661 0.16756 0.21066 0.11081  -0.01295 -0.00133 37  ASN B O    
1493 C  CB   . ASN B 17 ? 0.33780 0.13226 0.16659 0.09222  -0.04646 -0.00856 37  ASN B CB   
1494 C  CG   . ASN B 17 ? 0.33097 0.15014 0.16978 0.08278  -0.04314 -0.00050 37  ASN B CG   
1495 O  OD1  . ASN B 17 ? 0.32568 0.17613 0.21292 0.07967  -0.06109 0.02615  37  ASN B OD1  
1496 N  ND2  . ASN B 17 ? 0.31758 0.13035 0.15928 0.09346  -0.01514 0.00224  37  ASN B ND2  
1497 H  H    . ASN B 17 ? 0.27289 0.27289 0.27289 -0.00000 -0.00000 -0.00000 37  ASN B H    
1498 H  HA   . ASN B 17 ? 0.26021 0.26021 0.26021 -0.00000 0.00000  0.00000  37  ASN B HA   
1499 H  HB2  . ASN B 17 ? 0.25479 0.25479 0.25479 -0.00000 0.00000  -0.00000 37  ASN B HB2  
1500 H  HB3  . ASN B 17 ? 0.25479 0.25479 0.25479 -0.00000 0.00000  -0.00000 37  ASN B HB3  
1501 H  HD21 . ASN B 17 ? 0.24301 0.24301 0.24301 -0.00000 -0.00000 -0.00000 37  ASN B HD21 
1502 H  HD22 . ASN B 17 ? 0.24301 0.24301 0.24301 -0.00000 -0.00000 -0.00000 37  ASN B HD22 
1503 N  N    . LEU B 18 ? 0.27343 0.14241 0.16826 0.10250  -0.01443 0.00794  38  LEU B N    
1504 C  CA   . LEU B 18 ? 0.24513 0.14457 0.14725 0.09152  0.00259  0.01120  38  LEU B CA   
1505 C  C    . LEU B 18 ? 0.21300 0.15467 0.13225 0.08709  0.01107  0.02668  38  LEU B C    
1506 O  O    . LEU B 18 ? 0.21717 0.14116 0.13874 0.07545  0.01835  0.03712  38  LEU B O    
1507 C  CB   . LEU B 18 ? 0.25204 0.14701 0.13727 0.09367  -0.01492 0.01006  38  LEU B CB   
1508 C  CG   . LEU B 18 ? 0.26976 0.16251 0.13310 0.07852  -0.02302 0.00836  38  LEU B CG   
1509 C  CD1  . LEU B 18 ? 0.27044 0.16496 0.14844 0.08149  -0.04340 -0.00733 38  LEU B CD1  
1510 C  CD2  . LEU B 18 ? 0.29114 0.20376 0.15492 0.05062  -0.01675 0.02373  38  LEU B CD2  
1511 H  H    . LEU B 18 ? 0.23377 0.23377 0.23377 0.00000  0.00000  0.00000  38  LEU B H    
1512 H  HA   . LEU B 18 ? 0.21491 0.21491 0.21491 -0.00000 0.00000  0.00000  38  LEU B HA   
1513 H  HB2  . LEU B 18 ? 0.21466 0.21466 0.21466 0.00000  -0.00000 -0.00000 38  LEU B HB2  
1514 H  HB3  . LEU B 18 ? 0.21466 0.21466 0.21466 0.00000  -0.00000 -0.00000 38  LEU B HB3  
1515 H  HG   . LEU B 18 ? 0.22628 0.22628 0.22628 -0.00000 -0.00000 0.00000  38  LEU B HG   
1516 H  HD11 . LEU B 18 ? 0.23367 0.23367 0.23367 0.00000  0.00000  0.00000  38  LEU B HD11 
1517 H  HD12 . LEU B 18 ? 0.23367 0.23367 0.23367 0.00000  0.00000  0.00000  38  LEU B HD12 
1518 H  HD13 . LEU B 18 ? 0.23367 0.23367 0.23367 0.00000  0.00000  0.00000  38  LEU B HD13 
1519 H  HD21 . LEU B 18 ? 0.26006 0.26006 0.26006 0.00000  0.00000  -0.00000 38  LEU B HD21 
1520 H  HD22 . LEU B 18 ? 0.26006 0.26006 0.26006 0.00000  0.00000  -0.00000 38  LEU B HD22 
1521 H  HD23 . LEU B 18 ? 0.26006 0.26006 0.26006 0.00000  0.00000  -0.00000 38  LEU B HD23 
1522 N  N    . MET B 19 ? 0.18949 0.20053 0.13367 0.06353  0.01169  0.05172  39  MET B N    
1523 C  CA   . MET B 19 ? 0.16852 0.21874 0.14880 0.03862  0.01617  0.07696  39  MET B CA   
1524 C  C    . MET B 19 ? 0.15855 0.17514 0.12872 0.02097  0.00435  0.06302  39  MET B C    
1525 O  O    . MET B 19 ? 0.14529 0.18358 0.12959 0.01901  0.00475  0.06474  39  MET B O    
1526 C  CB   . MET B 19 ? 0.18221 0.28702 0.20174 0.02025  0.04023  0.09083  39  MET B CB   
1527 C  CG   . MET B 19 ? 0.22225 0.34955 0.28579 -0.00055 0.06638  0.08420  39  MET B CG   
1528 S  SD   . MET B 19 ? 0.27132 0.39788 0.35967 -0.02540 0.07594  0.08838  39  MET B SD   
1529 C  CE   . MET B 19 ? 0.27710 0.41012 0.36251 -0.05092 0.09345  0.09562  39  MET B CE   
1530 H  H    . MET B 19 ? 0.20960 0.20960 0.20960 0.00000  -0.00000 -0.00000 39  MET B H    
1531 H  HA   . MET B 19 ? 0.21455 0.21455 0.21455 -0.00000 -0.00000 -0.00000 39  MET B HA   
1532 H  HB2  . MET B 19 ? 0.26852 0.26852 0.26852 0.00000  -0.00000 0.00000  39  MET B HB2  
1533 H  HB3  . MET B 19 ? 0.26852 0.26852 0.26852 0.00000  -0.00000 0.00000  39  MET B HB3  
1534 H  HG2  . MET B 19 ? 0.34316 0.34316 0.34316 0.00000  -0.00000 -0.00000 39  MET B HG2  
1535 H  HG3  . MET B 19 ? 0.34316 0.34316 0.34316 0.00000  -0.00000 -0.00000 39  MET B HG3  
1536 H  HE1  . MET B 19 ? 0.42002 0.42002 0.42002 -0.00000 0.00000  -0.00000 39  MET B HE1  
1537 H  HE2  . MET B 19 ? 0.42002 0.42002 0.42002 -0.00000 0.00000  -0.00000 39  MET B HE2  
1538 H  HE3  . MET B 19 ? 0.42002 0.42002 0.42002 -0.00000 0.00000  -0.00000 39  MET B HE3  
1539 N  N    . SER B 20 ? 0.15898 0.13552 0.11742 0.01289  -0.00675 0.05094  40  SER B N    
1540 C  CA   A SER B 20 ? 0.17115 0.10536 0.12343 0.00214  -0.00684 0.03964  40  SER B CA   
1541 C  CA   B SER B 20 ? 0.16077 0.11505 0.11708 0.01231  -0.00556 0.04123  40  SER B CA   
1542 C  C    . SER B 20 ? 0.15484 0.09438 0.10706 0.01816  -0.00780 0.03108  40  SER B C    
1543 O  O    . SER B 20 ? 0.15330 0.07765 0.12086 0.01867  -0.00253 0.01852  40  SER B O    
1544 C  CB   A SER B 20 ? 0.17622 0.10052 0.12483 0.00159  -0.00229 0.04576  40  SER B CB   
1545 C  CB   B SER B 20 ? 0.16416 0.11771 0.12255 0.01115  -0.00215 0.04317  40  SER B CB   
1546 O  OG   A SER B 20 ? 0.15004 0.10819 0.12459 0.01519  -0.01182 0.04435  40  SER B OG   
1547 O  OG   B SER B 20 ? 0.16340 0.11928 0.12661 0.01578  -0.00128 0.04652  40  SER B OG   
1548 H  H    . SER B 20 ? 0.16490 0.16490 0.16490 -0.00000 0.00000  0.00000  40  SER B H    
1549 H  HA   . SER B 20 ? 0.15729 0.15729 0.15729 0.00000  0.00000  0.00000  40  SER B HA   
1550 H  HB2  A SER B 20 ? 0.16076 0.16076 0.16076 0.00000  -0.00000 0.00000  40  SER B HB2  
1551 H  HB2  B SER B 20 ? 0.16190 0.16190 0.16190 0.00000  -0.00000 0.00000  40  SER B HB2  
1552 H  HB3  A SER B 20 ? 0.16076 0.16076 0.16076 0.00000  -0.00000 0.00000  40  SER B HB3  
1553 H  HB3  B SER B 20 ? 0.16190 0.16190 0.16190 0.00000  -0.00000 0.00000  40  SER B HB3  
1554 H  HG   A SER B 20 ? 0.15326 0.15326 0.15326 0.00000  -0.00000 0.00000  40  SER B HG   
1555 H  HG   B SER B 20 ? 0.16385 0.16385 0.16385 -0.00000 -0.00000 -0.00000 40  SER B HG   
1556 N  N    . TYR B 21 ? 0.15748 0.08931 0.09575 0.01486  -0.00667 0.02949  41  TYR B N    
1557 C  CA   . TYR B 21 ? 0.15927 0.08462 0.09474 0.01496  -0.00897 0.02195  41  TYR B CA   
1558 C  C    . TYR B 21 ? 0.14924 0.07440 0.08418 0.01521  -0.00574 0.01860  41  TYR B C    
1559 O  O    . TYR B 21 ? 0.14477 0.08414 0.08623 0.00968  -0.01045 0.01216  41  TYR B O    
1560 C  CB   . TYR B 21 ? 0.16568 0.09685 0.08688 0.01457  -0.02614 0.01862  41  TYR B CB   
1561 C  CG   . TYR B 21 ? 0.16487 0.08907 0.09325 0.01223  -0.02638 0.01443  41  TYR B CG   
1562 C  CD1  . TYR B 21 ? 0.16017 0.09666 0.11635 0.01307  -0.03780 0.02428  41  TYR B CD1  
1563 C  CD2  . TYR B 21 ? 0.16715 0.09590 0.09584 0.01121  -0.02622 0.01617  41  TYR B CD2  
1564 C  CE1  . TYR B 21 ? 0.16036 0.10127 0.11769 0.00796  -0.03058 0.02361  41  TYR B CE1  
1565 C  CE2  . TYR B 21 ? 0.17692 0.09103 0.10745 0.01276  -0.03396 0.01473  41  TYR B CE2  
1566 C  CZ   . TYR B 21 ? 0.16868 0.09393 0.11450 -0.00211 -0.03425 0.02658  41  TYR B CZ   
1567 O  OH   . TYR B 21 ? 0.17949 0.11289 0.14123 -0.00102 -0.02839 0.03858  41  TYR B OH   
1568 H  H    . TYR B 21 ? 0.13715 0.13715 0.13715 -0.00000 -0.00000 -0.00000 41  TYR B H    
1569 H  HA   . TYR B 21 ? 0.13558 0.13558 0.13558 -0.00000 0.00000  0.00000  41  TYR B HA   
1570 H  HB2  . TYR B 21 ? 0.13990 0.13990 0.13990 -0.00000 -0.00000 -0.00000 41  TYR B HB2  
1571 H  HB3  . TYR B 21 ? 0.13990 0.13990 0.13990 -0.00000 -0.00000 -0.00000 41  TYR B HB3  
1572 H  HD1  . TYR B 21 ? 0.14940 0.14940 0.14940 0.00000  0.00000  0.00000  41  TYR B HD1  
1573 H  HD2  . TYR B 21 ? 0.14369 0.14369 0.14369 -0.00000 -0.00000 -0.00000 41  TYR B HD2  
1574 H  HE1  . TYR B 21 ? 0.15186 0.15186 0.15186 0.00000  0.00000  0.00000  41  TYR B HE1  
1575 H  HE2  . TYR B 21 ? 0.15029 0.15029 0.15029 -0.00000 0.00000  -0.00000 41  TYR B HE2  
1576 H  HH   . TYR B 21 ? 0.17358 0.17358 0.17358 -0.00000 -0.00000 0.00000  41  TYR B HH   
1577 N  N    . VAL B 22 ? 0.14606 0.08372 0.07796 0.02108  -0.01132 0.00962  42  VAL B N    
1578 C  CA   . VAL B 22 ? 0.13871 0.07231 0.08631 0.01128  -0.01580 0.00489  42  VAL B CA   
1579 C  C    . VAL B 22 ? 0.13480 0.07551 0.08761 0.01321  -0.00418 0.01468  42  VAL B C    
1580 O  O    . VAL B 22 ? 0.14006 0.07680 0.08429 0.01326  -0.00913 0.00912  42  VAL B O    
1581 C  CB   . VAL B 22 ? 0.15054 0.08281 0.09524 0.02442  -0.00673 0.00666  42  VAL B CB   
1582 C  CG1  . VAL B 22 ? 0.15202 0.09386 0.10083 0.02150  -0.01232 0.00104  42  VAL B CG1  
1583 C  CG2  . VAL B 22 ? 0.16856 0.09974 0.11643 0.04288  -0.01753 -0.00989 42  VAL B CG2  
1584 H  H    . VAL B 22 ? 0.12323 0.12323 0.12323 -0.00000 0.00000  -0.00000 42  VAL B H    
1585 H  HA   . VAL B 22 ? 0.11907 0.11907 0.11907 0.00000  -0.00000 0.00000  42  VAL B HA   
1586 H  HB   . VAL B 22 ? 0.13157 0.13157 0.13157 -0.00000 -0.00000 0.00000  42  VAL B HB   
1587 H  HG11 . VAL B 22 ? 0.13881 0.13881 0.13881 -0.00000 -0.00000 -0.00000 42  VAL B HG11 
1588 H  HG12 . VAL B 22 ? 0.13881 0.13881 0.13881 -0.00000 -0.00000 -0.00000 42  VAL B HG12 
1589 H  HG13 . VAL B 22 ? 0.13881 0.13881 0.13881 -0.00000 -0.00000 -0.00000 42  VAL B HG13 
1590 H  HG21 . VAL B 22 ? 0.15403 0.15403 0.15403 -0.00000 0.00000  0.00000  42  VAL B HG21 
1591 H  HG22 . VAL B 22 ? 0.15403 0.15403 0.15403 -0.00000 0.00000  0.00000  42  VAL B HG22 
1592 H  HG23 . VAL B 22 ? 0.15403 0.15403 0.15403 -0.00000 0.00000  0.00000  42  VAL B HG23 
1593 N  N    . THR B 23 ? 0.14259 0.07164 0.08708 0.01787  -0.00168 0.00591  43  THR B N    
1594 C  CA   . THR B 23 ? 0.14898 0.07394 0.09832 0.01213  -0.00394 0.00553  43  THR B CA   
1595 C  C    . THR B 23 ? 0.14365 0.06606 0.08972 0.01138  -0.00471 -0.00048 43  THR B C    
1596 O  O    . THR B 23 ? 0.14718 0.07959 0.08963 0.01019  -0.00379 0.00004  43  THR B O    
1597 C  CB   . THR B 23 ? 0.16320 0.09078 0.12073 -0.00064 0.01278  0.00516  43  THR B CB   
1598 O  OG1  . THR B 23 ? 0.16811 0.10571 0.13879 0.00048  0.01817  0.00455  43  THR B OG1  
1599 C  CG2  . THR B 23 ? 0.17673 0.09204 0.13710 0.00615  0.00669  0.00061  43  THR B CG2  
1600 H  H    . THR B 23 ? 0.12066 0.12066 0.12066 -0.00000 0.00000  0.00000  43  THR B H    
1601 H  HA   . THR B 23 ? 0.12863 0.12863 0.12863 0.00000  -0.00000 -0.00000 43  THR B HA   
1602 H  HB   . THR B 23 ? 0.15002 0.15002 0.15002 0.00000  -0.00000 0.00000  43  THR B HB   
1603 H  HG1  . THR B 23 ? 0.16518 0.16518 0.16518 0.00000  -0.00000 -0.00000 43  THR B HG1  
1604 H  HG21 . THR B 23 ? 0.16248 0.16248 0.16248 0.00000  -0.00000 0.00000  43  THR B HG21 
1605 H  HG22 . THR B 23 ? 0.16248 0.16248 0.16248 0.00000  -0.00000 0.00000  43  THR B HG22 
1606 H  HG23 . THR B 23 ? 0.16248 0.16248 0.16248 0.00000  -0.00000 0.00000  43  THR B HG23 
1607 N  N    . TYR B 24 ? 0.14492 0.06896 0.09267 0.02136  -0.00894 0.00394  44  TYR B N    
1608 C  CA   . TYR B 24 ? 0.13523 0.07056 0.09906 0.02687  -0.01051 0.00509  44  TYR B CA   
1609 C  C    . TYR B 24 ? 0.12780 0.07539 0.08920 0.01549  -0.00941 0.00322  44  TYR B C    
1610 O  O    . TYR B 24 ? 0.13340 0.08072 0.09130 0.02095  -0.00741 0.00041  44  TYR B O    
1611 C  CB   . TYR B 24 ? 0.14409 0.07815 0.11185 0.02750  -0.01318 0.01777  44  TYR B CB   
1612 C  CG   . TYR B 24 ? 0.14489 0.09167 0.13068 0.02756  -0.02153 0.02751  44  TYR B CG   
1613 C  CD1  . TYR B 24 ? 0.13947 0.13745 0.14086 0.04333  -0.01008 0.03941  44  TYR B CD1  
1614 C  CD2  . TYR B 24 ? 0.16545 0.09541 0.18473 0.01335  -0.02902 0.02934  44  TYR B CD2  
1615 C  CE1  . TYR B 24 ? 0.15654 0.17256 0.17263 0.03966  -0.00529 0.06611  44  TYR B CE1  
1616 C  CE2  . TYR B 24 ? 0.17193 0.13412 0.22784 0.00930  -0.02197 0.05405  44  TYR B CE2  
1617 C  CZ   . TYR B 24 ? 0.16847 0.17114 0.22464 0.01799  -0.00317 0.09469  44  TYR B CZ   
1618 O  OH   . TYR B 24 ? 0.18315 0.21589 0.28441 0.00979  0.01031  0.10269  44  TYR B OH   
1619 H  H    . TYR B 24 ? 0.12275 0.12275 0.12275 0.00000  0.00000  -0.00000 44  TYR B H    
1620 H  HA   . TYR B 24 ? 0.12207 0.12207 0.12207 0.00000  0.00000  -0.00000 44  TYR B HA   
1621 H  HB2  . TYR B 24 ? 0.13377 0.13377 0.13377 -0.00000 -0.00000 -0.00000 44  TYR B HB2  
1622 H  HB3  . TYR B 24 ? 0.13377 0.13377 0.13377 -0.00000 -0.00000 -0.00000 44  TYR B HB3  
1623 H  HD1  . TYR B 24 ? 0.16725 0.16725 0.16725 -0.00000 -0.00000 -0.00000 44  TYR B HD1  
1624 H  HD2  . TYR B 24 ? 0.17837 0.17837 0.17837 -0.00000 -0.00000 -0.00000 44  TYR B HD2  
1625 H  HE1  . TYR B 24 ? 0.20082 0.20082 0.20082 -0.00000 0.00000  0.00000  44  TYR B HE1  
1626 H  HE2  . TYR B 24 ? 0.21369 0.21369 0.21369 0.00000  0.00000  -0.00000 44  TYR B HE2  
1627 H  HH   . TYR B 24 ? 0.27351 0.27351 0.27351 -0.00000 -0.00000 0.00000  44  TYR B HH   
1628 N  N    . VAL B 25 ? 0.12936 0.07076 0.08275 0.01195  -0.00709 0.00546  45  VAL B N    
1629 C  CA   . VAL B 25 ? 0.12504 0.07013 0.08294 0.00811  -0.00506 0.00723  45  VAL B CA   
1630 C  C    . VAL B 25 ? 0.12128 0.05643 0.08510 0.01063  -0.00064 0.00296  45  VAL B C    
1631 O  O    . VAL B 25 ? 0.12262 0.07237 0.08553 0.00977  0.00200  0.00627  45  VAL B O    
1632 C  CB   . VAL B 25 ? 0.14251 0.07234 0.08424 0.00237  -0.00387 0.00528  45  VAL B CB   
1633 C  CG1  . VAL B 25 ? 0.14464 0.07495 0.09893 0.00458  -0.00963 0.00042  45  VAL B CG1  
1634 C  CG2  . VAL B 25 ? 0.17006 0.07908 0.09090 -0.00608 -0.01899 0.00455  45  VAL B CG2  
1635 H  H    . VAL B 25 ? 0.11328 0.11328 0.11328 0.00000  -0.00000 0.00000  45  VAL B H    
1636 H  HA   . VAL B 25 ? 0.11138 0.11138 0.11138 0.00000  0.00000  0.00000  45  VAL B HA   
1637 H  HB   . VAL B 25 ? 0.11977 0.11977 0.11977 0.00000  0.00000  0.00000  45  VAL B HB   
1638 H  HG11 . VAL B 25 ? 0.12754 0.12754 0.12754 -0.00000 -0.00000 0.00000  45  VAL B HG11 
1639 H  HG12 . VAL B 25 ? 0.12754 0.12754 0.12754 -0.00000 -0.00000 0.00000  45  VAL B HG12 
1640 H  HG13 . VAL B 25 ? 0.12754 0.12754 0.12754 -0.00000 -0.00000 0.00000  45  VAL B HG13 
1641 H  HG21 . VAL B 25 ? 0.13615 0.13615 0.13615 -0.00000 -0.00000 -0.00000 45  VAL B HG21 
1642 H  HG22 . VAL B 25 ? 0.13615 0.13615 0.13615 -0.00000 -0.00000 -0.00000 45  VAL B HG22 
1643 H  HG23 . VAL B 25 ? 0.13615 0.13615 0.13615 -0.00000 -0.00000 -0.00000 45  VAL B HG23 
1644 N  N    . PHE B 26 ? 0.12216 0.06912 0.08184 0.01283  -0.00493 0.00628  46  PHE B N    
1645 C  CA   . PHE B 26 ? 0.12115 0.07230 0.08800 0.01253  -0.00746 -0.00050 46  PHE B CA   
1646 C  C    . PHE B 26 ? 0.13282 0.08167 0.08910 0.01534  -0.00883 0.00612  46  PHE B C    
1647 O  O    . PHE B 26 ? 0.14425 0.09988 0.08733 0.02184  -0.00455 0.00153  46  PHE B O    
1648 C  CB   . PHE B 26 ? 0.12623 0.07270 0.10008 0.00882  -0.00620 -0.00025 46  PHE B CB   
1649 C  CG   . PHE B 26 ? 0.11741 0.06848 0.09295 0.00618  -0.01216 0.00217  46  PHE B CG   
1650 C  CD1  . PHE B 26 ? 0.11531 0.06975 0.10875 0.00419  -0.00071 0.00648  46  PHE B CD1  
1651 C  CD2  . PHE B 26 ? 0.13039 0.07305 0.09126 -0.00302 -0.00700 -0.00214 46  PHE B CD2  
1652 C  CE1  . PHE B 26 ? 0.11969 0.06635 0.10784 0.01086  -0.00668 -0.00109 46  PHE B CE1  
1653 C  CE2  . PHE B 26 ? 0.12470 0.08383 0.09668 -0.00477 -0.00135 0.00224  46  PHE B CE2  
1654 C  CZ   . PHE B 26 ? 0.11941 0.07883 0.09608 0.01468  -0.00699 0.00050  46  PHE B CZ   
1655 H  H    . PHE B 26 ? 0.10938 0.10938 0.10938 0.00000  0.00000  -0.00000 46  PHE B H    
1656 H  HA   . PHE B 26 ? 0.11271 0.11271 0.11271 0.00000  0.00000  0.00000  46  PHE B HA   
1657 H  HB2  . PHE B 26 ? 0.11973 0.11973 0.11973 0.00000  -0.00000 0.00000  46  PHE B HB2  
1658 H  HB3  . PHE B 26 ? 0.11973 0.11973 0.11973 0.00000  -0.00000 0.00000  46  PHE B HB3  
1659 H  HD1  . PHE B 26 ? 0.11766 0.11766 0.11766 -0.00000 0.00000  0.00000  46  PHE B HD1  
1660 H  HD2  . PHE B 26 ? 0.11801 0.11801 0.11801 0.00000  -0.00000 -0.00000 46  PHE B HD2  
1661 H  HE1  . PHE B 26 ? 0.11768 0.11768 0.11768 -0.00000 -0.00000 0.00000  46  PHE B HE1  
1662 H  HE2  . PHE B 26 ? 0.12222 0.12222 0.12222 0.00000  0.00000  0.00000  46  PHE B HE2  
1663 H  HZ   . PHE B 26 ? 0.11786 0.11786 0.11786 0.00000  0.00000  0.00000  46  PHE B HZ   
1664 N  N    . GLN B 27 ? 0.13676 0.07461 0.08648 0.01589  -0.00596 -0.00200 47  GLN B N    
1665 C  CA   . GLN B 27 ? 0.15424 0.08043 0.08182 0.02111  -0.01360 -0.00395 47  GLN B CA   
1666 C  C    . GLN B 27 ? 0.15999 0.09643 0.08878 0.02418  0.00367  -0.00176 47  GLN B C    
1667 O  O    . GLN B 27 ? 0.18429 0.11822 0.09587 0.02755  0.00743  -0.00806 47  GLN B O    
1668 C  CB   . GLN B 27 ? 0.15222 0.07735 0.08963 0.01563  -0.01431 -0.00613 47  GLN B CB   
1669 C  CG   . GLN B 27 ? 0.16247 0.07998 0.09634 0.01592  -0.01872 -0.00750 47  GLN B CG   
1670 C  CD   . GLN B 27 ? 0.17918 0.09686 0.13058 0.00464  -0.04726 0.00019  47  GLN B CD   
1671 O  OE1  . GLN B 27 ? 0.19583 0.10324 0.14378 0.01050  -0.05802 0.01166  47  GLN B OE1  
1672 N  NE2  . GLN B 27 ? 0.20554 0.10124 0.13958 0.02836  -0.04953 -0.01799 47  GLN B NE2  
1673 H  H    . GLN B 27 ? 0.11928 0.11928 0.11928 -0.00000 -0.00000 0.00000  47  GLN B H    
1674 H  HA   . GLN B 27 ? 0.12673 0.12673 0.12673 0.00000  -0.00000 -0.00000 47  GLN B HA   
1675 H  HB2  . GLN B 27 ? 0.12781 0.12781 0.12781 -0.00000 -0.00000 -0.00000 47  GLN B HB2  
1676 H  HB3  . GLN B 27 ? 0.12781 0.12781 0.12781 -0.00000 -0.00000 -0.00000 47  GLN B HB3  
1677 H  HG2  . GLN B 27 ? 0.13565 0.13565 0.13565 0.00000  0.00000  -0.00000 47  GLN B HG2  
1678 H  HG3  . GLN B 27 ? 0.13565 0.13565 0.13565 0.00000  0.00000  -0.00000 47  GLN B HG3  
1679 H  HE21 . GLN B 27 ? 0.17867 0.17867 0.17867 0.00000  0.00000  0.00000  47  GLN B HE21 
1680 H  HE22 . GLN B 27 ? 0.17867 0.17867 0.17867 0.00000  0.00000  0.00000  47  GLN B HE22 
1681 N  N    . LYS B 28 ? 0.15129 0.08643 0.10271 0.02298  0.00907  0.00257  48  LYS B N    
1682 C  CA   A LYS B 28 ? 0.15251 0.12463 0.12659 0.01104  0.01730  0.00172  48  LYS B CA   
1683 C  CA   B LYS B 28 ? 0.14115 0.10202 0.12008 0.01717  0.01677  0.00813  48  LYS B CA   
1684 C  C    . LYS B 28 ? 0.15123 0.10547 0.11266 0.00842  0.02241  -0.00234 48  LYS B C    
1685 O  O    . LYS B 28 ? 0.18431 0.12720 0.14224 0.02127  0.04964  0.00863  48  LYS B O    
1686 C  CB   A LYS B 28 ? 0.16643 0.18586 0.16857 -0.00626 0.00715  0.00741  48  LYS B CB   
1687 C  CB   B LYS B 28 ? 0.13639 0.12099 0.15016 0.00929  0.00362  0.02656  48  LYS B CB   
1688 C  CG   A LYS B 28 ? 0.18788 0.24607 0.21681 -0.02331 0.00827  -0.00021 48  LYS B CG   
1689 C  CG   B LYS B 28 ? 0.15150 0.15079 0.19749 -0.00176 0.00015  0.01851  48  LYS B CG   
1690 C  CD   A LYS B 28 ? 0.20479 0.29195 0.25211 -0.03463 0.00787  -0.00384 48  LYS B CD   
1691 C  CD   B LYS B 28 ? 0.17593 0.17552 0.23345 -0.01309 -0.01021 0.02176  48  LYS B CD   
1692 C  CE   A LYS B 28 ? 0.22525 0.32838 0.28020 -0.04121 0.00460  -0.00476 48  LYS B CE   
1693 C  CE   B LYS B 28 ? 0.18928 0.19493 0.26079 -0.01657 -0.00873 0.02129  48  LYS B CE   
1694 N  NZ   A LYS B 28 ? 0.24504 0.34920 0.29731 -0.04457 0.00303  -0.00580 48  LYS B NZ   
1695 N  NZ   B LYS B 28 ? 0.19650 0.19748 0.27400 -0.01460 -0.00175 0.02647  48  LYS B NZ   
1696 H  H    . LYS B 28 ? 0.13631 0.13631 0.13631 -0.00000 0.00000  0.00000  48  LYS B H    
1697 H  HA   . LYS B 28 ? 0.14543 0.14543 0.14543 -0.00000 -0.00000 0.00000  48  LYS B HA   
1698 H  HB2  A LYS B 28 ? 0.20848 0.20848 0.20848 0.00000  0.00000  -0.00000 48  LYS B HB2  
1699 H  HB2  B LYS B 28 ? 0.16315 0.16315 0.16315 0.00000  -0.00000 -0.00000 48  LYS B HB2  
1700 H  HB3  A LYS B 28 ? 0.20848 0.20848 0.20848 0.00000  0.00000  -0.00000 48  LYS B HB3  
1701 H  HB3  B LYS B 28 ? 0.16315 0.16315 0.16315 0.00000  -0.00000 -0.00000 48  LYS B HB3  
1702 H  HG2  A LYS B 28 ? 0.26044 0.26044 0.26044 -0.00000 0.00000  0.00000  48  LYS B HG2  
1703 H  HG2  B LYS B 28 ? 0.20005 0.20005 0.20005 0.00000  -0.00000 0.00000  48  LYS B HG2  
1704 H  HG3  A LYS B 28 ? 0.26044 0.26044 0.26044 -0.00000 0.00000  0.00000  48  LYS B HG3  
1705 H  HG3  B LYS B 28 ? 0.20005 0.20005 0.20005 0.00000  -0.00000 0.00000  48  LYS B HG3  
1706 H  HD2  A LYS B 28 ? 0.29967 0.29967 0.29967 -0.00000 0.00000  -0.00000 48  LYS B HD2  
1707 H  HD2  B LYS B 28 ? 0.23409 0.23409 0.23409 -0.00000 0.00000  -0.00000 48  LYS B HD2  
1708 H  HD3  A LYS B 28 ? 0.29967 0.29967 0.29967 -0.00000 0.00000  -0.00000 48  LYS B HD3  
1709 H  HD3  B LYS B 28 ? 0.23409 0.23409 0.23409 -0.00000 0.00000  -0.00000 48  LYS B HD3  
1710 H  HE2  A LYS B 28 ? 0.33366 0.33366 0.33366 -0.00000 -0.00000 -0.00000 48  LYS B HE2  
1711 H  HE2  B LYS B 28 ? 0.25813 0.25813 0.25813 -0.00000 -0.00000 0.00000  48  LYS B HE2  
1712 H  HE3  A LYS B 28 ? 0.33366 0.33366 0.33366 -0.00000 -0.00000 -0.00000 48  LYS B HE3  
1713 H  HE3  B LYS B 28 ? 0.25813 0.25813 0.25813 -0.00000 -0.00000 0.00000  48  LYS B HE3  
1714 H  HZ1  A LYS B 28 ? 0.35675 0.35675 0.35675 -0.00000 -0.00000 -0.00000 48  LYS B HZ1  
1715 H  HZ1  B LYS B 28 ? 0.26732 0.26732 0.26732 -0.00000 -0.00000 -0.00000 48  LYS B HZ1  
1716 H  HZ2  A LYS B 28 ? 0.35675 0.35675 0.35675 -0.00000 -0.00000 -0.00000 48  LYS B HZ2  
1717 H  HZ2  B LYS B 28 ? 0.26732 0.26732 0.26732 -0.00000 -0.00000 -0.00000 48  LYS B HZ2  
1718 H  HZ3  A LYS B 28 ? 0.35675 0.35675 0.35675 -0.00000 -0.00000 -0.00000 48  LYS B HZ3  
1719 H  HZ3  B LYS B 28 ? 0.26732 0.26732 0.26732 -0.00000 -0.00000 -0.00000 48  LYS B HZ3  
1720 N  N    . LEU B 29 ? 0.13653 0.08269 0.10128 0.00313  0.01493  -0.00063 49  LEU B N    
1721 C  CA   . LEU B 29 ? 0.13668 0.08608 0.09907 -0.00606 0.01390  0.00855  49  LEU B CA   
1722 C  C    . LEU B 29 ? 0.15688 0.09523 0.09857 -0.00746 0.01661  0.01068  49  LEU B C    
1723 O  O    . LEU B 29 ? 0.19364 0.12859 0.10756 -0.02579 0.00318  0.02123  49  LEU B O    
1724 C  CB   . LEU B 29 ? 0.14359 0.08152 0.10968 -0.00528 0.01260  0.00503  49  LEU B CB   
1725 C  CG   . LEU B 29 ? 0.16340 0.11307 0.13472 0.00130  0.00120  -0.01266 49  LEU B CG   
1726 C  CD1  . LEU B 29 ? 0.16604 0.09480 0.12302 0.00273  0.01404  -0.01290 49  LEU B CD1  
1727 C  CD2  . LEU B 29 ? 0.17662 0.13123 0.15876 -0.00183 -0.00896 -0.01273 49  LEU B CD2  
1728 H  H    . LEU B 29 ? 0.12833 0.12833 0.12833 -0.00000 0.00000  -0.00000 49  LEU B H    
1729 H  HA   . LEU B 29 ? 0.12887 0.12887 0.12887 -0.00000 0.00000  -0.00000 49  LEU B HA   
1730 H  HB2  . LEU B 29 ? 0.13405 0.13405 0.13405 0.00000  0.00000  0.00000  49  LEU B HB2  
1731 H  HB3  . LEU B 29 ? 0.13405 0.13405 0.13405 0.00000  0.00000  0.00000  49  LEU B HB3  
1732 H  HG   . LEU B 29 ? 0.16461 0.16461 0.16461 -0.00000 -0.00000 0.00000  49  LEU B HG   
1733 H  HD11 . LEU B 29 ? 0.15368 0.15368 0.15368 -0.00000 -0.00000 0.00000  49  LEU B HD11 
1734 H  HD12 . LEU B 29 ? 0.15368 0.15368 0.15368 -0.00000 -0.00000 0.00000  49  LEU B HD12 
1735 H  HD13 . LEU B 29 ? 0.15368 0.15368 0.15368 -0.00000 -0.00000 0.00000  49  LEU B HD13 
1736 H  HD21 . LEU B 29 ? 0.18678 0.18678 0.18678 0.00000  0.00000  0.00000  49  LEU B HD21 
1737 H  HD22 . LEU B 29 ? 0.18678 0.18678 0.18678 0.00000  0.00000  0.00000  49  LEU B HD22 
1738 H  HD23 . LEU B 29 ? 0.18678 0.18678 0.18678 0.00000  0.00000  0.00000  49  LEU B HD23 
1739 N  N    . PHE B 30 ? 0.14441 0.08817 0.09485 -0.00426 0.00429  0.00628  50  PHE B N    
1740 C  CA   . PHE B 30 ? 0.15310 0.10075 0.09320 0.00544  0.00057  0.00534  50  PHE B CA   
1741 C  C    . PHE B 30 ? 0.16180 0.11563 0.08434 0.01021  -0.00172 -0.00947 50  PHE B C    
1742 O  O    . PHE B 30 ? 0.18722 0.13838 0.09962 0.02360  -0.02150 -0.02235 50  PHE B O    
1743 C  CB   . PHE B 30 ? 0.15144 0.09955 0.09566 0.00425  -0.00848 0.00079  50  PHE B CB   
1744 C  CG   . PHE B 30 ? 0.17614 0.09549 0.10368 0.02252  -0.00317 0.00510  50  PHE B CG   
1745 C  CD1  . PHE B 30 ? 0.25027 0.10274 0.14794 0.03182  0.02308  0.01792  50  PHE B CD1  
1746 C  CD2  . PHE B 30 ? 0.16527 0.10153 0.10664 0.01921  -0.00942 -0.00373 50  PHE B CD2  
1747 C  CE1  . PHE B 30 ? 0.28322 0.10854 0.17911 0.03357  0.02979  0.00803  50  PHE B CE1  
1748 C  CE2  . PHE B 30 ? 0.20010 0.11104 0.13018 0.02602  -0.00974 -0.01643 50  PHE B CE2  
1749 C  CZ   . PHE B 30 ? 0.26072 0.11452 0.17019 0.03469  0.01861  -0.01593 50  PHE B CZ   
1750 H  H    . PHE B 30 ? 0.13110 0.13110 0.13110 -0.00000 0.00000  0.00000  50  PHE B H    
1751 H  HA   . PHE B 30 ? 0.13895 0.13895 0.13895 0.00000  -0.00000 0.00000  50  PHE B HA   
1752 H  HB2  . PHE B 30 ? 0.13880 0.13880 0.13880 0.00000  -0.00000 0.00000  50  PHE B HB2  
1753 H  HB3  . PHE B 30 ? 0.13880 0.13880 0.13880 0.00000  -0.00000 0.00000  50  PHE B HB3  
1754 H  HD1  . PHE B 30 ? 0.20051 0.20051 0.20051 -0.00000 -0.00000 0.00000  50  PHE B HD1  
1755 H  HD2  . PHE B 30 ? 0.14951 0.14951 0.14951 0.00000  0.00000  0.00000  50  PHE B HD2  
1756 H  HE1  . PHE B 30 ? 0.22848 0.22848 0.22848 0.00000  -0.00000 -0.00000 50  PHE B HE1  
1757 H  HE2  . PHE B 30 ? 0.17666 0.17666 0.17666 0.00000  -0.00000 -0.00000 50  PHE B HE2  
1758 H  HZ   . PHE B 30 ? 0.21830 0.21830 0.21830 0.00000  0.00000  0.00000  50  PHE B HZ   
1759 N  N    . GLY B 31 ? 0.14646 0.11383 0.09839 0.01309  -0.00576 -0.01448 51  GLY B N    
1760 C  CA   . GLY B 31 ? 0.15122 0.11804 0.10441 0.01484  -0.00042 -0.02597 51  GLY B CA   
1761 C  C    . GLY B 31 ? 0.14212 0.10441 0.10392 0.02119  -0.00902 -0.03281 51  GLY B C    
1762 O  O    . GLY B 31 ? 0.14743 0.12930 0.12233 0.02405  -0.01547 -0.04424 51  GLY B O    
1763 H  H    . GLY B 31 ? 0.14360 0.14360 0.14360 -0.00000 -0.00000 0.00000  51  GLY B H    
1764 H  HA2  . GLY B 31 ? 0.14960 0.14960 0.14960 -0.00000 0.00000  0.00000  51  GLY B HA2  
1765 H  HA3  . GLY B 31 ? 0.14960 0.14960 0.14960 -0.00000 0.00000  0.00000  51  GLY B HA3  
1766 N  N    . TYR B 32 ? 0.14618 0.08812 0.09658 0.01721  -0.01745 -0.02027 52  TYR B N    
1767 C  CA   . TYR B 32 ? 0.14378 0.08267 0.09612 0.02050  -0.02150 -0.01830 52  TYR B CA   
1768 C  C    . TYR B 32 ? 0.16368 0.07822 0.09560 0.02322  -0.02159 -0.01558 52  TYR B C    
1769 O  O    . TYR B 32 ? 0.17455 0.10136 0.11295 0.03385  -0.03266 -0.01303 52  TYR B O    
1770 C  CB   . TYR B 32 ? 0.14210 0.08987 0.10137 0.00880  -0.01462 -0.01669 52  TYR B CB   
1771 C  CG   . TYR B 32 ? 0.13390 0.08746 0.09519 0.01510  -0.02067 -0.02539 52  TYR B CG   
1772 C  CD1  . TYR B 32 ? 0.16915 0.10886 0.10860 0.03289  -0.02913 -0.03265 52  TYR B CD1  
1773 C  CD2  . TYR B 32 ? 0.14036 0.08093 0.09207 -0.00047 -0.00693 -0.01910 52  TYR B CD2  
1774 C  CE1  . TYR B 32 ? 0.17254 0.11182 0.10169 0.04592  -0.03456 -0.02807 52  TYR B CE1  
1775 C  CE2  . TYR B 32 ? 0.13791 0.07969 0.09634 0.01002  -0.00394 -0.02067 52  TYR B CE2  
1776 C  CZ   . TYR B 32 ? 0.14973 0.09330 0.10446 0.03252  -0.02083 -0.02531 52  TYR B CZ   
1777 O  OH   . TYR B 32 ? 0.18637 0.10776 0.11704 0.04855  -0.02602 -0.02794 52  TYR B OH   
1778 H  H    . TYR B 32 ? 0.13248 0.13248 0.13248 -0.00000 0.00000  0.00000  52  TYR B H    
1779 H  HA   . TYR B 32 ? 0.12916 0.12916 0.12916 -0.00000 0.00000  -0.00000 52  TYR B HA   
1780 H  HB2  . TYR B 32 ? 0.13347 0.13347 0.13347 0.00000  0.00000  0.00000  52  TYR B HB2  
1781 H  HB3  . TYR B 32 ? 0.13347 0.13347 0.13347 0.00000  0.00000  0.00000  52  TYR B HB3  
1782 H  HD1  . TYR B 32 ? 0.15478 0.15478 0.15478 0.00000  0.00000  0.00000  52  TYR B HD1  
1783 H  HD2  . TYR B 32 ? 0.12548 0.12548 0.12548 0.00000  0.00000  0.00000  52  TYR B HD2  
1784 H  HE1  . TYR B 32 ? 0.15455 0.15455 0.15455 -0.00000 -0.00000 -0.00000 52  TYR B HE1  
1785 H  HE2  . TYR B 32 ? 0.12571 0.12571 0.12571 -0.00000 0.00000  0.00000  52  TYR B HE2  
1786 H  HH   . TYR B 32 ? 0.16460 0.16460 0.16460 0.00000  -0.00000 0.00000  52  TYR B HH   
1787 N  N    . SER B 33 ? 0.18446 0.07758 0.10508 0.01374  -0.01944 -0.02067 53  SER B N    
1788 C  CA   . SER B 33 ? 0.20839 0.07566 0.11527 0.01768  -0.00913 -0.01789 53  SER B CA   
1789 C  C    . SER B 33 ? 0.19242 0.07828 0.11222 0.01246  -0.01377 -0.01068 53  SER B C    
1790 O  O    . SER B 33 ? 0.18062 0.07577 0.11683 0.01245  -0.01250 -0.01061 53  SER B O    
1791 C  CB   . SER B 33 ? 0.22879 0.09019 0.11610 0.01141  -0.02430 -0.01706 53  SER B CB   
1792 O  OG   . SER B 33 ? 0.24014 0.09196 0.13294 0.00956  -0.01387 -0.02099 53  SER B OG   
1793 H  H    . SER B 33 ? 0.14698 0.14698 0.14698 0.00000  -0.00000 -0.00000 53  SER B H    
1794 H  HA   . SER B 33 ? 0.15986 0.15986 0.15986 0.00000  0.00000  0.00000  53  SER B HA   
1795 H  HB2  . SER B 33 ? 0.17416 0.17416 0.17416 -0.00000 -0.00000 -0.00000 53  SER B HB2  
1796 H  HB3  . SER B 33 ? 0.17416 0.17416 0.17416 -0.00000 -0.00000 -0.00000 53  SER B HB3  
1797 H  HG   . SER B 33 ? 0.18615 0.18615 0.18615 0.00000  0.00000  0.00000  53  SER B HG   
1798 N  N    . GLU B 34 ? 0.21588 0.08510 0.11731 0.02190  -0.02493 -0.00396 54  GLU B N    
1799 C  CA   . GLU B 34 ? 0.23967 0.09505 0.11568 0.01619  -0.03602 0.00182  54  GLU B CA   
1800 C  C    . GLU B 34 ? 0.24523 0.07975 0.11923 0.00164  -0.01978 0.00054  54  GLU B C    
1801 O  O    . GLU B 34 ? 0.25809 0.08336 0.11510 -0.00500 -0.00334 -0.00603 54  GLU B O    
1802 C  CB   . GLU B 34 ? 0.27504 0.14351 0.12373 0.02373  -0.04860 0.02223  54  GLU B CB   
1803 C  CG   . GLU B 34 ? 0.31994 0.19289 0.15612 0.01825  -0.03395 0.03502  54  GLU B CG   
1804 C  CD   . GLU B 34 ? 0.34592 0.23412 0.18863 0.01444  -0.01540 0.03797  54  GLU B CD   
1805 O  OE1  . GLU B 34 ? 0.34532 0.22858 0.19936 0.02139  -0.00869 0.05480  54  GLU B OE1  
1806 O  OE2  . GLU B 34 ? 0.36412 0.26417 0.19478 0.00150  0.00220  0.03363  54  GLU B OE2  
1807 H  H    . GLU B 34 ? 0.16745 0.16745 0.16745 -0.00000 0.00000  0.00000  54  GLU B H    
1808 H  HA   . GLU B 34 ? 0.18029 0.18029 0.18029 -0.00000 -0.00000 0.00000  54  GLU B HA   
1809 H  HB2  . GLU B 34 ? 0.21704 0.21704 0.21704 0.00000  0.00000  0.00000  54  GLU B HB2  
1810 H  HB3  . GLU B 34 ? 0.21704 0.21704 0.21704 0.00000  0.00000  0.00000  54  GLU B HB3  
1811 H  HG2  . GLU B 34 ? 0.26771 0.26771 0.26771 -0.00000 -0.00000 -0.00000 54  GLU B HG2  
1812 H  HG3  . GLU B 34 ? 0.26771 0.26771 0.26771 -0.00000 -0.00000 -0.00000 54  GLU B HG3  
1813 N  N    . PRO B 35 ? 0.24666 0.07182 0.13843 -0.00206 -0.01167 -0.00358 55  PRO B N    
1814 C  CA   . PRO B 35 ? 0.24941 0.07304 0.15885 -0.01254 -0.01138 -0.01172 55  PRO B CA   
1815 C  C    . PRO B 35 ? 0.23389 0.07107 0.13845 -0.01709 -0.00663 -0.02227 55  PRO B C    
1816 O  O    . PRO B 35 ? 0.23704 0.07072 0.14436 -0.02180 0.00979  -0.01404 55  PRO B O    
1817 C  CB   . PRO B 35 ? 0.26479 0.07966 0.17884 -0.00736 -0.00932 -0.01887 55  PRO B CB   
1818 C  CG   . PRO B 35 ? 0.26669 0.08199 0.17969 0.00077  -0.01428 -0.01581 55  PRO B CG   
1819 C  CD   . PRO B 35 ? 0.25648 0.07560 0.15634 -0.00143 -0.01412 -0.01836 55  PRO B CD   
1820 H  HA   . PRO B 35 ? 0.19265 0.19265 0.19265 0.00000  0.00000  0.00000  55  PRO B HA   
1821 H  HB2  . PRO B 35 ? 0.20945 0.20945 0.20945 0.00000  0.00000  0.00000  55  PRO B HB2  
1822 H  HB3  . PRO B 35 ? 0.20945 0.20945 0.20945 0.00000  0.00000  0.00000  55  PRO B HB3  
1823 H  HG2  . PRO B 35 ? 0.21148 0.21148 0.21148 0.00000  0.00000  0.00000  55  PRO B HG2  
1824 H  HG3  . PRO B 35 ? 0.21148 0.21148 0.21148 0.00000  0.00000  0.00000  55  PRO B HG3  
1825 H  HD2  . PRO B 35 ? 0.19550 0.19550 0.19550 0.00000  0.00000  0.00000  55  PRO B HD2  
1826 H  HD3  . PRO B 35 ? 0.19550 0.19550 0.19550 0.00000  0.00000  0.00000  55  PRO B HD3  
1827 N  N    . HIS B 36 ? 0.21564 0.07340 0.12511 -0.00709 -0.00010 -0.02092 56  HIS B N    
1828 C  CA   . HIS B 36 ? 0.19533 0.07435 0.12035 -0.01068 -0.00333 -0.01675 56  HIS B CA   
1829 C  C    . HIS B 36 ? 0.18952 0.06475 0.09615 -0.01237 0.00508  -0.00968 56  HIS B C    
1830 O  O    . HIS B 36 ? 0.18874 0.07223 0.10952 -0.00253 -0.00242 -0.01320 56  HIS B O    
1831 C  CB   . HIS B 36 ? 0.18663 0.08933 0.11563 -0.00312 -0.00594 -0.02228 56  HIS B CB   
1832 C  CG   . HIS B 36 ? 0.16321 0.10673 0.11288 -0.00659 -0.01216 -0.02109 56  HIS B CG   
1833 N  ND1  . HIS B 36 ? 0.16341 0.14861 0.13087 -0.01182 -0.00492 -0.03266 56  HIS B ND1  
1834 C  CD2  . HIS B 36 ? 0.16109 0.10924 0.12073 0.00923  -0.02192 -0.01239 56  HIS B CD2  
1835 C  CE1  . HIS B 36 ? 0.16157 0.15280 0.13141 0.01020  -0.00764 -0.03423 56  HIS B CE1  
1836 N  NE2  . HIS B 36 ? 0.16447 0.13069 0.12614 0.01594  -0.01053 -0.01479 56  HIS B NE2  
1837 H  H    . HIS B 36 ? 0.16579 0.16579 0.16579 0.00000  -0.00000 0.00000  56  HIS B H    
1838 H  HA   . HIS B 36 ? 0.15614 0.15614 0.15614 -0.00000 -0.00000 -0.00000 56  HIS B HA   
1839 H  HB2  . HIS B 36 ? 0.15677 0.15677 0.15677 0.00000  -0.00000 0.00000  56  HIS B HB2  
1840 H  HB3  . HIS B 36 ? 0.15677 0.15677 0.15677 0.00000  -0.00000 0.00000  56  HIS B HB3  
1841 H  HD2  . HIS B 36 ? 0.15655 0.15655 0.15655 -0.00000 -0.00000 0.00000  56  HIS B HD2  
1842 H  HE1  . HIS B 36 ? 0.17844 0.17844 0.17844 0.00000  -0.00000 -0.00000 56  HIS B HE1  
1843 H  HE2  . HIS B 36 ? 0.16865 0.16865 0.16865 0.00000  0.00000  0.00000  56  HIS B HE2  
1844 N  N    . ALA B 37 ? 0.18649 0.06685 0.10307 -0.00708 0.00446  -0.01487 57  ALA B N    
1845 C  CA   . ALA B 37 ? 0.18593 0.06873 0.09790 -0.01408 0.00244  -0.01031 57  ALA B CA   
1846 C  C    . ALA B 37 ? 0.18299 0.06783 0.10635 -0.01176 0.00652  -0.00753 57  ALA B C    
1847 O  O    . ALA B 37 ? 0.18504 0.06283 0.10420 -0.01062 0.00653  -0.01564 57  ALA B O    
1848 C  CB   . ALA B 37 ? 0.17435 0.07842 0.09477 -0.00507 -0.00003 -0.01008 57  ALA B CB   
1849 H  H    . ALA B 37 ? 0.14270 0.14270 0.14270 -0.00000 -0.00000 0.00000  57  ALA B H    
1850 H  HA   . ALA B 37 ? 0.14116 0.14116 0.14116 -0.00000 -0.00000 -0.00000 57  ALA B HA   
1851 H  HB1  . ALA B 37 ? 0.13915 0.13915 0.13915 -0.00000 -0.00000 0.00000  57  ALA B HB1  
1852 H  HB2  . ALA B 37 ? 0.13915 0.13915 0.13915 -0.00000 -0.00000 0.00000  57  ALA B HB2  
1853 H  HB3  . ALA B 37 ? 0.13915 0.13915 0.13915 -0.00000 -0.00000 0.00000  57  ALA B HB3  
1854 N  N    . THR B 38 ? 0.19550 0.06898 0.11257 -0.00813 0.01402  -0.00891 58  THR B N    
1855 C  CA   . THR B 38 ? 0.21064 0.07356 0.11902 0.00103  0.02861  0.00252  58  THR B CA   
1856 C  C    . THR B 38 ? 0.20249 0.06381 0.12642 -0.02140 0.02399  0.00242  58  THR B C    
1857 O  O    . THR B 38 ? 0.20487 0.07679 0.12896 -0.02348 0.02695  0.00237  58  THR B O    
1858 C  CB   . THR B 38 ? 0.25073 0.08482 0.14736 0.00664  0.04076  0.01566  58  THR B CB   
1859 O  OG1  . THR B 38 ? 0.27111 0.10664 0.19062 0.02853  0.04726  0.04246  58  THR B OG1  
1860 C  CG2  . THR B 38 ? 0.26991 0.08842 0.16118 0.00590  0.04843  0.02250  58  THR B CG2  
1861 H  H    . THR B 38 ? 0.15095 0.15095 0.15095 0.00000  0.00000  -0.00000 58  THR B H    
1862 H  HA   . THR B 38 ? 0.16142 0.16142 0.16142 0.00000  -0.00000 0.00000  58  THR B HA   
1863 H  HB   . THR B 38 ? 0.19330 0.19330 0.19330 0.00000  0.00000  0.00000  58  THR B HB   
1864 H  HG1  . THR B 38 ? 0.22748 0.22748 0.22748 0.00000  0.00000  0.00000  58  THR B HG1  
1865 H  HG21 . THR B 38 ? 0.20793 0.20793 0.20793 0.00000  0.00000  -0.00000 58  THR B HG21 
1866 H  HG22 . THR B 38 ? 0.20793 0.20793 0.20793 0.00000  0.00000  -0.00000 58  THR B HG22 
1867 H  HG23 . THR B 38 ? 0.20793 0.20793 0.20793 0.00000  0.00000  -0.00000 58  THR B HG23 
1868 N  N    . LYS B 39 ? 0.19867 0.07228 0.13844 -0.02582 0.02052  -0.00464 59  LYS B N    
1869 C  CA   A LYS B 39 ? 0.20745 0.08453 0.15461 -0.04365 0.01125  -0.00861 59  LYS B CA   
1870 C  CA   B LYS B 39 ? 0.19662 0.06929 0.14397 -0.02835 0.00606  -0.01562 59  LYS B CA   
1871 C  C    . LYS B 39 ? 0.18203 0.07980 0.13844 -0.02872 0.01134  -0.00786 59  LYS B C    
1872 O  O    . LYS B 39 ? 0.17498 0.08428 0.15502 -0.03214 0.01668  -0.00597 59  LYS B O    
1873 C  CB   A LYS B 39 ? 0.23028 0.12476 0.19296 -0.05493 -0.00754 -0.01210 59  LYS B CB   
1874 C  CB   B LYS B 39 ? 0.20178 0.07016 0.15784 -0.01575 -0.01611 -0.03242 59  LYS B CB   
1875 C  CG   A LYS B 39 ? 0.25299 0.17166 0.22602 -0.05230 -0.01711 -0.00837 59  LYS B CG   
1876 C  CG   B LYS B 39 ? 0.21034 0.08105 0.17103 0.00759  -0.02949 -0.04160 59  LYS B CG   
1877 C  CD   A LYS B 39 ? 0.26602 0.22274 0.25370 -0.05521 -0.02412 0.00495  59  LYS B CD   
1878 C  CD   B LYS B 39 ? 0.21904 0.10887 0.19039 0.01911  -0.04136 -0.03230 59  LYS B CD   
1879 C  CE   A LYS B 39 ? 0.27358 0.25877 0.27037 -0.05625 -0.02401 0.02427  59  LYS B CE   
1880 C  CE   B LYS B 39 ? 0.22856 0.13107 0.20633 0.02840  -0.04290 -0.02529 59  LYS B CE   
1881 N  NZ   A LYS B 39 ? 0.27307 0.27824 0.28057 -0.05446 -0.02071 0.03482  59  LYS B NZ   
1882 N  NZ   B LYS B 39 ? 0.22898 0.14150 0.21078 0.03237  -0.04294 -0.02027 59  LYS B NZ   
1883 H  H    . LYS B 39 ? 0.16389 0.16389 0.16389 0.00000  0.00000  0.00000  59  LYS B H    
1884 H  HA   . LYS B 39 ? 0.16408 0.16408 0.16408 0.00000  -0.00000 0.00000  59  LYS B HA   
1885 H  HB2  A LYS B 39 ? 0.21933 0.21933 0.21933 -0.00000 -0.00000 -0.00000 59  LYS B HB2  
1886 H  HB2  B LYS B 39 ? 0.17205 0.17205 0.17205 0.00000  -0.00000 -0.00000 59  LYS B HB2  
1887 H  HB3  A LYS B 39 ? 0.21933 0.21933 0.21933 -0.00000 -0.00000 -0.00000 59  LYS B HB3  
1888 H  HB3  B LYS B 39 ? 0.17205 0.17205 0.17205 0.00000  -0.00000 -0.00000 59  LYS B HB3  
1889 H  HG2  A LYS B 39 ? 0.26039 0.26039 0.26039 -0.00000 0.00000  -0.00000 59  LYS B HG2  
1890 H  HG2  B LYS B 39 ? 0.18510 0.18510 0.18510 -0.00000 0.00000  0.00000  59  LYS B HG2  
1891 H  HG3  A LYS B 39 ? 0.26039 0.26039 0.26039 -0.00000 0.00000  -0.00000 59  LYS B HG3  
1892 H  HG3  B LYS B 39 ? 0.18510 0.18510 0.18510 -0.00000 0.00000  0.00000  59  LYS B HG3  
1893 H  HD2  A LYS B 39 ? 0.29711 0.29711 0.29711 0.00000  -0.00000 -0.00000 59  LYS B HD2  
1894 H  HD2  B LYS B 39 ? 0.20745 0.20745 0.20745 -0.00000 -0.00000 0.00000  59  LYS B HD2  
1895 H  HD3  A LYS B 39 ? 0.29711 0.29711 0.29711 0.00000  -0.00000 -0.00000 59  LYS B HD3  
1896 H  HD3  B LYS B 39 ? 0.20745 0.20745 0.20745 -0.00000 -0.00000 0.00000  59  LYS B HD3  
1897 H  HE2  A LYS B 39 ? 0.32122 0.32122 0.32122 0.00000  0.00000  0.00000  59  LYS B HE2  
1898 H  HE2  B LYS B 39 ? 0.22652 0.22652 0.22652 0.00000  0.00000  0.00000  59  LYS B HE2  
1899 H  HE3  A LYS B 39 ? 0.32122 0.32122 0.32122 0.00000  0.00000  0.00000  59  LYS B HE3  
1900 H  HE3  B LYS B 39 ? 0.22652 0.22652 0.22652 0.00000  0.00000  0.00000  59  LYS B HE3  
1901 H  HZ1  A LYS B 39 ? 0.33288 0.33288 0.33288 0.00000  -0.00000 0.00000  59  LYS B HZ1  
1902 H  HZ1  B LYS B 39 ? 0.23264 0.23264 0.23264 -0.00000 -0.00000 0.00000  59  LYS B HZ1  
1903 H  HZ2  A LYS B 39 ? 0.33288 0.33288 0.33288 0.00000  -0.00000 0.00000  59  LYS B HZ2  
1904 H  HZ2  B LYS B 39 ? 0.23264 0.23264 0.23264 -0.00000 -0.00000 0.00000  59  LYS B HZ2  
1905 H  HZ3  A LYS B 39 ? 0.33288 0.33288 0.33288 0.00000  -0.00000 0.00000  59  LYS B HZ3  
1906 H  HZ3  B LYS B 39 ? 0.23264 0.23264 0.23264 -0.00000 -0.00000 0.00000  59  LYS B HZ3  
1907 N  N    . LEU B 40 ? 0.16854 0.06863 0.11973 -0.02063 -0.00136 -0.00368 60  LEU B N    
1908 C  CA   . LEU B 40 ? 0.14490 0.06613 0.11685 -0.01429 0.00257  -0.00462 60  LEU B CA   
1909 C  C    . LEU B 40 ? 0.14178 0.06615 0.11091 -0.01504 0.01063  -0.00162 60  LEU B C    
1910 O  O    . LEU B 40 ? 0.14621 0.07221 0.11224 -0.00620 0.01051  -0.00730 60  LEU B O    
1911 C  CB   . LEU B 40 ? 0.14274 0.07243 0.10509 -0.00766 -0.00333 -0.00462 60  LEU B CB   
1912 C  CG   . LEU B 40 ? 0.16509 0.08331 0.11457 -0.00547 -0.00495 -0.00771 60  LEU B CG   
1913 C  CD1  . LEU B 40 ? 0.17759 0.09091 0.10879 -0.00652 0.00876  -0.00335 60  LEU B CD1  
1914 C  CD2  . LEU B 40 ? 0.18269 0.11338 0.12666 0.00464  -0.01907 0.00317  60  LEU B CD2  
1915 H  H    . LEU B 40 ? 0.14289 0.14289 0.14289 -0.00000 -0.00000 0.00000  60  LEU B H    
1916 H  HA   . LEU B 40 ? 0.13128 0.13128 0.13128 0.00000  0.00000  -0.00000 60  LEU B HA   
1917 H  HB2  . LEU B 40 ? 0.12824 0.12824 0.12824 -0.00000 0.00000  0.00000  60  LEU B HB2  
1918 H  HB3  . LEU B 40 ? 0.12824 0.12824 0.12824 -0.00000 0.00000  0.00000  60  LEU B HB3  
1919 H  HG   . LEU B 40 ? 0.14532 0.14532 0.14532 -0.00000 -0.00000 -0.00000 60  LEU B HG   
1920 H  HD11 . LEU B 40 ? 0.15105 0.15105 0.15105 -0.00000 -0.00000 0.00000  60  LEU B HD11 
1921 H  HD12 . LEU B 40 ? 0.15105 0.15105 0.15105 -0.00000 -0.00000 0.00000  60  LEU B HD12 
1922 H  HD13 . LEU B 40 ? 0.15105 0.15105 0.15105 -0.00000 -0.00000 0.00000  60  LEU B HD13 
1923 H  HD21 . LEU B 40 ? 0.16923 0.16923 0.16923 0.00000  -0.00000 0.00000  60  LEU B HD21 
1924 H  HD22 . LEU B 40 ? 0.16923 0.16923 0.16923 0.00000  -0.00000 0.00000  60  LEU B HD22 
1925 H  HD23 . LEU B 40 ? 0.16923 0.16923 0.16923 0.00000  -0.00000 0.00000  60  LEU B HD23 
1926 N  N    . MET B 41 ? 0.14929 0.06591 0.10592 -0.00513 0.00684  -0.00215 61  MET B N    
1927 C  CA   . MET B 41 ? 0.15547 0.08162 0.10280 -0.00481 0.00801  -0.00769 61  MET B CA   
1928 C  C    . MET B 41 ? 0.16034 0.08313 0.10632 -0.00448 0.01353  -0.00426 61  MET B C    
1929 O  O    . MET B 41 ? 0.15925 0.08989 0.10786 -0.00511 0.01829  -0.00905 61  MET B O    
1930 C  CB   . MET B 41 ? 0.15616 0.09415 0.10553 0.00573  0.00880  -0.00830 61  MET B CB   
1931 C  CG   . MET B 41 ? 0.16982 0.11731 0.11014 0.01589  0.00724  -0.00418 61  MET B CG   
1932 S  SD   . MET B 41 ? 0.19229 0.14628 0.11261 0.02179  0.01524  0.01773  61  MET B SD   
1933 C  CE   . MET B 41 ? 0.22309 0.15134 0.14967 0.02067  0.01748  0.03042  61  MET B CE   
1934 H  H    . MET B 41 ? 0.12858 0.12858 0.12858 -0.00000 -0.00000 -0.00000 61  MET B H    
1935 H  HA   . MET B 41 ? 0.13609 0.13609 0.13609 -0.00000 -0.00000 -0.00000 61  MET B HA   
1936 H  HB2  . MET B 41 ? 0.14246 0.14246 0.14246 0.00000  0.00000  0.00000  61  MET B HB2  
1937 H  HB3  . MET B 41 ? 0.14246 0.14246 0.14246 0.00000  0.00000  0.00000  61  MET B HB3  
1938 H  HG2  . MET B 41 ? 0.15904 0.15904 0.15904 0.00000  -0.00000 -0.00000 61  MET B HG2  
1939 H  HG3  . MET B 41 ? 0.15904 0.15904 0.15904 0.00000  -0.00000 -0.00000 61  MET B HG3  
1940 H  HE1  . MET B 41 ? 0.20977 0.20977 0.20977 0.00000  0.00000  0.00000  61  MET B HE1  
1941 H  HE2  . MET B 41 ? 0.20977 0.20977 0.20977 0.00000  0.00000  0.00000  61  MET B HE2  
1942 H  HE3  . MET B 41 ? 0.20977 0.20977 0.20977 0.00000  0.00000  0.00000  61  MET B HE3  
1943 N  N    . LEU B 42 ? 0.17186 0.08101 0.11446 -0.01600 0.02338  0.00302  62  LEU B N    
1944 C  CA   . LEU B 42 ? 0.18861 0.09257 0.13565 -0.02147 0.03232  0.00410  62  LEU B CA   
1945 C  C    . LEU B 42 ? 0.17139 0.09519 0.14681 -0.03409 0.03200  0.00036  62  LEU B C    
1946 O  O    . LEU B 42 ? 0.17185 0.11769 0.15181 -0.02836 0.04867  -0.00445 62  LEU B O    
1947 C  CB   . LEU B 42 ? 0.23558 0.09718 0.16641 -0.02787 0.04936  0.01873  62  LEU B CB   
1948 C  CG   . LEU B 42 ? 0.28041 0.11626 0.19099 -0.00757 0.06779  0.03018  62  LEU B CG   
1949 C  CD1  . LEU B 42 ? 0.30705 0.11140 0.21898 -0.01242 0.06083  0.01608  62  LEU B CD1  
1950 C  CD2  . LEU B 42 ? 0.29989 0.14012 0.19195 0.00209  0.05933  0.04103  62  LEU B CD2  
1951 H  H    . LEU B 42 ? 0.14707 0.14707 0.14707 -0.00000 -0.00000 -0.00000 62  LEU B H    
1952 H  HA   . LEU B 42 ? 0.16686 0.16686 0.16686 0.00000  -0.00000 0.00000  62  LEU B HA   
1953 H  HB2  . LEU B 42 ? 0.19980 0.19980 0.19980 0.00000  0.00000  0.00000  62  LEU B HB2  
1954 H  HB3  . LEU B 42 ? 0.19980 0.19980 0.19980 0.00000  0.00000  0.00000  62  LEU B HB3  
1955 H  HG   . LEU B 42 ? 0.23520 0.23520 0.23520 -0.00000 0.00000  0.00000  62  LEU B HG   
1956 H  HD11 . LEU B 42 ? 0.25510 0.25510 0.25510 -0.00000 -0.00000 0.00000  62  LEU B HD11 
1957 H  HD12 . LEU B 42 ? 0.25510 0.25510 0.25510 -0.00000 -0.00000 0.00000  62  LEU B HD12 
1958 H  HD13 . LEU B 42 ? 0.25510 0.25510 0.25510 -0.00000 -0.00000 0.00000  62  LEU B HD13 
1959 H  HD21 . LEU B 42 ? 0.25291 0.25291 0.25291 0.00000  0.00000  -0.00000 62  LEU B HD21 
1960 H  HD22 . LEU B 42 ? 0.25291 0.25291 0.25291 0.00000  0.00000  -0.00000 62  LEU B HD22 
1961 H  HD23 . LEU B 42 ? 0.25291 0.25291 0.25291 0.00000  0.00000  -0.00000 62  LEU B HD23 
1962 N  N    . GLN B 43 ? 0.14770 0.10320 0.14744 -0.02339 0.01692  -0.00280 63  GLN B N    
1963 C  CA   A GLN B 43 ? 0.14067 0.11963 0.15090 -0.02916 0.01145  0.00092  63  GLN B CA   
1964 C  CA   B GLN B 43 ? 0.16274 0.11149 0.15399 -0.01157 0.01959  -0.00106 63  GLN B CA   
1965 C  C    . GLN B 43 ? 0.14938 0.11022 0.14352 -0.01072 0.02510  -0.00250 63  GLN B C    
1966 O  O    . GLN B 43 ? 0.14898 0.12564 0.16210 -0.00841 0.03587  -0.01057 63  GLN B O    
1967 C  CB   A GLN B 43 ? 0.14985 0.14995 0.16094 -0.02883 -0.00827 -0.00367 63  GLN B CB   
1968 C  CB   B GLN B 43 ? 0.20215 0.12151 0.16872 0.01002  0.01505  -0.00757 63  GLN B CB   
1969 C  CG   A GLN B 43 ? 0.17264 0.18408 0.17696 -0.03642 -0.03000 0.00332  63  GLN B CG   
1970 C  CG   B GLN B 43 ? 0.24261 0.13096 0.18446 0.01646  0.01346  -0.00259 63  GLN B CG   
1971 C  CD   A GLN B 43 ? 0.21064 0.22348 0.19257 -0.04581 -0.04556 0.01092  63  GLN B CD   
1972 C  CD   B GLN B 43 ? 0.27958 0.13977 0.19750 0.02650  0.01397  0.00675  63  GLN B CD   
1973 O  OE1  A GLN B 43 ? 0.22422 0.23339 0.18385 -0.06211 -0.05153 0.02485  63  GLN B OE1  
1974 O  OE1  B GLN B 43 ? 0.29847 0.14189 0.20761 0.03539  0.02639  0.01325  63  GLN B OE1  
1975 N  NE2  A GLN B 43 ? 0.22878 0.24534 0.21123 -0.04457 -0.04656 0.00467  63  GLN B NE2  
1976 N  NE2  B GLN B 43 ? 0.29434 0.15139 0.20087 0.02396  0.00971  0.01533  63  GLN B NE2  
1977 H  H    . GLN B 43 ? 0.15947 0.15947 0.15947 0.00000  -0.00000 0.00000  63  GLN B H    
1978 H  HA   . GLN B 43 ? 0.17142 0.17142 0.17142 0.00000  0.00000  -0.00000 63  GLN B HA   
1979 H  HB2  A GLN B 43 ? 0.18443 0.18443 0.18443 0.00000  0.00000  0.00000  63  GLN B HB2  
1980 H  HB2  B GLN B 43 ? 0.19708 0.19708 0.19708 -0.00000 -0.00000 0.00000  63  GLN B HB2  
1981 H  HB3  A GLN B 43 ? 0.18443 0.18443 0.18443 0.00000  0.00000  0.00000  63  GLN B HB3  
1982 H  HB3  B GLN B 43 ? 0.19708 0.19708 0.19708 -0.00000 -0.00000 0.00000  63  GLN B HB3  
1983 H  HG2  A GLN B 43 ? 0.21361 0.21361 0.21361 -0.00000 -0.00000 0.00000  63  GLN B HG2  
1984 H  HG2  B GLN B 43 ? 0.22334 0.22334 0.22334 -0.00000 -0.00000 0.00000  63  GLN B HG2  
1985 H  HG3  A GLN B 43 ? 0.21361 0.21361 0.21361 -0.00000 -0.00000 0.00000  63  GLN B HG3  
1986 H  HG3  B GLN B 43 ? 0.22334 0.22334 0.22334 -0.00000 -0.00000 0.00000  63  GLN B HG3  
1987 H  HE21 A GLN B 43 ? 0.27427 0.27427 0.27427 -0.00000 0.00000  -0.00000 63  GLN B HE21 
1988 H  HE21 B GLN B 43 ? 0.25877 0.25877 0.25877 -0.00000 0.00000  0.00000  63  GLN B HE21 
1989 H  HE22 A GLN B 43 ? 0.27427 0.27427 0.27427 -0.00000 0.00000  -0.00000 63  GLN B HE22 
1990 H  HE22 B GLN B 43 ? 0.25877 0.25877 0.25877 -0.00000 0.00000  0.00000  63  GLN B HE22 
1991 N  N    . VAL B 44 ? 0.14334 0.09830 0.13078 -0.00957 0.02473  -0.00354 64  VAL B N    
1992 C  CA   . VAL B 44 ? 0.15042 0.08901 0.12675 -0.00640 0.02958  -0.00591 64  VAL B CA   
1993 C  C    . VAL B 44 ? 0.16432 0.09849 0.13645 -0.01325 0.03602  -0.01229 64  VAL B C    
1994 O  O    . VAL B 44 ? 0.16196 0.11263 0.13997 -0.00779 0.03966  -0.02406 64  VAL B O    
1995 C  CB   . VAL B 44 ? 0.15216 0.08901 0.13186 -0.00911 0.02860  -0.01600 64  VAL B CB   
1996 C  CG1  . VAL B 44 ? 0.16445 0.10964 0.14553 -0.01956 0.03292  -0.01982 64  VAL B CG1  
1997 C  CG2  . VAL B 44 ? 0.15585 0.07853 0.13127 -0.01076 0.03291  -0.01230 64  VAL B CG2  
1998 H  H    . VAL B 44 ? 0.14910 0.14910 0.14910 -0.00000 -0.00000 -0.00000 64  VAL B H    
1999 H  HA   . VAL B 44 ? 0.14660 0.14660 0.14660 -0.00000 0.00000  0.00000  64  VAL B HA   
2000 H  HB   . VAL B 44 ? 0.14935 0.14935 0.14935 0.00000  -0.00000 0.00000  64  VAL B HB   
2001 H  HG11 . VAL B 44 ? 0.16798 0.16798 0.16798 0.00000  -0.00000 -0.00000 64  VAL B HG11 
2002 H  HG12 . VAL B 44 ? 0.16798 0.16798 0.16798 0.00000  -0.00000 -0.00000 64  VAL B HG12 
2003 H  HG13 . VAL B 44 ? 0.16798 0.16798 0.16798 0.00000  -0.00000 -0.00000 64  VAL B HG13 
2004 H  HG21 . VAL B 44 ? 0.14639 0.14639 0.14639 -0.00000 -0.00000 -0.00000 64  VAL B HG21 
2005 H  HG22 . VAL B 44 ? 0.14639 0.14639 0.14639 -0.00000 -0.00000 -0.00000 64  VAL B HG22 
2006 H  HG23 . VAL B 44 ? 0.14639 0.14639 0.14639 -0.00000 -0.00000 -0.00000 64  VAL B HG23 
2007 N  N    . HIS B 45 ? 0.17985 0.11045 0.13659 -0.01317 0.03724  -0.01082 65  HIS B N    
2008 C  CA   . HIS B 45 ? 0.23934 0.13942 0.15545 -0.02507 0.05334  -0.00026 65  HIS B CA   
2009 C  C    . HIS B 45 ? 0.24209 0.15709 0.17257 -0.02967 0.07100  -0.01004 65  HIS B C    
2010 O  O    . HIS B 45 ? 0.25697 0.18122 0.17213 -0.02853 0.07919  -0.02095 65  HIS B O    
2011 C  CB   . HIS B 45 ? 0.30984 0.18812 0.17200 -0.03348 0.06163  0.02550  65  HIS B CB   
2012 C  CG   . HIS B 45 ? 0.39036 0.26280 0.21334 -0.04313 0.05448  0.04768  65  HIS B CG   
2013 N  ND1  . HIS B 45 ? 0.42744 0.29491 0.22891 -0.04685 0.04132  0.06490  65  HIS B ND1  
2014 C  CD2  . HIS B 45 ? 0.42527 0.29208 0.22348 -0.04936 0.05684  0.06841  65  HIS B CD2  
2015 C  CE1  . HIS B 45 ? 0.44537 0.30485 0.23720 -0.05607 0.04545  0.07587  65  HIS B CE1  
2016 N  NE2  . HIS B 45 ? 0.44554 0.30702 0.23158 -0.05467 0.05224  0.07795  65  HIS B NE2  
2017 H  H    . HIS B 45 ? 0.17089 0.17089 0.17089 0.00000  -0.00000 -0.00000 65  HIS B H    
2018 H  HA   . HIS B 45 ? 0.21382 0.21382 0.21382 0.00000  -0.00000 0.00000  65  HIS B HA   
2019 H  HB2  . HIS B 45 ? 0.26811 0.26811 0.26811 -0.00000 -0.00000 0.00000  65  HIS B HB2  
2020 H  HB3  . HIS B 45 ? 0.26811 0.26811 0.26811 -0.00000 -0.00000 0.00000  65  HIS B HB3  
2021 H  HD1  . HIS B 45 ? 0.38063 0.38063 0.38063 0.00000  0.00000  -0.00000 65  HIS B HD1  
2022 H  HD2  . HIS B 45 ? 0.37647 0.37647 0.37647 -0.00000 0.00000  0.00000  65  HIS B HD2  
2023 H  HE1  . HIS B 45 ? 0.39510 0.39510 0.39510 0.00000  0.00000  -0.00000 65  HIS B HE1  
2024 N  N    . ASN B 46 ? 0.22584 0.15065 0.18682 -0.03992 0.08869  -0.01322 66  ASN B N    
2025 C  CA   . ASN B 46 ? 0.22328 0.17197 0.22311 -0.04432 0.10354  -0.01182 66  ASN B CA   
2026 C  C    . ASN B 46 ? 0.20308 0.19818 0.23319 -0.04149 0.11229  -0.01384 66  ASN B C    
2027 O  O    . ASN B 46 ? 0.22029 0.23698 0.24810 -0.02147 0.10981  -0.01559 66  ASN B O    
2028 C  CB   . ASN B 46 ? 0.25248 0.18715 0.24712 -0.05826 0.10850  0.00257  66  ASN B CB   
2029 C  CG   . ASN B 46 ? 0.30064 0.19786 0.27012 -0.06211 0.09802  0.01737  66  ASN B CG   
2030 O  OD1  . ASN B 46 ? 0.33526 0.21515 0.29305 -0.05040 0.07419  0.02308  66  ASN B OD1  
2031 N  ND2  . ASN B 46 ? 0.31505 0.20416 0.27228 -0.06198 0.10686  0.02227  66  ASN B ND2  
2032 H  H    . ASN B 46 ? 0.22545 0.22545 0.22545 0.00000  0.00000  0.00000  66  ASN B H    
2033 H  HA   . ASN B 46 ? 0.24748 0.24748 0.24748 0.00000  0.00000  0.00000  66  ASN B HA   
2034 H  HB2  . ASN B 46 ? 0.27483 0.27483 0.27483 -0.00000 -0.00000 0.00000  66  ASN B HB2  
2035 H  HB3  . ASN B 46 ? 0.27483 0.27483 0.27483 -0.00000 -0.00000 0.00000  66  ASN B HB3  
2036 H  HD21 . ASN B 46 ? 0.31673 0.31673 0.31673 0.00000  0.00000  0.00000  66  ASN B HD21 
2037 H  HD22 . ASN B 46 ? 0.31673 0.31673 0.31673 0.00000  0.00000  0.00000  66  ASN B HD22 
2038 N  N    . GLU B 47 ? 0.18642 0.19441 0.23896 -0.04507 0.09990  -0.02034 67  GLU B N    
2039 C  CA   . GLU B 47 ? 0.18183 0.21162 0.25189 -0.04077 0.07731  -0.02311 67  GLU B CA   
2040 C  C    . GLU B 47 ? 0.16143 0.18313 0.21406 -0.01889 0.06726  -0.01035 67  GLU B C    
2041 O  O    . GLU B 47 ? 0.16931 0.19680 0.24747 -0.00869 0.04226  -0.00016 67  GLU B O    
2042 C  CB   . GLU B 47 ? 0.22603 0.26162 0.30791 -0.06140 0.05741  -0.02252 67  GLU B CB   
2043 C  CG   . GLU B 47 ? 0.29420 0.30815 0.36632 -0.08432 0.02301  -0.02629 67  GLU B CG   
2044 C  CD   . GLU B 47 ? 0.35057 0.34714 0.41524 -0.10649 -0.00491 -0.02673 67  GLU B CD   
2045 O  OE1  . GLU B 47 ? 0.36538 0.36422 0.43226 -0.10931 -0.01752 -0.02443 67  GLU B OE1  
2046 O  OE2  . GLU B 47 ? 0.37877 0.36321 0.43535 -0.11361 -0.01097 -0.03018 67  GLU B OE2  
2047 H  H    . GLU B 47 ? 0.24805 0.24805 0.24805 -0.00000 -0.00000 0.00000  67  GLU B H    
2048 H  HA   . GLU B 47 ? 0.25827 0.25827 0.25827 -0.00000 0.00000  0.00000  67  GLU B HA   
2049 H  HB2  . GLU B 47 ? 0.31836 0.31836 0.31836 0.00000  0.00000  0.00000  67  GLU B HB2  
2050 H  HB3  . GLU B 47 ? 0.31836 0.31836 0.31836 0.00000  0.00000  0.00000  67  GLU B HB3  
2051 H  HG2  . GLU B 47 ? 0.38760 0.38760 0.38760 0.00000  -0.00000 0.00000  67  GLU B HG2  
2052 H  HG3  . GLU B 47 ? 0.38760 0.38760 0.38760 0.00000  -0.00000 0.00000  67  GLU B HG3  
2053 N  N    . GLY B 48 ? 0.15513 0.15893 0.16396 -0.01082 0.05670  -0.00631 68  GLY B N    
2054 C  CA   . GLY B 48 ? 0.15654 0.14825 0.13958 -0.00257 0.04784  -0.01480 68  GLY B CA   
2055 C  C    . GLY B 48 ? 0.14075 0.12553 0.12629 0.00142  0.03633  -0.01983 68  GLY B C    
2056 O  O    . GLY B 48 ? 0.13955 0.12069 0.12283 0.00094  0.02952  -0.01329 68  GLY B O    
2057 H  H    . GLY B 48 ? 0.19134 0.19134 0.19134 -0.00000 -0.00000 0.00000  68  GLY B H    
2058 H  HA2  . GLY B 48 ? 0.17788 0.17788 0.17788 0.00000  0.00000  0.00000  68  GLY B HA2  
2059 H  HA3  . GLY B 48 ? 0.17788 0.17788 0.17788 0.00000  0.00000  0.00000  68  GLY B HA3  
2060 N  N    . LYS B 49 ? 0.14108 0.13617 0.12601 -0.00604 0.03740  -0.01481 69  LYS B N    
2061 C  CA   . LYS B 49 ? 0.13132 0.13800 0.12650 -0.00247 0.02983  -0.00857 69  LYS B CA   
2062 C  C    . LYS B 49 ? 0.13650 0.14155 0.11904 -0.01830 0.01837  -0.01247 69  LYS B C    
2063 O  O    . LYS B 49 ? 0.14968 0.16935 0.13236 -0.03865 0.02733  -0.01940 69  LYS B O    
2064 C  CB   . LYS B 49 ? 0.17365 0.17406 0.16728 0.02663  0.02587  -0.01504 69  LYS B CB   
2065 C  CG   . LYS B 49 ? 0.21674 0.24051 0.24915 0.04971  0.01860  -0.02357 69  LYS B CG   
2066 C  CD   . LYS B 49 ? 0.26602 0.31008 0.32031 0.04058  0.02064  -0.03473 69  LYS B CD   
2067 C  CE   . LYS B 49 ? 0.30636 0.36634 0.37182 0.02645  0.02240  -0.04622 69  LYS B CE   
2068 N  NZ   . LYS B 49 ? 0.32994 0.39650 0.39799 0.01698  0.02187  -0.05224 69  LYS B NZ   
2069 H  H    . LYS B 49 ? 0.16143 0.16143 0.16143 0.00000  -0.00000 -0.00000 69  LYS B H    
2070 H  HA   . LYS B 49 ? 0.15846 0.15846 0.15846 0.00000  0.00000  -0.00000 69  LYS B HA   
2071 H  HB2  . LYS B 49 ? 0.20612 0.20612 0.20612 0.00000  0.00000  0.00000  69  LYS B HB2  
2072 H  HB3  . LYS B 49 ? 0.20612 0.20612 0.20612 0.00000  0.00000  0.00000  69  LYS B HB3  
2073 H  HG2  . LYS B 49 ? 0.28269 0.28269 0.28269 -0.00000 0.00000  -0.00000 69  LYS B HG2  
2074 H  HG3  . LYS B 49 ? 0.28269 0.28269 0.28269 -0.00000 0.00000  -0.00000 69  LYS B HG3  
2075 H  HD2  . LYS B 49 ? 0.35870 0.35870 0.35870 0.00000  -0.00000 0.00000  69  LYS B HD2  
2076 H  HD3  . LYS B 49 ? 0.35870 0.35870 0.35870 0.00000  -0.00000 0.00000  69  LYS B HD3  
2077 H  HE2  . LYS B 49 ? 0.41794 0.41794 0.41794 0.00000  0.00000  0.00000  69  LYS B HE2  
2078 H  HE3  . LYS B 49 ? 0.41794 0.41794 0.41794 0.00000  0.00000  0.00000  69  LYS B HE3  
2079 H  HZ1  . LYS B 49 ? 0.44990 0.44990 0.44990 0.00000  0.00000  0.00000  69  LYS B HZ1  
2080 H  HZ2  . LYS B 49 ? 0.44990 0.44990 0.44990 0.00000  0.00000  0.00000  69  LYS B HZ2  
2081 H  HZ3  . LYS B 49 ? 0.44990 0.44990 0.44990 0.00000  0.00000  0.00000  69  LYS B HZ3  
2082 N  N    . ALA B 50 ? 0.13913 0.12844 0.11564 -0.01122 0.01404  -0.01642 70  ALA B N    
2083 C  CA   . ALA B 50 ? 0.14884 0.12365 0.11560 -0.01653 0.01002  -0.01642 70  ALA B CA   
2084 C  C    . ALA B 50 ? 0.13116 0.10676 0.10963 -0.00777 0.00937  -0.00936 70  ALA B C    
2085 O  O    . ALA B 50 ? 0.13959 0.09262 0.10697 -0.01146 0.00927  -0.00996 70  ALA B O    
2086 C  CB   . ALA B 50 ? 0.18545 0.11803 0.11408 -0.01675 0.01461  -0.01531 70  ALA B CB   
2087 H  H    . ALA B 50 ? 0.15342 0.15342 0.15342 0.00000  -0.00000 0.00000  70  ALA B H    
2088 H  HA   . ALA B 50 ? 0.15537 0.15537 0.15537 0.00000  -0.00000 0.00000  70  ALA B HA   
2089 H  HB1  . ALA B 50 ? 0.16716 0.16716 0.16716 0.00000  -0.00000 -0.00000 70  ALA B HB1  
2090 H  HB2  . ALA B 50 ? 0.16716 0.16716 0.16716 0.00000  -0.00000 -0.00000 70  ALA B HB2  
2091 H  HB3  . ALA B 50 ? 0.16716 0.16716 0.16716 0.00000  -0.00000 -0.00000 70  ALA B HB3  
2092 N  N    . VAL B 51 ? 0.13800 0.12037 0.12068 -0.00786 0.00824  -0.00787 71  VAL B N    
2093 C  CA   . VAL B 51 ? 0.14956 0.09877 0.11178 -0.01160 0.00091  -0.00682 71  VAL B CA   
2094 C  C    . VAL B 51 ? 0.16741 0.07711 0.11491 -0.01553 0.00739  -0.00271 71  VAL B C    
2095 O  O    . VAL B 51 ? 0.18158 0.08739 0.17490 -0.01788 0.02120  -0.00278 71  VAL B O    
2096 C  CB   . VAL B 51 ? 0.17329 0.13165 0.12534 -0.00863 -0.01623 -0.00172 71  VAL B CB   
2097 C  CG1  . VAL B 51 ? 0.18911 0.13715 0.13051 -0.02367 -0.01643 -0.00349 71  VAL B CG1  
2098 C  CG2  . VAL B 51 ? 0.18449 0.17047 0.15900 0.02343  -0.03368 -0.00247 71  VAL B CG2  
2099 H  H    . VAL B 51 ? 0.15175 0.15175 0.15175 0.00000  -0.00000 0.00000  71  VAL B H    
2100 H  HA   . VAL B 51 ? 0.14417 0.14417 0.14417 -0.00000 -0.00000 0.00000  71  VAL B HA   
2101 H  HB   . VAL B 51 ? 0.17224 0.17224 0.17224 -0.00000 -0.00000 0.00000  71  VAL B HB   
2102 H  HG11 . VAL B 51 ? 0.18284 0.18284 0.18284 0.00000  0.00000  0.00000  71  VAL B HG11 
2103 H  HG12 . VAL B 51 ? 0.18284 0.18284 0.18284 0.00000  0.00000  0.00000  71  VAL B HG12 
2104 H  HG13 . VAL B 51 ? 0.18284 0.18284 0.18284 0.00000  0.00000  0.00000  71  VAL B HG13 
2105 H  HG21 . VAL B 51 ? 0.20572 0.20572 0.20572 0.00000  0.00000  0.00000  71  VAL B HG21 
2106 H  HG22 . VAL B 51 ? 0.20572 0.20572 0.20572 0.00000  0.00000  0.00000  71  VAL B HG22 
2107 H  HG23 . VAL B 51 ? 0.20572 0.20572 0.20572 0.00000  0.00000  0.00000  71  VAL B HG23 
2108 N  N    . VAL B 52 ? 0.15426 0.06185 0.10662 0.00244  0.00732  -0.00613 72  VAL B N    
2109 C  CA   . VAL B 52 ? 0.17076 0.06213 0.11835 0.00279  0.01011  -0.00677 72  VAL B CA   
2110 C  C    . VAL B 52 ? 0.18965 0.06747 0.12414 0.01634  0.01931  -0.00703 72  VAL B C    
2111 O  O    . VAL B 52 ? 0.24159 0.09529 0.14149 0.05422  0.03877  -0.00393 72  VAL B O    
2112 C  CB   . VAL B 52 ? 0.15635 0.07557 0.12043 0.01011  0.00273  -0.01028 72  VAL B CB   
2113 C  CG1  . VAL B 52 ? 0.15698 0.08311 0.12610 0.01536  0.00037  -0.00113 72  VAL B CG1  
2114 C  CG2  . VAL B 52 ? 0.16967 0.08605 0.13636 -0.00005 0.00336  -0.00701 72  VAL B CG2  
2115 H  H    . VAL B 52 ? 0.12922 0.12922 0.12922 0.00000  0.00000  0.00000  72  VAL B H    
2116 H  HA   . VAL B 52 ? 0.14063 0.14063 0.14063 -0.00000 -0.00000 0.00000  72  VAL B HA   
2117 H  HB   . VAL B 52 ? 0.14107 0.14107 0.14107 -0.00000 -0.00000 0.00000  72  VAL B HB   
2118 H  HG11 . VAL B 52 ? 0.14660 0.14660 0.14660 -0.00000 -0.00000 -0.00000 72  VAL B HG11 
2119 H  HG12 . VAL B 52 ? 0.14660 0.14660 0.14660 -0.00000 -0.00000 -0.00000 72  VAL B HG12 
2120 H  HG13 . VAL B 52 ? 0.14660 0.14660 0.14660 -0.00000 -0.00000 -0.00000 72  VAL B HG13 
2121 H  HG21 . VAL B 52 ? 0.15696 0.15696 0.15696 0.00000  -0.00000 0.00000  72  VAL B HG21 
2122 H  HG22 . VAL B 52 ? 0.15696 0.15696 0.15696 0.00000  -0.00000 0.00000  72  VAL B HG22 
2123 H  HG23 . VAL B 52 ? 0.15696 0.15696 0.15696 0.00000  -0.00000 0.00000  72  VAL B HG23 
2124 N  N    . SER B 53 ? 0.18023 0.07108 0.11233 0.01470  0.01771  -0.00891 73  SER B N    
2125 C  CA   A SER B 53 ? 0.18242 0.08830 0.12065 0.01723  0.02418  -0.00805 73  SER B CA   
2126 C  CA   B SER B 53 ? 0.17778 0.08589 0.11691 0.01560  0.02187  -0.00513 73  SER B CA   
2127 C  C    . SER B 53 ? 0.16817 0.07771 0.11341 0.00637  0.00870  -0.01667 73  SER B C    
2128 O  O    . SER B 53 ? 0.15123 0.08555 0.11102 -0.00623 0.00047  -0.01198 73  SER B O    
2129 C  CB   A SER B 53 ? 0.17836 0.11555 0.13951 0.01617  0.03034  -0.00371 73  SER B CB   
2130 C  CB   B SER B 53 ? 0.17962 0.10934 0.12761 0.02263  0.03466  0.00807  73  SER B CB   
2131 O  OG   A SER B 53 ? 0.16237 0.11765 0.12912 0.00910  0.02267  -0.00641 73  SER B OG   
2132 O  OG   B SER B 53 ? 0.18059 0.12101 0.13292 0.02353  0.03710  0.01731  73  SER B OG   
2133 H  H    . SER B 53 ? 0.14558 0.14558 0.14558 -0.00000 -0.00000 -0.00000 73  SER B H    
2134 H  HA   . SER B 53 ? 0.15236 0.15236 0.15236 0.00000  0.00000  0.00000  73  SER B HA   
2135 H  HB2  A SER B 53 ? 0.17350 0.17350 0.17350 0.00000  0.00000  0.00000  73  SER B HB2  
2136 H  HB2  B SER B 53 ? 0.16676 0.16676 0.16676 0.00000  0.00000  0.00000  73  SER B HB2  
2137 H  HB3  A SER B 53 ? 0.17350 0.17350 0.17350 0.00000  0.00000  0.00000  73  SER B HB3  
2138 H  HB3  B SER B 53 ? 0.16676 0.16676 0.16676 0.00000  0.00000  0.00000  73  SER B HB3  
2139 H  HG   A SER B 53 ? 0.16379 0.16379 0.16379 -0.00000 -0.00000 0.00000  73  SER B HG   
2140 H  HG   B SER B 53 ? 0.17394 0.17394 0.17394 0.00000  0.00000  -0.00000 73  SER B HG   
2141 N  N    . ALA B 54 ? 0.17374 0.09781 0.11898 0.00708  0.00304  -0.02089 74  ALA B N    
2142 C  CA   . ALA B 54 ? 0.17467 0.12298 0.12048 -0.01272 -0.00741 -0.03189 74  ALA B CA   
2143 C  C    . ALA B 54 ? 0.17842 0.12262 0.10762 -0.00602 -0.01364 -0.03016 74  ALA B C    
2144 O  O    . ALA B 54 ? 0.21074 0.12802 0.12178 0.01028  0.00263  -0.03287 74  ALA B O    
2145 C  CB   . ALA B 54 ? 0.19244 0.16955 0.15817 -0.03593 -0.01056 -0.02638 74  ALA B CB   
2146 H  H    . ALA B 54 ? 0.15634 0.15634 0.15634 0.00000  0.00000  0.00000  74  ALA B H    
2147 H  HA   . ALA B 54 ? 0.16738 0.16738 0.16738 -0.00000 -0.00000 -0.00000 74  ALA B HA   
2148 H  HB1  . ALA B 54 ? 0.20819 0.20819 0.20819 0.00000  0.00000  0.00000  74  ALA B HB1  
2149 H  HB2  . ALA B 54 ? 0.20819 0.20819 0.20819 0.00000  0.00000  0.00000  74  ALA B HB2  
2150 H  HB3  . ALA B 54 ? 0.20819 0.20819 0.20819 0.00000  0.00000  0.00000  74  ALA B HB3  
2151 N  N    . GLY B 55 ? 0.17692 0.13346 0.10575 0.00577  -0.01206 -0.01775 75  GLY B N    
2152 C  CA   . GLY B 55 ? 0.18028 0.14937 0.09902 0.00020  -0.01045 -0.01453 75  GLY B CA   
2153 C  C    . GLY B 55 ? 0.16789 0.15645 0.10006 0.00189  -0.01297 -0.01426 75  GLY B C    
2154 O  O    . GLY B 55 ? 0.15706 0.14858 0.12944 0.00410  -0.00312 0.00176  75  GLY B O    
2155 H  H    . GLY B 55 ? 0.16659 0.16659 0.16659 0.00000  0.00000  0.00000  75  GLY B H    
2156 H  HA2  . GLY B 55 ? 0.17160 0.17160 0.17160 0.00000  -0.00000 0.00000  75  GLY B HA2  
2157 H  HA3  . GLY B 55 ? 0.17160 0.17160 0.17160 0.00000  -0.00000 0.00000  75  GLY B HA3  
2158 N  N    . SER B 56 ? 0.16807 0.17009 0.09026 0.00716  -0.01350 0.00378  76  SER B N    
2159 C  CA   . SER B 56 ? 0.16629 0.18369 0.10301 -0.00083 -0.01545 0.01318  76  SER B CA   
2160 C  C    . SER B 56 ? 0.15768 0.15513 0.10164 -0.00391 -0.02063 0.02981  76  SER B C    
2161 O  O    . SER B 56 ? 0.15117 0.14588 0.10080 -0.00911 -0.01486 0.02523  76  SER B O    
2162 C  CB   . SER B 56 ? 0.17909 0.21937 0.10267 -0.00415 -0.01438 0.01825  76  SER B CB   
2163 O  OG   . SER B 56 ? 0.17540 0.23710 0.10728 -0.00162 -0.00665 0.02791  76  SER B OG   
2164 H  H    . SER B 56 ? 0.17150 0.17150 0.17150 0.00000  -0.00000 0.00000  76  SER B H    
2165 H  HA   . SER B 56 ? 0.18133 0.18133 0.18133 -0.00000 -0.00000 0.00000  76  SER B HA   
2166 H  HB2  . SER B 56 ? 0.20058 0.20058 0.20058 0.00000  0.00000  0.00000  76  SER B HB2  
2167 H  HB3  . SER B 56 ? 0.20058 0.20058 0.20058 0.00000  0.00000  0.00000  76  SER B HB3  
2168 H  HG   . SER B 56 ? 0.20804 0.20804 0.20804 -0.00000 -0.00000 -0.00000 76  SER B HG   
2169 N  N    . ARG B 57 ? 0.16588 0.15898 0.11656 -0.00552 -0.02591 0.03597  77  ARG B N    
2170 C  CA   . ARG B 57 ? 0.17499 0.14538 0.12937 -0.01366 -0.02032 0.03698  77  ARG B CA   
2171 C  C    . ARG B 57 ? 0.15905 0.13679 0.11252 -0.01622 -0.00823 0.03745  77  ARG B C    
2172 O  O    . ARG B 57 ? 0.15202 0.12868 0.10694 -0.01316 -0.00957 0.04092  77  ARG B O    
2173 C  CB   . ARG B 57 ? 0.21920 0.14776 0.16300 -0.00441 -0.02626 0.04740  77  ARG B CB   
2174 C  CG   . ARG B 57 ? 0.26793 0.15219 0.20303 0.00669  -0.03845 0.04318  77  ARG B CG   
2175 C  CD   . ARG B 57 ? 0.32537 0.17075 0.23990 0.03326  -0.04603 0.02926  77  ARG B CD   
2176 N  NE   . ARG B 57 ? 0.38204 0.20067 0.28282 0.05129  -0.04648 0.01603  77  ARG B NE   
2177 C  CZ   . ARG B 57 ? 0.43171 0.23461 0.32633 0.06411  -0.05004 0.00641  77  ARG B CZ   
2178 N  NH1  . ARG B 57 ? 0.44818 0.25394 0.34070 0.06930  -0.05467 0.01426  77  ARG B NH1  
2179 N  NH2  . ARG B 57 ? 0.45244 0.24637 0.34549 0.06101  -0.04910 -0.00611 77  ARG B NH2  
2180 H  H    . ARG B 57 ? 0.17670 0.17670 0.17670 -0.00000 -0.00000 -0.00000 77  ARG B H    
2181 H  HA   . ARG B 57 ? 0.18003 0.18003 0.18003 0.00000  0.00000  0.00000  77  ARG B HA   
2182 H  HB2  . ARG B 57 ? 0.21212 0.21212 0.21212 0.00000  -0.00000 -0.00000 77  ARG B HB2  
2183 H  HB3  . ARG B 57 ? 0.21212 0.21212 0.21212 0.00000  -0.00000 -0.00000 77  ARG B HB3  
2184 H  HG2  . ARG B 57 ? 0.24939 0.24939 0.24939 0.00000  -0.00000 0.00000  77  ARG B HG2  
2185 H  HG3  . ARG B 57 ? 0.24939 0.24939 0.24939 0.00000  -0.00000 0.00000  77  ARG B HG3  
2186 H  HD2  . ARG B 57 ? 0.29454 0.29454 0.29454 0.00000  0.00000  0.00000  77  ARG B HD2  
2187 H  HD3  . ARG B 57 ? 0.29454 0.29454 0.29454 0.00000  0.00000  0.00000  77  ARG B HD3  
2188 H  HE   . ARG B 57 ? 0.34634 0.34634 0.34634 -0.00000 0.00000  0.00000  77  ARG B HE   
2189 H  HH11 . ARG B 57 ? 0.41726 0.41726 0.41726 0.00000  0.00000  0.00000  77  ARG B HH11 
2190 H  HH12 . ARG B 57 ? 0.41726 0.41726 0.41726 0.00000  0.00000  0.00000  77  ARG B HH12 
2191 H  HH21 . ARG B 57 ? 0.41785 0.41785 0.41785 0.00000  0.00000  0.00000  77  ARG B HH21 
2192 H  HH22 . ARG B 57 ? 0.41785 0.41785 0.41785 0.00000  0.00000  0.00000  77  ARG B HH22 
2193 N  N    . GLU B 58 ? 0.16197 0.14733 0.11425 -0.01923 -0.01076 0.04468  78  GLU B N    
2194 C  CA   . GLU B 58 ? 0.16637 0.15128 0.10620 -0.02841 -0.00559 0.03488  78  GLU B CA   
2195 C  C    . GLU B 58 ? 0.15500 0.14232 0.09375 -0.02229 0.01416  0.02264  78  GLU B C    
2196 O  O    . GLU B 58 ? 0.14848 0.14130 0.09901 -0.01367 0.00107  0.01855  78  GLU B O    
2197 C  CB   . GLU B 58 ? 0.18860 0.16568 0.10915 -0.03980 0.00628  0.03380  78  GLU B CB   
2198 C  CG   . GLU B 58 ? 0.18676 0.16851 0.12606 -0.03676 -0.00161 0.03714  78  GLU B CG   
2199 C  CD   . GLU B 58 ? 0.16421 0.13981 0.11883 -0.01134 -0.00463 0.04486  78  GLU B CD   
2200 O  OE1  . GLU B 58 ? 0.14568 0.13110 0.12064 -0.00597 -0.00210 0.04244  78  GLU B OE1  
2201 O  OE2  . GLU B 58 ? 0.17944 0.12660 0.12336 -0.00297 0.00394  0.03223  78  GLU B OE2  
2202 H  H    . GLU B 58 ? 0.16955 0.16955 0.16955 0.00000  -0.00000 -0.00000 78  GLU B H    
2203 H  HA   . GLU B 58 ? 0.16967 0.16967 0.16967 0.00000  -0.00000 -0.00000 78  GLU B HA   
2204 H  HB2  . GLU B 58 ? 0.18550 0.18550 0.18550 0.00000  0.00000  0.00000  78  GLU B HB2  
2205 H  HB3  . GLU B 58 ? 0.18550 0.18550 0.18550 0.00000  0.00000  0.00000  78  GLU B HB3  
2206 H  HG2  . GLU B 58 ? 0.19266 0.19266 0.19266 0.00000  0.00000  0.00000  78  GLU B HG2  
2207 H  HG3  . GLU B 58 ? 0.19266 0.19266 0.19266 0.00000  0.00000  0.00000  78  GLU B HG3  
2208 N  N    . SER B 59 ? 0.15378 0.13789 0.09395 -0.01636 0.00627  0.01416  79  SER B N    
2209 C  CA   . SER B 59 ? 0.14917 0.13762 0.09580 -0.01019 0.00906  0.01169  79  SER B CA   
2210 C  C    . SER B 59 ? 0.13636 0.11224 0.09612 -0.00194 0.00415  0.01383  79  SER B C    
2211 O  O    . SER B 59 ? 0.13213 0.12266 0.10044 0.00516  0.00316  0.01163  79  SER B O    
2212 C  CB   . SER B 59 ? 0.18023 0.16316 0.09901 -0.00310 0.01144  -0.00169 79  SER B CB   
2213 O  OG   . SER B 59 ? 0.20389 0.19485 0.12446 0.00678  0.00776  -0.01380 79  SER B OG   
2214 H  H    . SER B 59 ? 0.15438 0.15438 0.15438 0.00000  -0.00000 -0.00000 79  SER B H    
2215 H  HA   . SER B 59 ? 0.15316 0.15316 0.15316 0.00000  -0.00000 -0.00000 79  SER B HA   
2216 H  HB2  . SER B 59 ? 0.17709 0.17709 0.17709 0.00000  0.00000  -0.00000 79  SER B HB2  
2217 H  HB3  . SER B 59 ? 0.17709 0.17709 0.17709 0.00000  0.00000  -0.00000 79  SER B HB3  
2218 H  HG   . SER B 59 ? 0.20941 0.20941 0.20941 0.00000  -0.00000 0.00000  79  SER B HG   
2219 N  N    . MET B 60 ? 0.12845 0.11073 0.09435 -0.00537 -0.00901 0.02007  80  MET B N    
2220 C  CA   . MET B 60 ? 0.12136 0.10164 0.08830 -0.00157 -0.00016 0.01777  80  MET B CA   
2221 C  C    . MET B 60 ? 0.12522 0.09534 0.09288 0.00556  0.00863  0.01930  80  MET B C    
2222 O  O    . MET B 60 ? 0.12391 0.10385 0.09290 -0.00197 0.00127  0.02692  80  MET B O    
2223 C  CB   . MET B 60 ? 0.13219 0.10632 0.10341 0.00650  -0.00359 0.02604  80  MET B CB   
2224 C  CG   . MET B 60 ? 0.13867 0.11923 0.10018 -0.00253 -0.00963 0.02269  80  MET B CG   
2225 S  SD   . MET B 60 ? 0.13936 0.10945 0.09836 -0.01264 -0.00828 0.00826  80  MET B SD   
2226 C  CE   . MET B 60 ? 0.15476 0.11220 0.10711 -0.00572 -0.00801 -0.00235 80  MET B CE   
2227 H  H    . MET B 60 ? 0.13354 0.13354 0.13354 0.00000  0.00000  -0.00000 80  MET B H    
2228 H  HA   . MET B 60 ? 0.12465 0.12465 0.12465 -0.00000 0.00000  0.00000  80  MET B HA   
2229 H  HB2  . MET B 60 ? 0.13690 0.13690 0.13690 -0.00000 -0.00000 -0.00000 80  MET B HB2  
2230 H  HB3  . MET B 60 ? 0.13690 0.13690 0.13690 -0.00000 -0.00000 -0.00000 80  MET B HB3  
2231 H  HG2  . MET B 60 ? 0.14336 0.14336 0.14336 0.00000  -0.00000 0.00000  80  MET B HG2  
2232 H  HG3  . MET B 60 ? 0.14336 0.14336 0.14336 0.00000  -0.00000 0.00000  80  MET B HG3  
2233 H  HE1  . MET B 60 ? 0.14976 0.14976 0.14976 -0.00000 0.00000  0.00000  80  MET B HE1  
2234 H  HE2  . MET B 60 ? 0.14976 0.14976 0.14976 -0.00000 0.00000  0.00000  80  MET B HE2  
2235 H  HE3  . MET B 60 ? 0.14976 0.14976 0.14976 -0.00000 0.00000  0.00000  80  MET B HE3  
2236 N  N    . GLU B 61 ? 0.14297 0.09719 0.09430 0.00210  0.00068  0.02877  81  GLU B N    
2237 C  CA   . GLU B 61 ? 0.14165 0.09371 0.09535 -0.00337 -0.00259 0.02113  81  GLU B CA   
2238 C  C    . GLU B 61 ? 0.14233 0.08572 0.08964 -0.01015 0.00109  0.02617  81  GLU B C    
2239 O  O    . GLU B 61 ? 0.14190 0.09833 0.09624 -0.00330 -0.00745 0.02160  81  GLU B O    
2240 C  CB   . GLU B 61 ? 0.14228 0.10074 0.09998 -0.00319 -0.00626 0.02305  81  GLU B CB   
2241 C  CG   . GLU B 61 ? 0.14328 0.09762 0.11795 0.01015  0.01043  0.01477  81  GLU B CG   
2242 C  CD   . GLU B 61 ? 0.13856 0.10312 0.12321 0.01196  0.00877  0.02831  81  GLU B CD   
2243 O  OE1  . GLU B 61 ? 0.13914 0.10060 0.11881 0.01189  0.01243  0.03378  81  GLU B OE1  
2244 O  OE2  . GLU B 61 ? 0.15290 0.11727 0.15542 0.02564  0.02236  0.04465  81  GLU B OE2  
2245 H  H    . GLU B 61 ? 0.13391 0.13391 0.13391 -0.00000 -0.00000 -0.00000 81  GLU B H    
2246 H  HA   . GLU B 61 ? 0.13242 0.13242 0.13242 0.00000  0.00000  0.00000  81  GLU B HA   
2247 H  HB2  . GLU B 61 ? 0.13733 0.13733 0.13733 -0.00000 -0.00000 -0.00000 81  GLU B HB2  
2248 H  HB3  . GLU B 61 ? 0.13733 0.13733 0.13733 -0.00000 -0.00000 -0.00000 81  GLU B HB3  
2249 H  HG2  . GLU B 61 ? 0.14367 0.14367 0.14367 -0.00000 -0.00000 -0.00000 81  GLU B HG2  
2250 H  HG3  . GLU B 61 ? 0.14367 0.14367 0.14367 -0.00000 -0.00000 -0.00000 81  GLU B HG3  
2251 N  N    . VAL B 62 ? 0.13601 0.10319 0.08442 -0.00815 0.00148  0.02039  82  VAL B N    
2252 C  CA   . VAL B 62 ? 0.12727 0.10641 0.09019 -0.00217 0.00508  0.02637  82  VAL B CA   
2253 C  C    . VAL B 62 ? 0.12030 0.09993 0.08811 -0.00336 0.00567  0.01883  82  VAL B C    
2254 O  O    . VAL B 62 ? 0.12289 0.10685 0.08861 0.00125  0.00026  0.02670  82  VAL B O    
2255 C  CB   . VAL B 62 ? 0.14412 0.11918 0.09837 -0.00319 0.01435  0.02964  82  VAL B CB   
2256 C  CG1  . VAL B 62 ? 0.15299 0.14276 0.10832 0.02077  0.02681  0.02877  82  VAL B CG1  
2257 C  CG2  . VAL B 62 ? 0.14464 0.13624 0.11039 -0.01597 0.01653  0.03803  82  VAL B CG2  
2258 H  H    . VAL B 62 ? 0.12958 0.12958 0.12958 -0.00000 -0.00000 0.00000  82  VAL B H    
2259 H  HA   . VAL B 62 ? 0.12968 0.12968 0.12968 -0.00000 0.00000  -0.00000 82  VAL B HA   
2260 H  HB   . VAL B 62 ? 0.14480 0.14480 0.14480 -0.00000 -0.00000 -0.00000 82  VAL B HB   
2261 H  HG11 . VAL B 62 ? 0.16176 0.16176 0.16176 0.00000  -0.00000 0.00000  82  VAL B HG11 
2262 H  HG12 . VAL B 62 ? 0.16176 0.16176 0.16176 0.00000  -0.00000 0.00000  82  VAL B HG12 
2263 H  HG13 . VAL B 62 ? 0.16176 0.16176 0.16176 0.00000  -0.00000 0.00000  82  VAL B HG13 
2264 H  HG21 . VAL B 62 ? 0.15664 0.15664 0.15664 -0.00000 -0.00000 0.00000  82  VAL B HG21 
2265 H  HG22 . VAL B 62 ? 0.15664 0.15664 0.15664 -0.00000 -0.00000 0.00000  82  VAL B HG22 
2266 H  HG23 . VAL B 62 ? 0.15664 0.15664 0.15664 -0.00000 -0.00000 0.00000  82  VAL B HG23 
2267 N  N    . ASP B 63 ? 0.12062 0.09737 0.08291 0.00485  -0.00415 0.02050  83  ASP B N    
2268 C  CA   . ASP B 63 ? 0.12597 0.08140 0.08771 0.00708  0.00203  0.01349  83  ASP B CA   
2269 C  C    . ASP B 63 ? 0.11534 0.07970 0.08453 -0.00531 0.00237  0.00977  83  ASP B C    
2270 O  O    . ASP B 63 ? 0.12189 0.07943 0.08098 -0.00102 0.00024  0.01734  83  ASP B O    
2271 C  CB   . ASP B 63 ? 0.13234 0.09278 0.09569 -0.00527 0.00030  0.01536  83  ASP B CB   
2272 C  CG   . ASP B 63 ? 0.14958 0.11301 0.10344 -0.00733 -0.00264 0.00518  83  ASP B CG   
2273 O  OD1  . ASP B 63 ? 0.17396 0.11384 0.11203 0.00572  0.01288  0.00379  83  ASP B OD1  
2274 O  OD2  . ASP B 63 ? 0.16967 0.15412 0.13133 0.00148  -0.02790 -0.01985 83  ASP B OD2  
2275 H  H    . ASP B 63 ? 0.12049 0.12049 0.12049 0.00000  0.00000  0.00000  83  ASP B H    
2276 H  HA   . ASP B 63 ? 0.11816 0.11816 0.11816 0.00000  0.00000  0.00000  83  ASP B HA   
2277 H  HB2  . ASP B 63 ? 0.12846 0.12846 0.12846 -0.00000 0.00000  0.00000  83  ASP B HB2  
2278 H  HB3  . ASP B 63 ? 0.12846 0.12846 0.12846 -0.00000 0.00000  0.00000  83  ASP B HB3  
2279 N  N    . VAL B 64 ? 0.12098 0.07961 0.08408 0.00291  -0.00131 0.01359  84  VAL B N    
2280 C  CA   . VAL B 64 ? 0.13163 0.07406 0.08311 0.00234  0.00400  0.01158  84  VAL B CA   
2281 C  C    . VAL B 64 ? 0.13235 0.07613 0.09030 0.00199  -0.00127 0.00983  84  VAL B C    
2282 O  O    . VAL B 64 ? 0.13581 0.08342 0.08388 -0.00183 -0.00974 0.01506  84  VAL B O    
2283 C  CB   . VAL B 64 ? 0.14399 0.08758 0.09199 0.01173  0.00061  0.01512  84  VAL B CB   
2284 C  CG1  . VAL B 64 ? 0.15867 0.08901 0.10606 0.01091  0.00200  0.00846  84  VAL B CG1  
2285 C  CG2  . VAL B 64 ? 0.13567 0.10882 0.09788 0.01929  0.00704  0.01213  84  VAL B CG2  
2286 H  H    . VAL B 64 ? 0.11400 0.11400 0.11400 0.00000  0.00000  0.00000  84  VAL B H    
2287 H  HA   . VAL B 64 ? 0.11565 0.11565 0.11565 0.00000  -0.00000 0.00000  84  VAL B HA   
2288 H  HB   . VAL B 64 ? 0.12956 0.12956 0.12956 0.00000  0.00000  -0.00000 84  VAL B HB   
2289 H  HG11 . VAL B 64 ? 0.14163 0.14163 0.14163 -0.00000 0.00000  0.00000  84  VAL B HG11 
2290 H  HG12 . VAL B 64 ? 0.14163 0.14163 0.14163 -0.00000 0.00000  0.00000  84  VAL B HG12 
2291 H  HG13 . VAL B 64 ? 0.14163 0.14163 0.14163 -0.00000 0.00000  0.00000  84  VAL B HG13 
2292 H  HG21 . VAL B 64 ? 0.13708 0.13708 0.13708 -0.00000 0.00000  -0.00000 84  VAL B HG21 
2293 H  HG22 . VAL B 64 ? 0.13708 0.13708 0.13708 -0.00000 0.00000  -0.00000 84  VAL B HG22 
2294 H  HG23 . VAL B 64 ? 0.13708 0.13708 0.13708 -0.00000 0.00000  -0.00000 84  VAL B HG23 
2295 N  N    . SER B 65 ? 0.12820 0.08811 0.09438 -0.00342 -0.00221 0.01865  85  SER B N    
2296 C  CA   . SER B 65 ? 0.13600 0.08180 0.10478 -0.00884 -0.00502 0.02027  85  SER B CA   
2297 C  C    . SER B 65 ? 0.12693 0.09221 0.09313 -0.01060 0.00389  0.01434  85  SER B C    
2298 O  O    . SER B 65 ? 0.12436 0.09321 0.09430 -0.01373 -0.00786 0.01495  85  SER B O    
2299 C  CB   . SER B 65 ? 0.14424 0.08970 0.13267 -0.01449 -0.00300 0.03376  85  SER B CB   
2300 O  OG   . SER B 65 ? 0.16677 0.10288 0.16750 -0.00682 -0.00627 0.04495  85  SER B OG   
2301 H  H    . SER B 65 ? 0.12441 0.12441 0.12441 -0.00000 0.00000  0.00000  85  SER B H    
2302 H  HA   . SER B 65 ? 0.12916 0.12916 0.12916 -0.00000 0.00000  0.00000  85  SER B HA   
2303 H  HB2  . SER B 65 ? 0.14678 0.14678 0.14678 -0.00000 -0.00000 -0.00000 85  SER B HB2  
2304 H  HB3  . SER B 65 ? 0.14678 0.14678 0.14678 -0.00000 -0.00000 -0.00000 85  SER B HB3  
2305 H  HG   . SER B 65 ? 0.17499 0.17499 0.17499 -0.00000 -0.00000 -0.00000 85  SER B HG   
2306 N  N    . LYS B 66 ? 0.11709 0.08613 0.08797 -0.00669 0.00030  0.01174  86  LYS B N    
2307 C  CA   . LYS B 66 ? 0.11165 0.08227 0.09452 -0.00544 0.00195  0.01700  86  LYS B CA   
2308 C  C    . LYS B 66 ? 0.11535 0.07509 0.08331 -0.00164 -0.00581 0.01436  86  LYS B C    
2309 O  O    . LYS B 66 ? 0.11437 0.08899 0.08629 -0.00194 -0.00288 0.01137  86  LYS B O    
2310 C  CB   . LYS B 66 ? 0.11706 0.08784 0.09585 -0.00334 0.00546  0.01237  86  LYS B CB   
2311 C  CG   . LYS B 66 ? 0.11920 0.10095 0.09757 -0.00070 0.01022  0.01790  86  LYS B CG   
2312 C  CD   . LYS B 66 ? 0.12772 0.12565 0.09518 -0.00043 0.01538  0.00746  86  LYS B CD   
2313 C  CE   . LYS B 66 ? 0.13871 0.14502 0.09845 0.00610  0.01828  0.00661  86  LYS B CE   
2314 N  NZ   . LYS B 66 ? 0.15048 0.17592 0.11619 0.00054  0.01959  -0.01711 86  LYS B NZ   
2315 H  H    . LYS B 66 ? 0.11661 0.11661 0.11661 0.00000  0.00000  0.00000  86  LYS B H    
2316 H  HA   . LYS B 66 ? 0.11550 0.11550 0.11550 -0.00000 0.00000  0.00000  86  LYS B HA   
2317 H  HB2  . LYS B 66 ? 0.12043 0.12043 0.12043 -0.00000 0.00000  0.00000  86  LYS B HB2  
2318 H  HB3  . LYS B 66 ? 0.12043 0.12043 0.12043 -0.00000 0.00000  0.00000  86  LYS B HB3  
2319 H  HG2  . LYS B 66 ? 0.12722 0.12722 0.12722 -0.00000 0.00000  0.00000  86  LYS B HG2  
2320 H  HG3  . LYS B 66 ? 0.12722 0.12722 0.12722 -0.00000 0.00000  0.00000  86  LYS B HG3  
2321 H  HD2  . LYS B 66 ? 0.13955 0.13955 0.13955 -0.00000 -0.00000 -0.00000 86  LYS B HD2  
2322 H  HD3  . LYS B 66 ? 0.13955 0.13955 0.13955 -0.00000 -0.00000 -0.00000 86  LYS B HD3  
2323 H  HE2  . LYS B 66 ? 0.15301 0.15301 0.15301 0.00000  0.00000  0.00000  86  LYS B HE2  
2324 H  HE3  . LYS B 66 ? 0.15301 0.15301 0.15301 0.00000  0.00000  0.00000  86  LYS B HE3  
2325 H  HZ1  . LYS B 66 ? 0.17717 0.17717 0.17717 0.00000  0.00000  0.00000  86  LYS B HZ1  
2326 H  HZ2  . LYS B 66 ? 0.17717 0.17717 0.17717 0.00000  0.00000  0.00000  86  LYS B HZ2  
2327 H  HZ3  . LYS B 66 ? 0.17717 0.17717 0.17717 0.00000  0.00000  0.00000  86  LYS B HZ3  
2328 N  N    . LEU B 67 ? 0.11001 0.08310 0.08086 -0.00057 -0.00093 0.01150  87  LEU B N    
2329 C  CA   . LEU B 67 ? 0.11167 0.07627 0.08215 -0.00420 -0.00365 0.01746  87  LEU B CA   
2330 C  C    . LEU B 67 ? 0.11638 0.08332 0.08226 -0.00723 -0.00098 0.01791  87  LEU B C    
2331 O  O    . LEU B 67 ? 0.12636 0.08925 0.08476 -0.00862 -0.00744 0.01902  87  LEU B O    
2332 C  CB   . LEU B 67 ? 0.11976 0.06956 0.08662 0.00279  -0.00025 0.00807  87  LEU B CB   
2333 C  CG   . LEU B 67 ? 0.12182 0.07516 0.08459 -0.00495 0.00407  0.00337  87  LEU B CG   
2334 C  CD1  . LEU B 67 ? 0.12074 0.08237 0.09220 -0.00344 -0.01054 -0.00152 87  LEU B CD1  
2335 C  CD2  . LEU B 67 ? 0.12389 0.07185 0.10761 -0.00787 0.00128  0.00469  87  LEU B CD2  
2336 H  H    . LEU B 67 ? 0.10972 0.10972 0.10972 -0.00000 0.00000  0.00000  87  LEU B H    
2337 H  HA   . LEU B 67 ? 0.10817 0.10817 0.10817 -0.00000 -0.00000 0.00000  87  LEU B HA   
2338 H  HB2  . LEU B 67 ? 0.11051 0.11051 0.11051 -0.00000 0.00000  0.00000  87  LEU B HB2  
2339 H  HB3  . LEU B 67 ? 0.11051 0.11051 0.11051 -0.00000 0.00000  0.00000  87  LEU B HB3  
2340 H  HG   . LEU B 67 ? 0.11276 0.11276 0.11276 0.00000  -0.00000 -0.00000 87  LEU B HG   
2341 H  HD11 . LEU B 67 ? 0.11826 0.11826 0.11826 0.00000  0.00000  0.00000  87  LEU B HD11 
2342 H  HD12 . LEU B 67 ? 0.11826 0.11826 0.11826 0.00000  0.00000  0.00000  87  LEU B HD12 
2343 H  HD13 . LEU B 67 ? 0.11826 0.11826 0.11826 0.00000  0.00000  0.00000  87  LEU B HD13 
2344 H  HD21 . LEU B 67 ? 0.12147 0.12147 0.12147 -0.00000 0.00000  0.00000  87  LEU B HD21 
2345 H  HD22 . LEU B 67 ? 0.12147 0.12147 0.12147 -0.00000 0.00000  0.00000  87  LEU B HD22 
2346 H  HD23 . LEU B 67 ? 0.12147 0.12147 0.12147 -0.00000 0.00000  0.00000  87  LEU B HD23 
2347 N  N    . HIS B 68 ? 0.12808 0.08004 0.08192 -0.00511 -0.00964 0.01583  88  HIS B N    
2348 C  CA   . HIS B 68 ? 0.13768 0.08088 0.09226 -0.01108 -0.00604 0.00409  88  HIS B CA   
2349 C  C    . HIS B 68 ? 0.14257 0.07889 0.09072 -0.01334 -0.01017 0.00448  88  HIS B C    
2350 O  O    . HIS B 68 ? 0.15119 0.09143 0.09587 -0.01110 -0.01657 0.00334  88  HIS B O    
2351 C  CB   . HIS B 68 ? 0.16223 0.07913 0.12685 -0.00533 -0.00531 0.00394  88  HIS B CB   
2352 C  CG   . HIS B 68 ? 0.24587 0.12380 0.17238 -0.01076 -0.01667 -0.00528 88  HIS B CG   
2353 N  ND1  . HIS B 68 ? 0.29812 0.15727 0.19955 -0.00416 -0.01338 -0.03433 88  HIS B ND1  
2354 C  CD2  . HIS B 68 ? 0.29003 0.16593 0.21419 -0.02814 -0.01904 -0.01511 88  HIS B CD2  
2355 C  CE1  . HIS B 68 ? 0.31945 0.17591 0.21972 -0.02248 -0.01512 -0.03036 88  HIS B CE1  
2356 N  NE2  . HIS B 68 ? 0.30887 0.17184 0.22093 -0.04129 -0.03278 -0.03773 88  HIS B NE2  
2357 H  H    . HIS B 68 ? 0.11615 0.11615 0.11615 -0.00000 0.00000  -0.00000 88  HIS B H    
2358 H  HA   . HIS B 68 ? 0.12446 0.12446 0.12446 0.00000  -0.00000 -0.00000 88  HIS B HA   
2359 H  HB2  . HIS B 68 ? 0.14741 0.14741 0.14741 -0.00000 -0.00000 -0.00000 88  HIS B HB2  
2360 H  HB3  . HIS B 68 ? 0.14741 0.14741 0.14741 -0.00000 -0.00000 -0.00000 88  HIS B HB3  
2361 H  HD1  . HIS B 68 ? 0.26210 0.26210 0.26210 -0.00000 0.00000  0.00000  88  HIS B HD1  
2362 H  HD2  . HIS B 68 ? 0.26819 0.26819 0.26819 0.00000  0.00000  0.00000  88  HIS B HD2  
2363 H  HE1  . HIS B 68 ? 0.28616 0.28616 0.28616 -0.00000 0.00000  -0.00000 88  HIS B HE1  
2364 N  N    . ALA B 69 ? 0.12517 0.09349 0.09997 -0.01834 -0.01411 0.00957  89  ALA B N    
2365 C  CA   . ALA B 69 ? 0.12685 0.11276 0.11064 -0.01924 -0.01955 0.00939  89  ALA B CA   
2366 C  C    . ALA B 69 ? 0.12695 0.11704 0.10789 -0.00812 -0.02015 0.01822  89  ALA B C    
2367 O  O    . ALA B 69 ? 0.14295 0.14565 0.13526 -0.01658 -0.03962 0.03246  89  ALA B O    
2368 C  CB   . ALA B 69 ? 0.13007 0.12622 0.12405 -0.02273 -0.00848 0.01930  89  ALA B CB   
2369 H  H    . ALA B 69 ? 0.12759 0.12759 0.12759 0.00000  0.00000  0.00000  89  ALA B H    
2370 H  HA   . ALA B 69 ? 0.14023 0.14023 0.14023 -0.00000 -0.00000 0.00000  89  ALA B HA   
2371 H  HB1  . ALA B 69 ? 0.15227 0.15227 0.15227 0.00000  0.00000  -0.00000 89  ALA B HB1  
2372 H  HB2  . ALA B 69 ? 0.15227 0.15227 0.15227 0.00000  0.00000  -0.00000 89  ALA B HB2  
2373 H  HB3  . ALA B 69 ? 0.15227 0.15227 0.15227 0.00000  0.00000  -0.00000 89  ALA B HB3  
2374 N  N    . ALA B 70 ? 0.12051 0.10272 0.10017 -0.00871 -0.01802 0.01331  90  ALA B N    
2375 C  CA   . ALA B 70 ? 0.12408 0.09437 0.10999 0.00028  -0.01489 0.01799  90  ALA B CA   
2376 C  C    . ALA B 70 ? 0.13859 0.09718 0.10765 -0.00246 -0.01011 0.02942  90  ALA B C    
2377 O  O    . ALA B 70 ? 0.18755 0.11438 0.12317 -0.00130 0.00389  0.02868  90  ALA B O    
2378 C  CB   . ALA B 70 ? 0.13911 0.08766 0.11986 0.00720  -0.01138 0.01298  90  ALA B CB   
2379 H  H    . ALA B 70 ? 0.12949 0.12949 0.12949 -0.00000 0.00000  0.00000  90  ALA B H    
2380 H  HA   . ALA B 70 ? 0.13151 0.13151 0.13151 -0.00000 0.00000  -0.00000 90  ALA B HA   
2381 H  HB1  . ALA B 70 ? 0.13878 0.13878 0.13878 -0.00000 0.00000  0.00000  90  ALA B HB1  
2382 H  HB2  . ALA B 70 ? 0.13878 0.13878 0.13878 -0.00000 0.00000  0.00000  90  ALA B HB2  
2383 H  HB3  . ALA B 70 ? 0.13878 0.13878 0.13878 -0.00000 0.00000  0.00000  90  ALA B HB3  
2384 N  N    . GLY B 71 ? 0.13292 0.10714 0.09340 -0.00666 -0.01446 0.01785  91  GLY B N    
2385 C  CA   . GLY B 71 ? 0.14371 0.11743 0.09221 -0.00454 -0.01278 0.00942  91  GLY B CA   
2386 C  C    . GLY B 71 ? 0.14777 0.11591 0.08831 -0.00208 -0.00304 -0.00050 91  GLY B C    
2387 O  O    . GLY B 71 ? 0.17293 0.17421 0.08947 -0.01144 0.00128  -0.01097 91  GLY B O    
2388 H  H    . GLY B 71 ? 0.13351 0.13351 0.13351 -0.00000 -0.00000 -0.00000 91  GLY B H    
2389 H  HA2  . GLY B 71 ? 0.14147 0.14147 0.14147 -0.00000 0.00000  0.00000  91  GLY B HA2  
2390 H  HA3  . GLY B 71 ? 0.14147 0.14147 0.14147 -0.00000 0.00000  0.00000  91  GLY B HA3  
2391 N  N    . LEU B 72 ? 0.13071 0.08799 0.08893 0.00120  0.00080  0.00595  92  LEU B N    
2392 C  CA   . LEU B 72 ? 0.13425 0.08255 0.08521 0.00442  0.00697  0.00158  92  LEU B CA   
2393 C  C    . LEU B 72 ? 0.13977 0.08273 0.09508 0.00477  0.01478  0.00506  92  LEU B C    
2394 O  O    . LEU B 72 ? 0.15036 0.10008 0.17791 0.01579  0.04331  0.03639  92  LEU B O    
2395 C  CB   . LEU B 72 ? 0.12447 0.07867 0.08399 0.01210  0.00732  0.01112  92  LEU B CB   
2396 C  CG   . LEU B 72 ? 0.16312 0.09030 0.10910 0.01867  -0.01244 0.00525  92  LEU B CG   
2397 C  CD1  . LEU B 72 ? 0.18738 0.08026 0.10502 0.01139  0.00338  0.00312  92  LEU B CD1  
2398 C  CD2  . LEU B 72 ? 0.17125 0.11211 0.10958 0.01328  -0.00162 0.01158  92  LEU B CD2  
2399 H  H    . LEU B 72 ? 0.12319 0.12319 0.12319 -0.00000 -0.00000 0.00000  92  LEU B H    
2400 H  HA   . LEU B 72 ? 0.12094 0.12094 0.12094 0.00000  0.00000  0.00000  92  LEU B HA   
2401 H  HB2  . LEU B 72 ? 0.11498 0.11498 0.11498 0.00000  -0.00000 -0.00000 92  LEU B HB2  
2402 H  HB3  . LEU B 72 ? 0.11498 0.11498 0.11498 0.00000  -0.00000 -0.00000 92  LEU B HB3  
2403 H  HG   . LEU B 72 ? 0.14514 0.14514 0.14514 -0.00000 0.00000  -0.00000 92  LEU B HG   
2404 H  HD11 . LEU B 72 ? 0.14920 0.14920 0.14920 -0.00000 -0.00000 0.00000  92  LEU B HD11 
2405 H  HD12 . LEU B 72 ? 0.14920 0.14920 0.14920 -0.00000 -0.00000 0.00000  92  LEU B HD12 
2406 H  HD13 . LEU B 72 ? 0.14920 0.14920 0.14920 -0.00000 -0.00000 0.00000  92  LEU B HD13 
2407 H  HD21 . LEU B 72 ? 0.15731 0.15731 0.15731 0.00000  0.00000  0.00000  92  LEU B HD21 
2408 H  HD22 . LEU B 72 ? 0.15731 0.15731 0.15731 0.00000  0.00000  0.00000  92  LEU B HD22 
2409 H  HD23 . LEU B 72 ? 0.15731 0.15731 0.15731 0.00000  0.00000  0.00000  92  LEU B HD23 
2410 N  N    . TRP B 73 ? 0.13620 0.07169 0.08168 0.00934  0.00371  -0.00458 93  TRP B N    
2411 C  CA   . TRP B 73 ? 0.14314 0.06557 0.08272 0.00685  0.00069  -0.00881 93  TRP B CA   
2412 C  C    . TRP B 73 ? 0.14382 0.07302 0.08667 -0.00383 0.00299  -0.01286 93  TRP B C    
2413 O  O    . TRP B 73 ? 0.16826 0.12078 0.09314 -0.02902 -0.00483 0.00127  93  TRP B O    
2414 C  CB   . TRP B 73 ? 0.15649 0.07915 0.08890 0.01248  0.00830  -0.01256 93  TRP B CB   
2415 C  CG   . TRP B 73 ? 0.16734 0.07094 0.09433 0.00254  0.01164  -0.01190 93  TRP B CG   
2416 C  CD1  . TRP B 73 ? 0.17804 0.10417 0.08992 -0.01880 0.00974  -0.01168 93  TRP B CD1  
2417 C  CD2  . TRP B 73 ? 0.16608 0.06515 0.08486 0.01543  0.01290  -0.00798 93  TRP B CD2  
2418 N  NE1  . TRP B 73 ? 0.18164 0.10610 0.09243 -0.01716 -0.00471 -0.01600 93  TRP B NE1  
2419 C  CE2  . TRP B 73 ? 0.17894 0.06891 0.08893 0.00512  0.00570  -0.00890 93  TRP B CE2  
2420 C  CE3  . TRP B 73 ? 0.16410 0.08313 0.10766 0.03204  0.01280  -0.00566 93  TRP B CE3  
2421 C  CZ2  . TRP B 73 ? 0.19908 0.07988 0.09636 0.00898  0.00341  -0.00959 93  TRP B CZ2  
2422 C  CZ3  . TRP B 73 ? 0.18086 0.09515 0.10740 0.03803  0.02468  0.00004  93  TRP B CZ3  
2423 C  CH2  . TRP B 73 ? 0.19624 0.08913 0.09483 0.02640  0.03010  -0.00414 93  TRP B CH2  
2424 H  H    . TRP B 73 ? 0.11596 0.11596 0.11596 0.00000  0.00000  -0.00000 93  TRP B H    
2425 H  HA   . TRP B 73 ? 0.11670 0.11670 0.11670 -0.00000 0.00000  0.00000  93  TRP B HA   
2426 H  HB2  . TRP B 73 ? 0.12995 0.12995 0.12995 -0.00000 0.00000  0.00000  93  TRP B HB2  
2427 H  HB3  . TRP B 73 ? 0.12995 0.12995 0.12995 -0.00000 0.00000  0.00000  93  TRP B HB3  
2428 H  HD1  . TRP B 73 ? 0.14899 0.14899 0.14899 -0.00000 -0.00000 0.00000  93  TRP B HD1  
2429 H  HE1  . TRP B 73 ? 0.15220 0.15220 0.15220 -0.00000 -0.00000 0.00000  93  TRP B HE1  
2430 H  HE3  . TRP B 73 ? 0.14209 0.14209 0.14209 -0.00000 -0.00000 -0.00000 93  TRP B HE3  
2431 H  HZ2  . TRP B 73 ? 0.15026 0.15026 0.15026 -0.00000 0.00000  0.00000  93  TRP B HZ2  
2432 H  HZ3  . TRP B 73 ? 0.15350 0.15350 0.15350 -0.00000 -0.00000 0.00000  93  TRP B HZ3  
2433 H  HH2  . TRP B 73 ? 0.15221 0.15221 0.15221 0.00000  -0.00000 -0.00000 93  TRP B HH2  
2434 N  N    . ALA B 74 ? 0.15849 0.07433 0.08656 -0.00764 -0.00537 -0.00285 94  ALA B N    
2435 C  CA   . ALA B 74 ? 0.18180 0.06792 0.08195 0.00150  -0.00877 -0.00434 94  ALA B CA   
2436 C  C    . ALA B 74 ? 0.19653 0.06044 0.08470 -0.00148 -0.01365 -0.01240 94  ALA B C    
2437 O  O    . ALA B 74 ? 0.22090 0.06268 0.10253 -0.00609 -0.01727 -0.00782 94  ALA B O    
2438 C  CB   . ALA B 74 ? 0.19169 0.08440 0.09518 0.01738  -0.01153 -0.01587 94  ALA B CB   
2439 H  H    . ALA B 74 ? 0.12788 0.12788 0.12788 0.00000  -0.00000 -0.00000 94  ALA B H    
2440 H  HA   . ALA B 74 ? 0.13280 0.13280 0.13280 0.00000  0.00000  0.00000  94  ALA B HA   
2441 H  HB1  . ALA B 74 ? 0.14864 0.14864 0.14864 0.00000  0.00000  0.00000  94  ALA B HB1  
2442 H  HB2  . ALA B 74 ? 0.14864 0.14864 0.14864 0.00000  0.00000  0.00000  94  ALA B HB2  
2443 H  HB3  . ALA B 74 ? 0.14864 0.14864 0.14864 0.00000  0.00000  0.00000  94  ALA B HB3  
2444 N  N    . THR B 75 ? 0.20274 0.06369 0.09133 0.01439  -0.02052 -0.00277 95  THR B N    
2445 C  CA   . THR B 75 ? 0.23007 0.07241 0.09529 0.03795  -0.01660 -0.00747 95  THR B CA   
2446 C  C    . THR B 75 ? 0.21448 0.06745 0.09691 0.02604  -0.01654 -0.00577 95  THR B C    
2447 O  O    . THR B 75 ? 0.20276 0.06308 0.09498 0.01734  -0.01929 -0.00167 95  THR B O    
2448 C  CB   . THR B 75 ? 0.26341 0.10623 0.11893 0.06847  -0.01524 -0.02080 95  THR B CB   
2449 O  OG1  . THR B 75 ? 0.24860 0.15015 0.11598 0.07806  -0.01430 -0.00930 95  THR B OG1  
2450 C  CG2  . THR B 75 ? 0.29222 0.13927 0.12156 0.05979  -0.01760 -0.03675 95  THR B CG2  
2451 H  H    . THR B 75 ? 0.14324 0.14324 0.14324 -0.00000 -0.00000 0.00000  95  THR B H    
2452 H  HA   . THR B 75 ? 0.15924 0.15924 0.15924 0.00000  -0.00000 -0.00000 95  THR B HA   
2453 H  HB   . THR B 75 ? 0.19556 0.19556 0.19556 -0.00000 -0.00000 -0.00000 95  THR B HB   
2454 H  HG1  . THR B 75 ? 0.20602 0.20602 0.20602 -0.00000 -0.00000 -0.00000 95  THR B HG1  
2455 H  HG21 . THR B 75 ? 0.22136 0.22136 0.22136 0.00000  0.00000  0.00000  95  THR B HG21 
2456 H  HG22 . THR B 75 ? 0.22136 0.22136 0.22136 0.00000  0.00000  0.00000  95  THR B HG22 
2457 H  HG23 . THR B 75 ? 0.22136 0.22136 0.22136 0.00000  0.00000  0.00000  95  THR B HG23 
2458 N  N    . MET B 76 ? 0.22877 0.07137 0.09885 0.03445  -0.02655 -0.00947 96  MET B N    
2459 C  CA   A MET B 76 ? 0.22005 0.07924 0.10221 0.04567  -0.02936 -0.01123 96  MET B CA   
2460 C  CA   B MET B 76 ? 0.22572 0.09456 0.11336 0.04396  -0.02629 -0.01143 96  MET B CA   
2461 C  C    . MET B 76 ? 0.22605 0.10092 0.12451 0.05820  -0.02157 -0.01350 96  MET B C    
2462 O  O    . MET B 76 ? 0.23984 0.11015 0.14277 0.05997  -0.01384 -0.02193 96  MET B O    
2463 C  CB   A MET B 76 ? 0.20421 0.09599 0.11574 0.05338  -0.02608 -0.00721 96  MET B CB   
2464 C  CB   B MET B 76 ? 0.22265 0.12054 0.12881 0.04454  -0.02374 -0.00806 96  MET B CB   
2465 C  CG   A MET B 76 ? 0.19306 0.11369 0.13338 0.03598  -0.00644 -0.00687 96  MET B CG   
2466 C  CG   B MET B 76 ? 0.22056 0.14695 0.14504 0.03993  -0.01584 -0.00370 96  MET B CG   
2467 S  SD   A MET B 76 ? 0.17625 0.13336 0.14593 0.03918  0.00756  0.01789  96  MET B SD   
2468 S  SD   B MET B 76 ? 0.21352 0.16801 0.15990 0.04978  -0.01033 0.01051  96  MET B SD   
2469 C  CE   A MET B 76 ? 0.19778 0.14909 0.15855 0.02920  0.00451  0.02707  96  MET B CE   
2470 C  CE   B MET B 76 ? 0.21434 0.16555 0.15829 0.04365  -0.01401 0.01880  96  MET B CE   
2471 H  H    . MET B 76 ? 0.15973 0.15973 0.15973 0.00000  0.00000  0.00000  96  MET B H    
2472 H  HA   . MET B 76 ? 0.17359 0.17359 0.17359 0.00000  -0.00000 0.00000  96  MET B HA   
2473 H  HB2  A MET B 76 ? 0.16651 0.16651 0.16651 -0.00000 -0.00000 0.00000  96  MET B HB2  
2474 H  HB2  B MET B 76 ? 0.18893 0.18893 0.18893 0.00000  -0.00000 0.00000  96  MET B HB2  
2475 H  HB3  A MET B 76 ? 0.16651 0.16651 0.16651 -0.00000 -0.00000 0.00000  96  MET B HB3  
2476 H  HB3  B MET B 76 ? 0.18893 0.18893 0.18893 0.00000  -0.00000 0.00000  96  MET B HB3  
2477 H  HG2  A MET B 76 ? 0.17618 0.17618 0.17618 0.00000  0.00000  0.00000  96  MET B HG2  
2478 H  HG2  B MET B 76 ? 0.20515 0.20515 0.20515 0.00000  -0.00000 0.00000  96  MET B HG2  
2479 H  HG3  A MET B 76 ? 0.17618 0.17618 0.17618 0.00000  0.00000  0.00000  96  MET B HG3  
2480 H  HG3  B MET B 76 ? 0.20515 0.20515 0.20515 0.00000  -0.00000 0.00000  96  MET B HG3  
2481 H  HE1  A MET B 76 ? 0.20230 0.20230 0.20230 0.00000  0.00000  0.00000  96  MET B HE1  
2482 H  HE1  B MET B 76 ? 0.21540 0.21540 0.21540 0.00000  0.00000  0.00000  96  MET B HE1  
2483 H  HE2  A MET B 76 ? 0.20230 0.20230 0.20230 0.00000  0.00000  0.00000  96  MET B HE2  
2484 H  HE2  B MET B 76 ? 0.21540 0.21540 0.21540 0.00000  0.00000  0.00000  96  MET B HE2  
2485 H  HE3  A MET B 76 ? 0.20230 0.20230 0.20230 0.00000  0.00000  0.00000  96  MET B HE3  
2486 H  HE3  B MET B 76 ? 0.21540 0.21540 0.21540 0.00000  0.00000  0.00000  96  MET B HE3  
2487 N  N    . GLN B 77 ? 0.21596 0.13365 0.14061 0.07468  -0.03946 -0.01951 97  GLN B N    
2488 C  CA   . GLN B 77 ? 0.23521 0.15746 0.16349 0.08784  -0.03756 -0.02776 97  GLN B CA   
2489 C  C    . GLN B 77 ? 0.22369 0.13777 0.15427 0.06420  -0.04376 -0.02208 97  GLN B C    
2490 O  O    . GLN B 77 ? 0.21731 0.11827 0.14536 0.05359  -0.02861 -0.00154 97  GLN B O    
2491 C  CB   . GLN B 77 ? 0.27902 0.21320 0.19677 0.09259  -0.03735 -0.03789 97  GLN B CB   
2492 C  CG   . GLN B 77 ? 0.31849 0.25551 0.22434 0.10164  -0.02694 -0.05121 97  GLN B CG   
2493 C  CD   . GLN B 77 ? 0.36514 0.30343 0.25480 0.08999  -0.01954 -0.05716 97  GLN B CD   
2494 O  OE1  . GLN B 77 ? 0.38408 0.31588 0.26643 0.08910  -0.01488 -0.06310 97  GLN B OE1  
2495 N  NE2  . GLN B 77 ? 0.38176 0.33149 0.27425 0.07524  -0.01725 -0.05007 97  GLN B NE2  
2496 H  H    . GLN B 77 ? 0.19622 0.19622 0.19622 -0.00000 0.00000  0.00000  97  GLN B H    
2497 H  HA   . GLN B 77 ? 0.22260 0.22260 0.22260 0.00000  -0.00000 0.00000  97  GLN B HA   
2498 H  HB2  . GLN B 77 ? 0.27573 0.27573 0.27573 -0.00000 -0.00000 -0.00000 97  GLN B HB2  
2499 H  HB3  . GLN B 77 ? 0.27573 0.27573 0.27573 -0.00000 -0.00000 -0.00000 97  GLN B HB3  
2500 H  HG2  . GLN B 77 ? 0.31947 0.31947 0.31947 0.00000  -0.00000 -0.00000 97  GLN B HG2  
2501 H  HG3  . GLN B 77 ? 0.31947 0.31947 0.31947 0.00000  -0.00000 -0.00000 97  GLN B HG3  
2502 H  HE21 . GLN B 77 ? 0.39513 0.39513 0.39513 -0.00000 0.00000  0.00000  97  GLN B HE21 
2503 H  HE22 . GLN B 77 ? 0.39513 0.39513 0.39513 -0.00000 0.00000  0.00000  97  GLN B HE22 
2504 N  N    . GLN B 78 ? 0.22778 0.12675 0.16815 0.05165  -0.05750 -0.01780 98  GLN B N    
2505 C  CA   A GLN B 78 ? 0.23456 0.14113 0.17827 0.04327  -0.04022 -0.01075 98  GLN B CA   
2506 C  CA   B GLN B 78 ? 0.23688 0.13147 0.17540 0.02985  -0.05502 -0.00884 98  GLN B CA   
2507 C  C    . GLN B 78 ? 0.23179 0.12452 0.18361 0.03301  -0.01410 -0.01708 98  GLN B C    
2508 O  O    . GLN B 78 ? 0.26113 0.13964 0.19216 0.03090  0.01896  -0.02478 98  GLN B O    
2509 C  CB   A GLN B 78 ? 0.24982 0.17668 0.19111 0.05051  -0.03503 0.00217  98  GLN B CB   
2510 C  CB   B GLN B 78 ? 0.26318 0.15582 0.19072 0.01539  -0.06705 0.01257  98  GLN B CB   
2511 C  CG   A GLN B 78 ? 0.26938 0.21844 0.20684 0.05542  -0.02125 0.00591  98  GLN B CG   
2512 C  CG   B GLN B 78 ? 0.29714 0.19582 0.21263 0.00396  -0.06251 0.01976  98  GLN B CG   
2513 C  CD   A GLN B 78 ? 0.29372 0.24716 0.22559 0.06226  -0.00305 0.01051  98  GLN B CD   
2514 C  CD   B GLN B 78 ? 0.32505 0.22265 0.23895 0.01080  -0.05185 0.02771  98  GLN B CD   
2515 O  OE1  A GLN B 78 ? 0.30445 0.25399 0.23911 0.06870  0.00416  0.01770  98  GLN B OE1  
2516 O  OE1  B GLN B 78 ? 0.33743 0.23285 0.25627 0.01739  -0.04409 0.03488  98  GLN B OE1  
2517 N  NE2  A GLN B 78 ? 0.30099 0.25960 0.22963 0.05841  0.00148  0.01020  98  GLN B NE2  
2518 N  NE2  B GLN B 78 ? 0.33639 0.22797 0.25370 0.01737  -0.04431 0.02841  98  GLN B NE2  
2519 H  H    . GLN B 78 ? 0.20920 0.20920 0.20920 0.00000  0.00000  0.00000  98  GLN B H    
2520 H  HA   . GLN B 78 ? 0.21763 0.21763 0.21763 -0.00000 0.00000  0.00000  98  GLN B HA   
2521 H  HB2  A GLN B 78 ? 0.24718 0.24718 0.24718 -0.00000 0.00000  0.00000  98  GLN B HB2  
2522 H  HB2  B GLN B 78 ? 0.24402 0.24402 0.24402 0.00000  0.00000  0.00000  98  GLN B HB2  
2523 H  HB3  A GLN B 78 ? 0.24718 0.24718 0.24718 -0.00000 0.00000  0.00000  98  GLN B HB3  
2524 H  HB3  B GLN B 78 ? 0.24402 0.24402 0.24402 0.00000  0.00000  0.00000  98  GLN B HB3  
2525 H  HG2  A GLN B 78 ? 0.27800 0.27800 0.27800 0.00000  -0.00000 -0.00000 98  GLN B HG2  
2526 H  HG2  B GLN B 78 ? 0.28237 0.28237 0.28237 -0.00000 0.00000  0.00000  98  GLN B HG2  
2527 H  HG3  A GLN B 78 ? 0.27800 0.27800 0.27800 0.00000  -0.00000 -0.00000 98  GLN B HG3  
2528 H  HG3  B GLN B 78 ? 0.28237 0.28237 0.28237 -0.00000 0.00000  0.00000  98  GLN B HG3  
2529 H  HE21 A GLN B 78 ? 0.31622 0.31622 0.31622 -0.00000 0.00000  0.00000  98  GLN B HE21 
2530 H  HE21 B GLN B 78 ? 0.32735 0.32735 0.32735 0.00000  -0.00000 0.00000  98  GLN B HE21 
2531 H  HE22 A GLN B 78 ? 0.31622 0.31622 0.31622 -0.00000 0.00000  0.00000  98  GLN B HE22 
2532 H  HE22 B GLN B 78 ? 0.32735 0.32735 0.32735 0.00000  -0.00000 0.00000  98  GLN B HE22 
2533 N  N    . ASP B 79 ? 0.20000 0.13324 0.21781 0.01546  0.00476  -0.02248 99  ASP B N    
2534 C  CA   . ASP B 79 ? 0.19318 0.18259 0.30872 0.01148  0.01535  -0.04531 99  ASP B CA   
2535 C  C    . ASP B 79 ? 0.22214 0.29332 0.40146 0.00451  0.00527  -0.05050 99  ASP B C    
2536 O  O    . ASP B 79 ? 0.20267 0.31099 0.40119 0.00499  -0.01179 -0.05022 99  ASP B O    
2537 C  CB   . ASP B 79 ? 0.19721 0.16090 0.32551 -0.00456 0.03612  -0.05249 99  ASP B CB   
2538 C  CG   . ASP B 79 ? 0.21684 0.15103 0.34495 -0.01343 0.05054  -0.05886 99  ASP B CG   
2539 O  OD1  . ASP B 79 ? 0.22779 0.16699 0.34516 -0.03030 0.06195  -0.05865 99  ASP B OD1  
2540 O  OD2  . ASP B 79 ? 0.24138 0.15061 0.36406 -0.00772 0.05354  -0.04671 99  ASP B OD2  
2541 H  H    . ASP B 79 ? 0.22055 0.22055 0.22055 0.00000  0.00000  0.00000  99  ASP B H    
2542 H  HA   . ASP B 79 ? 0.27393 0.27393 0.27393 -0.00000 0.00000  0.00000  99  ASP B HA   
2543 H  HB2  . ASP B 79 ? 0.27358 0.27358 0.27358 0.00000  0.00000  -0.00000 99  ASP B HB2  
2544 H  HB3  . ASP B 79 ? 0.27358 0.27358 0.27358 0.00000  0.00000  -0.00000 99  ASP B HB3  
2545 N  N    . ARG B 80 ? 0.27912 0.38498 0.49220 0.00459  0.01324  -0.05331 100 ARG B N    
2546 C  CA   . ARG B 80 ? 0.35154 0.47231 0.57239 0.00528  0.02296  -0.05961 100 ARG B CA   
2547 C  C    . ARG B 80 ? 0.38085 0.52058 0.59266 0.00991  0.00191  -0.04181 100 ARG B C    
2548 O  O    . ARG B 80 ? 0.39156 0.53825 0.59970 0.01341  -0.00703 -0.03346 100 ARG B O    
2549 C  CB   . ARG B 80 ? 0.38621 0.49584 0.62219 0.00217  0.05597  -0.08551 100 ARG B CB   
2550 C  CG   . ARG B 80 ? 0.41005 0.51144 0.66477 0.00346  0.08784  -0.10710 100 ARG B CG   
2551 C  CD   . ARG B 80 ? 0.42446 0.52033 0.69808 0.00725  0.11819  -0.12457 100 ARG B CD   
2552 N  NE   . ARG B 80 ? 0.42924 0.52318 0.72213 0.01488  0.14519  -0.13893 100 ARG B NE   
2553 C  CZ   . ARG B 80 ? 0.43003 0.52510 0.73986 0.02123  0.16242  -0.14800 100 ARG B CZ   
2554 N  NH1  . ARG B 80 ? 0.42669 0.52710 0.74708 0.02337  0.16978  -0.14819 100 ARG B NH1  
2555 N  NH2  . ARG B 80 ? 0.43222 0.52442 0.74472 0.02251  0.16640  -0.15304 100 ARG B NH2  
2556 O  OXT  . ARG B 80 ? 0.38708 0.53658 0.59838 0.01130  -0.00445 -0.03547 100 ARG B OXT  
2557 H  H    . ARG B 80 ? 0.46265 0.46265 0.46265 0.00000  0.00000  0.00000  100 ARG B H    
2558 H  HA   . ARG B 80 ? 0.55863 0.55863 0.55863 -0.00000 0.00000  0.00000  100 ARG B HA   
2559 H  HB2  . ARG B 80 ? 0.60183 0.60183 0.60183 -0.00000 0.00000  0.00000  100 ARG B HB2  
2560 H  HB3  . ARG B 80 ? 0.60183 0.60183 0.60183 -0.00000 0.00000  0.00000  100 ARG B HB3  
2561 H  HG2  . ARG B 80 ? 0.63464 0.63464 0.63464 0.00000  0.00000  0.00000  100 ARG B HG2  
2562 H  HG3  . ARG B 80 ? 0.63464 0.63464 0.63464 0.00000  0.00000  0.00000  100 ARG B HG3  
2563 H  HD2  . ARG B 80 ? 0.65728 0.65728 0.65728 0.00000  0.00000  0.00000  100 ARG B HD2  
2564 H  HD3  . ARG B 80 ? 0.65728 0.65728 0.65728 0.00000  0.00000  0.00000  100 ARG B HD3  
2565 H  HE   . ARG B 80 ? 0.66995 0.66995 0.66995 0.00000  0.00000  -0.00000 100 ARG B HE   
2566 H  HH11 . ARG B 80 ? 0.68048 0.68048 0.68048 0.00000  -0.00000 0.00000  100 ARG B HH11 
2567 H  HH12 . ARG B 80 ? 0.68048 0.68048 0.68048 0.00000  -0.00000 0.00000  100 ARG B HH12 
2568 H  HH21 . ARG B 80 ? 0.68068 0.68068 0.68068 -0.00000 -0.00000 0.00000  100 ARG B HH21 
2569 H  HH22 . ARG B 80 ? 0.68068 0.68068 0.68068 -0.00000 -0.00000 0.00000  100 ARG B HH22 
2570 NI NI   . NI  C .  ? 0.19020 0.13739 0.25270 -0.03548 0.04629  -0.02273 201 NI  A NI   
2571 NI NI   A NI  D .  ? 0.31603 0.26235 0.20054 0.02354  0.10694  0.06392  202 NI  A NI   
2572 NI NI   B NI  D .  ? 0.17433 0.14697 0.13071 -0.00477 -0.01249 -0.01662 202 NI  A NI   
2573 MG MG   . MG  E .  ? 0.20202 0.17138 0.20473 -0.00144 0.02032  0.01863  203 MG  A MG   
2574 NI NI   . NI  F .  ? 0.13167 0.09720 0.12344 0.01729  0.01034  0.03792  201 NI  B NI   
2575 NI NI   . NI  G .  ? 0.82561 0.71535 0.46466 -0.13715 0.16966  0.25223  202 NI  B NI   
2576 MG MG   . MG  H .  ? 0.26856 0.20545 0.18622 0.01211  -0.00365 0.01603  203 MG  B MG   
2577 O  O    . HOH I .  ? 0.24291 0.18714 0.30187 -0.01059 0.01499  0.06987  301 HOH A O    
2578 O  O    . HOH I .  ? 0.79782 0.67640 0.57397 0.26410  0.13798  -0.02997 302 HOH A O    
2579 O  O    . HOH I .  ? 0.32781 1.06673 0.58395 -0.10610 -0.07057 -0.12102 303 HOH A O    
2580 O  O    . HOH I .  ? 0.64574 1.06277 0.54721 -0.02695 0.19989  0.09783  304 HOH A O    
2581 O  O    . HOH I .  ? 0.48529 0.27760 0.26175 0.19349  0.10927  0.07170  305 HOH A O    
2582 O  O    . HOH I .  ? 0.31578 0.22779 0.22909 -0.02818 -0.03465 0.11312  306 HOH A O    
2583 O  O    . HOH I .  ? 0.38319 0.23318 0.59393 -0.00727 0.20916  -0.10285 307 HOH A O    
2584 O  O    . HOH I .  ? 0.88266 0.72399 0.96993 -0.08557 0.43757  -0.04425 308 HOH A O    
2585 O  O    . HOH I .  ? 0.45282 0.75242 0.78469 0.12475  0.29208  0.04327  309 HOH A O    
2586 O  O    . HOH I .  ? 0.66511 0.58329 0.31539 -0.16151 -0.20848 0.07618  310 HOH A O    
2587 O  O    . HOH I .  ? 0.30650 0.24123 0.42080 -0.06045 0.15058  -0.04431 311 HOH A O    
2588 O  O    . HOH I .  ? 0.97160 0.66265 0.52196 0.21680  0.29751  0.23536  312 HOH A O    
2589 O  O    . HOH I .  ? 0.50112 0.21886 0.40494 0.02201  0.16592  0.10718  313 HOH A O    
2590 O  O    . HOH I .  ? 0.25093 0.76823 0.72392 0.13244  0.07364  -0.01539 314 HOH A O    
2591 O  O    . HOH I .  ? 0.47708 0.62669 0.33376 0.03006  -0.22767 0.04189  315 HOH A O    
2592 O  O    . HOH I .  ? 0.24391 0.28513 0.22238 -0.01579 0.04169  -0.02949 316 HOH A O    
2593 O  O    . HOH I .  ? 0.38535 0.99162 0.40442 0.09222  0.08572  0.18528  317 HOH A O    
2594 O  O    . HOH I .  ? 0.25504 0.22192 0.17863 -0.04411 -0.06373 0.07492  318 HOH A O    
2595 O  O    . HOH I .  ? 0.42281 0.31919 0.31734 0.03254  -0.09548 0.16221  319 HOH A O    
2596 O  O    . HOH I .  ? 0.46380 0.31548 0.47622 -0.15867 0.23839  -0.17289 320 HOH A O    
2597 O  O    . HOH I .  ? 0.24274 0.27697 0.28669 0.12780  -0.07285 -0.06178 321 HOH A O    
2598 O  O    . HOH I .  ? 0.24491 0.34108 0.30341 -0.07690 0.04298  0.01354  322 HOH A O    
2599 O  O    . HOH I .  ? 0.41895 0.64052 0.56333 0.22712  0.04299  -0.09834 323 HOH A O    
2600 O  O    . HOH I .  ? 0.41760 0.39780 0.51844 0.03411  0.09280  0.25903  324 HOH A O    
2601 O  O    . HOH I .  ? 0.56587 0.24651 0.32013 -0.10510 0.17836  0.01160  325 HOH A O    
2602 O  O    . HOH I .  ? 0.14838 0.14466 0.09720 0.02625  -0.02138 -0.04620 326 HOH A O    
2603 O  O    . HOH I .  ? 0.19839 0.24575 0.50342 -0.02832 -0.08701 0.13765  327 HOH A O    
2604 O  O    . HOH I .  ? 0.67349 0.38244 0.81310 -0.20894 -0.26676 0.11807  328 HOH A O    
2605 O  O    . HOH I .  ? 0.22810 0.23283 0.26515 -0.03723 -0.04764 0.06803  329 HOH A O    
2606 O  O    . HOH I .  ? 0.40155 0.54513 0.23574 0.06433  0.10813  -0.10317 330 HOH A O    
2607 O  O    . HOH I .  ? 0.51757 0.73225 0.51995 -0.17496 -0.08031 0.34017  331 HOH A O    
2608 O  O    . HOH I .  ? 0.22602 0.25792 0.20730 -0.03884 -0.01225 -0.03356 332 HOH A O    
2609 O  O    . HOH I .  ? 0.63236 0.31850 0.53303 -0.01762 0.09813  0.11956  333 HOH A O    
2610 O  O    . HOH I .  ? 0.19419 0.27800 0.48908 -0.05076 0.01068  0.11368  334 HOH A O    
2611 O  O    . HOH I .  ? 0.28643 0.15284 0.19193 -0.03772 0.00186  -0.04359 335 HOH A O    
2612 O  O    . HOH I .  ? 0.33927 0.22391 0.25093 0.01730  -0.04965 -0.00514 336 HOH A O    
2613 O  O    . HOH I .  ? 0.35863 0.36993 0.18956 0.21847  0.00378  0.00260  337 HOH A O    
2614 O  O    . HOH I .  ? 0.70811 0.47483 0.43067 0.09414  0.10020  -0.21916 338 HOH A O    
2615 O  O    . HOH I .  ? 0.21187 0.15368 0.18504 0.01757  -0.03727 0.04949  339 HOH A O    
2616 O  O    . HOH I .  ? 0.18038 0.32159 0.18387 0.00622  -0.01585 0.08323  340 HOH A O    
2617 O  O    . HOH I .  ? 0.78933 0.40330 1.09527 0.24413  0.06982  -0.02434 341 HOH A O    
2618 O  O    . HOH I .  ? 0.25217 0.33420 0.29419 -0.03916 0.01059  0.09233  342 HOH A O    
2619 O  O    . HOH I .  ? 0.23828 0.14379 0.29999 -0.05074 0.04679  -0.07753 343 HOH A O    
2620 O  O    . HOH I .  ? 0.18423 0.13779 0.20090 -0.03502 0.01976  0.02045  344 HOH A O    
2621 O  O    . HOH I .  ? 0.47616 0.26168 0.29840 -0.10951 -0.18707 0.09264  345 HOH A O    
2622 O  O    . HOH I .  ? 0.31026 0.26512 0.27891 0.00094  0.11984  -0.11814 346 HOH A O    
2623 O  O    . HOH I .  ? 0.52195 0.57599 0.54348 -0.27585 0.22021  -0.12824 347 HOH A O    
2624 O  O    . HOH I .  ? 0.86966 0.80258 0.50301 0.02782  0.17447  0.31955  348 HOH A O    
2625 O  O    . HOH I .  ? 0.19420 0.20091 0.11066 -0.06782 -0.02397 0.01486  349 HOH A O    
2626 O  O    . HOH I .  ? 0.42467 0.36817 0.31098 0.03090  0.17184  0.02336  350 HOH A O    
2627 O  O    . HOH I .  ? 0.62882 0.45928 0.95385 -0.00610 0.21426  0.29460  351 HOH A O    
2628 O  O    . HOH I .  ? 0.24710 0.17475 0.13810 0.02822  -0.04361 -0.04809 352 HOH A O    
2629 O  O    . HOH I .  ? 0.27890 0.47004 0.19858 0.03723  0.00375  0.13455  353 HOH A O    
2630 O  O    . HOH I .  ? 0.19999 0.07544 0.19487 0.00430  -0.05167 0.01162  354 HOH A O    
2631 O  O    . HOH I .  ? 0.54597 0.81936 0.62741 0.03897  0.07012  -0.40352 355 HOH A O    
2632 O  O    . HOH I .  ? 0.43826 0.37070 0.94762 -0.11311 -0.04160 -0.16961 356 HOH A O    
2633 O  O    . HOH I .  ? 0.21772 0.49325 0.20445 0.05452  -0.04234 -0.11129 357 HOH A O    
2634 O  O    . HOH I .  ? 0.91881 0.92481 0.42646 -0.28399 0.13628  0.15061  358 HOH A O    
2635 O  O    . HOH I .  ? 0.41494 0.17582 0.25847 -0.07069 -0.12586 0.02001  359 HOH A O    
2636 O  O    . HOH I .  ? 0.27737 0.55404 0.85601 -0.11219 0.02320  -0.15373 360 HOH A O    
2637 O  O    . HOH I .  ? 0.68335 0.37363 0.26005 0.26722  0.04916  0.00409  361 HOH A O    
2638 O  O    . HOH I .  ? 0.22640 0.21762 0.31985 -0.06873 -0.00666 0.08487  362 HOH A O    
2639 O  O    . HOH I .  ? 0.42142 0.26791 0.63147 -0.11413 0.13605  -0.15072 363 HOH A O    
2640 O  O    . HOH I .  ? 0.24383 0.21666 0.32488 0.11855  -0.03524 0.02932  364 HOH A O    
2641 O  O    . HOH I .  ? 0.28832 0.36725 0.27652 0.10658  0.03319  0.03605  365 HOH A O    
2642 O  O    . HOH I .  ? 0.39012 0.52326 0.52007 0.08705  0.17838  0.15588  366 HOH A O    
2643 O  O    . HOH I .  ? 0.53100 0.60672 0.32892 -0.07693 -0.09961 0.13857  367 HOH A O    
2644 O  O    . HOH I .  ? 0.38150 0.17900 0.16726 0.00025  0.07252  0.02171  368 HOH A O    
2645 O  O    . HOH I .  ? 0.58606 0.36046 0.47737 -0.01767 -0.01078 -0.24361 369 HOH A O    
2646 O  O    . HOH I .  ? 0.43032 0.81398 0.28588 0.26254  -0.06443 -0.05755 370 HOH A O    
2647 O  O    . HOH I .  ? 0.15402 0.32425 0.19867 -0.00065 -0.04657 -0.02000 371 HOH A O    
2648 O  O    . HOH I .  ? 0.70739 0.25177 0.26641 0.11292  -0.11693 -0.01300 372 HOH A O    
2649 O  O    . HOH I .  ? 0.17231 0.21245 0.25711 0.06817  0.01075  0.07747  373 HOH A O    
2650 O  O    . HOH I .  ? 0.51488 0.56008 0.23461 0.06512  0.01076  0.14025  374 HOH A O    
2651 O  O    . HOH I .  ? 1.13997 1.21277 0.62703 -0.16951 -0.31014 -0.30804 375 HOH A O    
2652 O  O    . HOH I .  ? 0.39154 0.39307 0.26821 0.04842  -0.00780 0.18251  376 HOH A O    
2653 O  O    . HOH I .  ? 0.69501 0.32157 0.58554 0.16883  0.29298  0.13876  377 HOH A O    
2654 O  O    . HOH I .  ? 0.21821 0.34795 0.35501 0.10566  -0.06521 0.04018  378 HOH A O    
2655 O  O    . HOH I .  ? 0.26107 0.12726 0.17584 0.03952  0.10022  0.00538  379 HOH A O    
2656 O  O    . HOH I .  ? 0.86253 0.41403 0.69521 0.04070  -0.29057 -0.20281 380 HOH A O    
2657 O  O    . HOH I .  ? 0.68829 0.56769 0.43927 -0.15133 -0.23191 0.08349  381 HOH A O    
2658 O  O    . HOH I .  ? 0.56456 0.40654 0.25088 0.27844  -0.05713 -0.04212 382 HOH A O    
2659 O  O    . HOH I .  ? 0.33153 0.47051 0.21582 0.04986  0.13467  0.02918  383 HOH A O    
2660 O  O    . HOH I .  ? 0.39212 0.46955 0.53776 0.08949  0.23150  0.05756  384 HOH A O    
2661 O  O    . HOH I .  ? 0.36565 0.54288 0.86537 0.13312  0.13330  0.15782  385 HOH A O    
2662 O  O    . HOH I .  ? 0.87015 0.40776 1.04357 -0.00783 0.09399  0.25890  386 HOH A O    
2663 O  O    . HOH I .  ? 0.75785 0.19167 0.75308 -0.00265 0.00216  -0.03250 387 HOH A O    
2664 O  O    . HOH I .  ? 0.38274 0.47267 0.17409 0.23381  -0.01313 0.00491  388 HOH A O    
2665 O  O    . HOH I .  ? 0.53806 0.66760 0.63254 0.25197  -0.22141 -0.35286 389 HOH A O    
2666 O  O    . HOH I .  ? 0.66854 0.59830 0.26188 0.12276  -0.14572 0.05483  390 HOH A O    
2667 O  O    . HOH I .  ? 0.21580 0.14451 0.17374 -0.05817 -0.03438 0.00887  391 HOH A O    
2668 O  O    . HOH I .  ? 0.76030 0.82293 0.41923 0.18172  -0.26145 -0.14546 392 HOH A O    
2669 O  O    . HOH I .  ? 0.59404 0.59811 0.71360 -0.12303 -0.03005 0.23636  393 HOH A O    
2670 O  O    . HOH I .  ? 0.44869 0.68520 0.36513 0.21155  0.04643  -0.06130 394 HOH A O    
2671 O  O    . HOH I .  ? 0.82115 0.52562 0.50462 -0.05612 -0.19669 -0.12254 395 HOH A O    
2672 O  O    . HOH I .  ? 0.74515 0.28707 0.38730 -0.14908 0.19342  -0.02543 396 HOH A O    
2673 O  O    . HOH I .  ? 0.31191 0.56598 0.83873 -0.03548 0.15718  0.19587  397 HOH A O    
2674 O  O    . HOH I .  ? 0.39483 0.91646 0.96589 0.13483  -0.24943 -0.10238 398 HOH A O    
2675 O  O    . HOH I .  ? 0.60493 0.37785 0.50124 -0.20805 -0.13933 -0.07989 399 HOH A O    
2676 O  O    . HOH I .  ? 0.70747 0.77663 0.32293 -0.04455 0.21273  0.07514  400 HOH A O    
2677 O  O    . HOH I .  ? 0.64608 0.41897 0.57665 -0.11989 -0.11075 -0.08039 401 HOH A O    
2678 O  O    . HOH I .  ? 0.59404 0.88428 0.76423 -0.04982 -0.06603 0.02509  402 HOH A O    
2679 O  O    . HOH I .  ? 0.50812 0.43595 0.35193 0.25349  -0.19923 -0.17288 403 HOH A O    
2680 O  O    . HOH I .  ? 0.63001 0.24254 0.55886 0.14536  0.07361  0.07363  404 HOH A O    
2681 O  O    . HOH I .  ? 0.41703 0.99687 0.54584 0.04272  0.09408  0.21507  405 HOH A O    
2682 O  O    . HOH I .  ? 0.41051 0.97911 0.51071 -0.10916 0.08612  0.21451  406 HOH A O    
2683 O  O    . HOH I .  ? 0.69816 0.45136 0.46627 0.22212  0.09180  0.14414  407 HOH A O    
2684 O  O    . HOH I .  ? 1.00226 0.82478 0.53484 0.09105  0.14222  -0.32214 408 HOH A O    
2685 O  O    . HOH I .  ? 0.35212 0.18868 0.28567 -0.09556 0.09758  -0.08924 409 HOH A O    
2686 O  O    . HOH I .  ? 0.81400 0.51870 1.06076 0.09562  -0.41914 -0.17232 410 HOH A O    
2687 O  O    . HOH I .  ? 0.71531 0.54516 0.35079 -0.03614 -0.03503 -0.24292 411 HOH A O    
2688 O  O    . HOH I .  ? 0.68679 0.45377 0.89880 -0.25527 -0.14630 -0.11149 412 HOH A O    
2689 O  O    . HOH I .  ? 0.36885 0.25358 0.79558 0.00469  -0.05179 0.15479  413 HOH A O    
2690 O  O    . HOH I .  ? 0.73971 0.69931 0.27948 -0.26950 -0.01856 0.01232  414 HOH A O    
2691 O  O    . HOH I .  ? 0.67772 0.53783 0.49618 -0.19476 -0.12221 0.26426  415 HOH A O    
2692 O  O    . HOH I .  ? 0.59292 0.66654 0.33234 0.20532  0.00079  0.00090  416 HOH A O    
2693 O  O    . HOH I .  ? 0.50250 0.74223 0.80711 0.18494  0.31936  0.10875  417 HOH A O    
2694 O  O    . HOH I .  ? 0.32057 0.39006 1.00691 0.08943  -0.08811 -0.03230 418 HOH A O    
2695 O  O    . HOH I .  ? 0.79318 0.67802 0.61351 0.02274  -0.40496 0.04520  419 HOH A O    
2696 O  O    . HOH I .  ? 0.92798 0.62871 0.50306 0.10131  0.31672  -0.08423 420 HOH A O    
2697 O  O    . HOH I .  ? 0.70363 0.38808 1.13594 -0.06816 0.01733  -0.17331 421 HOH A O    
2698 O  O    . HOH I .  ? 0.56741 0.27991 0.64189 0.02700  -0.22326 -0.14038 422 HOH A O    
2699 O  O    . HOH I .  ? 0.38474 0.62901 0.33561 -0.17988 0.03004  -0.09362 423 HOH A O    
2700 O  O    . HOH I .  ? 0.73360 0.25354 0.74207 0.01192  -0.24768 0.04361  424 HOH A O    
2701 O  O    . HOH I .  ? 0.27826 0.12563 0.13118 0.02476  -0.03260 -0.00070 425 HOH A O    
2702 O  O    . HOH I .  ? 0.82415 0.94536 0.62516 0.38348  0.06342  0.02588  426 HOH A O    
2703 O  O    . HOH I .  ? 0.76706 0.46080 0.30198 -0.03065 0.02503  -0.08160 427 HOH A O    
2704 O  O    . HOH I .  ? 0.85189 0.76923 0.50244 0.18819  -0.05016 0.11724  428 HOH A O    
2705 O  O    . HOH I .  ? 0.77931 0.81804 1.03994 -0.38204 0.12750  0.23008  429 HOH A O    
2706 O  O    . HOH I .  ? 0.52259 0.55144 0.49283 -0.00438 -0.23172 0.03453  430 HOH A O    
2707 O  O    . HOH I .  ? 0.79617 0.44851 0.87214 -0.18499 -0.11135 0.27480  431 HOH A O    
2708 O  O    . HOH I .  ? 0.46607 1.20200 0.72331 0.11411  0.02333  -0.26535 432 HOH A O    
2709 O  O    . HOH I .  ? 0.41765 0.46141 0.49898 -0.04601 -0.03830 -0.12211 433 HOH A O    
2710 O  O    . HOH I .  ? 0.71579 0.55731 0.39657 -0.00203 0.02401  -0.27307 434 HOH A O    
2711 O  O    . HOH I .  ? 0.30710 0.41395 0.46409 0.06353  -0.04122 0.16721  435 HOH A O    
2712 O  O    . HOH I .  ? 0.52220 0.38785 0.62608 -0.13717 -0.26484 0.21769  436 HOH A O    
2713 O  O    . HOH I .  ? 0.39640 0.28419 0.28239 -0.01331 0.03878  -0.08053 437 HOH A O    
2714 O  O    . HOH I .  ? 0.48464 0.28614 0.33083 0.03389  0.01095  -0.01376 438 HOH A O    
2715 O  O    . HOH I .  ? 0.65164 0.59829 0.53153 -0.00656 0.01808  0.02506  439 HOH A O    
2716 O  O    . HOH I .  ? 0.53802 0.52675 0.27778 -0.29910 -0.13195 0.12913  440 HOH A O    
2717 O  O    . HOH I .  ? 0.96891 0.66783 0.54062 -0.11339 0.15188  0.29224  441 HOH A O    
2718 O  O    . HOH I .  ? 0.43504 0.29728 0.45406 0.02025  -0.16998 0.05450  442 HOH A O    
2719 O  O    . HOH I .  ? 0.65429 0.66631 0.67184 0.29694  0.16011  -0.12836 443 HOH A O    
2720 O  O    . HOH I .  ? 0.73142 0.33262 0.47550 0.10029  0.18359  0.06129  444 HOH A O    
2721 O  O    . HOH I .  ? 0.38055 0.52911 0.79784 0.17707  0.02484  -0.20200 445 HOH A O    
2722 O  O    . HOH I .  ? 1.01571 1.31936 0.80936 0.17052  0.27150  0.25485  446 HOH A O    
2723 O  O    . HOH I .  ? 0.95397 0.63096 0.69655 0.24317  -0.05218 -0.32966 447 HOH A O    
2724 O  O    . HOH I .  ? 0.55225 0.69183 0.65785 0.01818  -0.30599 -0.19212 448 HOH A O    
2725 O  O    . HOH I .  ? 0.29698 0.31291 0.21202 -0.03308 0.00426  0.10423  449 HOH A O    
2726 O  O    . HOH I .  ? 0.28171 0.20990 0.62143 -0.06117 -0.14815 0.05002  450 HOH A O    
2727 O  O    . HOH I .  ? 0.84925 0.32451 0.86015 -0.03590 0.17039  0.07386  451 HOH A O    
2728 O  O    . HOH I .  ? 0.38725 0.16156 0.53236 -0.04434 -0.04605 -0.00719 452 HOH A O    
2729 O  O    . HOH I .  ? 0.78719 0.95871 0.61535 0.14835  0.04066  0.07080  453 HOH A O    
2730 O  O    . HOH I .  ? 0.50738 0.68293 1.08346 -0.02196 0.10867  -0.18773 454 HOH A O    
2731 O  O    . HOH I .  ? 0.44085 0.30781 0.45960 0.14849  0.06908  -0.07702 455 HOH A O    
2732 O  O    . HOH I .  ? 0.97230 0.42314 0.71257 -0.01039 0.14299  0.02186  456 HOH A O    
2733 O  O    . HOH I .  ? 0.63756 0.46723 0.36912 0.28097  0.13395  0.15675  457 HOH A O    
2734 O  O    . HOH I .  ? 0.29278 0.33412 0.25894 0.06748  0.00191  -0.01170 458 HOH A O    
2735 O  O    . HOH I .  ? 0.23937 0.45660 0.27837 0.11587  0.03223  0.03695  459 HOH A O    
2736 O  O    . HOH I .  ? 0.57485 0.44490 0.56480 -0.00825 0.08049  0.14463  460 HOH A O    
2737 O  O    . HOH I .  ? 0.59452 0.79490 0.78814 0.21933  -0.23540 0.23056  461 HOH A O    
2738 O  O    . HOH I .  ? 0.50263 0.57419 0.74422 -0.14649 -0.20020 -0.20940 462 HOH A O    
2739 O  O    . HOH I .  ? 0.44948 0.38556 0.55713 0.17195  -0.22011 -0.14493 463 HOH A O    
2740 O  O    . HOH I .  ? 0.50696 0.69928 0.63157 0.26106  0.15576  0.16460  464 HOH A O    
2741 O  O    . HOH I .  ? 0.19837 0.09486 0.16965 -0.01273 0.01481  -0.00488 465 HOH A O    
2742 O  O    . HOH I .  ? 0.80486 1.02943 0.94200 0.30223  0.09209  -0.24134 466 HOH A O    
2743 O  O    . HOH I .  ? 0.50175 1.05855 0.32173 -0.24747 -0.04612 0.13393  467 HOH A O    
2744 O  O    . HOH I .  ? 0.28229 0.66897 0.53558 0.04399  0.10968  0.24273  468 HOH A O    
2745 O  O    . HOH I .  ? 0.57720 0.78025 0.43842 0.26041  0.02222  0.22819  469 HOH A O    
2746 O  O    . HOH I .  ? 0.57461 0.28043 0.52490 0.02261  0.01604  -0.01194 470 HOH A O    
2747 O  O    . HOH I .  ? 0.41629 0.54599 0.87084 -0.02434 -0.04304 -0.18967 471 HOH A O    
2748 O  O    . HOH I .  ? 0.46661 0.48581 0.99986 0.13714  0.09310  -0.15580 472 HOH A O    
2749 O  O    . HOH I .  ? 0.34707 0.71073 0.53175 0.14603  -0.03844 -0.27507 473 HOH A O    
2750 O  O    . HOH I .  ? 0.91109 0.63616 0.42083 0.25117  -0.07862 0.15033  474 HOH A O    
2751 O  O    . HOH I .  ? 0.65579 0.57162 0.63554 -0.12605 0.20595  -0.09621 475 HOH A O    
2752 O  O    . HOH I .  ? 0.56069 0.36841 0.97840 -0.06534 -0.33929 0.17863  476 HOH A O    
2753 O  O    . HOH I .  ? 0.86570 0.58658 0.51471 0.10873  0.18542  -0.14147 477 HOH A O    
2754 O  O    . HOH I .  ? 0.85594 0.73419 0.32188 -0.03983 0.03323  0.14298  478 HOH A O    
2755 O  O    . HOH J .  ? 0.12262 0.24855 0.25968 -0.04187 0.04063  -0.14963 301 HOH B O    
2756 O  O    . HOH J .  ? 0.51491 0.74645 0.62030 -0.00340 0.33226  0.05480  302 HOH B O    
2757 O  O    . HOH J .  ? 0.49539 0.54103 0.82376 -0.02682 -0.10961 -0.04794 303 HOH B O    
2758 O  O    . HOH J .  ? 0.31552 0.34618 0.22538 -0.06529 0.03996  -0.10509 304 HOH B O    
2759 O  O    . HOH J .  ? 0.53378 0.49250 0.50196 0.26758  0.18701  0.06932  305 HOH B O    
2760 O  O    . HOH J .  ? 0.50596 0.52104 0.71220 -0.27449 0.03623  -0.15546 306 HOH B O    
2761 O  O    . HOH J .  ? 0.75898 0.73812 0.65165 0.23817  -0.03794 0.33737  307 HOH B O    
2762 O  O    . HOH J .  ? 0.22065 0.35135 0.23426 -0.02724 -0.03877 0.09823  308 HOH B O    
2763 O  O    . HOH J .  ? 0.87775 0.68442 0.63525 -0.19694 -0.11585 0.35835  309 HOH B O    
2764 O  O    . HOH J .  ? 0.75514 0.56654 0.33881 0.24939  -0.17372 -0.04447 310 HOH B O    
2765 O  O    . HOH J .  ? 0.41095 0.82240 0.42011 0.27890  -0.03984 -0.14423 311 HOH B O    
2766 O  O    . HOH J .  ? 0.38132 0.47432 0.59140 -0.02977 -0.14946 -0.24192 312 HOH B O    
2767 O  O    . HOH J .  ? 0.16387 0.15234 0.16689 0.04280  0.03019  0.07675  313 HOH B O    
2768 O  O    . HOH J .  ? 0.14802 0.12610 0.11882 0.00604  0.00696  0.05124  314 HOH B O    
2769 O  O    . HOH J .  ? 0.42801 0.49948 0.33170 -0.13967 0.10197  -0.00563 315 HOH B O    
2770 O  O    . HOH J .  ? 0.25301 0.32062 0.40804 -0.03142 -0.07602 -0.12150 316 HOH B O    
2771 O  O    . HOH J .  ? 0.19352 0.12743 0.31333 -0.03232 0.08428  -0.05274 317 HOH B O    
2772 O  O    . HOH J .  ? 0.85919 1.11446 0.49822 0.08374  -0.24318 0.22355  318 HOH B O    
2773 O  O    . HOH J .  ? 0.28768 0.35852 0.58984 -0.06994 -0.20283 0.05766  319 HOH B O    
2774 O  O    . HOH J .  ? 0.76835 0.47645 0.61814 0.19975  0.30046  0.24841  320 HOH B O    
2775 O  O    . HOH J .  ? 0.46041 0.29485 0.49025 0.15651  -0.17212 0.00153  321 HOH B O    
2776 O  O    . HOH J .  ? 0.40837 0.17034 0.39752 -0.07458 0.15641  -0.06699 322 HOH B O    
2777 O  O    . HOH J .  ? 0.52235 0.23721 0.40174 0.10553  0.05787  0.06056  323 HOH B O    
2778 O  O    . HOH J .  ? 0.39864 0.27035 0.34993 0.12680  0.18211  0.03212  324 HOH B O    
2779 O  O    . HOH J .  ? 0.35574 0.29953 0.95257 -0.05127 -0.01633 -0.13903 325 HOH B O    
2780 O  O    . HOH J .  ? 0.37329 0.23552 0.25767 0.13827  0.14680  0.10437  326 HOH B O    
2781 O  O    . HOH J .  ? 0.70975 0.93113 0.25254 -0.00163 0.06346  0.05110  327 HOH B O    
2782 O  O    . HOH J .  ? 0.38472 0.31682 0.17024 0.18179  -0.07624 -0.07179 328 HOH B O    
2783 O  O    . HOH J .  ? 0.38169 0.14524 0.28968 0.00648  0.03474  -0.01915 329 HOH B O    
2784 O  O    . HOH J .  ? 0.17678 0.12289 0.13610 -0.02005 0.00534  0.02522  330 HOH B O    
2785 O  O    . HOH J .  ? 0.70262 0.38481 0.41375 0.19362  0.26816  0.06777  331 HOH B O    
2786 O  O    . HOH J .  ? 0.42055 0.70730 0.34713 -0.09020 -0.06846 -0.16859 332 HOH B O    
2787 O  O    . HOH J .  ? 0.18213 0.13677 0.13584 0.01936  0.00886  -0.01303 333 HOH B O    
2788 O  O    . HOH J .  ? 0.24056 0.21881 0.27321 -0.12539 0.01149  0.02301  334 HOH B O    
2789 O  O    . HOH J .  ? 0.61071 0.62092 0.54447 0.18585  0.21778  -0.17440 335 HOH B O    
2790 O  O    . HOH J .  ? 0.23525 0.38761 0.24193 0.06115  0.05985  0.11089  336 HOH B O    
2791 O  O    . HOH J .  ? 0.24508 0.17751 0.29484 -0.02664 0.09492  0.03713  337 HOH B O    
2792 O  O    . HOH J .  ? 0.35814 0.10202 0.17487 -0.03359 0.06263  -0.01954 338 HOH B O    
2793 O  O    . HOH J .  ? 0.44400 0.20059 0.24536 0.09204  -0.06880 -0.08784 339 HOH B O    
2794 O  O    . HOH J .  ? 0.69635 0.35626 0.26712 0.15546  0.00010  -0.09162 340 HOH B O    
2795 O  O    . HOH J .  ? 0.21159 0.37520 0.22703 0.07606  0.03943  0.05809  341 HOH B O    
2796 O  O    . HOH J .  ? 0.30906 0.61221 0.33223 0.00302  -0.01690 0.05678  342 HOH B O    
2797 O  O    . HOH J .  ? 0.27646 0.17946 0.52899 0.05095  -0.15753 -0.08248 343 HOH B O    
2798 O  O    . HOH J .  ? 0.59976 0.25486 0.73626 -0.01513 0.22352  -0.06643 344 HOH B O    
2799 O  O    . HOH J .  ? 0.28595 0.47878 0.17830 0.12591  -0.00046 0.09364  345 HOH B O    
2800 O  O    . HOH J .  ? 0.29850 0.12643 0.23880 -0.02624 0.03823  0.01511  346 HOH B O    
2801 O  O    . HOH J .  ? 0.27239 0.38700 0.20880 -0.09160 0.01630  0.02168  347 HOH B O    
2802 O  O    . HOH J .  ? 0.81791 0.40660 0.36705 -0.05704 0.22919  0.04390  348 HOH B O    
2803 O  O    . HOH J .  ? 0.46976 0.58815 0.76818 -0.17522 0.07593  -0.34421 349 HOH B O    
2804 O  O    . HOH J .  ? 0.16709 0.17737 0.15840 0.00894  0.02099  -0.04918 350 HOH B O    
2805 O  O    . HOH J .  ? 0.13572 0.15899 0.19040 0.01510  -0.00395 -0.01686 351 HOH B O    
2806 O  O    . HOH J .  ? 0.55515 0.68801 0.35464 -0.06027 -0.23365 -0.08948 352 HOH B O    
2807 O  O    . HOH J .  ? 0.42252 0.47266 0.25721 -0.20715 -0.10078 0.11628  353 HOH B O    
2808 O  O    . HOH J .  ? 0.23851 0.15378 0.16752 -0.08735 0.03162  -0.02842 354 HOH B O    
2809 O  O    . HOH J .  ? 0.26086 0.33505 0.77277 0.04125  -0.12559 0.02393  355 HOH B O    
2810 O  O    . HOH J .  ? 0.40853 0.35936 0.72611 -0.18508 0.02417  0.08167  356 HOH B O    
2811 O  O    . HOH J .  ? 0.83111 0.50782 0.34985 -0.21845 -0.10489 -0.08743 357 HOH B O    
2812 O  O    . HOH J .  ? 0.74927 0.49946 0.32164 -0.32724 -0.01322 0.06585  358 HOH B O    
2813 O  O    . HOH J .  ? 0.14452 0.10598 0.11949 0.01468  0.01076  0.02319  359 HOH B O    
2814 O  O    . HOH J .  ? 0.26658 0.34151 0.43062 -0.01932 -0.04605 -0.02092 360 HOH B O    
2815 O  O    . HOH J .  ? 0.28282 0.55934 0.32804 -0.20368 -0.05749 0.05948  361 HOH B O    
2816 O  O    . HOH J .  ? 0.23861 0.11650 0.21521 -0.01754 0.02818  -0.01881 362 HOH B O    
2817 O  O    . HOH J .  ? 1.15213 1.08530 0.37270 -0.03656 0.02782  0.24318  363 HOH B O    
2818 O  O    . HOH J .  ? 0.73494 0.27138 0.54448 0.12671  -0.26509 -0.07781 364 HOH B O    
2819 O  O    . HOH J .  ? 0.22619 0.25558 0.15660 0.03769  0.01487  -0.01632 365 HOH B O    
2820 O  O    . HOH J .  ? 0.31525 0.24380 0.63863 0.10619  0.04528  -0.03346 366 HOH B O    
2821 O  O    . HOH J .  ? 0.26340 0.48412 0.51928 -0.06668 -0.17073 -0.05474 367 HOH B O    
2822 O  O    . HOH J .  ? 1.21293 0.42337 0.37705 -0.13284 -0.18098 0.06305  368 HOH B O    
2823 O  O    . HOH J .  ? 0.35103 0.16063 0.27554 0.08786  -0.00059 -0.04697 369 HOH B O    
2824 O  O    . HOH J .  ? 0.54413 0.20285 0.39604 0.09965  -0.19509 -0.05133 370 HOH B O    
2825 O  O    . HOH J .  ? 0.15918 0.10060 0.13891 0.02476  0.02901  0.01408  371 HOH B O    
2826 O  O    . HOH J .  ? 0.22213 0.31782 0.47277 -0.01479 0.01863  -0.19009 372 HOH B O    
2827 O  O    . HOH J .  ? 0.41121 0.32601 0.44048 0.14966  0.16619  0.15298  373 HOH B O    
2828 O  O    . HOH J .  ? 0.20810 0.17448 0.52928 -0.03843 0.11906  -0.09228 374 HOH B O    
2829 O  O    . HOH J .  ? 0.38772 0.70316 0.70956 0.17656  -0.03563 -0.27098 375 HOH B O    
2830 O  O    . HOH J .  ? 0.53762 0.57088 0.31049 0.18680  0.12968  0.18641  376 HOH B O    
2831 O  O    . HOH J .  ? 0.34445 0.32474 0.16317 -0.12936 -0.02971 0.04429  377 HOH B O    
2832 O  O    . HOH J .  ? 0.29039 0.09844 0.21624 0.01178  -0.00501 -0.02175 378 HOH B O    
2833 O  O    . HOH J .  ? 0.80060 0.42498 0.86778 -0.14324 0.09349  0.17927  379 HOH B O    
2834 O  O    . HOH J .  ? 0.70183 0.28874 0.24000 -0.20380 0.13086  -0.05336 380 HOH B O    
2835 O  O    . HOH J .  ? 0.57443 0.51785 0.56596 -0.23837 -0.14782 0.26271  381 HOH B O    
2836 O  O    . HOH J .  ? 0.26634 0.26842 0.25503 0.06070  0.02519  0.08100  382 HOH B O    
2837 O  O    . HOH J .  ? 0.31284 0.37086 0.18973 0.06715  -0.07334 0.09437  383 HOH B O    
2838 O  O    . HOH J .  ? 0.29723 0.71871 0.47513 0.10579  -0.03279 -0.24511 384 HOH B O    
2839 O  O    . HOH J .  ? 0.18273 0.23906 0.17572 0.04919  0.01567  0.11009  385 HOH B O    
2840 O  O    . HOH J .  ? 0.38097 0.22026 0.38968 0.11877  -0.16809 -0.10778 386 HOH B O    
2841 O  O    . HOH J .  ? 0.25102 0.16734 0.22537 0.00474  -0.06083 0.04241  387 HOH B O    
2842 O  O    . HOH J .  ? 0.38706 0.62652 0.62674 0.00130  -0.20380 0.22888  388 HOH B O    
2843 O  O    . HOH J .  ? 0.22774 0.23353 0.42136 -0.07815 0.14912  -0.14941 389 HOH B O    
2844 O  O    . HOH J .  ? 0.30629 0.54789 0.36043 0.02405  0.02901  0.21081  390 HOH B O    
2845 O  O    . HOH J .  ? 0.52952 0.75635 0.89577 0.33755  -0.12326 0.02240  391 HOH B O    
2846 O  O    . HOH J .  ? 0.34026 0.47591 0.28107 0.19053  0.06141  0.12162  392 HOH B O    
2847 O  O    . HOH J .  ? 0.34289 0.16429 0.51254 0.06544  0.00395  -0.06804 393 HOH B O    
2848 O  O    . HOH J .  ? 0.23883 0.12403 0.12674 0.03384  0.00961  -0.01059 394 HOH B O    
2849 O  O    . HOH J .  ? 0.50216 0.92022 0.74641 0.26813  0.25038  0.09544  395 HOH B O    
2850 O  O    . HOH J .  ? 0.40153 0.37181 0.41093 0.02222  -0.18313 -0.16429 396 HOH B O    
2851 O  O    . HOH J .  ? 0.35127 0.27326 0.23375 0.12364  0.04581  0.06910  397 HOH B O    
2852 O  O    . HOH J .  ? 0.82827 0.69255 0.39408 -0.12312 -0.02074 -0.03936 398 HOH B O    
2853 O  O    . HOH J .  ? 0.50649 0.32444 0.25236 0.11310  0.05626  -0.03454 399 HOH B O    
2854 O  O    . HOH J .  ? 0.32614 0.90174 0.44696 0.02194  -0.04183 -0.32160 400 HOH B O    
2855 O  O    . HOH J .  ? 0.81324 0.33588 0.45119 0.22184  -0.11228 -0.09796 401 HOH B O    
2856 O  O    . HOH J .  ? 0.43972 0.82824 0.37251 0.23374  -0.14168 -0.21191 402 HOH B O    
2857 O  O    . HOH J .  ? 1.14015 0.74340 0.53416 -0.07961 0.21005  0.25040  403 HOH B O    
2858 O  O    . HOH J .  ? 0.72980 0.52043 0.79451 -0.14538 -0.42045 0.22996  404 HOH B O    
2859 O  O    . HOH J .  ? 0.34518 0.57425 0.17618 -0.09236 0.04444  -0.00203 405 HOH B O    
2860 O  O    . HOH J .  ? 0.33586 0.39420 0.30025 -0.21364 0.04877  -0.05083 406 HOH B O    
2861 O  O    . HOH J .  ? 1.01212 0.33504 0.32865 -0.11917 -0.04693 -0.01545 407 HOH B O    
2862 O  O    . HOH J .  ? 0.72931 0.23032 0.61493 0.10729  0.02331  -0.09035 408 HOH B O    
2863 O  O    . HOH J .  ? 0.74673 0.63115 0.66737 -0.18822 0.38828  -0.22435 409 HOH B O    
2864 O  O    . HOH J .  ? 0.46343 0.76364 0.60496 0.09900  0.29367  0.06164  410 HOH B O    
2865 O  O    . HOH J .  ? 0.49105 0.51493 0.51560 0.04571  0.06588  0.18351  411 HOH B O    
2866 O  O    . HOH J .  ? 0.59901 0.64118 0.31906 -0.31069 0.08750  -0.15780 412 HOH B O    
2867 O  O    . HOH J .  ? 0.51153 0.98140 0.44376 -0.00791 0.15883  0.11951  413 HOH B O    
2868 O  O    . HOH J .  ? 0.35127 0.84541 0.86514 0.18038  0.15085  -0.03485 414 HOH B O    
2869 O  O    . HOH J .  ? 0.67769 0.57190 0.40194 -0.15624 -0.24457 0.15996  415 HOH B O    
2870 O  O    . HOH J .  ? 0.92297 0.51902 0.89211 -0.14576 0.09480  -0.06892 416 HOH B O    
2871 O  O    . HOH J .  ? 0.65472 0.67532 0.87712 -0.15039 -0.16772 -0.15055 417 HOH B O    
2872 O  O    . HOH J .  ? 0.88834 0.73675 0.59837 0.05618  -0.17580 0.34460  418 HOH B O    
2873 O  O    . HOH J .  ? 0.28031 0.27702 0.18399 -0.07171 -0.07306 0.07773  419 HOH B O    
2874 O  O    . HOH J .  ? 0.48776 0.32025 0.67685 0.04850  -0.10865 0.20545  420 HOH B O    
2875 O  O    . HOH J .  ? 0.55362 0.39898 0.54671 -0.11803 0.12810  -0.24932 421 HOH B O    
2876 O  O    . HOH J .  ? 0.64654 0.50947 0.38656 -0.11745 0.17677  0.15216  422 HOH B O    
2877 O  O    . HOH J .  ? 0.76687 0.94681 0.80321 0.09706  -0.33296 0.25642  423 HOH B O    
2878 O  O    . HOH J .  ? 0.74723 0.58041 0.54999 -0.06001 0.15774  0.15228  424 HOH B O    
2879 O  O    . HOH J .  ? 0.59592 0.28420 0.92872 0.06794  -0.12079 -0.11888 425 HOH B O    
2880 O  O    . HOH J .  ? 0.20750 0.13397 0.21496 0.01611  0.00761  -0.02901 426 HOH B O    
2881 O  O    . HOH J .  ? 0.35592 0.34514 0.61972 -0.01826 0.06680  0.02991  427 HOH B O    
2882 O  O    . HOH J .  ? 0.45190 0.64234 0.24595 -0.14241 -0.09697 -0.06034 428 HOH B O    
2883 O  O    . HOH J .  ? 0.25521 0.53867 0.19195 0.02683  -0.03477 -0.12503 429 HOH B O    
2884 O  O    . HOH J .  ? 0.60488 0.37703 0.24039 -0.26407 0.07265  -0.06113 430 HOH B O    
2885 O  O    . HOH J .  ? 0.71253 0.65290 0.49895 0.07197  0.23007  -0.00200 431 HOH B O    
2886 O  O    . HOH J .  ? 0.60718 0.64846 1.14967 -0.10641 0.13541  -0.20833 432 HOH B O    
2887 O  O    . HOH J .  ? 0.76060 0.70945 0.42415 0.31209  -0.15271 -0.09730 433 HOH B O    
2888 O  O    . HOH J .  ? 0.66605 0.49766 0.48793 0.23477  -0.28802 -0.20978 434 HOH B O    
2889 O  O    . HOH J .  ? 0.29543 0.27890 0.25259 0.10951  -0.06036 0.06714  435 HOH B O    
2890 O  O    . HOH J .  ? 0.65074 0.48018 1.21206 -0.07179 0.14657  0.13766  436 HOH B O    
2891 O  O    . HOH J .  ? 0.58152 0.70974 1.08972 -0.07600 -0.37210 0.00880  437 HOH B O    
2892 O  O    . HOH J .  ? 0.71061 0.69780 1.15807 0.15898  -0.20263 0.29692  438 HOH B O    
2893 O  O    . HOH J .  ? 0.39901 0.45398 0.85986 -0.16390 -0.08138 0.00319  439 HOH B O    
2894 O  O    . HOH J .  ? 0.82714 0.65910 0.60469 0.04372  0.25842  0.01041  440 HOH B O    
2895 O  O    . HOH J .  ? 0.62580 0.37338 0.45426 0.04959  0.30135  0.08321  441 HOH B O    
2896 O  O    . HOH J .  ? 0.48425 0.78721 0.74219 -0.19952 -0.08904 0.05358  442 HOH B O    
2897 O  O    . HOH J .  ? 0.67473 0.82171 0.47174 0.02593  -0.32678 0.02465  443 HOH B O    
2898 O  O    . HOH J .  ? 0.23973 0.35518 0.23361 0.13609  -0.05724 -0.13576 444 HOH B O    
2899 O  O    . HOH J .  ? 0.40549 0.59849 0.39382 -0.17487 0.17603  -0.21763 445 HOH B O    
2900 O  O    . HOH J .  ? 0.78507 1.07734 0.68123 -0.21424 -0.13935 -0.13232 446 HOH B O    
2901 O  O    . HOH J .  ? 0.34845 0.82012 0.81060 0.05200  0.03103  -0.13288 447 HOH B O    
2902 O  O    . HOH J .  ? 0.84551 0.75145 0.89320 0.28188  -0.04353 -0.35368 448 HOH B O    
2903 O  O    . HOH J .  ? 0.48591 0.61745 0.65752 0.30148  -0.04346 0.08078  449 HOH B O    
2904 O  O    . HOH J .  ? 0.89281 0.54606 0.59691 -0.14127 0.21251  -0.02973 450 HOH B O    
2905 O  O    . HOH J .  ? 0.35066 0.39417 0.68901 -0.03222 0.07249  -0.09197 451 HOH B O    
2906 O  O    . HOH J .  ? 0.47447 1.07708 0.76091 -0.27170 0.20612  -0.24650 452 HOH B O    
2907 O  O    . HOH J .  ? 0.60752 0.39408 0.87453 0.20346  -0.18127 0.04110  453 HOH B O    
2908 O  O    . HOH J .  ? 0.32438 0.20124 0.23802 -0.01077 0.03908  -0.03696 454 HOH B O    
2909 O  O    . HOH J .  ? 0.82946 0.34209 0.28301 0.07280  -0.18116 -0.04445 455 HOH B O    
2910 O  O    . HOH J .  ? 0.58806 0.73034 0.65201 -0.12970 0.14868  0.25391  456 HOH B O    
2911 O  O    . HOH J .  ? 0.88208 1.11244 1.18135 -0.03131 0.15851  0.19485  457 HOH B O    
2912 O  O    . HOH J .  ? 0.45857 0.40459 0.30229 0.11175  0.05828  -0.00836 458 HOH B O    
2913 O  O    . HOH J .  ? 0.49732 0.20283 0.42042 -0.02154 0.13987  -0.07079 459 HOH B O    
2914 O  O    . HOH J .  ? 0.67313 0.26766 0.86216 0.07129  -0.22596 -0.04875 460 HOH B O    
2915 O  O    . HOH J .  ? 0.47411 0.66730 0.57385 0.31034  -0.01438 -0.12815 461 HOH B O    
2916 O  O    . HOH J .  ? 0.47383 0.47479 0.54691 -0.19057 -0.14714 -0.15106 462 HOH B O    
2917 O  O    . HOH J .  ? 0.68551 0.31427 0.32766 -0.22923 0.04194  -0.04584 463 HOH B O    
2918 O  O    . HOH J .  ? 0.33624 0.91319 0.36913 -0.09626 0.06754  -0.05737 464 HOH B O    
2919 O  O    . HOH J .  ? 0.70362 0.78357 0.72310 0.26732  -0.10576 -0.13000 465 HOH B O    
2920 O  O    . HOH J .  ? 0.94119 0.82781 0.98899 -0.25807 0.38134  0.22170  466 HOH B O    
2921 O  O    . HOH J .  ? 0.41067 0.40153 0.22727 -0.07257 -0.05373 -0.11746 467 HOH B O    
2922 O  O    . HOH J .  ? 0.58329 0.23007 0.19467 0.14626  -0.03721 0.01244  468 HOH B O    
2923 O  O    . HOH J .  ? 0.92922 0.48970 0.42573 -0.16534 0.27143  -0.00367 469 HOH B O    
2924 O  O    . HOH J .  ? 0.29290 0.27744 0.30510 0.00737  -0.07921 0.09885  470 HOH B O    
2925 O  O    . HOH J .  ? 0.60469 0.43900 0.82094 0.29676  -0.03686 0.04956  471 HOH B O    
2926 O  O    . HOH J .  ? 0.36426 0.54526 0.63509 -0.20521 0.12803  0.09767  472 HOH B O    
2927 O  O    . HOH J .  ? 0.70119 0.54655 0.49157 -0.18753 -0.17602 -0.17384 473 HOH B O    
2928 O  O    . HOH J .  ? 0.27199 0.16802 0.20937 0.01413  0.08598  0.06263  474 HOH B O    
2929 O  O    . HOH J .  ? 0.42421 0.46536 0.83276 0.04037  0.06173  0.34135  475 HOH B O    
2930 O  O    . HOH J .  ? 0.55342 0.77462 0.50371 -0.15213 0.23213  0.11976  476 HOH B O    
2931 O  O    . HOH J .  ? 0.70995 0.59616 0.50615 0.03434  0.03555  -0.06108 477 HOH B O    
2932 O  O    . HOH J .  ? 0.41370 0.16957 0.49111 0.06402  0.14650  0.01791  478 HOH B O    
2933 O  O    . HOH J .  ? 0.21101 0.40445 0.32494 0.04263  0.01652  0.16335  479 HOH B O    
2934 O  O    . HOH J .  ? 0.47088 0.44607 0.83464 0.19072  0.01254  0.08227  480 HOH B O    
2935 O  O    . HOH J .  ? 0.46056 0.55232 0.73483 -0.22723 -0.08667 -0.07473 481 HOH B O    
2936 O  O    . HOH J .  ? 0.82503 0.76861 0.72964 0.11536  -0.29140 0.28934  482 HOH B O    
2937 O  O    . HOH J .  ? 0.46545 0.17919 0.18888 -0.12946 -0.00711 -0.00295 483 HOH B O    
2938 O  O    . HOH J .  ? 0.48747 0.32349 0.49485 0.10092  0.06760  0.06360  484 HOH B O    
2939 O  O    . HOH J .  ? 0.48098 0.38051 0.33451 -0.14461 0.21348  -0.10863 485 HOH B O    
2940 O  O    . HOH J .  ? 0.15359 0.14792 0.15749 -0.01751 -0.00079 0.03914  486 HOH B O    
2941 O  O    . HOH J .  ? 0.98740 0.56866 0.40834 0.41633  0.04968  0.03033  487 HOH B O    
2942 O  O    . HOH J .  ? 0.50756 0.92946 0.47294 0.11044  0.08130  -0.06847 488 HOH B O    
2943 O  O    . HOH J .  ? 0.69473 1.08287 0.59274 0.23417  0.28602  0.28201  489 HOH B O    
2944 O  O    . HOH J .  ? 0.85298 0.68969 0.40349 -0.06307 0.09759  -0.01818 490 HOH B O    
2945 O  O    . HOH J .  ? 0.23752 0.22352 0.38638 0.01073  0.07347  -0.01830 491 HOH B O    
2946 O  O    . HOH J .  ? 0.44388 0.46759 0.40083 -0.24849 -0.00270 -0.10503 492 HOH B O    
2947 O  O    . HOH J .  ? 0.44636 0.37517 0.65949 -0.09764 -0.14543 0.04066  493 HOH B O    
2948 O  O    . HOH J .  ? 0.58917 1.18369 0.36794 -0.06936 -0.11562 0.07593  494 HOH B O    
2949 O  O    . HOH J .  ? 0.37274 0.90738 0.55584 0.09998  -0.09729 -0.38075 495 HOH B O    
2950 O  O    . HOH J .  ? 0.22793 0.22772 0.23938 0.03007  0.01116  -0.04791 496 HOH B O    
2951 O  O    . HOH J .  ? 0.77451 0.41412 0.72112 0.13956  -0.01164 0.25530  497 HOH B O    
2952 O  O    . HOH J .  ? 0.90695 0.54047 0.92251 -0.29383 -0.07626 -0.10481 498 HOH B O    
2953 O  O    . HOH J .  ? 0.36989 0.80096 0.68419 0.17327  0.12566  0.17082  499 HOH B O    
2954 O  O    . HOH J .  ? 0.47929 0.39178 0.67096 0.13494  -0.00037 0.14553  500 HOH B O    
2955 O  O    . HOH J .  ? 0.92597 0.43886 0.64265 0.01450  0.23335  0.10973  501 HOH B O    
2956 O  O    . HOH J .  ? 0.99288 0.75383 0.67415 -0.13487 0.42799  0.08448  502 HOH B O    
2957 O  O    . HOH J .  ? 0.84946 0.58921 1.03136 0.34203  0.25804  0.22241  503 HOH B O    
2958 O  O    . HOH J .  ? 0.84196 0.90748 0.79600 0.05930  -0.28804 -0.01031 504 HOH B O    
2959 O  O    . HOH J .  ? 0.95682 0.52516 0.63109 0.20179  -0.07709 0.17139  505 HOH B O    
2960 O  O    . HOH J .  ? 0.55468 0.73521 0.54856 -0.26721 -0.16462 0.07006  506 HOH B O    
# 
