data_9KRD
# 
_entry.id   9KRD 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   9KRD         pdb_00009krd 10.2210/pdb9krd/pdb 
WWPDB D_1300053922 ?            ?                   
# 
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 2025-01-29 
2 'Structure model' 1 1 2025-02-05 
# 
_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.pdbx_database_id_PubMed' 
2 2 'Structure model' '_citation.title'                   
3 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                        9KRD 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-27 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9KRC 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              pengcao@bjut.edu.cn 
_pdbx_contact_author.name_first         Peng 
_pdbx_contact_author.name_last          Cao 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4616-5914 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zhang, B.T.' 1 ? 
'Liu, S.W.'   2 ? 
'Xu, Y.C.'    3 ? 
'Sheng, W.'   4 ? 
'Gong, Y.'    5 ? 
'Cao, P.'     6 ? 
# 
_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                   CH 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Int J Mol Sci' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1422-0067 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            26 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'A High-Resolution Crystallographic Study of Cytochrome c6: Structural Basis for Electron Transfer in Cyanobacterial Photosynthesis.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.3390/ijms26020824 
_citation.pdbx_database_id_PubMed   39859539 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zhang, B.' 1  ?                   
primary 'Xu, Y.'    2  0000-0002-1671-6156 
primary 'Liu, S.'   3  ?                   
primary 'Chen, S.'  4  ?                   
primary 'Zhao, W.'  5  ?                   
primary 'Li, Z.'    6  ?                   
primary 'Wang, J.'  7  ?                   
primary 'Zhao, W.'  8  0000-0002-3236-8892 
primary 'Zhang, H.' 9  ?                   
primary 'Dong, Y.'  10 ?                   
primary 'Gong, Y.'  11 0000-0002-4294-964X 
primary 'Sheng, W.' 12 ?                   
primary 'Cao, P.'   13 0000-0002-4616-5914 
# 
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 'Cytochrome c6' 9106.059 4   ? ? ? ? 
2 non-polymer syn 'HEME C'        618.503  4   ? ? ? ? 
3 non-polymer syn 'SULFATE ION'   96.063   3   ? ? ? ? 
4 water       nat water           18.015   488 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Cytochrome c-553,Cytochrome c553,Soluble cytochrome f' 
# 
_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       
;GSADLAHGGQVFSANCAACHLGGRNVVNPAKTLQKADLDQYGMASIEAITTQVTNGKGAMPAFGSKLSADDIADVASYVL
DQSEKGWQG
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSADLAHGGQVFSANCAACHLGGRNVVNPAKTLQKADLDQYGMASIEAITTQVTNGKGAMPAFGSKLSADDIADVASYVL
DQSEKGWQG
;
_entity_poly.pdbx_strand_id                 A,B,C,D 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'HEME C'      HEC 
3 'SULFATE ION' SO4 
4 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  SER n 
1 3  ALA n 
1 4  ASP n 
1 5  LEU n 
1 6  ALA n 
1 7  HIS n 
1 8  GLY n 
1 9  GLY n 
1 10 GLN n 
1 11 VAL n 
1 12 PHE n 
1 13 SER n 
1 14 ALA n 
1 15 ASN n 
1 16 CYS n 
1 17 ALA n 
1 18 ALA n 
1 19 CYS n 
1 20 HIS n 
1 21 LEU n 
1 22 GLY n 
1 23 GLY n 
1 24 ARG n 
1 25 ASN n 
1 26 VAL n 
1 27 VAL n 
1 28 ASN n 
1 29 PRO n 
1 30 ALA n 
1 31 LYS n 
1 32 THR n 
1 33 LEU n 
1 34 GLN n 
1 35 LYS n 
1 36 ALA n 
1 37 ASP n 
1 38 LEU n 
1 39 ASP n 
1 40 GLN n 
1 41 TYR n 
1 42 GLY n 
1 43 MET n 
1 44 ALA n 
1 45 SER n 
1 46 ILE n 
1 47 GLU n 
1 48 ALA n 
1 49 ILE n 
1 50 THR n 
1 51 THR n 
1 52 GLN n 
1 53 VAL n 
1 54 THR n 
1 55 ASN n 
1 56 GLY n 
1 57 LYS n 
1 58 GLY n 
1 59 ALA n 
1 60 MET n 
1 61 PRO n 
1 62 ALA n 
1 63 PHE n 
1 64 GLY n 
1 65 SER n 
1 66 LYS n 
1 67 LEU n 
1 68 SER n 
1 69 ALA n 
1 70 ASP n 
1 71 ASP n 
1 72 ILE n 
1 73 ALA n 
1 74 ASP n 
1 75 VAL n 
1 76 ALA n 
1 77 SER n 
1 78 TYR n 
1 79 VAL n 
1 80 LEU n 
1 81 ASP n 
1 82 GLN n 
1 83 SER n 
1 84 GLU n 
1 85 LYS n 
1 86 GLY n 
1 87 TRP n 
1 88 GLN n 
1 89 GLY 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                   89 
_entity_src_gen.gene_src_common_name               'Anacystis nidulans R2' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'petJ, cytA, Synpcc7942_1630' 
_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      'Synechococcus elongatus PCC 7942 = FACHB-805' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1140 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'       89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1'   175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'      132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'       133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'     121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'     146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'       75.067  
HEC non-polymer         . 'HEME C'        ? 'C34 H34 Fe N4 O4' 618.503 
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1'   156.162 
HOH non-polymer         . WATER           ? 'H2 O'             18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'      131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'      131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1'   147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'    149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'      165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'       115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'       105.093 
SO4 non-polymer         . 'SULFATE ION'   ? 'O4 S -2'          96.063  
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'       119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'    204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'      181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'      117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  -1 -1 GLY GLY A . n 
A 1 2  SER 2  0  0  SER SER A . n 
A 1 3  ALA 3  1  1  ALA ALA A . n 
A 1 4  ASP 4  2  2  ASP ASP A . n 
A 1 5  LEU 5  3  3  LEU LEU A . n 
A 1 6  ALA 6  4  4  ALA ALA A . n 
A 1 7  HIS 7  5  5  HIS HIS A . n 
A 1 8  GLY 8  6  6  GLY GLY A . n 
A 1 9  GLY 9  7  7  GLY GLY A . n 
A 1 10 GLN 10 8  8  GLN GLN A . n 
A 1 11 VAL 11 9  9  VAL VAL A . n 
A 1 12 PHE 12 10 10 PHE PHE A . n 
A 1 13 SER 13 11 11 SER SER A . n 
A 1 14 ALA 14 12 12 ALA ALA A . n 
A 1 15 ASN 15 13 13 ASN ASN A . n 
A 1 16 CYS 16 14 14 CYS CYS A . n 
A 1 17 ALA 17 15 15 ALA ALA A . n 
A 1 18 ALA 18 16 16 ALA ALA A . n 
A 1 19 CYS 19 17 17 CYS CYS A . n 
A 1 20 HIS 20 18 18 HIS HIS A . n 
A 1 21 LEU 21 19 19 LEU LEU A . n 
A 1 22 GLY 22 20 20 GLY GLY A . n 
A 1 23 GLY 23 21 21 GLY GLY A . n 
A 1 24 ARG 24 22 22 ARG ARG A . n 
A 1 25 ASN 25 23 23 ASN ASN A . n 
A 1 26 VAL 26 24 24 VAL VAL A . n 
A 1 27 VAL 27 25 25 VAL VAL A . n 
A 1 28 ASN 28 26 26 ASN ASN A . n 
A 1 29 PRO 29 27 27 PRO PRO A . n 
A 1 30 ALA 30 28 28 ALA ALA A . n 
A 1 31 LYS 31 29 29 LYS LYS A . n 
A 1 32 THR 32 30 30 THR THR A . n 
A 1 33 LEU 33 31 31 LEU LEU A . n 
A 1 34 GLN 34 32 32 GLN GLN A . n 
A 1 35 LYS 35 33 33 LYS LYS A . n 
A 1 36 ALA 36 34 34 ALA ALA A . n 
A 1 37 ASP 37 35 35 ASP ASP A . n 
A 1 38 LEU 38 36 36 LEU LEU A . n 
A 1 39 ASP 39 37 37 ASP ASP A . n 
A 1 40 GLN 40 38 38 GLN GLN A . n 
A 1 41 TYR 41 39 39 TYR TYR A . n 
A 1 42 GLY 42 40 40 GLY GLY A . n 
A 1 43 MET 43 41 41 MET MET A . n 
A 1 44 ALA 44 42 42 ALA ALA A . n 
A 1 45 SER 45 43 43 SER SER A . n 
A 1 46 ILE 46 44 44 ILE ILE A . n 
A 1 47 GLU 47 45 45 GLU GLU A . n 
A 1 48 ALA 48 46 46 ALA ALA A . n 
A 1 49 ILE 49 47 47 ILE ILE A . n 
A 1 50 THR 50 48 48 THR THR A . n 
A 1 51 THR 51 49 49 THR THR A . n 
A 1 52 GLN 52 50 50 GLN GLN A . n 
A 1 53 VAL 53 51 51 VAL VAL A . n 
A 1 54 THR 54 52 52 THR THR A . n 
A 1 55 ASN 55 53 53 ASN ASN A . n 
A 1 56 GLY 56 54 54 GLY GLY A . n 
A 1 57 LYS 57 55 55 LYS LYS A . n 
A 1 58 GLY 58 56 56 GLY GLY A . n 
A 1 59 ALA 59 57 57 ALA ALA A . n 
A 1 60 MET 60 58 58 MET MET A . n 
A 1 61 PRO 61 59 59 PRO PRO A . n 
A 1 62 ALA 62 60 60 ALA ALA A . n 
A 1 63 PHE 63 61 61 PHE PHE A . n 
A 1 64 GLY 64 62 62 GLY GLY A . n 
A 1 65 SER 65 63 63 SER SER A . n 
A 1 66 LYS 66 64 64 LYS LYS A . n 
A 1 67 LEU 67 65 65 LEU LEU A . n 
A 1 68 SER 68 66 66 SER SER A . n 
A 1 69 ALA 69 67 67 ALA ALA A . n 
A 1 70 ASP 70 68 68 ASP ASP A . n 
A 1 71 ASP 71 69 69 ASP ASP A . n 
A 1 72 ILE 72 70 70 ILE ILE A . n 
A 1 73 ALA 73 71 71 ALA ALA A . n 
A 1 74 ASP 74 72 72 ASP ASP A . n 
A 1 75 VAL 75 73 73 VAL VAL A . n 
A 1 76 ALA 76 74 74 ALA ALA A . n 
A 1 77 SER 77 75 75 SER SER A . n 
A 1 78 TYR 78 76 76 TYR TYR A . n 
A 1 79 VAL 79 77 77 VAL VAL A . n 
A 1 80 LEU 80 78 78 LEU LEU A . n 
A 1 81 ASP 81 79 79 ASP ASP A . n 
A 1 82 GLN 82 80 80 GLN GLN A . n 
A 1 83 SER 83 81 81 SER SER A . n 
A 1 84 GLU 84 82 82 GLU GLU A . n 
A 1 85 LYS 85 83 83 LYS LYS A . n 
A 1 86 GLY 86 84 84 GLY GLY A . n 
A 1 87 TRP 87 85 85 TRP TRP A . n 
A 1 88 GLN 88 86 86 GLN GLN A . n 
A 1 89 GLY 89 87 87 GLY GLY A . n 
B 1 1  GLY 1  -1 -1 GLY GLY B . n 
B 1 2  SER 2  0  0  SER SER B . n 
B 1 3  ALA 3  1  1  ALA ALA B . n 
B 1 4  ASP 4  2  2  ASP ASP B . n 
B 1 5  LEU 5  3  3  LEU LEU B . n 
B 1 6  ALA 6  4  4  ALA ALA B . n 
B 1 7  HIS 7  5  5  HIS HIS B . n 
B 1 8  GLY 8  6  6  GLY GLY B . n 
B 1 9  GLY 9  7  7  GLY GLY B . n 
B 1 10 GLN 10 8  8  GLN GLN B . n 
B 1 11 VAL 11 9  9  VAL VAL B . n 
B 1 12 PHE 12 10 10 PHE PHE B . n 
B 1 13 SER 13 11 11 SER SER B . n 
B 1 14 ALA 14 12 12 ALA ALA B . n 
B 1 15 ASN 15 13 13 ASN ASN B . n 
B 1 16 CYS 16 14 14 CYS CYS B . n 
B 1 17 ALA 17 15 15 ALA ALA B . n 
B 1 18 ALA 18 16 16 ALA ALA B . n 
B 1 19 CYS 19 17 17 CYS CYS B . n 
B 1 20 HIS 20 18 18 HIS HIS B . n 
B 1 21 LEU 21 19 19 LEU LEU B . n 
B 1 22 GLY 22 20 20 GLY GLY B . n 
B 1 23 GLY 23 21 21 GLY GLY B . n 
B 1 24 ARG 24 22 22 ARG ARG B . n 
B 1 25 ASN 25 23 23 ASN ASN B . n 
B 1 26 VAL 26 24 24 VAL VAL B . n 
B 1 27 VAL 27 25 25 VAL VAL B . n 
B 1 28 ASN 28 26 26 ASN ASN B . n 
B 1 29 PRO 29 27 27 PRO PRO B . n 
B 1 30 ALA 30 28 28 ALA ALA B . n 
B 1 31 LYS 31 29 29 LYS LYS B . n 
B 1 32 THR 32 30 30 THR THR B . n 
B 1 33 LEU 33 31 31 LEU LEU B . n 
B 1 34 GLN 34 32 32 GLN GLN B . n 
B 1 35 LYS 35 33 33 LYS LYS B . n 
B 1 36 ALA 36 34 34 ALA ALA B . n 
B 1 37 ASP 37 35 35 ASP ASP B . n 
B 1 38 LEU 38 36 36 LEU LEU B . n 
B 1 39 ASP 39 37 37 ASP ASP B . n 
B 1 40 GLN 40 38 38 GLN GLN B . n 
B 1 41 TYR 41 39 39 TYR TYR B . n 
B 1 42 GLY 42 40 40 GLY GLY B . n 
B 1 43 MET 43 41 41 MET MET B . n 
B 1 44 ALA 44 42 42 ALA ALA B . n 
B 1 45 SER 45 43 43 SER SER B . n 
B 1 46 ILE 46 44 44 ILE ILE B . n 
B 1 47 GLU 47 45 45 GLU GLU B . n 
B 1 48 ALA 48 46 46 ALA ALA B . n 
B 1 49 ILE 49 47 47 ILE ILE B . n 
B 1 50 THR 50 48 48 THR THR B . n 
B 1 51 THR 51 49 49 THR THR B . n 
B 1 52 GLN 52 50 50 GLN GLN B . n 
B 1 53 VAL 53 51 51 VAL VAL B . n 
B 1 54 THR 54 52 52 THR THR B . n 
B 1 55 ASN 55 53 53 ASN ASN B . n 
B 1 56 GLY 56 54 54 GLY GLY B . n 
B 1 57 LYS 57 55 55 LYS LYS B . n 
B 1 58 GLY 58 56 56 GLY GLY B . n 
B 1 59 ALA 59 57 57 ALA ALA B . n 
B 1 60 MET 60 58 58 MET MET B . n 
B 1 61 PRO 61 59 59 PRO PRO B . n 
B 1 62 ALA 62 60 60 ALA ALA B . n 
B 1 63 PHE 63 61 61 PHE PHE B . n 
B 1 64 GLY 64 62 62 GLY GLY B . n 
B 1 65 SER 65 63 63 SER SER B . n 
B 1 66 LYS 66 64 64 LYS LYS B . n 
B 1 67 LEU 67 65 65 LEU LEU B . n 
B 1 68 SER 68 66 66 SER SER B . n 
B 1 69 ALA 69 67 67 ALA ALA B . n 
B 1 70 ASP 70 68 68 ASP ASP B . n 
B 1 71 ASP 71 69 69 ASP ASP B . n 
B 1 72 ILE 72 70 70 ILE ILE B . n 
B 1 73 ALA 73 71 71 ALA ALA B . n 
B 1 74 ASP 74 72 72 ASP ASP B . n 
B 1 75 VAL 75 73 73 VAL VAL B . n 
B 1 76 ALA 76 74 74 ALA ALA B . n 
B 1 77 SER 77 75 75 SER SER B . n 
B 1 78 TYR 78 76 76 TYR TYR B . n 
B 1 79 VAL 79 77 77 VAL VAL B . n 
B 1 80 LEU 80 78 78 LEU LEU B . n 
B 1 81 ASP 81 79 79 ASP ASP B . n 
B 1 82 GLN 82 80 80 GLN GLN B . n 
B 1 83 SER 83 81 81 SER SER B . n 
B 1 84 GLU 84 82 82 GLU GLU B . n 
B 1 85 LYS 85 83 83 LYS LYS B . n 
B 1 86 GLY 86 84 84 GLY GLY B . n 
B 1 87 TRP 87 85 85 TRP TRP B . n 
B 1 88 GLN 88 86 86 GLN GLN B . n 
B 1 89 GLY 89 87 87 GLY GLY B . n 
C 1 1  GLY 1  -1 -1 GLY GLY C . n 
C 1 2  SER 2  0  0  SER SER C . n 
C 1 3  ALA 3  1  1  ALA ALA C . n 
C 1 4  ASP 4  2  2  ASP ASP C . n 
C 1 5  LEU 5  3  3  LEU LEU C . n 
C 1 6  ALA 6  4  4  ALA ALA C . n 
C 1 7  HIS 7  5  5  HIS HIS C . n 
C 1 8  GLY 8  6  6  GLY GLY C . n 
C 1 9  GLY 9  7  7  GLY GLY C . n 
C 1 10 GLN 10 8  8  GLN GLN C . n 
C 1 11 VAL 11 9  9  VAL VAL C . n 
C 1 12 PHE 12 10 10 PHE PHE C . n 
C 1 13 SER 13 11 11 SER SER C . n 
C 1 14 ALA 14 12 12 ALA ALA C . n 
C 1 15 ASN 15 13 13 ASN ASN C . n 
C 1 16 CYS 16 14 14 CYS CYS C . n 
C 1 17 ALA 17 15 15 ALA ALA C . n 
C 1 18 ALA 18 16 16 ALA ALA C . n 
C 1 19 CYS 19 17 17 CYS CYS C . n 
C 1 20 HIS 20 18 18 HIS HIS C . n 
C 1 21 LEU 21 19 19 LEU LEU C . n 
C 1 22 GLY 22 20 20 GLY GLY C . n 
C 1 23 GLY 23 21 21 GLY GLY C . n 
C 1 24 ARG 24 22 22 ARG ARG C . n 
C 1 25 ASN 25 23 23 ASN ASN C . n 
C 1 26 VAL 26 24 24 VAL VAL C . n 
C 1 27 VAL 27 25 25 VAL VAL C . n 
C 1 28 ASN 28 26 26 ASN ASN C . n 
C 1 29 PRO 29 27 27 PRO PRO C . n 
C 1 30 ALA 30 28 28 ALA ALA C . n 
C 1 31 LYS 31 29 29 LYS LYS C . n 
C 1 32 THR 32 30 30 THR THR C . n 
C 1 33 LEU 33 31 31 LEU LEU C . n 
C 1 34 GLN 34 32 32 GLN GLN C . n 
C 1 35 LYS 35 33 33 LYS LYS C . n 
C 1 36 ALA 36 34 34 ALA ALA C . n 
C 1 37 ASP 37 35 35 ASP ASP C . n 
C 1 38 LEU 38 36 36 LEU LEU C . n 
C 1 39 ASP 39 37 37 ASP ASP C . n 
C 1 40 GLN 40 38 38 GLN GLN C . n 
C 1 41 TYR 41 39 39 TYR TYR C . n 
C 1 42 GLY 42 40 40 GLY GLY C . n 
C 1 43 MET 43 41 41 MET MET C . n 
C 1 44 ALA 44 42 42 ALA ALA C . n 
C 1 45 SER 45 43 43 SER SER C . n 
C 1 46 ILE 46 44 44 ILE ILE C . n 
C 1 47 GLU 47 45 45 GLU GLU C . n 
C 1 48 ALA 48 46 46 ALA ALA C . n 
C 1 49 ILE 49 47 47 ILE ILE C . n 
C 1 50 THR 50 48 48 THR THR C . n 
C 1 51 THR 51 49 49 THR THR C . n 
C 1 52 GLN 52 50 50 GLN GLN C . n 
C 1 53 VAL 53 51 51 VAL VAL C . n 
C 1 54 THR 54 52 52 THR THR C . n 
C 1 55 ASN 55 53 53 ASN ASN C . n 
C 1 56 GLY 56 54 54 GLY GLY C . n 
C 1 57 LYS 57 55 55 LYS LYS C . n 
C 1 58 GLY 58 56 56 GLY GLY C . n 
C 1 59 ALA 59 57 57 ALA ALA C . n 
C 1 60 MET 60 58 58 MET MET C . n 
C 1 61 PRO 61 59 59 PRO PRO C . n 
C 1 62 ALA 62 60 60 ALA ALA C . n 
C 1 63 PHE 63 61 61 PHE PHE C . n 
C 1 64 GLY 64 62 62 GLY GLY C . n 
C 1 65 SER 65 63 63 SER SER C . n 
C 1 66 LYS 66 64 64 LYS LYS C . n 
C 1 67 LEU 67 65 65 LEU LEU C . n 
C 1 68 SER 68 66 66 SER SER C . n 
C 1 69 ALA 69 67 67 ALA ALA C . n 
C 1 70 ASP 70 68 68 ASP ASP C . n 
C 1 71 ASP 71 69 69 ASP ASP C . n 
C 1 72 ILE 72 70 70 ILE ILE C . n 
C 1 73 ALA 73 71 71 ALA ALA C . n 
C 1 74 ASP 74 72 72 ASP ASP C . n 
C 1 75 VAL 75 73 73 VAL VAL C . n 
C 1 76 ALA 76 74 74 ALA ALA C . n 
C 1 77 SER 77 75 75 SER SER C . n 
C 1 78 TYR 78 76 76 TYR TYR C . n 
C 1 79 VAL 79 77 77 VAL VAL C . n 
C 1 80 LEU 80 78 78 LEU LEU C . n 
C 1 81 ASP 81 79 79 ASP ASP C . n 
C 1 82 GLN 82 80 80 GLN GLN C . n 
C 1 83 SER 83 81 81 SER SER C . n 
C 1 84 GLU 84 82 82 GLU GLU C . n 
C 1 85 LYS 85 83 83 LYS LYS C . n 
C 1 86 GLY 86 84 84 GLY GLY C . n 
C 1 87 TRP 87 85 85 TRP TRP C . n 
C 1 88 GLN 88 86 86 GLN GLN C . n 
C 1 89 GLY 89 87 ?  ?   ?   C . n 
D 1 1  GLY 1  -1 -1 GLY GLY D . n 
D 1 2  SER 2  0  0  SER SER D . n 
D 1 3  ALA 3  1  1  ALA ALA D . n 
D 1 4  ASP 4  2  2  ASP ASP D . n 
D 1 5  LEU 5  3  3  LEU LEU D . n 
D 1 6  ALA 6  4  4  ALA ALA D . n 
D 1 7  HIS 7  5  5  HIS HIS D . n 
D 1 8  GLY 8  6  6  GLY GLY D . n 
D 1 9  GLY 9  7  7  GLY GLY D . n 
D 1 10 GLN 10 8  8  GLN GLN D . n 
D 1 11 VAL 11 9  9  VAL VAL D . n 
D 1 12 PHE 12 10 10 PHE PHE D . n 
D 1 13 SER 13 11 11 SER SER D . n 
D 1 14 ALA 14 12 12 ALA ALA D . n 
D 1 15 ASN 15 13 13 ASN ASN D . n 
D 1 16 CYS 16 14 14 CYS CYS D . n 
D 1 17 ALA 17 15 15 ALA ALA D . n 
D 1 18 ALA 18 16 16 ALA ALA D . n 
D 1 19 CYS 19 17 17 CYS CYS D . n 
D 1 20 HIS 20 18 18 HIS HIS D . n 
D 1 21 LEU 21 19 19 LEU LEU D . n 
D 1 22 GLY 22 20 20 GLY GLY D . n 
D 1 23 GLY 23 21 21 GLY GLY D . n 
D 1 24 ARG 24 22 22 ARG ARG D . n 
D 1 25 ASN 25 23 23 ASN ASN D . n 
D 1 26 VAL 26 24 24 VAL VAL D . n 
D 1 27 VAL 27 25 25 VAL VAL D . n 
D 1 28 ASN 28 26 26 ASN ASN D . n 
D 1 29 PRO 29 27 27 PRO PRO D . n 
D 1 30 ALA 30 28 28 ALA ALA D . n 
D 1 31 LYS 31 29 29 LYS LYS D . n 
D 1 32 THR 32 30 30 THR THR D . n 
D 1 33 LEU 33 31 31 LEU LEU D . n 
D 1 34 GLN 34 32 32 GLN GLN D . n 
D 1 35 LYS 35 33 33 LYS LYS D . n 
D 1 36 ALA 36 34 34 ALA ALA D . n 
D 1 37 ASP 37 35 35 ASP ASP D . n 
D 1 38 LEU 38 36 36 LEU LEU D . n 
D 1 39 ASP 39 37 37 ASP ASP D . n 
D 1 40 GLN 40 38 38 GLN GLN D . n 
D 1 41 TYR 41 39 39 TYR TYR D . n 
D 1 42 GLY 42 40 40 GLY GLY D . n 
D 1 43 MET 43 41 41 MET MET D . n 
D 1 44 ALA 44 42 42 ALA ALA D . n 
D 1 45 SER 45 43 43 SER SER D . n 
D 1 46 ILE 46 44 44 ILE ILE D . n 
D 1 47 GLU 47 45 45 GLU GLU D . n 
D 1 48 ALA 48 46 46 ALA ALA D . n 
D 1 49 ILE 49 47 47 ILE ILE D . n 
D 1 50 THR 50 48 48 THR THR D . n 
D 1 51 THR 51 49 49 THR THR D . n 
D 1 52 GLN 52 50 50 GLN GLN D . n 
D 1 53 VAL 53 51 51 VAL VAL D . n 
D 1 54 THR 54 52 52 THR THR D . n 
D 1 55 ASN 55 53 53 ASN ASN D . n 
D 1 56 GLY 56 54 54 GLY GLY D . n 
D 1 57 LYS 57 55 55 LYS LYS D . n 
D 1 58 GLY 58 56 56 GLY GLY D . n 
D 1 59 ALA 59 57 57 ALA ALA D . n 
D 1 60 MET 60 58 58 MET MET D . n 
D 1 61 PRO 61 59 59 PRO PRO D . n 
D 1 62 ALA 62 60 60 ALA ALA D . n 
D 1 63 PHE 63 61 61 PHE PHE D . n 
D 1 64 GLY 64 62 62 GLY GLY D . n 
D 1 65 SER 65 63 63 SER SER D . n 
D 1 66 LYS 66 64 64 LYS LYS D . n 
D 1 67 LEU 67 65 65 LEU LEU D . n 
D 1 68 SER 68 66 66 SER SER D . n 
D 1 69 ALA 69 67 67 ALA ALA D . n 
D 1 70 ASP 70 68 68 ASP ASP D . n 
D 1 71 ASP 71 69 69 ASP ASP D . n 
D 1 72 ILE 72 70 70 ILE ILE D . n 
D 1 73 ALA 73 71 71 ALA ALA D . n 
D 1 74 ASP 74 72 72 ASP ASP D . n 
D 1 75 VAL 75 73 73 VAL VAL D . n 
D 1 76 ALA 76 74 74 ALA ALA D . n 
D 1 77 SER 77 75 75 SER SER D . n 
D 1 78 TYR 78 76 76 TYR TYR D . n 
D 1 79 VAL 79 77 77 VAL VAL D . n 
D 1 80 LEU 80 78 78 LEU LEU D . n 
D 1 81 ASP 81 79 79 ASP ASP D . n 
D 1 82 GLN 82 80 80 GLN GLN D . n 
D 1 83 SER 83 81 81 SER SER D . n 
D 1 84 GLU 84 82 82 GLU GLU D . n 
D 1 85 LYS 85 83 83 LYS LYS D . n 
D 1 86 GLY 86 84 84 GLY GLY D . n 
D 1 87 TRP 87 85 85 TRP TRP D . n 
D 1 88 GLN 88 86 ?  ?   ?   D . n 
D 1 89 GLY 89 87 ?  ?   ?   D . 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 
E 2 HEC 1   101 777 HEC HEC A . 
F 3 SO4 1   102 881 SO4 SO4 A . 
G 2 HEC 1   101 777 HEC HEC B . 
H 3 SO4 1   102 880 SO4 SO4 B . 
I 2 HEC 1   101 777 HEC HEC C . 
J 2 HEC 1   101 777 HEC HEC D . 
K 3 SO4 1   102 881 SO4 SO4 D . 
L 4 HOH 1   201 371 HOH HOH A . 
L 4 HOH 2   202 166 HOH HOH A . 
L 4 HOH 3   203 453 HOH HOH A . 
L 4 HOH 4   204 249 HOH HOH A . 
L 4 HOH 5   205 339 HOH HOH A . 
L 4 HOH 6   206 74  HOH HOH A . 
L 4 HOH 7   207 59  HOH HOH A . 
L 4 HOH 8   208 167 HOH HOH A . 
L 4 HOH 9   209 186 HOH HOH A . 
L 4 HOH 10  210 105 HOH HOH A . 
L 4 HOH 11  211 333 HOH HOH A . 
L 4 HOH 12  212 397 HOH HOH A . 
L 4 HOH 13  213 366 HOH HOH A . 
L 4 HOH 14  214 153 HOH HOH A . 
L 4 HOH 15  215 103 HOH HOH A . 
L 4 HOH 16  216 238 HOH HOH A . 
L 4 HOH 17  217 128 HOH HOH A . 
L 4 HOH 18  218 24  HOH HOH A . 
L 4 HOH 19  219 380 HOH HOH A . 
L 4 HOH 20  220 352 HOH HOH A . 
L 4 HOH 21  221 29  HOH HOH A . 
L 4 HOH 22  222 40  HOH HOH A . 
L 4 HOH 23  223 285 HOH HOH A . 
L 4 HOH 24  224 343 HOH HOH A . 
L 4 HOH 25  225 187 HOH HOH A . 
L 4 HOH 26  226 73  HOH HOH A . 
L 4 HOH 27  227 21  HOH HOH A . 
L 4 HOH 28  228 170 HOH HOH A . 
L 4 HOH 29  229 35  HOH HOH A . 
L 4 HOH 30  230 165 HOH HOH A . 
L 4 HOH 31  231 313 HOH HOH A . 
L 4 HOH 32  232 132 HOH HOH A . 
L 4 HOH 33  233 364 HOH HOH A . 
L 4 HOH 34  234 86  HOH HOH A . 
L 4 HOH 35  235 28  HOH HOH A . 
L 4 HOH 36  236 131 HOH HOH A . 
L 4 HOH 37  237 312 HOH HOH A . 
L 4 HOH 38  238 71  HOH HOH A . 
L 4 HOH 39  239 296 HOH HOH A . 
L 4 HOH 40  240 72  HOH HOH A . 
L 4 HOH 41  241 5   HOH HOH A . 
L 4 HOH 42  242 482 HOH HOH A . 
L 4 HOH 43  243 41  HOH HOH A . 
L 4 HOH 44  244 53  HOH HOH A . 
L 4 HOH 45  245 16  HOH HOH A . 
L 4 HOH 46  246 480 HOH HOH A . 
L 4 HOH 47  247 414 HOH HOH A . 
L 4 HOH 48  248 270 HOH HOH A . 
L 4 HOH 49  249 56  HOH HOH A . 
L 4 HOH 50  250 126 HOH HOH A . 
L 4 HOH 51  251 3   HOH HOH A . 
L 4 HOH 52  252 276 HOH HOH A . 
L 4 HOH 53  253 484 HOH HOH A . 
L 4 HOH 54  254 158 HOH HOH A . 
L 4 HOH 55  255 77  HOH HOH A . 
L 4 HOH 56  256 119 HOH HOH A . 
L 4 HOH 57  257 113 HOH HOH A . 
L 4 HOH 58  258 236 HOH HOH A . 
L 4 HOH 59  259 78  HOH HOH A . 
L 4 HOH 60  260 52  HOH HOH A . 
L 4 HOH 61  261 286 HOH HOH A . 
L 4 HOH 62  262 15  HOH HOH A . 
L 4 HOH 63  263 27  HOH HOH A . 
L 4 HOH 64  264 62  HOH HOH A . 
L 4 HOH 65  265 8   HOH HOH A . 
L 4 HOH 66  266 382 HOH HOH A . 
L 4 HOH 67  267 351 HOH HOH A . 
L 4 HOH 68  268 171 HOH HOH A . 
L 4 HOH 69  269 410 HOH HOH A . 
L 4 HOH 70  270 277 HOH HOH A . 
L 4 HOH 71  271 221 HOH HOH A . 
L 4 HOH 72  272 225 HOH HOH A . 
L 4 HOH 73  273 37  HOH HOH A . 
L 4 HOH 74  274 315 HOH HOH A . 
L 4 HOH 75  275 123 HOH HOH A . 
L 4 HOH 76  276 31  HOH HOH A . 
L 4 HOH 77  277 66  HOH HOH A . 
L 4 HOH 78  278 83  HOH HOH A . 
L 4 HOH 79  279 175 HOH HOH A . 
L 4 HOH 80  280 110 HOH HOH A . 
L 4 HOH 81  281 349 HOH HOH A . 
L 4 HOH 82  282 174 HOH HOH A . 
L 4 HOH 83  283 501 HOH HOH A . 
L 4 HOH 84  284 381 HOH HOH A . 
L 4 HOH 85  285 426 HOH HOH A . 
L 4 HOH 86  286 133 HOH HOH A . 
L 4 HOH 87  287 495 HOH HOH A . 
L 4 HOH 88  288 356 HOH HOH A . 
L 4 HOH 89  289 369 HOH HOH A . 
L 4 HOH 90  290 209 HOH HOH A . 
L 4 HOH 91  291 32  HOH HOH A . 
L 4 HOH 92  292 288 HOH HOH A . 
L 4 HOH 93  293 247 HOH HOH A . 
L 4 HOH 94  294 76  HOH HOH A . 
L 4 HOH 95  295 261 HOH HOH A . 
L 4 HOH 96  296 246 HOH HOH A . 
L 4 HOH 97  297 435 HOH HOH A . 
L 4 HOH 98  298 114 HOH HOH A . 
L 4 HOH 99  299 177 HOH HOH A . 
L 4 HOH 100 300 329 HOH HOH A . 
L 4 HOH 101 301 502 HOH HOH A . 
L 4 HOH 102 302 374 HOH HOH A . 
L 4 HOH 103 303 405 HOH HOH A . 
L 4 HOH 104 304 429 HOH HOH A . 
L 4 HOH 105 305 183 HOH HOH A . 
L 4 HOH 106 306 316 HOH HOH A . 
L 4 HOH 107 307 509 HOH HOH A . 
L 4 HOH 108 308 367 HOH HOH A . 
L 4 HOH 109 309 365 HOH HOH A . 
L 4 HOH 110 310 447 HOH HOH A . 
L 4 HOH 111 311 263 HOH HOH A . 
L 4 HOH 112 312 415 HOH HOH A . 
L 4 HOH 113 313 96  HOH HOH A . 
L 4 HOH 114 314 451 HOH HOH A . 
L 4 HOH 115 315 299 HOH HOH A . 
L 4 HOH 116 316 101 HOH HOH A . 
L 4 HOH 117 317 310 HOH HOH A . 
L 4 HOH 118 318 191 HOH HOH A . 
L 4 HOH 119 319 479 HOH HOH A . 
L 4 HOH 120 320 401 HOH HOH A . 
L 4 HOH 121 321 500 HOH HOH A . 
L 4 HOH 122 322 387 HOH HOH A . 
L 4 HOH 123 323 254 HOH HOH A . 
L 4 HOH 124 324 295 HOH HOH A . 
L 4 HOH 125 325 91  HOH HOH A . 
L 4 HOH 126 326 164 HOH HOH A . 
L 4 HOH 127 327 95  HOH HOH A . 
L 4 HOH 128 328 337 HOH HOH A . 
L 4 HOH 129 329 245 HOH HOH A . 
L 4 HOH 130 330 379 HOH HOH A . 
L 4 HOH 131 331 507 HOH HOH A . 
L 4 HOH 132 332 331 HOH HOH A . 
L 4 HOH 133 333 425 HOH HOH A . 
L 4 HOH 134 334 124 HOH HOH A . 
M 4 HOH 1   201 231 HOH HOH B . 
M 4 HOH 2   202 467 HOH HOH B . 
M 4 HOH 3   203 194 HOH HOH B . 
M 4 HOH 4   204 465 HOH HOH B . 
M 4 HOH 5   205 87  HOH HOH B . 
M 4 HOH 6   206 151 HOH HOH B . 
M 4 HOH 7   207 45  HOH HOH B . 
M 4 HOH 8   208 92  HOH HOH B . 
M 4 HOH 9   209 100 HOH HOH B . 
M 4 HOH 10  210 325 HOH HOH B . 
M 4 HOH 11  211 436 HOH HOH B . 
M 4 HOH 12  212 258 HOH HOH B . 
M 4 HOH 13  213 437 HOH HOH B . 
M 4 HOH 14  214 196 HOH HOH B . 
M 4 HOH 15  215 82  HOH HOH B . 
M 4 HOH 16  216 97  HOH HOH B . 
M 4 HOH 17  217 233 HOH HOH B . 
M 4 HOH 18  218 340 HOH HOH B . 
M 4 HOH 19  219 490 HOH HOH B . 
M 4 HOH 20  220 70  HOH HOH B . 
M 4 HOH 21  221 198 HOH HOH B . 
M 4 HOH 22  222 19  HOH HOH B . 
M 4 HOH 23  223 506 HOH HOH B . 
M 4 HOH 24  224 85  HOH HOH B . 
M 4 HOH 25  225 338 HOH HOH B . 
M 4 HOH 26  226 292 HOH HOH B . 
M 4 HOH 27  227 125 HOH HOH B . 
M 4 HOH 28  228 202 HOH HOH B . 
M 4 HOH 29  229 68  HOH HOH B . 
M 4 HOH 30  230 138 HOH HOH B . 
M 4 HOH 31  231 244 HOH HOH B . 
M 4 HOH 32  232 222 HOH HOH B . 
M 4 HOH 33  233 79  HOH HOH B . 
M 4 HOH 34  234 237 HOH HOH B . 
M 4 HOH 35  235 64  HOH HOH B . 
M 4 HOH 36  236 50  HOH HOH B . 
M 4 HOH 37  237 129 HOH HOH B . 
M 4 HOH 38  238 26  HOH HOH B . 
M 4 HOH 39  239 137 HOH HOH B . 
M 4 HOH 40  240 408 HOH HOH B . 
M 4 HOH 41  241 282 HOH HOH B . 
M 4 HOH 42  242 4   HOH HOH B . 
M 4 HOH 43  243 383 HOH HOH B . 
M 4 HOH 44  244 39  HOH HOH B . 
M 4 HOH 45  245 145 HOH HOH B . 
M 4 HOH 46  246 54  HOH HOH B . 
M 4 HOH 47  247 13  HOH HOH B . 
M 4 HOH 48  248 457 HOH HOH B . 
M 4 HOH 49  249 6   HOH HOH B . 
M 4 HOH 50  250 141 HOH HOH B . 
M 4 HOH 51  251 388 HOH HOH B . 
M 4 HOH 52  252 11  HOH HOH B . 
M 4 HOH 53  253 81  HOH HOH B . 
M 4 HOH 54  254 392 HOH HOH B . 
M 4 HOH 55  255 108 HOH HOH B . 
M 4 HOH 56  256 357 HOH HOH B . 
M 4 HOH 57  257 372 HOH HOH B . 
M 4 HOH 58  258 218 HOH HOH B . 
M 4 HOH 59  259 417 HOH HOH B . 
M 4 HOH 60  260 466 HOH HOH B . 
M 4 HOH 61  261 423 HOH HOH B . 
M 4 HOH 62  262 162 HOH HOH B . 
M 4 HOH 63  263 334 HOH HOH B . 
M 4 HOH 64  264 46  HOH HOH B . 
M 4 HOH 65  265 468 HOH HOH B . 
M 4 HOH 66  266 443 HOH HOH B . 
M 4 HOH 67  267 195 HOH HOH B . 
M 4 HOH 68  268 330 HOH HOH B . 
M 4 HOH 69  269 452 HOH HOH B . 
M 4 HOH 70  270 266 HOH HOH B . 
M 4 HOH 71  271 363 HOH HOH B . 
M 4 HOH 72  272 345 HOH HOH B . 
M 4 HOH 73  273 1   HOH HOH B . 
M 4 HOH 74  274 319 HOH HOH B . 
M 4 HOH 75  275 34  HOH HOH B . 
M 4 HOH 76  276 311 HOH HOH B . 
M 4 HOH 77  277 7   HOH HOH B . 
M 4 HOH 78  278 403 HOH HOH B . 
M 4 HOH 79  279 404 HOH HOH B . 
M 4 HOH 80  280 483 HOH HOH B . 
M 4 HOH 81  281 227 HOH HOH B . 
M 4 HOH 82  282 359 HOH HOH B . 
M 4 HOH 83  283 228 HOH HOH B . 
M 4 HOH 84  284 491 HOH HOH B . 
M 4 HOH 85  285 278 HOH HOH B . 
M 4 HOH 86  286 335 HOH HOH B . 
M 4 HOH 87  287 308 HOH HOH B . 
M 4 HOH 88  288 419 HOH HOH B . 
M 4 HOH 89  289 344 HOH HOH B . 
M 4 HOH 90  290 273 HOH HOH B . 
M 4 HOH 91  291 373 HOH HOH B . 
M 4 HOH 92  292 260 HOH HOH B . 
M 4 HOH 93  293 505 HOH HOH B . 
M 4 HOH 94  294 163 HOH HOH B . 
M 4 HOH 95  295 317 HOH HOH B . 
M 4 HOH 96  296 306 HOH HOH B . 
M 4 HOH 97  297 492 HOH HOH B . 
M 4 HOH 98  298 508 HOH HOH B . 
M 4 HOH 99  299 48  HOH HOH B . 
M 4 HOH 100 300 393 HOH HOH B . 
M 4 HOH 101 301 355 HOH HOH B . 
M 4 HOH 102 302 358 HOH HOH B . 
M 4 HOH 103 303 304 HOH HOH B . 
M 4 HOH 104 304 69  HOH HOH B . 
M 4 HOH 105 305 180 HOH HOH B . 
M 4 HOH 106 306 402 HOH HOH B . 
M 4 HOH 107 307 398 HOH HOH B . 
M 4 HOH 108 308 294 HOH HOH B . 
M 4 HOH 109 309 159 HOH HOH B . 
M 4 HOH 110 310 390 HOH HOH B . 
M 4 HOH 111 311 242 HOH HOH B . 
M 4 HOH 112 312 462 HOH HOH B . 
M 4 HOH 113 313 322 HOH HOH B . 
M 4 HOH 114 314 326 HOH HOH B . 
M 4 HOH 115 315 431 HOH HOH B . 
M 4 HOH 116 316 407 HOH HOH B . 
M 4 HOH 117 317 485 HOH HOH B . 
N 4 HOH 1   201 42  HOH HOH C . 
N 4 HOH 2   202 301 HOH HOH C . 
N 4 HOH 3   203 413 HOH HOH C . 
N 4 HOH 4   204 234 HOH HOH C . 
N 4 HOH 5   205 464 HOH HOH C . 
N 4 HOH 6   206 80  HOH HOH C . 
N 4 HOH 7   207 99  HOH HOH C . 
N 4 HOH 8   208 248 HOH HOH C . 
N 4 HOH 9   209 255 HOH HOH C . 
N 4 HOH 10  210 107 HOH HOH C . 
N 4 HOH 11  211 94  HOH HOH C . 
N 4 HOH 12  212 400 HOH HOH C . 
N 4 HOH 13  213 51  HOH HOH C . 
N 4 HOH 14  214 65  HOH HOH C . 
N 4 HOH 15  215 115 HOH HOH C . 
N 4 HOH 16  216 230 HOH HOH C . 
N 4 HOH 17  217 336 HOH HOH C . 
N 4 HOH 18  218 239 HOH HOH C . 
N 4 HOH 19  219 44  HOH HOH C . 
N 4 HOH 20  220 168 HOH HOH C . 
N 4 HOH 21  221 179 HOH HOH C . 
N 4 HOH 22  222 232 HOH HOH C . 
N 4 HOH 23  223 396 HOH HOH C . 
N 4 HOH 24  224 18  HOH HOH C . 
N 4 HOH 25  225 307 HOH HOH C . 
N 4 HOH 26  226 136 HOH HOH C . 
N 4 HOH 27  227 422 HOH HOH C . 
N 4 HOH 28  228 121 HOH HOH C . 
N 4 HOH 29  229 267 HOH HOH C . 
N 4 HOH 30  230 173 HOH HOH C . 
N 4 HOH 31  231 215 HOH HOH C . 
N 4 HOH 32  232 146 HOH HOH C . 
N 4 HOH 33  233 212 HOH HOH C . 
N 4 HOH 34  234 104 HOH HOH C . 
N 4 HOH 35  235 111 HOH HOH C . 
N 4 HOH 36  236 60  HOH HOH C . 
N 4 HOH 37  237 300 HOH HOH C . 
N 4 HOH 38  238 112 HOH HOH C . 
N 4 HOH 39  239 134 HOH HOH C . 
N 4 HOH 40  240 117 HOH HOH C . 
N 4 HOH 41  241 432 HOH HOH C . 
N 4 HOH 42  242 157 HOH HOH C . 
N 4 HOH 43  243 169 HOH HOH C . 
N 4 HOH 44  244 9   HOH HOH C . 
N 4 HOH 45  245 58  HOH HOH C . 
N 4 HOH 46  246 240 HOH HOH C . 
N 4 HOH 47  247 268 HOH HOH C . 
N 4 HOH 48  248 84  HOH HOH C . 
N 4 HOH 49  249 199 HOH HOH C . 
N 4 HOH 50  250 427 HOH HOH C . 
N 4 HOH 51  251 204 HOH HOH C . 
N 4 HOH 52  252 428 HOH HOH C . 
N 4 HOH 53  253 49  HOH HOH C . 
N 4 HOH 54  254 272 HOH HOH C . 
N 4 HOH 55  255 10  HOH HOH C . 
N 4 HOH 56  256 433 HOH HOH C . 
N 4 HOH 57  257 486 HOH HOH C . 
N 4 HOH 58  258 88  HOH HOH C . 
N 4 HOH 59  259 200 HOH HOH C . 
N 4 HOH 60  260 411 HOH HOH C . 
N 4 HOH 61  261 161 HOH HOH C . 
N 4 HOH 62  262 223 HOH HOH C . 
N 4 HOH 63  263 384 HOH HOH C . 
N 4 HOH 64  264 25  HOH HOH C . 
N 4 HOH 65  265 147 HOH HOH C . 
N 4 HOH 66  266 14  HOH HOH C . 
N 4 HOH 67  267 106 HOH HOH C . 
N 4 HOH 68  268 61  HOH HOH C . 
N 4 HOH 69  269 348 HOH HOH C . 
N 4 HOH 70  270 488 HOH HOH C . 
N 4 HOH 71  271 211 HOH HOH C . 
N 4 HOH 72  272 439 HOH HOH C . 
N 4 HOH 73  273 377 HOH HOH C . 
N 4 HOH 74  274 424 HOH HOH C . 
N 4 HOH 75  275 391 HOH HOH C . 
N 4 HOH 76  276 182 HOH HOH C . 
N 4 HOH 77  277 142 HOH HOH C . 
N 4 HOH 78  278 318 HOH HOH C . 
N 4 HOH 79  279 185 HOH HOH C . 
N 4 HOH 80  280 2   HOH HOH C . 
N 4 HOH 81  281 487 HOH HOH C . 
N 4 HOH 82  282 503 HOH HOH C . 
N 4 HOH 83  283 470 HOH HOH C . 
N 4 HOH 84  284 476 HOH HOH C . 
N 4 HOH 85  285 481 HOH HOH C . 
N 4 HOH 86  286 287 HOH HOH C . 
N 4 HOH 87  287 280 HOH HOH C . 
N 4 HOH 88  288 291 HOH HOH C . 
N 4 HOH 89  289 420 HOH HOH C . 
N 4 HOH 90  290 461 HOH HOH C . 
N 4 HOH 91  291 332 HOH HOH C . 
N 4 HOH 92  292 475 HOH HOH C . 
N 4 HOH 93  293 442 HOH HOH C . 
N 4 HOH 94  294 75  HOH HOH C . 
N 4 HOH 95  295 376 HOH HOH C . 
N 4 HOH 96  296 350 HOH HOH C . 
N 4 HOH 97  297 283 HOH HOH C . 
N 4 HOH 98  298 205 HOH HOH C . 
N 4 HOH 99  299 471 HOH HOH C . 
N 4 HOH 100 300 354 HOH HOH C . 
N 4 HOH 101 301 181 HOH HOH C . 
N 4 HOH 102 302 454 HOH HOH C . 
N 4 HOH 103 303 361 HOH HOH C . 
N 4 HOH 104 304 250 HOH HOH C . 
N 4 HOH 105 305 109 HOH HOH C . 
N 4 HOH 106 306 251 HOH HOH C . 
N 4 HOH 107 307 220 HOH HOH C . 
N 4 HOH 108 308 284 HOH HOH C . 
N 4 HOH 109 309 504 HOH HOH C . 
N 4 HOH 110 310 445 HOH HOH C . 
O 4 HOH 1   201 370 HOH HOH D . 
O 4 HOH 2   202 256 HOH HOH D . 
O 4 HOH 3   203 375 HOH HOH D . 
O 4 HOH 4   204 499 HOH HOH D . 
O 4 HOH 5   205 140 HOH HOH D . 
O 4 HOH 6   206 127 HOH HOH D . 
O 4 HOH 7   207 214 HOH HOH D . 
O 4 HOH 8   208 321 HOH HOH D . 
O 4 HOH 9   209 459 HOH HOH D . 
O 4 HOH 10  210 102 HOH HOH D . 
O 4 HOH 11  211 229 HOH HOH D . 
O 4 HOH 12  212 262 HOH HOH D . 
O 4 HOH 13  213 90  HOH HOH D . 
O 4 HOH 14  214 219 HOH HOH D . 
O 4 HOH 15  215 302 HOH HOH D . 
O 4 HOH 16  216 193 HOH HOH D . 
O 4 HOH 17  217 406 HOH HOH D . 
O 4 HOH 18  218 189 HOH HOH D . 
O 4 HOH 19  219 89  HOH HOH D . 
O 4 HOH 20  220 67  HOH HOH D . 
O 4 HOH 21  221 143 HOH HOH D . 
O 4 HOH 22  222 253 HOH HOH D . 
O 4 HOH 23  223 118 HOH HOH D . 
O 4 HOH 24  224 324 HOH HOH D . 
O 4 HOH 25  225 264 HOH HOH D . 
O 4 HOH 26  226 449 HOH HOH D . 
O 4 HOH 27  227 120 HOH HOH D . 
O 4 HOH 28  228 386 HOH HOH D . 
O 4 HOH 29  229 33  HOH HOH D . 
O 4 HOH 30  230 213 HOH HOH D . 
O 4 HOH 31  231 22  HOH HOH D . 
O 4 HOH 32  232 207 HOH HOH D . 
O 4 HOH 33  233 394 HOH HOH D . 
O 4 HOH 34  234 148 HOH HOH D . 
O 4 HOH 35  235 224 HOH HOH D . 
O 4 HOH 36  236 176 HOH HOH D . 
O 4 HOH 37  237 98  HOH HOH D . 
O 4 HOH 38  238 188 HOH HOH D . 
O 4 HOH 39  239 378 HOH HOH D . 
O 4 HOH 40  240 327 HOH HOH D . 
O 4 HOH 41  241 43  HOH HOH D . 
O 4 HOH 42  242 57  HOH HOH D . 
O 4 HOH 43  243 217 HOH HOH D . 
O 4 HOH 44  244 197 HOH HOH D . 
O 4 HOH 45  245 203 HOH HOH D . 
O 4 HOH 46  246 206 HOH HOH D . 
O 4 HOH 47  247 241 HOH HOH D . 
O 4 HOH 48  248 30  HOH HOH D . 
O 4 HOH 49  249 93  HOH HOH D . 
O 4 HOH 50  250 38  HOH HOH D . 
O 4 HOH 51  251 347 HOH HOH D . 
O 4 HOH 52  252 12  HOH HOH D . 
O 4 HOH 53  253 275 HOH HOH D . 
O 4 HOH 54  254 116 HOH HOH D . 
O 4 HOH 55  255 55  HOH HOH D . 
O 4 HOH 56  256 135 HOH HOH D . 
O 4 HOH 57  257 139 HOH HOH D . 
O 4 HOH 58  258 216 HOH HOH D . 
O 4 HOH 59  259 409 HOH HOH D . 
O 4 HOH 60  260 309 HOH HOH D . 
O 4 HOH 61  261 160 HOH HOH D . 
O 4 HOH 62  262 190 HOH HOH D . 
O 4 HOH 63  263 47  HOH HOH D . 
O 4 HOH 64  264 395 HOH HOH D . 
O 4 HOH 65  265 297 HOH HOH D . 
O 4 HOH 66  266 192 HOH HOH D . 
O 4 HOH 67  267 226 HOH HOH D . 
O 4 HOH 68  268 63  HOH HOH D . 
O 4 HOH 69  269 210 HOH HOH D . 
O 4 HOH 70  270 150 HOH HOH D . 
O 4 HOH 71  271 472 HOH HOH D . 
O 4 HOH 72  272 20  HOH HOH D . 
O 4 HOH 73  273 274 HOH HOH D . 
O 4 HOH 74  274 36  HOH HOH D . 
O 4 HOH 75  275 17  HOH HOH D . 
O 4 HOH 76  276 235 HOH HOH D . 
O 4 HOH 77  277 441 HOH HOH D . 
O 4 HOH 78  278 489 HOH HOH D . 
O 4 HOH 79  279 243 HOH HOH D . 
O 4 HOH 80  280 23  HOH HOH D . 
O 4 HOH 81  281 385 HOH HOH D . 
O 4 HOH 82  282 154 HOH HOH D . 
O 4 HOH 83  283 257 HOH HOH D . 
O 4 HOH 84  284 265 HOH HOH D . 
O 4 HOH 85  285 434 HOH HOH D . 
O 4 HOH 86  286 456 HOH HOH D . 
O 4 HOH 87  287 399 HOH HOH D . 
O 4 HOH 88  288 314 HOH HOH D . 
O 4 HOH 89  289 178 HOH HOH D . 
O 4 HOH 90  290 281 HOH HOH D . 
O 4 HOH 91  291 446 HOH HOH D . 
O 4 HOH 92  292 298 HOH HOH D . 
O 4 HOH 93  293 478 HOH HOH D . 
O 4 HOH 94  294 269 HOH HOH D . 
O 4 HOH 95  295 346 HOH HOH D . 
O 4 HOH 96  296 418 HOH HOH D . 
O 4 HOH 97  297 474 HOH HOH D . 
O 4 HOH 98  298 293 HOH HOH D . 
O 4 HOH 99  299 450 HOH HOH D . 
O 4 HOH 100 300 416 HOH HOH D . 
O 4 HOH 101 301 208 HOH HOH D . 
O 4 HOH 102 302 353 HOH HOH D . 
O 4 HOH 103 303 368 HOH HOH D . 
O 4 HOH 104 304 155 HOH HOH D . 
O 4 HOH 105 305 305 HOH HOH D . 
O 4 HOH 106 306 303 HOH HOH D . 
O 4 HOH 107 307 130 HOH HOH D . 
O 4 HOH 108 308 172 HOH HOH D . 
O 4 HOH 109 309 122 HOH HOH D . 
O 4 HOH 110 310 342 HOH HOH D . 
O 4 HOH 111 311 152 HOH HOH D . 
O 4 HOH 112 312 252 HOH HOH D . 
O 4 HOH 113 313 341 HOH HOH D . 
O 4 HOH 114 314 448 HOH HOH D . 
O 4 HOH 115 315 497 HOH HOH D . 
O 4 HOH 116 316 201 HOH HOH D . 
O 4 HOH 117 317 279 HOH HOH D . 
O 4 HOH 118 318 156 HOH HOH D . 
O 4 HOH 119 319 289 HOH HOH D . 
O 4 HOH 120 320 149 HOH HOH D . 
O 4 HOH 121 321 144 HOH HOH D . 
O 4 HOH 122 322 477 HOH HOH D . 
O 4 HOH 123 323 463 HOH HOH D . 
O 4 HOH 124 324 389 HOH HOH D . 
O 4 HOH 125 325 498 HOH HOH D . 
O 4 HOH 126 326 184 HOH HOH D . 
O 4 HOH 127 327 259 HOH HOH D . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.19.2_4158 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .           4 
# 
_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                     9KRD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.505 
_cell.length_a_esd                 ? 
_cell.length_b                     73.873 
_cell.length_b_esd                 ? 
_cell.length_c                     98.781 
_cell.length_c_esd                 ? 
_cell.volume                       397736.547 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9KRD 
_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                   9KRD 
_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             2.73 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.94 
_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, SITTING 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    '0.1M Citric acid pH 4.0, 1.6M Ammonium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            294 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-11-12 
_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   0.98 
_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                        'SSRF BEAMLINE BL19U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.98 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL19U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          17.5 
_reflns.entry_id                                       9KRD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.7 
_reflns.d_resolution_low                               50 
_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                                     43231 
_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                           96.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          29.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                0.016 
_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                              0.049 
_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                                    1.70 
_reflns_shell.d_res_low                                     1.76 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           7.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3670 
_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                               8.4 
_reflns_shell.pdbx_chi_squared                              0.986 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.085 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.986 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          83.2 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.237 
_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                               23.71 
_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                                 9KRD 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.70 
_refine.ls_d_res_low                             27.25 
_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                     43069 
_refine.ls_number_reflns_R_free                  2167 
_refine.ls_number_reflns_R_work                  40902 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.54 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1683 
_refine.ls_R_factor_R_free                       0.1871 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1673 
_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                          1.35 
_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                 18.4684 
_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                            0.1797 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.70 
_refine_hist.d_res_low                        27.25 
_refine_hist.number_atoms_solvent             488 
_refine_hist.number_atoms_total               3204 
_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        2529 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         187 
_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' ? 0.0079  ? 2795 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8943  ? 3847 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0389  ? 391  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0094  ? 495  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.9452 ? 937  ? 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' 1.70 1.74  . . 125 2187 79.18 . . . . 0.2244 . . . . . . . . . . . 0.2582 
'X-RAY DIFFRACTION' 1.74 1.78  . . 140 2541 92.04 . . . . 0.1965 . . . . . . . . . . . 0.2204 
'X-RAY DIFFRACTION' 1.78 1.83  . . 133 2775 98.14 . . . . 0.1755 . . . . . . . . . . . 0.2260 
'X-RAY DIFFRACTION' 1.83 1.89  . . 141 2745 98.53 . . . . 0.1642 . . . . . . . . . . . 0.2073 
'X-RAY DIFFRACTION' 1.89 1.95  . . 143 2781 99.12 . . . . 0.1677 . . . . . . . . . . . 0.2030 
'X-RAY DIFFRACTION' 1.95 2.02  . . 185 2737 99.29 . . . . 0.1743 . . . . . . . . . . . 0.2059 
'X-RAY DIFFRACTION' 2.02 2.10  . . 137 2768 98.98 . . . . 0.1730 . . . . . . . . . . . 0.2133 
'X-RAY DIFFRACTION' 2.10 2.19  . . 131 2798 99.46 . . . . 0.1724 . . . . . . . . . . . 0.1874 
'X-RAY DIFFRACTION' 2.19 2.31  . . 146 2796 99.53 . . . . 0.1612 . . . . . . . . . . . 0.1880 
'X-RAY DIFFRACTION' 2.31 2.45  . . 139 2825 99.70 . . . . 0.1607 . . . . . . . . . . . 0.1650 
'X-RAY DIFFRACTION' 2.45 2.64  . . 137 2822 99.60 . . . . 0.1724 . . . . . . . . . . . 0.1865 
'X-RAY DIFFRACTION' 2.64 2.91  . . 157 2818 99.73 . . . . 0.1702 . . . . . . . . . . . 0.2004 
'X-RAY DIFFRACTION' 2.91 3.33  . . 168 2830 99.73 . . . . 0.1825 . . . . . . . . . . . 0.2211 
'X-RAY DIFFRACTION' 3.33 4.19  . . 128 2476 85.43 . . . . 0.1490 . . . . . . . . . . . 0.1610 
'X-RAY DIFFRACTION' 4.19 27.25 . . 157 3003 99.56 . . . . 0.1563 . . . . . . . . . . . 0.1464 
# 
_struct.entry_id                     9KRD 
_struct.title                        'CRYSTAL STRUCTURE OF REDUCED CYTOCHROME C6 FROM SYNECHOCOCCUS ELONGATUS PCC 7942' 
_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        9KRD 
_struct_keywords.text            'ELECTRON TRANSPORT PROTEIN, CYTOCHROME-C6, REDUCED STATE, PHOTOSYNTHESIS, ELECTRON TRANSPORT' 
_struct_keywords.pdbx_keywords   'ELECTRON TRANSPORT' 
# 
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 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 3 ? 
G N N 2 ? 
H N N 3 ? 
I N N 2 ? 
J N N 2 ? 
K N N 3 ? 
L N N 4 ? 
M N N 4 ? 
N N N 4 ? 
O N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CYC6_SYNE7 
_struct_ref.pdbx_db_accession          P25935 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ADLAHGGQVFSANCAACHLGGRNVVNPAKTLQKADLDQYGMASIEAITTQVTNGKGAMPAFGSKLSADDIADVASYVLDQ
SEKGWQG
;
_struct_ref.pdbx_align_begin           25 
# 
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 9KRD A 3 ? 89 ? P25935 25 ? 111 ? 1 87 
2 1 9KRD B 3 ? 89 ? P25935 25 ? 111 ? 1 87 
3 1 9KRD C 3 ? 89 ? P25935 25 ? 111 ? 1 87 
4 1 9KRD D 3 ? 89 ? P25935 25 ? 111 ? 1 87 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9KRD GLY A 1 ? UNP P25935 ? ? 'expression tag' -1 1 
1 9KRD SER A 2 ? UNP P25935 ? ? 'expression tag' 0  2 
2 9KRD GLY B 1 ? UNP P25935 ? ? 'expression tag' -1 3 
2 9KRD SER B 2 ? UNP P25935 ? ? 'expression tag' 0  4 
3 9KRD GLY C 1 ? UNP P25935 ? ? 'expression tag' -1 5 
3 9KRD SER C 2 ? UNP P25935 ? ? 'expression tag' 0  6 
4 9KRD GLY D 1 ? UNP P25935 ? ? 'expression tag' -1 7 
4 9KRD SER D 2 ? UNP P25935 ? ? 'expression tag' 0  8 
# 
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_and_software_defined_assembly PISA dimeric 2 
2 author_and_software_defined_assembly PISA dimeric 2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 3420 ? 
1 MORE         -71  ? 
1 'SSA (A^2)'  8870 ? 
2 'ABSA (A^2)' 3250 ? 
2 MORE         -60  ? 
2 'SSA (A^2)'  8940 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,D,E,F,J,K,L,O 
2 1 B,C,G,H,I,M,N   
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 SER A 2  ? CYS A 16 ? SER A 0  CYS A 14 1 ? 15 
HELX_P HELX_P2  AA2 CYS A 16 ? LEU A 21 ? CYS A 14 LEU A 19 1 ? 6  
HELX_P HELX_P3  AA3 GLY A 22 ? ARG A 24 ? GLY A 20 ARG A 22 5 ? 3  
HELX_P HELX_P4  AA4 GLN A 34 ? TYR A 41 ? GLN A 32 TYR A 39 1 ? 8  
HELX_P HELX_P5  AA5 SER A 45 ? GLY A 56 ? SER A 43 GLY A 54 1 ? 12 
HELX_P HELX_P6  AA6 SER A 68 ? LYS A 85 ? SER A 66 LYS A 83 1 ? 18 
HELX_P HELX_P7  AA7 SER B 2  ? CYS B 16 ? SER B 0  CYS B 14 1 ? 15 
HELX_P HELX_P8  AA8 CYS B 16 ? LEU B 21 ? CYS B 14 LEU B 19 1 ? 6  
HELX_P HELX_P9  AA9 GLY B 22 ? ARG B 24 ? GLY B 20 ARG B 22 5 ? 3  
HELX_P HELX_P10 AB1 GLN B 34 ? TYR B 41 ? GLN B 32 TYR B 39 1 ? 8  
HELX_P HELX_P11 AB2 SER B 45 ? GLY B 56 ? SER B 43 GLY B 54 1 ? 12 
HELX_P HELX_P12 AB3 SER B 68 ? GLY B 86 ? SER B 66 GLY B 84 1 ? 19 
HELX_P HELX_P13 AB4 SER C 2  ? CYS C 16 ? SER C 0  CYS C 14 1 ? 15 
HELX_P HELX_P14 AB5 CYS C 16 ? LEU C 21 ? CYS C 14 LEU C 19 1 ? 6  
HELX_P HELX_P15 AB6 GLY C 22 ? ARG C 24 ? GLY C 20 ARG C 22 5 ? 3  
HELX_P HELX_P16 AB7 GLN C 34 ? TYR C 41 ? GLN C 32 TYR C 39 1 ? 8  
HELX_P HELX_P17 AB8 SER C 45 ? GLY C 56 ? SER C 43 GLY C 54 1 ? 12 
HELX_P HELX_P18 AB9 SER C 68 ? GLY C 86 ? SER C 66 GLY C 84 1 ? 19 
HELX_P HELX_P19 AC1 SER D 2  ? CYS D 16 ? SER D 0  CYS D 14 1 ? 15 
HELX_P HELX_P20 AC2 CYS D 16 ? LEU D 21 ? CYS D 14 LEU D 19 1 ? 6  
HELX_P HELX_P21 AC3 GLY D 22 ? ARG D 24 ? GLY D 20 ARG D 22 5 ? 3  
HELX_P HELX_P22 AC4 GLN D 34 ? TYR D 41 ? GLN D 32 TYR D 39 1 ? 8  
HELX_P HELX_P23 AC5 SER D 45 ? GLY D 56 ? SER D 43 GLY D 54 1 ? 12 
HELX_P HELX_P24 AC6 SER D 68 ? GLY D 86 ? SER D 66 GLY D 84 1 ? 19 
# 
_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 
covale1 covale none ? A CYS 16 SG  ? ? ? 1_555 E HEC . CAB ? ? A CYS 14 A HEC 101 1_555 ? ? ? ? ? ? ? 1.769 ? ? 
covale2 covale none ? A CYS 19 SG  ? ? ? 1_555 E HEC . CAC ? ? A CYS 17 A HEC 101 1_555 ? ? ? ? ? ? ? 1.795 ? ? 
covale3 covale none ? B CYS 16 SG  ? ? ? 1_555 G HEC . CAB ? ? B CYS 14 B HEC 101 1_555 ? ? ? ? ? ? ? 1.767 ? ? 
covale4 covale none ? B CYS 19 SG  ? ? ? 1_555 G HEC . CAC ? ? B CYS 17 B HEC 101 1_555 ? ? ? ? ? ? ? 1.793 ? ? 
covale5 covale none ? C CYS 16 SG  ? ? ? 1_555 I HEC . CAB ? ? C CYS 14 C HEC 101 1_555 ? ? ? ? ? ? ? 1.768 ? ? 
covale6 covale none ? C CYS 19 SG  ? ? ? 1_555 I HEC . CAC ? ? C CYS 17 C HEC 101 1_555 ? ? ? ? ? ? ? 1.790 ? ? 
covale7 covale none ? D CYS 16 SG  ? ? ? 1_555 J HEC . CAB ? ? D CYS 14 D HEC 101 1_555 ? ? ? ? ? ? ? 1.769 ? ? 
covale8 covale none ? D CYS 19 SG  ? ? ? 1_555 J HEC . CAC ? ? D CYS 17 D HEC 101 1_555 ? ? ? ? ? ? ? 1.788 ? ? 
metalc1 metalc ?    ? A HIS 20 NE2 ? ? ? 1_555 E HEC . FE  ? ? A HIS 18 A HEC 101 1_555 ? ? ? ? ? ? ? 2.045 ? ? 
metalc2 metalc ?    ? A MET 60 SD  ? ? ? 1_555 E HEC . FE  ? ? A MET 58 A HEC 101 1_555 ? ? ? ? ? ? ? 2.374 ? ? 
metalc3 metalc ?    ? B HIS 20 NE2 ? ? ? 1_555 G HEC . FE  ? ? B HIS 18 B HEC 101 1_555 ? ? ? ? ? ? ? 2.050 ? ? 
metalc4 metalc ?    ? B MET 60 SD  ? ? ? 1_555 G HEC . FE  ? ? B MET 58 B HEC 101 1_555 ? ? ? ? ? ? ? 2.346 ? ? 
metalc5 metalc ?    ? C HIS 20 NE2 ? ? ? 1_555 I HEC . FE  ? ? C HIS 18 C HEC 101 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
metalc6 metalc ?    ? C MET 60 SD  ? ? ? 1_555 I HEC . FE  ? ? C MET 58 C HEC 101 1_555 ? ? ? ? ? ? ? 2.374 ? ? 
metalc7 metalc ?    ? D HIS 20 NE2 ? ? ? 1_555 J HEC . FE  ? ? D HIS 18 D HEC 101 1_555 ? ? ? ? ? ? ? 2.073 ? ? 
metalc8 metalc ?    ? D MET 60 SD  ? ? ? 1_555 J HEC . FE  ? ? D MET 58 D HEC 101 1_555 ? ? ? ? ? ? ? 2.371 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
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  NE2 ? A HIS 20 ? A HIS 18  ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NA ? E HEC .  ? A HEC 101 ? 1_555 94.2  ? 
2  NE2 ? A HIS 20 ? A HIS 18  ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NB ? E HEC .  ? A HEC 101 ? 1_555 88.3  ? 
3  NA  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NB ? E HEC .  ? A HEC 101 ? 1_555 91.3  ? 
4  NE2 ? A HIS 20 ? A HIS 18  ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NC ? E HEC .  ? A HEC 101 ? 1_555 82.4  ? 
5  NA  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NC ? E HEC .  ? A HEC 101 ? 1_555 176.6 ? 
6  NB  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 NC ? E HEC .  ? A HEC 101 ? 1_555 88.4  ? 
7  NE2 ? A HIS 20 ? A HIS 18  ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 ND ? E HEC .  ? A HEC 101 ? 1_555 89.8  ? 
8  NA  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 ND ? E HEC .  ? A HEC 101 ? 1_555 89.0  ? 
9  NB  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 ND ? E HEC .  ? A HEC 101 ? 1_555 178.1 ? 
10 NC  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 ND ? E HEC .  ? A HEC 101 ? 1_555 91.2  ? 
11 NE2 ? A HIS 20 ? A HIS 18  ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 SD ? A MET 60 ? A MET 58  ? 1_555 176.9 ? 
12 NA  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 SD ? A MET 60 ? A MET 58  ? 1_555 83.2  ? 
13 NB  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 SD ? A MET 60 ? A MET 58  ? 1_555 93.3  ? 
14 NC  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 SD ? A MET 60 ? A MET 58  ? 1_555 100.2 ? 
15 ND  ? E HEC .  ? A HEC 101 ? 1_555 FE ? E HEC . ? A HEC 101 ? 1_555 SD ? A MET 60 ? A MET 58  ? 1_555 88.6  ? 
16 NE2 ? B HIS 20 ? B HIS 18  ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NA ? G HEC .  ? B HEC 101 ? 1_555 93.7  ? 
17 NE2 ? B HIS 20 ? B HIS 18  ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NB ? G HEC .  ? B HEC 101 ? 1_555 87.6  ? 
18 NA  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NB ? G HEC .  ? B HEC 101 ? 1_555 90.8  ? 
19 NE2 ? B HIS 20 ? B HIS 18  ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NC ? G HEC .  ? B HEC 101 ? 1_555 82.4  ? 
20 NA  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NC ? G HEC .  ? B HEC 101 ? 1_555 176.1 ? 
21 NB  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 NC ? G HEC .  ? B HEC 101 ? 1_555 89.1  ? 
22 NE2 ? B HIS 20 ? B HIS 18  ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 ND ? G HEC .  ? B HEC 101 ? 1_555 89.6  ? 
23 NA  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 ND ? G HEC .  ? B HEC 101 ? 1_555 88.8  ? 
24 NB  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 ND ? G HEC .  ? B HEC 101 ? 1_555 177.2 ? 
25 NC  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 ND ? G HEC .  ? B HEC 101 ? 1_555 91.0  ? 
26 NE2 ? B HIS 20 ? B HIS 18  ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 SD ? B MET 60 ? B MET 58  ? 1_555 178.5 ? 
27 NA  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 SD ? B MET 60 ? B MET 58  ? 1_555 84.8  ? 
28 NB  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 SD ? B MET 60 ? B MET 58  ? 1_555 92.5  ? 
29 NC  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 SD ? B MET 60 ? B MET 58  ? 1_555 99.1  ? 
30 ND  ? G HEC .  ? B HEC 101 ? 1_555 FE ? G HEC . ? B HEC 101 ? 1_555 SD ? B MET 60 ? B MET 58  ? 1_555 90.2  ? 
31 NE2 ? C HIS 20 ? C HIS 18  ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NA ? I HEC .  ? C HEC 101 ? 1_555 94.5  ? 
32 NE2 ? C HIS 20 ? C HIS 18  ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NB ? I HEC .  ? C HEC 101 ? 1_555 87.8  ? 
33 NA  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NB ? I HEC .  ? C HEC 101 ? 1_555 90.1  ? 
34 NE2 ? C HIS 20 ? C HIS 18  ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NC ? I HEC .  ? C HEC 101 ? 1_555 81.7  ? 
35 NA  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NC ? I HEC .  ? C HEC 101 ? 1_555 176.2 ? 
36 NB  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 NC ? I HEC .  ? C HEC 101 ? 1_555 90.0  ? 
37 NE2 ? C HIS 20 ? C HIS 18  ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 ND ? I HEC .  ? C HEC 101 ? 1_555 88.0  ? 
38 NA  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 ND ? I HEC .  ? C HEC 101 ? 1_555 89.8  ? 
39 NB  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 ND ? I HEC .  ? C HEC 101 ? 1_555 175.9 ? 
40 NC  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 ND ? I HEC .  ? C HEC 101 ? 1_555 89.8  ? 
41 NE2 ? C HIS 20 ? C HIS 18  ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 SD ? C MET 60 ? C MET 58  ? 1_555 177.3 ? 
42 NA  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 SD ? C MET 60 ? C MET 58  ? 1_555 83.4  ? 
43 NB  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 SD ? C MET 60 ? C MET 58  ? 1_555 93.8  ? 
44 NC  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 SD ? C MET 60 ? C MET 58  ? 1_555 100.4 ? 
45 ND  ? I HEC .  ? C HEC 101 ? 1_555 FE ? I HEC . ? C HEC 101 ? 1_555 SD ? C MET 60 ? C MET 58  ? 1_555 90.3  ? 
46 NE2 ? D HIS 20 ? D HIS 18  ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NA ? J HEC .  ? D HEC 101 ? 1_555 92.9  ? 
47 NE2 ? D HIS 20 ? D HIS 18  ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NB ? J HEC .  ? D HEC 101 ? 1_555 89.2  ? 
48 NA  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NB ? J HEC .  ? D HEC 101 ? 1_555 92.3  ? 
49 NE2 ? D HIS 20 ? D HIS 18  ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NC ? J HEC .  ? D HEC 101 ? 1_555 82.6  ? 
50 NA  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NC ? J HEC .  ? D HEC 101 ? 1_555 175.4 ? 
51 NB  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 NC ? J HEC .  ? D HEC 101 ? 1_555 88.5  ? 
52 NE2 ? D HIS 20 ? D HIS 18  ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 ND ? J HEC .  ? D HEC 101 ? 1_555 87.2  ? 
53 NA  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 ND ? J HEC .  ? D HEC 101 ? 1_555 88.3  ? 
54 NB  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 ND ? J HEC .  ? D HEC 101 ? 1_555 176.4 ? 
55 NC  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 ND ? J HEC .  ? D HEC 101 ? 1_555 90.6  ? 
56 NE2 ? D HIS 20 ? D HIS 18  ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 SD ? D MET 60 ? D MET 58  ? 1_555 176.6 ? 
57 NA  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 SD ? D MET 60 ? D MET 58  ? 1_555 84.6  ? 
58 NB  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 SD ? D MET 60 ? D MET 58  ? 1_555 93.2  ? 
59 NC  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 SD ? D MET 60 ? D MET 58  ? 1_555 99.9  ? 
60 ND  ? J HEC .  ? D HEC 101 ? 1_555 FE ? J HEC . ? D HEC 101 ? 1_555 SD ? D MET 60 ? D MET 58  ? 1_555 90.5  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 HEC E . ? CYS A 16 ? HEC A 101 ? 1_555 CYS A 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
2 HEC E . ? CYS A 19 ? HEC A 101 ? 1_555 CYS A 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
3 HEC G . ? CYS B 16 ? HEC B 101 ? 1_555 CYS B 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
4 HEC G . ? CYS B 19 ? HEC B 101 ? 1_555 CYS B 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
5 HEC I . ? CYS C 16 ? HEC C 101 ? 1_555 CYS C 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
6 HEC I . ? CYS C 19 ? HEC C 101 ? 1_555 CYS C 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
7 HEC J . ? CYS D 16 ? HEC D 101 ? 1_555 CYS D 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
8 HEC J . ? CYS D 19 ? HEC D 101 ? 1_555 CYS D 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
# 
_pdbx_entry_details.entry_id                   9KRD 
_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   Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA A 42 ? ? -91.00  58.04  
2 1 LYS A 55 ? ? -170.42 124.77 
3 1 ALA B 42 ? ? -91.63  58.82  
4 1 ALA C 42 ? ? -89.03  47.11  
5 1 ALA D 42 ? ? -94.51  56.80  
# 
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 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      D 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       327 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.82 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 C GLY 87 ? C GLY 89 
2 1 Y 1 D GLN 86 ? D GLN 88 
3 1 Y 1 D GLY 87 ? D GLY 89 
# 
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  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HEC FE   FE N N 137 
HEC CHA  C  N N 138 
HEC CHB  C  N N 139 
HEC CHC  C  N N 140 
HEC CHD  C  N N 141 
HEC NA   N  Y N 142 
HEC C1A  C  Y N 143 
HEC C2A  C  Y N 144 
HEC C3A  C  Y N 145 
HEC C4A  C  Y N 146 
HEC CMA  C  N N 147 
HEC CAA  C  N N 148 
HEC CBA  C  N N 149 
HEC CGA  C  N N 150 
HEC O1A  O  N N 151 
HEC O2A  O  N N 152 
HEC NB   N  Y N 153 
HEC C1B  C  Y N 154 
HEC C2B  C  Y N 155 
HEC C3B  C  Y N 156 
HEC C4B  C  Y N 157 
HEC CMB  C  N N 158 
HEC CAB  C  N N 159 
HEC CBB  C  N N 160 
HEC NC   N  Y N 161 
HEC C1C  C  Y N 162 
HEC C2C  C  Y N 163 
HEC C3C  C  Y N 164 
HEC C4C  C  Y N 165 
HEC CMC  C  N N 166 
HEC CAC  C  N N 167 
HEC CBC  C  N N 168 
HEC ND   N  Y N 169 
HEC C1D  C  Y N 170 
HEC C2D  C  Y N 171 
HEC C3D  C  Y N 172 
HEC C4D  C  Y N 173 
HEC CMD  C  N N 174 
HEC CAD  C  N N 175 
HEC CBD  C  N N 176 
HEC CGD  C  N N 177 
HEC O1D  O  N N 178 
HEC O2D  O  N N 179 
HEC HHA  H  N N 180 
HEC HHB  H  N N 181 
HEC HHC  H  N N 182 
HEC HHD  H  N N 183 
HEC HMA1 H  N N 184 
HEC HMA2 H  N N 185 
HEC HMA3 H  N N 186 
HEC HAA1 H  N N 187 
HEC HAA2 H  N N 188 
HEC HBA1 H  N N 189 
HEC HBA2 H  N N 190 
HEC H2A  H  N N 191 
HEC HMB1 H  N N 192 
HEC HMB2 H  N N 193 
HEC HMB3 H  N N 194 
HEC HAB  H  N N 195 
HEC HBB1 H  N N 196 
HEC HBB2 H  N N 197 
HEC HBB3 H  N N 198 
HEC HMC1 H  N N 199 
HEC HMC2 H  N N 200 
HEC HMC3 H  N N 201 
HEC HAC  H  N N 202 
HEC HBC1 H  N N 203 
HEC HBC2 H  N N 204 
HEC HBC3 H  N N 205 
HEC HMD1 H  N N 206 
HEC HMD2 H  N N 207 
HEC HMD3 H  N N 208 
HEC HAD1 H  N N 209 
HEC HAD2 H  N N 210 
HEC HBD1 H  N N 211 
HEC HBD2 H  N N 212 
HEC H2D  H  N N 213 
HIS N    N  N N 214 
HIS CA   C  N S 215 
HIS C    C  N N 216 
HIS O    O  N N 217 
HIS CB   C  N N 218 
HIS CG   C  Y N 219 
HIS ND1  N  Y N 220 
HIS CD2  C  Y N 221 
HIS CE1  C  Y N 222 
HIS NE2  N  Y N 223 
HIS OXT  O  N N 224 
HIS H    H  N N 225 
HIS H2   H  N N 226 
HIS HA   H  N N 227 
HIS HB2  H  N N 228 
HIS HB3  H  N N 229 
HIS HD1  H  N N 230 
HIS HD2  H  N N 231 
HIS HE1  H  N N 232 
HIS HE2  H  N N 233 
HIS HXT  H  N N 234 
HOH O    O  N N 235 
HOH H1   H  N N 236 
HOH H2   H  N N 237 
ILE N    N  N N 238 
ILE CA   C  N S 239 
ILE C    C  N N 240 
ILE O    O  N N 241 
ILE CB   C  N S 242 
ILE CG1  C  N N 243 
ILE CG2  C  N N 244 
ILE CD1  C  N N 245 
ILE OXT  O  N N 246 
ILE H    H  N N 247 
ILE H2   H  N N 248 
ILE HA   H  N N 249 
ILE HB   H  N N 250 
ILE HG12 H  N N 251 
ILE HG13 H  N N 252 
ILE HG21 H  N N 253 
ILE HG22 H  N N 254 
ILE HG23 H  N N 255 
ILE HD11 H  N N 256 
ILE HD12 H  N N 257 
ILE HD13 H  N N 258 
ILE HXT  H  N N 259 
LEU N    N  N N 260 
LEU CA   C  N S 261 
LEU C    C  N N 262 
LEU O    O  N N 263 
LEU CB   C  N N 264 
LEU CG   C  N N 265 
LEU CD1  C  N N 266 
LEU CD2  C  N N 267 
LEU OXT  O  N N 268 
LEU H    H  N N 269 
LEU H2   H  N N 270 
LEU HA   H  N N 271 
LEU HB2  H  N N 272 
LEU HB3  H  N N 273 
LEU HG   H  N N 274 
LEU HD11 H  N N 275 
LEU HD12 H  N N 276 
LEU HD13 H  N N 277 
LEU HD21 H  N N 278 
LEU HD22 H  N N 279 
LEU HD23 H  N N 280 
LEU HXT  H  N N 281 
LYS N    N  N N 282 
LYS CA   C  N S 283 
LYS C    C  N N 284 
LYS O    O  N N 285 
LYS CB   C  N N 286 
LYS CG   C  N N 287 
LYS CD   C  N N 288 
LYS CE   C  N N 289 
LYS NZ   N  N N 290 
LYS OXT  O  N N 291 
LYS H    H  N N 292 
LYS H2   H  N N 293 
LYS HA   H  N N 294 
LYS HB2  H  N N 295 
LYS HB3  H  N N 296 
LYS HG2  H  N N 297 
LYS HG3  H  N N 298 
LYS HD2  H  N N 299 
LYS HD3  H  N N 300 
LYS HE2  H  N N 301 
LYS HE3  H  N N 302 
LYS HZ1  H  N N 303 
LYS HZ2  H  N N 304 
LYS HZ3  H  N N 305 
LYS HXT  H  N N 306 
MET N    N  N N 307 
MET CA   C  N S 308 
MET C    C  N N 309 
MET O    O  N N 310 
MET CB   C  N N 311 
MET CG   C  N N 312 
MET SD   S  N N 313 
MET CE   C  N N 314 
MET OXT  O  N N 315 
MET H    H  N N 316 
MET H2   H  N N 317 
MET HA   H  N N 318 
MET HB2  H  N N 319 
MET HB3  H  N N 320 
MET HG2  H  N N 321 
MET HG3  H  N N 322 
MET HE1  H  N N 323 
MET HE2  H  N N 324 
MET HE3  H  N N 325 
MET HXT  H  N N 326 
PHE N    N  N N 327 
PHE CA   C  N S 328 
PHE C    C  N N 329 
PHE O    O  N N 330 
PHE CB   C  N N 331 
PHE CG   C  Y N 332 
PHE CD1  C  Y N 333 
PHE CD2  C  Y N 334 
PHE CE1  C  Y N 335 
PHE CE2  C  Y N 336 
PHE CZ   C  Y N 337 
PHE OXT  O  N N 338 
PHE H    H  N N 339 
PHE H2   H  N N 340 
PHE HA   H  N N 341 
PHE HB2  H  N N 342 
PHE HB3  H  N N 343 
PHE HD1  H  N N 344 
PHE HD2  H  N N 345 
PHE HE1  H  N N 346 
PHE HE2  H  N N 347 
PHE HZ   H  N N 348 
PHE HXT  H  N N 349 
PRO N    N  N N 350 
PRO CA   C  N S 351 
PRO C    C  N N 352 
PRO O    O  N N 353 
PRO CB   C  N N 354 
PRO CG   C  N N 355 
PRO CD   C  N N 356 
PRO OXT  O  N N 357 
PRO H    H  N N 358 
PRO HA   H  N N 359 
PRO HB2  H  N N 360 
PRO HB3  H  N N 361 
PRO HG2  H  N N 362 
PRO HG3  H  N N 363 
PRO HD2  H  N N 364 
PRO HD3  H  N N 365 
PRO HXT  H  N N 366 
SER N    N  N N 367 
SER CA   C  N S 368 
SER C    C  N N 369 
SER O    O  N N 370 
SER CB   C  N N 371 
SER OG   O  N N 372 
SER OXT  O  N N 373 
SER H    H  N N 374 
SER H2   H  N N 375 
SER HA   H  N N 376 
SER HB2  H  N N 377 
SER HB3  H  N N 378 
SER HG   H  N N 379 
SER HXT  H  N N 380 
SO4 S    S  N N 381 
SO4 O1   O  N N 382 
SO4 O2   O  N N 383 
SO4 O3   O  N N 384 
SO4 O4   O  N N 385 
THR N    N  N N 386 
THR CA   C  N S 387 
THR C    C  N N 388 
THR O    O  N N 389 
THR CB   C  N R 390 
THR OG1  O  N N 391 
THR CG2  C  N N 392 
THR OXT  O  N N 393 
THR H    H  N N 394 
THR H2   H  N N 395 
THR HA   H  N N 396 
THR HB   H  N N 397 
THR HG1  H  N N 398 
THR HG21 H  N N 399 
THR HG22 H  N N 400 
THR HG23 H  N N 401 
THR HXT  H  N N 402 
TRP N    N  N N 403 
TRP CA   C  N S 404 
TRP C    C  N N 405 
TRP O    O  N N 406 
TRP CB   C  N N 407 
TRP CG   C  Y N 408 
TRP CD1  C  Y N 409 
TRP CD2  C  Y N 410 
TRP NE1  N  Y N 411 
TRP CE2  C  Y N 412 
TRP CE3  C  Y N 413 
TRP CZ2  C  Y N 414 
TRP CZ3  C  Y N 415 
TRP CH2  C  Y N 416 
TRP OXT  O  N N 417 
TRP H    H  N N 418 
TRP H2   H  N N 419 
TRP HA   H  N N 420 
TRP HB2  H  N N 421 
TRP HB3  H  N N 422 
TRP HD1  H  N N 423 
TRP HE1  H  N N 424 
TRP HE3  H  N N 425 
TRP HZ2  H  N N 426 
TRP HZ3  H  N N 427 
TRP HH2  H  N N 428 
TRP HXT  H  N N 429 
TYR N    N  N N 430 
TYR CA   C  N S 431 
TYR C    C  N N 432 
TYR O    O  N N 433 
TYR CB   C  N N 434 
TYR CG   C  Y N 435 
TYR CD1  C  Y N 436 
TYR CD2  C  Y N 437 
TYR CE1  C  Y N 438 
TYR CE2  C  Y N 439 
TYR CZ   C  Y N 440 
TYR OH   O  N N 441 
TYR OXT  O  N N 442 
TYR H    H  N N 443 
TYR H2   H  N N 444 
TYR HA   H  N N 445 
TYR HB2  H  N N 446 
TYR HB3  H  N N 447 
TYR HD1  H  N N 448 
TYR HD2  H  N N 449 
TYR HE1  H  N N 450 
TYR HE2  H  N N 451 
TYR HH   H  N N 452 
TYR HXT  H  N N 453 
VAL N    N  N N 454 
VAL CA   C  N S 455 
VAL C    C  N N 456 
VAL O    O  N N 457 
VAL CB   C  N N 458 
VAL CG1  C  N N 459 
VAL CG2  C  N N 460 
VAL OXT  O  N N 461 
VAL H    H  N N 462 
VAL H2   H  N N 463 
VAL HA   H  N N 464 
VAL HB   H  N N 465 
VAL HG11 H  N N 466 
VAL HG12 H  N N 467 
VAL HG13 H  N N 468 
VAL HG21 H  N N 469 
VAL HG22 H  N N 470 
VAL HG23 H  N N 471 
VAL HXT  H  N N 472 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
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  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HEC FE  NA   sing N N 129 
HEC FE  NB   sing N N 130 
HEC FE  NC   sing N N 131 
HEC FE  ND   sing N N 132 
HEC CHA C1A  doub N N 133 
HEC CHA C4D  sing N N 134 
HEC CHA HHA  sing N N 135 
HEC CHB C4A  doub N N 136 
HEC CHB C1B  sing N N 137 
HEC CHB HHB  sing N N 138 
HEC CHC C4B  doub N N 139 
HEC CHC C1C  sing N N 140 
HEC CHC HHC  sing N N 141 
HEC CHD C4C  doub N N 142 
HEC CHD C1D  sing N N 143 
HEC CHD HHD  sing N N 144 
HEC NA  C1A  sing Y N 145 
HEC NA  C4A  sing Y N 146 
HEC C1A C2A  sing Y N 147 
HEC C2A C3A  doub Y N 148 
HEC C2A CAA  sing N N 149 
HEC C3A C4A  sing Y N 150 
HEC C3A CMA  sing N N 151 
HEC CMA HMA1 sing N N 152 
HEC CMA HMA2 sing N N 153 
HEC CMA HMA3 sing N N 154 
HEC CAA CBA  sing N N 155 
HEC CAA HAA1 sing N N 156 
HEC CAA HAA2 sing N N 157 
HEC CBA CGA  sing N N 158 
HEC CBA HBA1 sing N N 159 
HEC CBA HBA2 sing N N 160 
HEC CGA O1A  doub N N 161 
HEC CGA O2A  sing N N 162 
HEC O2A H2A  sing N N 163 
HEC NB  C1B  sing Y N 164 
HEC NB  C4B  sing Y N 165 
HEC C1B C2B  doub Y N 166 
HEC C2B C3B  sing Y N 167 
HEC C2B CMB  sing N N 168 
HEC C3B C4B  sing Y N 169 
HEC C3B CAB  doub N E 170 
HEC CMB HMB1 sing N N 171 
HEC CMB HMB2 sing N N 172 
HEC CMB HMB3 sing N N 173 
HEC CAB CBB  sing N N 174 
HEC CAB HAB  sing N N 175 
HEC CBB HBB1 sing N N 176 
HEC CBB HBB2 sing N N 177 
HEC CBB HBB3 sing N N 178 
HEC NC  C1C  sing Y N 179 
HEC NC  C4C  sing Y N 180 
HEC C1C C2C  doub Y N 181 
HEC C2C C3C  sing Y N 182 
HEC C2C CMC  sing N N 183 
HEC C3C C4C  sing Y N 184 
HEC C3C CAC  doub N E 185 
HEC CMC HMC1 sing N N 186 
HEC CMC HMC2 sing N N 187 
HEC CMC HMC3 sing N N 188 
HEC CAC CBC  sing N N 189 
HEC CAC HAC  sing N N 190 
HEC CBC HBC1 sing N N 191 
HEC CBC HBC2 sing N N 192 
HEC CBC HBC3 sing N N 193 
HEC ND  C1D  sing Y N 194 
HEC ND  C4D  sing Y N 195 
HEC C1D C2D  doub Y N 196 
HEC C2D C3D  sing Y N 197 
HEC C2D CMD  sing N N 198 
HEC C3D C4D  doub Y N 199 
HEC C3D CAD  sing N N 200 
HEC CMD HMD1 sing N N 201 
HEC CMD HMD2 sing N N 202 
HEC CMD HMD3 sing N N 203 
HEC CAD CBD  sing N N 204 
HEC CAD HAD1 sing N N 205 
HEC CAD HAD2 sing N N 206 
HEC CBD CGD  sing N N 207 
HEC CBD HBD1 sing N N 208 
HEC CBD HBD2 sing N N 209 
HEC CGD O1D  doub N N 210 
HEC CGD O2D  sing N N 211 
HEC O2D H2D  sing N N 212 
HIS N   CA   sing N N 213 
HIS N   H    sing N N 214 
HIS N   H2   sing N N 215 
HIS CA  C    sing N N 216 
HIS CA  CB   sing N N 217 
HIS CA  HA   sing N N 218 
HIS C   O    doub N N 219 
HIS C   OXT  sing N N 220 
HIS CB  CG   sing N N 221 
HIS CB  HB2  sing N N 222 
HIS CB  HB3  sing N N 223 
HIS CG  ND1  sing Y N 224 
HIS CG  CD2  doub Y N 225 
HIS ND1 CE1  doub Y N 226 
HIS ND1 HD1  sing N N 227 
HIS CD2 NE2  sing Y N 228 
HIS CD2 HD2  sing N N 229 
HIS CE1 NE2  sing Y N 230 
HIS CE1 HE1  sing N N 231 
HIS NE2 HE2  sing N N 232 
HIS OXT HXT  sing N N 233 
HOH O   H1   sing N N 234 
HOH O   H2   sing N N 235 
ILE N   CA   sing N N 236 
ILE N   H    sing N N 237 
ILE N   H2   sing N N 238 
ILE CA  C    sing N N 239 
ILE CA  CB   sing N N 240 
ILE CA  HA   sing N N 241 
ILE C   O    doub N N 242 
ILE C   OXT  sing N N 243 
ILE CB  CG1  sing N N 244 
ILE CB  CG2  sing N N 245 
ILE CB  HB   sing N N 246 
ILE CG1 CD1  sing N N 247 
ILE CG1 HG12 sing N N 248 
ILE CG1 HG13 sing N N 249 
ILE CG2 HG21 sing N N 250 
ILE CG2 HG22 sing N N 251 
ILE CG2 HG23 sing N N 252 
ILE CD1 HD11 sing N N 253 
ILE CD1 HD12 sing N N 254 
ILE CD1 HD13 sing N N 255 
ILE OXT HXT  sing N N 256 
LEU N   CA   sing N N 257 
LEU N   H    sing N N 258 
LEU N   H2   sing N N 259 
LEU CA  C    sing N N 260 
LEU CA  CB   sing N N 261 
LEU CA  HA   sing N N 262 
LEU C   O    doub N N 263 
LEU C   OXT  sing N N 264 
LEU CB  CG   sing N N 265 
LEU CB  HB2  sing N N 266 
LEU CB  HB3  sing N N 267 
LEU CG  CD1  sing N N 268 
LEU CG  CD2  sing N N 269 
LEU CG  HG   sing N N 270 
LEU CD1 HD11 sing N N 271 
LEU CD1 HD12 sing N N 272 
LEU CD1 HD13 sing N N 273 
LEU CD2 HD21 sing N N 274 
LEU CD2 HD22 sing N N 275 
LEU CD2 HD23 sing N N 276 
LEU OXT HXT  sing N N 277 
LYS N   CA   sing N N 278 
LYS N   H    sing N N 279 
LYS N   H2   sing N N 280 
LYS CA  C    sing N N 281 
LYS CA  CB   sing N N 282 
LYS CA  HA   sing N N 283 
LYS C   O    doub N N 284 
LYS C   OXT  sing N N 285 
LYS CB  CG   sing N N 286 
LYS CB  HB2  sing N N 287 
LYS CB  HB3  sing N N 288 
LYS CG  CD   sing N N 289 
LYS CG  HG2  sing N N 290 
LYS CG  HG3  sing N N 291 
LYS CD  CE   sing N N 292 
LYS CD  HD2  sing N N 293 
LYS CD  HD3  sing N N 294 
LYS CE  NZ   sing N N 295 
LYS CE  HE2  sing N N 296 
LYS CE  HE3  sing N N 297 
LYS NZ  HZ1  sing N N 298 
LYS NZ  HZ2  sing N N 299 
LYS NZ  HZ3  sing N N 300 
LYS OXT HXT  sing N N 301 
MET N   CA   sing N N 302 
MET N   H    sing N N 303 
MET N   H2   sing N N 304 
MET CA  C    sing N N 305 
MET CA  CB   sing N N 306 
MET CA  HA   sing N N 307 
MET C   O    doub N N 308 
MET C   OXT  sing N N 309 
MET CB  CG   sing N N 310 
MET CB  HB2  sing N N 311 
MET CB  HB3  sing N N 312 
MET CG  SD   sing N N 313 
MET CG  HG2  sing N N 314 
MET CG  HG3  sing N N 315 
MET SD  CE   sing N N 316 
MET CE  HE1  sing N N 317 
MET CE  HE2  sing N N 318 
MET CE  HE3  sing N N 319 
MET OXT HXT  sing N N 320 
PHE N   CA   sing N N 321 
PHE N   H    sing N N 322 
PHE N   H2   sing N N 323 
PHE CA  C    sing N N 324 
PHE CA  CB   sing N N 325 
PHE CA  HA   sing N N 326 
PHE C   O    doub N N 327 
PHE C   OXT  sing N N 328 
PHE CB  CG   sing N N 329 
PHE CB  HB2  sing N N 330 
PHE CB  HB3  sing N N 331 
PHE CG  CD1  doub Y N 332 
PHE CG  CD2  sing Y N 333 
PHE CD1 CE1  sing Y N 334 
PHE CD1 HD1  sing N N 335 
PHE CD2 CE2  doub Y N 336 
PHE CD2 HD2  sing N N 337 
PHE CE1 CZ   doub Y N 338 
PHE CE1 HE1  sing N N 339 
PHE CE2 CZ   sing Y N 340 
PHE CE2 HE2  sing N N 341 
PHE CZ  HZ   sing N N 342 
PHE OXT HXT  sing N N 343 
PRO N   CA   sing N N 344 
PRO N   CD   sing N N 345 
PRO N   H    sing N N 346 
PRO CA  C    sing N N 347 
PRO CA  CB   sing N N 348 
PRO CA  HA   sing N N 349 
PRO C   O    doub N N 350 
PRO C   OXT  sing N N 351 
PRO CB  CG   sing N N 352 
PRO CB  HB2  sing N N 353 
PRO CB  HB3  sing N N 354 
PRO CG  CD   sing N N 355 
PRO CG  HG2  sing N N 356 
PRO CG  HG3  sing N N 357 
PRO CD  HD2  sing N N 358 
PRO CD  HD3  sing N N 359 
PRO OXT HXT  sing N N 360 
SER N   CA   sing N N 361 
SER N   H    sing N N 362 
SER N   H2   sing N N 363 
SER CA  C    sing N N 364 
SER CA  CB   sing N N 365 
SER CA  HA   sing N N 366 
SER C   O    doub N N 367 
SER C   OXT  sing N N 368 
SER CB  OG   sing N N 369 
SER CB  HB2  sing N N 370 
SER CB  HB3  sing N N 371 
SER OG  HG   sing N N 372 
SER OXT HXT  sing N N 373 
SO4 S   O1   doub N N 374 
SO4 S   O2   doub N N 375 
SO4 S   O3   sing N N 376 
SO4 S   O4   sing N N 377 
THR N   CA   sing N N 378 
THR N   H    sing N N 379 
THR N   H2   sing N N 380 
THR CA  C    sing N N 381 
THR CA  CB   sing N N 382 
THR CA  HA   sing N N 383 
THR C   O    doub N N 384 
THR C   OXT  sing N N 385 
THR CB  OG1  sing N N 386 
THR CB  CG2  sing N N 387 
THR CB  HB   sing N N 388 
THR OG1 HG1  sing N N 389 
THR CG2 HG21 sing N N 390 
THR CG2 HG22 sing N N 391 
THR CG2 HG23 sing N N 392 
THR OXT HXT  sing N N 393 
TRP N   CA   sing N N 394 
TRP N   H    sing N N 395 
TRP N   H2   sing N N 396 
TRP CA  C    sing N N 397 
TRP CA  CB   sing N N 398 
TRP CA  HA   sing N N 399 
TRP C   O    doub N N 400 
TRP C   OXT  sing N N 401 
TRP CB  CG   sing N N 402 
TRP CB  HB2  sing N N 403 
TRP CB  HB3  sing N N 404 
TRP CG  CD1  doub Y N 405 
TRP CG  CD2  sing Y N 406 
TRP CD1 NE1  sing Y N 407 
TRP CD1 HD1  sing N N 408 
TRP CD2 CE2  doub Y N 409 
TRP CD2 CE3  sing Y N 410 
TRP NE1 CE2  sing Y N 411 
TRP NE1 HE1  sing N N 412 
TRP CE2 CZ2  sing Y N 413 
TRP CE3 CZ3  doub Y N 414 
TRP CE3 HE3  sing N N 415 
TRP CZ2 CH2  doub Y N 416 
TRP CZ2 HZ2  sing N N 417 
TRP CZ3 CH2  sing Y N 418 
TRP CZ3 HZ3  sing N N 419 
TRP CH2 HH2  sing N N 420 
TRP OXT HXT  sing N N 421 
TYR N   CA   sing N N 422 
TYR N   H    sing N N 423 
TYR N   H2   sing N N 424 
TYR CA  C    sing N N 425 
TYR CA  CB   sing N N 426 
TYR CA  HA   sing N N 427 
TYR C   O    doub N N 428 
TYR C   OXT  sing N N 429 
TYR CB  CG   sing N N 430 
TYR CB  HB2  sing N N 431 
TYR CB  HB3  sing N N 432 
TYR CG  CD1  doub Y N 433 
TYR CG  CD2  sing Y N 434 
TYR CD1 CE1  sing Y N 435 
TYR CD1 HD1  sing N N 436 
TYR CD2 CE2  doub Y N 437 
TYR CD2 HD2  sing N N 438 
TYR CE1 CZ   doub Y N 439 
TYR CE1 HE1  sing N N 440 
TYR CE2 CZ   sing Y N 441 
TYR CE2 HE2  sing N N 442 
TYR CZ  OH   sing N N 443 
TYR OH  HH   sing N N 444 
TYR OXT HXT  sing N N 445 
VAL N   CA   sing N N 446 
VAL N   H    sing N N 447 
VAL N   H2   sing N N 448 
VAL CA  C    sing N N 449 
VAL CA  CB   sing N N 450 
VAL CA  HA   sing N N 451 
VAL C   O    doub N N 452 
VAL C   OXT  sing N N 453 
VAL CB  CG1  sing N N 454 
VAL CB  CG2  sing N N 455 
VAL CB  HB   sing N N 456 
VAL CG1 HG11 sing N N 457 
VAL CG1 HG12 sing N N 458 
VAL CG1 HG13 sing N N 459 
VAL CG2 HG21 sing N N 460 
VAL CG2 HG22 sing N N 461 
VAL CG2 HG23 sing N N 462 
VAL OXT HXT  sing N N 463 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           32070259 
_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   4EID 
_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                    9KRD 
_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]   0.018347 
_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]   0.013537 
_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]   0.010123 
_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  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
FE ? ? 20.90327 4.99816 ? ? 2.55100  38.46870 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-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   . GLY A 1 1  ? 27.34000 44.75500 30.80000 1.000 47.68730 ? -1  GLY A N   1 
ATOM   2    C  CA  . GLY A 1 1  ? 27.52700 45.75200 29.75600 1.000 49.29275 ? -1  GLY A CA  1 
ATOM   3    C  C   . GLY A 1 1  ? 27.47100 45.19000 28.34600 1.000 45.74759 ? -1  GLY A C   1 
ATOM   4    O  O   . GLY A 1 1  ? 26.56700 44.42600 28.00400 1.000 49.57173 ? -1  GLY A O   1 
ATOM   5    N  N   . SER A 1 2  ? 28.44100 45.56500 27.51600 1.000 48.64531 ? 0   SER A N   1 
ATOM   6    C  CA  . SER A 1 2  ? 28.48400 45.08000 26.14700 1.000 40.93649 ? 0   SER A CA  1 
ATOM   7    C  C   . SER A 1 2  ? 29.17500 43.72500 26.08300 1.000 32.89868 ? 0   SER A C   1 
ATOM   8    O  O   . SER A 1 2  ? 30.00300 43.37900 26.93400 1.000 33.01712 ? 0   SER A O   1 
ATOM   9    C  CB  . SER A 1 2  ? 29.20600 46.07100 25.22900 1.000 40.87595 ? 0   SER A CB  1 
ATOM   10   O  OG  . SER A 1 2  ? 30.61300 45.94000 25.35300 1.000 32.21965 ? 0   SER A OG  1 
ATOM   11   N  N   . ALA A 1 3  ? 28.81600 42.95800 25.05200 1.000 34.85418 ? 1   ALA A N   1 
ATOM   12   C  CA  . ALA A 1 3  ? 29.51700 41.71400 24.74900 1.000 32.89342 ? 1   ALA A CA  1 
ATOM   13   C  C   . ALA A 1 3  ? 31.00800 41.95700 24.52800 1.000 31.81697 ? 1   ALA A C   1 
ATOM   14   O  O   . ALA A 1 3  ? 31.84900 41.19600 25.02700 1.000 26.91375 ? 1   ALA A O   1 
ATOM   15   C  CB  . ALA A 1 3  ? 28.88500 41.05800 23.51500 1.000 32.59865 ? 1   ALA A CB  1 
ATOM   16   N  N   . ASP A 1 4  ? 31.35200 43.01900 23.79100 1.000 33.23820 ? 2   ASP A N   1 
ATOM   17   C  CA  . ASP A 1 4  ? 32.75300 43.28400 23.45900 1.000 26.92691 ? 2   ASP A CA  1 
ATOM   18   C  C   . ASP A 1 4  ? 33.59800 43.45700 24.71300 1.000 27.19273 ? 2   ASP A C   1 
ATOM   19   O  O   . ASP A 1 4  ? 34.69100 42.89000 24.81400 1.000 23.49229 ? 2   ASP A O   1 
ATOM   20   C  CB  . ASP A 1 4  ? 32.86300 44.52300 22.56600 1.000 29.92727 ? 2   ASP A CB  1 
ATOM   21   C  CG  . ASP A 1 4  ? 32.40700 44.26400 21.14000 1.000 41.35496 ? 2   ASP A CG  1 
ATOM   22   O  OD1 . ASP A 1 4  ? 31.99200 43.12400 20.83100 1.000 42.34192 ? 2   ASP A OD1 1 
ATOM   23   O  OD2 . ASP A 1 4  ? 32.47100 45.20600 20.32000 1.000 49.50330 ? 2   ASP A OD2 1 
ATOM   24   N  N   . LEU A 1 5  ? 33.10600 44.23400 25.68700 1.000 22.91327 ? 3   LEU A N   1 
ATOM   25   C  CA  . LEU A 1 5  ? 33.88300 44.47100 26.90400 1.000 22.71062 ? 3   LEU A CA  1 
ATOM   26   C  C   . LEU A 1 5  ? 34.03100 43.20300 27.72900 1.000 24.69243 ? 3   LEU A C   1 
ATOM   27   O  O   . LEU A 1 5  ? 35.09800 42.94900 28.29800 1.000 23.11593 ? 3   LEU A O   1 
ATOM   28   C  CB  . LEU A 1 5  ? 33.23900 45.56300 27.75600 1.000 25.34251 ? 3   LEU A CB  1 
ATOM   29   C  CG  . LEU A 1 5  ? 33.38000 46.98900 27.24500 1.000 28.24286 ? 3   LEU A CG  1 
ATOM   30   C  CD1 . LEU A 1 5  ? 32.62300 47.93200 28.15300 1.000 30.87212 ? 3   LEU A CD1 1 
ATOM   31   C  CD2 . LEU A 1 5  ? 34.85300 47.37200 27.14900 1.000 27.22695 ? 3   LEU A CD2 1 
ATOM   32   N  N   . ALA A 1 6  ? 32.96100 42.41100 27.82600 1.000 26.29526 ? 4   ALA A N   1 
ATOM   33   C  CA  . ALA A 1 6  ? 33.03500 41.15000 28.55200 1.000 26.44791 ? 4   ALA A CA  1 
ATOM   34   C  C   . ALA A 1 6  ? 34.08600 40.23200 27.94700 1.000 21.18938 ? 4   ALA A C   1 
ATOM   35   O  O   . ALA A 1 6  ? 34.94200 39.69500 28.65900 1.000 22.50007 ? 4   ALA A O   1 
ATOM   36   C  CB  . ALA A 1 6  ? 31.66900 40.46800 28.55300 1.000 25.57149 ? 4   ALA A CB  1 
ATOM   37   N  N   . HIS A 1 7  ? 34.01000 40.01100 26.63300 1.000 21.35519 ? 5   HIS A N   1 
ATOM   38   C  CA  . HIS A 1 7  ? 35.01600 39.18800 25.97900 1.000 22.42374 ? 5   HIS A CA  1 
ATOM   39   C  C   . HIS A 1 7  ? 36.39500 39.81000 26.12700 1.000 19.46549 ? 5   HIS A C   1 
ATOM   40   O  O   . HIS A 1 7  ? 37.38500 39.09800 26.31500 1.000 17.83109 ? 5   HIS A O   1 
ATOM   41   C  CB  . HIS A 1 7  ? 34.67300 38.99200 24.50300 1.000 23.36070 ? 5   HIS A CB  1 
ATOM   42   C  CG  . HIS A 1 7  ? 35.67300 38.14800 23.77200 1.000 27.11378 ? 5   HIS A CG  1 
ATOM   43   N  ND1 . HIS A 1 7  ? 36.02400 36.88200 24.19300 1.000 31.73012 ? 5   HIS A ND1 1 
ATOM   44   C  CD2 . HIS A 1 7  ? 36.42200 38.40000 22.67400 1.000 24.02130 ? 5   HIS A CD2 1 
ATOM   45   C  CE1 . HIS A 1 7  ? 36.93000 36.38300 23.36900 1.000 28.69028 ? 5   HIS A CE1 1 
ATOM   46   N  NE2 . HIS A 1 7  ? 37.18700 37.28300 22.43800 1.000 27.73490 ? 5   HIS A NE2 1 
ATOM   47   N  N   . GLY A 1 8  ? 36.47700 41.13800 26.03700 1.000 17.98110 ? 6   GLY A N   1 
ATOM   48   C  CA  . GLY A 1 8  ? 37.75900 41.80300 26.24600 1.000 18.39168 ? 6   GLY A CA  1 
ATOM   49   C  C   . GLY A 1 8  ? 38.36900 41.48700 27.59800 1.000 17.46262 ? 6   GLY A C   1 
ATOM   50   O  O   . GLY A 1 8  ? 39.58500 41.31200 27.71800 1.000 14.60701 ? 6   GLY A O   1 
ATOM   51   N  N   . GLY A 1 9  ? 37.53200 41.40400 28.63500 1.000 17.33892 ? 7   GLY A N   1 
ATOM   52   C  CA  . GLY A 1 9  ? 38.02300 41.03200 29.95200 1.000 14.73598 ? 7   GLY A CA  1 
ATOM   53   C  C   . GLY A 1 9  ? 38.53700 39.60900 30.01600 1.000 17.69423 ? 7   GLY A C   1 
ATOM   54   O  O   . GLY A 1 9  ? 39.49700 39.32700 30.73800 1.000 19.12335 ? 7   GLY A O   1 
ATOM   55   N  N   . GLN A 1 10 ? 37.92500 38.69600 29.25500 1.000 19.30495 ? 8   GLN A N   1 
ATOM   56   C  CA  . GLN A 1 10 ? 38.44400 37.33100 29.19500 1.000 21.29729 ? 8   GLN A CA  1 
ATOM   57   C  C   . GLN A 1 10 ? 39.77200 37.27100 28.45500 1.000 20.30770 ? 8   GLN A C   1 
ATOM   58   O  O   . GLN A 1 10 ? 40.69300 36.56800 28.88900 1.000 20.24190 ? 8   GLN A O   1 
ATOM   59   C  CB  . GLN A 1 10 ? 37.42600 36.40000 28.53600 1.000 24.00814 ? 8   GLN A CB  1 
ATOM   60   C  CG  . GLN A 1 10 ? 36.15900 36.22500 29.35600 1.000 30.15625 ? 8   GLN A CG  1 
ATOM   61   C  CD  . GLN A 1 10 ? 36.43100 35.69500 30.76000 1.000 38.82571 ? 8   GLN A CD  1 
ATOM   62   O  OE1 . GLN A 1 10 ? 37.33700 34.88500 30.97200 1.000 42.87883 ? 8   GLN A OE1 1 
ATOM   63   N  NE2 . GLN A 1 10 ? 35.64800 36.15900 31.72700 1.000 46.95037 ? 8   GLN A NE2 1 
ATOM   64   N  N   . VAL A 1 11 ? 39.88000 37.97500 27.32300 1.000 18.26272 ? 9   VAL A N   1 
ATOM   65   C  CA  . VAL A 1 11 ? 41.16600 38.06300 26.63100 1.000 16.04666 ? 9   VAL A CA  1 
ATOM   66   C  C   . VAL A 1 11 ? 42.21000 38.65600 27.56300 1.000 15.29920 ? 9   VAL A C   1 
ATOM   67   O  O   . VAL A 1 11 ? 43.36200 38.21100 27.59600 1.000 15.33079 ? 9   VAL A O   1 
ATOM   68   C  CB  . VAL A 1 11 ? 41.02500 38.88900 25.34000 1.000 14.24381 ? 9   VAL A CB  1 
ATOM   69   C  CG1 . VAL A 1 11 ? 42.37900 39.07700 24.67100 1.000 16.57567 ? 9   VAL A CG1 1 
ATOM   70   C  CG2 . VAL A 1 11 ? 40.05000 38.20700 24.38500 1.000 18.46537 ? 9   VAL A CG2 1 
ATOM   71   N  N   . PHE A 1 12 ? 41.81400 39.65700 28.35300 1.000 15.38606 ? 10  PHE A N   1 
ATOM   72   C  CA  . PHE A 1 12 ? 42.76000 40.29600 29.26800 1.000 14.25171 ? 10  PHE A CA  1 
ATOM   73   C  C   . PHE A 1 12 ? 43.26700 39.31900 30.32500 1.000 13.80429 ? 10  PHE A C   1 
ATOM   74   O  O   . PHE A 1 12 ? 44.47400 39.24500 30.58900 1.000 15.71241 ? 10  PHE A O   1 
ATOM   75   C  CB  . PHE A 1 12 ? 42.11700 41.51600 29.94200 1.000 11.73299 ? 10  PHE A CB  1 
ATOM   76   C  CG  . PHE A 1 12 ? 43.11100 42.35000 30.72100 1.000 14.01484 ? 10  PHE A CG  1 
ATOM   77   C  CD1 . PHE A 1 12 ? 43.85400 43.33800 30.08400 1.000 13.38055 ? 10  PHE A CD1 1 
ATOM   78   C  CD2 . PHE A 1 12 ? 43.32300 42.11600 32.07300 1.000 16.05982 ? 10  PHE A CD2 1 
ATOM   79   C  CE1 . PHE A 1 12 ? 44.79200 44.08900 30.78700 1.000 11.55665 ? 10  PHE A CE1 1 
ATOM   80   C  CE2 . PHE A 1 12 ? 44.24400 42.85800 32.79200 1.000 14.13064 ? 10  PHE A CE2 1 
ATOM   81   C  CZ  . PHE A 1 12 ? 44.98900 43.84700 32.15100 1.000 11.83037 ? 10  PHE A CZ  1 
ATOM   82   N  N   . SER A 1 13 ? 42.35600 38.59600 30.98300 1.000 17.07047 ? 11  SER A N   1 
ATOM   83   C  CA  A SER A 1 13 ? 42.77400 37.66700 32.03100 0.500 19.58919 ? 11  SER A CA  1 
ATOM   84   C  CA  B SER A 1 13 ? 42.80200 37.69300 32.03700 0.500 20.11031 ? 11  SER A CA  1 
ATOM   85   C  C   . SER A 1 13 ? 43.71800 36.60900 31.48100 1.000 20.81565 ? 11  SER A C   1 
ATOM   86   O  O   . SER A 1 13 ? 44.72300 36.26000 32.11400 1.000 20.93935 ? 11  SER A O   1 
ATOM   87   C  CB  A SER A 1 13 ? 41.55200 37.00200 32.66500 0.500 21.26044 ? 11  SER A CB  1 
ATOM   88   C  CB  B SER A 1 13 ? 41.60100 37.08600 32.76700 0.500 21.29992 ? 11  SER A CB  1 
ATOM   89   O  OG  A SER A 1 13 ? 40.64800 37.96200 33.17800 0.500 20.19189 ? 11  SER A OG  1 
ATOM   90   O  OG  B SER A 1 13 ? 40.70900 36.45900 31.87100 0.500 21.64470 ? 11  SER A OG  1 
ATOM   91   N  N   . ALA A 1 14 ? 43.41400 36.09000 30.29100 1.000 19.32074 ? 12  ALA A N   1 
ATOM   92   C  CA  . ALA A 1 14 ? 44.18600 34.98100 29.74700 1.000 20.73143 ? 12  ALA A CA  1 
ATOM   93   C  C   . ALA A 1 14 ? 45.51500 35.40100 29.14100 1.000 20.40508 ? 12  ALA A C   1 
ATOM   94   O  O   . ALA A 1 14 ? 46.41400 34.55800 29.04500 1.000 20.87619 ? 12  ALA A O   1 
ATOM   95   C  CB  . ALA A 1 14 ? 43.36000 34.23700 28.68800 1.000 22.42374 ? 12  ALA A CB  1 
ATOM   96   N  N   . ASN A 1 15 ? 45.67700 36.67200 28.75300 1.000 15.21761 ? 13  ASN A N   1 
ATOM   97   C  CA  . ASN A 1 15 ? 46.85700 37.10800 28.00600 1.000 14.03326 ? 13  ASN A CA  1 
ATOM   98   C  C   . ASN A 1 15 ? 47.62100 38.27400 28.60600 1.000 13.76744 ? 13  ASN A C   1 
ATOM   99   O  O   . ASN A 1 15 ? 48.78700 38.46400 28.23800 1.000 14.91495 ? 13  ASN A O   1 
ATOM   100  C  CB  . ASN A 1 15 ? 46.46500 37.50700 26.58200 1.000 16.03087 ? 13  ASN A CB  1 
ATOM   101  C  CG  . ASN A 1 15 ? 45.94000 36.34400 25.80500 1.000 17.96005 ? 13  ASN A CG  1 
ATOM   102  O  OD1 . ASN A 1 15 ? 46.71900 35.52900 25.29800 1.000 17.99426 ? 13  ASN A OD1 1 
ATOM   103  N  ND2 . ASN A 1 15 ? 44.61700 36.23200 25.71800 1.000 18.61539 ? 13  ASN A ND2 1 
ATOM   104  N  N   . CYS A 1 16 ? 47.00400 39.08900 29.45500 1.000 14.56490 ? 14  CYS A N   1 
ATOM   105  C  CA  . CYS A 1 16 ? 47.60900 40.33300 29.91000 1.000 13.57005 ? 14  CYS A CA  1 
ATOM   106  C  C   . CYS A 1 16 ? 47.79400 40.40900 31.41200 1.000 13.14631 ? 14  CYS A C   1 
ATOM   107  O  O   . CYS A 1 16 ? 48.70200 41.10400 31.88100 1.000 14.08590 ? 14  CYS A O   1 
ATOM   108  C  CB  . CYS A 1 16 ? 46.74800 41.52900 29.47300 1.000 11.50927 ? 14  CYS A CB  1 
ATOM   109  S  SG  . CYS A 1 16 ? 46.08100 41.40700 27.77300 1.000 12.15672 ? 14  CYS A SG  1 
ATOM   110  N  N   . ALA A 1 17 ? 46.96900 39.70500 32.17300 1.000 14.15433 ? 15  ALA A N   1 
ATOM   111  C  CA  . ALA A 1 17 ? 47.00100 39.82500 33.62200 1.000 14.79388 ? 15  ALA A CA  1 
ATOM   112  C  C   . ALA A 1 17 ? 48.29600 39.29800 34.22300 1.000 15.10971 ? 15  ALA A C   1 
ATOM   113  O  O   . ALA A 1 17 ? 48.61700 39.63700 35.36500 1.000 15.14918 ? 15  ALA A O   1 
ATOM   114  C  CB  . ALA A 1 17 ? 45.79500 39.09700 34.22000 1.000 17.05994 ? 15  ALA A CB  1 
ATOM   115  N  N   . ALA A 1 18 ? 49.06700 38.50200 33.47100 1.000 15.01496 ? 16  ALA A N   1 
ATOM   116  C  CA  . ALA A 1 18 ? 50.34400 38.03800 34.00100 1.000 15.44133 ? 16  ALA A CA  1 
ATOM   117  C  C   . ALA A 1 18 ? 51.27400 39.19800 34.31700 1.000 12.10935 ? 16  ALA A C   1 
ATOM   118  O  O   . ALA A 1 18 ? 52.13200 39.08400 35.19900 1.000 15.68083 ? 16  ALA A O   1 
ATOM   119  C  CB  . ALA A 1 18 ? 51.00700 37.08700 33.00700 1.000 17.50736 ? 16  ALA A CB  1 
ATOM   120  N  N   . CYS A 1 19 ? 51.12000 40.32600 33.60800 1.000 12.23305 ? 17  CYS A N   1 
ATOM   121  C  CA  . CYS A 1 19 ? 51.93000 41.50400 33.85300 1.000 10.28808 ? 17  CYS A CA  1 
ATOM   122  C  C   . CYS A 1 19 ? 51.13000 42.73300 34.24500 1.000 10.93552 ? 17  CYS A C   1 
ATOM   123  O  O   . CYS A 1 19 ? 51.71100 43.66000 34.82800 1.000 11.94880 ? 17  CYS A O   1 
ATOM   124  C  CB  . CYS A 1 19 ? 52.77500 41.84000 32.60500 1.000 9.64589  ? 17  CYS A CB  1 
ATOM   125  S  SG  . CYS A 1 19 ? 53.78100 40.46800 32.04000 1.000 13.58321 ? 17  CYS A SG  1 
ATOM   126  N  N   . HIS A 1 20 ? 49.81700 42.75000 34.00400 1.000 11.16976 ? 18  HIS A N   1 
ATOM   127  C  CA  . HIS A 1 20 ? 49.01800 43.95900 34.15800 1.000 10.05647 ? 18  HIS A CA  1 
ATOM   128  C  C   . HIS A 1 20 ? 47.80700 43.74800 35.06400 1.000 12.36464 ? 18  HIS A C   1 
ATOM   129  O  O   . HIS A 1 20 ? 46.82300 44.48500 34.94600 1.000 13.12263 ? 18  HIS A O   1 
ATOM   130  C  CB  . HIS A 1 20 ? 48.52300 44.48000 32.79400 1.000 9.53272  ? 18  HIS A CB  1 
ATOM   131  C  CG  . HIS A 1 20 ? 49.60100 44.91800 31.84000 1.000 9.46166  ? 18  HIS A CG  1 
ATOM   132  N  ND1 . HIS A 1 20 ? 50.45500 45.97400 32.09300 1.000 11.35136 ? 18  HIS A ND1 1 
ATOM   133  C  CD2 . HIS A 1 20 ? 49.88600 44.50300 30.58100 1.000 11.25135 ? 18  HIS A CD2 1 
ATOM   134  C  CE1 . HIS A 1 20 ? 51.23600 46.17000 31.04000 1.000 11.49612 ? 18  HIS A CE1 1 
ATOM   135  N  NE2 . HIS A 1 20 ? 50.91400 45.28700 30.10900 1.000 9.50377  ? 18  HIS A NE2 1 
ATOM   136  N  N   . LEU A 1 21 ? 47.84900 42.78000 35.98000 1.000 11.61455 ? 19  LEU A N   1 
ATOM   137  C  CA  . LEU A 1 21 ? 46.69600 42.54300 36.84500 1.000 12.04618 ? 19  LEU A CA  1 
ATOM   138  C  C   . LEU A 1 21 ? 46.24300 43.83800 37.51000 1.000 11.17239 ? 19  LEU A C   1 
ATOM   139  O  O   . LEU A 1 21 ? 47.05000 44.56100 38.09600 1.000 11.29083 ? 19  LEU A O   1 
ATOM   140  C  CB  . LEU A 1 21 ? 47.03600 41.50100 37.90700 1.000 11.68035 ? 19  LEU A CB  1 
ATOM   141  C  CG  . LEU A 1 21 ? 45.82500 41.09500 38.75000 1.000 12.74627 ? 19  LEU A CG  1 
ATOM   142  C  CD1 . LEU A 1 21 ? 44.85600 40.27400 37.90400 1.000 16.53093 ? 19  LEU A CD1 1 
ATOM   143  C  CD2 . LEU A 1 21 ? 46.30200 40.30500 39.94300 1.000 17.15995 ? 19  LEU A CD2 1 
ATOM   144  N  N   . GLY A 1 22 ? 44.95900 44.15900 37.35100 1.000 12.33306 ? 20  GLY A N   1 
ATOM   145  C  CA  . GLY A 1 22 ? 44.38800 45.34000 37.98700 1.000 14.13854 ? 20  GLY A CA  1 
ATOM   146  C  C   . GLY A 1 22 ? 44.97400 46.64400 37.50000 1.000 13.81745 ? 20  GLY A C   1 
ATOM   147  O  O   . GLY A 1 22 ? 44.94900 47.64700 38.23200 1.000 16.53883 ? 20  GLY A O   1 
ATOM   148  N  N   . GLY A 1 23 ? 45.49900 46.65900 36.27500 1.000 12.88312 ? 21  GLY A N   1 
ATOM   149  C  CA  . GLY A 1 23 ? 46.05700 47.85700 35.68900 1.000 12.50676 ? 21  GLY A CA  1 
ATOM   150  C  C   . GLY A 1 23 ? 47.51500 48.08500 35.99000 1.000 12.53308 ? 21  GLY A C   1 
ATOM   151  O  O   . GLY A 1 23 ? 48.06100 49.10800 35.56500 1.000 12.95418 ? 21  GLY A O   1 
ATOM   152  N  N   . ARG A 1 24 ? 48.15500 47.17700 36.72100 1.000 10.04594 ? 22  ARG A N   1 
ATOM   153  C  CA  . ARG A 1 24 ? 49.57100 47.28900 37.04900 1.000 9.86171  ? 22  ARG A CA  1 
ATOM   154  C  C   . ARG A 1 24 ? 50.44000 47.20400 35.79600 1.000 12.36201 ? 22  ARG A C   1 
ATOM   155  O  O   . ARG A 1 24 ? 49.97200 46.93100 34.68800 1.000 12.70942 ? 22  ARG A O   1 
ATOM   156  C  CB  . ARG A 1 24 ? 49.99000 46.15900 37.98500 1.000 12.16462 ? 22  ARG A CB  1 
ATOM   157  C  CG  . ARG A 1 24 ? 49.38600 46.21400 39.39600 1.000 12.61467 ? 22  ARG A CG  1 
ATOM   158  C  CD  . ARG A 1 24 ? 49.68600 44.90500 40.10500 1.000 14.62807 ? 22  ARG A CD  1 
ATOM   159  N  NE  . ARG A 1 24 ? 49.27600 44.87500 41.50800 1.000 15.15971 ? 22  ARG A NE  1 
ATOM   160  C  CZ  . ARG A 1 24 ? 48.08900 44.45200 41.91800 1.000 15.05444 ? 22  ARG A CZ  1 
ATOM   161  N  NH1 . ARG A 1 24 ? 47.14400 44.10300 41.05400 1.000 13.52004 ? 22  ARG A NH1 1 
ATOM   162  N  NH2 . ARG A 1 24 ? 47.83900 44.37400 43.22900 1.000 13.13052 ? 22  ARG A NH2 1 
ATOM   163  N  N   . ASN A 1 25 ? 51.73900 47.40500 36.00100 1.000 11.73299 ? 23  ASN A N   1 
ATOM   164  C  CA  . ASN A 1 25 ? 52.74100 46.87300 35.07900 1.000 9.60378  ? 23  ASN A CA  1 
ATOM   165  C  C   . ASN A 1 25 ? 53.87700 46.38400 35.96800 1.000 11.64877 ? 23  ASN A C   1 
ATOM   166  O  O   . ASN A 1 25 ? 54.68800 47.19400 36.42600 1.000 12.93313 ? 23  ASN A O   1 
ATOM   167  C  CB  . ASN A 1 25 ? 53.21900 47.90400 34.06500 1.000 11.62508 ? 23  ASN A CB  1 
ATOM   168  C  CG  . ASN A 1 25 ? 54.16000 47.28600 33.03700 1.000 13.17263 ? 23  ASN A CG  1 
ATOM   169  O  OD1 . ASN A 1 25 ? 54.76900 46.25100 33.30400 1.000 13.73849 ? 23  ASN A OD1 1 
ATOM   170  N  ND2 . ASN A 1 25 ? 54.25900 47.89400 31.85100 1.000 11.22240 ? 23  ASN A ND2 1 
ATOM   171  N  N   . VAL A 1 26 ? 53.89800 45.07500 36.25000 1.000 10.83025 ? 24  VAL A N   1 
ATOM   172  C  CA  . VAL A 1 26 ? 54.89200 44.54900 37.18500 1.000 12.21462 ? 24  VAL A CA  1 
ATOM   173  C  C   . VAL A 1 26 ? 56.27300 44.53600 36.56100 1.000 14.04642 ? 24  VAL A C   1 
ATOM   174  O  O   . VAL A 1 26 ? 57.26500 44.47400 37.28400 1.000 14.02273 ? 24  VAL A O   1 
ATOM   175  C  CB  . VAL A 1 26 ? 54.54300 43.13000 37.68100 1.000 10.90131 ? 24  VAL A CB  1 
ATOM   176  C  CG1 . VAL A 1 26 ? 53.15500 43.12300 38.34500 1.000 13.35686 ? 24  VAL A CG1 1 
ATOM   177  C  CG2 . VAL A 1 26 ? 54.61200 42.11200 36.53800 1.000 14.97811 ? 24  VAL A CG2 1 
ATOM   178  N  N   . VAL A 1 27 ? 56.36800 44.58800 35.24000 1.000 12.14619 ? 25  VAL A N   1 
ATOM   179  C  CA  . VAL A 1 27 ? 57.67500 44.54100 34.58000 1.000 11.25924 ? 25  VAL A CA  1 
ATOM   180  C  C   . VAL A 1 27 ? 58.31200 45.91700 34.48800 1.000 14.17802 ? 25  VAL A C   1 
ATOM   181  O  O   . VAL A 1 27 ? 59.48000 46.10800 34.85400 1.000 14.55964 ? 25  VAL A O   1 
ATOM   182  C  CB  . VAL A 1 27 ? 57.52700 43.90800 33.18000 1.000 10.75392 ? 25  VAL A CB  1 
ATOM   183  C  CG1 . VAL A 1 27 ? 58.84600 44.00000 32.43900 1.000 14.40699 ? 25  VAL A CG1 1 
ATOM   184  C  CG2 . VAL A 1 27 ? 57.05600 42.45900 33.29000 1.000 13.43582 ? 25  VAL A CG2 1 
ATOM   185  N  N   . ASN A 1 28 ? 57.57100 46.89600 33.97700 1.000 12.69100 ? 26  ASN A N   1 
ATOM   186  C  CA  . ASN A 1 28 ? 58.03300 48.27700 33.88200 1.000 13.23317 ? 26  ASN A CA  1 
ATOM   187  C  C   . ASN A 1 28 ? 57.05000 49.13000 34.66900 1.000 13.88588 ? 26  ASN A C   1 
ATOM   188  O  O   . ASN A 1 28 ? 56.02500 49.56900 34.12900 1.000 13.12263 ? 26  ASN A O   1 
ATOM   189  C  CB  . ASN A 1 28 ? 58.13400 48.73300 32.42100 1.000 12.18304 ? 26  ASN A CB  1 
ATOM   190  C  CG  . ASN A 1 28 ? 58.71600 50.12100 32.28700 1.000 21.97632 ? 26  ASN A CG  1 
ATOM   191  O  OD1 . ASN A 1 28 ? 58.76400 50.88500 33.25800 1.000 22.76326 ? 26  ASN A OD1 1 
ATOM   192  N  ND2 . ASN A 1 28 ? 59.17200 50.45800 31.08800 1.000 26.29789 ? 26  ASN A ND2 1 
ATOM   193  N  N   . PRO A 1 29 ? 57.31900 49.38500 35.95500 1.000 12.95155 ? 27  PRO A N   1 
ATOM   194  C  CA  . PRO A 1 29 ? 56.33200 50.08300 36.79000 1.000 14.04116 ? 27  PRO A CA  1 
ATOM   195  C  C   . PRO A 1 29 ? 56.01000 51.50000 36.34200 1.000 15.86243 ? 27  PRO A C   1 
ATOM   196  O  O   . PRO A 1 29 ? 55.05100 52.08100 36.85600 1.000 16.11509 ? 27  PRO A O   1 
ATOM   197  C  CB  . PRO A 1 29 ? 56.98900 50.08500 38.17800 1.000 14.64386 ? 27  PRO A CB  1 
ATOM   198  C  CG  . PRO A 1 29 ? 57.85200 48.85900 38.17200 1.000 18.74435 ? 27  PRO A CG  1 
ATOM   199  C  CD  . PRO A 1 29 ? 58.39600 48.77400 36.75000 1.000 17.12837 ? 27  PRO A CD  1 
ATOM   200  N  N   . ALA A 1 30 ? 56.78500 52.09100 35.43500 1.000 16.70990 ? 28  ALA A N   1 
ATOM   201  C  CA  . ALA A 1 30 ? 56.45600 53.43000 34.96400 1.000 15.21235 ? 28  ALA A CA  1 
ATOM   202  C  C   . ALA A 1 30 ? 55.37200 53.42700 33.90500 1.000 16.53093 ? 28  ALA A C   1 
ATOM   203  O  O   . ALA A 1 30 ? 54.83500 54.49900 33.59100 1.000 18.89174 ? 28  ALA A O   1 
ATOM   204  C  CB  . ALA A 1 30 ? 57.69900 54.11700 34.38300 1.000 18.86016 ? 28  ALA A CB  1 
ATOM   205  N  N   . LYS A 1 31 ? 55.06000 52.26500 33.33900 1.000 13.91219 ? 29  LYS A N   1 
ATOM   206  C  CA  . LYS A 1 31 ? 54.14200 52.22700 32.20700 1.000 12.79364 ? 29  LYS A CA  1 
ATOM   207  C  C   . LYS A 1 31 ? 52.93500 51.35400 32.51400 1.000 12.39096 ? 29  LYS A C   1 
ATOM   208  O  O   . LYS A 1 31 ? 52.72000 50.32400 31.86700 1.000 13.84113 ? 29  LYS A O   1 
ATOM   209  C  CB  . LYS A 1 31 ? 54.88900 51.73500 30.97400 1.000 15.12550 ? 29  LYS A CB  1 
ATOM   210  C  CG  . LYS A 1 31 ? 55.96300 52.74300 30.55400 1.000 18.42063 ? 29  LYS A CG  1 
ATOM   211  C  CD  . LYS A 1 31 ? 56.67900 52.34400 29.29000 1.000 22.35005 ? 29  LYS A CD  1 
ATOM   212  C  CE  . LYS A 1 31 ? 57.60400 53.46500 28.85000 1.000 25.31619 ? 29  LYS A CE  1 
ATOM   213  N  NZ  . LYS A 1 31 ? 58.38000 53.08500 27.63800 1.000 32.45652 ? 29  LYS A NZ  1 
ATOM   214  N  N   . THR A 1 32 ? 52.14100 51.76400 33.50400 1.000 14.12011 ? 30  THR A N   1 
ATOM   215  C  CA  . THR A 1 32 ? 50.96700 51.00400 33.90500 1.000 14.95706 ? 30  THR A CA  1 
ATOM   216  C  C   . THR A 1 32 ? 49.81000 51.27800 32.95700 1.000 13.01209 ? 30  THR A C   1 
ATOM   217  O  O   . THR A 1 32 ? 49.92200 52.04700 31.99800 1.000 15.06233 ? 30  THR A O   1 
ATOM   218  C  CB  . THR A 1 32 ? 50.54000 51.34400 35.33300 1.000 13.61216 ? 30  THR A CB  1 
ATOM   219  O  OG1 . THR A 1 32 ? 49.90400 52.63300 35.35000 1.000 15.65977 ? 30  THR A OG1 1 
ATOM   220  C  CG2 . THR A 1 32 ? 51.75700 51.34800 36.28400 1.000 15.48607 ? 30  THR A CG2 1 
ATOM   221  N  N   . LEU A 1 33 ? 48.67900 50.63700 33.23500 1.000 12.88049 ? 31  LEU A N   1 
ATOM   222  C  CA  . LEU A 1 33 ? 47.46600 50.88200 32.47700 1.000 12.04355 ? 31  LEU A CA  1 
ATOM   223  C  C   . LEU A 1 33 ? 46.56000 51.87700 33.17900 1.000 14.39383 ? 31  LEU A C   1 
ATOM   224  O  O   . LEU A 1 33 ? 45.39700 52.02300 32.79500 1.000 15.99929 ? 31  LEU A O   1 
ATOM   225  C  CB  . LEU A 1 33 ? 46.72600 49.56800 32.20400 1.000 12.92523 ? 31  LEU A CB  1 
ATOM   226  C  CG  . LEU A 1 33 ? 47.57700 48.41100 31.67600 1.000 12.62257 ? 31  LEU A CG  1 
ATOM   227  C  CD1 . LEU A 1 33 ? 46.67700 47.22600 31.31800 1.000 12.95682 ? 31  LEU A CD1 1 
ATOM   228  C  CD2 . LEU A 1 33 ? 48.39500 48.84600 30.45500 1.000 13.16737 ? 31  LEU A CD2 1 
ATOM   229  N  N   . GLN A 1 34 ? 47.06900 52.56900 34.19300 1.000 14.53332 ? 32  GLN A N   1 
ATOM   230  C  CA  . GLN A 1 34 ? 46.32300 53.67700 34.76800 1.000 16.31248 ? 32  GLN A CA  1 
ATOM   231  C  C   . GLN A 1 34 ? 46.26900 54.82900 33.77500 1.000 15.85190 ? 32  GLN A C   1 
ATOM   232  O  O   . GLN A 1 34 ? 47.18700 55.03200 32.97300 1.000 17.35208 ? 32  GLN A O   1 
ATOM   233  C  CB  . GLN A 1 34 ? 46.97000 54.15600 36.06500 1.000 15.38606 ? 32  GLN A CB  1 
ATOM   234  C  CG  . GLN A 1 34 ? 47.12600 53.09600 37.12800 1.000 21.99737 ? 32  GLN A CG  1 
ATOM   235  C  CD  . GLN A 1 34 ? 47.96200 53.61700 38.28500 1.000 32.81709 ? 32  GLN A CD  1 
ATOM   236  O  OE1 . GLN A 1 34 ? 49.18300 53.73600 38.17500 1.000 36.73072 ? 32  GLN A OE1 1 
ATOM   237  N  NE2 . GLN A 1 34 ? 47.30600 53.95500 39.38800 1.000 38.90203 ? 32  GLN A NE2 1 
ATOM   238  N  N   . LYS A 1 35 ? 45.17900 55.59700 33.84400 1.000 16.09140 ? 33  LYS A N   1 
ATOM   239  C  CA  . LYS A 1 35 ? 44.91900 56.60200 32.81900 1.000 17.63369 ? 33  LYS A CA  1 
ATOM   240  C  C   . LYS A 1 35 ? 46.05300 57.61400 32.71700 1.000 18.57065 ? 33  LYS A C   1 
ATOM   241  O  O   . LYS A 1 35 ? 46.41700 58.03700 31.61400 1.000 19.81290 ? 33  LYS A O   1 
ATOM   242  C  CB  . LYS A 1 35 ? 43.59600 57.31300 33.09600 1.000 18.58644 ? 33  LYS A CB  1 
ATOM   243  C  CG  . LYS A 1 35 ? 43.19600 58.26200 31.97100 1.000 25.81099 ? 33  LYS A CG  1 
ATOM   244  C  CD  . LYS A 1 35 ? 41.89300 58.97300 32.29000 1.000 31.99594 ? 33  LYS A CD  1 
ATOM   245  C  CE  . LYS A 1 35 ? 41.52200 59.98100 31.20300 1.000 37.50976 ? 33  LYS A CE  1 
ATOM   246  N  NZ  . LYS A 1 35 ? 42.45200 61.15100 31.19900 1.000 34.79628 ? 33  LYS A NZ  1 
ATOM   247  N  N   . ALA A 1 36 ? 46.62100 58.01800 33.85400 1.000 19.54182 ? 34  ALA A N   1 
ATOM   248  C  CA  . ALA A 1 36 ? 47.67700 59.02300 33.81200 1.000 21.69734 ? 34  ALA A CA  1 
ATOM   249  C  C   . ALA A 1 36 ? 48.87400 58.52900 33.00900 1.000 20.13136 ? 34  ALA A C   1 
ATOM   250  O  O   . ALA A 1 36 ? 49.47500 59.29000 32.24200 1.000 20.74986 ? 34  ALA A O   1 
ATOM   251  C  CB  . ALA A 1 36 ? 48.09400 59.39800 35.22900 1.000 24.61348 ? 34  ALA A CB  1 
ATOM   252  N  N   . ASP A 1 37 ? 49.22800 57.25600 33.17000 1.000 17.06520 ? 35  ASP A N   1 
ATOM   253  C  CA  . ASP A 1 37 ? 50.33400 56.68500 32.41200 1.000 18.66540 ? 35  ASP A CA  1 
ATOM   254  C  C   . ASP A 1 37 ? 49.97400 56.53300 30.93500 1.000 18.74435 ? 35  ASP A C   1 
ATOM   255  O  O   . ASP A 1 37 ? 50.77800 56.87100 30.05900 1.000 17.33103 ? 35  ASP A O   1 
ATOM   256  C  CB  . ASP A 1 37 ? 50.73800 55.33700 33.01200 1.000 15.86506 ? 35  ASP A CB  1 
ATOM   257  C  CG  . ASP A 1 37 ? 51.59700 55.47500 34.26700 1.000 21.16043 ? 35  ASP A CG  1 
ATOM   258  O  OD1 . ASP A 1 37 ? 51.97900 56.60800 34.63900 1.000 20.09715 ? 35  ASP A OD1 1 
ATOM   259  O  OD2 . ASP A 1 37 ? 51.88700 54.43100 34.88700 1.000 19.86028 ? 35  ASP A OD2 1 
ATOM   260  N  N   . LEU A 1 38 ? 48.77300 56.02000 30.62900 1.000 16.53619 ? 36  LEU A N   1 
ATOM   261  C  CA  . LEU A 1 38 ? 48.37400 55.94200 29.22400 1.000 17.24417 ? 36  LEU A CA  1 
ATOM   262  C  C   . LEU A 1 38 ? 48.44600 57.31300 28.56900 1.000 17.57053 ? 36  LEU A C   1 
ATOM   263  O  O   . LEU A 1 38 ? 48.92000 57.44500 27.43100 1.000 20.72091 ? 36  LEU A O   1 
ATOM   264  C  CB  . LEU A 1 38 ? 46.96400 55.36300 29.09000 1.000 16.78886 ? 36  LEU A CB  1 
ATOM   265  C  CG  . LEU A 1 38 ? 46.80200 53.93000 29.60400 1.000 15.22551 ? 36  LEU A CG  1 
ATOM   266  C  CD1 . LEU A 1 38 ? 45.38300 53.43900 29.39000 1.000 14.46752 ? 36  LEU A CD1 1 
ATOM   267  C  CD2 . LEU A 1 38 ? 47.77800 52.99800 28.90800 1.000 13.67796 ? 36  LEU A CD2 1 
ATOM   268  N  N   . ASP A 1 39 ? 47.99600 58.34900 29.28000 1.000 17.30997 ? 37  ASP A N   1 
ATOM   269  C  CA  . ASP A 1 39 ? 48.02300 59.70500 28.73800 1.000 19.13124 ? 37  ASP A CA  1 
ATOM   270  C  C   . ASP A 1 39 ? 49.45200 60.19500 28.53600 1.000 20.88935 ? 37  ASP A C   1 
ATOM   271  O  O   . ASP A 1 39 ? 49.75200 60.85100 27.52900 1.000 24.68454 ? 37  ASP A O   1 
ATOM   272  C  CB  . ASP A 1 39 ? 47.26300 60.66000 29.66600 1.000 20.46824 ? 37  ASP A CB  1 
ATOM   273  C  CG  . ASP A 1 39 ? 45.75400 60.46200 29.61400 1.000 22.22372 ? 37  ASP A CG  1 
ATOM   274  O  OD1 . ASP A 1 39 ? 45.25000 59.90500 28.62300 1.000 23.48439 ? 37  ASP A OD1 1 
ATOM   275  O  OD2 . ASP A 1 39 ? 45.06300 60.87400 30.57000 1.000 27.05324 ? 37  ASP A OD2 1 
ATOM   276  N  N   . GLN A 1 40 ? 50.34500 59.88600 29.48200 1.000 21.83420 ? 38  GLN A N   1 
ATOM   277  C  CA  . GLN A 1 40 ? 51.73000 60.34900 29.39600 1.000 21.59733 ? 38  GLN A CA  1 
ATOM   278  C  C   . GLN A 1 40 ? 52.42500 59.81800 28.14800 1.000 24.51347 ? 38  GLN A C   1 
ATOM   279  O  O   . GLN A 1 40 ? 53.24000 60.52000 27.53100 1.000 22.48691 ? 38  GLN A O   1 
ATOM   280  C  CB  . GLN A 1 40 ? 52.50300 59.93100 30.65600 1.000 22.09739 ? 38  GLN A CB  1 
ATOM   281  C  CG  . GLN A 1 40 ? 53.99200 60.25900 30.57300 1.000 28.81661 ? 38  GLN A CG  1 
ATOM   282  C  CD  . GLN A 1 40 ? 54.75500 59.92600 31.84000 1.000 27.94546 ? 38  GLN A CD  1 
ATOM   283  O  OE1 . GLN A 1 40 ? 54.18600 59.45200 32.82600 1.000 30.96424 ? 38  GLN A OE1 1 
ATOM   284  N  NE2 . GLN A 1 40 ? 56.05900 60.17700 31.81800 1.000 33.91459 ? 38  GLN A NE2 1 
ATOM   285  N  N   . TYR A 1 41 ? 52.12300 58.58200 27.75900 1.000 19.22336 ? 39  TYR A N   1 
ATOM   286  C  CA  . TYR A 1 41 ? 52.84200 57.92000 26.68100 1.000 21.04200 ? 39  TYR A CA  1 
ATOM   287  C  C   . TYR A 1 41 ? 52.02500 57.82000 25.40300 1.000 21.67102 ? 39  TYR A C   1 
ATOM   288  O  O   . TYR A 1 41 ? 52.44900 57.14600 24.45400 1.000 22.48691 ? 39  TYR A O   1 
ATOM   289  C  CB  . TYR A 1 41 ? 53.30600 56.54100 27.14500 1.000 20.03398 ? 39  TYR A CB  1 
ATOM   290  C  CG  . TYR A 1 41 ? 54.22500 56.62800 28.34800 1.000 20.23137 ? 39  TYR A CG  1 
ATOM   291  C  CD1 . TYR A 1 41 ? 55.48900 57.20600 28.24100 1.000 24.99510 ? 39  TYR A CD1 1 
ATOM   292  C  CD2 . TYR A 1 41 ? 53.82000 56.16000 29.59500 1.000 19.78132 ? 39  TYR A CD2 1 
ATOM   293  C  CE1 . TYR A 1 41 ? 56.33900 57.29900 29.35100 1.000 21.43152 ? 39  TYR A CE1 1 
ATOM   294  C  CE2 . TYR A 1 41 ? 54.65400 56.24700 30.69900 1.000 22.89222 ? 39  TYR A CE2 1 
ATOM   295  C  CZ  . TYR A 1 41 ? 55.91200 56.81700 30.57000 1.000 26.56634 ? 39  TYR A CZ  1 
ATOM   296  O  OH  . TYR A 1 41 ? 56.74200 56.90200 31.67000 1.000 23.67126 ? 39  TYR A OH  1 
ATOM   297  N  N   . GLY A 1 42 ? 50.88000 58.49300 25.33900 1.000 23.09751 ? 40  GLY A N   1 
ATOM   298  C  CA  . GLY A 1 42 ? 50.10900 58.51100 24.10700 1.000 21.56311 ? 40  GLY A CA  1 
ATOM   299  C  C   . GLY A 1 42 ? 49.41000 57.20800 23.80400 1.000 21.36309 ? 40  GLY A C   1 
ATOM   300  O  O   . GLY A 1 42 ? 49.18200 56.88600 22.63000 1.000 21.34730 ? 40  GLY A O   1 
ATOM   301  N  N   . MET A 1 43 ? 49.06200 56.44400 24.83900 1.000 18.79436 ? 41  MET A N   1 
ATOM   302  C  CA  . MET A 1 43 ? 48.49300 55.11600 24.67800 1.000 17.28102 ? 41  MET A CA  1 
ATOM   303  C  C   . MET A 1 43 ? 47.01500 55.06800 25.05300 1.000 16.39933 ? 41  MET A C   1 
ATOM   304  O  O   . MET A 1 43 ? 46.44300 53.97900 25.14500 1.000 20.33402 ? 41  MET A O   1 
ATOM   305  C  CB  . MET A 1 43 ? 49.29500 54.11100 25.51500 1.000 16.09403 ? 41  MET A CB  1 
ATOM   306  C  CG  . MET A 1 43 ? 50.73200 53.94000 25.05200 1.000 16.77833 ? 41  MET A CG  1 
ATOM   307  S  SD  . MET A 1 43 ? 50.75200 53.18000 23.42300 1.000 20.69985 ? 41  MET A SD  1 
ATOM   308  C  CE  . MET A 1 43 ? 50.01500 51.60700 23.77500 1.000 20.84460 ? 41  MET A CE  1 
ATOM   309  N  N   . ALA A 1 44 ? 46.37900 56.21700 25.26300 1.000 17.36787 ? 42  ALA A N   1 
ATOM   310  C  CA  . ALA A 1 44 ? 44.99200 56.23200 25.73300 1.000 18.03111 ? 42  ALA A CA  1 
ATOM   311  C  C   . ALA A 1 44 ? 44.02500 56.25600 24.54600 1.000 21.68418 ? 42  ALA A C   1 
ATOM   312  O  O   . ALA A 1 44 ? 43.19800 57.15400 24.38200 1.000 22.15792 ? 42  ALA A O   1 
ATOM   313  C  CB  . ALA A 1 44 ? 44.75900 57.41100 26.67300 1.000 19.58393 ? 42  ALA A CB  1 
ATOM   314  N  N   . SER A 1 45 ? 44.14800 55.24000 23.69600 1.000 16.58357 ? 43  SER A N   1 
ATOM   315  C  CA  . SER A 1 45 ? 43.21800 55.10400 22.58400 1.000 19.85764 ? 43  SER A CA  1 
ATOM   316  C  C   . SER A 1 45 ? 43.17400 53.65200 22.14600 1.000 19.57603 ? 43  SER A C   1 
ATOM   317  O  O   . SER A 1 45 ? 44.10700 52.87900 22.38400 1.000 16.68095 ? 43  SER A O   1 
ATOM   318  C  CB  . SER A 1 45 ? 43.60500 55.98600 21.39700 1.000 20.79986 ? 43  SER A CB  1 
ATOM   319  O  OG  . SER A 1 45 ? 44.78900 55.51200 20.77300 1.000 18.89437 ? 43  SER A OG  1 
ATOM   320  N  N   . ILE A 1 46 ? 42.07300 53.29900 21.48200 1.000 18.59433 ? 44  ILE A N   1 
ATOM   321  C  CA  . ILE A 1 46 ? 41.94500 51.95500 20.92600 1.000 17.37314 ? 44  ILE A CA  1 
ATOM   322  C  C   . ILE A 1 46 ? 43.06400 51.67800 19.93500 1.000 17.02573 ? 44  ILE A C   1 
ATOM   323  O  O   . ILE A 1 46 ? 43.70500 50.62100 19.98000 1.000 19.12598 ? 44  ILE A O   1 
ATOM   324  C  CB  . ILE A 1 46 ? 40.56300 51.76700 20.27300 1.000 20.77881 ? 44  ILE A CB  1 
ATOM   325  C  CG1 . ILE A 1 46 ? 39.44500 51.92300 21.30300 1.000 23.45808 ? 44  ILE A CG1 1 
ATOM   326  C  CG2 . ILE A 1 46 ? 40.49700 50.41200 19.57200 1.000 24.23185 ? 44  ILE A CG2 1 
ATOM   327  C  CD1 . ILE A 1 46 ? 39.55200 50.97700 22.46500 1.000 23.54756 ? 44  ILE A CD1 1 
ATOM   328  N  N   . GLU A 1 47 ? 43.32400 52.62100 19.02300 1.000 17.48368 ? 45  GLU A N   1 
ATOM   329  C  CA  . GLU A 1 47 ? 44.30700 52.33600 17.98200 1.000 18.78383 ? 45  GLU A CA  1 
ATOM   330  C  C   . GLU A 1 47 ? 45.71300 52.20500 18.55900 1.000 16.22300 ? 45  GLU A C   1 
ATOM   331  O  O   . GLU A 1 47 ? 46.49100 51.37000 18.09400 1.000 18.34957 ? 45  GLU A O   1 
ATOM   332  C  CB  . GLU A 1 47 ? 44.27300 53.39400 16.86700 1.000 21.42362 ? 45  GLU A CB  1 
ATOM   333  C  CG  . GLU A 1 47 ? 44.66800 54.82400 17.25300 1.000 19.57866 ? 45  GLU A CG  1 
ATOM   334  C  CD  . GLU A 1 47 ? 46.17700 55.06200 17.33200 1.000 23.89497 ? 45  GLU A CD  1 
ATOM   335  O  OE1 . GLU A 1 47 ? 46.96600 54.29100 16.74600 1.000 23.37649 ? 45  GLU A OE1 1 
ATOM   336  O  OE2 . GLU A 1 47 ? 46.58200 56.03400 18.00000 1.000 21.82104 ? 45  GLU A OE2 1 
ATOM   337  N  N   . ALA A 1 48 ? 46.05800 53.00300 19.57800 1.000 16.46776 ? 46  ALA A N   1 
ATOM   338  C  CA  . ALA A 1 48 ? 47.40400 52.90000 20.13500 1.000 17.30207 ? 46  ALA A CA  1 
ATOM   339  C  C   . ALA A 1 48 ? 47.58200 51.58500 20.88700 1.000 16.30459 ? 46  ALA A C   1 
ATOM   340  O  O   . ALA A 1 48 ? 48.60700 50.90300 20.73000 1.000 16.03613 ? 46  ALA A O   1 
ATOM   341  C  CB  . ALA A 1 48 ? 47.69700 54.08900 21.05500 1.000 20.83145 ? 46  ALA A CB  1 
ATOM   342  N  N   . ILE A 1 49 ? 46.58700 51.21200 21.69700 1.000 16.03087 ? 47  ILE A N   1 
ATOM   343  C  CA  . ILE A 1 49 ? 46.64700 49.94000 22.41000 1.000 17.31260 ? 47  ILE A CA  1 
ATOM   344  C  C   . ILE A 1 49 ? 46.69200 48.78400 21.42000 1.000 15.85453 ? 47  ILE A C   1 
ATOM   345  O  O   . ILE A 1 49 ? 47.44400 47.81800 21.59700 1.000 15.56239 ? 47  ILE A O   1 
ATOM   346  C  CB  . ILE A 1 49 ? 45.45000 49.80800 23.36800 1.000 14.87547 ? 47  ILE A CB  1 
ATOM   347  C  CG1 . ILE A 1 49 ? 45.51500 50.86900 24.48100 1.000 16.00192 ? 47  ILE A CG1 1 
ATOM   348  C  CG2 . ILE A 1 49 ? 45.40400 48.39900 23.95900 1.000 13.55426 ? 47  ILE A CG2 1 
ATOM   349  C  CD1 . ILE A 1 49 ? 44.21700 50.98800 25.28400 1.000 15.97823 ? 47  ILE A CD1 1 
ATOM   350  N  N   . THR A 1 50 ? 45.88600 48.86900 20.35700 1.000 15.50712 ? 48  THR A N   1 
ATOM   351  C  CA  . THR A 1 50 ? 45.87200 47.82300 19.34400 1.000 16.51514 ? 48  THR A CA  1 
ATOM   352  C  C   . THR A 1 50 ? 47.24400 47.65600 18.70700 1.000 17.03889 ? 48  THR A C   1 
ATOM   353  O  O   . THR A 1 50 ? 47.71000 46.53100 18.50100 1.000 16.28090 ? 48  THR A O   1 
ATOM   354  C  CB  . THR A 1 50 ? 44.82200 48.15000 18.27500 1.000 17.08363 ? 48  THR A CB  1 
ATOM   355  O  OG1 . THR A 1 50 ? 43.51100 48.12400 18.86700 1.000 17.68370 ? 48  THR A OG1 1 
ATOM   356  C  CG2 . THR A 1 50 ? 44.88800 47.14000 17.13700 1.000 19.61814 ? 48  THR A CG2 1 
ATOM   357  N  N   . THR A 1 51 ? 47.91100 48.76600 18.40300 1.000 16.79412 ? 49  THR A N   1 
ATOM   358  C  CA  . THR A 1 51 ? 49.23400 48.67700 17.79700 1.000 18.26798 ? 49  THR A CA  1 
ATOM   359  C  C   . THR A 1 51 ? 50.21800 47.97300 18.72400 1.000 15.85716 ? 49  THR A C   1 
ATOM   360  O  O   . THR A 1 51 ? 50.96900 47.09300 18.28800 1.000 19.37338 ? 49  THR A O   1 
ATOM   361  C  CB  . THR A 1 51 ? 49.73200 50.07300 17.44100 1.000 22.10791 ? 49  THR A CB  1 
ATOM   362  O  OG1 . THR A 1 51 ? 48.95100 50.57500 16.34900 1.000 21.35782 ? 49  THR A OG1 1 
ATOM   363  C  CG2 . THR A 1 51 ? 51.21000 50.03600 17.04900 1.000 21.75524 ? 49  THR A CG2 1 
ATOM   364  N  N   . GLN A 1 52 ? 50.19600 48.31700 20.01300 1.000 15.82821 ? 50  GLN A N   1 
ATOM   365  C  CA  . GLN A 1 52 ? 51.17300 47.74100 20.93000 1.000 16.93361 ? 50  GLN A CA  1 
ATOM   366  C  C   . GLN A 1 52 ? 50.87700 46.27400 21.21000 1.000 16.18878 ? 50  GLN A C   1 
ATOM   367  O  O   . GLN A 1 52 ? 51.80000 45.45500 21.29500 1.000 18.01532 ? 50  GLN A O   1 
ATOM   368  C  CB  . GLN A 1 52 ? 51.21900 48.53100 22.22700 1.000 18.88121 ? 50  GLN A CB  1 
ATOM   369  C  CG  . GLN A 1 52 ? 52.37500 48.06000 23.10000 1.000 17.39156 ? 50  GLN A CG  1 
ATOM   370  C  CD  . GLN A 1 52 ? 53.08200 49.20500 23.75900 1.000 21.55522 ? 50  GLN A CD  1 
ATOM   371  O  OE1 . GLN A 1 52 ? 53.26900 50.26300 23.15500 1.000 24.95826 ? 50  GLN A OE1 1 
ATOM   372  N  NE2 . GLN A 1 52 ? 53.48600 49.00600 25.01100 1.000 20.20242 ? 50  GLN A NE2 1 
ATOM   373  N  N   . VAL A 1 53 ? 49.59900 45.91900 21.34600 1.000 14.25171 ? 51  VAL A N   1 
ATOM   374  C  CA  . VAL A 1 53 ? 49.23600 44.51400 21.50200 1.000 12.56466 ? 51  VAL A CA  1 
ATOM   375  C  C   . VAL A 1 53 ? 49.64900 43.71500 20.27100 1.000 16.14930 ? 51  VAL A C   1 
ATOM   376  O  O   . VAL A 1 53 ? 50.17100 42.59900 20.38200 1.000 15.25709 ? 51  VAL A O   1 
ATOM   377  C  CB  . VAL A 1 53 ? 47.72900 44.39600 21.78300 1.000 13.02525 ? 51  VAL A CB  1 
ATOM   378  C  CG1 . VAL A 1 53 ? 47.27000 42.93600 21.75800 1.000 13.41213 ? 51  VAL A CG1 1 
ATOM   379  C  CG2 . VAL A 1 53 ? 47.43000 45.03800 23.13200 1.000 13.14368 ? 51  VAL A CG2 1 
ATOM   380  N  N   . THR A 1 54 ? 49.42300 44.26900 19.08100 1.000 15.90191 ? 52  THR A N   1 
ATOM   381  C  CA  . THR A 1 54 ? 49.72900 43.53000 17.85700 1.000 14.49384 ? 52  THR A CA  1 
ATOM   382  C  C   . THR A 1 54 ? 51.23300 43.31400 17.70400 1.000 16.44934 ? 52  THR A C   1 
ATOM   383  O  O   . THR A 1 54 ? 51.68600 42.19900 17.41100 1.000 16.50461 ? 52  THR A O   1 
ATOM   384  C  CB  . THR A 1 54 ? 49.15500 44.26800 16.63900 1.000 15.64135 ? 52  THR A CB  1 
ATOM   385  O  OG1 . THR A 1 54 ? 47.73500 44.40400 16.78300 1.000 18.83121 ? 52  THR A OG1 1 
ATOM   386  C  CG2 . THR A 1 54 ? 49.44500 43.49300 15.34000 1.000 17.38893 ? 52  THR A CG2 1 
ATOM   387  N  N   . ASN A 1 55 ? 52.02500 44.36500 17.91100 1.000 18.36273 ? 53  ASN A N   1 
ATOM   388  C  CA  . ASN A 1 55 ? 53.44300 44.33000 17.56600 1.000 17.30471 ? 53  ASN A CA  1 
ATOM   389  C  C   . ASN A 1 55 ? 54.36400 44.05700 18.74500 1.000 16.38354 ? 53  ASN A C   1 
ATOM   390  O  O   . ASN A 1 55 ? 55.53000 43.69900 18.51500 1.000 17.97058 ? 53  ASN A O   1 
ATOM   391  C  CB  . ASN A 1 55 ? 53.86500 45.65200 16.91900 1.000 20.23664 ? 53  ASN A CB  1 
ATOM   392  C  CG  . ASN A 1 55 ? 53.13400 45.92000 15.61700 1.000 23.61073 ? 53  ASN A CG  1 
ATOM   393  O  OD1 . ASN A 1 55 ? 52.65200 44.99400 14.96000 1.000 23.58441 ? 53  ASN A OD1 1 
ATOM   394  N  ND2 . ASN A 1 55 ? 53.04000 47.18800 15.24300 1.000 27.99283 ? 53  ASN A ND2 1 
ATOM   395  N  N   . GLY A 1 56 ? 53.87400 44.19700 19.98100 1.000 15.56766 ? 54  GLY A N   1 
ATOM   396  C  CA  . GLY A 1 56 ? 54.74000 44.17900 21.14200 1.000 15.07812 ? 54  GLY A CA  1 
ATOM   397  C  C   . GLY A 1 56 ? 55.60300 45.42700 21.19400 1.000 18.67856 ? 54  GLY A C   1 
ATOM   398  O  O   . GLY A 1 56 ? 55.58500 46.27900 20.30100 1.000 20.11031 ? 54  GLY A O   1 
ATOM   399  N  N   . LYS A 1 57 ? 56.37400 45.53200 22.28000 1.000 13.54636 ? 55  LYS A N   1 
ATOM   400  C  CA  . LYS A 1 57 ? 57.28000 46.65700 22.45400 1.000 17.66528 ? 55  LYS A CA  1 
ATOM   401  C  C   . LYS A 1 57 ? 58.19200 46.40600 23.64000 1.000 20.16558 ? 55  LYS A C   1 
ATOM   402  O  O   . LYS A 1 57 ? 57.71200 46.17000 24.74700 1.000 15.73347 ? 55  LYS A O   1 
ATOM   403  C  CB  . LYS A 1 57 ? 56.53200 47.97100 22.68300 1.000 21.31835 ? 55  LYS A CB  1 
ATOM   404  C  CG  . LYS A 1 57 ? 57.47200 49.15100 22.88600 1.000 22.24477 ? 55  LYS A CG  1 
ATOM   405  C  CD  . LYS A 1 57 ? 56.72300 50.46600 22.98000 1.000 27.51119 ? 55  LYS A CD  1 
ATOM   406  C  CE  . LYS A 1 57 ? 57.69300 51.64200 22.94100 1.000 37.06760 ? 55  LYS A CE  1 
ATOM   407  N  NZ  . LYS A 1 57 ? 56.99700 52.96300 23.03800 1.000 37.93876 ? 55  LYS A NZ  1 
ATOM   408  N  N   . GLY A 1 58 ? 59.50000 46.47100 23.42700 1.000 20.16294 ? 56  GLY A N   1 
ATOM   409  C  CA  . GLY A 1 58 ? 60.40900 46.26400 24.55100 1.000 19.09966 ? 56  GLY A CA  1 
ATOM   410  C  C   . GLY A 1 58 ? 60.19900 44.88700 25.14700 1.000 17.44946 ? 56  GLY A C   1 
ATOM   411  O  O   . GLY A 1 58 ? 60.18900 43.86900 24.44900 1.000 17.09679 ? 56  GLY A O   1 
ATOM   412  N  N   . ALA A 1 59 ? 60.01100 44.85000 26.46400 1.000 15.29657 ? 57  ALA A N   1 
ATOM   413  C  CA  . ALA A 1 59 ? 59.75500 43.60000 27.15700 1.000 15.67556 ? 57  ALA A CA  1 
ATOM   414  C  C   . ALA A 1 59 ? 58.32500 43.09800 27.00400 1.000 13.88588 ? 57  ALA A C   1 
ATOM   415  O  O   . ALA A 1 59 ? 58.04200 41.98400 27.45300 1.000 14.40699 ? 57  ALA A O   1 
ATOM   416  C  CB  . ALA A 1 59 ? 60.06500 43.75400 28.65800 1.000 14.26750 ? 57  ALA A CB  1 
ATOM   417  N  N   . MET A 1 60 ? 57.42100 43.86200 26.39000 1.000 12.78311 ? 58  MET A N   1 
ATOM   418  C  CA  . MET A 1 60 ? 56.05900 43.36100 26.17200 1.000 12.46992 ? 58  MET A CA  1 
ATOM   419  C  C   . MET A 1 60 ? 55.99200 42.49900 24.91600 1.000 14.43068 ? 58  MET A C   1 
ATOM   420  O  O   . MET A 1 60 ? 56.35900 42.97000 23.83700 1.000 14.71229 ? 58  MET A O   1 
ATOM   421  C  CB  . MET A 1 60 ? 55.06800 44.50200 26.02900 1.000 11.02764 ? 58  MET A CB  1 
ATOM   422  C  CG  . MET A 1 60 ? 53.65200 43.98900 25.74700 1.000 13.94115 ? 58  MET A CG  1 
ATOM   423  S  SD  . MET A 1 60 ? 52.44900 45.29000 25.96700 1.000 11.16713 ? 58  MET A SD  1 
ATOM   424  C  CE  . MET A 1 60 ? 51.15800 44.75100 24.81900 1.000 11.58034 ? 58  MET A CE  1 
ATOM   425  N  N   . PRO A 1 61 ? 55.52200 41.26000 25.00600 1.000 12.74890 ? 59  PRO A N   1 
ATOM   426  C  CA  . PRO A 1 61 ? 55.40100 40.41600 23.80900 1.000 15.14918 ? 59  PRO A CA  1 
ATOM   427  C  C   . PRO A 1 61 ? 54.38400 40.94000 22.80900 1.000 15.67030 ? 59  PRO A C   1 
ATOM   428  O  O   . PRO A 1 61 ? 53.50300 41.75200 23.11100 1.000 14.67281 ? 59  PRO A O   1 
ATOM   429  C  CB  . PRO A 1 61 ? 54.96600 39.04800 24.35100 1.000 13.29107 ? 59  PRO A CB  1 
ATOM   430  C  CG  . PRO A 1 61 ? 54.77600 39.20400 25.83800 1.000 17.03889 ? 59  PRO A CG  1 
ATOM   431  C  CD  . PRO A 1 61 ? 55.15100 40.58000 26.25900 1.000 12.88839 ? 59  PRO A CD  1 
ATOM   432  N  N   . ALA A 1 62 ? 54.52900 40.43500 21.58400 1.000 13.22527 ? 60  ALA A N   1 
ATOM   433  C  CA  . ALA A 1 62 ? 53.57400 40.67700 20.51500 1.000 13.80955 ? 60  ALA A CA  1 
ATOM   434  C  C   . ALA A 1 62 ? 52.46900 39.62400 20.55000 1.000 15.68872 ? 60  ALA A C   1 
ATOM   435  O  O   . ALA A 1 62 ? 52.70300 38.46200 20.88500 1.000 17.69686 ? 60  ALA A O   1 
ATOM   436  C  CB  . ALA A 1 62 ? 54.28800 40.65100 19.16600 1.000 16.58883 ? 60  ALA A CB  1 
ATOM   437  N  N   . PHE A 1 63 ? 51.25100 40.04000 20.18900 1.000 13.90693 ? 61  PHE A N   1 
ATOM   438  C  CA  . PHE A 1 63 ? 50.11800 39.12600 20.12900 1.000 12.50150 ? 61  PHE A CA  1 
ATOM   439  C  C   . PHE A 1 63 ? 49.46900 39.07100 18.75100 1.000 15.44396 ? 61  PHE A C   1 
ATOM   440  O  O   . PHE A 1 63 ? 48.48400 38.35100 18.58500 1.000 19.28915 ? 61  PHE A O   1 
ATOM   441  C  CB  . PHE A 1 63 ? 49.05700 39.51300 21.17800 1.000 15.60187 ? 61  PHE A CB  1 
ATOM   442  C  CG  . PHE A 1 63 ? 49.55000 39.40200 22.59100 1.000 15.40448 ? 61  PHE A CG  1 
ATOM   443  C  CD1 . PHE A 1 63 ? 50.29900 40.42100 23.15400 1.000 12.51466 ? 61  PHE A CD1 1 
ATOM   444  C  CD2 . PHE A 1 63 ? 49.26500 38.27700 23.35400 1.000 15.52555 ? 61  PHE A CD2 1 
ATOM   445  C  CE1 . PHE A 1 63 ? 50.77100 40.31200 24.47400 1.000 12.48834 ? 61  PHE A CE1 1 
ATOM   446  C  CE2 . PHE A 1 63 ? 49.72200 38.15900 24.67300 1.000 16.28090 ? 61  PHE A CE2 1 
ATOM   447  C  CZ  . PHE A 1 63 ? 50.47200 39.17300 25.22400 1.000 14.86757 ? 61  PHE A CZ  1 
ATOM   448  N  N   . GLY A 1 64 ? 49.99700 39.80600 17.77100 1.000 15.23077 ? 62  GLY A N   1 
ATOM   449  C  CA  . GLY A 1 64 ? 49.36900 39.91600 16.45700 1.000 20.52615 ? 62  GLY A CA  1 
ATOM   450  C  C   . GLY A 1 64 ? 49.15700 38.60100 15.73700 1.000 21.57364 ? 62  GLY A C   1 
ATOM   451  O  O   . GLY A 1 64 ? 48.23600 38.49600 14.90700 1.000 21.00252 ? 62  GLY A O   1 
ATOM   452  N  N   . SER A 1 65 ? 49.98400 37.59600 16.01200 1.000 18.53117 ? 63  SER A N   1 
ATOM   453  C  CA  . SER A 1 65 ? 49.81700 36.30300 15.36400 1.000 24.07131 ? 63  SER A CA  1 
ATOM   454  C  C   . SER A 1 65 ? 49.06800 35.30700 16.23500 1.000 24.51083 ? 63  SER A C   1 
ATOM   455  O  O   . SER A 1 65 ? 48.71700 34.22500 15.75200 1.000 25.60570 ? 63  SER A O   1 
ATOM   456  C  CB  . SER A 1 65 ? 51.18600 35.72200 14.96300 1.000 24.77402 ? 63  SER A CB  1 
ATOM   457  O  OG  . SER A 1 65 ? 51.96500 35.44000 16.11900 1.000 30.46155 ? 63  SER A OG  1 
ATOM   458  N  N   . LYS A 1 66 ? 48.80100 35.65700 17.49700 1.000 22.87643 ? 64  LYS A N   1 
ATOM   459  C  CA  . LYS A 1 66 ? 48.18900 34.74700 18.45400 1.000 23.77917 ? 64  LYS A CA  1 
ATOM   460  C  C   . LYS A 1 66 ? 46.73600 35.07300 18.76700 1.000 24.64506 ? 64  LYS A C   1 
ATOM   461  O  O   . LYS A 1 66 ? 45.99900 34.17900 19.19400 1.000 27.99809 ? 64  LYS A O   1 
ATOM   462  C  CB  . LYS A 1 66 ? 48.99400 34.74200 19.76100 1.000 26.79005 ? 64  LYS A CB  1 
ATOM   463  C  CG  . LYS A 1 66 ? 50.30200 33.99900 19.62300 1.000 34.00671 ? 64  LYS A CG  1 
ATOM   464  C  CD  . LYS A 1 66 ? 51.32200 34.43600 20.65400 1.000 34.97261 ? 64  LYS A CD  1 
ATOM   465  C  CE  . LYS A 1 66 ? 52.63300 33.68900 20.44400 1.000 38.71780 ? 64  LYS A CE  1 
ATOM   466  N  NZ  . LYS A 1 66 ? 53.07000 33.78000 19.02200 1.000 44.18951 ? 64  LYS A NZ  1 
ATOM   467  N  N   . LEU A 1 67 ? 46.30900 36.31200 18.55600 1.000 19.83133 ? 65  LEU A N   1 
ATOM   468  C  CA  . LEU A 1 67 ? 44.95500 36.74900 18.85000 1.000 16.70990 ? 65  LEU A CA  1 
ATOM   469  C  C   . LEU A 1 67 ? 44.24700 37.17100 17.56500 1.000 18.43905 ? 65  LEU A C   1 
ATOM   470  O  O   . LEU A 1 67 ? 44.86500 37.70700 16.64400 1.000 19.46812 ? 65  LEU A O   1 
ATOM   471  C  CB  . LEU A 1 67 ? 44.96600 37.91700 19.83900 1.000 17.31260 ? 65  LEU A CB  1 
ATOM   472  C  CG  . LEU A 1 67 ? 45.53700 37.60500 21.22800 1.000 17.48368 ? 65  LEU A CG  1 
ATOM   473  C  CD1 . LEU A 1 67 ? 45.47000 38.83200 22.10900 1.000 14.12538 ? 65  LEU A CD1 1 
ATOM   474  C  CD2 . LEU A 1 67 ? 44.78500 36.47100 21.87400 1.000 19.63656 ? 65  LEU A CD2 1 
ATOM   475  N  N   . SER A 1 68 ? 42.93500 36.96500 17.53100 1.000 19.29705 ? 66  SER A N   1 
ATOM   476  C  CA  . SER A 1 68 ? 42.16500 37.43600 16.38800 1.000 18.36799 ? 66  SER A CA  1 
ATOM   477  C  C   . SER A 1 68 ? 42.05000 38.95800 16.41600 1.000 19.46286 ? 66  SER A C   1 
ATOM   478  O  O   . SER A 1 68 ? 42.25900 39.60800 17.44500 1.000 20.44456 ? 66  SER A O   1 
ATOM   479  C  CB  . SER A 1 68 ? 40.76500 36.81300 16.38200 1.000 19.77079 ? 66  SER A CB  1 
ATOM   480  O  OG  . SER A 1 68 ? 39.97900 37.29100 17.47200 1.000 22.02369 ? 66  SER A OG  1 
ATOM   481  N  N   . ALA A 1 69 ? 41.69900 39.53000 15.25900 1.000 19.35232 ? 67  ALA A N   1 
ATOM   482  C  CA  . ALA A 1 69 ? 41.46200 40.96800 15.21000 1.000 15.73083 ? 67  ALA A CA  1 
ATOM   483  C  C   . ALA A 1 69 ? 40.39100 41.37400 16.22200 1.000 18.01269 ? 67  ALA A C   1 
ATOM   484  O  O   . ALA A 1 69 ? 40.55600 42.36400 16.94600 1.000 16.69147 ? 67  ALA A O   1 
ATOM   485  C  CB  . ALA A 1 69 ? 41.07000 41.39300 13.79200 1.000 18.83121 ? 67  ALA A CB  1 
ATOM   486  N  N   . ASP A 1 70 ? 39.30700 40.59200 16.31600 1.000 16.93887 ? 68  ASP A N   1 
ATOM   487  C  CA  . ASP A 1 70 ? 38.25900 40.89600 17.29300 1.000 18.81015 ? 68  ASP A CA  1 
ATOM   488  C  C   . ASP A 1 70 ? 38.77400 40.77800 18.73000 1.000 17.78371 ? 68  ASP A C   1 
ATOM   489  O  O   . ASP A 1 70 ? 38.42400 41.60500 19.58600 1.000 17.61790 ? 68  ASP A O   1 
ATOM   490  C  CB  . ASP A 1 70 ? 37.04900 39.97800 17.09400 1.000 19.67078 ? 68  ASP A CB  1 
ATOM   491  C  CG  . ASP A 1 70 ? 36.25500 40.28600 15.80900 1.000 22.10528 ? 68  ASP A CG  1 
ATOM   492  O  OD1 . ASP A 1 70 ? 36.54800 41.27800 15.10400 1.000 20.59457 ? 68  ASP A OD1 1 
ATOM   493  O  OD2 . ASP A 1 70 ? 35.30000 39.53100 15.53100 1.000 24.86088 ? 68  ASP A OD2 1 
ATOM   494  N  N   . ASP A 1 71 ? 39.57500 39.74200 19.02800 1.000 17.37577 ? 69  ASP A N   1 
ATOM   495  C  CA  . ASP A 1 71 ? 40.17300 39.62700 20.36500 1.000 18.04953 ? 69  ASP A CA  1 
ATOM   496  C  C   . ASP A 1 71 ? 40.93300 40.88800 20.73800 1.000 16.97572 ? 69  ASP A C   1 
ATOM   497  O  O   . ASP A 1 71 ? 40.87900 41.34700 21.88700 1.000 14.87020 ? 69  ASP A O   1 
ATOM   498  C  CB  . ASP A 1 71 ? 41.16100 38.45300 20.44600 1.000 18.85489 ? 69  ASP A CB  1 
ATOM   499  C  CG  . ASP A 1 71 ? 40.49600 37.09600 20.45300 1.000 24.87403 ? 69  ASP A CG  1 
ATOM   500  O  OD1 . ASP A 1 71 ? 39.28800 37.01800 20.73900 1.000 25.12143 ? 69  ASP A OD1 1 
ATOM   501  O  OD2 . ASP A 1 71 ? 41.21400 36.10100 20.17100 1.000 29.09559 ? 69  ASP A OD2 1 
ATOM   502  N  N   . ILE A 1 72 ? 41.71400 41.42000 19.79600 1.000 15.95191 ? 70  ILE A N   1 
ATOM   503  C  CA  . ILE A 1 72 ? 42.55800 42.56600 20.11400 1.000 14.57543 ? 70  ILE A CA  1 
ATOM   504  C  C   . ILE A 1 72 ? 41.71400 43.82600 20.25100 1.000 15.85190 ? 70  ILE A C   1 
ATOM   505  O  O   . ILE A 1 72 ? 41.94000 44.64300 21.14800 1.000 16.40986 ? 70  ILE A O   1 
ATOM   506  C  CB  . ILE A 1 72 ? 43.66200 42.72100 19.05200 1.000 17.49683 ? 70  ILE A CB  1 
ATOM   507  C  CG1 . ILE A 1 72 ? 44.61700 41.52900 19.13000 1.000 17.29944 ? 70  ILE A CG1 1 
ATOM   508  C  CG2 . ILE A 1 72 ? 44.42600 44.02800 19.27100 1.000 16.26511 ? 70  ILE A CG2 1 
ATOM   509  C  CD1 . ILE A 1 72 ? 45.68000 41.51400 18.04300 1.000 18.55222 ? 70  ILE A CD1 1 
ATOM   510  N  N   . ALA A 1 73 ? 40.71800 43.99700 19.38000 1.000 14.61228 ? 71  ALA A N   1 
ATOM   511  C  CA  . ALA A 1 73 ? 39.82400 45.14000 19.51400 1.000 14.34909 ? 71  ALA A CA  1 
ATOM   512  C  C   . ALA A 1 73 ? 39.11800 45.10900 20.85800 1.000 16.92308 ? 71  ALA A C   1 
ATOM   513  O  O   . ALA A 1 73 ? 38.98200 46.14200 21.51900 1.000 18.13639 ? 71  ALA A O   1 
ATOM   514  C  CB  . ALA A 1 73 ? 38.79200 45.16000 18.38400 1.000 18.76014 ? 71  ALA A CB  1 
ATOM   515  N  N   . ASP A 1 74 ? 38.63600 43.92800 21.26100 1.000 15.88875 ? 72  ASP A N   1 
ATOM   516  C  CA  . ASP A 1 74 ? 37.92200 43.80100 22.52800 1.000 18.27588 ? 72  ASP A CA  1 
ATOM   517  C  C   . ASP A 1 74 ? 38.84100 44.05000 23.72300 1.000 14.35172 ? 72  ASP A C   1 
ATOM   518  O  O   . ASP A 1 74 ? 38.42500 44.69200 24.69400 1.000 15.19130 ? 72  ASP A O   1 
ATOM   519  C  CB  . ASP A 1 74 ? 37.27900 42.41900 22.64400 1.000 17.03099 ? 72  ASP A CB  1 
ATOM   520  C  CG  . ASP A 1 74 ? 36.15400 42.20100 21.63800 1.000 27.12957 ? 72  ASP A CG  1 
ATOM   521  O  OD1 . ASP A 1 74 ? 35.71600 43.17800 20.98300 1.000 24.07131 ? 72  ASP A OD1 1 
ATOM   522  O  OD2 . ASP A 1 74 ? 35.71000 41.04200 21.51300 1.000 27.89019 ? 72  ASP A OD2 1 
ATOM   523  N  N   . VAL A 1 75 ? 40.06800 43.50800 23.71200 1.000 13.71217 ? 73  VAL A N   1 
ATOM   524  C  CA  . VAL A 1 75 ? 40.93400 43.73300 24.87100 1.000 13.24633 ? 73  VAL A CA  1 
ATOM   525  C  C   . VAL A 1 75 ? 41.35800 45.19500 24.94700 1.000 14.59122 ? 73  VAL A C   1 
ATOM   526  O  O   . VAL A 1 75 ? 41.48500 45.75500 26.04400 1.000 14.64912 ? 73  VAL A O   1 
ATOM   527  C  CB  . VAL A 1 75 ? 42.15300 42.78300 24.87500 1.000 12.26989 ? 73  VAL A CB  1 
ATOM   528  C  CG1 . VAL A 1 75 ? 43.24300 43.23300 23.90300 1.000 13.99641 ? 73  VAL A CG1 1 
ATOM   529  C  CG2 . VAL A 1 75 ? 42.74000 42.65000 26.30200 1.000 13.81218 ? 73  VAL A CG2 1 
ATOM   530  N  N   . ALA A 1 76 ? 41.54400 45.85400 23.80000 1.000 14.86231 ? 74  ALA A N   1 
ATOM   531  C  CA  . ALA A 1 76 ? 41.83400 47.28400 23.82200 1.000 14.45963 ? 74  ALA A CA  1 
ATOM   532  C  C   . ALA A 1 76 ? 40.67000 48.06000 24.42500 1.000 14.63597 ? 74  ALA A C   1 
ATOM   533  O  O   . ALA A 1 76 ? 40.87400 48.97800 25.22200 1.000 18.81015 ? 74  ALA A O   1 
ATOM   534  C  CB  . ALA A 1 76 ? 42.14000 47.77800 22.40500 1.000 12.93313 ? 74  ALA A CB  1 
ATOM   535  N  N   . SER A 1 77 ? 39.43800 47.69800 24.06000 1.000 14.98601 ? 75  SER A N   1 
ATOM   536  C  CA  . SER A 1 77 ? 38.27400 48.37300 24.62900 1.000 13.96220 ? 75  SER A CA  1 
ATOM   537  C  C   . SER A 1 77 ? 38.18900 48.14200 26.13000 1.000 17.31523 ? 75  SER A C   1 
ATOM   538  O  O   . SER A 1 77 ? 37.85700 49.05700 26.89400 1.000 16.49935 ? 75  SER A O   1 
ATOM   539  C  CB  . SER A 1 77 ? 36.99700 47.88100 23.94700 1.000 15.17024 ? 75  SER A CB  1 
ATOM   540  O  OG  . SER A 1 77 ? 37.03900 48.17200 22.55200 1.000 23.02908 ? 75  SER A OG  1 
ATOM   541  N  N   . TYR A 1 78 ? 38.48600 46.92000 26.56900 1.000 15.14392 ? 76  TYR A N   1 
ATOM   542  C  CA  . TYR A 1 78 ? 38.42300 46.61100 27.99400 1.000 14.91758 ? 76  TYR A CA  1 
ATOM   543  C  C   . TYR A 1 78 ? 39.45200 47.42200 28.77800 1.000 14.39646 ? 76  TYR A C   1 
ATOM   544  O  O   . TYR A 1 78 ? 39.14100 47.97800 29.84000 1.000 14.85968 ? 76  TYR A O   1 
ATOM   545  C  CB  . TYR A 1 78 ? 38.63300 45.10800 28.19100 1.000 14.69387 ? 76  TYR A CB  1 
ATOM   546  C  CG  . TYR A 1 78 ? 38.70200 44.68400 29.63300 1.000 14.16222 ? 76  TYR A CG  1 
ATOM   547  C  CD1 . TYR A 1 78 ? 37.54400 44.53100 30.37800 1.000 18.62592 ? 76  TYR A CD1 1 
ATOM   548  C  CD2 . TYR A 1 78 ? 39.91600 44.41500 30.23600 1.000 14.98601 ? 76  TYR A CD2 1 
ATOM   549  C  CE1 . TYR A 1 78 ? 37.60300 44.13800 31.70700 1.000 17.79687 ? 76  TYR A CE1 1 
ATOM   550  C  CE2 . TYR A 1 78 ? 39.98600 44.02200 31.57500 1.000 16.76517 ? 76  TYR A CE2 1 
ATOM   551  C  CZ  . TYR A 1 78 ? 38.82800 43.87700 32.28900 1.000 17.84951 ? 76  TYR A CZ  1 
ATOM   552  O  OH  . TYR A 1 78 ? 38.89100 43.48900 33.61800 1.000 20.46035 ? 76  TYR A OH  1 
ATOM   553  N  N   . VAL A 1 79 ? 40.67700 47.51700 28.26200 1.000 15.10971 ? 77  VAL A N   1 
ATOM   554  C  CA  . VAL A 1 79 ? 41.72200 48.27700 28.95100 1.000 14.65965 ? 77  VAL A CA  1 
ATOM   555  C  C   . VAL A 1 79 ? 41.32300 49.74100 29.07600 1.000 14.75966 ? 77  VAL A C   1 
ATOM   556  O  O   . VAL A 1 79 ? 41.45000 50.34900 30.14700 1.000 16.15194 ? 77  VAL A O   1 
ATOM   557  C  CB  . VAL A 1 79 ? 43.06400 48.13300 28.21400 1.000 15.41237 ? 77  VAL A CB  1 
ATOM   558  C  CG1 . VAL A 1 79 ? 44.07400 49.17800 28.71400 1.000 13.13315 ? 77  VAL A CG1 1 
ATOM   559  C  CG2 . VAL A 1 79 ? 43.60500 46.71800 28.38700 1.000 14.73071 ? 77  VAL A CG2 1 
ATOM   560  N  N   . LEU A 1 80 ? 40.86800 50.33900 27.97300 1.000 16.91255 ? 78  LEU A N   1 
ATOM   561  C  CA  . LEU A 1 80 ? 40.53600 51.75900 28.00200 1.000 16.84939 ? 78  LEU A CA  1 
ATOM   562  C  C   . LEU A 1 80 ? 39.37400 52.00900 28.94600 1.000 20.04977 ? 78  LEU A C   1 
ATOM   563  O  O   . LEU A 1 80 ? 39.39000 52.97900 29.71600 1.000 20.02082 ? 78  LEU A O   1 
ATOM   564  C  CB  . LEU A 1 80 ? 40.21400 52.25900 26.58800 1.000 20.65774 ? 78  LEU A CB  1 
ATOM   565  C  CG  . LEU A 1 80 ? 40.29900 53.76000 26.29000 1.000 24.38450 ? 78  LEU A CG  1 
ATOM   566  C  CD1 . LEU A 1 80 ? 41.70100 54.28200 26.57800 1.000 24.11868 ? 78  LEU A CD1 1 
ATOM   567  C  CD2 . LEU A 1 80 ? 39.91400 54.03200 24.82400 1.000 24.78718 ? 78  LEU A CD2 1 
ATOM   568  N  N   . ASP A 1 81 ? 38.39200 51.09900 28.94900 1.000 17.88636 ? 79  ASP A N   1 
ATOM   569  C  CA  . ASP A 1 81 ? 37.24300 51.22300 29.84000 1.000 21.17886 ? 79  ASP A CA  1 
ATOM   570  C  C   . ASP A 1 81 ? 37.66100 51.09000 31.29900 1.000 19.94976 ? 79  ASP A C   1 
ATOM   571  O  O   . ASP A 1 81 ? 37.25000 51.89200 32.14300 1.000 20.63405 ? 79  ASP A O   1 
ATOM   572  C  CB  . ASP A 1 81 ? 36.18900 50.17400 29.49500 1.000 18.35483 ? 79  ASP A CB  1 
ATOM   573  C  CG  . ASP A 1 81 ? 34.92800 50.31000 30.34000 1.000 26.96902 ? 79  ASP A CG  1 
ATOM   574  O  OD1 . ASP A 1 81 ? 34.21700 51.32600 30.18400 1.000 26.41106 ? 79  ASP A OD1 1 
ATOM   575  O  OD2 . ASP A 1 81 ? 34.65500 49.40400 31.15500 1.000 24.90825 ? 79  ASP A OD2 1 
ATOM   576  N  N   . GLN A 1 82 ? 38.46900 50.07000 31.62000 1.000 15.40185 ? 80  GLN A N   1 
ATOM   577  C  CA  . GLN A 1 82 ? 38.93500 49.91800 32.99500 1.000 17.76792 ? 80  GLN A CA  1 
ATOM   578  C  C   . GLN A 1 82 ? 39.79100 51.10500 33.41000 1.000 18.52064 ? 80  GLN A C   1 
ATOM   579  O  O   . GLN A 1 82 ? 39.71000 51.56800 34.55200 1.000 19.62867 ? 80  GLN A O   1 
ATOM   580  C  CB  . GLN A 1 82 ? 39.72200 48.61800 33.16100 1.000 16.20194 ? 80  GLN A CB  1 
ATOM   581  C  CG  . GLN A 1 82 ? 38.89700 47.34100 33.16300 1.000 18.09164 ? 80  GLN A CG  1 
ATOM   582  C  CD  . GLN A 1 82 ? 37.86300 47.31600 34.27300 1.000 26.02944 ? 80  GLN A CD  1 
ATOM   583  O  OE1 . GLN A 1 82 ? 38.20600 47.42000 35.45000 1.000 24.21869 ? 80  GLN A OE1 1 
ATOM   584  N  NE2 . GLN A 1 82 ? 36.59100 47.19700 33.90300 1.000 30.05360 ? 80  GLN A NE2 1 
ATOM   585  N  N   . SER A 1 83 ? 40.61300 51.61700 32.49400 1.000 17.35734 ? 81  SER A N   1 
ATOM   586  C  CA  . SER A 1 83 ? 41.47800 52.73800 32.84000 1.000 16.96519 ? 81  SER A CA  1 
ATOM   587  C  C   . SER A 1 83 ? 40.64600 53.97000 33.16800 1.000 21.72629 ? 81  SER A C   1 
ATOM   588  O  O   . SER A 1 83 ? 40.89300 54.65400 34.16900 1.000 22.19477 ? 81  SER A O   1 
ATOM   589  C  CB  . SER A 1 83 ? 42.45000 53.01200 31.69200 1.000 18.98386 ? 81  SER A CB  1 
ATOM   590  O  OG  . SER A 1 83 ? 43.44600 53.93600 32.07800 1.000 23.88444 ? 81  SER A OG  1 
ATOM   591  N  N   . GLU A 1 84 ? 39.61900 54.24100 32.36100 1.000 20.92093 ? 82  GLU A N   1 
ATOM   592  C  CA  . GLU A 1 84 ? 38.73300 55.36700 32.65900 1.000 21.98685 ? 82  GLU A CA  1 
ATOM   593  C  C   . GLU A 1 84 ? 37.99800 55.17500 33.98400 1.000 24.56874 ? 82  GLU A C   1 
ATOM   594  O  O   . GLU A 1 84 ? 37.65800 56.16000 34.65200 1.000 30.67736 ? 82  GLU A O   1 
ATOM   595  C  CB  . GLU A 1 84 ? 37.74900 55.57600 31.50600 1.000 24.73718 ? 82  GLU A CB  1 
ATOM   596  C  CG  . GLU A 1 84 ? 38.43400 56.13400 30.24100 1.000 28.05863 ? 82  GLU A CG  1 
ATOM   597  C  CD  . GLU A 1 84 ? 37.58300 56.04000 28.97200 1.000 37.29131 ? 82  GLU A CD  1 
ATOM   598  O  OE1 . GLU A 1 84 ? 36.39000 55.67300 29.06400 1.000 42.30244 ? 82  GLU A OE1 1 
ATOM   599  O  OE2 . GLU A 1 84 ? 38.11400 56.33000 27.87400 1.000 39.33630 ? 82  GLU A OE2 1 
ATOM   600  N  N   . LYS A 1 85 ? 37.76100 53.93000 34.39400 1.000 20.87619 ? 83  LYS A N   1 
ATOM   601  C  CA  . LYS A 1 85 ? 37.10900 53.63100 35.66700 1.000 25.37409 ? 83  LYS A CA  1 
ATOM   602  C  C   . LYS A 1 85 ? 38.08800 53.49900 36.83100 1.000 25.19776 ? 83  LYS A C   1 
ATOM   603  O  O   . LYS A 1 85 ? 37.67100 53.13200 37.93300 1.000 24.45030 ? 83  LYS A O   1 
ATOM   604  C  CB  . LYS A 1 85 ? 36.29200 52.34300 35.56000 1.000 25.34514 ? 83  LYS A CB  1 
ATOM   605  C  CG  . LYS A 1 85 ? 35.07800 52.42600 34.65000 1.000 27.71648 ? 83  LYS A CG  1 
ATOM   606  C  CD  . LYS A 1 85 ? 34.41100 51.05700 34.54400 1.000 32.41178 ? 83  LYS A CD  1 
ATOM   607  C  CE  . LYS A 1 85 ? 33.20800 51.08300 33.60600 1.000 37.58345 ? 83  LYS A CE  1 
ATOM   608  N  NZ  . LYS A 1 85 ? 32.77600 49.69800 33.20700 1.000 37.97824 ? 83  LYS A NZ  1 
ATOM   609  N  N   . GLY A 1 86 ? 39.37300 53.76300 36.61400 1.000 22.48954 ? 84  GLY A N   1 
ATOM   610  C  CA  . GLY A 1 86 ? 40.31500 53.67100 37.71200 1.000 19.27863 ? 84  GLY A CA  1 
ATOM   611  C  C   . GLY A 1 86 ? 40.63400 52.27000 38.17100 1.000 21.31571 ? 84  GLY A C   1 
ATOM   612  O  O   . GLY A 1 86 ? 41.12300 52.09600 39.29100 1.000 21.46573 ? 84  GLY A O   1 
ATOM   613  N  N   . TRP A 1 87 ? 40.38200 51.26200 37.33200 1.000 19.32863 ? 85  TRP A N   1 
ATOM   614  C  CA  . TRP A 1 87 ? 40.65100 49.86600 37.66400 1.000 16.74148 ? 85  TRP A CA  1 
ATOM   615  C  C   . TRP A 1 87 ? 40.04200 49.50800 39.01500 1.000 24.44240 ? 85  TRP A C   1 
ATOM   616  O  O   . TRP A 1 87 ? 40.65200 48.83200 39.84500 1.000 21.81841 ? 85  TRP A O   1 
ATOM   617  C  CB  . TRP A 1 87 ? 42.15300 49.56600 37.62000 1.000 17.67054 ? 85  TRP A CB  1 
ATOM   618  C  CG  . TRP A 1 87 ? 42.67600 49.58400 36.20300 1.000 17.22312 ? 85  TRP A CG  1 
ATOM   619  C  CD1 . TRP A 1 87 ? 43.25800 50.64100 35.54500 1.000 15.48870 ? 85  TRP A CD1 1 
ATOM   620  C  CD2 . TRP A 1 87 ? 42.64500 48.49500 35.26400 1.000 15.29131 ? 85  TRP A CD2 1 
ATOM   621  N  NE1 . TRP A 1 87 ? 43.58700 50.26600 34.25500 1.000 15.08865 ? 85  TRP A NE1 1 
ATOM   622  C  CE2 . TRP A 1 87 ? 43.22800 48.95400 34.06800 1.000 12.84891 ? 85  TRP A CE2 1 
ATOM   623  C  CE3 . TRP A 1 87 ? 42.18900 47.17100 35.33000 1.000 16.29406 ? 85  TRP A CE3 1 
ATOM   624  C  CZ2 . TRP A 1 87 ? 43.36500 48.13600 32.94100 1.000 15.97034 ? 85  TRP A CZ2 1 
ATOM   625  C  CZ3 . TRP A 1 87 ? 42.33000 46.35800 34.22000 1.000 14.30435 ? 85  TRP A CZ3 1 
ATOM   626  C  CH2 . TRP A 1 87 ? 42.90600 46.84800 33.03700 1.000 14.85968 ? 85  TRP A CH2 1 
ATOM   627  N  N   . GLN A 1 88 ? 38.81900 49.98100 39.23000 1.000 21.14990 ? 86  GLN A N   1 
ATOM   628  C  CA  . GLN A 1 88 ? 38.15800 49.75300 40.50600 1.000 29.56144 ? 86  GLN A CA  1 
ATOM   629  C  C   . GLN A 1 88 ? 37.72100 48.30000 40.61100 1.000 35.69112 ? 86  GLN A C   1 
ATOM   630  O  O   . GLN A 1 88 ? 37.04200 47.78100 39.71800 1.000 39.59948 ? 86  GLN A O   1 
ATOM   631  C  CB  . GLN A 1 88 ? 36.95600 50.68200 40.65700 1.000 29.38510 ? 86  GLN A CB  1 
ATOM   632  C  CG  . GLN A 1 88 ? 37.32700 52.13200 40.92100 1.000 26.49265 ? 86  GLN A CG  1 
ATOM   633  C  CD  . GLN A 1 88 ? 36.10600 53.01000 41.08700 1.000 29.21929 ? 86  GLN A CD  1 
ATOM   634  O  OE1 . GLN A 1 88 ? 35.44600 52.98200 42.13000 1.000 28.50342 ? 86  GLN A OE1 1 
ATOM   635  N  NE2 . GLN A 1 88 ? 35.77900 53.78300 40.04600 1.000 24.74244 ? 86  GLN A NE2 1 
ATOM   636  N  N   . GLY A 1 89 ? 38.14300 47.64700 41.69200 1.000 42.07610 ? 87  GLY A N   1 
ATOM   637  C  CA  . GLY A 1 89 ? 37.66100 46.33600 42.09800 1.000 43.46311 ? 87  GLY A CA  1 
ATOM   638  C  C   . GLY A 1 89 ? 37.38100 45.29200 41.03300 1.000 49.48225 ? 87  GLY A C   1 
ATOM   639  O  O   . GLY A 1 89 ? 36.53500 44.41400 41.25000 1.000 53.37219 ? 87  GLY A O   1 
ATOM   640  O  OXT . GLY A 1 89 ? 37.97500 45.29800 39.94800 1.000 42.31297 ? 87  GLY A OXT 1 
ATOM   641  N  N   . GLY B 1 1  ? 79.04600 46.25700 56.74400 1.000 45.48966 ? -1  GLY B N   1 
ATOM   642  C  CA  . GLY B 1 1  ? 80.06500 46.14400 55.71400 1.000 40.39432 ? -1  GLY B CA  1 
ATOM   643  C  C   . GLY B 1 1  ? 79.70700 45.17300 54.60400 1.000 40.22324 ? -1  GLY B C   1 
ATOM   644  O  O   . GLY B 1 1  ? 78.53600 44.83100 54.41400 1.000 33.47243 ? -1  GLY B O   1 
ATOM   645  N  N   . SER B 1 2  ? 80.72400 44.71900 53.86800 1.000 40.27062 ? 0   SER B N   1 
ATOM   646  C  CA  . SER B 1 2  ? 80.47200 43.84100 52.72800 1.000 38.60200 ? 0   SER B CA  1 
ATOM   647  C  C   . SER B 1 2  ? 79.86500 42.51300 53.17000 1.000 33.19345 ? 0   SER B C   1 
ATOM   648  O  O   . SER B 1 2  ? 79.02300 41.94500 52.46500 1.000 32.28282 ? 0   SER B O   1 
ATOM   649  C  CB  . SER B 1 2  ? 81.76500 43.61000 51.94500 1.000 41.94187 ? 0   SER B CB  1 
ATOM   650  O  OG  . SER B 1 2  ? 81.54000 42.75800 50.83700 1.000 47.18724 ? 0   SER B OG  1 
ATOM   651  N  N   . ALA B 1 3  ? 80.28000 42.00100 54.33200 1.000 29.20350 ? 1   ALA B N   1 
ATOM   652  C  CA  . ALA B 1 3  ? 79.70500 40.75600 54.83200 1.000 28.77187 ? 1   ALA B CA  1 
ATOM   653  C  C   . ALA B 1 3  ? 78.20400 40.90700 55.06900 1.000 28.77977 ? 1   ALA B C   1 
ATOM   654  O  O   . ALA B 1 3  ? 77.39800 40.14100 54.52600 1.000 28.29023 ? 1   ALA B O   1 
ATOM   655  C  CB  . ALA B 1 3  ? 80.41400 40.32400 56.11700 1.000 31.35639 ? 1   ALA B CB  1 
ATOM   656  N  N   . ASP B 1 4  ? 77.81400 41.91100 55.86300 1.000 28.02178 ? 2   ASP B N   1 
ATOM   657  C  CA  . ASP B 1 4  ? 76.40100 42.09600 56.19300 1.000 26.61898 ? 2   ASP B CA  1 
ATOM   658  C  C   . ASP B 1 4  ? 75.56200 42.37300 54.94800 1.000 27.23484 ? 2   ASP B C   1 
ATOM   659  O  O   . ASP B 1 4  ? 74.41800 41.91200 54.85200 1.000 19.66815 ? 2   ASP B O   1 
ATOM   660  C  CB  . ASP B 1 4  ? 76.23200 43.23200 57.20400 1.000 26.96376 ? 2   ASP B CB  1 
ATOM   661  C  CG  . ASP B 1 4  ? 76.83400 42.90900 58.56600 1.000 36.55701 ? 2   ASP B CG  1 
ATOM   662  O  OD1 . ASP B 1 4  ? 77.05600 41.71500 58.86600 1.000 36.96496 ? 2   ASP B OD1 1 
ATOM   663  O  OD2 . ASP B 1 4  ? 77.07800 43.85500 59.34300 1.000 40.26535 ? 2   ASP B OD2 1 
ATOM   664  N  N   . LEU B 1 5  ? 76.09600 43.13900 53.99100 1.000 24.38977 ? 3   LEU B N   1 
ATOM   665  C  CA  . LEU B 1 5  ? 75.29900 43.45700 52.80600 1.000 25.63465 ? 3   LEU B CA  1 
ATOM   666  C  C   . LEU B 1 5  ? 75.15300 42.24500 51.89700 1.000 24.79771 ? 3   LEU B C   1 
ATOM   667  O  O   . LEU B 1 5  ? 74.09400 42.04300 51.29400 1.000 23.98972 ? 3   LEU B O   1 
ATOM   668  C  CB  . LEU B 1 5  ? 75.91700 44.62600 52.03400 1.000 26.94007 ? 3   LEU B CB  1 
ATOM   669  C  CG  . LEU B 1 5  ? 75.76100 46.01300 52.66200 1.000 25.49516 ? 3   LEU B CG  1 
ATOM   670  C  CD1 . LEU B 1 5  ? 76.47500 47.05500 51.81300 1.000 33.48823 ? 3   LEU B CD1 1 
ATOM   671  C  CD2 . LEU B 1 5  ? 74.29200 46.37400 52.82200 1.000 26.67162 ? 3   LEU B CD2 1 
ATOM   672  N  N   . ALA B 1 6  ? 76.21200 41.44000 51.77100 1.000 24.83192 ? 4   ALA B N   1 
ATOM   673  C  CA  . ALA B 1 6  ? 76.11700 40.21400 50.98800 1.000 28.11127 ? 4   ALA B CA  1 
ATOM   674  C  C   . ALA B 1 6  ? 75.05000 39.29200 51.55600 1.000 22.40795 ? 4   ALA B C   1 
ATOM   675  O  O   . ALA B 1 6  ? 74.19700 38.77800 50.82000 1.000 22.06580 ? 4   ALA B O   1 
ATOM   676  C  CB  . ALA B 1 6  ? 77.46600 39.50000 50.94700 1.000 30.46681 ? 4   ALA B CB  1 
ATOM   677  N  N   . HIS B 1 7  ? 75.08200 39.07000 52.87000 1.000 23.02118 ? 5   HIS B N   1 
ATOM   678  C  CA  . HIS B 1 7  ? 74.05500 38.24100 53.48400 1.000 22.99749 ? 5   HIS B CA  1 
ATOM   679  C  C   . HIS B 1 7  ? 72.67700 38.87600 53.33400 1.000 19.30495 ? 5   HIS B C   1 
ATOM   680  O  O   . HIS B 1 7  ? 71.69900 38.17700 53.05400 1.000 18.17323 ? 5   HIS B O   1 
ATOM   681  C  CB  . HIS B 1 7  ? 74.37000 37.99400 54.95500 1.000 22.30267 ? 5   HIS B CB  1 
ATOM   682  C  CG  . HIS B 1 7  ? 73.36500 37.11600 55.63100 1.000 23.39754 ? 5   HIS B CG  1 
ATOM   683  N  ND1 . HIS B 1 7  ? 73.00500 35.88100 55.13300 1.000 29.60092 ? 5   HIS B ND1 1 
ATOM   684  C  CD2 . HIS B 1 7  ? 72.62100 37.30600 56.74400 1.000 21.04726 ? 5   HIS B CD2 1 
ATOM   685  C  CE1 . HIS B 1 7  ? 72.09600 35.33900 55.92400 1.000 27.91387 ? 5   HIS B CE1 1 
ATOM   686  N  NE2 . HIS B 1 7  ? 71.84400 36.18400 56.90700 1.000 24.84508 ? 5   HIS B NE2 1 
ATOM   687  N  N   . GLY B 1 8  ? 72.58500 40.20000 53.50700 1.000 20.89724 ? 6   GLY B N   1 
ATOM   688  C  CA  . GLY B 1 8  ? 71.30300 40.87500 53.34000 1.000 15.75978 ? 6   GLY B CA  1 
ATOM   689  C  C   . GLY B 1 8  ? 70.72300 40.69500 51.94900 1.000 16.41776 ? 6   GLY B C   1 
ATOM   690  O  O   . GLY B 1 8  ? 69.51100 40.53900 51.78000 1.000 14.95179 ? 6   GLY B O   1 
ATOM   691  N  N   . GLY B 1 9  ? 71.57900 40.70500 50.92800 1.000 16.24142 ? 7   GLY B N   1 
ATOM   692  C  CA  . GLY B 1 9  ? 71.09300 40.46400 49.58200 1.000 16.27037 ? 7   GLY B CA  1 
ATOM   693  C  C   . GLY B 1 9  ? 70.58800 39.05200 49.38200 1.000 18.65487 ? 7   GLY B C   1 
ATOM   694  O  O   . GLY B 1 9  ? 69.66100 38.83000 48.60000 1.000 19.86291 ? 7   GLY B O   1 
ATOM   695  N  N   . GLN B 1 10 ? 71.18900 38.07900 50.07300 1.000 15.55976 ? 8   GLN B N   1 
ATOM   696  C  CA  . GLN B 1 10 ? 70.70100 36.70300 49.99900 1.000 23.30016 ? 8   GLN B CA  1 
ATOM   697  C  C   . GLN B 1 10 ? 69.38300 36.54200 50.75000 1.000 19.66288 ? 8   GLN B C   1 
ATOM   698  O  O   . GLN B 1 10 ? 68.48100 35.83800 50.28600 1.000 20.74722 ? 8   GLN B O   1 
ATOM   699  C  CB  . GLN B 1 10 ? 71.75000 35.73300 50.55300 1.000 24.58189 ? 8   GLN B CB  1 
ATOM   700  C  CG  . GLN B 1 10 ? 73.01300 35.63000 49.70100 1.000 31.45904 ? 8   GLN B CG  1 
ATOM   701  C  CD  . GLN B 1 10 ? 72.77000 34.96700 48.35100 1.000 41.79448 ? 8   GLN B CD  1 
ATOM   702  O  OE1 . GLN B 1 10 ? 72.60200 33.74800 48.26500 1.000 49.19274 ? 8   GLN B OE1 1 
ATOM   703  N  NE2 . GLN B 1 10 ? 72.75900 35.76800 47.28800 1.000 44.62114 ? 8   GLN B NE2 1 
ATOM   704  N  N   . VAL B 1 11 ? 69.26000 37.16200 51.92600 1.000 18.03374 ? 9   VAL B N   1 
ATOM   705  C  CA  . VAL B 1 11 ? 67.96400 37.19900 52.60300 1.000 17.37577 ? 9   VAL B CA  1 
ATOM   706  C  C   . VAL B 1 11 ? 66.92000 37.85000 51.70200 1.000 14.83336 ? 9   VAL B C   1 
ATOM   707  O  O   . VAL B 1 11 ? 65.77800 37.37600 51.58600 1.000 14.65702 ? 9   VAL B O   1 
ATOM   708  C  CB  . VAL B 1 11 ? 68.09500 37.93400 53.95300 1.000 13.87798 ? 9   VAL B CB  1 
ATOM   709  C  CG1 . VAL B 1 11 ? 66.74600 38.05900 54.63600 1.000 15.63872 ? 9   VAL B CG1 1 
ATOM   710  C  CG2 . VAL B 1 11 ? 69.06600 37.19700 54.87600 1.000 17.33629 ? 9   VAL B CG2 1 
ATOM   711  N  N   . PHE B 1 12 ? 67.29700 38.93800 51.03600 1.000 14.09380 ? 10  PHE B N   1 
ATOM   712  C  CA  . PHE B 1 12 ? 66.33900 39.64100 50.18600 1.000 11.74351 ? 10  PHE B CA  1 
ATOM   713  C  C   . PHE B 1 12 ? 65.87500 38.76500 49.02700 1.000 14.23065 ? 10  PHE B C   1 
ATOM   714  O  O   . PHE B 1 12 ? 64.67900 38.69700 48.73800 1.000 16.92571 ? 10  PHE B O   1 
ATOM   715  C  CB  . PHE B 1 12 ? 66.95000 40.94400 49.66400 1.000 13.41740 ? 10  PHE B CB  1 
ATOM   716  C  CG  . PHE B 1 12 ? 65.96700 41.81600 48.92200 1.000 13.74639 ? 10  PHE B CG  1 
ATOM   717  C  CD1 . PHE B 1 12 ? 65.22300 42.76900 49.60200 1.000 14.18328 ? 10  PHE B CD1 1 
ATOM   718  C  CD2 . PHE B 1 12 ? 65.79100 41.68500 47.55100 1.000 15.11497 ? 10  PHE B CD2 1 
ATOM   719  C  CE1 . PHE B 1 12 ? 64.29500 43.56900 48.92600 1.000 13.24633 ? 10  PHE B CE1 1 
ATOM   720  C  CE2 . PHE B 1 12 ? 64.87600 42.47800 46.86300 1.000 14.95706 ? 10  PHE B CE2 1 
ATOM   721  C  CZ  . PHE B 1 12 ? 64.12900 43.42700 47.55500 1.000 14.53332 ? 10  PHE B CZ  1 
ATOM   722  N  N   . SER B 1 13 ? 66.80300 38.08000 48.35700 1.000 15.30710 ? 11  SER B N   1 
ATOM   723  C  CA  A SER B 1 13 ? 66.41200 37.24300 47.22600 0.500 19.45496 ? 11  SER B CA  1 
ATOM   724  C  CA  B SER B 1 13 ? 66.40900 37.24700 47.22400 0.500 18.83910 ? 11  SER B CA  1 
ATOM   725  C  C   . SER B 1 13 ? 65.48700 36.11600 47.67200 1.000 20.64721 ? 11  SER B C   1 
ATOM   726  O  O   . SER B 1 13 ? 64.50900 35.79500 46.98400 1.000 21.61049 ? 11  SER B O   1 
ATOM   727  C  CB  A SER B 1 13 ? 67.65600 36.68300 46.53000 0.500 21.92368 ? 11  SER B CB  1 
ATOM   728  C  CB  B SER B 1 13 ? 67.65500 36.70200 46.51900 0.500 21.78419 ? 11  SER B CB  1 
ATOM   729  O  OG  A SER B 1 13 ? 67.28800 35.98700 45.35100 0.500 24.99510 ? 11  SER B OG  1 
ATOM   730  O  OG  B SER B 1 13 ? 68.33400 35.76700 47.33300 0.500 25.12670 ? 11  SER B OG  1 
ATOM   731  N  N   . ALA B 1 14 ? 65.76400 35.52200 48.83700 1.000 17.51789 ? 12  ALA B N   1 
ATOM   732  C  CA  . ALA B 1 14 ? 65.00500 34.36800 49.31400 1.000 20.87882 ? 12  ALA B CA  1 
ATOM   733  C  C   . ALA B 1 14 ? 63.64300 34.73900 49.89600 1.000 19.19441 ? 12  ALA B C   1 
ATOM   734  O  O   . ALA B 1 14 ? 62.72400 33.90900 49.88900 1.000 21.77103 ? 12  ALA B O   1 
ATOM   735  C  CB  . ALA B 1 14 ? 65.82100 33.61100 50.36800 1.000 20.82881 ? 12  ALA B CB  1 
ATOM   736  N  N   . ASN B 1 15 ? 63.47800 35.96500 50.39500 1.000 16.48882 ? 13  ASN B N   1 
ATOM   737  C  CA  . ASN B 1 15 ? 62.29300 36.31300 51.16200 1.000 14.35435 ? 13  ASN B CA  1 
ATOM   738  C  C   . ASN B 1 15 ? 61.50500 37.50000 50.63100 1.000 14.03853 ? 13  ASN B C   1 
ATOM   739  O  O   . ASN B 1 15 ? 60.32900 37.62700 50.98000 1.000 14.70703 ? 13  ASN B O   1 
ATOM   740  C  CB  . ASN B 1 15 ? 62.67600 36.60500 52.61800 1.000 13.92799 ? 13  ASN B CB  1 
ATOM   741  C  CG  . ASN B 1 15 ? 63.25300 35.39000 53.30300 1.000 16.49145 ? 13  ASN B CG  1 
ATOM   742  O  OD1 . ASN B 1 15 ? 62.51100 34.50900 53.73900 1.000 18.81278 ? 13  ASN B OD1 1 
ATOM   743  N  ND2 . ASN B 1 15 ? 64.57800 35.32000 53.37900 1.000 19.79185 ? 13  ASN B ND2 1 
ATOM   744  N  N   . CYS B 1 16 ? 62.10900 38.37500 49.82900 1.000 14.14906 ? 14  CYS B N   1 
ATOM   745  C  CA  . CYS B 1 16 ? 61.50000 39.65400 49.49700 1.000 11.33031 ? 14  CYS B CA  1 
ATOM   746  C  C   . CYS B 1 16 ? 61.31700 39.85500 48.00900 1.000 13.15684 ? 14  CYS B C   1 
ATOM   747  O  O   . CYS B 1 16 ? 60.38600 40.55400 47.60600 1.000 13.61479 ? 14  CYS B O   1 
ATOM   748  C  CB  . CYS B 1 16 ? 62.35300 40.82400 50.04100 1.000 11.56718 ? 14  CYS B CB  1 
ATOM   749  S  SG  . CYS B 1 16 ? 63.02000 40.60800 51.72100 1.000 12.16198 ? 14  CYS B SG  1 
ATOM   750  N  N   . ALA B 1 17 ? 62.16800 39.24200 47.18500 1.000 13.63848 ? 15  ALA B N   1 
ATOM   751  C  CA  . ALA B 1 17 ? 62.13500 39.49500 45.75100 1.000 13.50688 ? 15  ALA B CA  1 
ATOM   752  C  C   . ALA B 1 17 ? 60.82800 39.04500 45.10900 1.000 14.03326 ? 15  ALA B C   1 
ATOM   753  O  O   . ALA B 1 17 ? 60.48700 39.52000 44.01600 1.000 16.68095 ? 15  ALA B O   1 
ATOM   754  C  CB  . ALA B 1 17 ? 63.32800 38.79800 45.09100 1.000 16.66252 ? 15  ALA B CB  1 
ATOM   755  N  N   . ALA B 1 18 ? 60.08000 38.14700 45.75300 1.000 12.24357 ? 16  ALA B N   1 
ATOM   756  C  CA  . ALA B 1 18 ? 58.81600 37.72200 45.15300 1.000 16.53619 ? 16  ALA B CA  1 
ATOM   757  C  C   . ALA B 1 18 ? 57.85300 38.88800 45.01200 1.000 16.35986 ? 16  ALA B C   1 
ATOM   758  O  O   . ALA B 1 18 ? 56.98500 38.87600 44.12800 1.000 16.77043 ? 16  ALA B O   1 
ATOM   759  C  CB  . ALA B 1 18 ? 58.17200 36.61300 45.98100 1.000 21.10253 ? 16  ALA B CB  1 
ATOM   760  N  N   . CYS B 1 19 ? 57.97900 39.90100 45.87300 1.000 13.04104 ? 17  CYS B N   1 
ATOM   761  C  CA  . CYS B 1 19 ? 57.15500 41.09200 45.75300 1.000 10.05384 ? 17  CYS B CA  1 
ATOM   762  C  C   . CYS B 1 19 ? 57.93700 42.35800 45.44400 1.000 10.45125 ? 17  CYS B C   1 
ATOM   763  O  O   . CYS B 1 19 ? 57.33600 43.32000 44.95600 1.000 12.11724 ? 17  CYS B O   1 
ATOM   764  C  CB  . CYS B 1 19 ? 56.34600 41.31600 47.04200 1.000 12.93576 ? 17  CYS B CB  1 
ATOM   765  S  SG  . CYS B 1 19 ? 55.32100 39.90800 47.44800 1.000 13.37266 ? 17  CYS B SG  1 
ATOM   766  N  N   . HIS B 1 20 ? 59.25700 42.38300 45.69400 1.000 11.08291 ? 18  HIS B N   1 
ATOM   767  C  CA  . HIS B 1 20 ? 60.03200 43.62100 45.65900 1.000 11.21187 ? 18  HIS B CA  1 
ATOM   768  C  C   . HIS B 1 20 ? 61.24900 43.52900 44.74600 1.000 11.65140 ? 18  HIS B C   1 
ATOM   769  O  O   . HIS B 1 20 ? 62.21100 44.26900 44.94900 1.000 13.43845 ? 18  HIS B O   1 
ATOM   770  C  CB  . HIS B 1 20 ? 60.52300 44.02200 47.06100 1.000 9.87487  ? 18  HIS B CB  1 
ATOM   771  C  CG  . HIS B 1 20 ? 59.44300 44.38100 48.03700 1.000 10.88288 ? 18  HIS B CG  1 
ATOM   772  N  ND1 . HIS B 1 20 ? 58.58100 45.44300 47.85500 1.000 11.75930 ? 18  HIS B ND1 1 
ATOM   773  C  CD2 . HIS B 1 20 ? 59.16000 43.87200 49.26100 1.000 12.21199 ? 18  HIS B CD2 1 
ATOM   774  C  CE1 . HIS B 1 20 ? 57.79300 45.55400 48.91400 1.000 14.07274 ? 18  HIS B CE1 1 
ATOM   775  N  NE2 . HIS B 1 20 ? 58.11400 44.60300 49.77400 1.000 11.23293 ? 18  HIS B NE2 1 
ATOM   776  N  N   . LEU B 1 21 ? 61.24300 42.63900 43.75700 1.000 12.26463 ? 19  LEU B N   1 
ATOM   777  C  CA  . LEU B 1 21 ? 62.38500 42.51100 42.85100 1.000 10.76445 ? 19  LEU B CA  1 
ATOM   778  C  C   . LEU B 1 21 ? 62.81400 43.86900 42.31500 1.000 10.82761 ? 19  LEU B C   1 
ATOM   779  O  O   . LEU B 1 21 ? 61.98500 44.64900 41.83900 1.000 12.53571 ? 19  LEU B O   1 
ATOM   780  C  CB  . LEU B 1 21 ? 62.02500 41.58900 41.68600 1.000 12.93839 ? 19  LEU B CB  1 
ATOM   781  C  CG  . LEU B 1 21 ? 63.23000 41.34400 40.76900 1.000 12.00933 ? 19  LEU B CG  1 
ATOM   782  C  CD1 . LEU B 1 21 ? 64.23800 40.47400 41.47500 1.000 15.20972 ? 19  LEU B CD1 1 
ATOM   783  C  CD2 . LEU B 1 21 ? 62.77300 40.67700 39.50900 1.000 14.47016 ? 19  LEU B CD2 1 
ATOM   784  N  N   . GLY B 1 22 ? 64.10900 44.15600 42.40900 1.000 13.45161 ? 20  GLY B N   1 
ATOM   785  C  CA  . GLY B 1 22 ? 64.63900 45.40500 41.89400 1.000 14.14117 ? 20  GLY B CA  1 
ATOM   786  C  C   . GLY B 1 22 ? 64.06100 46.64500 42.52800 1.000 18.09164 ? 20  GLY B C   1 
ATOM   787  O  O   . GLY B 1 22 ? 64.07800 47.71600 41.91000 1.000 17.63106 ? 20  GLY B O   1 
ATOM   788  N  N   . GLY B 1 23 ? 63.54500 46.53400 43.75200 1.000 13.15684 ? 21  GLY B N   1 
ATOM   789  C  CA  . GLY B 1 23 ? 62.97000 47.67600 44.43200 1.000 13.14368 ? 21  GLY B CA  1 
ATOM   790  C  C   . GLY B 1 23 ? 61.51300 47.92700 44.13400 1.000 13.34371 ? 21  GLY B C   1 
ATOM   791  O  O   . GLY B 1 23 ? 60.96200 48.92700 44.61000 1.000 14.99127 ? 21  GLY B O   1 
ATOM   792  N  N   . ARG B 1 24 ? 60.87200 47.04800 43.38100 1.000 11.05922 ? 22  ARG B N   1 
ATOM   793  C  CA  . ARG B 1 24 ? 59.46300 47.19500 43.06500 1.000 10.38019 ? 22  ARG B CA  1 
ATOM   794  C  C   . ARG B 1 24 ? 58.59100 46.99200 44.30700 1.000 12.65415 ? 22  ARG B C   1 
ATOM   795  O  O   . ARG B 1 24 ? 59.06100 46.65800 45.39800 1.000 11.98302 ? 22  ARG B O   1 
ATOM   796  C  CB  . ARG B 1 24 ? 59.05100 46.16700 42.02300 1.000 12.97261 ? 22  ARG B CB  1 
ATOM   797  C  CG  . ARG B 1 24 ? 59.65400 46.35600 40.62700 1.000 14.25434 ? 22  ARG B CG  1 
ATOM   798  C  CD  . ARG B 1 24 ? 59.26300 45.13200 39.80600 1.000 12.30937 ? 22  ARG B CD  1 
ATOM   799  N  NE  . ARG B 1 24 ? 59.72700 45.19700 38.42300 1.000 14.25960 ? 22  ARG B NE  1 
ATOM   800  C  CZ  . ARG B 1 24 ? 60.94000 44.85800 38.01800 1.000 16.76517 ? 22  ARG B CZ  1 
ATOM   801  N  NH1 . ARG B 1 24 ? 61.89400 44.52400 38.88400 1.000 16.00192 ? 22  ARG B NH1 1 
ATOM   802  N  NH2 . ARG B 1 24 ? 61.20900 44.86100 36.70800 1.000 13.18579 ? 22  ARG B NH2 1 
ATOM   803  N  N   . ASN B 1 25 ? 57.28500 47.16200 44.10700 1.000 12.56203 ? 23  ASN B N   1 
ATOM   804  C  CA  . ASN B 1 25 ? 56.28300 46.53800 44.96800 1.000 10.58285 ? 23  ASN B CA  1 
ATOM   805  C  C   . ASN B 1 25 ? 55.15600 46.12900 44.02600 1.000 12.35148 ? 23  ASN B C   1 
ATOM   806  O  O   . ASN B 1 25 ? 54.32200 46.96100 43.65900 1.000 14.54385 ? 23  ASN B O   1 
ATOM   807  C  CB  . ASN B 1 25 ? 55.78500 47.46500 46.07600 1.000 12.14619 ? 23  ASN B CB  1 
ATOM   808  C  CG  . ASN B 1 25 ? 54.84800 46.75700 47.03200 1.000 12.73311 ? 23  ASN B CG  1 
ATOM   809  O  OD1 . ASN B 1 25 ? 54.22000 45.75900 46.67100 1.000 13.70954 ? 23  ASN B OD1 1 
ATOM   810  N  ND2 . ASN B 1 25 ? 54.78000 47.24000 48.27800 1.000 12.96998 ? 23  ASN B ND2 1 
ATOM   811  N  N   . VAL B 1 26 ? 55.13100 44.85000 43.64300 1.000 11.77773 ? 24  VAL B N   1 
ATOM   812  C  CA  . VAL B 1 26 ? 54.14400 44.41400 42.66200 1.000 12.99103 ? 24  VAL B CA  1 
ATOM   813  C  C   . VAL B 1 26 ? 52.75700 44.34700 43.27900 1.000 14.37541 ? 24  VAL B C   1 
ATOM   814  O  O   . VAL B 1 26 ? 51.75800 44.44100 42.56800 1.000 13.93588 ? 24  VAL B O   1 
ATOM   815  C  CB  . VAL B 1 26 ? 54.52200 43.06000 42.03600 1.000 13.78586 ? 24  VAL B CB  1 
ATOM   816  C  CG1 . VAL B 1 26 ? 55.91600 43.15200 41.38800 1.000 13.54899 ? 24  VAL B CG1 1 
ATOM   817  C  CG2 . VAL B 1 26 ? 54.44500 41.92900 43.05300 1.000 15.58082 ? 24  VAL B CG2 1 
ATOM   818  N  N   . VAL B 1 27 ? 52.66500 44.18700 44.59800 1.000 13.62795 ? 25  VAL B N   1 
ATOM   819  C  CA  . VAL B 1 27 ? 51.35500 44.07700 45.23700 1.000 12.89628 ? 25  VAL B CA  1 
ATOM   820  C  C   . VAL B 1 27 ? 50.73000 45.44900 45.44400 1.000 13.38318 ? 25  VAL B C   1 
ATOM   821  O  O   . VAL B 1 27 ? 49.55600 45.68200 45.10900 1.000 15.89138 ? 25  VAL B O   1 
ATOM   822  C  CB  . VAL B 1 27 ? 51.49100 43.31800 46.56800 1.000 12.75153 ? 25  VAL B CB  1 
ATOM   823  C  CG1 . VAL B 1 27 ? 50.15300 43.30600 47.31500 1.000 13.97536 ? 25  VAL B CG1 1 
ATOM   824  C  CG2 . VAL B 1 27 ? 51.95900 41.90200 46.29700 1.000 14.40699 ? 25  VAL B CG2 1 
ATOM   825  N  N   . ASN B 1 28 ? 51.49000 46.37200 46.03300 1.000 13.05156 ? 26  ASN B N   1 
ATOM   826  C  CA  . ASN B 1 28 ? 51.02800 47.73700 46.26900 1.000 12.84891 ? 26  ASN B CA  1 
ATOM   827  C  C   . ASN B 1 28 ? 52.00300 48.67900 45.58200 1.000 15.24656 ? 26  ASN B C   1 
ATOM   828  O  O   . ASN B 1 28 ? 52.99800 49.11100 46.18200 1.000 13.85692 ? 26  ASN B O   1 
ATOM   829  C  CB  . ASN B 1 28 ? 50.92400 48.03600 47.76400 1.000 15.24130 ? 26  ASN B CB  1 
ATOM   830  C  CG  . ASN B 1 28 ? 50.29100 49.36900 48.03200 1.000 26.29789 ? 26  ASN B CG  1 
ATOM   831  O  OD1 . ASN B 1 28 ? 50.27200 50.24500 47.16000 1.000 23.88444 ? 26  ASN B OD1 1 
ATOM   832  N  ND2 . ASN B 1 28 ? 49.75900 49.54000 49.24600 1.000 23.76074 ? 26  ASN B ND2 1 
ATOM   833  N  N   . PRO B 1 29 ? 51.76000 49.02000 44.31100 1.000 15.24130 ? 27  PRO B N   1 
ATOM   834  C  CA  . PRO B 1 29 ? 52.75900 49.78500 43.54700 1.000 14.32803 ? 27  PRO B CA  1 
ATOM   835  C  C   . PRO B 1 29 ? 52.99800 51.18900 44.05300 1.000 16.32301 ? 27  PRO B C   1 
ATOM   836  O  O   . PRO B 1 29 ? 53.92400 51.84800 43.56500 1.000 18.20745 ? 27  PRO B O   1 
ATOM   837  C  CB  . PRO B 1 29 ? 52.17300 49.81100 42.12100 1.000 17.05204 ? 27  PRO B CB  1 
ATOM   838  C  CG  . PRO B 1 29 ? 51.15900 48.69500 42.09400 1.000 18.06532 ? 27  PRO B CG  1 
ATOM   839  C  CD  . PRO B 1 29 ? 50.61800 48.59300 43.48500 1.000 15.87822 ? 27  PRO B CD  1 
ATOM   840  N  N   . ALA B 1 30 ? 52.20800 51.68100 45.00500 1.000 17.53368 ? 28  ALA B N   1 
ATOM   841  C  CA  . ALA B 1 30 ? 52.49600 52.98400 45.58200 1.000 18.63645 ? 28  ALA B CA  1 
ATOM   842  C  C   . ALA B 1 30 ? 53.58600 52.92400 46.64000 1.000 20.09451 ? 28  ALA B C   1 
ATOM   843  O  O   . ALA B 1 30 ? 54.09800 53.97600 47.04100 1.000 22.57376 ? 28  ALA B O   1 
ATOM   844  C  CB  . ALA B 1 30 ? 51.22800 53.58000 46.20900 1.000 20.13136 ? 28  ALA B CB  1 
ATOM   845  N  N   . LYS B 1 31 ? 53.94800 51.73100 47.10600 1.000 16.74938 ? 29  LYS B N   1 
ATOM   846  C  CA  . LYS B 1 31 ? 54.81800 51.59600 48.27500 1.000 15.16498 ? 29  LYS B CA  1 
ATOM   847  C  C   . LYS B 1 31 ? 56.04800 50.76100 47.90600 1.000 13.72270 ? 29  LYS B C   1 
ATOM   848  O  O   . LYS B 1 31 ? 56.27600 49.66600 48.42200 1.000 15.04128 ? 29  LYS B O   1 
ATOM   849  C  CB  . LYS B 1 31 ? 54.02000 51.00800 49.42700 1.000 17.61790 ? 29  LYS B CB  1 
ATOM   850  C  CG  . LYS B 1 31 ? 52.86600 51.93800 49.84500 1.000 20.34454 ? 29  LYS B CG  1 
ATOM   851  C  CD  . LYS B 1 31 ? 52.19300 51.51300 51.12700 1.000 27.15062 ? 29  LYS B CD  1 
ATOM   852  C  CE  . LYS B 1 31 ? 51.20000 52.58100 51.59400 1.000 32.73814 ? 29  LYS B CE  1 
ATOM   853  N  NZ  . LYS B 1 31 ? 50.65200 52.26900 52.94900 1.000 38.27564 ? 29  LYS B NZ  1 
ATOM   854  N  N   . THR B 1 32 ? 56.85100 51.30100 46.98800 1.000 14.33856 ? 30  THR B N   1 
ATOM   855  C  CA  . THR B 1 32 ? 58.02900 50.60400 46.49300 1.000 14.78862 ? 30  THR B CA  1 
ATOM   856  C  C   . THR B 1 32 ? 59.20200 50.77800 47.45100 1.000 13.22264 ? 30  THR B C   1 
ATOM   857  O  O   . THR B 1 32 ? 59.11400 51.47100 48.46700 1.000 15.71767 ? 30  THR B O   1 
ATOM   858  C  CB  . THR B 1 32 ? 58.42300 51.10900 45.10900 1.000 15.92823 ? 30  THR B CB  1 
ATOM   859  O  OG1 . THR B 1 32 ? 59.05900 52.38900 45.24000 1.000 16.20457 ? 30  THR B OG1 1 
ATOM   860  C  CG2 . THR B 1 32 ? 57.18300 51.21500 44.19200 1.000 17.36261 ? 30  THR B CG2 1 
ATOM   861  N  N   . LEU B 1 33 ? 60.32200 50.14000 47.12900 1.000 14.26487 ? 31  LEU B N   1 
ATOM   862  C  CA  . LEU B 1 33 ? 61.53800 50.30700 47.91600 1.000 12.13040 ? 31  LEU B CA  1 
ATOM   863  C  C   . LEU B 1 33 ? 62.45500 51.36400 47.31700 1.000 17.93636 ? 31  LEU B C   1 
ATOM   864  O  O   . LEU B 1 33 ? 63.62300 51.46500 47.71700 1.000 19.48655 ? 31  LEU B O   1 
ATOM   865  C  CB  . LEU B 1 33 ? 62.27100 48.97000 48.05600 1.000 11.71193 ? 31  LEU B CB  1 
ATOM   866  C  CG  . LEU B 1 33 ? 61.42800 47.79200 48.54800 1.000 11.25398 ? 31  LEU B CG  1 
ATOM   867  C  CD1 . LEU B 1 33 ? 62.32300 46.58200 48.87700 1.000 12.05408 ? 31  LEU B CD1 1 
ATOM   868  C  CD2 . LEU B 1 33 ? 60.58300 48.19700 49.76900 1.000 14.35698 ? 31  LEU B CD2 1 
ATOM   869  N  N   . GLN B 1 34 ? 61.95200 52.15200 46.36500 1.000 16.57567 ? 32  GLN B N   1 
ATOM   870  C  CA  . GLN B 1 34 ? 62.72800 53.25800 45.82000 1.000 20.96830 ? 32  GLN B CA  1 
ATOM   871  C  C   . GLN B 1 34 ? 62.86800 54.37800 46.84500 1.000 21.24728 ? 32  GLN B C   1 
ATOM   872  O  O   . GLN B 1 34 ? 62.01400 54.56300 47.71800 1.000 18.54433 ? 32  GLN B O   1 
ATOM   873  C  CB  . GLN B 1 34 ? 62.06200 53.79700 44.55300 1.000 19.81290 ? 32  GLN B CB  1 
ATOM   874  C  CG  . GLN B 1 34 ? 61.82100 52.73800 43.50300 1.000 22.83168 ? 32  GLN B CG  1 
ATOM   875  C  CD  . GLN B 1 34 ? 61.02100 53.27200 42.33500 1.000 32.30387 ? 32  GLN B CD  1 
ATOM   876  O  OE1 . GLN B 1 34 ? 61.56700 53.91600 41.43900 1.000 43.40784 ? 32  GLN B OE1 1 
ATOM   877  N  NE2 . GLN B 1 34 ? 59.71700 53.01700 42.34500 1.000 33.80668 ? 32  GLN B NE2 1 
ATOM   878  N  N   . LYS B 1 35 ? 63.95900 55.14200 46.71700 1.000 21.38677 ? 33  LYS B N   1 
ATOM   879  C  CA  . LYS B 1 35 ? 64.27300 56.16700 47.70900 1.000 24.25554 ? 33  LYS B CA  1 
ATOM   880  C  C   . LYS B 1 35 ? 63.11700 57.13900 47.90600 1.000 23.57388 ? 33  LYS B C   1 
ATOM   881  O  O   . LYS B 1 35 ? 62.79400 57.50600 49.03700 1.000 23.87918 ? 33  LYS B O   1 
ATOM   882  C  CB  . LYS B 1 35 ? 65.53800 56.92400 47.30000 1.000 24.82140 ? 33  LYS B CB  1 
ATOM   883  C  CG  . LYS B 1 35 ? 65.93700 58.01100 48.29600 1.000 33.29347 ? 33  LYS B CG  1 
ATOM   884  C  CD  . LYS B 1 35 ? 67.11700 58.82300 47.77700 1.000 36.67019 ? 33  LYS B CD  1 
ATOM   885  C  CE  . LYS B 1 35 ? 67.38300 60.04400 48.63600 1.000 36.88863 ? 33  LYS B CE  1 
ATOM   886  N  NZ  . LYS B 1 35 ? 67.77700 59.68800 50.02400 1.000 43.39994 ? 33  LYS B NZ  1 
ATOM   887  N  N   . ALA B 1 36 ? 62.46100 57.55300 46.81800 1.000 27.04798 ? 34  ALA B N   1 
ATOM   888  C  CA  . ALA B 1 36 ? 61.38900 58.53300 46.96200 1.000 24.81613 ? 34  ALA B CA  1 
ATOM   889  C  C   . ALA B 1 36 ? 60.24800 57.98700 47.81200 1.000 23.95024 ? 34  ALA B C   1 
ATOM   890  O  O   . ALA B 1 36 ? 59.68700 58.70500 48.64800 1.000 24.02393 ? 34  ALA B O   1 
ATOM   891  C  CB  . ALA B 1 36 ? 60.86800 58.95600 45.59100 1.000 24.98457 ? 34  ALA B CB  1 
ATOM   892  N  N   . ASP B 1 37 ? 59.88200 56.72000 47.60500 1.000 23.16594 ? 35  ASP B N   1 
ATOM   893  C  CA  . ASP B 1 37 ? 58.78100 56.14100 48.36700 1.000 19.61288 ? 35  ASP B CA  1 
ATOM   894  C  C   . ASP B 1 37 ? 59.16800 55.89500 49.82200 1.000 20.09451 ? 35  ASP B C   1 
ATOM   895  O  O   . ASP B 1 37 ? 58.38900 56.20400 50.73100 1.000 20.40508 ? 35  ASP B O   1 
ATOM   896  C  CB  . ASP B 1 37 ? 58.31600 54.84600 47.71100 1.000 18.22587 ? 35  ASP B CB  1 
ATOM   897  C  CG  . ASP B 1 37 ? 57.45500 55.09600 46.48700 1.000 24.22396 ? 35  ASP B CG  1 
ATOM   898  O  OD1 . ASP B 1 37 ? 57.09000 56.27100 46.24700 1.000 25.67676 ? 35  ASP B OD1 1 
ATOM   899  O  OD2 . ASP B 1 37 ? 57.14600 54.12400 45.77600 1.000 20.07083 ? 35  ASP B OD2 1 
ATOM   900  N  N   . LEU B 1 38 ? 60.35100 55.32900 50.06700 1.000 21.51311 ? 36  LEU B N   1 
ATOM   901  C  CA  . LEU B 1 38 ? 60.78000 55.15600 51.45400 1.000 19.17598 ? 36  LEU B CA  1 
ATOM   902  C  C   . LEU B 1 38 ? 60.78300 56.49100 52.18200 1.000 23.35543 ? 36  LEU B C   1 
ATOM   903  O  O   . LEU B 1 38 ? 60.31500 56.58300 53.32300 1.000 22.76326 ? 36  LEU B O   1 
ATOM   904  C  CB  . LEU B 1 38 ? 62.16800 54.51400 51.52100 1.000 20.11820 ? 36  LEU B CB  1 
ATOM   905  C  CG  . LEU B 1 38 ? 62.28600 53.10000 50.94700 1.000 17.12837 ? 36  LEU B CG  1 
ATOM   906  C  CD1 . LEU B 1 38 ? 63.73400 52.61900 51.04300 1.000 23.56335 ? 36  LEU B CD1 1 
ATOM   907  C  CD2 . LEU B 1 38 ? 61.32500 52.14500 51.64800 1.000 19.49444 ? 36  LEU B CD2 1 
ATOM   908  N  N   . ASP B 1 39 ? 61.30000 57.54100 51.53200 1.000 20.71301 ? 37  ASP B N   1 
ATOM   909  C  CA  . ASP B 1 39 ? 61.32800 58.85800 52.16600 1.000 26.87954 ? 37  ASP B CA  1 
ATOM   910  C  C   . ASP B 1 39 ? 59.91700 59.37100 52.42300 1.000 22.97381 ? 37  ASP B C   1 
ATOM   911  O  O   . ASP B 1 39 ? 59.62000 59.88400 53.51100 1.000 26.39264 ? 37  ASP B O   1 
ATOM   912  C  CB  . ASP B 1 39 ? 62.09500 59.85200 51.29400 1.000 27.85071 ? 37  ASP B CB  1 
ATOM   913  C  CG  . ASP B 1 39 ? 63.59600 59.64700 51.34100 1.000 30.84054 ? 37  ASP B CG  1 
ATOM   914  O  OD1 . ASP B 1 39 ? 64.08600 58.88600 52.20700 1.000 31.94330 ? 37  ASP B OD1 1 
ATOM   915  O  OD2 . ASP B 1 39 ? 64.29500 60.25800 50.50800 1.000 30.78264 ? 37  ASP B OD2 1 
ATOM   916  N  N   . GLN B 1 40 ? 59.03300 59.23500 51.43100 1.000 24.15290 ? 38  GLN B N   1 
ATOM   917  C  CA  . GLN B 1 40 ? 57.67100 59.73900 51.56500 1.000 23.99761 ? 38  GLN B CA  1 
ATOM   918  C  C   . GLN B 1 40 ? 56.95400 59.11100 52.74900 1.000 24.93194 ? 38  GLN B C   1 
ATOM   919  O  O   . GLN B 1 40 ? 56.19200 59.78800 53.45200 1.000 28.66133 ? 38  GLN B O   1 
ATOM   920  C  CB  . GLN B 1 40 ? 56.88700 59.48100 50.27800 1.000 27.91124 ? 38  GLN B CB  1 
ATOM   921  C  CG  . GLN B 1 40 ? 55.40400 59.71100 50.43400 1.000 27.32959 ? 38  GLN B CG  1 
ATOM   922  C  CD  . GLN B 1 40 ? 54.63600 59.41100 49.16600 1.000 34.33833 ? 38  GLN B CD  1 
ATOM   923  O  OE1 . GLN B 1 40 ? 55.22600 59.17500 48.10500 1.000 31.45377 ? 38  GLN B OE1 1 
ATOM   924  N  NE2 . GLN B 1 40 ? 53.30900 59.42200 49.26600 1.000 30.00623 ? 38  GLN B NE2 1 
ATOM   925  N  N   . TYR B 1 41 ? 57.20200 57.82800 53.00600 1.000 22.73957 ? 39  TYR B N   1 
ATOM   926  C  CA  . TYR B 1 41 ? 56.51000 57.11300 54.06600 1.000 22.17108 ? 39  TYR B CA  1 
ATOM   927  C  C   . TYR B 1 41 ? 57.33600 56.98400 55.34300 1.000 21.44994 ? 39  TYR B C   1 
ATOM   928  O  O   . TYR B 1 41 ? 56.92700 56.26500 56.25500 1.000 22.51849 ? 39  TYR B O   1 
ATOM   929  C  CB  . TYR B 1 41 ? 56.06700 55.73900 53.56400 1.000 20.03135 ? 39  TYR B CB  1 
ATOM   930  C  CG  . TYR B 1 41 ? 55.09700 55.85300 52.40400 1.000 21.83156 ? 39  TYR B CG  1 
ATOM   931  C  CD1 . TYR B 1 41 ? 53.85100 56.45000 52.57200 1.000 30.28258 ? 39  TYR B CD1 1 
ATOM   932  C  CD2 . TYR B 1 41 ? 55.43800 55.39400 51.13900 1.000 21.11569 ? 39  TYR B CD2 1 
ATOM   933  C  CE1 . TYR B 1 41 ? 52.96900 56.57400 51.50900 1.000 27.55330 ? 39  TYR B CE1 1 
ATOM   934  C  CE2 . TYR B 1 41 ? 54.56400 55.51500 50.07300 1.000 27.76649 ? 39  TYR B CE2 1 
ATOM   935  C  CZ  . TYR B 1 41 ? 53.33300 56.10200 50.26500 1.000 28.26918 ? 39  TYR B CZ  1 
ATOM   936  O  OH  . TYR B 1 41 ? 52.46400 56.22200 49.20300 1.000 30.68526 ? 39  TYR B OH  1 
ATOM   937  N  N   . GLY B 1 42 ? 58.46200 57.69100 55.43800 1.000 19.78921 ? 40  GLY B N   1 
ATOM   938  C  CA  . GLY B 1 42 ? 59.28400 57.63600 56.63500 1.000 21.75787 ? 40  GLY B CA  1 
ATOM   939  C  C   . GLY B 1 42 ? 59.88600 56.27500 56.90400 1.000 23.94498 ? 40  GLY B C   1 
ATOM   940  O  O   . GLY B 1 42 ? 60.17400 55.94600 58.06200 1.000 24.56347 ? 40  GLY B O   1 
ATOM   941  N  N   . MET B 1 43 ? 60.09500 55.47700 55.85900 1.000 19.74447 ? 41  MET B N   1 
ATOM   942  C  CA  . MET B 1 43 ? 60.58000 54.11000 55.97900 1.000 18.39168 ? 41  MET B CA  1 
ATOM   943  C  C   . MET B 1 43 ? 62.06400 53.98900 55.65300 1.000 19.96555 ? 41  MET B C   1 
ATOM   944  O  O   . MET B 1 43 ? 62.57000 52.87100 55.51500 1.000 20.72354 ? 41  MET B O   1 
ATOM   945  C  CB  . MET B 1 43 ? 59.75900 53.18000 55.06800 1.000 19.57866 ? 41  MET B CB  1 
ATOM   946  C  CG  . MET B 1 43 ? 58.31000 52.96700 55.51400 1.000 20.06030 ? 41  MET B CG  1 
ATOM   947  S  SD  . MET B 1 43 ? 58.18700 52.00100 57.05700 1.000 26.13471 ? 41  MET B SD  1 
ATOM   948  C  CE  . MET B 1 43 ? 59.05100 50.49500 56.59700 1.000 19.18125 ? 41  MET B CE  1 
ATOM   949  N  N   . ALA B 1 44 ? 62.77100 55.10600 55.50200 1.000 19.43391 ? 42  ALA B N   1 
ATOM   950  C  CA  . ALA B 1 44 ? 64.17700 55.05600 55.10500 1.000 22.20266 ? 42  ALA B CA  1 
ATOM   951  C  C   . ALA B 1 44 ? 65.07100 55.02000 56.34400 1.000 22.50533 ? 42  ALA B C   1 
ATOM   952  O  O   . ALA B 1 44 ? 65.91300 55.88600 56.57300 1.000 24.37134 ? 42  ALA B O   1 
ATOM   953  C  CB  . ALA B 1 44 ? 64.52200 56.23300 54.20100 1.000 24.57663 ? 42  ALA B CB  1 
ATOM   954  N  N   . SER B 1 45 ? 64.85400 53.99300 57.15900 1.000 22.62113 ? 43  SER B N   1 
ATOM   955  C  CA  . SER B 1 45 ? 65.67300 53.78900 58.34600 1.000 21.74208 ? 43  SER B CA  1 
ATOM   956  C  C   . SER B 1 45 ? 65.74700 52.29900 58.63100 1.000 23.46597 ? 43  SER B C   1 
ATOM   957  O  O   . SER B 1 45 ? 64.86200 51.53100 58.23900 1.000 22.50007 ? 43  SER B O   1 
ATOM   958  C  CB  . SER B 1 45 ? 65.12000 54.52200 59.56900 1.000 25.16881 ? 43  SER B CB  1 
ATOM   959  O  OG  . SER B 1 45 ? 63.96900 53.87000 60.08800 1.000 26.04260 ? 43  SER B OG  1 
ATOM   960  N  N   . ILE B 1 46 ? 66.81000 51.89700 59.33000 1.000 25.63465 ? 44  ILE B N   1 
ATOM   961  C  CA  . ILE B 1 46 ? 66.95600 50.49100 59.69500 1.000 19.17335 ? 44  ILE B CA  1 
ATOM   962  C  C   . ILE B 1 46 ? 65.81000 50.05200 60.59400 1.000 22.42900 ? 44  ILE B C   1 
ATOM   963  O  O   . ILE B 1 46 ? 65.25200 48.96100 60.42400 1.000 22.42637 ? 44  ILE B O   1 
ATOM   964  C  CB  . ILE B 1 46 ? 68.32500 50.25100 60.35900 1.000 23.08171 ? 44  ILE B CB  1 
ATOM   965  C  CG1 . ILE B 1 46 ? 69.44800 50.42700 59.33100 1.000 22.50007 ? 44  ILE B CG1 1 
ATOM   966  C  CG2 . ILE B 1 46 ? 68.36700 48.87600 60.99200 1.000 24.22922 ? 44  ILE B CG2 1 
ATOM   967  C  CD1 . ILE B 1 46 ? 69.41800 49.42200 58.22700 1.000 23.67915 ? 44  ILE B CD1 1 
ATOM   968  N  N   . GLU B 1 47 ? 65.43200 50.89100 61.56100 1.000 20.61037 ? 45  GLU B N   1 
ATOM   969  C  CA  . GLU B 1 47 ? 64.41400 50.48000 62.52100 1.000 23.68442 ? 45  GLU B CA  1 
ATOM   970  C  C   . GLU B 1 47 ? 63.04200 50.36900 61.86900 1.000 20.28927 ? 45  GLU B C   1 
ATOM   971  O  O   . GLU B 1 47 ? 62.28700 49.44000 62.17000 1.000 21.58943 ? 45  GLU B O   1 
ATOM   972  C  CB  . GLU B 1 47 ? 64.35800 51.45000 63.70400 1.000 24.21080 ? 45  GLU B CB  1 
ATOM   973  C  CG  . GLU B 1 47 ? 65.49500 51.25200 64.69200 1.000 31.99594 ? 45  GLU B CG  1 
ATOM   974  C  CD  . GLU B 1 47 ? 65.62100 49.80200 65.14800 1.000 42.52615 ? 45  GLU B CD  1 
ATOM   975  O  OE1 . GLU B 1 47 ? 64.69900 49.31000 65.83800 1.000 44.55534 ? 45  GLU B OE1 1 
ATOM   976  O  OE2 . GLU B 1 47 ? 66.63500 49.15400 64.79700 1.000 45.81865 ? 45  GLU B OE2 1 
ATOM   977  N  N   . ALA B 1 48 ? 62.70300 51.30300 60.97800 1.000 21.59469 ? 46  ALA B N   1 
ATOM   978  C  CA  . ALA B 1 48 ? 61.40600 51.23900 60.30500 1.000 19.55761 ? 46  ALA B CA  1 
ATOM   979  C  C   . ALA B 1 48 ? 61.30200 49.97700 59.46300 1.000 16.60725 ? 46  ALA B C   1 
ATOM   980  O  O   . ALA B 1 48 ? 60.28900 49.26600 59.50000 1.000 19.12335 ? 46  ALA B O   1 
ATOM   981  C  CB  . ALA B 1 48 ? 61.20600 52.48100 59.44200 1.000 21.74208 ? 46  ALA B CB  1 
ATOM   982  N  N   . ILE B 1 49 ? 62.35200 49.67800 58.69900 1.000 17.05994 ? 47  ILE B N   1 
ATOM   983  C  CA  . ILE B 1 49 ? 62.33100 48.47500 57.87500 1.000 17.94426 ? 47  ILE B CA  1 
ATOM   984  C  C   . ILE B 1 49 ? 62.30000 47.23800 58.76200 1.000 17.06784 ? 47  ILE B C   1 
ATOM   985  O  O   . ILE B 1 49 ? 61.55200 46.28800 58.50700 1.000 16.02297 ? 47  ILE B O   1 
ATOM   986  C  CB  . ILE B 1 49 ? 63.53700 48.46800 56.91700 1.000 17.90478 ? 47  ILE B CB  1 
ATOM   987  C  CG1 . ILE B 1 49 ? 63.46000 49.65900 55.95100 1.000 18.33641 ? 47  ILE B CG1 1 
ATOM   988  C  CG2 . ILE B 1 49 ? 63.60300 47.15200 56.13800 1.000 17.81793 ? 47  ILE B CG2 1 
ATOM   989  C  CD1 . ILE B 1 49 ? 64.72000 49.89500 55.17700 1.000 17.24680 ? 47  ILE B CD1 1 
ATOM   990  N  N   . THR B 1 50 ? 63.11500 47.22700 59.81900 1.000 17.72581 ? 48  THR B N   1 
ATOM   991  C  CA  . THR B 1 50 ? 63.14700 46.08200 60.71900 1.000 16.77306 ? 48  THR B CA  1 
ATOM   992  C  C   . THR B 1 50 ? 61.78400 45.82200 61.33500 1.000 19.10229 ? 48  THR B C   1 
ATOM   993  O  O   . THR B 1 50 ? 61.34200 44.66900 61.42300 1.000 17.20206 ? 48  THR B O   1 
ATOM   994  C  CB  . THR B 1 50 ? 64.19100 46.31200 61.81800 1.000 19.01281 ? 48  THR B CB  1 
ATOM   995  O  OG1 . THR B 1 50 ? 65.49800 46.27500 61.23200 1.000 21.71576 ? 48  THR B OG1 1 
ATOM   996  C  CG2 . THR B 1 50 ? 64.09500 45.23900 62.86600 1.000 20.84724 ? 48  THR B CG2 1 
ATOM   997  N  N   . THR B 1 51 ? 61.10900 46.88100 61.78100 1.000 19.82080 ? 49  THR B N   1 
ATOM   998  C  CA  . THR B 1 51 ? 59.80300 46.70200 62.40400 1.000 19.71289 ? 49  THR B CA  1 
ATOM   999  C  C   . THR B 1 51 ? 58.80100 46.14000 61.40700 1.000 18.48116 ? 49  THR B C   1 
ATOM   1000 O  O   . THR B 1 51 ? 58.02700 45.23500 61.74200 1.000 20.16821 ? 49  THR B O   1 
ATOM   1001 C  CB  . THR B 1 51 ? 59.30400 48.02500 62.98300 1.000 22.89748 ? 49  THR B CB  1 
ATOM   1002 O  OG1 . THR B 1 51 ? 60.09300 48.36600 64.13300 1.000 25.20302 ? 49  THR B OG1 1 
ATOM   1003 C  CG2 . THR B 1 51 ? 57.84200 47.92200 63.38700 1.000 27.62700 ? 49  THR B CG2 1 
ATOM   1004 N  N   . GLN B 1 52 ? 58.81900 46.64300 60.17000 1.000 19.32337 ? 50  GLN B N   1 
ATOM   1005 C  CA  . GLN B 1 52 ? 57.83200 46.19300 59.18900 1.000 17.62053 ? 50  GLN B CA  1 
ATOM   1006 C  C   . GLN B 1 52 ? 58.11400 44.76700 58.73000 1.000 16.29143 ? 50  GLN B C   1 
ATOM   1007 O  O   . GLN B 1 52 ? 57.17900 43.97300 58.56300 1.000 16.99941 ? 50  GLN B O   1 
ATOM   1008 C  CB  . GLN B 1 52 ? 57.78800 47.13400 57.99200 1.000 19.31021 ? 50  GLN B CB  1 
ATOM   1009 C  CG  . GLN B 1 52 ? 56.64100 46.76200 57.03700 1.000 20.38139 ? 50  GLN B CG  1 
ATOM   1010 C  CD  . GLN B 1 52 ? 55.95800 47.96200 56.45100 1.000 19.25494 ? 50  GLN B CD  1 
ATOM   1011 O  OE1 . GLN B 1 52 ? 55.72500 48.95200 57.14500 1.000 19.51023 ? 50  GLN B OE1 1 
ATOM   1012 N  NE2 . GLN B 1 52 ? 55.62200 47.88700 55.16600 1.000 18.97333 ? 50  GLN B NE2 1 
ATOM   1013 N  N   . VAL B 1 53 ? 59.39600 44.41800 58.54500 1.000 15.66240 ? 51  VAL B N   1 
ATOM   1014 C  CA  . VAL B 1 53 ? 59.76600 43.03000 58.25800 1.000 12.48044 ? 51  VAL B CA  1 
ATOM   1015 C  C   . VAL B 1 53 ? 59.38600 42.11200 59.41700 1.000 16.02824 ? 51  VAL B C   1 
ATOM   1016 O  O   . VAL B 1 53 ? 58.85500 41.01100 59.21200 1.000 15.64924 ? 51  VAL B O   1 
ATOM   1017 C  CB  . VAL B 1 53 ? 61.26400 42.93400 57.92100 1.000 14.40173 ? 51  VAL B CB  1 
ATOM   1018 C  CG1 . VAL B 1 53 ? 61.67700 41.48800 57.69300 1.000 15.28868 ? 51  VAL B CG1 1 
ATOM   1019 C  CG2 . VAL B 1 53 ? 61.55600 43.75100 56.68300 1.000 12.24621 ? 51  VAL B CG2 1 
ATOM   1020 N  N   . THR B 1 54 ? 59.65800 42.53600 60.65000 1.000 16.02297 ? 52  THR B N   1 
ATOM   1021 C  CA  . THR B 1 54 ? 59.36600 41.67800 61.79600 1.000 16.33354 ? 52  THR B CA  1 
ATOM   1022 C  C   . THR B 1 54 ? 57.87000 41.41700 61.92800 1.000 17.54158 ? 52  THR B C   1 
ATOM   1023 O  O   . THR B 1 54 ? 57.44000 40.26900 62.09900 1.000 17.30734 ? 52  THR B O   1 
ATOM   1024 C  CB  . THR B 1 54 ? 59.91700 42.31400 63.07300 1.000 15.64924 ? 52  THR B CB  1 
ATOM   1025 O  OG1 . THR B 1 54 ? 61.33800 42.45300 62.93100 1.000 19.88923 ? 52  THR B OG1 1 
ATOM   1026 C  CG2 . THR B 1 54 ? 59.61300 41.44000 64.28200 1.000 22.94222 ? 52  THR B CG2 1 
ATOM   1027 N  N   . ASN B 1 55 ? 57.06300 42.47100 61.83600 1.000 17.34418 ? 53  ASN B N   1 
ATOM   1028 C  CA  . ASN B 1 55 ? 55.64900 42.38600 62.17800 1.000 20.58405 ? 53  ASN B CA  1 
ATOM   1029 C  C   . ASN B 1 55 ? 54.72600 42.22000 60.98500 1.000 20.37613 ? 53  ASN B C   1 
ATOM   1030 O  O   . ASN B 1 55 ? 53.56300 41.83900 61.18500 1.000 20.54720 ? 53  ASN B O   1 
ATOM   1031 C  CB  . ASN B 1 55 ? 55.20200 43.64000 62.93700 1.000 22.12634 ? 53  ASN B CB  1 
ATOM   1032 C  CG  . ASN B 1 55 ? 55.91700 43.80500 64.27100 1.000 24.72665 ? 53  ASN B CG  1 
ATOM   1033 O  OD1 . ASN B 1 55 ? 56.39300 42.83800 64.85700 1.000 26.31368 ? 53  ASN B OD1 1 
ATOM   1034 N  ND2 . ASN B 1 55 ? 56.00000 45.03700 64.74500 1.000 29.76673 ? 53  ASN B ND2 1 
ATOM   1035 N  N   . GLY B 1 56 ? 55.19900 42.50700 59.76900 1.000 19.81817 ? 54  GLY B N   1 
ATOM   1036 C  CA  . GLY B 1 56 ? 54.30600 42.58800 58.62900 1.000 13.52531 ? 54  GLY B CA  1 
ATOM   1037 C  C   . GLY B 1 56 ? 53.45700 43.84400 58.66000 1.000 18.94701 ? 54  GLY B C   1 
ATOM   1038 O  O   . GLY B 1 56 ? 53.44800 44.59000 59.64800 1.000 20.79723 ? 54  GLY B O   1 
ATOM   1039 N  N   . LYS B 1 57 ? 52.72200 44.09100 57.57800 1.000 15.95981 ? 55  LYS B N   1 
ATOM   1040 C  CA  . LYS B 1 57 ? 51.79300 45.21300 57.53400 1.000 19.43654 ? 55  LYS B CA  1 
ATOM   1041 C  C   . LYS B 1 57 ? 50.87700 45.04200 56.34000 1.000 19.06018 ? 55  LYS B C   1 
ATOM   1042 O  O   . LYS B 1 57 ? 51.35900 44.92200 55.21200 1.000 16.87571 ? 55  LYS B O   1 
ATOM   1043 C  CB  . LYS B 1 57 ? 52.51300 46.55600 57.41900 1.000 18.10217 ? 55  LYS B CB  1 
ATOM   1044 C  CG  . LYS B 1 57 ? 51.56500 47.76900 57.49800 1.000 21.91315 ? 55  LYS B CG  1 
ATOM   1045 C  CD  . LYS B 1 57 ? 52.29200 49.04600 57.11700 1.000 22.80800 ? 55  LYS B CD  1 
ATOM   1046 C  CE  . LYS B 1 57 ? 51.42500 50.27400 57.29100 1.000 31.13005 ? 55  LYS B CE  1 
ATOM   1047 N  NZ  . LYS B 1 57 ? 51.22500 50.55900 58.73900 1.000 40.74436 ? 55  LYS B NZ  1 
ATOM   1048 N  N   . GLY B 1 58 ? 49.56900 45.04800 56.56600 1.000 21.66049 ? 56  GLY B N   1 
ATOM   1049 C  CA  . GLY B 1 58 ? 48.66200 44.93000 55.43400 1.000 19.19177 ? 56  GLY B CA  1 
ATOM   1050 C  C   . GLY B 1 58 ? 48.87100 43.61500 54.71900 1.000 18.66013 ? 56  GLY B C   1 
ATOM   1051 O  O   . GLY B 1 58 ? 48.88600 42.54100 55.33200 1.000 19.78921 ? 56  GLY B O   1 
ATOM   1052 N  N   . ALA B 1 59 ? 49.04600 43.69800 53.40200 1.000 16.20457 ? 57  ALA B N   1 
ATOM   1053 C  CA  . ALA B 1 59 ? 49.30100 42.52600 52.57900 1.000 14.53069 ? 57  ALA B CA  1 
ATOM   1054 C  C   . ALA B 1 59 ? 50.73800 42.02100 52.67200 1.000 15.94402 ? 57  ALA B C   1 
ATOM   1055 O  O   . ALA B 1 59 ? 51.03700 40.96600 52.10400 1.000 18.63381 ? 57  ALA B O   1 
ATOM   1056 C  CB  . ALA B 1 59 ? 48.96600 42.83900 51.11400 1.000 14.38330 ? 57  ALA B CB  1 
ATOM   1057 N  N   . MET B 1 60 ? 51.63500 42.72500 53.36500 1.000 12.77522 ? 58  MET B N   1 
ATOM   1058 C  CA  . MET B 1 60 ? 53.00000 42.22000 53.51900 1.000 14.94127 ? 58  MET B CA  1 
ATOM   1059 C  C   . MET B 1 60 ? 53.07900 41.25500 54.69700 1.000 15.89401 ? 58  MET B C   1 
ATOM   1060 O  O   . MET B 1 60 ? 52.71200 41.63200 55.82200 1.000 14.97548 ? 58  MET B O   1 
ATOM   1061 C  CB  . MET B 1 60 ? 53.98500 43.34800 53.74000 1.000 14.83599 ? 58  MET B CB  1 
ATOM   1062 C  CG  . MET B 1 60 ? 55.40700 42.82100 53.93000 1.000 13.37002 ? 58  MET B CG  1 
ATOM   1063 S  SD  . MET B 1 60 ? 56.58600 44.15700 53.87100 1.000 12.19094 ? 58  MET B SD  1 
ATOM   1064 C  CE  . MET B 1 60 ? 57.88400 43.55600 54.97500 1.000 11.41979 ? 58  MET B CE  1 
ATOM   1065 N  N   . PRO B 1 61 ? 53.54700 40.03000 54.49500 1.000 13.17790 ? 59  PRO B N   1 
ATOM   1066 C  CA  . PRO B 1 61 ? 53.61900 39.07200 55.59900 1.000 15.38606 ? 59  PRO B CA  1 
ATOM   1067 C  C   . PRO B 1 61 ? 54.65800 39.47500 56.63200 1.000 17.53894 ? 59  PRO B C   1 
ATOM   1068 O  O   . PRO B 1 61 ? 55.55700 40.28400 56.37800 1.000 15.46238 ? 59  PRO B O   1 
ATOM   1069 C  CB  . PRO B 1 61 ? 54.00700 37.75500 54.91300 1.000 19.53918 ? 59  PRO B CB  1 
ATOM   1070 C  CG  . PRO B 1 61 ? 54.44100 38.10700 53.54700 1.000 18.28640 ? 59  PRO B CG  1 
ATOM   1071 C  CD  . PRO B 1 61 ? 53.93300 39.44800 53.19600 1.000 14.87810 ? 59  PRO B CD  1 
ATOM   1072 N  N   . ALA B 1 62 ? 54.50700 38.89200 57.82200 1.000 15.24920 ? 60  ALA B N   1 
ATOM   1073 C  CA  . ALA B 1 62 ? 55.47100 39.05200 58.90400 1.000 15.05180 ? 60  ALA B CA  1 
ATOM   1074 C  C   . ALA B 1 62 ? 56.58700 38.02800 58.77500 1.000 18.21534 ? 60  ALA B C   1 
ATOM   1075 O  O   . ALA B 1 62 ? 56.35200 36.88100 58.38600 1.000 21.46836 ? 60  ALA B O   1 
ATOM   1076 C  CB  . ALA B 1 62 ? 54.76900 38.89000 60.25800 1.000 17.87846 ? 60  ALA B CB  1 
ATOM   1077 N  N   . PHE B 1 63 ? 57.81200 38.43200 59.13500 1.000 15.28604 ? 61  PHE B N   1 
ATOM   1078 C  CA  . PHE B 1 63 ? 58.95500 37.53300 59.06500 1.000 14.62807 ? 61  PHE B CA  1 
ATOM   1079 C  C   . PHE B 1 63 ? 59.60800 37.30700 60.42100 1.000 15.75452 ? 61  PHE B C   1 
ATOM   1080 O  O   . PHE B 1 63 ? 60.58300 36.55800 60.49200 1.000 17.87583 ? 61  PHE B O   1 
ATOM   1081 C  CB  . PHE B 1 63 ? 60.00500 38.07000 58.07800 1.000 14.93863 ? 61  PHE B CB  1 
ATOM   1082 C  CG  . PHE B 1 63 ? 59.54100 38.05900 56.64900 1.000 15.94139 ? 61  PHE B CG  1 
ATOM   1083 C  CD1 . PHE B 1 63 ? 58.74200 39.08700 56.16400 1.000 14.45963 ? 61  PHE B CD1 1 
ATOM   1084 C  CD2 . PHE B 1 63 ? 59.92000 37.03800 55.78800 1.000 18.62065 ? 61  PHE B CD2 1 
ATOM   1085 C  CE1 . PHE B 1 63 ? 58.29600 39.07900 54.83900 1.000 14.52016 ? 61  PHE B CE1 1 
ATOM   1086 C  CE2 . PHE B 1 63 ? 59.47200 37.02000 54.46700 1.000 15.70188 ? 61  PHE B CE2 1 
ATOM   1087 C  CZ  . PHE B 1 63 ? 58.67000 38.05200 53.99700 1.000 15.05970 ? 61  PHE B CZ  1 
ATOM   1088 N  N   . GLY B 1 64 ? 59.08700 37.92300 61.48000 1.000 17.20469 ? 62  GLY B N   1 
ATOM   1089 C  CA  . GLY B 1 64 ? 59.72300 37.90000 62.79600 1.000 17.80740 ? 62  GLY B CA  1 
ATOM   1090 C  C   . GLY B 1 64 ? 59.92200 36.52500 63.40200 1.000 21.91315 ? 62  GLY B C   1 
ATOM   1091 O  O   . GLY B 1 64 ? 60.82400 36.35300 64.23100 1.000 20.33402 ? 62  GLY B O   1 
ATOM   1092 N  N   . SER B 1 65 ? 59.09500 35.54600 63.04100 1.000 19.42601 ? 63  SER B N   1 
ATOM   1093 C  CA  . SER B 1 65 ? 59.26700 34.19900 63.57100 1.000 20.83671 ? 63  SER B CA  1 
ATOM   1094 C  C   . SER B 1 65 ? 60.07300 33.29800 62.65200 1.000 24.81613 ? 63  SER B C   1 
ATOM   1095 O  O   . SER B 1 65 ? 60.48600 32.21600 63.08300 1.000 29.02716 ? 63  SER B O   1 
ATOM   1096 C  CB  . SER B 1 65 ? 57.90400 33.54700 63.84500 1.000 28.29550 ? 63  SER B CB  1 
ATOM   1097 O  OG  . SER B 1 65 ? 57.22000 33.28300 62.62900 1.000 32.21176 ? 63  SER B OG  1 
ATOM   1098 N  N   . LYS B 1 66 ? 60.30500 33.71900 61.40700 1.000 22.41848 ? 64  LYS B N   1 
ATOM   1099 C  CA  . LYS B 1 66 ? 60.98100 32.92700 60.39100 1.000 22.81326 ? 64  LYS B CA  1 
ATOM   1100 C  C   . LYS B 1 66 ? 62.44200 33.31200 60.21000 1.000 25.60570 ? 64  LYS B C   1 
ATOM   1101 O  O   . LYS B 1 66 ? 63.25100 32.46700 59.81600 1.000 31.75381 ? 64  LYS B O   1 
ATOM   1102 C  CB  . LYS B 1 66 ? 60.26100 33.07500 59.03800 1.000 24.63453 ? 64  LYS B CB  1 
ATOM   1103 C  CG  . LYS B 1 66 ? 58.77000 32.73700 59.06800 1.000 32.24334 ? 64  LYS B CG  1 
ATOM   1104 C  CD  . LYS B 1 66 ? 58.08900 32.90900 57.69300 1.000 34.24095 ? 64  LYS B CD  1 
ATOM   1105 C  CE  . LYS B 1 66 ? 57.90900 34.38800 57.29500 1.000 36.06485 ? 64  LYS B CE  1 
ATOM   1106 N  NZ  . LYS B 1 66 ? 56.86600 34.66600 56.21000 1.000 30.42733 ? 64  LYS B NZ  1 
ATOM   1107 N  N   . LEU B 1 67 ? 62.80000 34.56100 60.48900 1.000 21.10779 ? 65  LEU B N   1 
ATOM   1108 C  CA  . LEU B 1 67 ? 64.14700 35.05500 60.26500 1.000 18.50485 ? 65  LEU B CA  1 
ATOM   1109 C  C   . LEU B 1 67 ? 64.80200 35.43600 61.58600 1.000 17.82319 ? 65  LEU B C   1 
ATOM   1110 O  O   . LEU B 1 67 ? 64.13400 35.85900 62.53100 1.000 18.52854 ? 65  LEU B O   1 
ATOM   1111 C  CB  . LEU B 1 67 ? 64.14000 36.27100 59.34300 1.000 15.73083 ? 65  LEU B CB  1 
ATOM   1112 C  CG  . LEU B 1 67 ? 63.61900 36.02400 57.91700 1.000 14.91231 ? 65  LEU B CG  1 
ATOM   1113 C  CD1 . LEU B 1 67 ? 63.63800 37.32800 57.13100 1.000 19.17862 ? 65  LEU B CD1 1 
ATOM   1114 C  CD2 . LEU B 1 67 ? 64.44400 34.95900 57.20000 1.000 19.27600 ? 65  LEU B CD2 1 
ATOM   1115 N  N   . SER B 1 68 ? 66.12700 35.30900 61.62800 1.000 17.88372 ? 66  SER B N   1 
ATOM   1116 C  CA  . SER B 1 68 ? 66.87700 35.73800 62.80300 1.000 19.23652 ? 66  SER B CA  1 
ATOM   1117 C  C   . SER B 1 68 ? 66.93800 37.26400 62.85600 1.000 17.73107 ? 66  SER B C   1 
ATOM   1118 O  O   . SER B 1 68 ? 66.70100 37.95700 61.86300 1.000 15.89664 ? 66  SER B O   1 
ATOM   1119 C  CB  . SER B 1 68 ? 68.29100 35.16100 62.78100 1.000 19.79448 ? 66  SER B CB  1 
ATOM   1120 O  OG  . SER B 1 68 ? 69.06300 35.75800 61.74900 1.000 19.50760 ? 66  SER B OG  1 
ATOM   1121 N  N   . ALA B 1 69 ? 67.29000 37.78800 64.03400 1.000 17.28365 ? 67  ALA B N   1 
ATOM   1122 C  CA  . ALA B 1 69 ? 67.50000 39.22700 64.15600 1.000 17.28892 ? 67  ALA B CA  1 
ATOM   1123 C  C   . ALA B 1 69 ? 68.58700 39.70400 63.19600 1.000 17.42051 ? 67  ALA B C   1 
ATOM   1124 O  O   . ALA B 1 69 ? 68.45300 40.76600 62.58500 1.000 17.10468 ? 67  ALA B O   1 
ATOM   1125 C  CB  . ALA B 1 69 ? 67.85700 39.59700 65.59700 1.000 17.38630 ? 67  ALA B CB  1 
ATOM   1126 N  N   . ASP B 1 70 ? 69.67000 38.93100 63.05700 1.000 17.68107 ? 68  ASP B N   1 
ATOM   1127 C  CA  . ASP B 1 70 ? 70.73100 39.28400 62.11000 1.000 16.41513 ? 68  ASP B CA  1 
ATOM   1128 C  C   . ASP B 1 70 ? 70.23200 39.28300 60.66600 1.000 16.63884 ? 68  ASP B C   1 
ATOM   1129 O  O   . ASP B 1 70 ? 70.63100 40.14600 59.87200 1.000 16.50724 ? 68  ASP B O   1 
ATOM   1130 C  CB  . ASP B 1 70 ? 71.91600 38.32300 62.23600 1.000 19.22862 ? 68  ASP B CB  1 
ATOM   1131 C  CG  . ASP B 1 70 ? 72.78000 38.59400 63.46100 1.000 21.54206 ? 68  ASP B CG  1 
ATOM   1132 O  OD1 . ASP B 1 70 ? 72.51600 39.56000 64.21400 1.000 22.00790 ? 68  ASP B OD1 1 
ATOM   1133 O  OD2 . ASP B 1 70 ? 73.74600 37.83000 63.65900 1.000 23.31069 ? 68  ASP B OD2 1 
ATOM   1134 N  N   . ASP B 1 71 ? 69.42100 38.28700 60.28700 1.000 15.72820 ? 69  ASP B N   1 
ATOM   1135 C  CA  . ASP B 1 71 ? 68.86500 38.26500 58.93200 1.000 17.15206 ? 69  ASP B CA  1 
ATOM   1136 C  C   . ASP B 1 71 ? 68.12200 39.55600 58.64900 1.000 14.18328 ? 69  ASP B C   1 
ATOM   1137 O  O   . ASP B 1 71 ? 68.21900 40.13400 57.55900 1.000 14.45173 ? 69  ASP B O   1 
ATOM   1138 C  CB  . ASP B 1 71 ? 67.86800 37.11600 58.74000 1.000 19.42865 ? 69  ASP B CB  1 
ATOM   1139 C  CG  . ASP B 1 71 ? 68.48600 35.75000 58.79600 1.000 21.86315 ? 69  ASP B CG  1 
ATOM   1140 O  OD1 . ASP B 1 71 ? 69.69600 35.61400 58.52700 1.000 22.95012 ? 69  ASP B OD1 1 
ATOM   1141 O  OD2 . ASP B 1 71 ? 67.71600 34.79700 59.11300 1.000 23.01329 ? 69  ASP B OD2 1 
ATOM   1142 N  N   . ILE B 1 72 ? 67.30800 39.98600 59.61100 1.000 14.16222 ? 70  ILE B N   1 
ATOM   1143 C  CA  . ILE B 1 72 ? 66.44400 41.12700 59.36100 1.000 13.89640 ? 70  ILE B CA  1 
ATOM   1144 C  C   . ILE B 1 72 ? 67.25800 42.41000 59.36800 1.000 16.29932 ? 70  ILE B C   1 
ATOM   1145 O  O   . ILE B 1 72 ? 67.05800 43.28700 58.52000 1.000 15.80189 ? 70  ILE B O   1 
ATOM   1146 C  CB  . ILE B 1 72 ? 65.29000 41.15300 60.37800 1.000 15.28604 ? 70  ILE B CB  1 
ATOM   1147 C  CG1 . ILE B 1 72 ? 64.35600 39.98000 60.08900 1.000 17.09152 ? 70  ILE B CG1 1 
ATOM   1148 C  CG2 . ILE B 1 72 ? 64.51600 42.46700 60.27300 1.000 15.95718 ? 70  ILE B CG2 1 
ATOM   1149 C  CD1 . ILE B 1 72 ? 63.17400 39.90800 61.05400 1.000 19.97608 ? 70  ILE B CD1 1 
ATOM   1150 N  N   . ALA B 1 73 ? 68.21400 42.52500 60.29500 1.000 15.63082 ? 71  ALA B N   1 
ATOM   1151 C  CA  . ALA B 1 73 ? 69.11400 43.67200 60.28300 1.000 15.45712 ? 71  ALA B CA  1 
ATOM   1152 C  C   . ALA B 1 73 ? 69.86200 43.76400 58.96200 1.000 15.79663 ? 71  ALA B C   1 
ATOM   1153 O  O   . ALA B 1 73 ? 70.00100 44.85200 58.39400 1.000 17.60474 ? 71  ALA B O   1 
ATOM   1154 C  CB  . ALA B 1 73 ? 70.10700 43.58300 61.44200 1.000 18.91016 ? 71  ALA B CB  1 
ATOM   1155 N  N   . ASP B 1 74 ? 70.34700 42.63100 58.45500 1.000 15.22814 ? 72  ASP B N   1 
ATOM   1156 C  CA  . ASP B 1 74 ? 71.12100 42.65600 57.21400 1.000 14.96758 ? 72  ASP B CA  1 
ATOM   1157 C  C   . ASP B 1 74 ? 70.24000 42.98500 56.01000 1.000 16.51251 ? 72  ASP B C   1 
ATOM   1158 O  O   . ASP B 1 74 ? 70.66500 43.72500 55.11800 1.000 15.47028 ? 72  ASP B O   1 
ATOM   1159 C  CB  . ASP B 1 74 ? 71.82400 41.31400 56.99800 1.000 15.04654 ? 72  ASP B CB  1 
ATOM   1160 C  CG  . ASP B 1 74 ? 72.97100 41.06400 57.98300 1.000 21.28676 ? 72  ASP B CG  1 
ATOM   1161 O  OD1 . ASP B 1 74 ? 73.38200 41.99000 58.71400 1.000 19.48918 ? 72  ASP B OD1 1 
ATOM   1162 O  OD2 . ASP B 1 74 ? 73.46700 39.92300 58.00900 1.000 22.52375 ? 72  ASP B OD2 1 
ATOM   1163 N  N   . VAL B 1 75 ? 69.02400 42.43400 55.94800 1.000 13.82797 ? 73  VAL B N   1 
ATOM   1164 C  CA  . VAL B 1 75 ? 68.17800 42.74500 54.79700 1.000 15.80453 ? 73  VAL B CA  1 
ATOM   1165 C  C   . VAL B 1 75 ? 67.74500 44.20800 54.84700 1.000 16.26511 ? 73  VAL B C   1 
ATOM   1166 O  O   . VAL B 1 75 ? 67.61200 44.85600 53.80400 1.000 14.98338 ? 73  VAL B O   1 
ATOM   1167 C  CB  . VAL B 1 75 ? 66.97800 41.77800 54.68400 1.000 12.67257 ? 73  VAL B CB  1 
ATOM   1168 C  CG1 . VAL B 1 75 ? 65.86500 42.12900 55.65100 1.000 12.65415 ? 73  VAL B CG1 1 
ATOM   1169 C  CG2 . VAL B 1 75 ? 66.43900 41.76600 53.23000 1.000 13.34371 ? 73  VAL B CG2 1 
ATOM   1170 N  N   . ALA B 1 76 ? 67.58800 44.77400 56.04900 1.000 16.14667 ? 74  ALA B N   1 
ATOM   1171 C  CA  . ALA B 1 76 ? 67.28300 46.19700 56.14600 1.000 14.09116 ? 74  ALA B CA  1 
ATOM   1172 C  C   . ALA B 1 76 ? 68.43600 47.03900 55.61600 1.000 16.84676 ? 74  ALA B C   1 
ATOM   1173 O  O   . ALA B 1 76 ? 68.21400 48.00700 54.87800 1.000 18.61276 ? 74  ALA B O   1 
ATOM   1174 C  CB  . ALA B 1 76 ? 66.96100 46.57800 57.59800 1.000 16.60989 ? 74  ALA B CB  1 
ATOM   1175 N  N   . SER B 1 77 ? 69.67300 46.67200 55.96600 1.000 17.37314 ? 75  SER B N   1 
ATOM   1176 C  CA  . SER B 1 77 ? 70.84000 47.38300 55.44400 1.000 17.27576 ? 75  SER B CA  1 
ATOM   1177 C  C   . SER B 1 77 ? 70.92300 47.25300 53.93200 1.000 16.62831 ? 75  SER B C   1 
ATOM   1178 O  O   . SER B 1 77 ? 71.28600 48.21000 53.23900 1.000 19.25494 ? 75  SER B O   1 
ATOM   1179 C  CB  . SER B 1 77 ? 72.11900 46.84200 56.07900 1.000 21.31835 ? 75  SER B CB  1 
ATOM   1180 O  OG  . SER B 1 77 ? 72.13300 47.04700 57.48000 1.000 26.01628 ? 75  SER B OG  1 
ATOM   1181 N  N   . TYR B 1 78 ? 70.60000 46.07200 53.40600 1.000 14.99390 ? 76  TYR B N   1 
ATOM   1182 C  CA  . TYR B 1 78 ? 70.62300 45.86300 51.96000 1.000 15.56239 ? 76  TYR B CA  1 
ATOM   1183 C  C   . TYR B 1 78 ? 69.60600 46.75700 51.25800 1.000 16.43092 ? 76  TYR B C   1 
ATOM   1184 O  O   . TYR B 1 78 ? 69.91500 47.38900 50.24000 1.000 19.52866 ? 76  TYR B O   1 
ATOM   1185 C  CB  . TYR B 1 78 ? 70.36400 44.38600 51.64500 1.000 13.70164 ? 76  TYR B CB  1 
ATOM   1186 C  CG  . TYR B 1 78 ? 70.31800 44.07700 50.16100 1.000 16.62568 ? 76  TYR B CG  1 
ATOM   1187 C  CD1 . TYR B 1 78 ? 71.49200 43.91200 49.43500 1.000 19.18651 ? 76  TYR B CD1 1 
ATOM   1188 C  CD2 . TYR B 1 78 ? 69.10800 43.96800 49.49200 1.000 15.12023 ? 76  TYR B CD2 1 
ATOM   1189 C  CE1 . TYR B 1 78 ? 71.45400 43.63400 48.07000 1.000 19.57866 ? 76  TYR B CE1 1 
ATOM   1190 C  CE2 . TYR B 1 78 ? 69.05300 43.69000 48.12500 1.000 14.08853 ? 76  TYR B CE2 1 
ATOM   1191 C  CZ  . TYR B 1 78 ? 70.22900 43.53200 47.42300 1.000 16.68621 ? 76  TYR B CZ  1 
ATOM   1192 O  OH  . TYR B 1 78 ? 70.17200 43.24700 46.07300 1.000 18.83910 ? 76  TYR B OH  1 
ATOM   1193 N  N   . VAL B 1 79 ? 68.38000 46.82400 51.78900 1.000 16.13088 ? 77  VAL B N   1 
ATOM   1194 C  CA  . VAL B 1 79 ? 67.33900 47.64800 51.17200 1.000 15.37553 ? 77  VAL B CA  1 
ATOM   1195 C  C   . VAL B 1 79 ? 67.75000 49.11700 51.16700 1.000 16.62041 ? 77  VAL B C   1 
ATOM   1196 O  O   . VAL B 1 79 ? 67.63100 49.81600 50.14700 1.000 18.77857 ? 77  VAL B O   1 
ATOM   1197 C  CB  . VAL B 1 79 ? 65.98900 47.44900 51.88500 1.000 16.82044 ? 77  VAL B CB  1 
ATOM   1198 C  CG1 . VAL B 1 79 ? 65.02800 48.57100 51.50500 1.000 15.20445 ? 77  VAL B CG1 1 
ATOM   1199 C  CG2 . VAL B 1 79 ? 65.39600 46.09700 51.53300 1.000 14.68597 ? 77  VAL B CG2 1 
ATOM   1200 N  N   . LEU B 1 80 ? 68.23600 49.61100 52.30500 1.000 16.82570 ? 78  LEU B N   1 
ATOM   1201 C  CA  . LEU B 1 80 ? 68.65500 51.00500 52.35900 1.000 19.54445 ? 78  LEU B CA  1 
ATOM   1202 C  C   . LEU B 1 80 ? 69.79800 51.26800 51.38900 1.000 24.21606 ? 78  LEU B C   1 
ATOM   1203 O  O   . LEU B 1 80 ? 69.80400 52.29300 50.70000 1.000 24.66875 ? 78  LEU B O   1 
ATOM   1204 C  CB  . LEU B 1 80 ? 69.06000 51.39800 53.77600 1.000 21.44468 ? 78  LEU B CB  1 
ATOM   1205 C  CG  . LEU B 1 80 ? 67.95500 51.71900 54.77300 1.000 24.59242 ? 78  LEU B CG  1 
ATOM   1206 C  CD1 . LEU B 1 80 ? 68.58600 52.28000 56.05700 1.000 23.20541 ? 78  LEU B CD1 1 
ATOM   1207 C  CD2 . LEU B 1 80 ? 66.95700 52.70800 54.19300 1.000 25.67676 ? 78  LEU B CD2 1 
ATOM   1208 N  N   . ASP B 1 81 ? 70.76600 50.34500 51.31000 1.000 20.38665 ? 79  ASP B N   1 
ATOM   1209 C  CA  . ASP B 1 81 ? 71.90800 50.53600 50.41700 1.000 21.54732 ? 79  ASP B CA  1 
ATOM   1210 C  C   . ASP B 1 81 ? 71.47600 50.53400 48.95700 1.000 24.93983 ? 79  ASP B C   1 
ATOM   1211 O  O   . ASP B 1 81 ? 71.91500 51.38300 48.17100 1.000 23.73179 ? 79  ASP B O   1 
ATOM   1212 C  CB  . ASP B 1 81 ? 72.96400 49.45800 50.67500 1.000 22.37637 ? 79  ASP B CB  1 
ATOM   1213 C  CG  . ASP B 1 81 ? 74.22500 49.65700 49.84300 1.000 27.06114 ? 79  ASP B CG  1 
ATOM   1214 O  OD1 . ASP B 1 81 ? 74.94300 50.65900 50.05100 1.000 32.53548 ? 79  ASP B OD1 1 
ATOM   1215 O  OD2 . ASP B 1 81 ? 74.50600 48.79700 48.99000 1.000 27.76912 ? 79  ASP B OD2 1 
ATOM   1216 N  N   . GLN B 1 82 ? 70.61500 49.59400 48.57100 1.000 18.08112 ? 80  GLN B N   1 
ATOM   1217 C  CA  . GLN B 1 82 ? 70.12600 49.58700 47.19500 1.000 20.16294 ? 80  GLN B CA  1 
ATOM   1218 C  C   . GLN B 1 82 ? 69.31500 50.83900 46.88700 1.000 22.75010 ? 80  GLN B C   1 
ATOM   1219 O  O   . GLN B 1 82 ? 69.41900 51.39600 45.78700 1.000 24.29239 ? 80  GLN B O   1 
ATOM   1220 C  CB  . GLN B 1 82 ? 69.29700 48.33000 46.94200 1.000 19.06544 ? 80  GLN B CB  1 
ATOM   1221 C  CG  . GLN B 1 82 ? 70.12300 47.05900 46.90400 1.000 17.40209 ? 80  GLN B CG  1 
ATOM   1222 C  CD  . GLN B 1 82 ? 71.17700 47.10200 45.80900 1.000 26.16366 ? 80  GLN B CD  1 
ATOM   1223 O  OE1 . GLN B 1 82 ? 70.86100 47.36400 44.64300 1.000 28.98769 ? 80  GLN B OE1 1 
ATOM   1224 N  NE2 . GLN B 1 82 ? 72.43400 46.86400 46.17900 1.000 24.70559 ? 80  GLN B NE2 1 
ATOM   1225 N  N   . SER B 1 83 ? 68.49300 51.29600 47.83700 1.000 21.69997 ? 81  SER B N   1 
ATOM   1226 C  CA  . SER B 1 83 ? 67.68200 52.48300 47.58400 1.000 23.32122 ? 81  SER B CA  1 
ATOM   1227 C  C   . SER B 1 83 ? 68.56200 53.69800 47.32100 1.000 27.92440 ? 81  SER B C   1 
ATOM   1228 O  O   . SER B 1 83 ? 68.26500 54.50600 46.43200 1.000 29.32983 ? 81  SER B O   1 
ATOM   1229 C  CB  . SER B 1 83 ? 66.72800 52.74300 48.75300 1.000 24.18448 ? 81  SER B CB  1 
ATOM   1230 O  OG  . SER B 1 83 ? 67.37800 53.41400 49.81900 1.000 31.25112 ? 81  SER B OG  1 
ATOM   1231 N  N   . GLU B 1 84 ? 69.67000 53.82600 48.05600 1.000 26.64267 ? 82  GLU B N   1 
ATOM   1232 C  CA  . GLU B 1 84 ? 70.58400 54.94000 47.82300 1.000 30.04044 ? 82  GLU B CA  1 
ATOM   1233 C  C   . GLU B 1 84 ? 71.30700 54.79400 46.49300 1.000 31.67485 ? 82  GLU B C   1 
ATOM   1234 O  O   . GLU B 1 84 ? 71.57100 55.79700 45.82100 1.000 36.54912 ? 82  GLU B O   1 
ATOM   1235 C  CB  . GLU B 1 84 ? 71.60200 55.05700 48.96500 1.000 33.61192 ? 82  GLU B CB  1 
ATOM   1236 C  CG  . GLU B 1 84 ? 71.00600 55.33100 50.34600 1.000 37.34395 ? 82  GLU B CG  1 
ATOM   1237 C  CD  . GLU B 1 84 ? 70.66200 56.79500 50.58900 1.000 42.20243 ? 82  GLU B CD  1 
ATOM   1238 O  OE1 . GLU B 1 84 ? 70.21400 57.48600 49.64400 1.000 43.41047 ? 82  GLU B OE1 1 
ATOM   1239 O  OE2 . GLU B 1 84 ? 70.84800 57.25900 51.73800 1.000 49.67701 ? 82  GLU B OE2 1 
ATOM   1240 N  N   . LYS B 1 85 ? 71.63300 53.56400 46.09600 1.000 28.16654 ? 83  LYS B N   1 
ATOM   1241 C  CA  . LYS B 1 85 ? 72.26500 53.33100 44.80400 1.000 28.94558 ? 83  LYS B CA  1 
ATOM   1242 C  C   . LYS B 1 85 ? 71.27700 53.38500 43.64900 1.000 31.46430 ? 83  LYS B C   1 
ATOM   1243 O  O   . LYS B 1 85 ? 71.70800 53.44800 42.49200 1.000 35.47794 ? 83  LYS B O   1 
ATOM   1244 C  CB  . LYS B 1 85 ? 72.98800 51.97900 44.80100 1.000 25.88468 ? 83  LYS B CB  1 
ATOM   1245 C  CG  . LYS B 1 85 ? 74.15700 51.92700 45.77200 1.000 29.44037 ? 83  LYS B CG  1 
ATOM   1246 C  CD  . LYS B 1 85 ? 74.73200 50.52300 45.90400 1.000 32.75919 ? 83  LYS B CD  1 
ATOM   1247 C  CE  . LYS B 1 85 ? 75.98600 50.53100 46.77100 1.000 35.82008 ? 83  LYS B CE  1 
ATOM   1248 N  NZ  . LYS B 1 85 ? 76.49100 49.15300 47.03100 1.000 39.82320 ? 83  LYS B NZ  1 
ATOM   1249 N  N   . GLY B 1 86 ? 69.97700 53.36700 43.93400 1.000 28.07179 ? 84  GLY B N   1 
ATOM   1250 C  CA  . GLY B 1 86 ? 68.96300 53.44600 42.89700 1.000 29.28246 ? 84  GLY B CA  1 
ATOM   1251 C  C   . GLY B 1 86 ? 68.53400 52.12800 42.29700 1.000 30.53787 ? 84  GLY B C   1 
ATOM   1252 O  O   . GLY B 1 86 ? 68.02000 52.12100 41.17000 1.000 32.85394 ? 84  GLY B O   1 
ATOM   1253 N  N   . TRP B 1 87 ? 68.71400 51.01800 43.01600 1.000 26.36106 ? 85  TRP B N   1 
ATOM   1254 C  CA  . TRP B 1 87 ? 68.37900 49.67900 42.53300 1.000 22.92643 ? 85  TRP B CA  1 
ATOM   1255 C  C   . TRP B 1 87 ? 68.95900 49.46000 41.13900 1.000 33.19872 ? 85  TRP B C   1 
ATOM   1256 O  O   . TRP B 1 87 ? 68.28900 49.00500 40.21000 1.000 32.40389 ? 85  TRP B O   1 
ATOM   1257 C  CB  . TRP B 1 87 ? 66.86200 49.44000 42.57400 1.000 21.07358 ? 85  TRP B CB  1 
ATOM   1258 C  CG  . TRP B 1 87 ? 66.34700 49.40400 44.00600 1.000 20.23137 ? 85  TRP B CG  1 
ATOM   1259 C  CD1 . TRP B 1 87 ? 65.82400 50.44400 44.71800 1.000 22.27109 ? 85  TRP B CD1 1 
ATOM   1260 C  CD2 . TRP B 1 87 ? 66.35200 48.27600 44.89000 1.000 17.66001 ? 85  TRP B CD2 1 
ATOM   1261 N  NE1 . TRP B 1 87 ? 65.49900 50.03100 45.99600 1.000 19.30758 ? 85  TRP B NE1 1 
ATOM   1262 C  CE2 . TRP B 1 87 ? 65.81200 48.70400 46.12000 1.000 18.42063 ? 85  TRP B CE2 1 
ATOM   1263 C  CE3 . TRP B 1 87 ? 66.75500 46.94400 44.75600 1.000 17.71265 ? 85  TRP B CE3 1 
ATOM   1264 C  CZ2 . TRP B 1 87 ? 65.66500 47.84600 47.21300 1.000 14.66228 ? 85  TRP B CZ2 1 
ATOM   1265 C  CZ3 . TRP B 1 87 ? 66.62100 46.09500 45.84700 1.000 15.82295 ? 85  TRP B CZ3 1 
ATOM   1266 C  CH2 . TRP B 1 87 ? 66.07200 46.54800 47.05000 1.000 15.33605 ? 85  TRP B CH2 1 
ATOM   1267 N  N   . GLN B 1 88 ? 70.23900 49.81100 41.01100 1.000 36.87021 ? 86  GLN B N   1 
ATOM   1268 C  CA  . GLN B 1 88 ? 70.96100 49.74900 39.74100 1.000 42.49720 ? 86  GLN B CA  1 
ATOM   1269 C  C   . GLN B 1 88 ? 71.52800 48.34300 39.54600 1.000 45.67390 ? 86  GLN B C   1 
ATOM   1270 O  O   . GLN B 1 88 ? 72.73000 48.09300 39.66100 1.000 52.58525 ? 86  GLN B O   1 
ATOM   1271 C  CB  . GLN B 1 88 ? 72.05800 50.80700 39.70200 1.000 38.35723 ? 86  GLN B CB  1 
ATOM   1272 C  CG  . GLN B 1 88 ? 71.64300 52.13100 39.06700 1.000 42.28665 ? 86  GLN B CG  1 
ATOM   1273 C  CD  . GLN B 1 88 ? 71.48200 52.02700 37.55600 1.000 51.45354 ? 86  GLN B CD  1 
ATOM   1274 O  OE1 . GLN B 1 88 ? 71.73300 50.97500 36.95800 1.000 58.65966 ? 86  GLN B OE1 1 
ATOM   1275 N  NE2 . GLN B 1 88 ? 71.06200 53.12200 36.93000 1.000 54.89869 ? 86  GLN B NE2 1 
ATOM   1276 N  N   . GLY B 1 89 ? 70.62400 47.41700 39.24200 1.000 44.57640 ? 87  GLY B N   1 
ATOM   1277 C  CA  . GLY B 1 89 ? 71.01000 46.04600 38.96100 1.000 47.57676 ? 87  GLY B CA  1 
ATOM   1278 C  C   . GLY B 1 89 ? 71.61200 45.31700 40.14700 1.000 46.13448 ? 87  GLY B C   1 
ATOM   1279 O  O   . GLY B 1 89 ? 72.83300 45.24600 40.30400 1.000 56.59100 ? 87  GLY B O   1 
ATOM   1280 O  OXT . GLY B 1 89 ? 70.89700 44.76700 40.98500 1.000 54.73814 ? 87  GLY B OXT 1 
ATOM   1281 N  N   . GLY C 1 1  ? 24.83800 30.76600 53.26900 1.000 49.69543 ? -1  GLY C N   1 
ATOM   1282 C  CA  . GLY C 1 1  ? 23.93600 31.16800 52.20400 1.000 45.37913 ? -1  GLY C CA  1 
ATOM   1283 C  C   . GLY C 1 1  ? 24.25300 32.54200 51.64600 1.000 44.28952 ? -1  GLY C C   1 
ATOM   1284 O  O   . GLY C 1 1  ? 25.41800 32.88700 51.46800 1.000 41.59183 ? -1  GLY C O   1 
ATOM   1285 N  N   . SER C 1 2  ? 23.21400 33.33900 51.39000 1.000 45.02119 ? 0   SER C N   1 
ATOM   1286 C  CA  . SER C 1 2  ? 23.42300 34.62900 50.73800 1.000 44.12634 ? 0   SER C CA  1 
ATOM   1287 C  C   . SER C 1 2  ? 24.15900 35.59800 51.65500 1.000 40.69962 ? 0   SER C C   1 
ATOM   1288 O  O   . SER C 1 2  ? 25.10000 36.27600 51.22600 1.000 37.83348 ? 0   SER C O   1 
ATOM   1289 C  CB  . SER C 1 2  ? 22.08500 35.21700 50.28500 1.000 34.91208 ? 0   SER C CB  1 
ATOM   1290 O  OG  . SER C 1 2  ? 21.31500 35.65700 51.39300 1.000 43.88421 ? 0   SER C OG  1 
ATOM   1291 N  N   . ALA C 1 3  ? 23.74800 35.67800 52.92500 1.000 40.40748 ? 1   ALA C N   1 
ATOM   1292 C  CA  . ALA C 1 3  ? 24.43500 36.56400 53.86100 1.000 38.06246 ? 1   ALA C CA  1 
ATOM   1293 C  C   . ALA C 1 3  ? 25.92000 36.20800 53.97000 1.000 36.33067 ? 1   ALA C C   1 
ATOM   1294 O  O   . ALA C 1 3  ? 26.78800 37.08400 53.86700 1.000 31.77223 ? 1   ALA C O   1 
ATOM   1295 C  CB  . ALA C 1 3  ? 23.75100 36.51200 55.22900 1.000 37.71505 ? 1   ALA C CB  1 
ATOM   1296 N  N   . ASP C 1 4  ? 26.23100 34.91800 54.14900 1.000 37.63083 ? 2   ASP C N   1 
ATOM   1297 C  CA  . ASP C 1 4  ? 27.62400 34.50700 54.31600 1.000 33.90933 ? 2   ASP C CA  1 
ATOM   1298 C  C   . ASP C 1 4  ? 28.45300 34.82100 53.07500 1.000 30.75106 ? 2   ASP C C   1 
ATOM   1299 O  O   . ASP C 1 4  ? 29.58100 35.30800 53.18400 1.000 29.42721 ? 2   ASP C O   1 
ATOM   1300 C  CB  . ASP C 1 4  ? 27.71000 33.01600 54.64600 1.000 34.97788 ? 2   ASP C CB  1 
ATOM   1301 C  CG  . ASP C 1 4  ? 27.27100 32.70400 56.06600 1.000 44.20530 ? 2   ASP C CG  1 
ATOM   1302 O  OD1 . ASP C 1 4  ? 27.00000 33.65000 56.83600 1.000 42.04451 ? 2   ASP C OD1 1 
ATOM   1303 O  OD2 . ASP C 1 4  ? 27.20300 31.50700 56.41600 1.000 54.88026 ? 2   ASP C OD2 1 
ATOM   1304 N  N   . LEU C 1 5  ? 27.91600 34.53400 51.88400 1.000 30.23257 ? 3   LEU C N   1 
ATOM   1305 C  CA  . LEU C 1 5  ? 28.66500 34.78900 50.65600 1.000 31.93014 ? 3   LEU C CA  1 
ATOM   1306 C  C   . LEU C 1 5  ? 28.83400 36.28300 50.40300 1.000 32.86710 ? 3   LEU C C   1 
ATOM   1307 O  O   . LEU C 1 5  ? 29.87700 36.71900 49.90000 1.000 28.43762 ? 3   LEU C O   1 
ATOM   1308 C  CB  . LEU C 1 5  ? 27.97300 34.12600 49.46100 1.000 32.15122 ? 3   LEU C CB  1 
ATOM   1309 C  CG  . LEU C 1 5  ? 28.03600 32.59800 49.33900 1.000 34.84628 ? 3   LEU C CG  1 
ATOM   1310 C  CD1 . LEU C 1 5  ? 27.23800 32.12000 48.12900 1.000 34.79365 ? 3   LEU C CD1 1 
ATOM   1311 C  CD2 . LEU C 1 5  ? 29.47200 32.10400 49.24400 1.000 33.05396 ? 3   LEU C CD2 1 
ATOM   1312 N  N   . ALA C 1 6  ? 27.81100 37.08000 50.72300 1.000 32.26703 ? 4   ALA C N   1 
ATOM   1313 C  CA  . ALA C 1 6  ? 27.90900 38.52800 50.56000 1.000 31.26954 ? 4   ALA C CA  1 
ATOM   1314 C  C   . ALA C 1 6  ? 28.98000 39.10500 51.47200 1.000 28.79556 ? 4   ALA C C   1 
ATOM   1315 O  O   . ALA C 1 6  ? 29.80400 39.92600 51.04900 1.000 28.34024 ? 4   ALA C O   1 
ATOM   1316 C  CB  . ALA C 1 6  ? 26.55500 39.18400 50.85200 1.000 31.82750 ? 4   ALA C CB  1 
ATOM   1317 N  N   . HIS C 1 7  ? 28.97800 38.69700 52.73800 1.000 28.78240 ? 5   HIS C N   1 
ATOM   1318 C  CA  . HIS C 1 7  ? 30.04700 39.13200 53.62000 1.000 28.44288 ? 5   HIS C CA  1 
ATOM   1319 C  C   . HIS C 1 7  ? 31.38200 38.55900 53.16700 1.000 26.21104 ? 5   HIS C C   1 
ATOM   1320 O  O   . HIS C 1 7  ? 32.41800 39.22700 53.26200 1.000 27.50330 ? 5   HIS C O   1 
ATOM   1321 C  CB  . HIS C 1 7  ? 29.75500 38.72900 55.06000 1.000 25.61360 ? 5   HIS C CB  1 
ATOM   1322 C  CG  . HIS C 1 7  ? 30.76100 39.25800 56.02700 1.000 27.77175 ? 5   HIS C CG  1 
ATOM   1323 N  ND1 . HIS C 1 7  ? 31.05900 40.60000 56.11900 1.000 29.95886 ? 5   HIS C ND1 1 
ATOM   1324 C  CD2 . HIS C 1 7  ? 31.56300 38.62900 56.91600 1.000 31.69854 ? 5   HIS C CD2 1 
ATOM   1325 C  CE1 . HIS C 1 7  ? 31.99400 40.77500 57.03600 1.000 37.17288 ? 5   HIS C CE1 1 
ATOM   1326 N  NE2 . HIS C 1 7  ? 32.31900 39.59500 57.53200 1.000 35.79903 ? 5   HIS C NE2 1 
ATOM   1327 N  N   . GLY C 1 8  ? 31.37400 37.32700 52.66100 1.000 25.90837 ? 6   GLY C N   1 
ATOM   1328 C  CA  . GLY C 1 8  ? 32.61300 36.73300 52.18600 1.000 21.29203 ? 6   GLY C CA  1 
ATOM   1329 C  C   . GLY C 1 8  ? 33.22000 37.52000 51.04100 1.000 20.37086 ? 6   GLY C C   1 
ATOM   1330 O  O   . GLY C 1 8  ? 34.44300 37.62300 50.92300 1.000 22.55797 ? 6   GLY C O   1 
ATOM   1331 N  N   . GLY C 1 9  ? 32.37000 38.09300 50.18600 1.000 22.12897 ? 7   GLY C N   1 
ATOM   1332 C  CA  . GLY C 1 9  ? 32.86300 38.91800 49.09700 1.000 24.09499 ? 7   GLY C CA  1 
ATOM   1333 C  C   . GLY C 1 9  ? 33.41400 40.24400 49.57000 1.000 20.98146 ? 7   GLY C C   1 
ATOM   1334 O  O   . GLY C 1 9  ? 34.37100 40.76100 48.98800 1.000 23.55809 ? 7   GLY C O   1 
ATOM   1335 N  N   . GLN C 1 10 ? 32.83300 40.81000 50.62900 1.000 22.73694 ? 8   GLN C N   1 
ATOM   1336 C  CA  . GLN C 1 10 ? 33.39900 42.03100 51.19500 1.000 25.70045 ? 8   GLN C CA  1 
ATOM   1337 C  C   . GLN C 1 10 ? 34.73400 41.76100 51.87400 1.000 23.95024 ? 8   GLN C C   1 
ATOM   1338 O  O   . GLN C 1 10 ? 35.67000 42.56300 51.75500 1.000 23.05803 ? 8   GLN C O   1 
ATOM   1339 C  CB  . GLN C 1 10 ? 32.40800 42.67600 52.17400 1.000 31.33797 ? 8   GLN C CB  1 
ATOM   1340 C  CG  . GLN C 1 10 ? 31.07400 43.12000 51.53300 1.000 36.23066 ? 8   GLN C CG  1 
ATOM   1341 C  CD  . GLN C 1 10 ? 31.19700 44.26300 50.49900 1.000 44.60535 ? 8   GLN C CD  1 
ATOM   1342 O  OE1 . GLN C 1 10 ? 32.22900 44.43900 49.83600 1.000 46.42136 ? 8   GLN C OE1 1 
ATOM   1343 N  NE2 . GLN C 1 10 ? 30.12200 45.03400 50.35500 1.000 43.76314 ? 8   GLN C NE2 1 
ATOM   1344 N  N   . VAL C 1 11 ? 34.84400 40.64700 52.60200 1.000 20.47351 ? 9   VAL C N   1 
ATOM   1345 C  CA  . VAL C 1 11 ? 36.13400 40.27900 53.17800 1.000 21.00778 ? 9   VAL C CA  1 
ATOM   1346 C  C   . VAL C 1 11 ? 37.15900 40.05900 52.07500 1.000 17.54947 ? 9   VAL C C   1 
ATOM   1347 O  O   . VAL C 1 11 ? 38.32200 40.46700 52.19200 1.000 17.25996 ? 9   VAL C O   1 
ATOM   1348 C  CB  . VAL C 1 11 ? 35.99000 39.03500 54.07200 1.000 19.04176 ? 9   VAL C CB  1 
ATOM   1349 C  CG1 . VAL C 1 11 ? 37.33800 38.64000 54.65200 1.000 18.24429 ? 9   VAL C CG1 1 
ATOM   1350 C  CG2 . VAL C 1 11 ? 34.99900 39.30000 55.18700 1.000 21.98948 ? 9   VAL C CG2 1 
ATOM   1351 N  N   . PHE C 1 12 ? 36.74200 39.43200 50.97700 1.000 17.22049 ? 10  PHE C N   1 
ATOM   1352 C  CA  . PHE C 1 12 ? 37.67700 39.15900 49.89200 1.000 18.91806 ? 10  PHE C CA  1 
ATOM   1353 C  C   . PHE C 1 12 ? 38.16800 40.45400 49.25000 1.000 18.41273 ? 10  PHE C C   1 
ATOM   1354 O  O   . PHE C 1 12 ? 39.36500 40.61200 48.98700 1.000 17.38103 ? 10  PHE C O   1 
ATOM   1355 C  CB  . PHE C 1 12 ? 37.02300 38.24900 48.84800 1.000 18.33378 ? 10  PHE C CB  1 
ATOM   1356 C  CG  . PHE C 1 12 ? 37.96700 37.81300 47.75700 1.000 18.05216 ? 10  PHE C CG  1 
ATOM   1357 C  CD1 . PHE C 1 12 ? 38.14100 38.58600 46.62100 1.000 18.69171 ? 10  PHE C CD1 1 
ATOM   1358 C  CD2 . PHE C 1 12 ? 38.69900 36.63600 47.88000 1.000 16.13615 ? 10  PHE C CD2 1 
ATOM   1359 C  CE1 . PHE C 1 12 ? 39.02000 38.19400 45.62600 1.000 17.53631 ? 10  PHE C CE1 1 
ATOM   1360 C  CE2 . PHE C 1 12 ? 39.59200 36.23400 46.88000 1.000 17.91004 ? 10  PHE C CE2 1 
ATOM   1361 C  CZ  . PHE C 1 12 ? 39.74100 37.01400 45.75200 1.000 16.67568 ? 10  PHE C CZ  1 
ATOM   1362 N  N   . SER C 1 13 ? 37.25600 41.39500 48.99000 1.000 19.87607 ? 11  SER C N   1 
ATOM   1363 C  CA  A SER C 1 13 ? 37.66100 42.67200 48.41100 0.500 22.67903 ? 11  SER C CA  1 
ATOM   1364 C  CA  B SER C 1 13 ? 37.66600 42.66800 48.40800 0.500 22.43690 ? 11  SER C CA  1 
ATOM   1365 C  C   . SER C 1 13 ? 38.63000 43.41700 49.32000 1.000 22.57639 ? 11  SER C C   1 
ATOM   1366 O  O   . SER C 1 13 ? 39.61300 43.99600 48.85200 1.000 23.52914 ? 11  SER C O   1 
ATOM   1367 C  CB  A SER C 1 13 ? 36.43100 43.53500 48.13300 0.500 26.23472 ? 11  SER C CB  1 
ATOM   1368 C  CB  B SER C 1 13 ? 36.43400 43.52200 48.11000 0.500 26.49528 ? 11  SER C CB  1 
ATOM   1369 O  OG  A SER C 1 13 ? 36.81800 44.80600 47.63900 0.500 26.42948 ? 11  SER C OG  1 
ATOM   1370 O  OG  B SER C 1 13 ? 35.68200 42.95400 47.05700 0.500 25.37409 ? 11  SER C OG  1 
ATOM   1371 N  N   . ALA C 1 14 ? 38.36300 43.42000 50.62800 1.000 19.42338 ? 12  ALA C N   1 
ATOM   1372 C  CA  . ALA C 1 14 ? 39.17500 44.18800 51.56600 1.000 22.75799 ? 12  ALA C CA  1 
ATOM   1373 C  C   . ALA C 1 14 ? 40.51600 43.54200 51.87900 1.000 19.55761 ? 12  ALA C C   1 
ATOM   1374 O  O   . ALA C 1 14 ? 41.45200 44.24400 52.27400 1.000 25.25303 ? 12  ALA C O   1 
ATOM   1375 C  CB  . ALA C 1 14 ? 38.40600 44.39400 52.87500 1.000 24.75034 ? 12  ALA C CB  1 
ATOM   1376 N  N   . ASN C 1 15 ? 40.64000 42.22400 51.72800 1.000 19.38653 ? 13  ASN C N   1 
ATOM   1377 C  CA  . ASN C 1 15 ? 41.79900 41.51200 52.25000 1.000 18.20218 ? 13  ASN C CA  1 
ATOM   1378 C  C   . ASN C 1 15 ? 42.51100 40.63200 51.25200 1.000 14.66755 ? 13  ASN C C   1 
ATOM   1379 O  O   . ASN C 1 15 ? 43.65300 40.26300 51.51700 1.000 15.20445 ? 13  ASN C O   1 
ATOM   1380 C  CB  . ASN C 1 15 ? 41.40500 40.61900 53.43200 1.000 17.31523 ? 13  ASN C CB  1 
ATOM   1381 C  CG  . ASN C 1 15 ? 40.88700 41.41100 54.59700 1.000 19.24441 ? 13  ASN C CG  1 
ATOM   1382 O  OD1 . ASN C 1 15 ? 41.67100 41.96600 55.35800 1.000 21.10516 ? 13  ASN C OD1 1 
ATOM   1383 N  ND2 . ASN C 1 15 ? 39.57000 41.47900 54.73800 1.000 20.35770 ? 13  ASN C ND2 1 
ATOM   1384 N  N   . CYS C 1 16 ? 41.88300 40.25300 50.14900 1.000 15.23077 ? 14  CYS C N   1 
ATOM   1385 C  CA  . CYS C 1 16 ? 42.46600 39.25300 49.26100 1.000 13.09104 ? 14  CYS C CA  1 
ATOM   1386 C  C   . CYS C 1 16 ? 42.65300 39.74600 47.83900 1.000 16.05456 ? 14  CYS C C   1 
ATOM   1387 O  O   . CYS C 1 16 ? 43.56300 39.27700 47.14900 1.000 16.25721 ? 14  CYS C O   1 
ATOM   1388 C  CB  . CYS C 1 16 ? 41.58500 37.98900 49.21300 1.000 14.07011 ? 14  CYS C CB  1 
ATOM   1389 S  SG  . CYS C 1 16 ? 40.92600 37.44600 50.83800 1.000 14.00168 ? 14  CYS C SG  1 
ATOM   1390 N  N   . ALA C 1 17 ? 41.82400 40.68400 47.38900 1.000 14.28856 ? 15  ALA C N   1 
ATOM   1391 C  CA  . ALA C 1 17 ? 41.86400 41.08900 45.98300 1.000 14.48858 ? 15  ALA C CA  1 
ATOM   1392 C  C   . ALA C 1 17 ? 43.16500 41.78100 45.61500 1.000 14.70439 ? 15  ALA C C   1 
ATOM   1393 O  O   . ALA C 1 17 ? 43.51000 41.82500 44.42400 1.000 15.28604 ? 15  ALA C O   1 
ATOM   1394 C  CB  . ALA C 1 17 ? 40.68100 42.01100 45.67800 1.000 18.32062 ? 15  ALA C CB  1 
ATOM   1395 N  N   . ALA C 1 18 ? 43.88300 42.32200 46.60500 1.000 15.63609 ? 16  ALA C N   1 
ATOM   1396 C  CA  . ALA C 1 18 ? 45.19300 42.91800 46.34600 1.000 16.07824 ? 16  ALA C CA  1 
ATOM   1397 C  C   . ALA C 1 18 ? 46.11300 41.94300 45.62500 1.000 18.99175 ? 16  ALA C C   1 
ATOM   1398 O  O   . ALA C 1 18 ? 46.90500 42.34500 44.76300 1.000 21.94474 ? 16  ALA C O   1 
ATOM   1399 C  CB  . ALA C 1 18 ? 45.82900 43.38600 47.66100 1.000 18.14954 ? 16  ALA C CB  1 
ATOM   1400 N  N   . CYS C 1 19 ? 46.01100 40.65200 45.94700 1.000 15.05707 ? 17  CYS C N   1 
ATOM   1401 C  CA  . CYS C 1 19 ? 46.79400 39.62100 45.28400 1.000 12.20936 ? 17  CYS C CA  1 
ATOM   1402 C  C   . CYS C 1 19 ? 45.98500 38.69600 44.38400 1.000 14.11222 ? 17  CYS C C   1 
ATOM   1403 O  O   . CYS C 1 19 ? 46.55200 38.14500 43.43500 1.000 15.73347 ? 17  CYS C O   1 
ATOM   1404 C  CB  . CYS C 1 19 ? 47.52800 38.76600 46.32200 1.000 12.74627 ? 17  CYS C CB  1 
ATOM   1405 S  SG  . CYS C 1 19 ? 48.69500 39.73100 47.31300 1.000 14.23855 ? 17  CYS C SG  1 
ATOM   1406 N  N   . HIS C 1 20 ? 44.68300 38.51600 44.64500 1.000 13.48320 ? 18  HIS C N   1 
ATOM   1407 C  CA  . HIS C 1 20 ? 43.88600 37.47100 44.00600 1.000 15.39921 ? 18  HIS C CA  1 
ATOM   1408 C  C   . HIS C 1 20 ? 42.72100 38.02500 43.19200 1.000 15.99929 ? 18  HIS C C   1 
ATOM   1409 O  O   . HIS C 1 20 ? 41.71400 37.33300 43.00400 1.000 17.12311 ? 18  HIS C O   1 
ATOM   1410 C  CB  . HIS C 1 20 ? 43.33400 36.49000 45.04000 1.000 11.82247 ? 18  HIS C CB  1 
ATOM   1411 C  CG  . HIS C 1 20 ? 44.38600 35.68100 45.73900 1.000 13.83850 ? 18  HIS C CG  1 
ATOM   1412 N  ND1 . HIS C 1 20 ? 45.25300 34.84300 45.07300 1.000 14.47016 ? 18  HIS C ND1 1 
ATOM   1413 C  CD2 . HIS C 1 20 ? 44.68200 35.56000 47.05600 1.000 14.11222 ? 18  HIS C CD2 1 
ATOM   1414 C  CE1 . HIS C 1 20 ? 46.03900 34.24000 45.95000 1.000 15.98876 ? 18  HIS C CE1 1 
ATOM   1415 N  NE2 . HIS C 1 20 ? 45.70900 34.65800 47.16200 1.000 13.13579 ? 18  HIS C NE2 1 
ATOM   1416 N  N   . LEU C 1 21 ? 42.84200 39.26400 42.71900 1.000 14.22013 ? 19  LEU C N   1 
ATOM   1417 C  CA  . LEU C 1 21 ? 41.79200 39.90100 41.93500 1.000 15.52291 ? 19  LEU C CA  1 
ATOM   1418 C  C   . LEU C 1 21 ? 41.29200 38.98000 40.83100 1.000 17.39156 ? 19  LEU C C   1 
ATOM   1419 O  O   . LEU C 1 21 ? 42.08200 38.43900 40.05000 1.000 16.97572 ? 19  LEU C O   1 
ATOM   1420 C  CB  . LEU C 1 21 ? 42.32800 41.20400 41.33200 1.000 16.08877 ? 19  LEU C CB  1 
ATOM   1421 C  CG  . LEU C 1 21 ? 41.34400 42.00600 40.48400 1.000 16.48092 ? 19  LEU C CG  1 
ATOM   1422 C  CD1 . LEU C 1 21 ? 40.31500 42.68700 41.36500 1.000 20.89461 ? 19  LEU C CD1 1 
ATOM   1423 C  CD2 . LEU C 1 21 ? 42.09500 43.03400 39.65100 1.000 19.83659 ? 19  LEU C CD2 1 
ATOM   1424 N  N   . GLY C 1 22 ? 39.96800 38.80300 40.77300 1.000 18.14691 ? 20  GLY C N   1 
ATOM   1425 C  CA  . GLY C 1 22 ? 39.38300 37.92700 39.77200 1.000 18.82068 ? 20  GLY C CA  1 
ATOM   1426 C  C   . GLY C 1 22 ? 39.83800 36.48700 39.84200 1.000 22.58955 ? 20  GLY C C   1 
ATOM   1427 O  O   . GLY C 1 22 ? 39.76800 35.77800 38.83500 1.000 22.90275 ? 20  GLY C O   1 
ATOM   1428 N  N   . GLY C 1 23 ? 40.31900 36.03400 41.00400 1.000 17.37314 ? 21  GLY C N   1 
ATOM   1429 C  CA  . GLY C 1 23 ? 40.75000 34.65600 41.18000 1.000 18.91806 ? 21  GLY C CA  1 
ATOM   1430 C  C   . GLY C 1 23 ? 42.17300 34.34600 40.77200 1.000 16.27827 ? 21  GLY C C   1 
ATOM   1431 O  O   . GLY C 1 23 ? 42.56900 33.17300 40.80900 1.000 18.17586 ? 21  GLY C O   1 
ATOM   1432 N  N   . ARG C 1 24 ? 42.96200 35.34900 40.42100 1.000 16.24405 ? 22  ARG C N   1 
ATOM   1433 C  CA  . ARG C 1 24 ? 44.32400 35.12600 39.94700 1.000 13.10420 ? 22  ARG C CA  1 
ATOM   1434 C  C   . ARG C 1 24 ? 45.28000 35.18700 41.14000 1.000 14.32803 ? 22  ARG C C   1 
ATOM   1435 O  O   . ARG C 1 24 ? 44.85700 35.03400 42.28700 1.000 14.32803 ? 22  ARG C O   1 
ATOM   1436 C  CB  . ARG C 1 24 ? 44.65100 36.13200 38.84400 1.000 17.87056 ? 22  ARG C CB  1 
ATOM   1437 C  CG  . ARG C 1 24 ? 43.69000 35.95400 37.64600 1.000 20.52615 ? 22  ARG C CG  1 
ATOM   1438 C  CD  . ARG C 1 24 ? 44.15500 36.67100 36.42200 1.000 27.86124 ? 22  ARG C CD  1 
ATOM   1439 N  NE  . ARG C 1 24 ? 45.50200 36.27600 36.03100 1.000 29.95359 ? 22  ARG C NE  1 
ATOM   1440 C  CZ  . ARG C 1 24 ? 45.78100 35.30300 35.17100 1.000 36.34120 ? 22  ARG C CZ  1 
ATOM   1441 N  NH1 . ARG C 1 24 ? 44.82400 34.56900 34.62200 1.000 31.98015 ? 22  ARG C NH1 1 
ATOM   1442 N  NH2 . ARG C 1 24 ? 47.05300 35.05900 34.86100 1.000 32.00910 ? 22  ARG C NH2 1 
ATOM   1443 N  N   . ASN C 1 25 ? 46.57700 35.38500 40.88200 1.000 14.75966 ? 23  ASN C N   1 
ATOM   1444 C  CA  . ASN C 1 25 ? 47.56500 35.46800 41.96300 1.000 14.45963 ? 23  ASN C CA  1 
ATOM   1445 C  C   . ASN C 1 25 ? 48.73100 36.29800 41.43500 1.000 14.18854 ? 23  ASN C C   1 
ATOM   1446 O  O   . ASN C 1 25 ? 49.54900 35.79100 40.66100 1.000 18.87595 ? 23  ASN C O   1 
ATOM   1447 C  CB  . ASN C 1 25 ? 48.01900 34.08600 42.40700 1.000 16.95730 ? 23  ASN C CB  1 
ATOM   1448 C  CG  . ASN C 1 25 ? 48.97800 34.13400 43.60200 1.000 14.73071 ? 23  ASN C CG  1 
ATOM   1449 O  OD1 . ASN C 1 25 ? 49.71100 35.10100 43.79500 1.000 15.33079 ? 23  ASN C OD1 1 
ATOM   1450 N  ND2 . ASN C 1 25 ? 48.97000 33.07400 44.40400 1.000 16.39933 ? 23  ASN C ND2 1 
ATOM   1451 N  N   . VAL C 1 26 ? 48.81500 37.55500 41.88700 1.000 13.24896 ? 24  VAL C N   1 
ATOM   1452 C  CA  . VAL C 1 26 ? 49.78900 38.49300 41.32900 1.000 16.33617 ? 24  VAL C CA  1 
ATOM   1453 C  C   . VAL C 1 26 ? 51.20600 38.08300 41.69200 1.000 17.77055 ? 24  VAL C C   1 
ATOM   1454 O  O   . VAL C 1 26 ? 52.15300 38.41800 40.97400 1.000 15.79926 ? 24  VAL C O   1 
ATOM   1455 C  CB  . VAL C 1 26 ? 49.48200 39.93000 41.80200 1.000 13.35686 ? 24  VAL C CB  1 
ATOM   1456 C  CG1 . VAL C 1 26 ? 49.89500 40.13400 43.27900 1.000 15.74926 ? 24  VAL C CG1 1 
ATOM   1457 C  CG2 . VAL C 1 26 ? 50.15500 40.95100 40.91000 1.000 16.49145 ? 24  VAL C CG2 1 
ATOM   1458 N  N   . VAL C 1 27 ? 51.37700 37.36200 42.79500 1.000 13.81218 ? 25  VAL C N   1 
ATOM   1459 C  CA  . VAL C 1 27 ? 52.70800 36.97600 43.24400 1.000 14.72019 ? 25  VAL C CA  1 
ATOM   1460 C  C   . VAL C 1 27 ? 53.17500 35.69800 42.56700 1.000 19.83133 ? 25  VAL C C   1 
ATOM   1461 O  O   . VAL C 1 27 ? 54.32500 35.60300 42.13200 1.000 19.02860 ? 25  VAL C O   1 
ATOM   1462 C  CB  . VAL C 1 27 ? 52.71400 36.82900 44.77900 1.000 15.84927 ? 25  VAL C CB  1 
ATOM   1463 C  CG1 . VAL C 1 27 ? 54.11000 36.46600 45.27300 1.000 17.65475 ? 25  VAL C CG1 1 
ATOM   1464 C  CG2 . VAL C 1 27 ? 52.20300 38.11400 45.44700 1.000 13.18053 ? 25  VAL C CG2 1 
ATOM   1465 N  N   . ASN C 1 28 ? 52.31000 34.68700 42.49600 1.000 19.27600 ? 26  ASN C N   1 
ATOM   1466 C  CA  A ASN C 1 28 ? 52.65900 33.40100 41.89700 0.500 21.73155 ? 26  ASN C CA  1 
ATOM   1467 C  CA  B ASN C 1 28 ? 52.64300 33.37600 41.93300 0.500 20.61037 ? 26  ASN C CA  1 
ATOM   1468 C  C   . ASN C 1 28 ? 51.54300 32.96700 40.96400 1.000 21.44994 ? 26  ASN C C   1 
ATOM   1469 O  O   . ASN C 1 28 ? 50.52500 32.41100 41.40700 1.000 20.85776 ? 26  ASN C O   1 
ATOM   1470 C  CB  A ASN C 1 28 ? 52.92400 32.32200 42.93200 0.500 21.62365 ? 26  ASN C CB  1 
ATOM   1471 C  CB  B ASN C 1 28 ? 52.76100 32.30600 43.02500 0.500 21.31045 ? 26  ASN C CB  1 
ATOM   1472 C  CG  A ASN C 1 28 ? 53.48800 31.06100 42.30000 0.500 23.28963 ? 26  ASN C CG  1 
ATOM   1473 C  CG  B ASN C 1 28 ? 53.89600 32.55500 44.01600 0.500 23.27121 ? 26  ASN C CG  1 
ATOM   1474 O  OD1 A ASN C 1 28 ? 53.76500 31.02700 41.09000 0.500 25.81625 ? 26  ASN C OD1 1 
ATOM   1475 O  OD1 B ASN C 1 28 ? 54.80300 33.34700 43.77100 0.500 28.75345 ? 26  ASN C OD1 1 
ATOM   1476 N  ND2 A ASN C 1 28 ? 53.66800 30.02500 43.10300 0.500 28.14022 ? 26  ASN C ND2 1 
ATOM   1477 N  ND2 B ASN C 1 28 ? 53.85800 31.83900 45.13600 0.500 25.52411 ? 26  ASN C ND2 1 
ATOM   1478 N  N   . PRO C 1 29 ? 51.70500 33.18100 39.65600 1.000 22.10791 ? 27  PRO C N   1 
ATOM   1479 C  CA  . PRO C 1 29 ? 50.65100 32.77700 38.70300 1.000 23.27384 ? 27  PRO C CA  1 
ATOM   1480 C  C   . PRO C 1 29 ? 50.36700 31.27600 38.68000 1.000 22.88432 ? 27  PRO C C   1 
ATOM   1481 O  O   . PRO C 1 29 ? 49.32900 30.87000 38.13700 1.000 21.24465 ? 27  PRO C O   1 
ATOM   1482 C  CB  . PRO C 1 29 ? 51.18900 33.26500 37.35000 1.000 26.65320 ? 27  PRO C CB  1 
ATOM   1483 C  CG  . PRO C 1 29 ? 52.69000 33.35800 37.55600 1.000 24.42924 ? 27  PRO C CG  1 
ATOM   1484 C  CD  . PRO C 1 29 ? 52.84000 33.83400 38.97500 1.000 24.22396 ? 27  PRO C CD  1 
ATOM   1485 N  N   . ALA C 1 30 ? 51.23700 30.44500 39.25600 1.000 22.98960 ? 28  ALA C N   1 
ATOM   1486 C  CA  . ALA C 1 30 ? 50.99100 29.00600 39.27900 1.000 24.40556 ? 28  ALA C CA  1 
ATOM   1487 C  C   . ALA C 1 30 ? 49.94700 28.59800 40.31400 1.000 26.72689 ? 28  ALA C C   1 
ATOM   1488 O  O   . ALA C 1 30 ? 49.41500 27.48400 40.23300 1.000 27.05324 ? 28  ALA C O   1 
ATOM   1489 C  CB  . ALA C 1 30 ? 52.29300 28.25100 39.54300 1.000 24.76876 ? 28  ALA C CB  1 
ATOM   1490 N  N   . LYS C 1 31 ? 49.63100 29.46200 41.27400 1.000 20.97357 ? 29  LYS C N   1 
ATOM   1491 C  CA  . LYS C 1 31 ? 48.77700 29.10500 42.41200 1.000 22.00790 ? 29  LYS C CA  1 
ATOM   1492 C  C   . LYS C 1 31 ? 47.58900 30.06500 42.49700 1.000 22.86327 ? 29  LYS C C   1 
ATOM   1493 O  O   . LYS C 1 31 ? 47.43700 30.81200 43.47300 1.000 19.26284 ? 29  LYS C O   1 
ATOM   1494 C  CB  . LYS C 1 31 ? 49.59800 29.09300 43.70400 1.000 24.13447 ? 29  LYS C CB  1 
ATOM   1495 C  CG  . LYS C 1 31 ? 50.70000 28.03900 43.66600 1.000 28.22970 ? 29  LYS C CG  1 
ATOM   1496 C  CD  . LYS C 1 31 ? 51.33200 27.81400 45.00900 1.000 30.42207 ? 29  LYS C CD  1 
ATOM   1497 C  CE  . LYS C 1 31 ? 52.39500 26.73200 44.92300 1.000 33.20398 ? 29  LYS C CE  1 
ATOM   1498 N  NZ  . LYS C 1 31 ? 53.00700 26.46100 46.26100 1.000 37.96771 ? 29  LYS C NZ  1 
ATOM   1499 N  N   . THR C 1 32 ? 46.72900 30.03100 41.48400 1.000 20.43929 ? 30  THR C N   1 
ATOM   1500 C  CA  . THR C 1 32 ? 45.56900 30.90700 41.48400 1.000 20.53930 ? 30  THR C CA  1 
ATOM   1501 C  C   . THR C 1 32 ? 44.44700 30.28400 42.30100 1.000 17.04152 ? 30  THR C C   1 
ATOM   1502 O  O   . THR C 1 32 ? 44.57600 29.19200 42.86100 1.000 19.22862 ? 30  THR C O   1 
ATOM   1503 C  CB  . THR C 1 32 ? 45.08200 31.16800 40.06800 1.000 20.70511 ? 30  THR C CB  1 
ATOM   1504 O  OG1 . THR C 1 32 ? 44.45800 29.97700 39.57500 1.000 21.07358 ? 30  THR C OG1 1 
ATOM   1505 C  CG2 . THR C 1 32 ? 46.27200 31.56200 39.16000 1.000 21.65786 ? 30  THR C CG2 1 
ATOM   1506 N  N   . LEU C 1 33 ? 43.31700 30.98800 42.35300 1.000 17.50736 ? 31  LEU C N   1 
ATOM   1507 C  CA  . LEU C 1 33 ? 42.12600 30.48200 43.01500 1.000 20.84460 ? 31  LEU C CA  1 
ATOM   1508 C  C   . LEU C 1 33 ? 41.18400 29.80900 42.02800 1.000 22.20529 ? 31  LEU C C   1 
ATOM   1509 O  O   . LEU C 1 33 ? 40.03100 29.52800 42.37300 1.000 20.34718 ? 31  LEU C O   1 
ATOM   1510 C  CB  . LEU C 1 33 ? 41.40600 31.62000 43.74700 1.000 19.21809 ? 31  LEU C CB  1 
ATOM   1511 C  CG  . LEU C 1 33 ? 42.30200 32.47300 44.65500 1.000 16.39933 ? 31  LEU C CG  1 
ATOM   1512 C  CD1 . LEU C 1 33 ? 41.46400 33.43000 45.47900 1.000 17.54684 ? 31  LEU C CD1 1 
ATOM   1513 C  CD2 . LEU C 1 33 ? 43.13000 31.60500 45.56800 1.000 19.72868 ? 31  LEU C CD2 1 
ATOM   1514 N  N   . GLN C 1 34 ? 41.65900 29.55000 40.81300 1.000 23.17646 ? 32  GLN C N   1 
ATOM   1515 C  CA  . GLN C 1 34 ? 40.85900 28.85300 39.81900 1.000 22.15792 ? 32  GLN C CA  1 
ATOM   1516 C  C   . GLN C 1 34 ? 40.72500 27.37900 40.17800 1.000 24.25291 ? 32  GLN C C   1 
ATOM   1517 O  O   . GLN C 1 34 ? 41.60700 26.78400 40.80500 1.000 27.95335 ? 32  GLN C O   1 
ATOM   1518 C  CB  . GLN C 1 34 ? 41.49200 29.01400 38.43500 1.000 26.66899 ? 32  GLN C CB  1 
ATOM   1519 C  CG  . GLN C 1 34 ? 41.55200 30.46000 37.96900 1.000 25.18723 ? 32  GLN C CG  1 
ATOM   1520 C  CD  . GLN C 1 34 ? 42.61000 30.69900 36.90600 1.000 36.96496 ? 32  GLN C CD  1 
ATOM   1521 O  OE1 . GLN C 1 34 ? 43.30400 29.77600 36.47800 1.000 38.03877 ? 32  GLN C OE1 1 
ATOM   1522 N  NE2 . GLN C 1 34 ? 42.74100 31.95000 36.47700 1.000 41.44971 ? 32  GLN C NE2 1 
ATOM   1523 N  N   . LYS C 1 35 ? 39.59200 26.79700 39.77500 1.000 28.81661 ? 33  LYS C N   1 
ATOM   1524 C  CA  . LYS C 1 35 ? 39.26800 25.41300 40.10400 1.000 29.49038 ? 33  LYS C CA  1 
ATOM   1525 C  C   . LYS C 1 35 ? 40.42500 24.46500 39.80600 1.000 28.73766 ? 33  LYS C C   1 
ATOM   1526 O  O   . LYS C 1 35 ? 40.75600 23.59600 40.62200 1.000 31.75381 ? 33  LYS C O   1 
ATOM   1527 C  CB  . LYS C 1 35 ? 38.01700 24.98900 39.32700 1.000 33.77247 ? 33  LYS C CB  1 
ATOM   1528 C  CG  . LYS C 1 35 ? 37.54200 23.57700 39.61000 1.000 37.60977 ? 33  LYS C CG  1 
ATOM   1529 C  CD  . LYS C 1 35 ? 36.32100 23.22800 38.76300 1.000 39.88636 ? 33  LYS C CD  1 
ATOM   1530 C  CE  . LYS C 1 35 ? 35.68100 21.92600 39.22300 1.000 46.23449 ? 33  LYS C CE  1 
ATOM   1531 N  NZ  . LYS C 1 35 ? 36.62600 20.77300 39.11700 1.000 48.19525 ? 33  LYS C NZ  1 
ATOM   1532 N  N   . ALA C 1 36 ? 41.04100 24.60800 38.62800 1.000 29.61408 ? 34  ALA C N   1 
ATOM   1533 C  CA  . ALA C 1 36 ? 42.11000 23.69200 38.24200 1.000 32.24334 ? 34  ALA C CA  1 
ATOM   1534 C  C   . ALA C 1 36 ? 43.27500 23.75600 39.22400 1.000 30.48787 ? 34  ALA C C   1 
ATOM   1535 O  O   . ALA C 1 36 ? 43.81800 22.71700 39.62200 1.000 33.05660 ? 34  ALA C O   1 
ATOM   1536 C  CB  . ALA C 1 36 ? 42.58700 24.00300 36.82300 1.000 30.85633 ? 34  ALA C CB  1 
ATOM   1537 N  N   . ASP C 1 37 ? 43.66900 24.96600 39.63100 1.000 29.56407 ? 35  ASP C N   1 
ATOM   1538 C  CA  . ASP C 1 37 ? 44.79900 25.09900 40.54500 1.000 30.24047 ? 35  ASP C CA  1 
ATOM   1539 C  C   . ASP C 1 37 ? 44.44400 24.61600 41.94500 1.000 28.37182 ? 35  ASP C C   1 
ATOM   1540 O  O   . ASP C 1 37 ? 45.25700 23.94900 42.59300 1.000 29.07191 ? 35  ASP C O   1 
ATOM   1541 C  CB  . ASP C 1 37 ? 45.28300 26.54400 40.59800 1.000 25.42936 ? 35  ASP C CB  1 
ATOM   1542 C  CG  . ASP C 1 37 ? 46.06300 26.94800 39.36800 1.000 32.37230 ? 35  ASP C CG  1 
ATOM   1543 O  OD1 . ASP C 1 37 ? 46.38000 26.07000 38.52500 1.000 36.02011 ? 35  ASP C OD1 1 
ATOM   1544 O  OD2 . ASP C 1 37 ? 46.35000 28.15600 39.24700 1.000 26.99534 ? 35  ASP C OD2 1 
ATOM   1545 N  N   . LEU C 1 38 ? 43.24900 24.95700 42.44100 1.000 27.99809 ? 36  LEU C N   1 
ATOM   1546 C  CA  . LEU C 1 38 ? 42.85700 24.46100 43.75900 1.000 27.80860 ? 36  LEU C CA  1 
ATOM   1547 C  C   . LEU C 1 38 ? 42.87700 22.93900 43.79100 1.000 31.15374 ? 36  LEU C C   1 
ATOM   1548 O  O   . LEU C 1 38 ? 43.36300 22.33800 44.75400 1.000 29.17455 ? 36  LEU C O   1 
ATOM   1549 C  CB  . LEU C 1 38 ? 41.47400 24.98300 44.15600 1.000 30.60104 ? 36  LEU C CB  1 
ATOM   1550 C  CG  . LEU C 1 38 ? 41.33300 26.49700 44.31200 1.000 26.53476 ? 36  LEU C CG  1 
ATOM   1551 C  CD1 . LEU C 1 38 ? 39.90400 26.86400 44.68300 1.000 26.22683 ? 36  LEU C CD1 1 
ATOM   1552 C  CD2 . LEU C 1 38 ? 42.32100 27.02700 45.34300 1.000 23.17646 ? 36  LEU C CD2 1 
ATOM   1553 N  N   . ASP C 1 39 ? 42.38300 22.30300 42.72500 1.000 32.98817 ? 37  ASP C N   1 
ATOM   1554 C  CA  . ASP C 1 39 ? 42.40900 20.84500 42.64200 1.000 34.15410 ? 37  ASP C CA  1 
ATOM   1555 C  C   . ASP C 1 39 ? 43.83600 20.31200 42.67600 1.000 30.28521 ? 37  ASP C C   1 
ATOM   1556 O  O   . ASP C 1 39 ? 44.13700 19.35700 43.40300 1.000 31.68275 ? 37  ASP C O   1 
ATOM   1557 C  CB  . ASP C 1 39 ? 41.70100 20.38200 41.37100 1.000 32.91184 ? 37  ASP C CB  1 
ATOM   1558 C  CG  . ASP C 1 39 ? 40.20200 20.47300 41.48000 1.000 42.01293 ? 37  ASP C CG  1 
ATOM   1559 O  OD1 . ASP C 1 39 ? 39.69400 20.45900 42.62500 1.000 45.17121 ? 37  ASP C OD1 1 
ATOM   1560 O  OD2 . ASP C 1 39 ? 39.52900 20.55300 40.42700 1.000 44.39480 ? 37  ASP C OD2 1 
ATOM   1561 N  N   . GLN C 1 40 ? 44.72800 20.92100 41.89000 1.000 31.37745 ? 38  GLN C N   1 
ATOM   1562 C  CA  . GLN C 1 40 ? 46.09900 20.42900 41.79300 1.000 30.14835 ? 38  GLN C CA  1 
ATOM   1563 C  C   . GLN C 1 40 ? 46.77200 20.37600 43.15700 1.000 33.28294 ? 38  GLN C C   1 
ATOM   1564 O  O   . GLN C 1 40 ? 47.45300 19.39800 43.48400 1.000 35.34108 ? 38  GLN C O   1 
ATOM   1565 C  CB  . GLN C 1 40 ? 46.90300 21.30600 40.83200 1.000 31.49588 ? 38  GLN C CB  1 
ATOM   1566 C  CG  . GLN C 1 40 ? 48.37200 20.91500 40.72600 1.000 32.06963 ? 38  GLN C CG  1 
ATOM   1567 C  CD  . GLN C 1 40 ? 49.16800 21.81500 39.79900 1.000 34.25674 ? 38  GLN C CD  1 
ATOM   1568 O  OE1 . GLN C 1 40 ? 48.60700 22.63900 39.07400 1.000 36.64650 ? 38  GLN C OE1 1 
ATOM   1569 N  NE2 . GLN C 1 40 ? 50.48700 21.65800 39.81800 1.000 37.81769 ? 38  GLN C NE2 1 
ATOM   1570 N  N   . TYR C 1 41 ? 46.57100 21.40200 43.98100 1.000 32.18544 ? 39  TYR C N   1 
ATOM   1571 C  CA  . TYR C 1 41 ? 47.28500 21.53500 45.24300 1.000 29.88253 ? 39  TYR C CA  1 
ATOM   1572 C  C   . TYR C 1 41 ? 46.47100 21.08400 46.45200 1.000 30.56156 ? 39  TYR C C   1 
ATOM   1573 O  O   . TYR C 1 41 ? 46.88500 21.33300 47.58800 1.000 33.77247 ? 39  TYR C O   1 
ATOM   1574 C  CB  . TYR C 1 41 ? 47.74800 22.98100 45.41800 1.000 30.44576 ? 39  TYR C CB  1 
ATOM   1575 C  CG  . TYR C 1 41 ? 48.67400 23.42700 44.30600 1.000 30.93002 ? 39  TYR C CG  1 
ATOM   1576 C  CD1 . TYR C 1 41 ? 49.94500 22.87900 44.17800 1.000 34.01987 ? 39  TYR C CD1 1 
ATOM   1577 C  CD2 . TYR C 1 41 ? 48.27600 24.38000 43.37900 1.000 28.72186 ? 39  TYR C CD2 1 
ATOM   1578 C  CE1 . TYR C 1 41 ? 50.79600 23.27500 43.15700 1.000 30.85633 ? 39  TYR C CE1 1 
ATOM   1579 C  CE2 . TYR C 1 41 ? 49.12200 24.78600 42.35600 1.000 29.77199 ? 39  TYR C CE2 1 
ATOM   1580 C  CZ  . TYR C 1 41 ? 50.38000 24.22700 42.25100 1.000 31.76170 ? 39  TYR C CZ  1 
ATOM   1581 O  OH  . TYR C 1 41 ? 51.23000 24.62100 41.23800 1.000 33.21451 ? 39  TYR C OH  1 
ATOM   1582 N  N   . GLY C 1 42 ? 45.34100 20.41300 46.24200 1.000 33.17240 ? 40  GLY C N   1 
ATOM   1583 C  CA  . GLY C 1 42 ? 44.54600 19.94100 47.36300 1.000 34.06724 ? 40  GLY C CA  1 
ATOM   1584 C  C   . GLY C 1 42 ? 43.90100 21.04200 48.17500 1.000 33.98565 ? 40  GLY C C   1 
ATOM   1585 O  O   . GLY C 1 42 ? 43.72000 20.88600 49.38900 1.000 34.57257 ? 40  GLY C O   1 
ATOM   1586 N  N   . MET C 1 43 ? 43.54100 22.15500 47.53700 1.000 31.88277 ? 41  MET C N   1 
ATOM   1587 C  CA  . MET C 1 43 ? 43.01800 23.32000 48.23800 1.000 29.28509 ? 41  MET C CA  1 
ATOM   1588 C  C   . MET C 1 43 ? 41.54700 23.57400 47.95100 1.000 30.32732 ? 41  MET C C   1 
ATOM   1589 O  O   . MET C 1 43 ? 41.03000 24.62600 48.34000 1.000 27.13220 ? 41  MET C O   1 
ATOM   1590 C  CB  . MET C 1 43 ? 43.83500 24.55900 47.87100 1.000 25.41357 ? 41  MET C CB  1 
ATOM   1591 C  CG  . MET C 1 43 ? 45.27400 24.48300 48.32600 1.000 26.10050 ? 41  MET C CG  1 
ATOM   1592 S  SD  . MET C 1 43 ? 45.40700 24.62800 50.11800 1.000 26.87164 ? 41  MET C SD  1 
ATOM   1593 C  CE  . MET C 1 43 ? 44.69800 26.25800 50.37100 1.000 23.97656 ? 41  MET C CE  1 
ATOM   1594 N  N   . ALA C 1 44 ? 40.86200 22.64300 47.29100 1.000 26.71373 ? 42  ALA C N   1 
ATOM   1595 C  CA  . ALA C 1 44 ? 39.48300 22.86100 46.86000 1.000 30.85633 ? 42  ALA C CA  1 
ATOM   1596 C  C   . ALA C 1 44 ? 38.49100 22.43900 47.93400 1.000 30.32206 ? 42  ALA C C   1 
ATOM   1597 O  O   . ALA C 1 44 ? 37.51100 21.73800 47.66800 1.000 33.41453 ? 42  ALA C O   1 
ATOM   1598 C  CB  . ALA C 1 44 ? 39.21900 22.12400 45.55100 1.000 31.14847 ? 42  ALA C CB  1 
ATOM   1599 N  N   . SER C 1 45 ? 38.74200 22.86200 49.17100 1.000 27.50856 ? 43  SER C N   1 
ATOM   1600 C  CA  . SER C 1 45 ? 37.84000 22.56500 50.27100 1.000 27.92177 ? 43  SER C CA  1 
ATOM   1601 C  C   . SER C 1 45 ? 37.78400 23.76000 51.20900 1.000 24.62927 ? 43  SER C C   1 
ATOM   1602 O  O   . SER C 1 45 ? 38.70100 24.58300 51.24900 1.000 24.65559 ? 43  SER C O   1 
ATOM   1603 C  CB  . SER C 1 45 ? 38.26300 21.30500 51.04000 1.000 29.88779 ? 43  SER C CB  1 
ATOM   1604 O  OG  . SER C 1 45 ? 39.47800 21.51100 51.74500 1.000 31.40377 ? 43  SER C OG  1 
ATOM   1605 N  N   . ILE C 1 46 ? 36.69100 23.84300 51.96500 1.000 27.01113 ? 44  ILE C N   1 
ATOM   1606 C  CA  . ILE C 1 46 ? 36.55100 24.90900 52.95100 1.000 25.54254 ? 44  ILE C CA  1 
ATOM   1607 C  C   . ILE C 1 46 ? 37.66200 24.82400 53.98500 1.000 26.49002 ? 44  ILE C C   1 
ATOM   1608 O  O   . ILE C 1 46 ? 38.27000 25.83900 54.34500 1.000 24.85035 ? 44  ILE C O   1 
ATOM   1609 C  CB  . ILE C 1 46 ? 35.15900 24.84800 53.61000 1.000 30.51682 ? 44  ILE C CB  1 
ATOM   1610 C  CG1 . ILE C 1 46 ? 34.06400 25.16400 52.58400 1.000 30.72210 ? 44  ILE C CG1 1 
ATOM   1611 C  CG2 . ILE C 1 46 ? 35.09100 25.79500 54.80200 1.000 30.59314 ? 44  ILE C CG2 1 
ATOM   1612 C  CD1 . ILE C 1 46 ? 34.20800 26.52400 51.94300 1.000 26.17156 ? 44  ILE C CD1 1 
ATOM   1613 N  N   . GLU C 1 47 ? 37.95300 23.61100 54.47200 1.000 26.48212 ? 45  GLU C N   1 
ATOM   1614 C  CA  . GLU C 1 47 ? 38.95700 23.45100 55.52200 1.000 26.94534 ? 45  GLU C CA  1 
ATOM   1615 C  C   . GLU C 1 47 ? 40.33700 23.87800 55.04300 1.000 26.30579 ? 45  GLU C C   1 
ATOM   1616 O  O   . GLU C 1 47 ? 41.07100 24.55900 55.77000 1.000 24.73191 ? 45  GLU C O   1 
ATOM   1617 C  CB  . GLU C 1 47 ? 39.00300 22.00000 56.01200 1.000 31.26427 ? 45  GLU C CB  1 
ATOM   1618 C  CG  . GLU C 1 47 ? 40.16000 21.72900 56.97700 1.000 35.27791 ? 45  GLU C CG  1 
ATOM   1619 C  CD  . GLU C 1 47 ? 40.23200 20.28500 57.44100 1.000 46.28450 ? 45  GLU C CD  1 
ATOM   1620 O  OE1 . GLU C 1 47 ? 40.10400 19.37000 56.59300 1.000 45.26859 ? 45  GLU C OE1 1 
ATOM   1621 O  OE2 . GLU C 1 47 ? 40.41200 20.06700 58.66200 1.000 48.37948 ? 45  GLU C OE2 1 
ATOM   1622 N  N   . ALA C 1 48 ? 40.70900 23.48800 53.82000 1.000 24.87930 ? 46  ALA C N   1 
ATOM   1623 C  CA  . ALA C 1 48 ? 42.04400 23.80400 53.32900 1.000 25.14249 ? 46  ALA C CA  1 
ATOM   1624 C  C   . ALA C 1 48 ? 42.21300 25.30300 53.11000 1.000 22.61324 ? 46  ALA C C   1 
ATOM   1625 O  O   . ALA C 1 48 ? 43.23700 25.87700 53.49600 1.000 20.93672 ? 46  ALA C O   1 
ATOM   1626 C  CB  . ALA C 1 48 ? 42.33000 23.03000 52.04400 1.000 30.24573 ? 46  ALA C CB  1 
ATOM   1627 N  N   . ILE C 1 49 ? 41.21100 25.95500 52.51400 1.000 23.65810 ? 47  ILE C N   1 
ATOM   1628 C  CA  . ILE C 1 49 ? 41.26100 27.40700 52.34600 1.000 21.01831 ? 47  ILE C CA  1 
ATOM   1629 C  C   . ILE C 1 49 ? 41.30900 28.09700 53.70400 1.000 21.12885 ? 47  ILE C C   1 
ATOM   1630 O  O   . ILE C 1 49 ? 42.10000 29.02900 53.91700 1.000 18.68382 ? 47  ILE C O   1 
ATOM   1631 C  CB  . ILE C 1 49 ? 40.06200 27.89600 51.51500 1.000 23.10277 ? 47  ILE C CB  1 
ATOM   1632 C  CG1 . ILE C 1 49 ? 40.10900 27.31800 50.09400 1.000 20.63142 ? 47  ILE C CG1 1 
ATOM   1633 C  CG2 . ILE C 1 49 ? 40.03900 29.43000 51.46500 1.000 21.97895 ? 47  ILE C CG2 1 
ATOM   1634 C  CD1 . ILE C 1 49 ? 38.77200 27.45600 49.34600 1.000 18.22850 ? 47  ILE C CD1 1 
ATOM   1635 N  N   . THR C 1 50 ? 40.45900 27.64900 54.63900 1.000 20.61037 ? 48  THR C N   1 
ATOM   1636 C  CA  . THR C 1 50 ? 40.41200 28.24700 55.97100 1.000 20.57089 ? 48  THR C CA  1 
ATOM   1637 C  C   . THR C 1 50 ? 41.77300 28.15800 56.65700 1.000 21.99474 ? 48  THR C C   1 
ATOM   1638 O  O   . THR C 1 50 ? 42.24200 29.13000 57.26700 1.000 17.74160 ? 48  THR C O   1 
ATOM   1639 C  CB  . THR C 1 50 ? 39.33800 27.55500 56.81500 1.000 25.57675 ? 48  THR C CB  1 
ATOM   1640 O  OG1 . THR C 1 50 ? 38.03700 27.77500 56.23900 1.000 21.18149 ? 48  THR C OG1 1 
ATOM   1641 C  CG2 . THR C 1 50 ? 39.35300 28.07600 58.24800 1.000 22.92117 ? 48  THR C CG2 1 
ATOM   1642 N  N   . THR C 1 51 ? 42.42700 26.99800 56.55600 1.000 20.71827 ? 49  THR C N   1 
ATOM   1643 C  CA  . THR C 1 51 ? 43.72500 26.82000 57.20200 1.000 21.40520 ? 49  THR C CA  1 
ATOM   1644 C  C   . THR C 1 51 ? 44.76000 27.78100 56.63700 1.000 19.55498 ? 49  THR C C   1 
ATOM   1645 O  O   . THR C 1 51 ? 45.53200 28.38600 57.39000 1.000 21.72629 ? 49  THR C O   1 
ATOM   1646 C  CB  . THR C 1 51 ? 44.20500 25.38100 57.03900 1.000 20.93146 ? 49  THR C CB  1 
ATOM   1647 O  OG1 . THR C 1 51 ? 43.33600 24.50700 57.76800 1.000 27.28485 ? 49  THR C OG1 1 
ATOM   1648 C  CG2 . THR C 1 51 ? 45.63800 25.23100 57.55600 1.000 23.19225 ? 49  THR C CG2 1 
ATOM   1649 N  N   . GLN C 1 52 ? 44.79200 27.93600 55.31300 1.000 19.23652 ? 50  GLN C N   1 
ATOM   1650 C  CA  . GLN C 1 52 ? 45.82000 28.78000 54.71400 1.000 17.52842 ? 50  GLN C CA  1 
ATOM   1651 C  C   . GLN C 1 52 ? 45.54700 30.25800 54.97500 1.000 18.09427 ? 50  GLN C C   1 
ATOM   1652 O  O   . GLN C 1 52 ? 46.48500 31.03900 55.18300 1.000 17.19943 ? 50  GLN C O   1 
ATOM   1653 C  CB  . GLN C 1 52 ? 45.92900 28.50100 53.21800 1.000 18.97070 ? 50  GLN C CB  1 
ATOM   1654 C  CG  . GLN C 1 52 ? 47.09900 29.24100 52.56400 1.000 21.36572 ? 50  GLN C CG  1 
ATOM   1655 C  CD  . GLN C 1 52 ? 47.71800 28.45500 51.41500 1.000 20.59984 ? 50  GLN C CD  1 
ATOM   1656 O  OE1 . GLN C 1 52 ? 47.95500 27.25300 51.53000 1.000 23.11856 ? 50  GLN C OE1 1 
ATOM   1657 N  NE2 . GLN C 1 52 ? 47.96800 29.12800 50.30200 1.000 20.11820 ? 50  GLN C NE2 1 
ATOM   1658 N  N   . VAL C 1 53 ? 44.27700 30.66900 54.95000 1.000 16.17826 ? 51  VAL C N   1 
ATOM   1659 C  CA  . VAL C 1 53 ? 43.95000 32.04800 55.30000 1.000 14.75703 ? 51  VAL C CA  1 
ATOM   1660 C  C   . VAL C 1 53 ? 44.38600 32.33300 56.72700 1.000 17.51789 ? 51  VAL C C   1 
ATOM   1661 O  O   . VAL C 1 53 ? 44.96400 33.38500 57.02400 1.000 16.32827 ? 51  VAL C O   1 
ATOM   1662 C  CB  . VAL C 1 53 ? 42.44200 32.30000 55.11000 1.000 17.02836 ? 51  VAL C CB  1 
ATOM   1663 C  CG1 . VAL C 1 53 ? 42.02000 33.63400 55.70400 1.000 15.19393 ? 51  VAL C CG1 1 
ATOM   1664 C  CG2 . VAL C 1 53 ? 42.09200 32.23200 53.65000 1.000 15.85716 ? 51  VAL C CG2 1 
ATOM   1665 N  N   . THR C 1 54 ? 44.14100 31.37800 57.62500 1.000 16.63621 ? 52  THR C N   1 
ATOM   1666 C  CA  . THR C 1 54 ? 44.42700 31.58600 59.03900 1.000 15.88348 ? 52  THR C CA  1 
ATOM   1667 C  C   . THR C 1 54 ? 45.93000 31.67500 59.29400 1.000 19.08650 ? 52  THR C C   1 
ATOM   1668 O  O   . THR C 1 54 ? 46.39200 32.55700 60.02500 1.000 18.68119 ? 52  THR C O   1 
ATOM   1669 C  CB  . THR C 1 54 ? 43.81100 30.45200 59.86500 1.000 17.71791 ? 52  THR C CB  1 
ATOM   1670 O  OG1 . THR C 1 54 ? 42.39100 30.40300 59.66800 1.000 19.04965 ? 52  THR C OG1 1 
ATOM   1671 C  CG2 . THR C 1 54 ? 44.07300 30.66700 61.35500 1.000 19.83133 ? 52  THR C CG2 1 
ATOM   1672 N  N   . ASN C 1 55 ? 46.70500 30.76300 58.70200 1.000 18.70224 ? 53  ASN C N   1 
ATOM   1673 C  CA  . ASN C 1 55 ? 48.11600 30.59200 59.03900 1.000 20.40771 ? 53  ASN C CA  1 
ATOM   1674 C  C   . ASN C 1 55 ? 49.07800 31.23200 58.05200 1.000 19.78132 ? 53  ASN C C   1 
ATOM   1675 O  O   . ASN C 1 55 ? 50.26500 31.37400 58.38100 1.000 21.99211 ? 53  ASN C O   1 
ATOM   1676 C  CB  . ASN C 1 55 ? 48.46300 29.10400 59.12000 1.000 21.77103 ? 53  ASN C CB  1 
ATOM   1677 C  CG  . ASN C 1 55 ? 47.71500 28.38600 60.21100 1.000 26.73742 ? 53  ASN C CG  1 
ATOM   1678 O  OD1 . ASN C 1 55 ? 47.17800 29.00500 61.13300 1.000 26.20841 ? 53  ASN C OD1 1 
ATOM   1679 N  ND2 . ASN C 1 55 ? 47.68100 27.06400 60.11900 1.000 29.11665 ? 53  ASN C ND2 1 
ATOM   1680 N  N   . GLY C 1 56 ? 48.61100 31.59400 56.85700 1.000 18.76541 ? 54  GLY C N   1 
ATOM   1681 C  CA  . GLY C 1 56 ? 49.48700 32.05200 55.80100 1.000 17.82845 ? 54  GLY C CA  1 
ATOM   1682 C  C   . GLY C 1 56 ? 50.28600 30.91200 55.20300 1.000 19.87080 ? 54  GLY C C   1 
ATOM   1683 O  O   . GLY C 1 56 ? 50.23200 29.77600 55.68800 1.000 21.61575 ? 54  GLY C O   1 
ATOM   1684 N  N   . LYS C 1 57 ? 51.03400 31.20700 54.14800 1.000 16.77833 ? 55  LYS C N   1 
ATOM   1685 C  CA  . LYS C 1 57 ? 51.93300 30.22600 53.55100 1.000 18.92069 ? 55  LYS C CA  1 
ATOM   1686 C  C   . LYS C 1 57 ? 52.84200 30.94600 52.57100 1.000 20.40771 ? 55  LYS C C   1 
ATOM   1687 O  O   . LYS C 1 57 ? 52.35900 31.63200 51.66900 1.000 18.20218 ? 55  LYS C O   1 
ATOM   1688 C  CB  . LYS C 1 57 ? 51.17400 29.10800 52.82500 1.000 21.80261 ? 55  LYS C CB  1 
ATOM   1689 C  CG  . LYS C 1 57 ? 52.08500 28.16600 52.04300 1.000 20.72617 ? 55  LYS C CG  1 
ATOM   1690 C  CD  . LYS C 1 57 ? 51.34000 26.94000 51.53700 1.000 24.88983 ? 55  LYS C CD  1 
ATOM   1691 C  CE  . LYS C 1 57 ? 52.28900 25.95900 50.84800 1.000 30.80106 ? 55  LYS C CE  1 
ATOM   1692 N  NZ  . LYS C 1 57 ? 51.60000 24.71100 50.40100 1.000 35.81745 ? 55  LYS C NZ  1 
ATOM   1693 N  N   . GLY C 1 58 ? 54.14700 30.76800 52.72800 1.000 24.70033 ? 56  GLY C N   1 
ATOM   1694 C  CA  . GLY C 1 58 ? 55.06900 31.39800 51.79800 1.000 19.12071 ? 56  GLY C CA  1 
ATOM   1695 C  C   . GLY C 1 58 ? 54.90500 32.90000 51.83100 1.000 19.20757 ? 56  GLY C C   1 
ATOM   1696 O  O   . GLY C 1 58 ? 54.91700 33.52800 52.89700 1.000 20.34981 ? 56  GLY C O   1 
ATOM   1697 N  N   . ALA C 1 59 ? 54.71300 33.48700 50.64700 1.000 16.93098 ? 57  ALA C N   1 
ATOM   1698 C  CA  . ALA C 1 59 ? 54.51900 34.92100 50.51800 1.000 16.07035 ? 57  ALA C CA  1 
ATOM   1699 C  C   . ALA C 1 59 ? 53.10200 35.35600 50.86700 1.000 16.10719 ? 57  ALA C C   1 
ATOM   1700 O  O   . ALA C 1 59 ? 52.84500 36.55900 50.94200 1.000 16.40460 ? 57  ALA C O   1 
ATOM   1701 C  CB  . ALA C 1 59 ? 54.87700 35.37100 49.09000 1.000 17.02046 ? 57  ALA C CB  1 
ATOM   1702 N  N   . MET C 1 60 ? 52.18900 34.42600 51.11200 1.000 14.26487 ? 58  MET C N   1 
ATOM   1703 C  CA  . MET C 1 60 ? 50.83800 34.80400 51.52900 1.000 15.85453 ? 58  MET C CA  1 
ATOM   1704 C  C   . MET C 1 60 ? 50.79800 35.09300 53.01900 1.000 16.61778 ? 58  MET C C   1 
ATOM   1705 O  O   . MET C 1 60 ? 51.17800 34.22700 53.82200 1.000 17.30997 ? 58  MET C O   1 
ATOM   1706 C  CB  . MET C 1 60 ? 49.84000 33.71100 51.20700 1.000 15.09655 ? 58  MET C CB  1 
ATOM   1707 C  CG  . MET C 1 60 ? 48.45400 34.07700 51.67800 1.000 15.17550 ? 58  MET C CG  1 
ATOM   1708 S  SD  . MET C 1 60 ? 47.20600 33.01900 50.97000 1.000 13.43582 ? 58  MET C SD  1 
ATOM   1709 C  CE  . MET C 1 60 ? 45.98600 33.07900 52.29100 1.000 13.24369 ? 58  MET C CE  1 
ATOM   1710 N  N   . PRO C 1 61 ? 50.35200 36.27600 53.43600 1.000 13.72270 ? 59  PRO C N   1 
ATOM   1711 C  CA  . PRO C 1 61 ? 50.27700 36.59000 54.86400 1.000 13.90167 ? 59  PRO C CA  1 
ATOM   1712 C  C   . PRO C 1 61 ? 49.23500 35.75000 55.59100 1.000 16.32301 ? 59  PRO C C   1 
ATOM   1713 O  O   . PRO C 1 61 ? 48.29900 35.19200 55.00500 1.000 15.87032 ? 59  PRO C O   1 
ATOM   1714 C  CB  . PRO C 1 61 ? 49.89200 38.07600 54.88700 1.000 16.53619 ? 59  PRO C CB  1 
ATOM   1715 C  CG  . PRO C 1 61 ? 49.33200 38.37600 53.53500 1.000 19.21020 ? 59  PRO C CG  1 
ATOM   1716 C  CD  . PRO C 1 61 ? 49.91200 37.38900 52.57200 1.000 14.98338 ? 59  PRO C CD  1 
ATOM   1717 N  N   . ALA C 1 62 ? 49.39800 35.69100 56.90600 1.000 14.58333 ? 60  ALA C N   1 
ATOM   1718 C  CA  . ALA C 1 62 ? 48.41700 35.07500 57.79000 1.000 14.26224 ? 60  ALA C CA  1 
ATOM   1719 C  C   . ALA C 1 62 ? 47.33600 36.08400 58.16700 1.000 19.15230 ? 60  ALA C C   1 
ATOM   1720 O  O   . ALA C 1 62 ? 47.61300 37.26900 58.35900 1.000 19.52076 ? 60  ALA C O   1 
ATOM   1721 C  CB  . ALA C 1 62 ? 49.11100 34.55900 59.05300 1.000 17.17311 ? 60  ALA C CB  1 
ATOM   1722 N  N   . PHE C 1 63 ? 46.10000 35.60900 58.29100 1.000 14.47016 ? 61  PHE C N   1 
ATOM   1723 C  CA  . PHE C 1 63 ? 44.99400 36.47500 58.68800 1.000 14.75703 ? 61  PHE C CA  1 
ATOM   1724 C  C   . PHE C 1 63 ? 44.33200 36.05600 59.98800 1.000 15.52028 ? 61  PHE C C   1 
ATOM   1725 O  O   . PHE C 1 63 ? 43.36700 36.70400 60.40300 1.000 20.14715 ? 61  PHE C O   1 
ATOM   1726 C  CB  . PHE C 1 63 ? 43.94300 36.52500 57.57800 1.000 15.27288 ? 61  PHE C CB  1 
ATOM   1727 C  CG  . PHE C 1 63 ? 44.44700 37.16300 56.32400 1.000 14.09906 ? 61  PHE C CG  1 
ATOM   1728 C  CD1 . PHE C 1 63 ? 45.15000 36.41700 55.38800 1.000 13.65427 ? 61  PHE C CD1 1 
ATOM   1729 C  CD2 . PHE C 1 63 ? 44.24400 38.51500 56.09200 1.000 19.83133 ? 61  PHE C CD2 1 
ATOM   1730 C  CE1 . PHE C 1 63 ? 45.63900 37.01300 54.22200 1.000 15.13339 ? 61  PHE C CE1 1 
ATOM   1731 C  CE2 . PHE C 1 63 ? 44.72300 39.11200 54.92500 1.000 17.76266 ? 61  PHE C CE2 1 
ATOM   1732 C  CZ  . PHE C 1 63 ? 45.42000 38.35600 53.99500 1.000 15.37816 ? 61  PHE C CZ  1 
ATOM   1733 N  N   . GLY C 1 64 ? 44.82300 34.99900 60.63400 1.000 15.47554 ? 62  GLY C N   1 
ATOM   1734 C  CA  . GLY C 1 64 ? 44.12300 34.45600 61.78800 1.000 17.38366 ? 62  GLY C CA  1 
ATOM   1735 C  C   . GLY C 1 64 ? 43.98200 35.43700 62.93600 1.000 21.46047 ? 62  GLY C C   1 
ATOM   1736 O  O   . GLY C 1 64 ? 43.06300 35.31300 63.75400 1.000 19.96555 ? 62  GLY C O   1 
ATOM   1737 N  N   . SER C 1 65 ? 44.89500 36.40800 63.03800 1.000 20.05767 ? 63  SER C N   1 
ATOM   1738 C  CA  . SER C 1 65 ? 44.79400 37.39800 64.10600 1.000 22.37900 ? 63  SER C CA  1 
ATOM   1739 C  C   . SER C 1 65 ? 44.14100 38.69300 63.64900 1.000 24.45030 ? 63  SER C C   1 
ATOM   1740 O  O   . SER C 1 65 ? 43.84800 39.55100 64.49300 1.000 28.02968 ? 63  SER C O   1 
ATOM   1741 C  CB  . SER C 1 65 ? 46.18000 37.70500 64.69700 1.000 24.34766 ? 63  SER C CB  1 
ATOM   1742 O  OG  . SER C 1 65 ? 46.95500 38.43800 63.76300 1.000 32.07490 ? 63  SER C OG  1 
ATOM   1743 N  N   . LYS C 1 66 ? 43.88300 38.84300 62.34900 1.000 20.73143 ? 64  LYS C N   1 
ATOM   1744 C  CA  . LYS C 1 66 ? 43.23800 40.03100 61.80500 1.000 22.05001 ? 64  LYS C CA  1 
ATOM   1745 C  C   . LYS C 1 66 ? 41.74900 39.84400 61.55500 1.000 26.20577 ? 64  LYS C C   1 
ATOM   1746 O  O   . LYS C 1 66 ? 40.98700 40.81100 61.66700 1.000 33.43032 ? 64  LYS C O   1 
ATOM   1747 C  CB  . LYS C 1 66 ? 43.88700 40.43700 60.47000 1.000 23.09751 ? 64  LYS C CB  1 
ATOM   1748 C  CG  . LYS C 1 66 ? 45.40900 40.48200 60.44900 1.000 29.42984 ? 64  LYS C CG  1 
ATOM   1749 C  CD  . LYS C 1 66 ? 45.89600 40.80400 59.04500 1.000 32.66181 ? 64  LYS C CD  1 
ATOM   1750 C  CE  . LYS C 1 66 ? 47.35200 40.41200 58.84200 1.000 34.44624 ? 64  LYS C CE  1 
ATOM   1751 N  NZ  . LYS C 1 66 ? 47.75400 40.50200 57.40500 1.000 33.83564 ? 64  LYS C NZ  1 
ATOM   1752 N  N   . LEU C 1 67 ? 41.31800 38.63800 61.19600 1.000 20.82355 ? 65  LEU C N   1 
ATOM   1753 C  CA  . LEU C 1 67 ? 39.93600 38.38900 60.81900 1.000 21.24202 ? 65  LEU C CA  1 
ATOM   1754 C  C   . LEU C 1 67 ? 39.22100 37.54600 61.87200 1.000 20.48140 ? 65  LEU C C   1 
ATOM   1755 O  O   . LEU C 1 67 ? 39.81800 36.68100 62.51800 1.000 20.56562 ? 65  LEU C O   1 
ATOM   1756 C  CB  . LEU C 1 67 ? 39.86100 37.69100 59.46400 1.000 19.72342 ? 65  LEU C CB  1 
ATOM   1757 C  CG  . LEU C 1 67 ? 40.46600 38.52400 58.33100 1.000 22.99223 ? 65  LEU C CG  1 
ATOM   1758 C  CD1 . LEU C 1 67 ? 40.40400 37.73000 57.04800 1.000 22.13950 ? 65  LEU C CD1 1 
ATOM   1759 C  CD2 . LEU C 1 67 ? 39.71800 39.84100 58.19200 1.000 23.05013 ? 65  LEU C CD2 1 
ATOM   1760 N  N   . SER C 1 68 ? 37.93000 37.81200 62.03900 1.000 23.05540 ? 66  SER C N   1 
ATOM   1761 C  CA  . SER C 1 68 ? 37.13000 36.97600 62.91500 1.000 22.81589 ? 66  SER C CA  1 
ATOM   1762 C  C   . SER C 1 68 ? 36.97300 35.58300 62.31800 1.000 22.39742 ? 66  SER C C   1 
ATOM   1763 O  O   . SER C 1 68 ? 37.18100 35.36200 61.12600 1.000 19.06808 ? 66  SER C O   1 
ATOM   1764 C  CB  . SER C 1 68 ? 35.75000 37.59000 63.13700 1.000 21.57101 ? 66  SER C CB  1 
ATOM   1765 O  OG  . SER C 1 68 ? 34.99200 37.53200 61.94200 1.000 23.87655 ? 66  SER C OG  1 
ATOM   1766 N  N   . ALA C 1 69 ? 36.58200 34.63200 63.17000 1.000 23.33701 ? 67  ALA C N   1 
ATOM   1767 C  CA  . ALA C 1 69 ? 36.28400 33.29400 62.67600 1.000 21.65523 ? 67  ALA C CA  1 
ATOM   1768 C  C   . ALA C 1 69 ? 35.19800 33.34000 61.60700 1.000 21.81577 ? 67  ALA C C   1 
ATOM   1769 O  O   . ALA C 1 69 ? 35.28900 32.65000 60.58300 1.000 20.63668 ? 67  ALA C O   1 
ATOM   1770 C  CB  . ALA C 1 69 ? 35.86100 32.39700 63.83600 1.000 21.69207 ? 67  ALA C CB  1 
ATOM   1771 N  N   . ASP C 1 70 ? 34.18900 34.18800 61.80200 1.000 21.39467 ? 68  ASP C N   1 
ATOM   1772 C  CA  . ASP C 1 70 ? 33.13200 34.29600 60.80200 1.000 21.65786 ? 68  ASP C CA  1 
ATOM   1773 C  C   . ASP C 1 70 ? 33.66500 34.89500 59.50600 1.000 21.16833 ? 68  ASP C C   1 
ATOM   1774 O  O   . ASP C 1 70 ? 33.29600 34.44300 58.41300 1.000 20.91567 ? 68  ASP C O   1 
ATOM   1775 C  CB  . ASP C 1 70 ? 31.96300 35.13100 61.32900 1.000 22.47901 ? 68  ASP C CB  1 
ATOM   1776 C  CG  . ASP C 1 70 ? 31.07000 34.36500 62.31700 1.000 27.65595 ? 68  ASP C CG  1 
ATOM   1777 O  OD1 . ASP C 1 70 ? 31.31000 33.16200 62.56700 1.000 25.56359 ? 68  ASP C OD1 1 
ATOM   1778 O  OD2 . ASP C 1 70 ? 30.11500 34.97400 62.84700 1.000 29.34299 ? 68  ASP C OD2 1 
ATOM   1779 N  N   . ASP C 1 71 ? 34.52000 35.92000 59.60700 1.000 22.10528 ? 69  ASP C N   1 
ATOM   1780 C  CA  . ASP C 1 71 ? 35.16000 36.49900 58.42000 1.000 19.38653 ? 69  ASP C CA  1 
ATOM   1781 C  C   . ASP C 1 71 ? 35.83000 35.41900 57.57300 1.000 20.66037 ? 69  ASP C C   1 
ATOM   1782 O  O   . ASP C 1 71 ? 35.72100 35.40400 56.33800 1.000 18.81541 ? 69  ASP C O   1 
ATOM   1783 C  CB  . ASP C 1 71 ? 36.24900 37.51200 58.81400 1.000 25.16091 ? 69  ASP C CB  1 
ATOM   1784 C  CG  . ASP C 1 71 ? 35.72100 38.83400 59.35000 1.000 29.60092 ? 69  ASP C CG  1 
ATOM   1785 O  OD1 . ASP C 1 71 ? 34.57800 39.22600 59.04700 1.000 29.25351 ? 69  ASP C OD1 1 
ATOM   1786 O  OD2 . ASP C 1 71 ? 36.50500 39.49300 60.09000 1.000 28.07442 ? 69  ASP C OD2 1 
ATOM   1787 N  N   . ILE C 1 72 ? 36.58800 34.54100 58.23100 1.000 18.76014 ? 70  ILE C N   1 
ATOM   1788 C  CA  . ILE C 1 72 ? 37.40300 33.57300 57.50800 1.000 18.02848 ? 70  ILE C CA  1 
ATOM   1789 C  C   . ILE C 1 72 ? 36.52500 32.48400 56.91700 1.000 20.22874 ? 70  ILE C C   1 
ATOM   1790 O  O   . ILE C 1 72 ? 36.72700 32.05700 55.77000 1.000 19.61025 ? 70  ILE C O   1 
ATOM   1791 C  CB  . ILE C 1 72 ? 38.49200 33.00900 58.43800 1.000 18.56538 ? 70  ILE C CB  1 
ATOM   1792 C  CG1 . ILE C 1 72 ? 39.48900 34.11700 58.75500 1.000 19.18388 ? 70  ILE C CG1 1 
ATOM   1793 C  CG2 . ILE C 1 72 ? 39.20600 31.84400 57.76300 1.000 20.90251 ? 70  ILE C CG2 1 
ATOM   1794 C  CD1 . ILE C 1 72 ? 40.62200 33.67700 59.67900 1.000 21.24728 ? 70  ILE C CD1 1 
ATOM   1795 N  N   . ALA C 1 73 ? 35.51600 32.04200 57.67600 1.000 20.97357 ? 71  ALA C N   1 
ATOM   1796 C  CA  . ALA C 1 73 ? 34.56200 31.08400 57.13900 1.000 20.68143 ? 71  ALA C CA  1 
ATOM   1797 C  C   . ALA C 1 73 ? 33.87100 31.64900 55.91600 1.000 20.36297 ? 71  ALA C C   1 
ATOM   1798 O  O   . ALA C 1 73 ? 33.70100 30.94900 54.91200 1.000 21.17096 ? 71  ALA C O   1 
ATOM   1799 C  CB  . ALA C 1 73 ? 33.52400 30.70200 58.19300 1.000 23.72916 ? 71  ALA C CB  1 
ATOM   1800 N  N   . ASP C 1 74 ? 33.46200 32.91800 55.98000 1.000 23.76338 ? 72  ASP C N   1 
ATOM   1801 C  CA  . ASP C 1 74 ? 32.70900 33.48900 54.86700 1.000 20.37086 ? 72  ASP C CA  1 
ATOM   1802 C  C   . ASP C 1 74 ? 33.59800 33.68200 53.64200 1.000 19.17072 ? 72  ASP C C   1 
ATOM   1803 O  O   . ASP C 1 74 ? 33.17000 33.40800 52.51200 1.000 20.18663 ? 72  ASP C O   1 
ATOM   1804 C  CB  . ASP C 1 74 ? 32.05800 34.81200 55.28200 1.000 20.52615 ? 72  ASP C CB  1 
ATOM   1805 C  CG  . ASP C 1 74 ? 30.99400 34.64000 56.37300 1.000 29.92727 ? 72  ASP C CG  1 
ATOM   1806 O  OD1 . ASP C 1 74 ? 30.59600 33.49000 56.66200 1.000 26.38474 ? 72  ASP C OD1 1 
ATOM   1807 O  OD2 . ASP C 1 74 ? 30.56600 35.66600 56.94000 1.000 29.46143 ? 72  ASP C OD2 1 
ATOM   1808 N  N   . VAL C 1 75 ? 34.83700 34.15400 53.82800 1.000 19.91818 ? 73  VAL C N   1 
ATOM   1809 C  CA  . VAL C 1 75 ? 35.68700 34.33900 52.64800 1.000 19.74184 ? 73  VAL C CA  1 
ATOM   1810 C  C   . VAL C 1 75 ? 36.08800 32.98900 52.05800 1.000 18.64171 ? 73  VAL C C   1 
ATOM   1811 O  O   . VAL C 1 75 ? 36.22200 32.85700 50.83700 1.000 19.45233 ? 73  VAL C O   1 
ATOM   1812 C  CB  . VAL C 1 75 ? 36.91800 35.21200 52.96100 1.000 18.12586 ? 73  VAL C CB  1 
ATOM   1813 C  CG1 . VAL C 1 75 ? 37.99300 34.43600 53.72300 1.000 16.78096 ? 73  VAL C CG1 1 
ATOM   1814 C  CG2 . VAL C 1 75 ? 37.49200 35.79400 51.67300 1.000 15.92559 ? 73  VAL C CG2 1 
ATOM   1815 N  N   . ALA C 1 76 ? 36.24700 31.95900 52.89300 1.000 18.86805 ? 74  ALA C N   1 
ATOM   1816 C  CA  . ALA C 1 76 ? 36.50100 30.62300 52.35800 1.000 21.31308 ? 74  ALA C CA  1 
ATOM   1817 C  C   . ALA C 1 76 ? 35.32700 30.13300 51.51400 1.000 23.04224 ? 74  ALA C C   1 
ATOM   1818 O  O   . ALA C 1 76 ? 35.52600 29.58800 50.42000 1.000 23.69758 ? 74  ALA C O   1 
ATOM   1819 C  CB  . ALA C 1 76 ? 36.79200 29.64200 53.49300 1.000 22.81326 ? 74  ALA C CB  1 
ATOM   1820 N  N   . SER C 1 77 ? 34.09600 30.31900 52.00100 1.000 19.54182 ? 75  SER C N   1 
ATOM   1821 C  CA  . SER C 1 77 ? 32.92600 29.91600 51.22100 1.000 23.46334 ? 75  SER C CA  1 
ATOM   1822 C  C   . SER C 1 77 ? 32.83100 30.71500 49.93100 1.000 25.77941 ? 75  SER C C   1 
ATOM   1823 O  O   . SER C 1 77 ? 32.47500 30.17100 48.87600 1.000 23.29227 ? 75  SER C O   1 
ATOM   1824 C  CB  . SER C 1 77 ? 31.65000 30.09300 52.03900 1.000 23.97130 ? 75  SER C CB  1 
ATOM   1825 O  OG  . SER C 1 77 ? 31.68600 29.31900 53.22600 1.000 29.77199 ? 75  SER C OG  1 
ATOM   1826 N  N   . TYR C 1 78 ? 33.13900 32.01300 49.99900 1.000 23.27384 ? 76  TYR C N   1 
ATOM   1827 C  CA  . TYR C 1 78 ? 33.10200 32.84800 48.80100 1.000 19.42601 ? 76  TYR C CA  1 
ATOM   1828 C  C   . TYR C 1 78 ? 34.11100 32.37300 47.76500 1.000 21.09727 ? 76  TYR C C   1 
ATOM   1829 O  O   . TYR C 1 78 ? 33.78800 32.27200 46.57500 1.000 24.45820 ? 76  TYR C O   1 
ATOM   1830 C  CB  . TYR C 1 78 ? 33.36500 34.30800 49.17000 1.000 19.79711 ? 76  TYR C CB  1 
ATOM   1831 C  CG  . TYR C 1 78 ? 33.50400 35.22600 47.96800 1.000 22.22898 ? 76  TYR C CG  1 
ATOM   1832 C  CD1 . TYR C 1 78 ? 32.38100 35.70600 47.31300 1.000 23.90287 ? 76  TYR C CD1 1 
ATOM   1833 C  CD2 . TYR C 1 78 ? 34.75100 35.61000 47.50100 1.000 22.42900 ? 76  TYR C CD2 1 
ATOM   1834 C  CE1 . TYR C 1 78 ? 32.49700 36.54200 46.20900 1.000 23.71600 ? 76  TYR C CE1 1 
ATOM   1835 C  CE2 . TYR C 1 78 ? 34.88000 36.44300 46.39300 1.000 21.73682 ? 76  TYR C CE2 1 
ATOM   1836 C  CZ  . TYR C 1 78 ? 33.74400 36.90900 45.76100 1.000 25.06880 ? 76  TYR C CZ  1 
ATOM   1837 O  OH  . TYR C 1 78 ? 33.86200 37.74000 44.66700 1.000 28.30603 ? 76  TYR C OH  1 
ATOM   1838 N  N   . VAL C 1 79 ? 35.33000 32.05400 48.20200 1.000 18.83647 ? 77  VAL C N   1 
ATOM   1839 C  CA  . VAL C 1 79 ? 36.37700 31.63500 47.27100 1.000 21.86578 ? 77  VAL C CA  1 
ATOM   1840 C  C   . VAL C 1 79 ? 36.00300 30.31500 46.60600 1.000 25.02142 ? 77  VAL C C   1 
ATOM   1841 O  O   . VAL C 1 79 ? 36.12900 30.15400 45.38400 1.000 23.61073 ? 77  VAL C O   1 
ATOM   1842 C  CB  . VAL C 1 79 ? 37.73100 31.53300 47.99400 1.000 20.52878 ? 77  VAL C CB  1 
ATOM   1843 C  CG1 . VAL C 1 79 ? 38.73200 30.73100 47.15000 1.000 18.65487 ? 77  VAL C CG1 1 
ATOM   1844 C  CG2 . VAL C 1 79 ? 38.27800 32.92900 48.28300 1.000 18.88384 ? 77  VAL C CG2 1 
ATOM   1845 N  N   . LEU C 1 80 ? 35.55100 29.34400 47.40200 1.000 22.88432 ? 78  LEU C N   1 
ATOM   1846 C  CA  . LEU C 1 80 ? 35.21300 28.04700 46.83000 1.000 27.59278 ? 78  LEU C CA  1 
ATOM   1847 C  C   . LEU C 1 80 ? 34.03800 28.17500 45.87000 1.000 25.50043 ? 78  LEU C C   1 
ATOM   1848 O  O   . LEU C 1 80 ? 34.04100 27.56400 44.79600 1.000 29.59039 ? 78  LEU C O   1 
ATOM   1849 C  CB  . LEU C 1 80 ? 34.90400 27.03500 47.93300 1.000 28.68765 ? 78  LEU C CB  1 
ATOM   1850 C  CG  . LEU C 1 80 ? 34.87900 25.57500 47.47400 1.000 29.33773 ? 78  LEU C CG  1 
ATOM   1851 C  CD1 . LEU C 1 80 ? 36.25500 25.15900 46.98500 1.000 27.52435 ? 78  LEU C CD1 1 
ATOM   1852 C  CD2 . LEU C 1 80 ? 34.40500 24.65600 48.58100 1.000 31.86961 ? 78  LEU C CD2 1 
ATOM   1853 N  N   . ASP C 1 81 ? 33.04500 28.99900 46.22400 1.000 26.46896 ? 79  ASP C N   1 
ATOM   1854 C  CA  . ASP C 1 81 ? 31.89200 29.20500 45.34700 1.000 27.95072 ? 79  ASP C CA  1 
ATOM   1855 C  C   . ASP C 1 81 ? 32.30400 29.87200 44.03800 1.000 29.59829 ? 79  ASP C C   1 
ATOM   1856 O  O   . ASP C 1 81 ? 31.83900 29.47600 42.96300 1.000 31.27480 ? 79  ASP C O   1 
ATOM   1857 C  CB  . ASP C 1 81 ? 30.82000 30.03400 46.06900 1.000 26.34526 ? 79  ASP C CB  1 
ATOM   1858 C  CG  . ASP C 1 81 ? 29.54700 30.21400 45.23300 1.000 35.64112 ? 79  ASP C CG  1 
ATOM   1859 O  OD1 . ASP C 1 81 ? 28.76700 29.24700 45.11500 1.000 34.73048 ? 79  ASP C OD1 1 
ATOM   1860 O  OD2 . ASP C 1 81 ? 29.32000 31.32800 44.70600 1.000 34.75417 ? 79  ASP C OD2 1 
ATOM   1861 N  N   . GLN C 1 82 ? 33.18000 30.88100 44.10300 1.000 24.09236 ? 80  GLN C N   1 
ATOM   1862 C  CA  . GLN C 1 82 ? 33.64700 31.52000 42.87500 1.000 27.89282 ? 80  GLN C CA  1 
ATOM   1863 C  C   . GLN C 1 82 ? 34.41500 30.53800 42.00300 1.000 29.15350 ? 80  GLN C C   1 
ATOM   1864 O  O   . GLN C 1 82 ? 34.26300 30.54100 40.77600 1.000 29.14297 ? 80  GLN C O   1 
ATOM   1865 C  CB  . GLN C 1 82 ? 34.52000 32.73500 43.19600 1.000 24.32134 ? 80  GLN C CB  1 
ATOM   1866 C  CG  . GLN C 1 82 ? 33.75300 33.93600 43.71400 1.000 25.83468 ? 80  GLN C CG  1 
ATOM   1867 C  CD  . GLN C 1 82 ? 32.73700 34.44100 42.70800 1.000 32.50916 ? 80  GLN C CD  1 
ATOM   1868 O  OE1 . GLN C 1 82 ? 33.08000 34.73300 41.56200 1.000 32.62496 ? 80  GLN C OE1 1 
ATOM   1869 N  NE2 . GLN C 1 82 ? 31.48100 34.53100 43.12700 1.000 30.45628 ? 80  GLN C NE2 1 
ATOM   1870 N  N   . SER C 1 83 ? 35.24700 29.68700 42.61500 1.000 25.72677 ? 81  SER C N   1 
ATOM   1871 C  CA  . SER C 1 83 ? 36.03100 28.74300 41.82200 1.000 25.70835 ? 81  SER C CA  1 
ATOM   1872 C  C   . SER C 1 83 ? 35.13000 27.77500 41.07000 1.000 33.48296 ? 81  SER C C   1 
ATOM   1873 O  O   . SER C 1 83 ? 35.46700 27.35800 39.95600 1.000 35.18843 ? 81  SER C O   1 
ATOM   1874 C  CB  . SER C 1 83 ? 37.00800 27.96900 42.70900 1.000 28.37709 ? 81  SER C CB  1 
ATOM   1875 O  OG  . SER C 1 83 ? 36.32200 26.98900 43.46800 1.000 30.96161 ? 81  SER C OG  1 
ATOM   1876 N  N   . GLU C 1 84 ? 33.98600 27.40800 41.65600 1.000 31.05109 ? 82  GLU C N   1 
ATOM   1877 C  CA  . GLU C 1 84 ? 33.03500 26.55900 40.94000 1.000 34.46992 ? 82  GLU C CA  1 
ATOM   1878 C  C   . GLU C 1 84 ? 32.36600 27.31700 39.80100 1.000 38.22827 ? 82  GLU C C   1 
ATOM   1879 O  O   . GLU C 1 84 ? 32.10900 26.74500 38.73500 1.000 38.36249 ? 82  GLU C O   1 
ATOM   1880 C  CB  . GLU C 1 84 ? 31.97400 26.00200 41.89700 1.000 32.84078 ? 82  GLU C CB  1 
ATOM   1881 C  CG  . GLU C 1 84 ? 32.50600 25.31200 43.15500 1.000 39.62317 ? 82  GLU C CG  1 
ATOM   1882 C  CD  . GLU C 1 84 ? 33.44100 24.13500 42.87700 1.000 49.16642 ? 82  GLU C CD  1 
ATOM   1883 O  OE1 . GLU C 1 84 ? 33.45400 23.61700 41.73500 1.000 53.75908 ? 82  GLU C OE1 1 
ATOM   1884 O  OE2 . GLU C 1 84 ? 34.17200 23.72500 43.81400 1.000 50.63239 ? 82  GLU C OE2 1 
ATOM   1885 N  N   . LYS C 1 85 ? 32.06800 28.60200 40.00700 1.000 36.14118 ? 83  LYS C N   1 
ATOM   1886 C  CA  . LYS C 1 85 ? 31.41400 29.39100 38.96900 1.000 36.70703 ? 83  LYS C CA  1 
ATOM   1887 C  C   . LYS C 1 85 ? 32.37700 29.83900 37.87600 1.000 41.28390 ? 83  LYS C C   1 
ATOM   1888 O  O   . LYS C 1 85 ? 31.93100 30.14400 36.76400 1.000 43.26835 ? 83  LYS C O   1 
ATOM   1889 C  CB  . LYS C 1 85 ? 30.73100 30.61600 39.58200 1.000 36.31751 ? 83  LYS C CB  1 
ATOM   1890 C  CG  . LYS C 1 85 ? 29.58100 30.29800 40.51200 1.000 38.89940 ? 83  LYS C CG  1 
ATOM   1891 C  CD  . LYS C 1 85 ? 29.00000 31.57600 41.09900 1.000 40.14429 ? 83  LYS C CD  1 
ATOM   1892 C  CE  . LYS C 1 85 ? 27.78300 31.28800 41.97300 1.000 43.71840 ? 83  LYS C CE  1 
ATOM   1893 N  NZ  . LYS C 1 85 ? 27.30000 32.51800 42.66900 1.000 48.96640 ? 83  LYS C NZ  1 
ATOM   1894 N  N   . GLY C 1 86 ? 33.67300 29.89700 38.16400 1.000 36.61755 ? 84  GLY C N   1 
ATOM   1895 C  CA  . GLY C 1 86 ? 34.67100 30.22200 37.16700 1.000 38.22827 ? 84  GLY C CA  1 
ATOM   1896 C  C   . GLY C 1 86 ? 35.24600 31.61800 37.22800 1.000 40.21798 ? 84  GLY C C   1 
ATOM   1897 O  O   . GLY C 1 86 ? 35.90500 32.03100 36.26400 1.000 42.53405 ? 84  GLY C O   1 
ATOM   1898 N  N   . TRP C 1 87 ? 35.03700 32.34500 38.32800 1.000 35.18053 ? 85  TRP C N   1 
ATOM   1899 C  CA  . TRP C 1 87 ? 35.49100 33.72800 38.48200 1.000 33.79616 ? 85  TRP C CA  1 
ATOM   1900 C  C   . TRP C 1 87 ? 35.13800 34.55500 37.24500 1.000 39.12311 ? 85  TRP C C   1 
ATOM   1901 O  O   . TRP C 1 87 ? 35.99300 35.14400 36.58700 1.000 45.23437 ? 85  TRP C O   1 
ATOM   1902 C  CB  . TRP C 1 87 ? 36.99600 33.78900 38.76700 1.000 30.04044 ? 85  TRP C CB  1 
ATOM   1903 C  CG  . TRP C 1 87 ? 37.42300 33.17400 40.07900 1.000 29.13770 ? 85  TRP C CG  1 
ATOM   1904 C  CD1 . TRP C 1 87 ? 37.90800 31.91100 40.27600 1.000 27.69016 ? 85  TRP C CD1 1 
ATOM   1905 C  CD2 . TRP C 1 87 ? 37.43500 33.81400 41.36900 1.000 25.62412 ? 85  TRP C CD2 1 
ATOM   1906 N  NE1 . TRP C 1 87 ? 38.21800 31.72500 41.61200 1.000 22.14739 ? 85  TRP C NE1 1 
ATOM   1907 C  CE2 . TRP C 1 87 ? 37.92400 32.87200 42.29900 1.000 23.02381 ? 85  TRP C CE2 1 
ATOM   1908 C  CE3 . TRP C 1 87 ? 37.05900 35.08200 41.82500 1.000 22.72378 ? 85  TRP C CE3 1 
ATOM   1909 C  CZ2 . TRP C 1 87 ? 38.05300 33.16200 43.66200 1.000 20.65248 ? 85  TRP C CZ2 1 
ATOM   1910 C  CZ3 . TRP C 1 87 ? 37.19400 35.37200 43.17500 1.000 19.59972 ? 85  TRP C CZ3 1 
ATOM   1911 C  CH2 . TRP C 1 87 ? 37.69100 34.41700 44.07600 1.000 21.65523 ? 85  TRP C CH2 1 
ATOM   1912 N  N   . GLN C 1 88 ? 33.84600 34.57400 36.92600 1.000 49.50857 ? 86  GLN C N   1 
ATOM   1913 C  CA  . GLN C 1 88 ? 33.37100 35.21100 35.70500 1.000 51.86675 ? 86  GLN C CA  1 
ATOM   1914 C  C   . GLN C 1 88 ? 33.06800 36.69600 35.89700 1.000 55.72510 ? 86  GLN C C   1 
ATOM   1915 O  O   . GLN C 1 88 ? 32.37700 37.29400 35.06200 1.000 58.99128 ? 86  GLN C O   1 
ATOM   1916 C  CB  . GLN C 1 88 ? 32.14300 34.46900 35.17600 1.000 51.77726 ? 86  GLN C CB  1 
ATOM   1917 C  CG  . GLN C 1 88 ? 32.26600 32.94300 35.25100 1.000 49.64016 ? 86  GLN C CG  1 
ATOM   1918 C  CD  . GLN C 1 88 ? 32.49400 32.28600 33.89800 1.000 53.53537 ? 86  GLN C CD  1 
ATOM   1919 O  OE1 . GLN C 1 88 ? 32.56000 32.95800 32.86700 1.000 62.54434 ? 86  GLN C OE1 1 
ATOM   1920 N  NE2 . GLN C 1 88 ? 32.60500 30.95900 33.89900 1.000 52.42734 ? 86  GLN C NE2 1 
ATOM   1921 N  N   . GLY D 1 1  ? 84.09700 32.25500 25.39500 1.000 45.03961 ? -1  GLY D N   1 
ATOM   1922 C  CA  . GLY D 1 1  ? 85.11200 32.57400 26.38500 1.000 46.15817 ? -1  GLY D CA  1 
ATOM   1923 C  C   . GLY D 1 1  ? 84.79400 33.83600 27.16400 1.000 42.85251 ? -1  GLY D C   1 
ATOM   1924 O  O   . GLY D 1 1  ? 83.62900 34.15000 27.39700 1.000 40.06007 ? -1  GLY D O   1 
ATOM   1925 N  N   . SER D 1 2  ? 85.83400 34.57300 27.56300 1.000 40.93912 ? 0   SER D N   1 
ATOM   1926 C  CA  . SER D 1 2  ? 85.60800 35.78700 28.34300 1.000 37.34395 ? 0   SER D CA  1 
ATOM   1927 C  C   . SER D 1 2  ? 84.92500 36.86600 27.50600 1.000 37.77295 ? 0   SER D C   1 
ATOM   1928 O  O   . SER D 1 2  ? 84.07000 37.60200 28.01500 1.000 31.45114 ? 0   SER D O   1 
ATOM   1929 C  CB  . SER D 1 2  ? 86.92700 36.30200 28.91700 1.000 35.78061 ? 0   SER D CB  1 
ATOM   1930 O  OG  . SER D 1 2  ? 87.82400 36.64300 27.87700 1.000 43.11306 ? 0   SER D OG  1 
ATOM   1931 N  N   . ALA D 1 3  ? 85.29200 36.98500 26.22400 1.000 34.31727 ? 1   ALA D N   1 
ATOM   1932 C  CA  . ALA D 1 3  ? 84.64100 37.97200 25.36700 1.000 33.65140 ? 1   ALA D CA  1 
ATOM   1933 C  C   . ALA D 1 3  ? 83.14600 37.68400 25.23200 1.000 33.77773 ? 1   ALA D C   1 
ATOM   1934 O  O   . ALA D 1 3  ? 82.31100 38.59000 25.36400 1.000 29.79305 ? 1   ALA D O   1 
ATOM   1935 C  CB  . ALA D 1 3  ? 85.31400 38.00100 23.99400 1.000 35.20685 ? 1   ALA D CB  1 
ATOM   1936 N  N   . ASP D 1 4  ? 82.79300 36.42200 24.97200 1.000 35.51478 ? 2   ASP D N   1 
ATOM   1937 C  CA  . ASP D 1 4  ? 81.38500 36.05100 24.84400 1.000 34.58836 ? 2   ASP D CA  1 
ATOM   1938 C  C   . ASP D 1 4  ? 80.61200 36.38600 26.11500 1.000 33.15398 ? 2   ASP D C   1 
ATOM   1939 O  O   . ASP D 1 4  ? 79.52700 36.97500 26.05300 1.000 32.97501 ? 2   ASP D O   1 
ATOM   1940 C  CB  . ASP D 1 4  ? 81.25200 34.56100 24.51500 1.000 34.65679 ? 2   ASP D CB  1 
ATOM   1941 C  CG  . ASP D 1 4  ? 81.77400 34.20800 23.13100 1.000 40.72857 ? 2   ASP D CG  1 
ATOM   1942 O  OD1 . ASP D 1 4  ? 81.84500 35.09900 22.25500 1.000 38.12036 ? 2   ASP D OD1 1 
ATOM   1943 O  OD2 . ASP D 1 4  ? 82.11700 33.02400 22.91700 1.000 47.72414 ? 2   ASP D OD2 1 
ATOM   1944 N  N   . LEU D 1 5  ? 81.16100 36.02500 27.28300 1.000 30.18520 ? 3   LEU D N   1 
ATOM   1945 C  CA  . LEU D 1 5  ? 80.45000 36.25400 28.54100 1.000 27.09535 ? 3   LEU D CA  1 
ATOM   1946 C  C   . LEU D 1 5  ? 80.27700 37.73800 28.82900 1.000 26.22420 ? 3   LEU D C   1 
ATOM   1947 O  O   . LEU D 1 5  ? 79.24500 38.15300 29.36600 1.000 24.66085 ? 3   LEU D O   1 
ATOM   1948 C  CB  . LEU D 1 5  ? 81.18300 35.58100 29.70100 1.000 30.28784 ? 3   LEU D CB  1 
ATOM   1949 C  CG  . LEU D 1 5  ? 81.19900 34.05600 29.79900 1.000 33.80668 ? 3   LEU D CG  1 
ATOM   1950 C  CD1 . LEU D 1 5  ? 82.03500 33.60200 30.99400 1.000 35.67533 ? 3   LEU D CD1 1 
ATOM   1951 C  CD2 . LEU D 1 5  ? 79.79000 33.51000 29.90300 1.000 30.52734 ? 3   LEU D CD2 1 
ATOM   1952 N  N   . ALA D 1 6  ? 81.28300 38.55500 28.50400 1.000 27.12957 ? 4   ALA D N   1 
ATOM   1953 C  CA  . ALA D 1 6  ? 81.18400 39.98400 28.78600 1.000 26.62688 ? 4   ALA D CA  1 
ATOM   1954 C  C   . ALA D 1 6  ? 80.10200 40.63200 27.93200 1.000 28.09021 ? 4   ALA D C   1 
ATOM   1955 O  O   . ALA D 1 6  ? 79.28100 41.41700 28.42900 1.000 24.24501 ? 4   ALA D O   1 
ATOM   1956 C  CB  . ALA D 1 6  ? 82.53900 40.66000 28.55000 1.000 25.28461 ? 4   ALA D CB  1 
ATOM   1957 N  N   . HIS D 1 7  ? 80.08000 40.31200 26.64100 1.000 25.51359 ? 5   HIS D N   1 
ATOM   1958 C  CA  . HIS D 1 7  ? 79.02100 40.83400 25.79200 1.000 27.71122 ? 5   HIS D CA  1 
ATOM   1959 C  C   . HIS D 1 7  ? 77.67500 40.24700 26.19000 1.000 24.23448 ? 5   HIS D C   1 
ATOM   1960 O  O   . HIS D 1 7  ? 76.65600 40.94200 26.15700 1.000 22.66588 ? 5   HIS D O   1 
ATOM   1961 C  CB  . HIS D 1 7  ? 79.32400 40.54400 24.32500 1.000 25.00826 ? 5   HIS D CB  1 
ATOM   1962 C  CG  . HIS D 1 7  ? 78.27700 41.06200 23.39000 1.000 25.69782 ? 5   HIS D CG  1 
ATOM   1963 N  ND1 . HIS D 1 7  ? 77.85800 42.37400 23.40400 1.000 31.81434 ? 5   HIS D ND1 1 
ATOM   1964 C  CD2 . HIS D 1 7  ? 77.54200 40.44100 22.43800 1.000 27.52698 ? 5   HIS D CD2 1 
ATOM   1965 C  CE1 . HIS D 1 7  ? 76.91600 42.54300 22.49300 1.000 30.42996 ? 5   HIS D CE1 1 
ATOM   1966 N  NE2 . HIS D 1 7  ? 76.71100 41.38600 21.88900 1.000 29.96412 ? 5   HIS D NE2 1 
ATOM   1967 N  N   . GLY D 1 8  ? 77.65700 38.96700 26.57600 1.000 24.39503 ? 6   GLY D N   1 
ATOM   1968 C  CA  . GLY D 1 8  ? 76.41600 38.36300 27.03800 1.000 20.06293 ? 6   GLY D CA  1 
ATOM   1969 C  C   . GLY D 1 8  ? 75.82200 39.10400 28.21800 1.000 21.53153 ? 6   GLY D C   1 
ATOM   1970 O  O   . GLY D 1 8  ? 74.59800 39.27100 28.31600 1.000 18.58644 ? 6   GLY D O   1 
ATOM   1971 N  N   . GLY D 1 9  ? 76.67600 39.55500 29.13800 1.000 20.42877 ? 7   GLY D N   1 
ATOM   1972 C  CA  . GLY D 1 9  ? 76.18400 40.32000 30.26900 1.000 22.05791 ? 7   GLY D CA  1 
ATOM   1973 C  C   . GLY D 1 9  ? 75.55900 41.63400 29.85400 1.000 19.47076 ? 7   GLY D C   1 
ATOM   1974 O  O   . GLY D 1 9  ? 74.57800 42.07400 30.45100 1.000 19.91818 ? 7   GLY D O   1 
ATOM   1975 N  N   . GLN D 1 10 ? 76.11700 42.27900 28.82500 1.000 21.38151 ? 8   GLN D N   1 
ATOM   1976 C  CA  . GLN D 1 10 ? 75.53900 43.53500 28.34800 1.000 23.73179 ? 8   GLN D CA  1 
ATOM   1977 C  C   . GLN D 1 10 ? 74.20500 43.29800 27.65000 1.000 23.77127 ? 8   GLN D C   1 
ATOM   1978 O  O   . GLN D 1 10 ? 73.25200 44.06900 27.84000 1.000 20.15242 ? 8   GLN D O   1 
ATOM   1979 C  CB  . GLN D 1 10 ? 76.52400 44.25000 27.41700 1.000 29.68251 ? 8   GLN D CB  1 
ATOM   1980 C  CG  . GLN D 1 10 ? 77.84300 44.66400 28.09000 1.000 33.42243 ? 8   GLN D CG  1 
ATOM   1981 C  CD  . GLN D 1 10 ? 77.68200 45.83500 29.05800 1.000 41.23916 ? 8   GLN D CD  1 
ATOM   1982 O  OE1 . GLN D 1 10 ? 76.68700 46.56000 29.01500 1.000 49.63227 ? 8   GLN D OE1 1 
ATOM   1983 N  NE2 . GLN D 1 10 ? 78.66800 46.02700 29.93000 1.000 47.26619 ? 8   GLN D NE2 1 
ATOM   1984 N  N   . VAL D 1 11 ? 74.11500 42.24300 26.83700 1.000 20.77618 ? 9   VAL D N   1 
ATOM   1985 C  CA  . VAL D 1 11 ? 72.82400 41.87300 26.25100 1.000 18.28640 ? 9   VAL D CA  1 
ATOM   1986 C  C   . VAL D 1 11 ? 71.81500 41.56000 27.35000 1.000 17.78897 ? 9   VAL D C   1 
ATOM   1987 O  O   . VAL D 1 11 ? 70.64400 41.94700 27.26500 1.000 16.23353 ? 9   VAL D O   1 
ATOM   1988 C  CB  . VAL D 1 11 ? 72.99700 40.68600 25.28600 1.000 17.66791 ? 9   VAL D CB  1 
ATOM   1989 C  CG1 . VAL D 1 11 ? 71.64500 40.20600 24.78000 1.000 19.05492 ? 9   VAL D CG1 1 
ATOM   1990 C  CG2 . VAL D 1 11 ? 73.89800 41.08300 24.10900 1.000 20.46035 ? 9   VAL D CG2 1 
ATOM   1991 N  N   . PHE D 1 12 ? 72.25800 40.86800 28.40300 1.000 15.78347 ? 10  PHE D N   1 
ATOM   1992 C  CA  . PHE D 1 12 ? 71.35200 40.50900 29.48900 1.000 17.03889 ? 10  PHE D CA  1 
ATOM   1993 C  C   . PHE D 1 12 ? 70.82200 41.75000 30.19500 1.000 16.48619 ? 10  PHE D C   1 
ATOM   1994 O  O   . PHE D 1 12 ? 69.62200 41.87100 30.44300 1.000 16.42565 ? 10  PHE D O   1 
ATOM   1995 C  CB  . PHE D 1 12 ? 72.05700 39.59900 30.49100 1.000 17.99163 ? 10  PHE D CB  1 
ATOM   1996 C  CG  . PHE D 1 12 ? 71.13900 39.05500 31.54800 1.000 17.19680 ? 10  PHE D CG  1 
ATOM   1997 C  CD1 . PHE D 1 12 ? 70.92300 39.75100 32.73100 1.000 17.44946 ? 10  PHE D CD1 1 
ATOM   1998 C  CD2 . PHE D 1 12 ? 70.48400 37.84500 31.35400 1.000 16.01771 ? 10  PHE D CD2 1 
ATOM   1999 C  CE1 . PHE D 1 12 ? 70.05500 39.23900 33.70700 1.000 18.24692 ? 10  PHE D CE1 1 
ATOM   2000 C  CE2 . PHE D 1 12 ? 69.62800 37.33200 32.32200 1.000 15.16498 ? 10  PHE D CE2 1 
ATOM   2001 C  CZ  . PHE D 1 12 ? 69.42200 38.03300 33.50400 1.000 17.83635 ? 10  PHE D CZ  1 
ATOM   2002 N  N   . SER D 1 13 ? 71.71100 42.68400 30.54100 1.000 18.61802 ? 11  SER D N   1 
ATOM   2003 C  CA  . SER D 1 13 ? 71.24400 43.90600 31.18600 1.000 20.74722 ? 11  SER D CA  1 
ATOM   2004 C  C   . SER D 1 13 ? 70.24200 44.65700 30.31300 1.000 22.83432 ? 11  SER D C   1 
ATOM   2005 O  O   . SER D 1 13 ? 69.23700 45.17800 30.81700 1.000 20.98146 ? 11  SER D O   1 
ATOM   2006 C  CB  . SER D 1 13 ? 72.43000 44.80500 31.52000 1.000 23.24752 ? 11  SER D CB  1 
ATOM   2007 O  OG  . SER D 1 13 ? 71.95500 46.07500 31.92100 1.000 34.37517 ? 11  SER D OG  1 
ATOM   2008 N  N   . ALA D 1 14 ? 70.49600 44.72600 28.99900 1.000 19.82606 ? 12  ALA D N   1 
ATOM   2009 C  CA  . ALA D 1 14 ? 69.64800 45.52500 28.12100 1.000 16.67568 ? 12  ALA D CA  1 
ATOM   2010 C  C   . ALA D 1 14 ? 68.32700 44.85200 27.78800 1.000 19.82606 ? 12  ALA D C   1 
ATOM   2011 O  O   . ALA D 1 14 ? 67.35600 45.55000 27.47900 1.000 22.09739 ? 12  ALA D O   1 
ATOM   2012 C  CB  . ALA D 1 14 ? 70.39300 45.86000 26.82100 1.000 24.75560 ? 12  ALA D CB  1 
ATOM   2013 N  N   . ASN D 1 15 ? 68.24800 43.52500 27.84700 1.000 17.01783 ? 13  ASN D N   1 
ATOM   2014 C  CA  . ASN D 1 15 ? 67.09800 42.82300 27.28700 1.000 15.59661 ? 13  ASN D CA  1 
ATOM   2015 C  C   . ASN D 1 15 ? 66.40700 41.87500 28.24800 1.000 14.40699 ? 13  ASN D C   1 
ATOM   2016 O  O   . ASN D 1 15 ? 65.26600 41.48100 27.97800 1.000 13.79376 ? 13  ASN D O   1 
ATOM   2017 C  CB  . ASN D 1 15 ? 67.51800 42.01700 26.05300 1.000 15.69399 ? 13  ASN D CB  1 
ATOM   2018 C  CG  . ASN D 1 15 ? 67.96400 42.89700 24.90300 1.000 17.48104 ? 13  ASN D CG  1 
ATOM   2019 O  OD1 . ASN D 1 15 ? 67.13000 43.44600 24.18000 1.000 17.53105 ? 13  ASN D OD1 1 
ATOM   2020 N  ND2 . ASN D 1 15 ? 69.28100 43.03200 24.72000 1.000 17.50999 ? 13  ASN D ND2 1 
ATOM   2021 N  N   . CYS D 1 16 ? 67.06000 41.45700 29.31900 1.000 14.88073 ? 14  CYS D N   1 
ATOM   2022 C  CA  . CYS D 1 16 ? 66.54900 40.38700 30.16500 1.000 12.05671 ? 14  CYS D CA  1 
ATOM   2023 C  C   . CYS D 1 16 ? 66.35200 40.80200 31.60500 1.000 12.09092 ? 14  CYS D C   1 
ATOM   2024 O  O   . CYS D 1 16 ? 65.45700 40.27200 32.26300 1.000 13.98062 ? 14  CYS D O   1 
ATOM   2025 C  CB  . CYS D 1 16 ? 67.51200 39.18400 30.13500 1.000 13.93325 ? 14  CYS D CB  1 
ATOM   2026 S  SG  . CYS D 1 16 ? 68.16800 38.78400 28.47100 1.000 13.04630 ? 14  CYS D SG  1 
ATOM   2027 N  N   . ALA D 1 17 ? 67.16200 41.73600 32.10400 1.000 14.18591 ? 15  ALA D N   1 
ATOM   2028 C  CA  . ALA D 1 17 ? 67.13500 42.06600 33.52800 1.000 12.83575 ? 15  ALA D CA  1 
ATOM   2029 C  C   . ALA D 1 17 ? 65.79300 42.66100 33.94900 1.000 16.25458 ? 15  ALA D C   1 
ATOM   2030 O  O   . ALA D 1 17 ? 65.42000 42.57400 35.13000 1.000 16.58094 ? 15  ALA D O   1 
ATOM   2031 C  CB  . ALA D 1 17 ? 68.27800 43.02200 33.85500 1.000 17.37577 ? 15  ALA D CB  1 
ATOM   2032 N  N   . ALA D 1 18 ? 65.06200 43.27200 33.01200 1.000 15.84400 ? 16  ALA D N   1 
ATOM   2033 C  CA  . ALA D 1 18 ? 63.73700 43.79000 33.33900 1.000 13.93588 ? 16  ALA D CA  1 
ATOM   2034 C  C   . ALA D 1 18 ? 62.86200 42.72200 33.97800 1.000 16.77570 ? 16  ALA D C   1 
ATOM   2035 O  O   . ALA D 1 18 ? 62.04200 43.03200 34.84800 1.000 20.02345 ? 16  ALA D O   1 
ATOM   2036 C  CB  . ALA D 1 18 ? 63.05700 44.34800 32.08100 1.000 15.21761 ? 16  ALA D CB  1 
ATOM   2037 N  N   . CYS D 1 19 ? 63.04000 41.45800 33.59300 1.000 13.52531 ? 17  CYS D N   1 
ATOM   2038 C  CA  . CYS D 1 19 ? 62.28600 40.37000 34.19400 1.000 10.95658 ? 17  CYS D CA  1 
ATOM   2039 C  C   . CYS D 1 19 ? 63.13400 39.41600 35.01400 1.000 14.12538 ? 17  CYS D C   1 
ATOM   2040 O  O   . CYS D 1 19 ? 62.61100 38.80200 35.95200 1.000 14.71492 ? 17  CYS D O   1 
ATOM   2041 C  CB  . CYS D 1 19 ? 61.55900 39.56300 33.11400 1.000 12.38570 ? 17  CYS D CB  1 
ATOM   2042 S  SG  . CYS D 1 19 ? 60.33600 40.53300 32.24100 1.000 13.22790 ? 17  CYS D SG  1 
ATOM   2043 N  N   . HIS D 1 20 ? 64.43000 39.29500 34.71100 1.000 13.33581 ? 18  HIS D N   1 
ATOM   2044 C  CA  . HIS D 1 20 ? 65.28000 38.26700 35.31100 1.000 14.03326 ? 18  HIS D CA  1 
ATOM   2045 C  C   . HIS D 1 20 ? 66.42200 38.83600 36.14600 1.000 15.55450 ? 18  HIS D C   1 
ATOM   2046 O  O   . HIS D 1 20 ? 67.44200 38.15700 36.33100 1.000 15.60713 ? 18  HIS D O   1 
ATOM   2047 C  CB  . HIS D 1 20 ? 65.85900 37.34900 34.22700 1.000 11.88827 ? 18  HIS D CB  1 
ATOM   2048 C  CG  . HIS D 1 20 ? 64.83300 36.52100 33.51200 1.000 11.07764 ? 18  HIS D CG  1 
ATOM   2049 N  ND1 . HIS D 1 20 ? 64.02000 35.60700 34.15200 1.000 12.84365 ? 18  HIS D ND1 1 
ATOM   2050 C  CD2 . HIS D 1 20 ? 64.51900 36.44600 32.19500 1.000 12.34885 ? 18  HIS D CD2 1 
ATOM   2051 C  CE1 . HIS D 1 20 ? 63.24600 35.01000 33.25900 1.000 14.57806 ? 18  HIS D CE1 1 
ATOM   2052 N  NE2 . HIS D 1 20 ? 63.52100 35.50900 32.06600 1.000 13.10420 ? 18  HIS D NE2 1 
ATOM   2053 N  N   . LEU D 1 21 ? 66.27900 40.06300 36.64500 1.000 14.18591 ? 19  LEU D N   1 
ATOM   2054 C  CA  . LEU D 1 21 ? 67.28700 40.67500 37.50600 1.000 14.41489 ? 19  LEU D CA  1 
ATOM   2055 C  C   . LEU D 1 21 ? 67.81300 39.68800 38.54500 1.000 16.34670 ? 19  LEU D C   1 
ATOM   2056 O  O   . LEU D 1 21 ? 67.03800 39.03500 39.25100 1.000 16.24932 ? 19  LEU D O   1 
ATOM   2057 C  CB  . LEU D 1 21 ? 66.68500 41.90000 38.20000 1.000 15.92559 ? 19  LEU D CB  1 
ATOM   2058 C  CG  . LEU D 1 21 ? 67.69200 42.67300 39.04200 1.000 17.75739 ? 19  LEU D CG  1 
ATOM   2059 C  CD1 . LEU D 1 21 ? 68.69800 43.39100 38.15100 1.000 18.96806 ? 19  LEU D CD1 1 
ATOM   2060 C  CD2 . LEU D 1 21 ? 66.96100 43.64800 39.93800 1.000 20.98146 ? 19  LEU D CD2 1 
ATOM   2061 N  N   . GLY D 1 22 ? 69.14000 39.55200 38.59900 1.000 16.46513 ? 20  GLY D N   1 
ATOM   2062 C  CA  . GLY D 1 22 ? 69.75400 38.63700 39.54600 1.000 21.40520 ? 20  GLY D CA  1 
ATOM   2063 C  C   . GLY D 1 22 ? 69.32000 37.19700 39.38700 1.000 21.17096 ? 20  GLY D C   1 
ATOM   2064 O  O   . GLY D 1 22 ? 69.36200 36.43300 40.35400 1.000 21.31308 ? 20  GLY D O   1 
ATOM   2065 N  N   . GLY D 1 23 ? 68.88500 36.80900 38.19200 1.000 17.85740 ? 21  GLY D N   1 
ATOM   2066 C  CA  . GLY D 1 23 ? 68.49700 35.43200 37.93900 1.000 17.78897 ? 21  GLY D CA  1 
ATOM   2067 C  C   . GLY D 1 23 ? 67.10500 35.05500 38.38700 1.000 17.60474 ? 21  GLY D C   1 
ATOM   2068 O  O   . GLY D 1 23 ? 66.76700 33.86500 38.36200 1.000 15.50186 ? 21  GLY D O   1 
ATOM   2069 N  N   . ARG D 1 24 ? 66.28100 36.02000 38.78000 1.000 16.70727 ? 22  ARG D N   1 
ATOM   2070 C  CA  . ARG D 1 24 ? 64.93100 35.73600 39.25500 1.000 14.46752 ? 22  ARG D CA  1 
ATOM   2071 C  C   . ARG D 1 24 ? 63.97000 35.72800 38.06900 1.000 15.21498 ? 22  ARG D C   1 
ATOM   2072 O  O   . ARG D 1 24 ? 64.39600 35.64700 36.91200 1.000 14.41752 ? 22  ARG D O   1 
ATOM   2073 C  CB  . ARG D 1 24 ? 64.51500 36.76900 40.30600 1.000 16.22826 ? 22  ARG D CB  1 
ATOM   2074 C  CG  . ARG D 1 24 ? 65.53900 36.99500 41.39100 1.000 23.73179 ? 22  ARG D CG  1 
ATOM   2075 C  CD  . ARG D 1 24 ? 65.76400 35.74000 42.15900 1.000 27.46645 ? 22  ARG D CD  1 
ATOM   2076 N  NE  . ARG D 1 24 ? 64.61100 35.40900 42.98500 1.000 33.20924 ? 22  ARG D NE  1 
ATOM   2077 C  CZ  . ARG D 1 24 ? 64.65100 34.50600 43.95400 1.000 31.40113 ? 22  ARG D CZ  1 
ATOM   2078 N  NH1 . ARG D 1 24 ? 65.76600 33.84500 44.23100 1.000 31.27217 ? 22  ARG D NH1 1 
ATOM   2079 N  NH2 . ARG D 1 24 ? 63.55100 34.26300 44.65800 1.000 29.34826 ? 22  ARG D NH2 1 
ATOM   2080 N  N   . ASN D 1 25 ? 62.66700 35.82900 38.34200 1.000 14.75177 ? 23  ASN D N   1 
ATOM   2081 C  CA  . ASN D 1 25 ? 61.66900 35.94800 37.27500 1.000 11.47243 ? 23  ASN D CA  1 
ATOM   2082 C  C   . ASN D 1 25 ? 60.47200 36.70400 37.85000 1.000 16.08877 ? 23  ASN D C   1 
ATOM   2083 O  O   . ASN D 1 25 ? 59.63900 36.11500 38.55100 1.000 15.48607 ? 23  ASN D O   1 
ATOM   2084 C  CB  . ASN D 1 25 ? 61.25700 34.58600 36.74000 1.000 12.94103 ? 23  ASN D CB  1 
ATOM   2085 C  CG  . ASN D 1 25 ? 60.31300 34.69000 35.53300 1.000 15.98876 ? 23  ASN D CG  1 
ATOM   2086 O  OD1 . ASN D 1 25 ? 59.59900 35.67600 35.37100 1.000 15.37026 ? 23  ASN D OD1 1 
ATOM   2087 N  ND2 . ASN D 1 25 ? 60.31100 33.65900 34.69500 1.000 13.04893 ? 23  ASN D ND2 1 
ATOM   2088 N  N   . VAL D 1 26 ? 60.36900 37.99300 37.50500 1.000 12.82259 ? 24  VAL D N   1 
ATOM   2089 C  CA  . VAL D 1 26 ? 59.34600 38.84900 38.09700 1.000 15.35974 ? 24  VAL D CA  1 
ATOM   2090 C  C   . VAL D 1 26 ? 57.94500 38.43300 37.68200 1.000 17.92057 ? 24  VAL D C   1 
ATOM   2091 O  O   . VAL D 1 26 ? 56.98300 38.72700 38.40000 1.000 13.86219 ? 24  VAL D O   1 
ATOM   2092 C  CB  . VAL D 1 26 ? 59.62400 40.32700 37.73800 1.000 14.99653 ? 24  VAL D CB  1 
ATOM   2093 C  CG1 . VAL D 1 26 ? 59.23600 40.63000 36.30200 1.000 16.41249 ? 24  VAL D CG1 1 
ATOM   2094 C  CG2 . VAL D 1 26 ? 58.91200 41.27400 38.70500 1.000 17.33892 ? 24  VAL D CG2 1 
ATOM   2095 N  N   . VAL D 1 27 ? 57.79600 37.76200 36.54000 1.000 14.99653 ? 25  VAL D N   1 
ATOM   2096 C  CA  . VAL D 1 27 ? 56.47400 37.35900 36.07000 1.000 13.18316 ? 25  VAL D CA  1 
ATOM   2097 C  C   . VAL D 1 27 ? 56.05400 36.02400 36.66300 1.000 18.31535 ? 25  VAL D C   1 
ATOM   2098 O  O   . VAL D 1 27 ? 54.88800 35.83700 37.01200 1.000 16.76254 ? 25  VAL D O   1 
ATOM   2099 C  CB  . VAL D 1 27 ? 56.46200 37.30000 34.53200 1.000 13.77270 ? 25  VAL D CB  1 
ATOM   2100 C  CG1 . VAL D 1 27 ? 55.05700 36.90900 34.01200 1.000 14.82283 ? 25  VAL D CG1 1 
ATOM   2101 C  CG2 . VAL D 1 27 ? 56.90500 38.63000 33.95900 1.000 14.73071 ? 25  VAL D CG2 1 
ATOM   2102 N  N   . ASN D 1 28 ? 56.96600 35.06300 36.74400 1.000 19.27336 ? 26  ASN D N   1 
ATOM   2103 C  CA  . ASN D 1 28 ? 56.65300 33.74200 37.29000 1.000 19.58656 ? 26  ASN D CA  1 
ATOM   2104 C  C   . ASN D 1 28 ? 57.80500 33.24700 38.14900 1.000 18.77330 ? 26  ASN D C   1 
ATOM   2105 O  O   . ASN D 1 28 ? 58.77600 32.67900 37.62700 1.000 19.21546 ? 26  ASN D O   1 
ATOM   2106 C  CB  . ASN D 1 28 ? 56.34800 32.72400 36.20100 1.000 25.21092 ? 26  ASN D CB  1 
ATOM   2107 C  CG  . ASN D 1 28 ? 55.91600 31.38700 36.78300 1.000 27.90861 ? 26  ASN D CG  1 
ATOM   2108 O  OD1 . ASN D 1 28 ? 55.82700 31.22400 38.01200 1.000 28.12442 ? 26  ASN D OD1 1 
ATOM   2109 N  ND2 . ASN D 1 28 ? 55.62600 30.43000 35.91200 1.000 33.71194 ? 26  ASN D ND2 1 
ATOM   2110 N  N   . PRO D 1 29 ? 57.68800 33.35600 39.47200 1.000 20.72091 ? 27  PRO D N   1 
ATOM   2111 C  CA  . PRO D 1 29 ? 58.80000 32.94600 40.34500 1.000 21.22097 ? 27  PRO D CA  1 
ATOM   2112 C  C   . PRO D 1 29 ? 59.09900 31.46100 40.29500 1.000 21.95790 ? 27  PRO D C   1 
ATOM   2113 O  O   . PRO D 1 29 ? 60.12000 31.04600 40.84800 1.000 22.97381 ? 27  PRO D O   1 
ATOM   2114 C  CB  . PRO D 1 29 ? 58.32800 33.35700 41.74900 1.000 26.01365 ? 27  PRO D CB  1 
ATOM   2115 C  CG  . PRO D 1 29 ? 57.00400 34.03600 41.55900 1.000 30.36680 ? 27  PRO D CG  1 
ATOM   2116 C  CD  . PRO D 1 29 ? 56.46900 33.68000 40.22900 1.000 26.26104 ? 27  PRO D CD  1 
ATOM   2117 N  N   . ALA D 1 30 ? 58.24000 30.64300 39.68900 1.000 19.77342 ? 28  ALA D N   1 
ATOM   2118 C  CA  . ALA D 1 30 ? 58.54200 29.22100 39.56900 1.000 21.99474 ? 28  ALA D CA  1 
ATOM   2119 C  C   . ALA D 1 30 ? 59.57600 28.92100 38.49200 1.000 23.61336 ? 28  ALA D C   1 
ATOM   2120 O  O   . ALA D 1 30 ? 60.12600 27.81300 38.47200 1.000 22.56850 ? 28  ALA D O   1 
ATOM   2121 C  CB  . ALA D 1 30 ? 57.26500 28.42800 39.27700 1.000 25.45568 ? 28  ALA D CB  1 
ATOM   2122 N  N   . LYS D 1 31 ? 59.85900 29.87300 37.60700 1.000 19.68131 ? 29  LYS D N   1 
ATOM   2123 C  CA  . LYS D 1 31 ? 60.71800 29.63200 36.44300 1.000 16.46250 ? 29  LYS D CA  1 
ATOM   2124 C  C   . LYS D 1 31 ? 61.84900 30.66400 36.40400 1.000 18.12586 ? 29  LYS D C   1 
ATOM   2125 O  O   . LYS D 1 31 ? 61.98300 31.46100 35.47300 1.000 16.80728 ? 29  LYS D O   1 
ATOM   2126 C  CB  . LYS D 1 31 ? 59.86300 29.63200 35.17700 1.000 21.89473 ? 29  LYS D CB  1 
ATOM   2127 C  CG  . LYS D 1 31 ? 58.90100 28.45200 35.13400 1.000 24.29502 ? 29  LYS D CG  1 
ATOM   2128 C  CD  . LYS D 1 31 ? 58.07400 28.41800 33.86400 1.000 31.86171 ? 29  LYS D CD  1 
ATOM   2129 C  CE  . LYS D 1 31 ? 57.08200 27.25400 33.89700 1.000 33.54086 ? 29  LYS D CE  1 
ATOM   2130 N  NZ  . LYS D 1 31 ? 56.38300 27.08300 32.59200 1.000 39.32840 ? 29  LYS D NZ  1 
ATOM   2131 N  N   . THR D 1 32 ? 62.69600 30.62900 37.43000 1.000 18.46274 ? 30  THR D N   1 
ATOM   2132 C  CA  . THR D 1 32 ? 63.82900 31.54000 37.48300 1.000 17.01257 ? 30  THR D CA  1 
ATOM   2133 C  C   . THR D 1 32 ? 64.97500 31.01300 36.62700 1.000 17.15732 ? 30  THR D C   1 
ATOM   2134 O  O   . THR D 1 32 ? 64.88400 29.96300 35.98700 1.000 17.68633 ? 30  THR D O   1 
ATOM   2135 C  CB  . THR D 1 32 ? 64.31000 31.72100 38.91700 1.000 17.70212 ? 30  THR D CB  1 
ATOM   2136 O  OG1 . THR D 1 32 ? 65.02000 30.54400 39.31600 1.000 19.16019 ? 30  THR D OG1 1 
ATOM   2137 C  CG2 . THR D 1 32 ? 63.12500 31.95800 39.85800 1.000 18.09691 ? 30  THR D CG2 1 
ATOM   2138 N  N   . LEU D 1 33 ? 66.08200 31.75100 36.62800 1.000 15.13339 ? 31  LEU D N   1 
ATOM   2139 C  CA  . LEU D 1 33 ? 67.29000 31.32500 35.94000 1.000 16.24668 ? 31  LEU D CA  1 
ATOM   2140 C  C   . LEU D 1 33 ? 68.27000 30.66100 36.90100 1.000 17.30734 ? 31  LEU D C   1 
ATOM   2141 O  O   . LEU D 1 33 ? 69.44100 30.46300 36.55400 1.000 18.01269 ? 31  LEU D O   1 
ATOM   2142 C  CB  . LEU D 1 33 ? 67.94500 32.51200 35.22300 1.000 15.67293 ? 31  LEU D CB  1 
ATOM   2143 C  CG  . LEU D 1 33 ? 67.01300 33.37800 34.36800 1.000 15.67030 ? 31  LEU D CG  1 
ATOM   2144 C  CD1 . LEU D 1 33 ? 67.83900 34.33700 33.51700 1.000 15.75715 ? 31  LEU D CD1 1 
ATOM   2145 C  CD2 . LEU D 1 33 ? 66.10600 32.51100 33.49500 1.000 15.42817 ? 31  LEU D CD2 1 
ATOM   2146 N  N   . GLN D 1 34 ? 67.81000 30.30900 38.09500 1.000 18.02058 ? 32  GLN D N   1 
ATOM   2147 C  CA  . GLN D 1 34 ? 68.64400 29.57100 39.02900 1.000 20.64984 ? 32  GLN D CA  1 
ATOM   2148 C  C   . GLN D 1 34 ? 68.82300 28.14200 38.55100 1.000 20.53667 ? 32  GLN D C   1 
ATOM   2149 O  O   . GLN D 1 34 ? 67.95700 27.57900 37.87500 1.000 21.65260 ? 32  GLN D O   1 
ATOM   2150 C  CB  . GLN D 1 34 ? 68.02200 29.57300 40.41600 1.000 22.91591 ? 32  GLN D CB  1 
ATOM   2151 C  CG  . GLN D 1 34 ? 67.83800 30.94900 40.99400 1.000 21.61838 ? 32  GLN D CG  1 
ATOM   2152 C  CD  . GLN D 1 34 ? 67.07500 30.89300 42.29400 1.000 30.17993 ? 32  GLN D CD  1 
ATOM   2153 O  OE1 . GLN D 1 34 ? 65.85100 30.74000 42.30100 1.000 33.40401 ? 32  GLN D OE1 1 
ATOM   2154 N  NE2 . GLN D 1 34 ? 67.79500 30.98600 43.40700 1.000 34.39360 ? 32  GLN D NE2 1 
ATOM   2155 N  N   . LYS D 1 35 ? 69.95900 27.55100 38.93200 1.000 20.62879 ? 33  LYS D N   1 
ATOM   2156 C  CA  . LYS D 1 35 ? 70.34100 26.24300 38.41100 1.000 21.95526 ? 33  LYS D CA  1 
ATOM   2157 C  C   . LYS D 1 35 ? 69.26100 25.20000 38.66500 1.000 22.66324 ? 33  LYS D C   1 
ATOM   2158 O  O   . LYS D 1 35 ? 68.98400 24.36200 37.80200 1.000 22.09739 ? 33  LYS D O   1 
ATOM   2159 C  CB  . LYS D 1 35 ? 71.67000 25.80400 39.03300 1.000 25.16354 ? 33  LYS D CB  1 
ATOM   2160 C  CG  . LYS D 1 35 ? 72.22000 24.50600 38.47300 1.000 29.46143 ? 33  LYS D CG  1 
ATOM   2161 C  CD  . LYS D 1 35 ? 73.35500 23.97900 39.34700 1.000 35.03841 ? 33  LYS D CD  1 
ATOM   2162 C  CE  . LYS D 1 35 ? 73.90300 22.66200 38.82400 1.000 41.49182 ? 33  LYS D CE  1 
ATOM   2163 N  NZ  . LYS D 1 35 ? 74.77100 22.86800 37.62700 1.000 42.35508 ? 33  LYS D NZ  1 
ATOM   2164 N  N   . ALA D 1 36 ? 68.63300 25.23500 39.84200 1.000 21.80788 ? 34  ALA D N   1 
ATOM   2165 C  CA  . ALA D 1 36 ? 67.62600 24.22700 40.15000 1.000 22.29478 ? 34  ALA D CA  1 
ATOM   2166 C  C   . ALA D 1 36 ? 66.45000 24.31500 39.18600 1.000 21.61838 ? 34  ALA D C   1 
ATOM   2167 O  O   . ALA D 1 36 ? 65.93600 23.28900 38.72500 1.000 23.75548 ? 34  ALA D O   1 
ATOM   2168 C  CB  . ALA D 1 36 ? 67.15500 24.37400 41.59800 1.000 25.36883 ? 34  ALA D CB  1 
ATOM   2169 N  N   . ASP D 1 37 ? 66.01900 25.53300 38.85900 1.000 22.24214 ? 35  ASP D N   1 
ATOM   2170 C  CA  . ASP D 1 37 ? 64.89500 25.69400 37.94500 1.000 19.86554 ? 35  ASP D CA  1 
ATOM   2171 C  C   . ASP D 1 37 ? 65.28200 25.31200 36.52000 1.000 20.03661 ? 35  ASP D C   1 
ATOM   2172 O  O   . ASP D 1 37 ? 64.54500 24.58300 35.84100 1.000 18.44695 ? 35  ASP D O   1 
ATOM   2173 C  CB  . ASP D 1 37 ? 64.37900 27.13000 38.00700 1.000 20.04188 ? 35  ASP D CB  1 
ATOM   2174 C  CG  . ASP D 1 37 ? 63.49800 27.39000 39.23100 1.000 28.23496 ? 35  ASP D CG  1 
ATOM   2175 O  OD1 . ASP D 1 37 ? 63.17100 26.43200 39.97400 1.000 31.21690 ? 35  ASP D OD1 1 
ATOM   2176 O  OD2 . ASP D 1 37 ? 63.12000 28.55700 39.44500 1.000 22.85537 ? 35  ASP D OD2 1 
ATOM   2177 N  N   . LEU D 1 38 ? 66.42900 25.80200 36.03800 1.000 18.80225 ? 36  LEU D N   1 
ATOM   2178 C  CA  . LEU D 1 38 ? 66.86400 25.41500 34.69600 1.000 18.38115 ? 36  LEU D CA  1 
ATOM   2179 C  C   . LEU D 1 38 ? 66.94300 23.89900 34.56300 1.000 22.14213 ? 36  LEU D C   1 
ATOM   2180 O  O   . LEU D 1 38 ? 66.49700 23.33100 33.55900 1.000 21.37098 ? 36  LEU D O   1 
ATOM   2181 C  CB  . LEU D 1 38 ? 68.21200 26.05500 34.36100 1.000 20.86303 ? 36  LEU D CB  1 
ATOM   2182 C  CG  . LEU D 1 38 ? 68.24500 27.58300 34.35300 1.000 18.48116 ? 36  LEU D CG  1 
ATOM   2183 C  CD1 . LEU D 1 38 ? 69.63900 28.08100 33.98700 1.000 18.12849 ? 36  LEU D CD1 1 
ATOM   2184 C  CD2 . LEU D 1 38 ? 67.21000 28.15600 33.37700 1.000 20.33928 ? 36  LEU D CD2 1 
ATOM   2185 N  N   . ASP D 1 39 ? 67.48100 23.22300 35.58000 1.000 20.16558 ? 37  ASP D N   1 
ATOM   2186 C  CA  . ASP D 1 39 ? 67.54400 21.76500 35.54400 1.000 20.87882 ? 37  ASP D CA  1 
ATOM   2187 C  C   . ASP D 1 39 ? 66.15000 21.15200 35.51700 1.000 22.34478 ? 37  ASP D C   1 
ATOM   2188 O  O   . ASP D 1 39 ? 65.88900 20.22300 34.74400 1.000 24.45030 ? 37  ASP D O   1 
ATOM   2189 C  CB  . ASP D 1 39 ? 68.33700 21.24000 36.74600 1.000 25.72677 ? 37  ASP D CB  1 
ATOM   2190 C  CG  . ASP D 1 39 ? 69.83700 21.48800 36.62200 1.000 29.41142 ? 37  ASP D CG  1 
ATOM   2191 O  OD1 . ASP D 1 39 ? 70.29900 21.87500 35.52800 1.000 29.18508 ? 37  ASP D OD1 1 
ATOM   2192 O  OD2 . ASP D 1 39 ? 70.56500 21.28000 37.62300 1.000 29.27456 ? 37  ASP D OD2 1 
ATOM   2193 N  N   . GLN D 1 40 ? 65.23200 21.67300 36.33700 1.000 22.05528 ? 38  GLN D N   1 
ATOM   2194 C  CA  . GLN D 1 40 ? 63.90300 21.07900 36.43100 1.000 22.30531 ? 38  GLN D CA  1 
ATOM   2195 C  C   . GLN D 1 40 ? 63.17700 21.10000 35.08700 1.000 21.49468 ? 38  GLN D C   1 
ATOM   2196 O  O   . GLN D 1 40 ? 62.47800 20.14500 34.73400 1.000 21.51574 ? 38  GLN D O   1 
ATOM   2197 C  CB  . GLN D 1 40 ? 63.08000 21.81200 37.48400 1.000 22.66588 ? 38  GLN D CB  1 
ATOM   2198 C  CG  . GLN D 1 40 ? 61.64500 21.31600 37.56600 1.000 23.00276 ? 38  GLN D CG  1 
ATOM   2199 C  CD  . GLN D 1 40 ? 60.83200 22.09900 38.57000 1.000 26.75847 ? 38  GLN D CD  1 
ATOM   2200 O  OE1 . GLN D 1 40 ? 61.35900 22.98100 39.24600 1.000 25.94785 ? 38  GLN D OE1 1 
ATOM   2201 N  NE2 . GLN D 1 40 ? 59.54100 21.79300 38.66400 1.000 26.55582 ? 38  GLN D NE2 1 
ATOM   2202 N  N   . TYR D 1 41 ? 63.34100 22.16900 34.31600 1.000 21.99737 ? 39  TYR D N   1 
ATOM   2203 C  CA  . TYR D 1 41 ? 62.58000 22.33300 33.08500 1.000 18.29693 ? 39  TYR D CA  1 
ATOM   2204 C  C   . TYR D 1 41 ? 63.40900 22.06500 31.83700 1.000 22.79484 ? 39  TYR D C   1 
ATOM   2205 O  O   . TYR D 1 41 ? 62.94700 22.34200 30.72300 1.000 21.44204 ? 39  TYR D O   1 
ATOM   2206 C  CB  . TYR D 1 41 ? 61.97200 23.73300 33.03900 1.000 22.62640 ? 39  TYR D CB  1 
ATOM   2207 C  CG  . TYR D 1 41 ? 61.06200 24.02500 34.21100 1.000 21.91579 ? 39  TYR D CG  1 
ATOM   2208 C  CD1 . TYR D 1 41 ? 59.84100 23.37700 34.34600 1.000 27.66648 ? 39  TYR D CD1 1 
ATOM   2209 C  CD2 . TYR D 1 41 ? 61.42600 24.94400 35.18500 1.000 18.68645 ? 39  TYR D CD2 1 
ATOM   2210 C  CE1 . TYR D 1 41 ? 59.00200 23.64400 35.42300 1.000 28.00336 ? 39  TYR D CE1 1 
ATOM   2211 C  CE2 . TYR D 1 41 ? 60.59500 25.21900 36.26900 1.000 23.15804 ? 39  TYR D CE2 1 
ATOM   2212 C  CZ  . TYR D 1 41 ? 59.38600 24.56500 36.38000 1.000 26.85322 ? 39  TYR D CZ  1 
ATOM   2213 O  OH  . TYR D 1 41 ? 58.56200 24.83900 37.45300 1.000 26.57161 ? 39  TYR D OH  1 
ATOM   2214 N  N   . GLY D 1 42 ? 64.60500 21.50700 31.98900 1.000 21.21044 ? 40  GLY D N   1 
ATOM   2215 C  CA  . GLY D 1 42 ? 65.40400 21.15700 30.82900 1.000 20.64721 ? 40  GLY D CA  1 
ATOM   2216 C  C   . GLY D 1 42 ? 65.93600 22.35500 30.08200 1.000 23.13698 ? 40  GLY D C   1 
ATOM   2217 O  O   . GLY D 1 42 ? 66.07500 22.30600 28.85600 1.000 20.77618 ? 40  GLY D O   1 
ATOM   2218 N  N   . MET D 1 43 ? 66.23600 23.43900 30.79500 1.000 21.42099 ? 41  MET D N   1 
ATOM   2219 C  CA  . MET D 1 43 ? 66.70000 24.67400 30.18300 1.000 20.32875 ? 41  MET D CA  1 
ATOM   2220 C  C   . MET D 1 43 ? 68.16000 24.97000 30.50000 1.000 21.97369 ? 41  MET D C   1 
ATOM   2221 O  O   . MET D 1 43 ? 68.61800 26.08700 30.24700 1.000 23.51598 ? 41  MET D O   1 
ATOM   2222 C  CB  . MET D 1 43 ? 65.81400 25.83700 30.63000 1.000 17.66264 ? 41  MET D CB  1 
ATOM   2223 C  CG  . MET D 1 43 ? 64.37200 25.69600 30.21200 1.000 17.64159 ? 41  MET D CG  1 
ATOM   2224 S  SD  . MET D 1 43 ? 64.25200 25.88300 28.41300 1.000 23.73969 ? 41  MET D SD  1 
ATOM   2225 C  CE  . MET D 1 43 ? 64.89200 27.55400 28.27200 1.000 21.75787 ? 41  MET D CE  1 
ATOM   2226 N  N   . ALA D 1 44 ? 68.90600 23.99500 31.02300 1.000 22.90801 ? 42  ALA D N   1 
ATOM   2227 C  CA  . ALA D 1 44 ? 70.28400 24.22700 31.46300 1.000 24.73981 ? 42  ALA D CA  1 
ATOM   2228 C  C   . ALA D 1 44 ? 71.28900 23.87200 30.36300 1.000 23.52650 ? 42  ALA D C   1 
ATOM   2229 O  O   . ALA D 1 44 ? 72.19900 23.05800 30.54200 1.000 26.48475 ? 42  ALA D O   1 
ATOM   2230 C  CB  . ALA D 1 44 ? 70.56400 23.43900 32.73900 1.000 23.35017 ? 42  ALA D CB  1 
ATOM   2231 N  N   . SER D 1 45 ? 71.11900 24.51200 29.20700 1.000 22.27109 ? 43  SER D N   1 
ATOM   2232 C  CA  . SER D 1 45 ? 72.01800 24.29600 28.08700 1.000 25.10301 ? 43  SER D CA  1 
ATOM   2233 C  C   . SER D 1 45 ? 71.95900 25.50400 27.16600 1.000 25.39515 ? 43  SER D C   1 
ATOM   2234 O  O   . SER D 1 45 ? 70.93600 26.19400 27.09600 1.000 21.64207 ? 43  SER D O   1 
ATOM   2235 C  CB  . SER D 1 45 ? 71.65300 23.02600 27.31000 1.000 30.25889 ? 43  SER D CB  1 
ATOM   2236 O  OG  . SER D 1 45 ? 70.42700 23.20200 26.61600 1.000 29.08770 ? 43  SER D OG  1 
ATOM   2237 N  N   . ILE D 1 46 ? 73.06800 25.74800 26.45900 1.000 23.99761 ? 44  ILE D N   1 
ATOM   2238 C  CA  . ILE D 1 46 ? 73.10100 26.81200 25.45600 1.000 24.44504 ? 44  ILE D CA  1 
ATOM   2239 C  C   . ILE D 1 46 ? 71.99300 26.61800 24.43000 1.000 25.68203 ? 44  ILE D C   1 
ATOM   2240 O  O   . ILE D 1 46 ? 71.34200 27.58100 24.00500 1.000 24.43451 ? 44  ILE D O   1 
ATOM   2241 C  CB  . ILE D 1 46 ? 74.48400 26.86300 24.77500 1.000 25.92416 ? 44  ILE D CB  1 
ATOM   2242 C  CG1 . ILE D 1 46 ? 75.58900 27.07100 25.80600 1.000 27.71122 ? 44  ILE D CG1 1 
ATOM   2243 C  CG2 . ILE D 1 46 ? 74.51900 27.96900 23.72100 1.000 32.62233 ? 44  ILE D CG2 1 
ATOM   2244 C  CD1 . ILE D 1 46 ? 75.52600 28.40300 26.48900 1.000 28.95874 ? 44  ILE D CD1 1 
ATOM   2245 N  N   . GLU D 1 47 ? 71.77200 25.37500 23.99900 1.000 26.31895 ? 45  GLU D N   1 
ATOM   2246 C  CA  . GLU D 1 47 ? 70.76800 25.12400 22.97000 1.000 27.34275 ? 45  GLU D CA  1 
ATOM   2247 C  C   . GLU D 1 47 ? 69.37100 25.48100 23.46200 1.000 27.46382 ? 45  GLU D C   1 
ATOM   2248 O  O   . GLU D 1 47 ? 68.58800 26.09900 22.73000 1.000 24.83456 ? 45  GLU D O   1 
ATOM   2249 C  CB  . GLU D 1 47 ? 70.82700 23.66000 22.52000 1.000 30.80369 ? 45  GLU D CB  1 
ATOM   2250 C  CG  . GLU D 1 47 ? 72.23300 23.16100 22.13200 1.000 35.96747 ? 45  GLU D CG  1 
ATOM   2251 C  CD  . GLU D 1 47 ? 73.02800 22.57600 23.31500 1.000 40.93912 ? 45  GLU D CD  1 
ATOM   2252 O  OE1 . GLU D 1 47 ? 73.41700 23.33200 24.23200 1.000 36.48595 ? 45  GLU D OE1 1 
ATOM   2253 O  OE2 . GLU D 1 47 ? 73.27500 21.34900 23.32100 1.000 49.85598 ? 45  GLU D OE2 1 
ATOM   2254 N  N   . ALA D 1 48 ? 69.04600 25.11900 24.71100 1.000 22.41321 ? 46  ALA D N   1 
ATOM   2255 C  CA  . ALA D 1 48 ? 67.70500 25.36900 25.22900 1.000 23.42912 ? 46  ALA D CA  1 
ATOM   2256 C  C   . ALA D 1 48 ? 67.47000 26.85300 25.45900 1.000 18.96806 ? 46  ALA D C   1 
ATOM   2257 O  O   . ALA D 1 48 ? 66.39400 27.37400 25.13700 1.000 20.41561 ? 46  ALA D O   1 
ATOM   2258 C  CB  . ALA D 1 48 ? 67.47800 24.60000 26.53700 1.000 22.51849 ? 46  ALA D CB  1 
ATOM   2259 N  N   . ILE D 1 49 ? 68.45400 27.54000 26.04700 1.000 20.72617 ? 47  ILE D N   1 
ATOM   2260 C  CA  . ILE D 1 49 ? 68.31400 28.97100 26.30100 1.000 19.46549 ? 47  ILE D CA  1 
ATOM   2261 C  C   . ILE D 1 49 ? 68.22300 29.73400 24.98700 1.000 19.28389 ? 47  ILE D C   1 
ATOM   2262 O  O   . ILE D 1 49 ? 67.39400 30.64200 24.84000 1.000 18.72067 ? 47  ILE D O   1 
ATOM   2263 C  CB  . ILE D 1 49 ? 69.47700 29.47300 27.17300 1.000 19.87080 ? 47  ILE D CB  1 
ATOM   2264 C  CG1 . ILE D 1 49 ? 69.44100 28.80100 28.54800 1.000 19.13124 ? 47  ILE D CG1 1 
ATOM   2265 C  CG2 . ILE D 1 49 ? 69.41100 30.98600 27.32800 1.000 17.44420 ? 47  ILE D CG2 1 
ATOM   2266 C  CD1 . ILE D 1 49 ? 70.74100 28.93800 29.32800 1.000 20.27348 ? 47  ILE D CD1 1 
ATOM   2267 N  N   . THR D 1 50 ? 69.07300 29.37400 24.01600 1.000 18.51011 ? 48  THR D N   1 
ATOM   2268 C  CA  . THR D 1 50 ? 69.01900 29.99000 22.69200 1.000 18.26272 ? 48  THR D CA  1 
ATOM   2269 C  C   . THR D 1 50 ? 67.63100 29.86100 22.07800 1.000 18.32851 ? 48  THR D C   1 
ATOM   2270 O  O   . THR D 1 50 ? 67.07400 30.83500 21.55400 1.000 19.42601 ? 48  THR D O   1 
ATOM   2271 C  CB  . THR D 1 50 ? 70.06700 29.35400 21.77000 1.000 23.97919 ? 48  THR D CB  1 
ATOM   2272 O  OG1 . THR D 1 50 ? 71.38000 29.74100 22.19900 1.000 26.38211 ? 48  THR D OG1 1 
ATOM   2273 C  CG2 . THR D 1 50 ? 69.85100 29.82400 20.34800 1.000 25.51359 ? 48  THR D CG2 1 
ATOM   2274 N  N   . THR D 1 51 ? 67.04200 28.66500 22.15000 1.000 19.16546 ? 49  THR D N   1 
ATOM   2275 C  CA  . THR D 1 51 ? 65.71200 28.45700 21.57600 1.000 17.83109 ? 49  THR D CA  1 
ATOM   2276 C  C   . THR D 1 51 ? 64.67400 29.34500 22.24600 1.000 18.91806 ? 49  THR D C   1 
ATOM   2277 O  O   . THR D 1 51 ? 63.86100 29.99200 21.57300 1.000 22.63956 ? 49  THR D O   1 
ATOM   2278 C  CB  . THR D 1 51 ? 65.30900 26.98900 21.69700 1.000 21.99474 ? 49  THR D CB  1 
ATOM   2279 O  OG1 . THR D 1 51 ? 66.17600 26.19900 20.88600 1.000 24.63716 ? 49  THR D OG1 1 
ATOM   2280 C  CG2 . THR D 1 51 ? 63.87400 26.78600 21.23400 1.000 23.24226 ? 49  THR D CG2 1 
ATOM   2281 N  N   . GLN D 1 52 ? 64.68300 29.38900 23.57900 1.000 18.94964 ? 50  GLN D N   1 
ATOM   2282 C  CA  . GLN D 1 52 ? 63.65000 30.15200 24.26400 1.000 17.04941 ? 50  GLN D CA  1 
ATOM   2283 C  C   . GLN D 1 52 ? 63.82000 31.64200 24.01700 1.000 15.73873 ? 50  GLN D C   1 
ATOM   2284 O  O   . GLN D 1 52 ? 62.83200 32.36700 23.87700 1.000 16.79412 ? 50  GLN D O   1 
ATOM   2285 C  CB  . GLN D 1 52 ? 63.66900 29.84100 25.75800 1.000 20.82618 ? 50  GLN D CB  1 
ATOM   2286 C  CG  . GLN D 1 52 ? 62.59000 30.57900 26.51700 1.000 23.36070 ? 50  GLN D CG  1 
ATOM   2287 C  CD  . GLN D 1 52 ? 61.82900 29.68400 27.46400 1.000 21.71050 ? 50  GLN D CD  1 
ATOM   2288 O  OE1 . GLN D 1 52 ? 61.66500 28.48700 27.21000 1.000 23.40544 ? 50  GLN D OE1 1 
ATOM   2289 N  NE2 . GLN D 1 52 ? 61.34900 30.26000 28.55900 1.000 20.80776 ? 50  GLN D NE2 1 
ATOM   2290 N  N   . VAL D 1 53 ? 65.06800 32.12000 23.97800 1.000 15.35184 ? 51  VAL D N   1 
ATOM   2291 C  CA  . VAL D 1 53 ? 65.30700 33.53000 23.68700 1.000 15.16234 ? 51  VAL D CA  1 
ATOM   2292 C  C   . VAL D 1 53 ? 64.85500 33.86400 22.27300 1.000 15.34394 ? 51  VAL D C   1 
ATOM   2293 O  O   . VAL D 1 53 ? 64.23500 34.90700 22.02800 1.000 15.48607 ? 51  VAL D O   1 
ATOM   2294 C  CB  . VAL D 1 53 ? 66.79100 33.87100 23.88800 1.000 14.13327 ? 51  VAL D CB  1 
ATOM   2295 C  CG1 . VAL D 1 53 ? 67.08700 35.26600 23.35400 1.000 14.82546 ? 51  VAL D CG1 1 
ATOM   2296 C  CG2 . VAL D 1 53 ? 67.14000 33.75600 25.36000 1.000 14.89652 ? 51  VAL D CG2 1 
ATOM   2297 N  N   . THR D 1 54 ? 65.15100 32.97100 21.32500 1.000 15.34658 ? 52  THR D N   1 
ATOM   2298 C  CA  . THR D 1 54 ? 64.79200 33.20400 19.92900 1.000 14.41489 ? 52  THR D CA  1 
ATOM   2299 C  C   . THR D 1 54 ? 63.28200 33.21200 19.74000 1.000 16.89676 ? 52  THR D C   1 
ATOM   2300 O  O   . THR D 1 54 ? 62.73700 34.11900 19.10100 1.000 16.95993 ? 52  THR D O   1 
ATOM   2301 C  CB  . THR D 1 54 ? 65.44600 32.13800 19.04000 1.000 16.07824 ? 52  THR D CB  1 
ATOM   2302 O  OG1 . THR D 1 54 ? 66.86800 32.16700 19.21100 1.000 18.56538 ? 52  THR D OG1 1 
ATOM   2303 C  CG2 . THR D 1 54 ? 65.10200 32.37500 17.53900 1.000 18.69435 ? 52  THR D CG2 1 
ATOM   2304 N  N   . ASN D 1 55 ? 62.58100 32.22100 20.30600 1.000 16.90992 ? 53  ASN D N   1 
ATOM   2305 C  CA  . ASN D 1 55 ? 61.16200 32.01800 20.01000 1.000 17.54947 ? 53  ASN D CA  1 
ATOM   2306 C  C   . ASN D 1 55 ? 60.21400 32.63600 21.02800 1.000 20.26559 ? 53  ASN D C   1 
ATOM   2307 O  O   . ASN D 1 55 ? 59.02700 32.80200 20.72300 1.000 19.55761 ? 53  ASN D O   1 
ATOM   2308 C  CB  . ASN D 1 55 ? 60.85100 30.52100 19.91400 1.000 19.18125 ? 53  ASN D CB  1 
ATOM   2309 C  CG  . ASN D 1 55 ? 61.58300 29.84600 18.77200 1.000 25.18460 ? 53  ASN D CG  1 
ATOM   2310 O  OD1 . ASN D 1 55 ? 62.00200 30.50400 17.81600 1.000 23.25016 ? 53  ASN D OD1 1 
ATOM   2311 N  ND2 . ASN D 1 55 ? 61.74500 28.52900 18.86700 1.000 25.58991 ? 53  ASN D ND2 1 
ATOM   2312 N  N   . GLY D 1 56 ? 60.69600 32.97600 22.21900 1.000 17.43367 ? 54  GLY D N   1 
ATOM   2313 C  CA  . GLY D 1 56 ? 59.79600 33.36700 23.28300 1.000 13.86482 ? 54  GLY D CA  1 
ATOM   2314 C  C   . GLY D 1 56 ? 59.02900 32.17400 23.81400 1.000 17.74423 ? 54  GLY D C   1 
ATOM   2315 O  O   . GLY D 1 56 ? 59.11100 31.07300 23.26400 1.000 19.32600 ? 54  GLY D O   1 
ATOM   2316 N  N   . LYS D 1 57 ? 58.28200 32.38400 24.89500 1.000 16.15983 ? 55  LYS D N   1 
ATOM   2317 C  CA  . LYS D 1 57 ? 57.40600 31.35000 25.42500 1.000 18.02058 ? 55  LYS D CA  1 
ATOM   2318 C  C   . LYS D 1 57 ? 56.44900 31.96700 26.43200 1.000 18.29430 ? 55  LYS D C   1 
ATOM   2319 O  O   . LYS D 1 57 ? 56.88600 32.63700 27.37100 1.000 16.97046 ? 55  LYS D O   1 
ATOM   2320 C  CB  . LYS D 1 57 ? 58.19900 30.22100 26.08700 1.000 19.45233 ? 55  LYS D CB  1 
ATOM   2321 C  CG  . LYS D 1 57 ? 57.29500 29.12300 26.63700 1.000 24.42924 ? 55  LYS D CG  1 
ATOM   2322 C  CD  . LYS D 1 57 ? 58.06900 28.00600 27.29100 1.000 29.10086 ? 55  LYS D CD  1 
ATOM   2323 C  CE  . LYS D 1 57 ? 57.11800 26.97900 27.91200 1.000 35.66743 ? 55  LYS D CE  1 
ATOM   2324 N  NZ  . LYS D 1 57 ? 56.15600 26.43300 26.91000 1.000 43.74735 ? 55  LYS D NZ  1 
ATOM   2325 N  N   . GLY D 1 58 ? 55.15300 31.73300 26.25500 1.000 21.02357 ? 56  GLY D N   1 
ATOM   2326 C  CA  . GLY D 1 58 ? 54.19600 32.27700 27.20900 1.000 17.03362 ? 56  GLY D CA  1 
ATOM   2327 C  C   . GLY D 1 58 ? 54.32900 33.78300 27.27800 1.000 17.86793 ? 56  GLY D C   1 
ATOM   2328 O  O   . GLY D 1 58 ? 54.31000 34.47900 26.25000 1.000 16.07561 ? 56  GLY D O   1 
ATOM   2329 N  N   . ALA D 1 59 ? 54.51300 34.29400 28.49800 1.000 14.52806 ? 57  ALA D N   1 
ATOM   2330 C  CA  . ALA D 1 59 ? 54.66700 35.72300 28.72300 1.000 14.37541 ? 57  ALA D CA  1 
ATOM   2331 C  C   . ALA D 1 59 ? 56.06400 36.22600 28.39500 1.000 14.27540 ? 57  ALA D C   1 
ATOM   2332 O  O   . ALA D 1 59 ? 56.27500 37.43900 28.40700 1.000 16.53093 ? 57  ALA D O   1 
ATOM   2333 C  CB  . ALA D 1 59 ? 54.33800 36.08900 30.18300 1.000 14.97548 ? 57  ALA D CB  1 
ATOM   2334 N  N   . MET D 1 60 ? 57.01000 35.34800 28.09400 1.000 15.25183 ? 58  MET D N   1 
ATOM   2335 C  CA  . MET D 1 60 ? 58.33600 35.80700 27.69700 1.000 13.59637 ? 58  MET D CA  1 
ATOM   2336 C  C   . MET D 1 60 ? 58.35700 36.17700 26.22200 1.000 14.32803 ? 58  MET D C   1 
ATOM   2337 O  O   . MET D 1 60 ? 58.01200 35.33900 25.37800 1.000 13.74375 ? 58  MET D O   1 
ATOM   2338 C  CB  . MET D 1 60 ? 59.37700 34.74700 27.95200 1.000 15.03338 ? 58  MET D CB  1 
ATOM   2339 C  CG  . MET D 1 60 ? 60.75300 35.20900 27.50500 1.000 16.70990 ? 58  MET D CG  1 
ATOM   2340 S  SD  . MET D 1 60 ? 62.05000 34.14300 28.10300 1.000 12.24357 ? 58  MET D SD  1 
ATOM   2341 C  CE  . MET D 1 60 ? 63.24700 34.33500 26.78500 1.000 12.50413 ? 58  MET D CE  1 
ATOM   2342 N  N   . PRO D 1 61 ? 58.75200 37.40000 25.86800 1.000 13.14368 ? 59  PRO D N   1 
ATOM   2343 C  CA  . PRO D 1 61 ? 58.78900 37.80000 24.45700 1.000 15.38342 ? 59  PRO D CA  1 
ATOM   2344 C  C   . PRO D 1 61 ? 59.85900 37.05900 23.67300 1.000 14.64386 ? 59  PRO D C   1 
ATOM   2345 O  O   . PRO D 1 61 ? 60.83900 36.54700 24.21800 1.000 14.25960 ? 59  PRO D O   1 
ATOM   2346 C  CB  . PRO D 1 61 ? 59.09900 39.29900 24.51800 1.000 17.82845 ? 59  PRO D CB  1 
ATOM   2347 C  CG  . PRO D 1 61 ? 59.72200 39.52200 25.85300 1.000 16.99414 ? 59  PRO D CG  1 
ATOM   2348 C  CD  . PRO D 1 61 ? 59.16000 38.48300 26.78000 1.000 14.76756 ? 59  PRO D CD  1 
ATOM   2349 N  N   . ALA D 1 62 ? 59.64900 37.01300 22.35600 1.000 14.18854 ? 60  ALA D N   1 
ATOM   2350 C  CA  . ALA D 1 62 ? 60.64600 36.48400 21.43600 1.000 14.42015 ? 60  ALA D CA  1 
ATOM   2351 C  C   . ALA D 1 62 ? 61.67400 37.55600 21.10200 1.000 16.52303 ? 60  ALA D C   1 
ATOM   2352 O  O   . ALA D 1 62 ? 61.34000 38.73500 20.95700 1.000 19.92081 ? 60  ALA D O   1 
ATOM   2353 C  CB  . ALA D 1 62 ? 59.97000 35.98800 20.15800 1.000 14.12275 ? 60  ALA D CB  1 
ATOM   2354 N  N   . PHE D 1 63 ? 62.93400 37.14000 20.96900 1.000 14.34646 ? 61  PHE D N   1 
ATOM   2355 C  CA  . PHE D 1 63 ? 64.00700 38.06300 20.62800 1.000 15.09391 ? 61  PHE D CA  1 
ATOM   2356 C  C   . PHE D 1 63 ? 64.67100 37.72800 19.30700 1.000 16.31511 ? 61  PHE D C   1 
ATOM   2357 O  O   . PHE D 1 63 ? 65.62000 38.42200 18.91300 1.000 16.66779 ? 61  PHE D O   1 
ATOM   2358 C  CB  . PHE D 1 63 ? 65.07300 38.09100 21.73500 1.000 13.17000 ? 61  PHE D CB  1 
ATOM   2359 C  CG  . PHE D 1 63 ? 64.58100 38.66300 23.02800 1.000 16.56251 ? 61  PHE D CG  1 
ATOM   2360 C  CD1 . PHE D 1 63 ? 63.93100 37.85800 23.94900 1.000 13.07525 ? 61  PHE D CD1 1 
ATOM   2361 C  CD2 . PHE D 1 63 ? 64.77000 40.00500 23.32400 1.000 15.64135 ? 61  PHE D CD2 1 
ATOM   2362 C  CE1 . PHE D 1 63 ? 63.44600 38.38900 25.15500 1.000 13.99905 ? 61  PHE D CE1 1 
ATOM   2363 C  CE2 . PHE D 1 63 ? 64.29100 40.54000 24.53900 1.000 18.43905 ? 61  PHE D CE2 1 
ATOM   2364 C  CZ  . PHE D 1 63 ? 63.64100 39.72600 25.44400 1.000 15.29657 ? 61  PHE D CZ  1 
ATOM   2365 N  N   . GLY D 1 64 ? 64.21600 36.68000 18.62000 1.000 14.82283 ? 62  GLY D N   1 
ATOM   2366 C  CA  . GLY D 1 64 ? 64.91600 36.21100 17.43300 1.000 15.69925 ? 62  GLY D CA  1 
ATOM   2367 C  C   . GLY D 1 64 ? 64.98600 37.21600 16.30600 1.000 19.20493 ? 62  GLY D C   1 
ATOM   2368 O  O   . GLY D 1 64 ? 65.90600 37.14100 15.48300 1.000 18.65487 ? 62  GLY D O   1 
ATOM   2369 N  N   . SER D 1 65 ? 64.03800 38.15100 16.23500 1.000 17.99689 ? 63  SER D N   1 
ATOM   2370 C  CA  . SER D 1 65 ? 64.08100 39.15600 15.18000 1.000 20.65511 ? 63  SER D CA  1 
ATOM   2371 C  C   . SER D 1 65 ? 64.77700 40.43100 15.61600 1.000 21.81577 ? 63  SER D C   1 
ATOM   2372 O  O   . SER D 1 65 ? 65.08700 41.26600 14.76200 1.000 27.71385 ? 63  SER D O   1 
ATOM   2373 C  CB  . SER D 1 65 ? 62.66600 39.49900 14.70300 1.000 25.58991 ? 63  SER D CB  1 
ATOM   2374 O  OG  . SER D 1 65 ? 61.97700 40.21700 15.71600 1.000 30.16677 ? 63  SER D OG  1 
ATOM   2375 N  N   . LYS D 1 66 ? 65.02700 40.59500 16.91700 1.000 19.86554 ? 64  LYS D N   1 
ATOM   2376 C  CA  . LYS D 1 66 ? 65.58000 41.82700 17.46200 1.000 21.73155 ? 64  LYS D CA  1 
ATOM   2377 C  C   . LYS D 1 66 ? 67.06400 41.73600 17.80300 1.000 25.10301 ? 64  LYS D C   1 
ATOM   2378 O  O   . LYS D 1 66 ? 67.73400 42.77200 17.83500 1.000 30.13256 ? 64  LYS D O   1 
ATOM   2379 C  CB  . LYS D 1 66 ? 64.80500 42.23900 18.72100 1.000 28.80082 ? 64  LYS D CB  1 
ATOM   2380 C  CG  . LYS D 1 66 ? 63.32000 42.51600 18.46500 1.000 32.36441 ? 64  LYS D CG  1 
ATOM   2381 C  CD  . LYS D 1 66 ? 62.55200 42.83400 19.74500 1.000 41.74448 ? 64  LYS D CD  1 
ATOM   2382 C  CE  . LYS D 1 66 ? 62.49800 41.63700 20.69100 1.000 30.43523 ? 64  LYS D CE  1 
ATOM   2383 N  NZ  . LYS D 1 66 ? 61.29000 41.66200 21.59100 1.000 36.98338 ? 64  LYS D NZ  1 
ATOM   2384 N  N   . LEU D 1 67 ? 67.59100 40.53900 18.06600 1.000 19.89186 ? 65  LEU D N   1 
ATOM   2385 C  CA  . LEU D 1 67 ? 68.98500 40.35900 18.45000 1.000 17.69423 ? 65  LEU D CA  1 
ATOM   2386 C  C   . LEU D 1 67 ? 69.72400 39.57800 17.37200 1.000 21.86578 ? 65  LEU D C   1 
ATOM   2387 O  O   . LEU D 1 67 ? 69.13700 38.74700 16.67900 1.000 20.04451 ? 65  LEU D O   1 
ATOM   2388 C  CB  . LEU D 1 67 ? 69.09800 39.61400 19.78100 1.000 17.27576 ? 65  LEU D CB  1 
ATOM   2389 C  CG  . LEU D 1 67 ? 68.45900 40.35100 20.95300 1.000 19.65236 ? 65  LEU D CG  1 
ATOM   2390 C  CD1 . LEU D 1 67 ? 68.56500 39.52200 22.23600 1.000 20.47351 ? 65  LEU D CD1 1 
ATOM   2391 C  CD2 . LEU D 1 67 ? 69.13000 41.70400 21.12600 1.000 20.23927 ? 65  LEU D CD2 1 
ATOM   2392 N  N   . SER D 1 68 ? 71.02300 39.83500 17.24100 1.000 21.35782 ? 66  SER D N   1 
ATOM   2393 C  CA  . SER D 1 68 ? 71.82900 39.03700 16.33100 1.000 23.32385 ? 66  SER D CA  1 
ATOM   2394 C  C   . SER D 1 68 ? 71.99100 37.62200 16.87500 1.000 18.88911 ? 66  SER D C   1 
ATOM   2395 O  O   . SER D 1 68 ? 71.78300 37.36000 18.05400 1.000 19.61288 ? 66  SER D O   1 
ATOM   2396 C  CB  . SER D 1 68 ? 73.20800 39.66400 16.13600 1.000 22.35268 ? 66  SER D CB  1 
ATOM   2397 O  OG  . SER D 1 68 ? 73.92400 39.62400 17.36600 1.000 21.42362 ? 66  SER D OG  1 
ATOM   2398 N  N   . ALA D 1 69 ? 72.37500 36.69400 15.99400 1.000 19.82606 ? 67  ALA D N   1 
ATOM   2399 C  CA  . ALA D 1 69 ? 72.67500 35.34300 16.46600 1.000 18.12586 ? 67  ALA D CA  1 
ATOM   2400 C  C   . ALA D 1 69 ? 73.80000 35.36700 17.49800 1.000 22.81853 ? 67  ALA D C   1 
ATOM   2401 O  O   . ALA D 1 69 ? 73.76600 34.62200 18.48700 1.000 21.37362 ? 67  ALA D O   1 
ATOM   2402 C  CB  . ALA D 1 69 ? 73.03400 34.43500 15.28400 1.000 22.78957 ? 67  ALA D CB  1 
ATOM   2403 N  N   . ASP D 1 70 ? 74.80000 36.23200 17.29100 1.000 20.50246 ? 68  ASP D N   1 
ATOM   2404 C  CA  . ASP D 1 70 ? 75.87500 36.36100 18.27300 1.000 19.62867 ? 68  ASP D CA  1 
ATOM   2405 C  C   . ASP D 1 70 ? 75.36000 36.89200 19.60600 1.000 20.94462 ? 68  ASP D C   1 
ATOM   2406 O  O   . ASP D 1 70 ? 75.80200 36.43500 20.66500 1.000 20.43666 ? 68  ASP D O   1 
ATOM   2407 C  CB  . ASP D 1 70 ? 76.97900 37.27600 17.74400 1.000 20.41034 ? 68  ASP D CB  1 
ATOM   2408 C  CG  . ASP D 1 70 ? 77.91900 36.57300 16.77200 1.000 27.44013 ? 68  ASP D CG  1 
ATOM   2409 O  OD1 . ASP D 1 70 ? 77.78100 35.35000 16.55000 1.000 25.94522 ? 68  ASP D OD1 1 
ATOM   2410 O  OD2 . ASP D 1 70 ? 78.81900 37.25200 16.23400 1.000 28.51921 ? 68  ASP D OD2 1 
ATOM   2411 N  N   . ASP D 1 71 ? 74.46900 37.89000 19.57700 1.000 20.02345 ? 69  ASP D N   1 
ATOM   2412 C  CA  . ASP D 1 71 ? 73.88600 38.39700 20.82300 1.000 16.89413 ? 69  ASP D CA  1 
ATOM   2413 C  C   . ASP D 1 71 ? 73.24900 37.27000 21.62000 1.000 19.54182 ? 69  ASP D C   1 
ATOM   2414 O  O   . ASP D 1 71 ? 73.38400 37.19900 22.84700 1.000 19.12071 ? 69  ASP D O   1 
ATOM   2415 C  CB  . ASP D 1 71 ? 72.79800 39.44000 20.55900 1.000 20.99199 ? 69  ASP D CB  1 
ATOM   2416 C  CG  . ASP D 1 71 ? 73.31300 40.74300 19.99900 1.000 23.77653 ? 69  ASP D CG  1 
ATOM   2417 O  OD1 . ASP D 1 71 ? 74.49600 41.08300 20.19500 1.000 28.11653 ? 69  ASP D OD1 1 
ATOM   2418 O  OD2 . ASP D 1 71 ? 72.48100 41.44300 19.36700 1.000 29.21666 ? 69  ASP D OD2 1 
ATOM   2419 N  N   . ILE D 1 72 ? 72.48900 36.41500 20.93600 1.000 17.26786 ? 70  ILE D N   1 
ATOM   2420 C  CA  . ILE D 1 72 ? 71.73100 35.37600 21.62500 1.000 17.22575 ? 70  ILE D CA  1 
ATOM   2421 C  C   . ILE D 1 72 ? 72.66200 34.28500 22.13400 1.000 21.06305 ? 70  ILE D C   1 
ATOM   2422 O  O   . ILE D 1 72 ? 72.50700 33.80200 23.26200 1.000 18.23903 ? 70  ILE D O   1 
ATOM   2423 C  CB  . ILE D 1 72 ? 70.62200 34.83000 20.70400 1.000 17.19943 ? 70  ILE D CB  1 
ATOM   2424 C  CG1 . ILE D 1 72 ? 69.58700 35.93500 20.48000 1.000 18.48643 ? 70  ILE D CG1 1 
ATOM   2425 C  CG2 . ILE D 1 72 ? 69.94800 33.61100 21.32900 1.000 18.66540 ? 70  ILE D CG2 1 
ATOM   2426 C  CD1 . ILE D 1 72 ? 68.43800 35.54500 19.57200 1.000 19.63130 ? 70  ILE D CD1 1 
ATOM   2427 N  N   . ALA D 1 73 ? 73.66100 33.90200 21.33200 1.000 18.94964 ? 71  ALA D N   1 
ATOM   2428 C  CA  . ALA D 1 73 ? 74.62400 32.91000 21.80000 1.000 19.06544 ? 71  ALA D CA  1 
ATOM   2429 C  C   . ALA D 1 73 ? 75.34000 33.40100 23.04500 1.000 22.16318 ? 71  ALA D C   1 
ATOM   2430 O  O   . ALA D 1 73 ? 75.52100 32.64500 24.00900 1.000 20.32086 ? 71  ALA D O   1 
ATOM   2431 C  CB  . ALA D 1 73 ? 75.63700 32.58800 20.69300 1.000 18.76278 ? 71  ALA D CB  1 
ATOM   2432 N  N   . ASP D 1 74 ? 75.72300 34.68000 23.05200 1.000 20.56036 ? 72  ASP D N   1 
ATOM   2433 C  CA  . ASP D 1 74 ? 76.47500 35.23000 24.17700 1.000 20.50246 ? 72  ASP D CA  1 
ATOM   2434 C  C   . ASP D 1 74 ? 75.60400 35.35200 25.42600 1.000 18.77594 ? 72  ASP D C   1 
ATOM   2435 O  O   . ASP D 1 74 ? 76.04800 35.02300 26.53200 1.000 20.57615 ? 72  ASP D O   1 
ATOM   2436 C  CB  . ASP D 1 74 ? 77.05500 36.58800 23.78700 1.000 20.49719 ? 72  ASP D CB  1 
ATOM   2437 C  CG  . ASP D 1 74 ? 78.13000 36.48600 22.70300 1.000 29.20087 ? 72  ASP D CG  1 
ATOM   2438 O  OD1 . ASP D 1 74 ? 78.56600 35.36100 22.38100 1.000 26.11892 ? 72  ASP D OD1 1 
ATOM   2439 O  OD2 . ASP D 1 74 ? 78.53700 37.54200 22.18200 1.000 27.50593 ? 72  ASP D OD2 1 
ATOM   2440 N  N   . VAL D 1 75 ? 74.36000 35.81500 25.27400 1.000 18.99701 ? 73  VAL D N   1 
ATOM   2441 C  CA  . VAL D 1 75 ? 73.51700 35.92800 26.46200 1.000 19.71552 ? 73  VAL D CA  1 
ATOM   2442 C  C   . VAL D 1 75 ? 73.18900 34.54200 27.00400 1.000 16.82307 ? 73  VAL D C   1 
ATOM   2443 O  O   . VAL D 1 75 ? 73.06400 34.36300 28.22000 1.000 16.77570 ? 73  VAL D O   1 
ATOM   2444 C  CB  . VAL D 1 75 ? 72.24900 36.76900 26.18700 1.000 16.37038 ? 73  VAL D CB  1 
ATOM   2445 C  CG1 . VAL D 1 75 ? 71.15800 35.97600 25.44600 1.000 19.25757 ? 73  VAL D CG1 1 
ATOM   2446 C  CG2 . VAL D 1 75 ? 71.67900 37.31200 27.51200 1.000 17.79950 ? 73  VAL D CG2 1 
ATOM   2447 N  N   . ALA D 1 76 ? 73.06300 33.54000 26.12700 1.000 18.51801 ? 74  ALA D N   1 
ATOM   2448 C  CA  . ALA D 1 76 ? 72.86900 32.17200 26.59800 1.000 17.44156 ? 74  ALA D CA  1 
ATOM   2449 C  C   . ALA D 1 76 ? 74.06900 31.69200 27.40400 1.000 22.25267 ? 74  ALA D C   1 
ATOM   2450 O  O   . ALA D 1 76 ? 73.90900 31.05500 28.45000 1.000 22.00790 ? 74  ALA D O   1 
ATOM   2451 C  CB  . ALA D 1 76 ? 72.61500 31.23200 25.41500 1.000 19.35495 ? 74  ALA D CB  1 
ATOM   2452 N  N   . SER D 1 77 ? 75.28000 31.97400 26.92000 1.000 21.26571 ? 75  SER D N   1 
ATOM   2453 C  CA  . SER D 1 77 ? 76.47700 31.58700 27.65900 1.000 21.09463 ? 75  SER D CA  1 
ATOM   2454 C  C   . SER D 1 77 ? 76.55900 32.31800 28.98800 1.000 18.43379 ? 75  SER D C   1 
ATOM   2455 O  O   . SER D 1 77 ? 76.98200 31.74500 30.00200 1.000 20.83408 ? 75  SER D O   1 
ATOM   2456 C  CB  . SER D 1 77 ? 77.71800 31.87400 26.81900 1.000 21.82367 ? 75  SER D CB  1 
ATOM   2457 O  OG  . SER D 1 77 ? 77.66100 31.19200 25.57200 1.000 28.32708 ? 75  SER D OG  1 
ATOM   2458 N  N   . TYR D 1 78 ? 76.16400 33.59100 29.00000 1.000 18.38642 ? 76  TYR D N   1 
ATOM   2459 C  CA  . TYR D 1 78 ? 76.17300 34.36000 30.24300 1.000 17.81529 ? 76  TYR D CA  1 
ATOM   2460 C  C   . TYR D 1 78 ? 75.21100 33.76900 31.26100 1.000 20.49983 ? 76  TYR D C   1 
ATOM   2461 O  O   . TYR D 1 78 ? 75.56500 33.57600 32.42900 1.000 20.48930 ? 76  TYR D O   1 
ATOM   2462 C  CB  . TYR D 1 78 ? 75.82400 35.82100 29.95100 1.000 20.29980 ? 76  TYR D CB  1 
ATOM   2463 C  CG  . TYR D 1 78 ? 75.66900 36.68300 31.18600 1.000 19.76816 ? 76  TYR D CG  1 
ATOM   2464 C  CD1 . TYR D 1 78 ? 76.78800 37.20700 31.82700 1.000 18.78383 ? 76  TYR D CD1 1 
ATOM   2465 C  CD2 . TYR D 1 78 ? 74.41300 36.96800 31.71000 1.000 18.63381 ? 76  TYR D CD2 1 
ATOM   2466 C  CE1 . TYR D 1 78 ? 76.65000 37.99600 32.94600 1.000 21.46836 ? 76  TYR D CE1 1 
ATOM   2467 C  CE2 . TYR D 1 78 ? 74.27100 37.74800 32.83500 1.000 21.54995 ? 76  TYR D CE2 1 
ATOM   2468 C  CZ  . TYR D 1 78 ? 75.39500 38.25700 33.44900 1.000 22.62113 ? 76  TYR D CZ  1 
ATOM   2469 O  OH  . TYR D 1 78 ? 75.25200 39.04100 34.56700 1.000 25.36357 ? 76  TYR D OH  1 
ATOM   2470 N  N   . VAL D 1 79 ? 73.97600 33.47700 30.83200 1.000 18.70487 ? 77  VAL D N   1 
ATOM   2471 C  CA  . VAL D 1 79 ? 72.97600 32.94100 31.75200 1.000 18.31272 ? 77  VAL D CA  1 
ATOM   2472 C  C   . VAL D 1 79 ? 73.42900 31.60100 32.32300 1.000 20.83934 ? 77  VAL D C   1 
ATOM   2473 O  O   . VAL D 1 79 ? 73.32600 31.35400 33.53000 1.000 19.48918 ? 77  VAL D O   1 
ATOM   2474 C  CB  . VAL D 1 79 ? 71.61400 32.82700 31.04900 1.000 19.30231 ? 77  VAL D CB  1 
ATOM   2475 C  CG1 . VAL D 1 79 ? 70.66100 31.95900 31.86100 1.000 17.10731 ? 77  VAL D CG1 1 
ATOM   2476 C  CG2 . VAL D 1 79 ? 71.03700 34.21200 30.84100 1.000 16.98625 ? 77  VAL D CG2 1 
ATOM   2477 N  N   . LEU D 1 80 ? 73.93000 30.71200 31.46500 1.000 20.34981 ? 78  LEU D N   1 
ATOM   2478 C  CA  . LEU D 1 80 ? 74.36700 29.40800 31.94900 1.000 22.37637 ? 78  LEU D CA  1 
ATOM   2479 C  C   . LEU D 1 80 ? 75.50200 29.56400 32.95600 1.000 22.82116 ? 78  LEU D C   1 
ATOM   2480 O  O   . LEU D 1 80 ? 75.50800 28.91300 34.00800 1.000 23.34754 ? 78  LEU D O   1 
ATOM   2481 C  CB  . LEU D 1 80 ? 74.79000 28.52300 30.77300 1.000 26.37948 ? 78  LEU D CB  1 
ATOM   2482 C  CG  . LEU D 1 80 ? 74.82700 27.01500 31.03600 1.000 30.37206 ? 78  LEU D CG  1 
ATOM   2483 C  CD1 . LEU D 1 80 ? 73.48100 26.53500 31.58200 1.000 28.10600 ? 78  LEU D CD1 1 
ATOM   2484 C  CD2 . LEU D 1 80 ? 75.20100 26.24600 29.77200 1.000 30.21941 ? 78  LEU D CD2 1 
ATOM   2485 N  N   . ASP D 1 81 ? 76.45200 30.45400 32.66200 1.000 24.05815 ? 79  ASP D N   1 
ATOM   2486 C  CA  . ASP D 1 81 ? 77.59600 30.65600 33.54700 1.000 24.48188 ? 79  ASP D CA  1 
ATOM   2487 C  C   . ASP D 1 81 ? 77.16500 31.24100 34.88700 1.000 26.97165 ? 79  ASP D C   1 
ATOM   2488 O  O   . ASP D 1 81 ? 77.65000 30.81600 35.94100 1.000 24.84772 ? 79  ASP D O   1 
ATOM   2489 C  CB  . ASP D 1 81 ? 78.62200 31.55700 32.85500 1.000 26.18209 ? 79  ASP D CB  1 
ATOM   2490 C  CG  . ASP D 1 81 ? 79.85200 31.82500 33.71000 1.000 31.65116 ? 79  ASP D CG  1 
ATOM   2491 O  OD1 . ASP D 1 81 ? 80.63600 30.88200 33.95100 1.000 32.86183 ? 79  ASP D OD1 1 
ATOM   2492 O  OD2 . ASP D 1 81 ? 80.03600 32.98400 34.13300 1.000 32.39073 ? 79  ASP D OD2 1 
ATOM   2493 N  N   . GLN D 1 82 ? 76.25500 32.22200 34.87000 1.000 21.91315 ? 80  GLN D N   1 
ATOM   2494 C  CA  . GLN D 1 82 ? 75.74900 32.77600 36.12400 1.000 23.33438 ? 80  GLN D CA  1 
ATOM   2495 C  C   . GLN D 1 82 ? 75.01200 31.72100 36.93100 1.000 23.46597 ? 80  GLN D C   1 
ATOM   2496 O  O   . GLN D 1 82 ? 75.11800 31.68300 38.16300 1.000 22.99223 ? 80  GLN D O   1 
ATOM   2497 C  CB  . GLN D 1 82 ? 74.81700 33.95600 35.85000 1.000 22.31320 ? 80  GLN D CB  1 
ATOM   2498 C  CG  . GLN D 1 82 ? 75.51200 35.18700 35.32700 1.000 20.02345 ? 80  GLN D CG  1 
ATOM   2499 C  CD  . GLN D 1 82 ? 76.44400 35.79600 36.36500 1.000 28.55342 ? 80  GLN D CD  1 
ATOM   2500 O  OE1 . GLN D 1 82 ? 76.04600 36.06100 37.50100 1.000 29.49038 ? 80  GLN D OE1 1 
ATOM   2501 N  NE2 . GLN D 1 82 ? 77.68600 36.01400 35.97800 1.000 30.90897 ? 80  GLN D NE2 1 
ATOM   2502 N  N   . SER D 1 83 ? 74.22500 30.88000 36.25800 1.000 23.24226 ? 81  SER D N   1 
ATOM   2503 C  CA  . SER D 1 83 ? 73.46700 29.86600 36.97900 1.000 23.23700 ? 81  SER D CA  1 
ATOM   2504 C  C   . SER D 1 83 ? 74.40500 28.88700 37.66800 1.000 26.27420 ? 81  SER D C   1 
ATOM   2505 O  O   . SER D 1 83 ? 74.13900 28.44500 38.79000 1.000 27.68753 ? 81  SER D O   1 
ATOM   2506 C  CB  . SER D 1 83 ? 72.51800 29.13000 36.02900 1.000 22.78168 ? 81  SER D CB  1 
ATOM   2507 O  OG  . SER D 1 83 ? 73.22600 28.19700 35.22700 1.000 30.04308 ? 81  SER D OG  1 
ATOM   2508 N  N   . GLU D 1 84 ? 75.52600 28.56200 37.02400 1.000 26.46107 ? 82  GLU D N   1 
ATOM   2509 C  CA  . GLU D 1 84 ? 76.45700 27.61600 37.62600 1.000 29.86937 ? 82  GLU D CA  1 
ATOM   2510 C  C   . GLU D 1 84 ? 77.15900 28.20400 38.84100 1.000 34.74627 ? 82  GLU D C   1 
ATOM   2511 O  O   . GLU D 1 84 ? 77.45400 27.46800 39.79200 1.000 38.64411 ? 82  GLU D O   1 
ATOM   2512 C  CB  . GLU D 1 84 ? 77.46800 27.14600 36.58300 1.000 30.51945 ? 82  GLU D CB  1 
ATOM   2513 C  CG  . GLU D 1 84 ? 76.82900 26.29300 35.51300 1.000 35.63322 ? 82  GLU D CG  1 
ATOM   2514 C  CD  . GLU D 1 84 ? 77.77000 25.95400 34.38300 1.000 41.00228 ? 82  GLU D CD  1 
ATOM   2515 O  OE1 . GLU D 1 84 ? 78.96900 26.29800 34.48100 1.000 52.55893 ? 82  GLU D OE1 1 
ATOM   2516 O  OE2 . GLU D 1 84 ? 77.31000 25.34100 33.39400 1.000 45.60284 ? 82  GLU D OE2 1 
ATOM   2517 N  N   . LYS D 1 85 ? 77.41900 29.51300 38.85700 1.000 33.88827 ? 83  LYS D N   1 
ATOM   2518 C  CA  . LYS D 1 85 ? 78.08500 30.10900 40.01300 1.000 34.30148 ? 83  LYS D CA  1 
ATOM   2519 C  C   . LYS D 1 85 ? 77.12800 30.80200 40.98400 1.000 39.14417 ? 83  LYS D C   1 
ATOM   2520 O  O   . LYS D 1 85 ? 77.58100 31.30900 42.01500 1.000 38.98362 ? 83  LYS D O   1 
ATOM   2521 C  CB  . LYS D 1 85 ? 79.20300 31.07100 39.56500 1.000 37.90191 ? 83  LYS D CB  1 
ATOM   2522 C  CG  . LYS D 1 85 ? 78.79100 32.30500 38.78900 1.000 38.14668 ? 83  LYS D CG  1 
ATOM   2523 C  CD  . LYS D 1 85 ? 79.95300 33.31300 38.70700 1.000 39.37577 ? 83  LYS D CD  1 
ATOM   2524 C  CE  . LYS D 1 85 ? 79.84600 34.18100 37.45600 1.000 41.29706 ? 83  LYS D CE  1 
ATOM   2525 N  NZ  . LYS D 1 85 ? 80.58500 35.48700 37.53600 1.000 45.36070 ? 83  LYS D NZ  1 
ATOM   2526 N  N   . GLY D 1 86 ? 75.82500 30.81800 40.70600 1.000 28.35340 ? 84  GLY D N   1 
ATOM   2527 C  CA  . GLY D 1 86 ? 74.82900 31.14200 41.70900 1.000 31.55905 ? 84  GLY D CA  1 
ATOM   2528 C  C   . GLY D 1 86 ? 74.23900 32.53900 41.68800 1.000 35.01209 ? 84  GLY D C   1 
ATOM   2529 O  O   . GLY D 1 86 ? 73.62200 32.93900 42.68700 1.000 36.99128 ? 84  GLY D O   1 
ATOM   2530 N  N   . TRP D 1 87 ? 74.38500 33.27800 40.58800 1.000 27.55857 ? 85  TRP D N   1 
ATOM   2531 C  CA  . TRP D 1 87 ? 73.87800 34.65000 40.46200 1.000 27.42171 ? 85  TRP D CA  1 
ATOM   2532 C  C   . TRP D 1 87 ? 74.32700 35.53400 41.63400 1.000 29.02190 ? 85  TRP D C   1 
ATOM   2533 O  O   . TRP D 1 87 ? 73.51700 35.95400 42.46000 1.000 34.70416 ? 85  TRP D O   1 
ATOM   2534 C  CB  . TRP D 1 87 ? 72.34200 34.64700 40.31900 1.000 25.06880 ? 85  TRP D CB  1 
ATOM   2535 C  CG  . TRP D 1 87 ? 71.89600 34.05300 38.99900 1.000 22.99749 ? 85  TRP D CG  1 
ATOM   2536 C  CD1 . TRP D 1 87 ? 71.48400 32.77000 38.77300 1.000 21.71313 ? 85  TRP D CD1 1 
ATOM   2537 C  CD2 . TRP D 1 87 ? 71.85700 34.71800 37.72700 1.000 20.56826 ? 85  TRP D CD2 1 
ATOM   2538 N  NE1 . TRP D 1 87 ? 71.18300 32.59600 37.43700 1.000 18.30746 ? 85  TRP D NE1 1 
ATOM   2539 C  CE2 . TRP D 1 87 ? 71.41500 33.77300 36.77400 1.000 19.70236 ? 85  TRP D CE2 1 
ATOM   2540 C  CE3 . TRP D 1 87 ? 72.15700 36.01500 37.30300 1.000 19.60498 ? 85  TRP D CE3 1 
ATOM   2541 C  CZ2 . TRP D 1 87 ? 71.24800 34.09400 35.42100 1.000 18.81541 ? 85  TRP D CZ2 1 
ATOM   2542 C  CZ3 . TRP D 1 87 ? 71.99800 36.33300 35.96400 1.000 17.71265 ? 85  TRP D CZ3 1 
ATOM   2543 C  CH2 . TRP D 1 87 ? 71.53400 35.37600 35.03900 1.000 16.92045 ? 85  TRP D CH2 1 
HETATM 2544 FE FE  . HEC E 2 .  ? 51.61700 45.23000 28.19000 1.000 11.14081 ? 101 HEC A FE  1 
HETATM 2545 C  CHA . HEC E 2 .  ? 53.00100 48.37700 28.08500 1.000 11.49085 ? 101 HEC A CHA 1 
HETATM 2546 C  CHB . HEC E 2 .  ? 48.63800 46.46800 27.11400 1.000 11.20134 ? 101 HEC A CHB 1 
HETATM 2547 C  CHC . HEC E 2 .  ? 50.31900 42.04900 28.00400 1.000 13.50425 ? 101 HEC A CHC 1 
HETATM 2548 C  CHD . HEC E 2 .  ? 54.40700 44.00400 29.71400 1.000 9.69064  ? 101 HEC A CHD 1 
HETATM 2549 N  NA  . HEC E 2 .  ? 50.95000 47.07700 27.73400 1.000 12.66994 ? 101 HEC A NA  1 
HETATM 2550 C  C1A . HEC E 2 .  ? 51.65900 48.25800 27.80300 1.000 12.10145 ? 101 HEC A C1A 1 
HETATM 2551 C  C2A . HEC E 2 .  ? 50.74800 49.34400 27.50200 1.000 10.39072 ? 101 HEC A C2A 1 
HETATM 2552 C  C3A . HEC E 2 .  ? 49.54500 48.81600 27.22100 1.000 12.39359 ? 101 HEC A C3A 1 
HETATM 2553 C  C4A . HEC E 2 .  ? 49.65100 47.37700 27.32800 1.000 10.54074 ? 101 HEC A C4A 1 
HETATM 2554 C  CMA . HEC E 2 .  ? 48.26600 49.59900 26.83600 1.000 17.67580 ? 101 HEC A CMA 1 
HETATM 2555 C  CAA . HEC E 2 .  ? 51.12500 50.84200 27.52400 1.000 12.95418 ? 101 HEC A CAA 1 
HETATM 2556 C  CBA . HEC E 2 .  ? 51.13700 51.28700 29.00400 1.000 14.05958 ? 101 HEC A CBA 1 
HETATM 2557 C  CGA . HEC E 2 .  ? 51.64300 52.70200 29.17800 1.000 17.09415 ? 101 HEC A CGA 1 
HETATM 2558 O  O1A . HEC E 2 .  ? 51.51400 53.28200 30.30200 1.000 14.62281 ? 101 HEC A O1A 1 
HETATM 2559 O  O2A . HEC E 2 .  ? 52.18400 53.26800 28.19700 1.000 18.20218 ? 101 HEC A O2A 1 
HETATM 2560 N  NB  . HEC E 2 .  ? 49.88000 44.41900 27.64200 1.000 10.76708 ? 101 HEC A NB  1 
HETATM 2561 C  C1B . HEC E 2 .  ? 48.76000 45.10500 27.19300 1.000 10.18280 ? 101 HEC A C1B 1 
HETATM 2562 C  C2B . HEC E 2 .  ? 47.78800 44.14600 26.71200 1.000 12.89891 ? 101 HEC A C2B 1 
HETATM 2563 C  C3B . HEC E 2 .  ? 48.21600 42.91800 27.01800 1.000 13.20158 ? 101 HEC A C3B 1 
HETATM 2564 C  C4B . HEC E 2 .  ? 49.54800 43.07300 27.55200 1.000 11.92775 ? 101 HEC A C4B 1 
HETATM 2565 C  CMB . HEC E 2 .  ? 46.38300 44.59800 26.25500 1.000 14.38067 ? 101 HEC A CMB 1 
HETATM 2566 C  CAB . HEC E 2 .  ? 47.55100 41.54400 26.79900 1.000 11.16713 ? 101 HEC A CAB 1 
HETATM 2567 C  CBB . HEC E 2 .  ? 47.11200 41.31600 25.32800 1.000 12.93313 ? 101 HEC A CBB 1 
HETATM 2568 N  NC  . HEC E 2 .  ? 52.23000 43.40100 28.75100 1.000 11.45137 ? 101 HEC A NC  1 
HETATM 2569 C  C1C . HEC E 2 .  ? 51.54300 42.21100 28.61700 1.000 12.08566 ? 101 HEC A C1C 1 
HETATM 2570 C  C2C . HEC E 2 .  ? 52.40800 41.12100 29.00700 1.000 10.59338 ? 101 HEC A C2C 1 
HETATM 2571 C  C3C . HEC E 2 .  ? 53.46000 41.65700 29.65800 1.000 11.43558 ? 101 HEC A C3C 1 
HETATM 2572 C  C4C . HEC E 2 .  ? 53.42600 43.09300 29.40400 1.000 10.03015 ? 101 HEC A C4C 1 
HETATM 2573 C  CMC . HEC E 2 .  ? 51.90300 39.67900 29.20700 1.000 13.83850 ? 101 HEC A CMC 1 
HETATM 2574 C  CAC . HEC E 2 .  ? 54.56100 40.89300 30.48000 1.000 11.36452 ? 101 HEC A CAC 1 
HETATM 2575 C  CBC . HEC E 2 .  ? 55.38600 39.90000 29.69000 1.000 15.66240 ? 101 HEC A CBC 1 
HETATM 2576 N  ND  . HEC E 2 .  ? 53.41400 46.07600 28.83000 1.000 11.09080 ? 101 HEC A ND  1 
HETATM 2577 C  C1D . HEC E 2 .  ? 54.48100 45.31200 29.30000 1.000 9.43271  ? 101 HEC A C1D 1 
HETATM 2578 C  C2D . HEC E 2 .  ? 55.67900 46.13300 29.28400 1.000 10.57495 ? 101 HEC A C2D 1 
HETATM 2579 C  C3D . HEC E 2 .  ? 55.24100 47.48900 28.77700 1.000 10.66180 ? 101 HEC A C3D 1 
HETATM 2580 C  C4D . HEC E 2 .  ? 53.81800 47.36200 28.50700 1.000 11.08554 ? 101 HEC A C4D 1 
HETATM 2581 C  CMD . HEC E 2 .  ? 57.10200 45.72900 29.69300 1.000 12.98050 ? 101 HEC A CMD 1 
HETATM 2582 C  CAD . HEC E 2 .  ? 56.11000 48.72900 28.52500 1.000 12.19357 ? 101 HEC A CAD 1 
HETATM 2583 C  CBD . HEC E 2 .  ? 56.71200 48.50300 27.12700 1.000 14.67018 ? 101 HEC A CBD 1 
HETATM 2584 C  CGD . HEC E 2 .  ? 57.69600 49.59000 26.75300 1.000 23.82128 ? 101 HEC A CGD 1 
HETATM 2585 O  O1D . HEC E 2 .  ? 57.27900 50.76300 26.58100 1.000 25.66097 ? 101 HEC A O1D 1 
HETATM 2586 O  O2D . HEC E 2 .  ? 58.90100 49.27000 26.60100 1.000 26.56371 ? 101 HEC A O2D 1 
HETATM 2587 S  S   . SO4 F 3 .  ? 61.25600 46.76200 20.32400 0.630 41.88397 ? 102 SO4 A S   1 
HETATM 2588 O  O1  . SO4 F 3 .  ? 61.95300 46.99500 19.06100 0.630 42.71565 ? 102 SO4 A O1  1 
HETATM 2589 O  O2  . SO4 F 3 .  ? 60.09900 45.90800 20.07900 0.630 35.54374 ? 102 SO4 A O2  1 
HETATM 2590 O  O3  . SO4 F 3 .  ? 62.15500 46.09800 21.26300 0.630 37.50450 ? 102 SO4 A O3  1 
HETATM 2591 O  O4  . SO4 F 3 .  ? 60.80100 48.03200 20.88300 0.630 33.95933 ? 102 SO4 A O4  1 
HETATM 2592 FE FE  . HEC G 2 .  ? 57.39400 44.36700 51.67900 1.000 11.58297 ? 101 HEC B FE  1 
HETATM 2593 C  CHA . HEC G 2 .  ? 56.00100 47.47500 52.02800 1.000 11.11186 ? 101 HEC B CHA 1 
HETATM 2594 C  CHB . HEC G 2 .  ? 60.35900 45.55100 52.85400 1.000 11.26451 ? 101 HEC B CHB 1 
HETATM 2595 C  CHC . HEC G 2 .  ? 58.71700 41.21600 51.56200 1.000 12.05671 ? 101 HEC B CHC 1 
HETATM 2596 C  CHD . HEC G 2 .  ? 54.63800 43.22500 50.05600 1.000 11.56454 ? 101 HEC B CHD 1 
HETATM 2597 N  NA  . HEC G 2 .  ? 58.03800 46.17400 52.28600 1.000 13.15947 ? 101 HEC B NA  1 
HETATM 2598 C  C1A . HEC G 2 .  ? 57.33200 47.36400 52.31200 1.000 12.08566 ? 101 HEC B C1A 1 
HETATM 2599 C  C2A . HEC G 2 .  ? 58.21600 48.43800 52.71200 1.000 13.15158 ? 101 HEC B C2A 1 
HETATM 2600 C  C3A . HEC G 2 .  ? 59.42200 47.89100 52.95000 1.000 11.67508 ? 101 HEC B C3A 1 
HETATM 2601 C  C4A . HEC G 2 .  ? 59.33000 46.46100 52.70800 1.000 11.27767 ? 101 HEC B C4A 1 
HETATM 2602 C  CMA . HEC G 2 .  ? 60.70000 48.61700 53.40400 1.000 14.84652 ? 101 HEC B CMA 1 
HETATM 2603 C  CAA . HEC G 2 .  ? 57.82700 49.94000 52.82900 1.000 14.29382 ? 101 HEC B CAA 1 
HETATM 2604 C  CBA . HEC G 2 .  ? 57.85600 50.51400 51.39800 1.000 12.99893 ? 101 HEC B CBA 1 
HETATM 2605 C  CGA . HEC G 2 .  ? 57.42200 51.96200 51.31500 1.000 15.77031 ? 101 HEC B CGA 1 
HETATM 2606 O  O1A . HEC G 2 .  ? 57.54000 52.57400 50.21300 1.000 16.57041 ? 101 HEC B O1A 1 
HETATM 2607 O  O2A . HEC G 2 .  ? 56.95400 52.51600 52.34200 1.000 18.29167 ? 101 HEC B O2A 1 
HETATM 2608 N  NB  . HEC G 2 .  ? 59.16400 43.54400 52.15700 1.000 10.67233 ? 101 HEC B NB  1 
HETATM 2609 C  C1B . HEC G 2 .  ? 60.26900 44.19800 52.65400 1.000 10.99079 ? 101 HEC B C1B 1 
HETATM 2610 C  C2B . HEC G 2 .  ? 61.24900 43.19700 53.01200 1.000 11.09344 ? 101 HEC B C2B 1 
HETATM 2611 C  C3B . HEC G 2 .  ? 60.82600 42.01000 52.58400 1.000 10.83025 ? 101 HEC B C3B 1 
HETATM 2612 C  C4B . HEC G 2 .  ? 59.48500 42.20500 52.10600 1.000 10.57495 ? 101 HEC B C4B 1 
HETATM 2613 C  CMB . HEC G 2 .  ? 62.66700 43.56400 53.47900 1.000 15.25446 ? 101 HEC B CMB 1 
HETATM 2614 C  CAB . HEC G 2 .  ? 61.53700 40.64000 52.68200 1.000 11.25135 ? 101 HEC B CAB 1 
HETATM 2615 C  CBB . HEC G 2 .  ? 61.90300 40.29300 54.15900 1.000 13.54373 ? 101 HEC B CBB 1 
HETATM 2616 N  NC  . HEC G 2 .  ? 56.79400 42.57400 50.94300 1.000 12.45939 ? 101 HEC B NC  1 
HETATM 2617 C  C1C . HEC G 2 .  ? 57.49800 41.38700 50.95900 1.000 12.46728 ? 101 HEC B C1C 1 
HETATM 2618 C  C2C . HEC G 2 .  ? 56.65000 40.30400 50.50500 1.000 11.53033 ? 101 HEC B C2C 1 
HETATM 2619 C  C3C . HEC G 2 .  ? 55.60100 40.87800 49.89800 1.000 12.32516 ? 101 HEC B C3C 1 
HETATM 2620 C  C4C . HEC G 2 .  ? 55.62300 42.29100 50.26900 1.000 10.90131 ? 101 HEC B C4C 1 
HETATM 2621 C  CMC . HEC G 2 .  ? 57.22600 38.91000 50.17900 1.000 13.95957 ? 101 HEC B CMC 1 
HETATM 2622 C  CAC . HEC G 2 .  ? 54.50800 40.17400 49.02400 1.000 11.64087 ? 101 HEC B CAC 1 
HETATM 2623 C  CBC . HEC G 2 .  ? 53.67700 39.07200 49.64500 1.000 12.56466 ? 101 HEC B CBC 1 
HETATM 2624 N  ND  . HEC G 2 .  ? 55.64300 45.22800 51.10900 1.000 11.67772 ? 101 HEC B ND  1 
HETATM 2625 C  C1D . HEC G 2 .  ? 54.59200 44.49600 50.56900 1.000 10.55390 ? 101 HEC B C1D 1 
HETATM 2626 C  C2D . HEC G 2 .  ? 53.39500 45.30100 50.64700 1.000 13.68848 ? 101 HEC B C2D 1 
HETATM 2627 C  C3D . HEC G 2 .  ? 53.81400 46.62100 51.26500 1.000 13.36213 ? 101 HEC B C3D 1 
HETATM 2628 C  C4D . HEC G 2 .  ? 55.22500 46.48300 51.51300 1.000 11.34873 ? 101 HEC B C4D 1 
HETATM 2629 C  CMD . HEC G 2 .  ? 51.98200 44.91400 50.19500 1.000 14.79125 ? 101 HEC B CMD 1 
HETATM 2630 C  CAD . HEC G 2 .  ? 52.91000 47.82200 51.61300 1.000 13.46740 ? 101 HEC B CAD 1 
HETATM 2631 C  CBD . HEC G 2 .  ? 52.30400 47.48800 52.98800 1.000 16.28880 ? 101 HEC B CBD 1 
HETATM 2632 C  CGD . HEC G 2 .  ? 51.27900 48.51000 53.43300 1.000 23.75811 ? 101 HEC B CGD 1 
HETATM 2633 O  O1D . HEC G 2 .  ? 51.63900 49.68300 53.67900 1.000 25.14775 ? 101 HEC B O1D 1 
HETATM 2634 O  O2D . HEC G 2 .  ? 50.09000 48.13800 53.56600 1.000 28.86925 ? 101 HEC B O2D 1 
HETATM 2635 S  S   . SO4 H 3 .  ? 74.18700 33.00600 52.77800 0.610 46.55558 ? 102 SO4 B S   1 
HETATM 2636 O  O1  . SO4 H 3 .  ? 75.01800 32.41700 51.72900 0.610 43.41310 ? 102 SO4 B O1  1 
HETATM 2637 O  O2  . SO4 H 3 .  ? 72.84900 32.41500 52.73100 0.610 42.59458 ? 102 SO4 B O2  1 
HETATM 2638 O  O3  . SO4 H 3 .  ? 74.80500 32.74600 54.07400 0.610 40.73646 ? 102 SO4 B O3  1 
HETATM 2639 O  O4  . SO4 H 3 .  ? 74.07900 34.44800 52.57200 0.610 37.59398 ? 102 SO4 B O4  1 
HETATM 2640 FE FE  . HEC I 2 .  ? 46.38800 33.94600 48.94300 1.000 14.17802 ? 101 HEC C FE  1 
HETATM 2641 C  CHA . HEC I 2 .  ? 47.69300 31.00800 47.75000 1.000 17.11258 ? 101 HEC C CHA 1 
HETATM 2642 C  CHB . HEC I 2 .  ? 43.37300 32.40500 49.44400 1.000 14.94390 ? 101 HEC C CHB 1 
HETATM 2643 C  CHC . HEC I 2 .  ? 45.16500 36.80000 50.34800 1.000 14.75703 ? 101 HEC C CHC 1 
HETATM 2644 C  CHD . HEC I 2 .  ? 49.22100 35.63200 47.96900 1.000 14.17012 ? 101 HEC C CHD 1 
HETATM 2645 N  NA  . HEC I 2 .  ? 45.67700 32.09200 48.65300 1.000 12.66994 ? 101 HEC C NA  1 
HETATM 2646 C  C1A . HEC I 2 .  ? 46.36900 31.02600 48.10600 1.000 14.89652 ? 101 HEC C C1A 1 
HETATM 2647 C  C2A . HEC I 2 .  ? 45.48300 29.89100 47.98200 1.000 16.58620 ? 101 HEC C C2A 1 
HETATM 2648 C  C3A . HEC I 2 .  ? 44.28600 30.27700 48.44300 1.000 15.08602 ? 101 HEC C C3A 1 
HETATM 2649 C  C4A . HEC I 2 .  ? 44.39100 31.65500 48.88200 1.000 14.26224 ? 101 HEC C C4A 1 
HETATM 2650 C  CMA . HEC I 2 .  ? 43.00700 29.41800 48.53200 1.000 19.87870 ? 101 HEC C CMA 1 
HETATM 2651 C  CAA . HEC I 2 .  ? 45.87400 28.51200 47.37700 1.000 18.51801 ? 101 HEC C CAA 1 
HETATM 2652 C  CBA . HEC I 2 .  ? 45.87100 28.67600 45.84600 1.000 19.63393 ? 101 HEC C CBA 1 
HETATM 2653 C  CGA . HEC I 2 .  ? 46.28500 27.41600 45.10800 1.000 22.11055 ? 101 HEC C CGA 1 
HETATM 2654 O  O1A . HEC I 2 .  ? 46.19000 27.37900 43.85100 1.000 24.29239 ? 101 HEC C O1A 1 
HETATM 2655 O  O2A . HEC I 2 .  ? 46.71200 26.43900 45.76500 1.000 26.75584 ? 101 HEC C O2A 1 
HETATM 2656 N  NB  . HEC I 2 .  ? 44.64700 34.49400 49.74000 1.000 13.78586 ? 101 HEC C NB  1 
HETATM 2657 C  C1B . HEC I 2 .  ? 43.52600 33.70100 49.88600 1.000 13.15947 ? 101 HEC C C1B 1 
HETATM 2658 C  C2B . HEC I 2 .  ? 42.57300 34.41600 50.69800 1.000 13.82008 ? 101 HEC C C2B 1 
HETATM 2659 C  C3B . HEC I 2 .  ? 43.03500 35.65400 50.90200 1.000 16.09667 ? 101 HEC C C3B 1 
HETATM 2660 C  C4B . HEC I 2 .  ? 44.36700 35.69800 50.34500 1.000 14.19907 ? 101 HEC C C4B 1 
HETATM 2661 C  CMB . HEC I 2 .  ? 41.14700 33.87200 50.96400 1.000 16.58883 ? 101 HEC C CMB 1 
HETATM 2662 C  CAB . HEC I 2 .  ? 42.37700 36.84200 51.64700 1.000 13.29633 ? 101 HEC C CAB 1 
HETATM 2663 C  CBB . HEC I 2 .  ? 41.96900 36.49700 53.09600 1.000 14.96758 ? 101 HEC C CBB 1 
HETATM 2664 N  NC  . HEC I 2 .  ? 47.05800 35.83400 49.11100 1.000 14.11748 ? 101 HEC C NC  1 
HETATM 2665 C  C1C . HEC I 2 .  ? 46.38900 36.86900 49.72800 1.000 13.40161 ? 101 HEC C C1C 1 
HETATM 2666 C  C2C . HEC I 2 .  ? 47.28700 37.99200 49.83500 1.000 11.14871 ? 101 HEC C C2C 1 
HETATM 2667 C  C3C . HEC I 2 .  ? 48.32500 37.74500 49.01500 1.000 11.10659 ? 101 HEC C C3C 1 
HETATM 2668 C  C4C . HEC I 2 .  ? 48.24900 36.34700 48.63800 1.000 12.80680 ? 101 HEC C C4C 1 
HETATM 2669 C  CMC . HEC I 2 .  ? 46.79900 39.39300 50.26200 1.000 12.78048 ? 101 HEC C CMC 1 
HETATM 2670 C  CAC . HEC I 2 .  ? 49.45900 38.72900 48.58500 1.000 13.47530 ? 101 HEC C CAC 1 
HETATM 2671 C  CBC . HEC I 2 .  ? 50.20500 39.51500 49.64900 1.000 12.63309 ? 101 HEC C CBC 1 
HETATM 2672 N  ND  . HEC I 2 .  ? 48.14200 33.41500 47.98100 1.000 13.86482 ? 101 HEC C ND  1 
HETATM 2673 C  C1D . HEC I 2 .  ? 49.23900 34.26300 47.84100 1.000 11.15134 ? 101 HEC C C1D 1 
HETATM 2674 C  C2D . HEC I 2 .  ? 50.38900 33.46800 47.49700 1.000 14.15959 ? 101 HEC C C2D 1 
HETATM 2675 C  C3D . HEC I 2 .  ? 49.89900 32.04100 47.43300 1.000 13.19895 ? 101 HEC C C3D 1 
HETATM 2676 C  C4D . HEC I 2 .  ? 48.50600 32.10300 47.74300 1.000 13.67006 ? 101 HEC C C4D 1 
HETATM 2677 C  CMD . HEC I 2 .  ? 51.83600 33.95700 47.25700 1.000 14.88863 ? 101 HEC C CMD 1 
HETATM 2678 C  CAD . HEC I 2 .  ? 50.71900 30.76100 47.16500 1.000 17.43630 ? 101 HEC C CAD 1 
HETATM 2679 C  CBD . HEC I 2 .  ? 51.46200 30.49900 48.48100 1.000 20.07609 ? 101 HEC C CBD 1 
HETATM 2680 C  CGD . HEC I 2 .  ? 52.37300 29.30400 48.37500 1.000 22.56060 ? 101 HEC C CGD 1 
HETATM 2681 O  O1D . HEC I 2 .  ? 51.87000 28.17500 48.17100 1.000 25.35304 ? 101 HEC C O1D 1 
HETATM 2682 O  O2D . HEC I 2 .  ? 53.60400 29.49400 48.52700 1.000 25.81625 ? 101 HEC C O2D 1 
HETATM 2683 FE FE  . HEC J 2 .  ? 62.85300 34.92900 30.19100 1.000 12.68573 ? 101 HEC D FE  1 
HETATM 2684 C  CHA . HEC J 2 .  ? 61.66400 31.85700 31.19600 1.000 12.59098 ? 101 HEC D CHA 1 
HETATM 2685 C  CHB . HEC J 2 .  ? 65.88400 33.58500 29.58300 1.000 14.98601 ? 101 HEC D CHB 1 
HETATM 2686 C  CHC . HEC J 2 .  ? 63.94700 37.95100 28.97800 1.000 15.81505 ? 101 HEC D CHC 1 
HETATM 2687 C  CHD . HEC J 2 .  ? 59.98200 36.43500 31.28100 1.000 12.82259 ? 101 HEC D CHD 1 
HETATM 2688 N  NA  . HEC J 2 .  ? 63.60500 33.08300 30.38200 1.000 11.47243 ? 101 HEC D NA  1 
HETATM 2689 C  C1A . HEC J 2 .  ? 62.98700 31.94800 30.85500 1.000 12.34622 ? 101 HEC D C1A 1 
HETATM 2690 C  C2A . HEC J 2 .  ? 63.93700 30.86400 30.88400 1.000 15.92823 ? 101 HEC D C2A 1 
HETATM 2691 C  C3A . HEC J 2 .  ? 65.10800 31.34500 30.44100 1.000 12.33832 ? 101 HEC D C3A 1 
HETATM 2692 C  C4A . HEC J 2 .  ? 64.92200 32.74100 30.10100 1.000 12.62257 ? 101 HEC D C4A 1 
HETATM 2693 C  CMA . HEC J 2 .  ? 66.42000 30.54200 30.29100 1.000 17.34682 ? 101 HEC D CMA 1 
HETATM 2694 C  CAA . HEC J 2 .  ? 63.63800 29.43300 31.39400 1.000 16.45987 ? 101 HEC D CAA 1 
HETATM 2695 C  CBA . HEC J 2 .  ? 63.66200 29.54200 32.92900 1.000 15.64398 ? 101 HEC D CBA 1 
HETATM 2696 C  CGA . HEC J 2 .  ? 63.24000 28.25500 33.60700 1.000 21.19465 ? 101 HEC D CGA 1 
HETATM 2697 O  O1A . HEC J 2 .  ? 63.38300 28.14700 34.86900 1.000 19.37074 ? 101 HEC D O1A 1 
HETATM 2698 O  O2A . HEC J 2 .  ? 62.75500 27.34100 32.88400 1.000 20.06820 ? 101 HEC D O2A 1 
HETATM 2699 N  NB  . HEC J 2 .  ? 64.53100 35.61900 29.41000 1.000 11.24345 ? 101 HEC D NB  1 
HETATM 2700 C  C1B . HEC J 2 .  ? 65.70000 34.89200 29.22000 1.000 11.73825 ? 101 HEC D C1B 1 
HETATM 2701 C  C2B . HEC J 2 .  ? 66.62800 35.70000 28.45400 1.000 12.40675 ? 101 HEC D C2B 1 
HETATM 2702 C  C3B . HEC J 2 .  ? 66.10200 36.92200 28.33800 1.000 12.44623 ? 101 HEC D C3B 1 
HETATM 2703 C  C4B . HEC J 2 .  ? 64.77300 36.87200 28.89000 1.000 14.34119 ? 101 HEC D C4B 1 
HETATM 2704 C  CMB . HEC J 2 .  ? 68.08600 35.25200 28.14800 1.000 16.33617 ? 101 HEC D CMB 1 
HETATM 2705 C  CAB . HEC J 2 .  ? 66.68600 38.19500 27.70500 1.000 11.77773 ? 101 HEC D CAB 1 
HETATM 2706 C  CBB . HEC J 2 .  ? 67.09600 37.97700 26.23300 1.000 13.48320 ? 101 HEC D CBB 1 
HETATM 2707 N  NC  . HEC J 2 .  ? 62.12200 36.81800 30.15500 1.000 12.63836 ? 101 HEC D NC  1 
HETATM 2708 C  C1C . HEC J 2 .  ? 62.73300 37.94200 29.62000 1.000 13.61216 ? 101 HEC D C1C 1 
HETATM 2709 C  C2C . HEC J 2 .  ? 61.79900 39.05800 29.63200 1.000 12.14356 ? 101 HEC D C2C 1 
HETATM 2710 C  C3C . HEC J 2 .  ? 60.77500 38.68600 30.40900 1.000 11.38558 ? 101 HEC D C3C 1 
HETATM 2711 C  C4C . HEC J 2 .  ? 60.91100 37.25500 30.66800 1.000 12.15409 ? 101 HEC D C4C 1 
HETATM 2712 C  CMC . HEC J 2 .  ? 62.21400 40.50900 29.29600 1.000 13.58321 ? 101 HEC D CMC 1 
HETATM 2713 C  CAC . HEC J 2 .  ? 59.60600 39.58300 30.91400 1.000 12.11461 ? 101 HEC D CAC 1 
HETATM 2714 C  CBC . HEC J 2 .  ? 58.79800 40.30100 29.83200 1.000 15.64398 ? 101 HEC D CBC 1 
HETATM 2715 N  ND  . HEC J 2 .  ? 61.12900 34.25500 31.12700 1.000 11.80668 ? 101 HEC D ND  1 
HETATM 2716 C  C1D . HEC J 2 .  ? 60.01100 35.05600 31.32400 1.000 10.66970 ? 101 HEC D C1D 1 
HETATM 2717 C  C2D . HEC J 2 .  ? 58.88300 34.20300 31.60400 1.000 11.46980 ? 101 HEC D C2D 1 
HETATM 2718 C  C3D . HEC J 2 .  ? 59.40500 32.78000 31.57600 1.000 11.49612 ? 101 HEC D C3D 1 
HETATM 2719 C  C4D . HEC J 2 .  ? 60.80500 32.91400 31.27400 1.000 12.09356 ? 101 HEC D C4D 1 
HETATM 2720 C  CMD . HEC J 2 .  ? 57.43700 34.63900 31.88400 1.000 11.92248 ? 101 HEC D CMD 1 
HETATM 2721 C  CAD . HEC J 2 .  ? 58.61900 31.47200 31.77000 1.000 12.35148 ? 101 HEC D CAD 1 
HETATM 2722 C  CBD . HEC J 2 .  ? 57.92300 31.22000 30.42200 1.000 15.31499 ? 101 HEC D CBD 1 
HETATM 2723 C  CGD . HEC J 2 .  ? 57.01800 30.01400 30.48300 1.000 23.30806 ? 101 HEC D CGD 1 
HETATM 2724 O  O1D . HEC J 2 .  ? 57.52200 28.87900 30.66000 1.000 24.16079 ? 101 HEC D O1D 1 
HETATM 2725 O  O2D . HEC J 2 .  ? 55.78300 30.19700 30.33500 1.000 26.78479 ? 101 HEC D O2D 1 
HETATM 2726 S  S   . SO4 K 3 .  ? 65.25000 31.11000 46.62400 0.620 36.84389 ? 102 SO4 D S   1 
HETATM 2727 O  O1  . SO4 K 3 .  ? 65.49200 29.83900 45.94400 0.620 41.48392 ? 102 SO4 D O1  1 
HETATM 2728 O  O2  . SO4 K 3 .  ? 63.91900 31.60500 46.28700 0.620 34.57520 ? 102 SO4 D O2  1 
HETATM 2729 O  O3  . SO4 K 3 .  ? 65.34900 30.90100 48.07000 0.620 34.04882 ? 102 SO4 D O3  1 
HETATM 2730 O  O4  . SO4 K 3 .  ? 66.25900 32.07700 46.21100 0.620 35.41214 ? 102 SO4 D O4  1 
HETATM 2731 O  O   . HOH L 4 .  ? 52.26700 37.16100 36.78400 1.000 31.53000 ? 201 HOH A O   1 
HETATM 2732 O  O   . HOH L 4 .  ? 54.78400 50.96900 26.36500 1.000 24.96000 ? 202 HOH A O   1 
HETATM 2733 O  O   . HOH L 4 .  ? 52.28700 37.25300 17.85200 1.000 26.36000 ? 203 HOH A O   1 
HETATM 2734 O  O   . HOH L 4 .  ? 35.79800 47.12000 31.14700 1.000 31.55000 ? 204 HOH A O   1 
HETATM 2735 O  O   . HOH L 4 .  ? 50.06900 57.42300 20.29500 1.000 35.97000 ? 205 HOH A O   1 
HETATM 2736 O  O   . HOH L 4 .  ? 60.53900 51.93100 34.77600 1.000 36.43000 ? 206 HOH A O   1 
HETATM 2737 O  O   . HOH L 4 .  ? 46.53300 57.34200 21.20000 1.000 25.20000 ? 207 HOH A O   1 
HETATM 2738 O  O   . HOH L 4 .  ? 38.03400 35.69000 18.01500 1.000 31.36000 ? 208 HOH A O   1 
HETATM 2739 O  O   . HOH L 4 .  ? 41.58600 34.56200 22.20500 1.000 34.93000 ? 209 HOH A O   1 
HETATM 2740 O  O   . HOH L 4 .  ? 36.62000 43.15000 34.81300 1.000 24.68000 ? 210 HOH A O   1 
HETATM 2741 O  O   . HOH L 4 .  ? 37.05700 48.82400 37.30600 1.000 33.26000 ? 211 HOH A O   1 
HETATM 2742 O  O   . HOH L 4 .  ? 49.10700 53.12700 15.85000 1.000 32.10000 ? 212 HOH A O   1 
HETATM 2743 O  O   . HOH L 4 .  ? 46.06400 60.99600 26.41000 1.000 35.19000 ? 213 HOH A O   1 
HETATM 2744 O  O   . HOH L 4 .  ? 34.53500 39.08500 31.16700 1.000 29.98000 ? 214 HOH A O   1 
HETATM 2745 O  O   . HOH L 4 .  ? 48.06400 37.74700 37.10300 1.000 25.79000 ? 215 HOH A O   1 
HETATM 2746 O  O   . HOH L 4 .  ? 41.25500 46.29800 39.49000 1.000 38.49000 ? 216 HOH A O   1 
HETATM 2747 O  O   . HOH L 4 .  ? 37.54900 48.14400 19.95700 1.000 28.48000 ? 217 HOH A O   1 
HETATM 2748 O  O   . HOH L 4 .  ? 41.49200 47.23000 17.41000 1.000 22.33000 ? 218 HOH A O   1 
HETATM 2749 O  O   . HOH L 4 .  ? 33.77900 40.47800 19.79200 1.000 41.40000 ? 219 HOH A O   1 
HETATM 2750 O  O   . HOH L 4 .  ? 34.02000 39.63700 13.20800 1.000 28.37000 ? 220 HOH A O   1 
HETATM 2751 O  O   . HOH L 4 .  ? 40.26900 40.59100 33.29400 1.000 21.23000 ? 221 HOH A O   1 
HETATM 2752 O  O   . HOH L 4 .  ? 53.38100 50.77500 20.53700 1.000 25.57000 ? 222 HOH A O   1 
HETATM 2753 O  O   . HOH L 4 .  ? 56.28700 42.42000 16.27400 1.000 28.93000 ? 223 HOH A O   1 
HETATM 2754 O  O   . HOH L 4 .  ? 53.94100 63.09000 27.91200 1.000 41.56000 ? 224 HOH A O   1 
HETATM 2755 O  O   . HOH L 4 .  ? 54.35500 48.45700 19.28300 1.000 29.31000 ? 225 HOH A O   1 
HETATM 2756 O  O   . HOH L 4 .  ? 49.26200 56.50200 18.11600 1.000 28.71000 ? 226 HOH A O   1 
HETATM 2757 O  O   . HOH L 4 .  ? 46.53600 45.42000 14.55900 1.000 19.99000 ? 227 HOH A O   1 
HETATM 2758 O  O   . HOH L 4 .  ? 52.03700 59.46900 34.50300 1.000 32.07000 ? 228 HOH A O   1 
HETATM 2759 O  O   . HOH L 4 .  ? 60.27300 47.33700 27.95000 1.000 27.46000 ? 229 HOH A O   1 
HETATM 2760 O  O   . HOH L 4 .  ? 49.21200 34.60400 25.90800 1.000 32.82000 ? 230 HOH A O   1 
HETATM 2761 O  O   . HOH L 4 .  ? 43.90800 32.68600 20.11700 1.000 48.92000 ? 231 HOH A O   1 
HETATM 2762 O  O   . HOH L 4 .  ? 40.32500 43.60800 35.94000 1.000 22.69000 ? 232 HOH A O   1 
HETATM 2763 O  O   . HOH L 4 .  ? 57.97900 45.73500 18.35400 1.000 37.42000 ? 233 HOH A O   1 
HETATM 2764 O  O   . HOH L 4 .  ? 50.30100 41.24600 36.81600 1.000 19.00000 ? 234 HOH A O   1 
HETATM 2765 O  O   . HOH L 4 .  ? 53.60900 54.66300 37.01600 1.000 25.25000 ? 235 HOH A O   1 
HETATM 2766 O  O   . HOH L 4 .  ? 41.27800 58.64100 25.67000 1.000 30.93000 ? 236 HOH A O   1 
HETATM 2767 O  O   . HOH L 4 .  ? 45.17700 55.64200 38.94900 1.000 37.96000 ? 237 HOH A O   1 
HETATM 2768 O  O   . HOH L 4 .  ? 58.47400 42.50700 22.13100 1.000 23.50000 ? 238 HOH A O   1 
HETATM 2769 O  O   . HOH L 4 .  ? 59.35300 57.67900 31.20400 1.000 44.43000 ? 239 HOH A O   1 
HETATM 2770 O  O   . HOH L 4 .  ? 44.30700 47.80500 40.91800 1.000 25.54000 ? 240 HOH A O   1 
HETATM 2771 O  O   . HOH L 4 .  ? 43.20600 54.68900 35.69200 1.000 19.71000 ? 241 HOH A O   1 
HETATM 2772 O  O   . HOH L 4 .  ? 45.76000 62.17900 32.92900 1.000 40.66000 ? 242 HOH A O   1 
HETATM 2773 O  O   . HOH L 4 .  ? 54.29500 53.52100 26.39200 1.000 26.95000 ? 243 HOH A O   1 
HETATM 2774 O  O   . HOH L 4 .  ? 36.38100 51.17500 25.81600 1.000 22.88000 ? 244 HOH A O   1 
HETATM 2775 O  O   . HOH L 4 .  ? 50.66200 36.45000 27.73200 1.000 20.94000 ? 245 HOH A O   1 
HETATM 2776 O  O   . HOH L 4 .  ? 51.93600 45.07700 12.25500 1.000 44.53000 ? 246 HOH A O   1 
HETATM 2777 O  O   . HOH L 4 .  ? 60.73700 50.49700 24.87600 1.000 41.73000 ? 247 HOH A O   1 
HETATM 2778 O  O   . HOH L 4 .  ? 30.33300 43.89900 29.67200 1.000 36.84000 ? 248 HOH A O   1 
HETATM 2779 O  O   . HOH L 4 .  ? 46.08000 50.18400 38.63700 1.000 29.64000 ? 249 HOH A O   1 
HETATM 2780 O  O   . HOH L 4 .  ? 58.15800 43.66700 19.51100 1.000 31.46000 ? 250 HOH A O   1 
HETATM 2781 O  O   . HOH L 4 .  ? 53.67900 51.06000 39.08800 1.000 17.75000 ? 251 HOH A O   1 
HETATM 2782 O  O   . HOH L 4 .  ? 35.83600 50.14400 20.94100 1.000 39.52000 ? 252 HOH A O   1 
HETATM 2783 O  O   . HOH L 4 .  ? 28.02400 44.29400 33.49400 1.000 52.43000 ? 253 HOH A O   1 
HETATM 2784 O  O   . HOH L 4 .  ? 54.28200 52.85700 23.80600 1.000 31.56000 ? 254 HOH A O   1 
HETATM 2785 O  O   . HOH L 4 .  ? 55.34300 57.20500 34.21800 1.000 31.62000 ? 255 HOH A O   1 
HETATM 2786 O  O   . HOH L 4 .  ? 41.27200 54.46100 40.83600 1.000 29.27000 ? 256 HOH A O   1 
HETATM 2787 O  O   . HOH L 4 .  ? 42.75200 34.40000 24.62600 1.000 29.87000 ? 257 HOH A O   1 
HETATM 2788 O  O   . HOH L 4 .  ? 39.98700 34.15400 30.28300 1.000 36.65000 ? 258 HOH A O   1 
HETATM 2789 O  O   . HOH L 4 .  ? 49.85600 62.09800 32.38700 1.000 29.87000 ? 259 HOH A O   1 
HETATM 2790 O  O   . HOH L 4 .  ? 45.96400 50.36500 15.48000 1.000 23.30000 ? 260 HOH A O   1 
HETATM 2791 O  O   . HOH L 4 .  ? 53.63700 55.08800 22.88000 1.000 39.24000 ? 261 HOH A O   1 
HETATM 2792 O  O   . HOH L 4 .  ? 41.89300 44.76600 16.13800 1.000 21.40000 ? 262 HOH A O   1 
HETATM 2793 O  O   . HOH L 4 .  ? 37.21000 44.04800 15.44600 1.000 25.74000 ? 263 HOH A O   1 
HETATM 2794 O  O   . HOH L 4 .  ? 50.99700 52.28800 19.91700 1.000 25.09000 ? 264 HOH A O   1 
HETATM 2795 O  O   . HOH L 4 .  ? 42.94700 42.62400 35.97500 1.000 16.34000 ? 265 HOH A O   1 
HETATM 2796 O  O   . HOH L 4 .  ? 61.28300 50.20900 22.71700 1.000 43.98000 ? 266 HOH A O   1 
HETATM 2797 O  O   . HOH L 4 .  ? 46.969   58.906   24.269   1.000 28.70000 ? 267 HOH A O   1 
HETATM 2798 O  O   . HOH L 4 .  ? 51.39800 62.04900 25.40800 1.000 35.57000 ? 268 HOH A O   1 
HETATM 2799 O  O   . HOH L 4 .  ? 34.23700 42.00700 13.43900 1.000 34.24000 ? 269 HOH A O   1 
HETATM 2800 O  O   . HOH L 4 .  ? 56.60200 54.37800 25.59100 1.000 36.33000 ? 270 HOH A O   1 
HETATM 2801 O  O   . HOH L 4 .  ? 36.18500 53.63600 26.92900 1.000 37.83000 ? 271 HOH A O   1 
HETATM 2802 O  O   . HOH L 4 .  ? 52.52600 36.54200 23.13500 1.000 26.94000 ? 272 HOH A O   1 
HETATM 2803 O  O   . HOH L 4 .  ? 41.52800 54.93500 18.52400 1.000 22.07000 ? 273 HOH A O   1 
HETATM 2804 O  O   . HOH L 4 .  ? 52.28600 48.59900 38.67400 1.000 11.50000 ? 274 HOH A O   1 
HETATM 2805 O  O   . HOH L 4 .  ? 40.36600 36.80100 35.90700 1.000 30.01000 ? 275 HOH A O   1 
HETATM 2806 O  O   . HOH L 4 .  ? 47.98400 36.63000 31.39600 1.000 24.70000 ? 276 HOH A O   1 
HETATM 2807 O  O   . HOH L 4 .  ? 45.57000 57.80300 36.65600 1.000 27.58000 ? 277 HOH A O   1 
HETATM 2808 O  O   . HOH L 4 .  ? 54.80300 49.17600 16.64800 1.000 33.73000 ? 278 HOH A O   1 
HETATM 2809 O  O   . HOH L 4 .  ? 51.48900 52.76200 39.84800 1.000 27.78000 ? 279 HOH A O   1 
HETATM 2810 O  O   . HOH L 4 .  ? 39.65000 45.69000 37.46100 1.000 25.92000 ? 280 HOH A O   1 
HETATM 2811 O  O   . HOH L 4 .  ? 39.93400 55.45400 21.14600 1.000 21.73000 ? 281 HOH A O   1 
HETATM 2812 O  O   . HOH L 4 .  ? 54.46700 36.55000 19.25900 1.000 38.98000 ? 282 HOH A O   1 
HETATM 2813 O  O   . HOH L 4 .  ? 38.96200 33.99900 20.29900 1.000 53.12000 ? 283 HOH A O   1 
HETATM 2814 O  O   . HOH L 4 .  ? 60.56000 53.20700 31.27900 1.000 39.29000 ? 284 HOH A O   1 
HETATM 2815 O  O   . HOH L 4 .  ? 36.660   48.683   44.282   1.000 39.41000 ? 285 HOH A O   1 
HETATM 2816 O  O   . HOH L 4 .  ? 42.98900 50.30100 41.41300 1.000 32.78000 ? 286 HOH A O   1 
HETATM 2817 O  O   . HOH L 4 .  ? 34.580   56.910   34.916   1.000 46.03000 ? 287 HOH A O   1 
HETATM 2818 O  O   . HOH L 4 .  ? 54.73300 36.25100 21.99500 1.000 31.40000 ? 288 HOH A O   1 
HETATM 2819 O  O   . HOH L 4 .  ? 35.58500 51.03700 23.01300 1.000 40.30000 ? 289 HOH A O   1 
HETATM 2820 O  O   . HOH L 4 .  ? 44.32400 51.65700 39.96000 1.000 34.54000 ? 290 HOH A O   1 
HETATM 2821 O  O   . HOH L 4 .  ? 42.52000 40.13600 34.94900 1.000 19.73000 ? 291 HOH A O   1 
HETATM 2822 O  O   . HOH L 4 .  ? 40.35300 34.55600 26.18300 1.000 46.50000 ? 292 HOH A O   1 
HETATM 2823 O  O   . HOH L 4 .  ? 55.65200 46.86700 39.72400 1.000 23.48000 ? 293 HOH A O   1 
HETATM 2824 O  O   . HOH L 4 .  ? 43.97200 53.64200 38.10100 1.000 29.62000 ? 294 HOH A O   1 
HETATM 2825 O  O   . HOH L 4 .  ? 55.51000 58.87200 24.50300 1.000 41.50000 ? 295 HOH A O   1 
HETATM 2826 O  O   . HOH L 4 .  ? 57.83300 53.87500 38.28900 1.000 29.43000 ? 296 HOH A O   1 
HETATM 2827 O  O   . HOH L 4 .  ? 33.51600 47.11500 35.64900 1.000 45.79000 ? 297 HOH A O   1 
HETATM 2828 O  O   . HOH L 4 .  ? 47.27700 48.17900 14.33700 1.000 29.03000 ? 298 HOH A O   1 
HETATM 2829 O  O   . HOH L 4 .  ? 47.11200 52.41100 13.73800 1.000 28.50000 ? 299 HOH A O   1 
HETATM 2830 O  O   . HOH L 4 .  ? 55.36500 52.65400 19.84100 1.000 41.69000 ? 300 HOH A O   1 
HETATM 2831 O  O   . HOH L 4 .  ? 31.99300 42.88100 31.28000 1.000 46.64000 ? 301 HOH A O   1 
HETATM 2832 O  O   . HOH L 4 .  ? 34.27000 48.54800 37.50400 1.000 45.60000 ? 302 HOH A O   1 
HETATM 2833 O  O   . HOH L 4 .  ? 60.92300 47.25200 30.78500 1.000 36.74000 ? 303 HOH A O   1 
HETATM 2834 O  O   . HOH L 4 .  ? 33.127   36.398   21.950   1.000 33.08000 ? 304 HOH A O   1 
HETATM 2835 O  O   . HOH L 4 .  ? 41.91300 32.94900 32.13900 1.000 39.83000 ? 305 HOH A O   1 
HETATM 2836 O  O   . HOH L 4 .  ? 49.63000 50.16700 39.17300 1.000 20.35000 ? 306 HOH A O   1 
HETATM 2837 O  O   . HOH L 4 .  ? 57.57200 51.13000 19.76900 1.000 56.86000 ? 307 HOH A O   1 
HETATM 2838 O  O   . HOH L 4 .  ? 33.455   51.197   38.465   1.000 42.81000 ? 308 HOH A O   1 
HETATM 2839 O  O   . HOH L 4 .  ? 38.29000 33.85400 24.80000 1.000 45.46000 ? 309 HOH A O   1 
HETATM 2840 O  O   . HOH L 4 .  ? 58.34900 57.50200 35.15900 1.000 41.39000 ? 310 HOH A O   1 
HETATM 2841 O  O   . HOH L 4 .  ? 60.22600 52.69600 37.20200 1.000 44.93000 ? 311 HOH A O   1 
HETATM 2842 O  O   . HOH L 4 .  ? 37.76700 40.01400 35.05700 1.000 46.37000 ? 312 HOH A O   1 
HETATM 2843 O  O   . HOH L 4 .  ? 39.728   45.304   14.461   1.000 24.66000 ? 313 HOH A O   1 
HETATM 2844 O  O   . HOH L 4 .  ? 34.02400 45.43800 31.46600 1.000 37.94000 ? 314 HOH A O   1 
HETATM 2845 O  O   . HOH L 4 .  ? 31.12700 45.90800 31.30200 1.000 51.02000 ? 315 HOH A O   1 
HETATM 2846 O  O   . HOH L 4 .  ? 42.377   57.210   36.892   1.000 23.21000 ? 316 HOH A O   1 
HETATM 2847 O  O   . HOH L 4 .  ? 55.27900 56.89000 37.06800 1.000 38.43000 ? 317 HOH A O   1 
HETATM 2848 O  O   . HOH L 4 .  ? 50.44400 34.82000 29.86400 1.000 35.06000 ? 318 HOH A O   1 
HETATM 2849 O  O   . HOH L 4 .  ? 51.88000 54.64100 20.45900 1.000 42.70000 ? 319 HOH A O   1 
HETATM 2850 O  O   . HOH L 4 .  ? 62.90000 48.05200 26.90900 1.000 43.25000 ? 320 HOH A O   1 
HETATM 2851 O  O   . HOH L 4 .  ? 44.60400 46.29300 45.12900 1.000 43.54000 ? 321 HOH A O   1 
HETATM 2852 O  O   . HOH L 4 .  ? 50.53300 34.47500 23.65600 1.000 37.16000 ? 322 HOH A O   1 
HETATM 2853 O  O   . HOH L 4 .  ? 42.94400 45.81200 42.14900 1.000 32.68000 ? 323 HOH A O   1 
HETATM 2854 O  O   . HOH L 4 .  ? 53.43700 64.15600 30.19300 1.000 44.44000 ? 324 HOH A O   1 
HETATM 2855 O  O   . HOH L 4 .  ? 43.85100 44.79900 14.46600 1.000 25.47000 ? 325 HOH A O   1 
HETATM 2856 O  O   . HOH L 4 .  ? 44.420   57.303   40.761   1.000 31.94000 ? 326 HOH A O   1 
HETATM 2857 O  O   . HOH L 4 .  ? 43.31700 50.38600 14.80800 1.000 30.56000 ? 327 HOH A O   1 
HETATM 2858 O  O   . HOH L 4 .  ? 54.24100 51.71200 15.75300 1.000 40.28000 ? 328 HOH A O   1 
HETATM 2859 O  O   . HOH L 4 .  ? 39.09800 48.29900 17.01400 1.000 41.27000 ? 329 HOH A O   1 
HETATM 2860 O  O   . HOH L 4 .  ? 47.783   51.286   11.432   1.000 38.58000 ? 330 HOH A O   1 
HETATM 2861 O  O   . HOH L 4 .  ? 37.26100 55.13900 21.56500 1.000 53.21000 ? 331 HOH A O   1 
HETATM 2862 O  O   . HOH L 4 .  ? 47.383   48.840   11.594   1.000 35.77000 ? 332 HOH A O   1 
HETATM 2863 O  O   . HOH L 4 .  ? 43.334   47.609   13.174   1.000 32.57000 ? 333 HOH A O   1 
HETATM 2864 O  O   . HOH L 4 .  ? 49.074   46.981   10.898   1.000 35.84000 ? 334 HOH A O   1 
HETATM 2865 O  O   . HOH M 4 .  ? 48.71300 51.42400 45.78700 1.000 40.52000 ? 201 HOH B O   1 
HETATM 2866 O  O   . HOH M 4 .  ? 69.01700 49.01100 65.10200 1.000 42.77000 ? 202 HOH B O   1 
HETATM 2867 O  O   . HOH M 4 .  ? 73.58400 46.60000 48.64500 1.000 31.22000 ? 203 HOH B O   1 
HETATM 2868 O  O   . HOH M 4 .  ? 62.85600 48.05300 64.86600 1.000 37.93000 ? 204 HOH B O   1 
HETATM 2869 O  O   . HOH M 4 .  ? 69.38100 46.07900 42.52900 1.000 27.68000 ? 205 HOH B O   1 
HETATM 2870 O  O   . HOH M 4 .  ? 72.39300 43.00900 44.82500 1.000 27.54000 ? 206 HOH B O   1 
HETATM 2871 O  O   . HOH M 4 .  ? 48.88500 46.45300 52.05500 1.000 25.45000 ? 207 HOH B O   1 
HETATM 2872 O  O   . HOH M 4 .  ? 71.24800 34.46900 61.12200 1.000 28.19000 ? 208 HOH B O   1 
HETATM 2873 O  O   . HOH M 4 .  ? 66.63300 58.29600 52.09900 1.000 36.90000 ? 209 HOH B O   1 
HETATM 2874 O  O   . HOH M 4 .  ? 52.67300 40.57600 63.30400 1.000 30.95000 ? 210 HOH B O   1 
HETATM 2875 O  O   . HOH M 4 .  ? 63.84200 59.78400 54.66300 1.000 45.42000 ? 211 HOH B O   1 
HETATM 2876 O  O   . HOH M 4 .  ? 72.02000 49.15900 43.06400 1.000 32.18000 ? 212 HOH B O   1 
HETATM 2877 O  O   . HOH M 4 .  ? 52.44300 53.42600 54.58400 1.000 39.19000 ? 213 HOH B O   1 
HETATM 2878 O  O   . HOH M 4 .  ? 64.78700 48.05400 39.34000 1.000 36.63000 ? 214 HOH B O   1 
HETATM 2879 O  O   . HOH M 4 .  ? 55.30500 54.42300 43.84000 1.000 27.98000 ? 215 HOH B O   1 
HETATM 2880 O  O   . HOH M 4 .  ? 56.72100 35.46800 61.13100 1.000 25.93000 ? 216 HOH B O   1 
HETATM 2881 O  O   . HOH M 4 .  ? 60.15000 61.35700 48.37500 1.000 37.12000 ? 217 HOH B O   1 
HETATM 2882 O  O   . HOH M 4 .  ? 63.26700 61.62700 48.39900 1.000 38.06000 ? 218 HOH B O   1 
HETATM 2883 O  O   . HOH M 4 .  ? 56.16400 60.41300 56.10100 1.000 37.84000 ? 219 HOH B O   1 
HETATM 2884 O  O   . HOH M 4 .  ? 72.70800 50.28800 54.28400 1.000 26.34000 ? 220 HOH B O   1 
HETATM 2885 O  O   . HOH M 4 .  ? 58.71200 41.15400 42.74000 1.000 22.59000 ? 221 HOH B O   1 
HETATM 2886 O  O   . HOH M 4 .  ? 54.82500 52.61300 54.04700 1.000 26.17000 ? 222 HOH B O   1 
HETATM 2887 O  O   . HOH M 4 .  ? 67.43600 55.97800 50.76500 1.000 53.57000 ? 223 HOH B O   1 
HETATM 2888 O  O   . HOH M 4 .  ? 74.92900 37.73300 66.12300 1.000 27.50000 ? 224 HOH B O   1 
HETATM 2889 O  O   . HOH M 4 .  ? 68.37200 32.35300 60.19000 1.000 37.81000 ? 225 HOH B O   1 
HETATM 2890 O  O   . HOH M 4 .  ? 60.65100 38.00000 41.72000 1.000 28.28000 ? 226 HOH B O   1 
HETATM 2891 O  O   . HOH M 4 .  ? 61.37500 60.56500 55.53300 1.000 32.81000 ? 227 HOH B O   1 
HETATM 2892 O  O   . HOH M 4 .  ? 74.48100 38.28300 48.11600 1.000 31.63000 ? 228 HOH B O   1 
HETATM 2893 O  O   . HOH M 4 .  ? 50.61800 41.05400 57.54300 1.000 24.03000 ? 229 HOH B O   1 
HETATM 2894 O  O   . HOH M 4 .  ? 50.92600 41.91600 60.31500 1.000 29.24000 ? 230 HOH B O   1 
HETATM 2895 O  O   . HOH M 4 .  ? 53.98700 56.71300 46.55900 1.000 34.90000 ? 231 HOH B O   1 
HETATM 2896 O  O   . HOH M 4 .  ? 57.40200 59.10700 46.37400 1.000 34.94000 ? 232 HOH B O   1 
HETATM 2897 O  O   . HOH M 4 .  ? 57.56700 52.68700 40.61100 1.000 26.44000 ? 233 HOH B O   1 
HETATM 2898 O  O   . HOH M 4 .  ? 71.43000 46.71400 60.15400 1.000 31.35000 ? 234 HOH B O   1 
HETATM 2899 O  O   . HOH M 4 .  ? 66.84300 42.86600 63.46400 1.000 26.31000 ? 235 HOH B O   1 
HETATM 2900 O  O   . HOH M 4 .  ? 54.38700 50.09400 53.99000 1.000 24.47000 ? 236 HOH B O   1 
HETATM 2901 O  O   . HOH M 4 .  ? 55.47400 49.13400 59.92500 1.000 29.06000 ? 237 HOH B O   1 
HETATM 2902 O  O   . HOH M 4 .  ? 67.61600 45.51800 62.89600 1.000 28.52000 ? 238 HOH B O   1 
HETATM 2903 O  O   . HOH M 4 .  ? 54.59800 51.48000 56.68700 1.000 31.66000 ? 239 HOH B O   1 
HETATM 2904 O  O   . HOH M 4 .  ? 48.14500 49.37600 55.16800 1.000 38.61000 ? 240 HOH B O   1 
HETATM 2905 O  O   . HOH M 4 .  ? 68.80600 56.66400 44.71500 1.000 41.62000 ? 241 HOH B O   1 
HETATM 2906 O  O   . HOH M 4 .  ? 55.27600 51.04500 41.21900 1.000 17.36000 ? 242 HOH B O   1 
HETATM 2907 O  O   . HOH M 4 .  ? 63.01100 50.33100 41.91500 1.000 32.20000 ? 243 HOH B O   1 
HETATM 2908 O  O   . HOH M 4 .  ? 57.88600 50.32700 60.57300 1.000 25.92000 ? 244 HOH B O   1 
HETATM 2909 O  O   . HOH M 4 .  ? 66.35100 33.30400 54.31700 1.000 30.76000 ? 245 HOH B O   1 
HETATM 2910 O  O   . HOH M 4 .  ? 65.92700 54.20300 44.83900 1.000 24.49000 ? 246 HOH B O   1 
HETATM 2911 O  O   . HOH M 4 .  ? 68.64200 43.69200 43.71100 1.000 22.51000 ? 247 HOH B O   1 
HETATM 2912 O  O   . HOH M 4 .  ? 69.23000 33.47300 48.87200 1.000 37.19000 ? 248 HOH B O   1 
HETATM 2913 O  O   . HOH M 4 .  ? 66.15700 42.60200 43.65500 1.000 18.75000 ? 249 HOH B O   1 
HETATM 2914 O  O   . HOH M 4 .  ? 61.99200 55.21500 61.65800 1.000 29.95000 ? 250 HOH B O   1 
HETATM 2915 O  O   . HOH M 4 .  ? 78.87200 42.59700 49.68000 1.000 32.30000 ? 251 HOH B O   1 
HETATM 2916 O  O   . HOH M 4 .  ? 58.40900 35.50300 51.20600 1.000 22.61000 ? 252 HOH B O   1 
HETATM 2917 O  O   . HOH M 4 .  ? 72.36400 42.38600 63.67400 1.000 25.66000 ? 253 HOH B O   1 
HETATM 2918 O  O   . HOH M 4 .  ? 66.95200 53.12700 62.55900 1.000 25.65000 ? 254 HOH B O   1 
HETATM 2919 O  O   . HOH M 4 .  ? 62.47600 43.25300 65.46600 1.000 30.45000 ? 255 HOH B O   1 
HETATM 2920 O  O   . HOH M 4 .  ? 55.81500 38.09200 41.59700 1.000 29.70000 ? 256 HOH B O   1 
HETATM 2921 O  O   . HOH M 4 .  ? 81.83800 43.54500 56.27900 1.000 44.40000 ? 257 HOH B O   1 
HETATM 2922 O  O   . HOH M 4 .  ? 74.01100 42.07700 61.55800 1.000 30.45000 ? 258 HOH B O   1 
HETATM 2923 O  O   . HOH M 4 .  ? 74.96400 42.08500 48.51100 1.000 35.09000 ? 259 HOH B O   1 
HETATM 2924 O  O   . HOH M 4 .  ? 46.93900 46.96500 45.22800 1.000 37.10000 ? 260 HOH B O   1 
HETATM 2925 O  O   . HOH M 4 .  ? 57.73300 55.03800 59.40400 1.000 40.00000 ? 261 HOH B O   1 
HETATM 2926 O  O   . HOH M 4 .  ? 79.27600 50.05900 46.84800 1.000 41.50000 ? 262 HOH B O   1 
HETATM 2927 O  O   . HOH M 4 .  ? 79.84700 43.44100 57.32600 1.000 36.30000 ? 263 HOH B O   1 
HETATM 2928 O  O   . HOH M 4 .  ? 68.92500 40.42500 46.20400 1.000 20.08000 ? 264 HOH B O   1 
HETATM 2929 O  O   . HOH M 4 .  ? 59.26100 47.27000 66.77000 1.000 36.66000 ? 265 HOH B O   1 
HETATM 2930 O  O   . HOH M 4 .  ? 54.25200 34.81700 57.64800 1.000 35.39000 ? 266 HOH B O   1 
HETATM 2931 O  O   . HOH M 4 .  ? 73.40100 44.92200 59.29200 1.000 37.26000 ? 267 HOH B O   1 
HETATM 2932 O  O   . HOH M 4 .  ? 59.72200 33.77000 52.95100 1.000 37.70000 ? 268 HOH B O   1 
HETATM 2933 O  O   . HOH M 4 .  ? 68.90000 37.36200 43.23300 1.000 29.30000 ? 269 HOH B O   1 
HETATM 2934 O  O   . HOH M 4 .  ? 74.20800 53.53100 50.49600 1.000 48.83000 ? 270 HOH B O   1 
HETATM 2935 O  O   . HOH M 4 .  ? 67.34700 33.03400 56.71100 1.000 33.86000 ? 271 HOH B O   1 
HETATM 2936 O  O   . HOH M 4 .  ? 60.35900 57.10000 60.83700 1.000 33.71000 ? 272 HOH B O   1 
HETATM 2937 O  O   . HOH M 4 .  ? 56.70800 48.56700 41.48100 1.000 12.55000 ? 273 HOH B O   1 
HETATM 2938 O  O   . HOH M 4 .  ? 63.46300 57.34200 43.96200 1.000 31.14000 ? 274 HOH B O   1 
HETATM 2939 O  O   . HOH M 4 .  ? 69.04600 53.95900 59.17100 1.000 23.12000 ? 275 HOH B O   1 
HETATM 2940 O  O   . HOH M 4 .  ? 54.53300 47.12900 60.94900 1.000 33.67000 ? 276 HOH B O   1 
HETATM 2941 O  O   . HOH M 4 .  ? 59.40200 50.17700 41.13400 1.000 20.22000 ? 277 HOH B O   1 
HETATM 2942 O  O   . HOH M 4 .  ? 54.29300 47.22400 63.32800 1.000 43.30000 ? 278 HOH B O   1 
HETATM 2943 O  O   . HOH M 4 .  ? 64.99200 52.21100 40.33800 1.000 45.31000 ? 279 HOH B O   1 
HETATM 2944 O  O   . HOH M 4 .  ? 66.603   46.109   65.629   1.000 50.25000 ? 280 HOH B O   1 
HETATM 2945 O  O   . HOH M 4 .  ? 65.020   47.716   68.581   1.000 40.11000 ? 281 HOH B O   1 
HETATM 2946 O  O   . HOH M 4 .  ? 58.443   42.750   67.325   1.000 37.01000 ? 282 HOH B O   1 
HETATM 2947 O  O   . HOH M 4 .  ? 61.42000 57.01900 42.40700 1.000 39.35000 ? 283 HOH B O   1 
HETATM 2948 O  O   . HOH M 4 .  ? 60.57500 51.60800 64.20500 1.000 41.80000 ? 284 HOH B O   1 
HETATM 2949 O  O   . HOH M 4 .  ? 65.573   32.446   63.157   1.000 40.79000 ? 285 HOH B O   1 
HETATM 2950 O  O   . HOH M 4 .  ? 74.88600 46.36400 44.01900 1.000 40.74000 ? 286 HOH B O   1 
HETATM 2951 O  O   . HOH M 4 .  ? 65.71200 50.39800 38.62900 1.000 42.05000 ? 287 HOH B O   1 
HETATM 2952 O  O   . HOH M 4 .  ? 74.65700 48.83500 42.30900 1.000 38.48000 ? 288 HOH B O   1 
HETATM 2953 O  O   . HOH M 4 .  ? 73.668   57.694   47.663   1.000 45.77000 ? 289 HOH B O   1 
HETATM 2954 O  O   . HOH M 4 .  ? 48.13600 52.48600 48.93100 1.000 40.41000 ? 290 HOH B O   1 
HETATM 2955 O  O   . HOH M 4 .  ? 74.79100 44.42700 45.53800 1.000 46.05000 ? 291 HOH B O   1 
HETATM 2956 O  O   . HOH M 4 .  ? 69.02200 33.58200 52.87800 1.000 35.90000 ? 292 HOH B O   1 
HETATM 2957 O  O   . HOH M 4 .  ? 47.93100 47.36700 58.63500 1.000 54.10000 ? 293 HOH B O   1 
HETATM 2958 O  O   . HOH M 4 .  ? 50.98000 53.69900 42.37800 1.000 33.87000 ? 294 HOH B O   1 
HETATM 2959 O  O   . HOH M 4 .  ? 53.22200 46.68400 40.23800 1.000 26.20000 ? 295 HOH B O   1 
HETATM 2960 O  O   . HOH M 4 .  ? 75.889   35.087   57.073   1.000 38.22000 ? 296 HOH B O   1 
HETATM 2961 O  O   . HOH M 4 .  ? 47.77400 45.04400 59.66300 1.000 51.54000 ? 297 HOH B O   1 
HETATM 2962 O  O   . HOH M 4 .  ? 72.54400 53.11200 53.11000 1.000 48.35000 ? 298 HOH B O   1 
HETATM 2963 O  O   . HOH M 4 .  ? 69.55300 41.46000 42.18300 1.000 24.74000 ? 299 HOH B O   1 
HETATM 2964 O  O   . HOH M 4 .  ? 61.99800 48.46700 37.97800 1.000 32.89000 ? 300 HOH B O   1 
HETATM 2965 O  O   . HOH M 4 .  ? 64.376   45.457   66.677   1.000 37.52000 ? 301 HOH B O   1 
HETATM 2966 O  O   . HOH M 4 .  ? 75.30200 44.80800 48.01700 1.000 41.17000 ? 302 HOH B O   1 
HETATM 2967 O  O   . HOH M 4 .  ? 52.234   59.864   54.177   1.000 45.86000 ? 303 HOH B O   1 
HETATM 2968 O  O   . HOH M 4 .  ? 66.77600 40.05400 44.51400 1.000 23.01000 ? 304 HOH B O   1 
HETATM 2969 O  O   . HOH M 4 .  ? 76.691   37.244   58.052   1.000 40.15000 ? 305 HOH B O   1 
HETATM 2970 O  O   . HOH M 4 .  ? 53.65100 56.68500 43.76600 1.000 40.57000 ? 306 HOH B O   1 
HETATM 2971 O  O   . HOH M 4 .  ? 58.54700 34.31800 48.47000 1.000 33.23000 ? 307 HOH B O   1 
HETATM 2972 O  O   . HOH M 4 .  ? 65.56000 46.50300 37.32500 1.000 33.50000 ? 308 HOH B O   1 
HETATM 2973 O  O   . HOH M 4 .  ? 69.92700 46.46700 63.45400 1.000 30.45000 ? 309 HOH B O   1 
HETATM 2974 O  O   . HOH M 4 .  ? 55.07200 55.57100 41.31500 1.000 52.48000 ? 310 HOH B O   1 
HETATM 2975 O  O   . HOH M 4 .  ? 77.40900 38.42900 47.68500 1.000 37.67000 ? 311 HOH B O   1 
HETATM 2976 O  O   . HOH M 4 .  ? 60.175   44.087   67.038   1.000 40.30000 ? 312 HOH B O   1 
HETATM 2977 O  O   . HOH M 4 .  ? 70.47300 44.31200 64.69700 1.000 34.83000 ? 313 HOH B O   1 
HETATM 2978 O  O   . HOH M 4 .  ? 70.654   55.975   56.180   1.000 42.57000 ? 314 HOH B O   1 
HETATM 2979 O  O   . HOH M 4 .  ? 65.686   42.631   65.869   1.000 37.83000 ? 315 HOH B O   1 
HETATM 2980 O  O   . HOH M 4 .  ? 69.75400 30.42400 58.93600 1.000 47.73000 ? 316 HOH B O   1 
HETATM 2981 O  O   . HOH M 4 .  ? 54.17700 49.48000 64.24200 1.000 46.28000 ? 317 HOH B O   1 
HETATM 2982 O  O   . HOH N 4 .  ? 55.04500 28.34900 42.51300 1.000 30.11000 ? 201 HOH C O   1 
HETATM 2983 O  O   . HOH N 4 .  ? 28.70100 35.53600 58.39100 1.000 34.95000 ? 202 HOH C O   1 
HETATM 2984 O  O   . HOH N 4 .  ? 38.54600 22.58400 42.42800 1.000 44.96000 ? 203 HOH C O   1 
HETATM 2985 O  O   . HOH N 4 .  ? 53.52200 23.69800 41.13800 1.000 46.67000 ? 204 HOH C O   1 
HETATM 2986 O  O   . HOH N 4 .  ? 23.79500 32.41600 54.79500 1.000 45.39000 ? 205 HOH C O   1 
HETATM 2987 O  O   . HOH N 4 .  ? 48.13900 25.79300 53.58100 1.000 29.34000 ? 206 HOH C O   1 
HETATM 2988 O  O   . HOH N 4 .  ? 56.60100 35.37300 53.44500 1.000 28.28000 ? 207 HOH C O   1 
HETATM 2989 O  O   . HOH N 4 .  ? 42.30000 34.22300 34.87600 1.000 39.66000 ? 208 HOH C O   1 
HETATM 2990 O  O   . HOH N 4 .  ? 38.32600 31.46700 35.62600 1.000 40.15000 ? 209 HOH C O   1 
HETATM 2991 O  O   . HOH N 4 .  ? 46.59800 23.41100 37.66600 1.000 36.89000 ? 210 HOH C O   1 
HETATM 2992 O  O   . HOH N 4 .  ? 54.79200 31.76000 48.16900 1.000 24.23000 ? 211 HOH C O   1 
HETATM 2993 O  O   . HOH N 4 .  ? 48.82100 25.49200 46.94200 1.000 37.36000 ? 212 HOH C O   1 
HETATM 2994 O  O   . HOH N 4 .  ? 49.26300 27.86600 48.17900 1.000 27.58000 ? 213 HOH C O   1 
HETATM 2995 O  O   . HOH N 4 .  ? 48.07200 32.35700 36.37200 1.000 27.69000 ? 214 HOH C O   1 
HETATM 2996 O  O   . HOH N 4 .  ? 47.25100 37.17400 61.47100 1.000 25.71000 ? 215 HOH C O   1 
HETATM 2997 O  O   . HOH N 4 .  ? 39.44000 18.18700 60.25400 1.000 39.03000 ? 216 HOH C O   1 
HETATM 2998 O  O   . HOH N 4 .  ? 29.46200 41.51700 48.95900 1.000 30.60000 ? 217 HOH C O   1 
HETATM 2999 O  O   . HOH N 4 .  ? 41.50100 20.01800 50.57600 1.000 40.20000 ? 218 HOH C O   1 
HETATM 3000 O  O   . HOH N 4 .  ? 41.03800 28.88300 61.38500 1.000 23.53000 ? 219 HOH C O   1 
HETATM 3001 O  O   . HOH N 4 .  ? 31.68300 38.61700 43.39700 1.000 34.13000 ? 220 HOH C O   1 
HETATM 3002 O  O   . HOH N 4 .  ? 52.32300 39.52200 38.54800 1.000 25.92000 ? 221 HOH C O   1 
HETATM 3003 O  O   . HOH N 4 .  ? 30.77300 33.43200 45.49000 1.000 30.37000 ? 222 HOH C O   1 
HETATM 3004 O  O   . HOH N 4 .  ? 29.02700 34.06100 65.12600 1.000 27.68000 ? 223 HOH C O   1 
HETATM 3005 O  O   . HOH N 4 .  ? 31.83400 30.82500 61.35000 1.000 23.91000 ? 224 HOH C O   1 
HETATM 3006 O  O   . HOH N 4 .  ? 55.43000 27.76700 49.54400 1.000 37.93000 ? 225 HOH C O   1 
HETATM 3007 O  O   . HOH N 4 .  ? 45.84100 27.76500 63.14500 1.000 39.55000 ? 226 HOH C O   1 
HETATM 3008 O  O   . HOH N 4 .  ? 34.13800 36.60100 39.87800 1.000 45.29000 ? 227 HOH C O   1 
HETATM 3009 O  O   . HOH N 4 .  ? 48.88800 27.41900 55.99500 1.000 30.30000 ? 228 HOH C O   1 
HETATM 3010 O  O   . HOH N 4 .  ? 49.64400 25.32500 38.57300 1.000 33.54000 ? 229 HOH C O   1 
HETATM 3011 O  O   . HOH N 4 .  ? 35.16100 45.19000 51.16300 1.000 31.07000 ? 230 HOH C O   1 
HETATM 3012 O  O   . HOH N 4 .  ? 36.01800 28.17300 58.05600 1.000 31.27000 ? 231 HOH C O   1 
HETATM 3013 O  O   . HOH N 4 .  ? 47.81700 28.71300 36.98600 1.000 29.80000 ? 232 HOH C O   1 
HETATM 3014 O  O   . HOH N 4 .  ? 52.84200 31.83900 57.52700 1.000 31.35000 ? 233 HOH C O   1 
HETATM 3015 O  O   . HOH N 4 .  ? 40.61500 33.49200 37.31000 1.000 30.54000 ? 234 HOH C O   1 
HETATM 3016 O  O   . HOH N 4 .  ? 53.36200 33.75800 55.43900 1.000 31.70000 ? 235 HOH C O   1 
HETATM 3017 O  O   . HOH N 4 .  ? 45.51100 24.34100 53.79000 1.000 27.20000 ? 236 HOH C O   1 
HETATM 3018 O  O   . HOH N 4 .  ? 24.907   36.854   48.534   1.000 35.37000 ? 237 HOH C O   1 
HETATM 3019 O  O   . HOH N 4 .  ? 51.11500 31.57300 61.00800 1.000 28.22000 ? 238 HOH C O   1 
HETATM 3020 O  O   . HOH N 4 .  ? 31.07500 27.78900 49.06600 1.000 30.73000 ? 239 HOH C O   1 
HETATM 3021 O  O   . HOH N 4 .  ? 43.51600 21.93000 56.75900 1.000 39.33000 ? 240 HOH C O   1 
HETATM 3022 O  O   . HOH N 4 .  ? 32.79100 43.47700 47.28900 1.000 46.97000 ? 241 HOH C O   1 
HETATM 3023 O  O   . HOH N 4 .  ? 29.09900 32.02600 63.81600 1.000 33.18000 ? 242 HOH C O   1 
HETATM 3024 O  O   . HOH N 4 .  ? 33.04800 39.53600 61.92700 1.000 31.39000 ? 243 HOH C O   1 
HETATM 3025 O  O   . HOH N 4 .  ? 45.58400 42.01700 52.53900 1.000 22.29000 ? 244 HOH C O   1 
HETATM 3026 O  O   . HOH N 4 .  ? 50.28200 36.43200 38.02500 1.000 21.91000 ? 245 HOH C O   1 
HETATM 3027 O  O   . HOH N 4 .  ? 36.68800 46.61000 49.79000 1.000 39.65000 ? 246 HOH C O   1 
HETATM 3028 O  O   . HOH N 4 .  ? 32.57100 28.34400 55.71200 1.000 41.63000 ? 247 HOH C O   1 
HETATM 3029 O  O   . HOH N 4 .  ? 40.73600 24.65600 58.85100 1.000 26.92000 ? 248 HOH C O   1 
HETATM 3030 O  O   . HOH N 4 .  ? 48.77400 25.10900 49.88400 1.000 33.96000 ? 249 HOH C O   1 
HETATM 3031 O  O   . HOH N 4 .  ? 34.81100 40.52800 45.88800 1.000 29.96000 ? 250 HOH C O   1 
HETATM 3032 O  O   . HOH N 4 .  ? 37.94300 42.88900 56.58800 1.000 29.97000 ? 251 HOH C O   1 
HETATM 3033 O  O   . HOH N 4 .  ? 32.34300 33.11400 38.89300 1.000 43.39000 ? 252 HOH C O   1 
HETATM 3034 O  O   . HOH N 4 .  ? 49.27900 25.84700 58.08100 1.000 30.01000 ? 253 HOH C O   1 
HETATM 3035 O  O   . HOH N 4 .  ? 44.11600 20.38700 37.98200 1.000 37.29000 ? 254 HOH C O   1 
HETATM 3036 O  O   . HOH N 4 .  ? 44.72800 43.63800 42.55800 1.000 21.19000 ? 255 HOH C O   1 
HETATM 3037 O  O   . HOH N 4 .  ? 28.97900 37.52200 47.29000 1.000 37.71000 ? 256 HOH C O   1 
HETATM 3038 O  O   . HOH N 4 .  ? 35.31600 26.04200 37.40100 1.000 41.21000 ? 257 HOH C O   1 
HETATM 3039 O  O   . HOH N 4 .  ? 42.70300 43.43300 48.99300 1.000 22.07000 ? 258 HOH C O   1 
HETATM 3040 O  O   . HOH N 4 .  ? 30.08000 32.13600 59.15900 1.000 31.55000 ? 259 HOH C O   1 
HETATM 3041 O  O   . HOH N 4 .  ? 35.04000 44.82500 44.94900 1.000 45.76000 ? 260 HOH C O   1 
HETATM 3042 O  O   . HOH N 4 .  ? 45.82400 30.47900 35.19800 1.000 37.49000 ? 261 HOH C O   1 
HETATM 3043 O  O   . HOH N 4 .  ? 54.93200 28.56700 45.59300 1.000 37.00000 ? 262 HOH C O   1 
HETATM 3044 O  O   . HOH N 4 .  ? 34.49300 21.95700 51.51100 1.000 33.08000 ? 263 HOH C O   1 
HETATM 3045 O  O   . HOH N 4 .  ? 37.94800 40.03800 42.54600 1.000 21.95000 ? 264 HOH C O   1 
HETATM 3046 O  O   . HOH N 4 .  ? 37.68900 28.69000 38.51400 1.000 30.90000 ? 265 HOH C O   1 
HETATM 3047 O  O   . HOH N 4 .  ? 47.73300 34.89800 38.19300 1.000 20.24000 ? 266 HOH C O   1 
HETATM 3048 O  O   . HOH N 4 .  ? 41.46200 39.13200 37.23000 1.000 24.44000 ? 267 HOH C O   1 
HETATM 3049 O  O   . HOH N 4 .  ? 36.44500 29.89500 60.16400 1.000 26.70000 ? 268 HOH C O   1 
HETATM 3050 O  O   . HOH N 4 .  ? 30.56100 30.26300 55.86600 1.000 39.09000 ? 269 HOH C O   1 
HETATM 3051 O  O   . HOH N 4 .  ? 32.49600 23.74700 38.81400 1.000 49.88000 ? 270 HOH C O   1 
HETATM 3052 O  O   . HOH N 4 .  ? 51.35400 24.13300 47.40100 1.000 40.99000 ? 271 HOH C O   1 
HETATM 3053 O  O   . HOH N 4 .  ? 30.63200 26.50800 53.84700 1.000 42.68000 ? 272 HOH C O   1 
HETATM 3054 O  O   . HOH N 4 .  ? 44.49100 24.12400 60.58400 1.000 45.79000 ? 273 HOH C O   1 
HETATM 3055 O  O   . HOH N 4 .  ? 41.18200 19.63300 46.79000 1.000 35.19000 ? 274 HOH C O   1 
HETATM 3056 O  O   . HOH N 4 .  ? 37.44400 43.94400 44.73500 1.000 36.27000 ? 275 HOH C O   1 
HETATM 3057 O  O   . HOH N 4 .  ? 40.12700 26.20100 36.15600 1.000 34.97000 ? 276 HOH C O   1 
HETATM 3058 O  O   . HOH N 4 .  ? 55.10900 28.93100 55.02800 1.000 40.38000 ? 277 HOH C O   1 
HETATM 3059 O  O   . HOH N 4 .  ? 37.27700 41.58000 44.77500 1.000 30.50000 ? 278 HOH C O   1 
HETATM 3060 O  O   . HOH N 4 .  ? 44.73500 42.67800 55.16800 1.000 27.40000 ? 279 HOH C O   1 
HETATM 3061 O  O   . HOH N 4 .  ? 52.05400 36.92600 58.07500 1.000 10.67000 ? 280 HOH C O   1 
HETATM 3062 O  O   . HOH N 4 .  ? 40.84300 20.12100 37.56500 1.000 45.84000 ? 281 HOH C O   1 
HETATM 3063 O  O   . HOH N 4 .  ? 27.81000 30.54700 52.11600 1.000 48.39000 ? 282 HOH C O   1 
HETATM 3064 O  O   . HOH N 4 .  ? 28.74900 35.90900 41.92000 1.000 50.25000 ? 283 HOH C O   1 
HETATM 3065 O  O   . HOH N 4 .  ? 38.617   47.536   46.265   1.000 51.22000 ? 284 HOH C O   1 
HETATM 3066 O  O   . HOH N 4 .  ? 49.92100 23.75700 53.41200 1.000 46.41000 ? 285 HOH C O   1 
HETATM 3067 O  O   . HOH N 4 .  ? 29.00900 37.13200 43.81300 1.000 44.18000 ? 286 HOH C O   1 
HETATM 3068 O  O   . HOH N 4 .  ? 35.47700 43.08100 55.44500 1.000 34.06000 ? 287 HOH C O   1 
HETATM 3069 O  O   . HOH N 4 .  ? 51.72900 29.00900 35.84600 1.000 38.74000 ? 288 HOH C O   1 
HETATM 3070 O  O   . HOH N 4 .  ? 50.00500 38.09500 61.16400 1.000 48.48000 ? 289 HOH C O   1 
HETATM 3071 O  O   . HOH N 4 .  ? 32.665   47.708   47.965   1.000 39.69000 ? 290 HOH C O   1 
HETATM 3072 O  O   . HOH N 4 .  ? 45.09400 44.17400 51.19200 1.000 34.07000 ? 291 HOH C O   1 
HETATM 3073 O  O   . HOH N 4 .  ? 30.61400 38.56200 60.80500 1.000 48.94000 ? 292 HOH C O   1 
HETATM 3074 O  O   . HOH N 4 .  ? 30.84600 25.98200 47.11800 1.000 44.51000 ? 293 HOH C O   1 
HETATM 3075 O  O   . HOH N 4 .  ? 34.087   29.053   61.543   1.000 23.93000 ? 294 HOH C O   1 
HETATM 3076 O  O   . HOH N 4 .  ? 57.53400 30.45500 45.05200 1.000 46.85000 ? 295 HOH C O   1 
HETATM 3077 O  O   . HOH N 4 .  ? 44.24100 31.47300 32.26400 1.000 41.94000 ? 296 HOH C O   1 
HETATM 3078 O  O   . HOH N 4 .  ? 57.61000 31.07600 49.41500 1.000 38.25000 ? 297 HOH C O   1 
HETATM 3079 O  O   . HOH N 4 .  ? 28.79100 35.57800 45.94000 1.000 33.82000 ? 298 HOH C O   1 
HETATM 3080 O  O   . HOH N 4 .  ? 37.85500 24.46800 58.70300 1.000 38.65000 ? 299 HOH C O   1 
HETATM 3081 O  O   . HOH N 4 .  ? 38.601   22.343   61.679   1.000 37.16000 ? 300 HOH C O   1 
HETATM 3082 O  O   . HOH N 4 .  ? 55.15500 26.02400 40.73500 1.000 32.56000 ? 301 HOH C O   1 
HETATM 3083 O  O   . HOH N 4 .  ? 28.513   36.194   33.785   1.000 46.74000 ? 302 HOH C O   1 
HETATM 3084 O  O   . HOH N 4 .  ? 58.09200 30.83900 54.24300 1.000 47.64000 ? 303 HOH C O   1 
HETATM 3085 O  O   . HOH N 4 .  ? 38.47500 30.10700 61.73900 1.000 32.53000 ? 304 HOH C O   1 
HETATM 3086 O  O   . HOH N 4 .  ? 39.52400 41.08000 37.18500 1.000 23.48000 ? 305 HOH C O   1 
HETATM 3087 O  O   . HOH N 4 .  ? 51.96000 25.25800 37.07000 1.000 40.66000 ? 306 HOH C O   1 
HETATM 3088 O  O   . HOH N 4 .  ? 33.49100 27.12300 57.72700 1.000 36.50000 ? 307 HOH C O   1 
HETATM 3089 O  O   . HOH N 4 .  ? 36.99900 26.16600 60.64200 1.000 38.54000 ? 308 HOH C O   1 
HETATM 3090 O  O   . HOH N 4 .  ? 52.07200 34.36100 61.72100 1.000 52.99000 ? 309 HOH C O   1 
HETATM 3091 O  O   . HOH N 4 .  ? 32.02300 22.98400 50.92000 1.000 51.09000 ? 310 HOH C O   1 
HETATM 3092 O  O   . HOH O 4 .  ? 76.95500 25.40200 40.45300 1.000 56.75000 ? 201 HOH D O   1 
HETATM 3093 O  O   . HOH O 4 .  ? 61.62900 35.18800 43.96700 1.000 35.41000 ? 202 HOH D O   1 
HETATM 3094 O  O   . HOH O 4 .  ? 82.37900 34.70000 20.02200 1.000 46.17000 ? 203 HOH D O   1 
HETATM 3095 O  O   . HOH O 4 .  ? 80.13000 37.44500 20.38400 1.000 44.97000 ? 204 HOH D O   1 
HETATM 3096 O  O   . HOH O 4 .  ? 74.15500 22.31600 31.73700 1.000 40.38000 ? 205 HOH D O   1 
HETATM 3097 O  O   . HOH O 4 .  ? 54.50600 28.38300 36.60100 1.000 33.48000 ? 206 HOH D O   1 
HETATM 3098 O  O   . HOH O 4 .  ? 56.29300 23.88700 37.44100 1.000 43.58000 ? 207 HOH D O   1 
HETATM 3099 O  O   . HOH O 4 .  ? 78.05900 33.40700 18.07900 1.000 30.34000 ? 208 HOH D O   1 
HETATM 3100 O  O   . HOH O 4 .  ? 76.76200 34.06500 40.38300 1.000 38.85000 ? 209 HOH D O   1 
HETATM 3101 O  O   . HOH O 4 .  ? 61.87700 38.87300 17.85300 1.000 25.12000 ? 210 HOH D O   1 
HETATM 3102 O  O   . HOH O 4 .  ? 74.99800 37.90300 38.89300 1.000 38.74000 ? 211 HOH D O   1 
HETATM 3103 O  O   . HOH O 4 .  ? 73.60300 39.58700 36.41900 1.000 32.52000 ? 212 HOH D O   1 
HETATM 3104 O  O   . HOH O 4 .  ? 78.47700 34.89700 33.53100 1.000 31.21000 ? 213 HOH D O   1 
HETATM 3105 O  O   . HOH O 4 .  ? 79.45000 42.77500 30.59000 1.000 33.54000 ? 214 HOH D O   1 
HETATM 3106 O  O   . HOH O 4 .  ? 72.78400 22.47800 35.39500 1.000 34.37000 ? 215 HOH D O   1 
HETATM 3107 O  O   . HOH O 4 .  ? 61.80300 26.99900 25.09700 1.000 36.89000 ? 216 HOH D O   1 
HETATM 3108 O  O   . HOH O 4 .  ? 53.95700 28.77500 29.16000 1.000 33.28000 ? 217 HOH D O   1 
HETATM 3109 O  O   . HOH O 4 .  ? 77.37700 39.85300 35.85800 1.000 29.46000 ? 218 HOH D O   1 
HETATM 3110 O  O   . HOH O 4 .  ? 61.40300 32.36300 42.76000 1.000 32.52000 ? 219 HOH D O   1 
HETATM 3111 O  O   . HOH O 4 .  ? 60.16600 28.75600 30.47200 1.000 24.83000 ? 220 HOH D O   1 
HETATM 3112 O  O   . HOH O 4 .  ? 84.63700 34.38100 23.89100 1.000 40.03000 ? 221 HOH D O   1 
HETATM 3113 O  O   . HOH O 4 .  ? 63.48700 30.62500 43.52300 1.000 32.89000 ? 222 HOH D O   1 
HETATM 3114 O  O   . HOH O 4 .  ? 75.99300 41.28400 17.10800 1.000 29.68000 ? 223 HOH D O   1 
HETATM 3115 O  O   . HOH O 4 .  ? 71.68800 47.95700 30.04400 1.000 40.85000 ? 224 HOH D O   1 
HETATM 3116 O  O   . HOH O 4 .  ? 63.35600 23.77600 40.84200 1.000 31.74000 ? 225 HOH D O   1 
HETATM 3117 O  O   . HOH O 4 .  ? 66.11300 43.55700 21.70600 1.000 46.49000 ? 226 HOH D O   1 
HETATM 3118 O  O   . HOH O 4 .  ? 66.13600 20.88700 39.92800 1.000 34.90000 ? 227 HOH D O   1 
HETATM 3119 O  O   . HOH O 4 .  ? 57.70600 29.61500 21.48700 1.000 32.07000 ? 228 HOH D O   1 
HETATM 3120 O  O   . HOH O 4 .  ? 54.47800 32.51000 30.81700 1.000 20.74000 ? 229 HOH D O   1 
HETATM 3121 O  O   . HOH O 4 .  ? 73.14500 30.15700 20.19100 1.000 32.78000 ? 230 HOH D O   1 
HETATM 3122 O  O   . HOH O 4 .  ? 52.60400 36.54300 25.86100 1.000 23.34000 ? 231 HOH D O   1 
HETATM 3123 O  O   . HOH O 4 .  ? 60.64900 26.35300 31.49600 1.000 29.69000 ? 232 HOH D O   1 
HETATM 3124 O  O   . HOH O 4 .  ? 58.76400 36.60700 41.06800 1.000 24.28000 ? 233 HOH D O   1 
HETATM 3125 O  O   . HOH O 4 .  ? 59.87000 19.37000 34.76700 1.000 34.91000 ? 234 HOH D O   1 
HETATM 3126 O  O   . HOH O 4 .  ? 67.70500 18.75400 33.34800 1.000 31.42000 ? 235 HOH D O   1 
HETATM 3127 O  O   . HOH O 4 .  ? 68.86200 34.21000 41.86300 1.000 31.64000 ? 236 HOH D O   1 
HETATM 3128 O  O   . HOH O 4 .  ? 60.04400 25.55500 40.01700 1.000 29.11000 ? 237 HOH D O   1 
HETATM 3129 O  O   . HOH O 4 .  ? 55.83300 35.02700 23.74200 1.000 24.92000 ? 238 HOH D O   1 
HETATM 3130 O  O   . HOH O 4 .  ? 71.04800 20.16000 24.40900 1.000 49.61000 ? 239 HOH D O   1 
HETATM 3131 O  O   . HOH O 4 .  ? 60.44700 28.66900 23.32100 1.000 35.04000 ? 240 HOH D O   1 
HETATM 3132 O  O   . HOH O 4 .  ? 78.52400 29.46200 29.80900 1.000 27.76000 ? 241 HOH D O   1 
HETATM 3133 O  O   . HOH O 4 .  ? 61.73600 28.95600 41.80300 1.000 25.69000 ? 242 HOH D O   1 
HETATM 3134 O  O   . HOH O 4 .  ? 68.41600 21.34100 27.71600 1.000 34.53000 ? 243 HOH D O   1 
HETATM 3135 O  O   . HOH O 4 .  ? 58.04000 33.09700 18.13900 1.000 28.06000 ? 244 HOH D O   1 
HETATM 3136 O  O   . HOH O 4 .  ? 66.41700 23.60600 21.87800 1.000 35.11000 ? 245 HOH D O   1 
HETATM 3137 O  O   . HOH O 4 .  ? 74.60100 27.09200 41.19200 1.000 34.29000 ? 246 HOH D O   1 
HETATM 3138 O  O   . HOH O 4 .  ? 69.00200 46.89500 33.02000 1.000 38.58000 ? 247 HOH D O   1 
HETATM 3139 O  O   . HOH O 4 .  ? 71.88400 29.37800 40.17300 1.000 25.12000 ? 248 HOH D O   1 
HETATM 3140 O  O   . HOH O 4 .  ? 67.92300 30.60400 17.13200 1.000 30.88000 ? 249 HOH D O   1 
HETATM 3141 O  O   . HOH O 4 .  ? 64.21700 25.61600 24.81200 1.000 28.43000 ? 250 HOH D O   1 
HETATM 3142 O  O   . HOH O 4 .  ? 64.26800 44.21000 37.12100 1.000 20.28000 ? 251 HOH D O   1 
HETATM 3143 O  O   . HOH O 4 .  ? 63.31800 43.32200 27.09200 1.000 19.46000 ? 252 HOH D O   1 
HETATM 3144 O  O   . HOH O 4 .  ? 73.59000 46.85100 28.23500 1.000 33.26000 ? 253 HOH D O   1 
HETATM 3145 O  O   . HOH O 4 .  ? 58.92100 40.15200 20.55900 1.000 29.87000 ? 254 HOH D O   1 
HETATM 3146 O  O   . HOH O 4 .  ? 70.81900 44.58200 22.91300 1.000 30.89000 ? 255 HOH D O   1 
HETATM 3147 O  O   . HOH O 4 .  ? 54.67900 39.71700 39.72300 1.000 24.11000 ? 256 HOH D O   1 
HETATM 3148 O  O   . HOH O 4 .  ? 63.32200 17.66900 35.82800 1.000 31.87000 ? 257 HOH D O   1 
HETATM 3149 O  O   . HOH O 4 .  ? 67.59300 39.61600 41.97500 1.000 27.21000 ? 258 HOH D O   1 
HETATM 3150 O  O   . HOH O 4 .  ? 60.70000 26.32200 28.80200 1.000 31.77000 ? 259 HOH D O   1 
HETATM 3151 O  O   . HOH O 4 .  ? 72.86600 43.27900 17.21100 1.000 38.26000 ? 260 HOH D O   1 
HETATM 3152 O  O   . HOH O 4 .  ? 64.69400 22.67100 26.38000 1.000 30.69000 ? 261 HOH D O   1 
HETATM 3153 O  O   . HOH O 4 .  ? 75.66200 43.44600 19.05400 1.000 39.01000 ? 262 HOH D O   1 
HETATM 3154 O  O   . HOH O 4 .  ? 56.34000 32.96200 21.73100 1.000 28.25000 ? 263 HOH D O   1 
HETATM 3155 O  O   . HOH O 4 .  ? 68.88700 25.86800 19.87500 1.000 34.22000 ? 264 HOH D O   1 
HETATM 3156 O  O   . HOH O 4 .  ? 71.91400 44.00000 20.61600 1.000 41.18000 ? 265 HOH D O   1 
HETATM 3157 O  O   . HOH O 4 .  ? 80.04200 39.20200 31.96500 1.000 35.32000 ? 266 HOH D O   1 
HETATM 3158 O  O   . HOH O 4 .  ? 61.413   33.467   16.556   1.000 34.79000 ? 267 HOH D O   1 
HETATM 3159 O  O   . HOH O 4 .  ? 68.63400 21.06900 31.21400 1.000 26.70000 ? 268 HOH D O   1 
HETATM 3160 O  O   . HOH O 4 .  ? 69.69100 21.18500 40.43400 1.000 38.23000 ? 269 HOH D O   1 
HETATM 3161 O  O   . HOH O 4 .  ? 72.43800 31.99300 18.45600 1.000 32.09000 ? 270 HOH D O   1 
HETATM 3162 O  O   . HOH O 4 .  ? 73.45400 25.28200 35.61200 1.000 39.37000 ? 271 HOH D O   1 
HETATM 3163 O  O   . HOH O 4 .  ? 69.41400 26.62700 42.34300 1.000 27.74000 ? 272 HOH D O   1 
HETATM 3164 O  O   . HOH O 4 .  ? 84.14800 37.92900 30.96500 1.000 29.74000 ? 273 HOH D O   1 
HETATM 3165 O  O   . HOH O 4 .  ? 66.26600 44.66400 30.66100 1.000 21.86000 ? 274 HOH D O   1 
HETATM 3166 O  O   . HOH O 4 .  ? 61.59500 35.08400 41.03300 1.000 21.14000 ? 275 HOH D O   1 
HETATM 3167 O  O   . HOH O 4 .  ? 75.23800 23.74800 27.07700 1.000 28.93000 ? 276 HOH D O   1 
HETATM 3168 O  O   . HOH O 4 .  ? 81.37900 31.56400 26.50700 1.000 43.88000 ? 277 HOH D O   1 
HETATM 3169 O  O   . HOH O 4 .  ? 67.09100 48.34000 28.59600 1.000 51.95000 ? 278 HOH D O   1 
HETATM 3170 O  O   . HOH O 4 .  ? 54.44100 29.40500 32.93100 1.000 37.84000 ? 279 HOH D O   1 
HETATM 3171 O  O   . HOH O 4 .  ? 71.25900 40.95500 36.94000 1.000 22.88000 ? 280 HOH D O   1 
HETATM 3172 O  O   . HOH O 4 .  ? 87.35600 35.29400 24.73600 1.000 40.20000 ? 281 HOH D O   1 
HETATM 3173 O  O   . HOH O 4 .  ? 64.18400 44.16900 24.60000 1.000 27.39000 ? 282 HOH D O   1 
HETATM 3174 O  O   . HOH O 4 .  ? 71.51400 45.11100 34.82200 1.000 35.35000 ? 283 HOH D O   1 
HETATM 3175 O  O   . HOH O 4 .  ? 74.03700 41.80600 33.48200 1.000 30.67000 ? 284 HOH D O   1 
HETATM 3176 O  O   . HOH O 4 .  ? 65.80700 17.39300 36.10900 1.000 42.43000 ? 285 HOH D O   1 
HETATM 3177 O  O   . HOH O 4 .  ? 53.72900 29.83000 24.11400 1.000 35.96000 ? 286 HOH D O   1 
HETATM 3178 O  O   . HOH O 4 .  ? 78.83600 44.78900 25.26800 1.000 42.63000 ? 287 HOH D O   1 
HETATM 3179 O  O   . HOH O 4 .  ? 56.93600 38.32800 21.26400 1.000 8.50000  ? 288 HOH D O   1 
HETATM 3180 O  O   . HOH O 4 .  ? 59.95500 27.07400 21.09900 1.000 38.58000 ? 289 HOH D O   1 
HETATM 3181 O  O   . HOH O 4 .  ? 58.42200 24.97600 31.26000 1.000 34.07000 ? 290 HOH D O   1 
HETATM 3182 O  O   . HOH O 4 .  ? 58.23700 19.22000 37.10400 1.000 49.73000 ? 291 HOH D O   1 
HETATM 3183 O  O   . HOH O 4 .  ? 76.84400 27.81500 42.99700 1.000 48.08000 ? 292 HOH D O   1 
HETATM 3184 O  O   . HOH O 4 .  ? 83.91200 31.15200 20.87800 1.000 54.98000 ? 293 HOH D O   1 
HETATM 3185 O  O   . HOH O 4 .  ? 55.236   23.649   25.322   1.000 46.73000 ? 294 HOH D O   1 
HETATM 3186 O  O   . HOH O 4 .  ? 54.54300 32.71500 33.66300 1.000 41.24000 ? 295 HOH D O   1 
HETATM 3187 O  O   . HOH O 4 .  ? 70.02300 45.07400 19.22400 1.000 49.51000 ? 296 HOH D O   1 
HETATM 3188 O  O   . HOH O 4 .  ? 72.80600 38.76600 40.42200 1.000 43.48000 ? 297 HOH D O   1 
HETATM 3189 O  O   . HOH O 4 .  ? 73.59400 45.00300 24.41900 1.000 36.66000 ? 298 HOH D O   1 
HETATM 3190 O  O   . HOH O 4 .  ? 79.68800 27.60600 42.63600 1.000 41.98000 ? 299 HOH D O   1 
HETATM 3191 O  O   . HOH O 4 .  ? 77.33900 45.97500 23.84300 1.000 54.10000 ? 300 HOH D O   1 
HETATM 3192 O  O   . HOH O 4 .  ? 67.72500 27.76400 17.94300 1.000 38.41000 ? 301 HOH D O   1 
HETATM 3193 O  O   . HOH O 4 .  ? 89.05000 33.70100 26.00300 1.000 39.11000 ? 302 HOH D O   1 
HETATM 3194 O  O   . HOH O 4 .  ? 57.52500 28.96400 42.97100 1.000 38.60000 ? 303 HOH D O   1 
HETATM 3195 O  O   . HOH O 4 .  ? 63.81400 45.18900 28.71600 1.000 30.89000 ? 304 HOH D O   1 
HETATM 3196 O  O   . HOH O 4 .  ? 78.57000 43.71600 19.45500 1.000 42.94000 ? 305 HOH D O   1 
HETATM 3197 O  O   . HOH O 4 .  ? 73.91500 47.09300 25.54800 1.000 44.56000 ? 306 HOH D O   1 
HETATM 3198 O  O   . HOH O 4 .  ? 57.42600 25.07900 41.15600 1.000 40.32000 ? 307 HOH D O   1 
HETATM 3199 O  O   . HOH O 4 .  ? 80.39100 36.85700 33.28800 1.000 35.20000 ? 308 HOH D O   1 
HETATM 3200 O  O   . HOH O 4 .  ? 71.19600 29.00700 43.12500 1.000 39.70000 ? 309 HOH D O   1 
HETATM 3201 O  O   . HOH O 4 .  ? 81.14800 29.73600 30.19100 1.000 45.11000 ? 310 HOH D O   1 
HETATM 3202 O  O   . HOH O 4 .  ? 71.82800 42.62200 34.57100 1.000 29.95000 ? 311 HOH D O   1 
HETATM 3203 O  O   . HOH O 4 .  ? 54.75300 26.04300 38.10600 1.000 37.86000 ? 312 HOH D O   1 
HETATM 3204 O  O   . HOH O 4 .  ? 67.11300 26.88900 43.69100 1.000 44.51000 ? 313 HOH D O   1 
HETATM 3205 O  O   . HOH O 4 .  ? 71.39600 22.77600 41.59800 1.000 46.70000 ? 314 HOH D O   1 
HETATM 3206 O  O   . HOH O 4 .  ? 75.25100 45.23000 22.05600 1.000 52.70000 ? 315 HOH D O   1 
HETATM 3207 O  O   . HOH O 4 .  ? 56.83700 23.01200 32.40500 1.000 39.94000 ? 316 HOH D O   1 
HETATM 3208 O  O   . HOH O 4 .  ? 64.32900 46.90600 25.06300 1.000 44.14000 ? 317 HOH D O   1 
HETATM 3209 O  O   . HOH O 4 .  ? 55.21400 23.82600 34.80300 1.000 41.28000 ? 318 HOH D O   1 
HETATM 3210 O  O   . HOH O 4 .  ? 64.29100 47.01400 34.79600 1.000 42.99000 ? 319 HOH D O   1 
HETATM 3211 O  O   . HOH O 4 .  ? 51.70100 31.40900 30.01900 1.000 36.79000 ? 320 HOH D O   1 
HETATM 3212 O  O   . HOH O 4 .  ? 75.21700 28.83600 20.15900 1.000 42.73000 ? 321 HOH D O   1 
HETATM 3213 O  O   . HOH O 4 .  ? 62.47600 17.76900 38.59200 1.000 44.44000 ? 322 HOH D O   1 
HETATM 3214 O  O   . HOH O 4 .  ? 79.88300 46.38600 24.02200 1.000 49.87000 ? 323 HOH D O   1 
HETATM 3215 O  O   . HOH O 4 .  ? 69.89500 47.15900 22.89800 1.000 40.80000 ? 324 HOH D O   1 
HETATM 3216 O  O   . HOH O 4 .  ? 74.76400 43.63000 35.16900 1.000 53.46000 ? 325 HOH D O   1 
HETATM 3217 O  O   . HOH O 4 .  ? 57.82000 20.63000 33.05700 1.000 42.98000 ? 326 HOH D O   1 
HETATM 3218 O  O   . HOH O 4 .  ? 56.12400 18.73300 32.68200 1.000 48.75000 ? 327 HOH D O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N   . GLY A 1  ? 0.48440 0.77190 0.55560 0.03310  -0.02210 0.03210  -1  GLY A N   
2    C  CA  . GLY A 1  ? 0.51100 0.79060 0.57130 0.04190  -0.02360 0.03000  -1  GLY A CA  
3    C  C   . GLY A 1  ? 0.46370 0.74770 0.52680 0.03320  -0.02870 0.02650  -1  GLY A C   
4    O  O   . GLY A 1  ? 0.50070 0.80810 0.57470 0.02540  -0.03190 0.02790  -1  GLY A O   
5    N  N   . SER A 2  ? 0.51120 0.77310 0.56400 0.03410  -0.02950 0.02210  0   SER A N   
6    C  CA  . SER A 2  ? 0.41270 0.67670 0.46600 0.02680  -0.03420 0.01830  0   SER A CA  
7    C  C   . SER A 2  ? 0.31250 0.56580 0.37170 0.01140  -0.03590 0.01370  0   SER A C   
8    O  O   . SER A 2  ? 0.31980 0.55590 0.37880 0.00800  -0.03310 0.01260  0   SER A O   
9    C  CB  . SER A 2  ? 0.42250 0.66870 0.46190 0.03480  -0.03420 0.01610  0   SER A CB  
10   O  OG  . SER A 2  ? 0.32430 0.54230 0.35760 0.03080  -0.03230 0.01200  0   SER A OG  
11   N  N   . ALA A 3  ? 0.33240 0.59570 0.39620 0.00240  -0.04080 0.01080  1   ALA A N   
12   C  CA  . ALA A 3  ? 0.31100 0.56120 0.37760 -0.01130 -0.04310 0.00540  1   ALA A CA  
13   C  C   . ALA A 3  ? 0.31080 0.53130 0.36680 -0.00950 -0.04090 0.00090  1   ALA A C   
14   O  O   . ALA A 3  ? 0.25370 0.45790 0.31100 -0.01640 -0.03970 -0.00160 1   ALA A O   
15   C  CB  . ALA A 3  ? 0.30130 0.56590 0.37140 -0.01930 -0.04920 0.00230  1   ALA A CB  
16   N  N   . ASP A 4  ? 0.33460 0.54830 0.38000 -0.00010 -0.04040 0.00050  2   ASP A N   
17   C  CA  . ASP A 4  ? 0.26660 0.45440 0.30210 0.00100  -0.03850 -0.00330 2   ASP A CA  
18   C  C   . ASP A 4  ? 0.27600 0.44690 0.31030 0.00280  -0.03390 -0.00220 2   ASP A C   
19   O  O   . ASP A 4  ? 0.23550 0.38870 0.26840 -0.00280 -0.03300 -0.00590 2   ASP A O   
20   C  CB  . ASP A 4  ? 0.30930 0.49420 0.33360 0.01140  -0.03830 -0.00240 2   ASP A CB  
21   C  CG  . ASP A 4  ? 0.45060 0.64700 0.47370 0.00880  -0.04300 -0.00490 2   ASP A CG  
22   O  OD1 . ASP A 4  ? 0.45710 0.66360 0.48810 -0.00140 -0.04680 -0.00790 2   ASP A OD1 
23   O  OD2 . ASP A 4  ? 0.55750 0.75220 0.57120 0.01680  -0.04310 -0.00390 2   ASP A OD2 
24   N  N   . LEU A 5  ? 0.22000 0.39640 0.25420 0.01110  -0.03110 0.00270  3   LEU A N   
25   C  CA  . LEU A 5  ? 0.22340 0.38410 0.25540 0.01330  -0.02700 0.00350  3   LEU A CA  
26   C  C   . LEU A 5  ? 0.24540 0.40580 0.28700 0.00330  -0.02670 0.00280  3   LEU A C   
27   O  O   . LEU A 5  ? 0.23210 0.37460 0.27160 0.00080  -0.02470 0.00090  3   LEU A O   
28   C  CB  . LEU A 5  ? 0.25560 0.42280 0.28450 0.02500  -0.02420 0.00860  3   LEU A CB  
29   C  CG  . LEU A 5  ? 0.29930 0.45820 0.31560 0.03660  -0.02330 0.00960  3   LEU A CG  
30   C  CD1 . LEU A 5  ? 0.33120 0.49730 0.34450 0.04840  -0.02080 0.01430  3   LEU A CD1 
31   C  CD2 . LEU A 5  ? 0.29850 0.43050 0.30550 0.03600  -0.02170 0.00650  3   LEU A CD2 
32   N  N   . ALA A 6  ? 0.25560 0.43600 0.30750 -0.00270 -0.02890 0.00470  4   ALA A N   
33   C  CA  . ALA A 6  ? 0.25480 0.43460 0.31550 -0.01310 -0.02890 0.00450  4   ALA A CA  
34   C  C   . ALA A 6  ? 0.19480 0.35650 0.25380 -0.02190 -0.03060 -0.00140 4   ALA A C   
35   O  O   . ALA A 6  ? 0.21630 0.36300 0.27560 -0.02530 -0.02870 -0.00250 4   ALA A O   
36   C  CB  . ALA A 6  ? 0.23150 0.43670 0.30340 -0.01930 -0.03160 0.00760  4   ALA A CB  
37   N  N   . HIS A 7  ? 0.19690 0.36060 0.25390 -0.02520 -0.03440 -0.00530 5   HIS A N   
38   C  CA  . HIS A 7  ? 0.21710 0.36380 0.27110 -0.03210 -0.03590 -0.01130 5   HIS A CA  
39   C  C   . HIS A 7  ? 0.18960 0.31520 0.23480 -0.02630 -0.03240 -0.01300 5   HIS A C   
40   O  O   . HIS A 7  ? 0.17430 0.28440 0.21880 -0.03080 -0.03160 -0.01610 5   HIS A O   
41   C  CB  . HIS A 7  ? 0.22760 0.38080 0.27920 -0.03500 -0.04040 -0.01520 5   HIS A CB  
42   C  CG  . HIS A 7  ? 0.28220 0.41840 0.32960 -0.04100 -0.04200 -0.02180 5   HIS A CG  
43   N  ND1 . HIS A 7  ? 0.34250 0.46900 0.39410 -0.05010 -0.04270 -0.02430 5   HIS A ND1 
44   C  CD2 . HIS A 7  ? 0.24910 0.37580 0.28780 -0.03860 -0.04270 -0.02620 5   HIS A CD2 
45   C  CE1 . HIS A 7  ? 0.31090 0.42280 0.35640 -0.05240 -0.04380 -0.03030 5   HIS A CE1 
46   N  NE2 . HIS A 7  ? 0.30110 0.41370 0.33900 -0.04570 -0.04380 -0.03150 5   HIS A NE2 
47   N  N   . GLY A 8  ? 0.17330 0.29840 0.21150 -0.01630 -0.03050 -0.01080 6   GLY A N   
48   C  CA  . GLY A 8  ? 0.18760 0.29350 0.21770 -0.01160 -0.02730 -0.01180 6   GLY A CA  
49   C  C   . GLY A 8  ? 0.17810 0.27440 0.21100 -0.01290 -0.02430 -0.01070 6   GLY A C   
50   O  O   . GLY A 8  ? 0.14830 0.22870 0.17800 -0.01430 -0.02280 -0.01320 6   GLY A O   
51   N  N   . GLY A 9  ? 0.17090 0.27800 0.20990 -0.01220 -0.02340 -0.00650 7   GLY A N   
52   C  CA  . GLY A 9  ? 0.13950 0.23910 0.18130 -0.01350 -0.02070 -0.00510 7   GLY A CA  
53   C  C   . GLY A 9  ? 0.17770 0.27000 0.22460 -0.02320 -0.02180 -0.00790 7   GLY A C   
54   O  O   . GLY A 9  ? 0.20050 0.27970 0.24640 -0.02390 -0.01970 -0.00850 7   GLY A O   
55   N  N   . GLN A 10 ? 0.19390 0.29400 0.24560 -0.03070 -0.02520 -0.00970 8   GLN A N   
56   C  CA  . GLN A 10 ? 0.22140 0.31160 0.27620 -0.03960 -0.02660 -0.01300 8   GLN A CA  
57   C  C   . GLN A 10 ? 0.21700 0.29000 0.26460 -0.03890 -0.02640 -0.01830 8   GLN A C   
58   O  O   . GLN A 10 ? 0.22070 0.28030 0.26810 -0.04140 -0.02530 -0.02000 8   GLN A O   
59   C  CB  . GLN A 10 ? 0.24990 0.35160 0.31070 -0.04830 -0.03080 -0.01400 8   GLN A CB  
60   C  CG  . GLN A 10 ? 0.31870 0.43870 0.38840 -0.05090 -0.03080 -0.00820 8   GLN A CG  
61   C  CD  . GLN A 10 ? 0.42910 0.54330 0.50280 -0.05290 -0.02780 -0.00460 8   GLN A CD  
62   O  OE1 . GLN A 10 ? 0.48650 0.58390 0.55880 -0.05690 -0.02740 -0.00710 8   GLN A OE1 
63   N  NE2 . GLN A 10 ? 0.52580 0.65420 0.60390 -0.04940 -0.02550 0.00140  8   GLN A NE2 
64   N  N   . VAL A 11 ? 0.19280 0.26680 0.23430 -0.03520 -0.02750 -0.02070 9   VAL A N   
65   C  CA  . VAL A 11 ? 0.17190 0.23150 0.20630 -0.03360 -0.02680 -0.02500 9   VAL A CA  
66   C  C   . VAL A 11 ? 0.16700 0.21570 0.19860 -0.02890 -0.02290 -0.02330 9   VAL A C   
67   O  O   . VAL A 11 ? 0.17220 0.20850 0.20180 -0.03000 -0.02180 -0.02600 9   VAL A O   
68   C  CB  . VAL A 11 ? 0.14970 0.21380 0.17770 -0.02970 -0.02810 -0.02650 9   VAL A CB  
69   C  CG1 . VAL A 11 ? 0.18610 0.23700 0.20670 -0.02770 -0.02670 -0.03010 9   VAL A CG1 
70   C  CG2 . VAL A 11 ? 0.19860 0.27390 0.22910 -0.03500 -0.03250 -0.02890 9   VAL A CG2 
71   N  N   . PHE A 12 ? 0.16670 0.22010 0.19780 -0.02330 -0.02100 -0.01890 10  PHE A N   
72   C  CA  . PHE A 12 ? 0.15690 0.20000 0.18460 -0.01900 -0.01780 -0.01750 10  PHE A CA  
73   C  C   . PHE A 12 ? 0.15170 0.18860 0.18420 -0.02290 -0.01670 -0.01730 10  PHE A C   
74   O  O   . PHE A 12 ? 0.18050 0.20600 0.21050 -0.02250 -0.01520 -0.01890 10  PHE A O   
75   C  CB  . PHE A 12 ? 0.12390 0.17270 0.14920 -0.01200 -0.01630 -0.01310 10  PHE A CB  
76   C  CG  . PHE A 12 ? 0.15860 0.19550 0.17840 -0.00760 -0.01370 -0.01240 10  PHE A CG  
77   C  CD1 . PHE A 12 ? 0.15610 0.18450 0.16780 -0.00420 -0.01310 -0.01350 10  PHE A CD1 
78   C  CD2 . PHE A 12 ? 0.18450 0.21880 0.20690 -0.00740 -0.01200 -0.01060 10  PHE A CD2 
79   C  CE1 . PHE A 12 ? 0.13840 0.15570 0.14500 -0.00150 -0.01120 -0.01300 10  PHE A CE1 
80   C  CE2 . PHE A 12 ? 0.16540 0.18910 0.18240 -0.00400 -0.01020 -0.01040 10  PHE A CE2 
81   C  CZ  . PHE A 12 ? 0.14180 0.15670 0.15100 -0.00140 -0.01000 -0.01170 10  PHE A CZ  
82   N  N   . SER A 13 ? 0.18800 0.23310 0.22750 -0.02640 -0.01730 -0.01480 11  SER A N   
83   C  CA  A SER A 13 ? 0.22060 0.25960 0.26410 -0.02980 -0.01610 -0.01380 11  SER A CA  
84   C  CA  B SER A 13 ? 0.22730 0.26610 0.27070 -0.02960 -0.01610 -0.01380 11  SER A CA  
85   C  C   . SER A 13 ? 0.24030 0.26740 0.28320 -0.03440 -0.01710 -0.01820 11  SER A C   
86   O  O   . SER A 13 ? 0.24550 0.26250 0.28760 -0.03390 -0.01550 -0.01860 11  SER A O   
87   C  CB  A SER A 13 ? 0.23530 0.28600 0.28650 -0.03400 -0.01680 -0.00990 11  SER A CB  
88   C  CB  B SER A 13 ? 0.23600 0.28640 0.28690 -0.03340 -0.01650 -0.00970 11  SER A CB  
89   O  OG  A SER A 13 ? 0.21740 0.28070 0.26910 -0.02870 -0.01560 -0.00570 11  SER A OG  
90   O  OG  B SER A 13 ? 0.23630 0.29520 0.29090 -0.03920 -0.01970 -0.01090 11  SER A OG  
91   N  N   . ALA A 14 ? 0.22100 0.24950 0.26360 -0.03840 -0.01990 -0.02180 12  ALA A N   
92   C  CA  . ALA A 14 ? 0.24310 0.26020 0.28440 -0.04240 -0.02110 -0.02650 12  ALA A CA  
93   C  C   . ALA A 14 ? 0.24420 0.25210 0.27900 -0.03810 -0.01970 -0.03000 12  ALA A C   
94   O  O   . ALA A 14 ? 0.25410 0.25150 0.28760 -0.03920 -0.01950 -0.03300 12  ALA A O   
95   C  CB  . ALA A 14 ? 0.26270 0.28410 0.30520 -0.04840 -0.02490 -0.02960 12  ALA A CB  
96   N  N   . ASN A 15 ? 0.17870 0.19020 0.20930 -0.03300 -0.01860 -0.02930 13  ASN A N   
97   C  CA  . ASN A 15 ? 0.16790 0.17280 0.19250 -0.03000 -0.01750 -0.03220 13  ASN A CA  
98   C  C   . ASN A 15 ? 0.16640 0.16870 0.18800 -0.02510 -0.01470 -0.02960 13  ASN A C   
99   O  O   . ASN A 15 ? 0.18410 0.18050 0.20210 -0.02360 -0.01340 -0.03140 13  ASN A O   
100  C  CB  . ASN A 15 ? 0.19290 0.20300 0.21320 -0.02950 -0.01930 -0.03460 13  ASN A CB  
101  C  CG  . ASN A 15 ? 0.21670 0.22760 0.23810 -0.03460 -0.02250 -0.03860 13  ASN A CG  
102  O  OD1 . ASN A 15 ? 0.22070 0.22330 0.23970 -0.03580 -0.02270 -0.04290 13  ASN A OD1 
103  N  ND2 . ASN A 15 ? 0.22040 0.24140 0.24550 -0.03760 -0.02500 -0.03720 13  ASN A ND2 
104  N  N   . CYS A 16 ? 0.17480 0.18140 0.19720 -0.02260 -0.01390 -0.02550 14  CYS A N   
105  C  CA  . CYS A 16 ? 0.16490 0.16800 0.18270 -0.01820 -0.01200 -0.02350 14  CYS A CA  
106  C  C   . CYS A 16 ? 0.15960 0.16030 0.17960 -0.01690 -0.01050 -0.02070 14  CYS A C   
107  O  O   . CYS A 16 ? 0.17460 0.16940 0.19120 -0.01480 -0.00910 -0.02030 14  CYS A O   
108  C  CB  . CYS A 16 ? 0.13830 0.14700 0.15200 -0.01440 -0.01240 -0.02130 14  CYS A CB  
109  S  SG  . CYS A 16 ? 0.14490 0.16050 0.15650 -0.01550 -0.01480 -0.02370 14  CYS A SG  
110  N  N   . ALA A 17 ? 0.16890 0.17450 0.19440 -0.01860 -0.01090 -0.01880 15  ALA A N   
111  C  CA  . ALA A 17 ? 0.17680 0.18160 0.20370 -0.01670 -0.00940 -0.01580 15  ALA A CA  
112  C  C   . ALA A 17 ? 0.18350 0.17980 0.21080 -0.01760 -0.00830 -0.01690 15  ALA A C   
113  O  O   . ALA A 17 ? 0.18490 0.17930 0.21140 -0.01530 -0.00720 -0.01480 15  ALA A O   
114  C  CB  . ALA A 17 ? 0.20060 0.21400 0.23360 -0.01890 -0.00980 -0.01290 15  ALA A CB  
115  N  N   . ALA A 18 ? 0.18370 0.17520 0.21160 -0.02020 -0.00880 -0.02010 16  ALA A N   
116  C  CA  . ALA A 18 ? 0.19120 0.17610 0.21940 -0.02000 -0.00780 -0.02100 16  ALA A CA  
117  C  C   . ALA A 18 ? 0.15130 0.13370 0.17510 -0.01710 -0.00670 -0.02060 16  ALA A C   
118  O  O   . ALA A 18 ? 0.19730 0.17680 0.22170 -0.01620 -0.00590 -0.02000 16  ALA A O   
119  C  CB  . ALA A 18 ? 0.21870 0.19940 0.24710 -0.02200 -0.00830 -0.02490 16  ALA A CB  
120  N  N   . CYS A 19 ? 0.15410 0.13740 0.17330 -0.01580 -0.00680 -0.02090 17  CYS A N   
121  C  CA  . CYS A 19 ? 0.13240 0.11190 0.14660 -0.01400 -0.00610 -0.02040 17  CYS A CA  
122  C  C   . CYS A 19 ? 0.14220 0.12170 0.15160 -0.01090 -0.00630 -0.01810 17  CYS A C   
123  O  O   . CYS A 19 ? 0.15820 0.13270 0.16310 -0.00960 -0.00600 -0.01750 17  CYS A O   
124  C  CB  . CYS A 19 ? 0.12580 0.10370 0.13700 -0.01510 -0.00590 -0.02250 17  CYS A CB  
125  S  SG  . CYS A 19 ? 0.17430 0.15230 0.18950 -0.01710 -0.00550 -0.02560 17  CYS A SG  
126  N  N   . HIS A 20 ? 0.14310 0.12810 0.15320 -0.00960 -0.00680 -0.01690 18  HIS A N   
127  C  CA  . HIS A 20 ? 0.13070 0.11610 0.13530 -0.00520 -0.00690 -0.01490 18  HIS A CA  
128  C  C   . HIS A 20 ? 0.15660 0.14910 0.16410 -0.00270 -0.00670 -0.01240 18  HIS A C   
129  O  O   . HIS A 20 ? 0.16590 0.16240 0.17030 0.00140  -0.00680 -0.01070 18  HIS A O   
130  C  CB  . HIS A 20 ? 0.12450 0.11200 0.12570 -0.00440 -0.00760 -0.01530 18  HIS A CB  
131  C  CG  . HIS A 20 ? 0.12710 0.10840 0.12400 -0.00620 -0.00740 -0.01700 18  HIS A CG  
132  N  ND1 . HIS A 20 ? 0.15600 0.12870 0.14660 -0.00560 -0.00680 -0.01640 18  HIS A ND1 
133  C  CD2 . HIS A 20 ? 0.14890 0.13220 0.14640 -0.00860 -0.00770 -0.01890 18  HIS A CD2 
134  C  CE1 . HIS A 20 ? 0.15930 0.12990 0.14760 -0.00790 -0.00650 -0.01740 18  HIS A CE1 
135  N  NE2 . HIS A 20 ? 0.13060 0.10770 0.12280 -0.00930 -0.00690 -0.01900 18  HIS A NE2 
136  N  N   . LEU A 21 ? 0.14450 0.13920 0.15760 -0.00460 -0.00620 -0.01160 19  LEU A N   
137  C  CA  . LEU A 21 ? 0.14610 0.14920 0.16240 -0.00260 -0.00570 -0.00840 19  LEU A CA  
138  C  C   . LEU A 21 ? 0.13760 0.14000 0.14690 0.00410  -0.00500 -0.00670 19  LEU A C   
139  O  O   . LEU A 21 ? 0.14400 0.13760 0.14740 0.00620  -0.00470 -0.00750 19  LEU A O   
140  C  CB  . LEU A 21 ? 0.13980 0.14280 0.16120 -0.00500 -0.00500 -0.00730 19  LEU A CB  
141  C  CG  . LEU A 21 ? 0.14840 0.16170 0.17420 -0.00400 -0.00420 -0.00340 19  LEU A CG  
142  C  CD1 . LEU A 21 ? 0.19130 0.21330 0.22350 -0.00840 -0.00530 -0.00280 19  LEU A CD1 
143  C  CD2 . LEU A 21 ? 0.20410 0.21530 0.23260 -0.00520 -0.00320 -0.00160 19  LEU A CD2 
144  N  N   . GLY A 22 ? 0.14910 0.16090 0.15860 0.00760  -0.00500 -0.00460 20  GLY A N   
145  C  CA  . GLY A 22 ? 0.17440 0.18610 0.17670 0.01530  -0.00420 -0.00290 20  GLY A CA  
146  C  C   . GLY A 22 ? 0.17790 0.17730 0.16980 0.01860  -0.00470 -0.00470 20  GLY A C   
147  O  O   . GLY A 22 ? 0.21730 0.21020 0.20090 0.02450  -0.00420 -0.00430 20  GLY A O   
148  N  N   . GLY A 23 ? 0.16750 0.16290 0.15910 0.01500  -0.00570 -0.00660 21  GLY A N   
149  C  CA  . GLY A 23 ? 0.16980 0.15360 0.15180 0.01700  -0.00610 -0.00770 21  GLY A CA  
150  C  C   . GLY A 23 ? 0.17530 0.14680 0.15410 0.01340  -0.00620 -0.00970 21  GLY A C   
151  O  O   . GLY A 23 ? 0.18690 0.14780 0.15750 0.01400  -0.00660 -0.01020 21  GLY A O   
152  N  N   . ARG A 24 ? 0.14130 0.11420 0.12620 0.00950  -0.00590 -0.01050 22  ARG A N   
153  C  CA  . ARG A 24 ? 0.14250 0.10660 0.12560 0.00590  -0.00620 -0.01220 22  ARG A CA  
154  C  C   . ARG A 24 ? 0.17470 0.13640 0.15860 0.00110  -0.00650 -0.01380 22  ARG A C   
155  O  O   . ARG A 24 ? 0.17680 0.14330 0.16280 0.00050  -0.00660 -0.01380 22  ARG A O   
156  C  CB  . ARG A 24 ? 0.16780 0.13620 0.15820 0.00340  -0.00580 -0.01230 22  ARG A CB  
157  C  CG  . ARG A 24 ? 0.17320 0.14380 0.16230 0.00770  -0.00530 -0.01070 22  ARG A CG  
158  C  CD  . ARG A 24 ? 0.19420 0.17020 0.19140 0.00480  -0.00480 -0.01000 22  ARG A CD  
159  N  NE  . ARG A 24 ? 0.20050 0.17900 0.19650 0.00860  -0.00400 -0.00810 22  ARG A NE  
160  C  CZ  . ARG A 24 ? 0.19490 0.18280 0.19430 0.01100  -0.00290 -0.00520 22  ARG A CZ  
161  N  NH1 . ARG A 24 ? 0.17140 0.16690 0.17540 0.01010  -0.00270 -0.00410 22  ARG A NH1 
162  N  NH2 . ARG A 24 ? 0.17000 0.16070 0.16820 0.01440  -0.00200 -0.00330 22  ARG A NH2 
163  N  N   . ASN A 25 ? 0.16930 0.12470 0.15180 -0.00240 -0.00670 -0.01500 23  ASN A N   
164  C  CA  . ASN A 25 ? 0.14050 0.09750 0.12690 -0.00730 -0.00650 -0.01640 23  ASN A CA  
165  C  C   . ASN A 25 ? 0.16530 0.12200 0.15530 -0.01000 -0.00660 -0.01720 23  ASN A C   
166  O  O   . ASN A 25 ? 0.18520 0.13570 0.17050 -0.01140 -0.00720 -0.01740 23  ASN A O   
167  C  CB  . ASN A 25 ? 0.17030 0.12120 0.15020 -0.00880 -0.00660 -0.01610 23  ASN A CB  
168  C  CG  . ASN A 25 ? 0.18710 0.14210 0.17130 -0.01310 -0.00590 -0.01730 23  ASN A CG  
169  O  OD1 . ASN A 25 ? 0.19040 0.15030 0.18130 -0.01500 -0.00550 -0.01860 23  ASN A OD1 
170  N  ND2 . ASN A 25 ? 0.16440 0.11770 0.14430 -0.01400 -0.00550 -0.01670 23  ASN A ND2 
171  N  N   . VAL A 26 ? 0.15030 0.11330 0.14790 -0.01060 -0.00610 -0.01770 24  VAL A N   
172  C  CA  . VAL A 26 ? 0.16650 0.13010 0.16750 -0.01200 -0.00620 -0.01800 24  VAL A CA  
173  C  C   . VAL A 26 ? 0.18920 0.15320 0.19130 -0.01550 -0.00610 -0.01930 24  VAL A C   
174  O  O   . VAL A 26 ? 0.18830 0.15280 0.19170 -0.01680 -0.00650 -0.01950 24  VAL A O   
175  C  CB  . VAL A 26 ? 0.14580 0.11460 0.15380 -0.01130 -0.00570 -0.01760 24  VAL A CB  
176  C  CG1 . VAL A 26 ? 0.17640 0.14710 0.18400 -0.00820 -0.00560 -0.01560 24  VAL A CG1 
177  C  CG2 . VAL A 26 ? 0.19480 0.16670 0.20760 -0.01320 -0.00520 -0.01910 24  VAL A CG2 
178  N  N   . VAL A 27 ? 0.16490 0.12990 0.16670 -0.01700 -0.00550 -0.02000 25  VAL A N   
179  C  CA  . VAL A 27 ? 0.15230 0.11990 0.15560 -0.02010 -0.00490 -0.02080 25  VAL A CA  
180  C  C   . VAL A 27 ? 0.19280 0.15570 0.19020 -0.02300 -0.00540 -0.01980 25  VAL A C   
181  O  O   . VAL A 27 ? 0.19670 0.16130 0.19520 -0.02600 -0.00570 -0.01980 25  VAL A O   
182  C  CB  . VAL A 27 ? 0.14400 0.11540 0.14920 -0.02020 -0.00380 -0.02210 25  VAL A CB  
183  C  CG1 . VAL A 27 ? 0.18880 0.16400 0.19460 -0.02270 -0.00280 -0.02250 25  VAL A CG1 
184  C  CG2 . VAL A 27 ? 0.17510 0.14950 0.18590 -0.01840 -0.00370 -0.02340 25  VAL A CG2 
185  N  N   . ASN A 28 ? 0.17820 0.13510 0.16890 -0.02230 -0.00560 -0.01890 26  ASN A N   
186  C  CA  . ASN A 28 ? 0.19010 0.13930 0.17340 -0.02510 -0.00630 -0.01760 26  ASN A CA  
187  C  C   . ASN A 28 ? 0.20380 0.14390 0.17990 -0.02160 -0.00750 -0.01700 26  ASN A C   
188  O  O   . ASN A 28 ? 0.19680 0.13350 0.16830 -0.01830 -0.00730 -0.01610 26  ASN A O   
189  C  CB  . ASN A 28 ? 0.17780 0.12700 0.15810 -0.02690 -0.00520 -0.01650 26  ASN A CB  
190  C  CG  . ASN A 28 ? 0.30740 0.24770 0.27990 -0.03090 -0.00580 -0.01460 26  ASN A CG  
191  O  OD1 . ASN A 28 ? 0.32190 0.25360 0.28940 -0.03150 -0.00740 -0.01450 26  ASN A OD1 
192  N  ND2 . ASN A 28 ? 0.36220 0.30400 0.33300 -0.03380 -0.00460 -0.01300 26  ASN A ND2 
193  N  N   . PRO A 29 ? 0.19380 0.13010 0.16820 -0.02160 -0.00890 -0.01750 27  PRO A N   
194  C  CA  . PRO A 29 ? 0.21270 0.14100 0.17980 -0.01690 -0.00980 -0.01740 27  PRO A CA  
195  C  C   . PRO A 29 ? 0.24360 0.15940 0.19970 -0.01630 -0.01050 -0.01640 27  PRO A C   
196  O  O   . PRO A 29 ? 0.25130 0.16050 0.20050 -0.01070 -0.01100 -0.01620 27  PRO A O   
197  C  CB  . PRO A 29 ? 0.22080 0.14780 0.18780 -0.01800 -0.01130 -0.01850 27  PRO A CB  
198  C  CG  . PRO A 29 ? 0.26550 0.20380 0.24290 -0.02070 -0.01060 -0.01900 27  PRO A CG  
199  C  CD  . PRO A 29 ? 0.24290 0.18480 0.22310 -0.02440 -0.00940 -0.01850 27  PRO A CD  
200  N  N   . ALA A 30 ? 0.25650 0.16850 0.20990 -0.02130 -0.01040 -0.01540 28  ALA A N   
201  C  CA  . ALA A 30 ? 0.24590 0.14430 0.18780 -0.02070 -0.01100 -0.01390 28  ALA A CA  
202  C  C   . ALA A 30 ? 0.26240 0.16280 0.20290 -0.01580 -0.00970 -0.01240 28  ALA A C   
203  O  O   . ALA A 30 ? 0.29950 0.18860 0.22970 -0.01280 -0.01000 -0.01080 28  ALA A O   
204  C  CB  . ALA A 30 ? 0.29460 0.18810 0.23390 -0.02880 -0.01140 -0.01270 28  ALA A CB  
205  N  N   . LYS A 31 ? 0.22160 0.13560 0.17140 -0.01480 -0.00830 -0.01280 29  LYS A N   
206  C  CA  . LYS A 31 ? 0.20660 0.12410 0.15540 -0.01120 -0.00740 -0.01150 29  LYS A CA  
207  C  C   . LYS A 31 ? 0.19650 0.12340 0.15090 -0.00580 -0.00730 -0.01220 29  LYS A C   
208  O  O   . LYS A 31 ? 0.20870 0.14650 0.17070 -0.00650 -0.00660 -0.01290 29  LYS A O   
209  C  CB  . LYS A 31 ? 0.23220 0.15690 0.18560 -0.01580 -0.00620 -0.01120 29  LYS A CB  
210  C  CG  . LYS A 31 ? 0.27880 0.19500 0.22610 -0.02140 -0.00610 -0.00930 29  LYS A CG  
211  C  CD  . LYS A 31 ? 0.32460 0.24900 0.27560 -0.02530 -0.00450 -0.00860 29  LYS A CD  
212  C  CE  . LYS A 31 ? 0.36730 0.28320 0.31140 -0.03090 -0.00420 -0.00560 29  LYS A CE  
213  N  NZ  . LYS A 31 ? 0.45330 0.37890 0.40100 -0.03460 -0.00220 -0.00450 29  LYS A NZ  
214  N  N   . THR A 32 ? 0.22110 0.14400 0.17140 -0.00060 -0.00790 -0.01200 30  THR A N   
215  C  CA  . THR A 32 ? 0.22650 0.15960 0.18220 0.00410  -0.00760 -0.01200 30  THR A CA  
216  C  C   . THR A 32 ? 0.20140 0.13840 0.15460 0.00890  -0.00750 -0.01030 30  THR A C   
217  O  O   . THR A 32 ? 0.23150 0.16260 0.17820 0.00900  -0.00750 -0.00910 30  THR A O   
218  C  CB  . THR A 32 ? 0.21190 0.14120 0.16410 0.00860  -0.00790 -0.01210 30  THR A CB  
219  O  OG1 . THR A 32 ? 0.24510 0.16420 0.18570 0.01470  -0.00830 -0.01090 30  THR A OG1 
220  C  CG2 . THR A 32 ? 0.23760 0.16100 0.18980 0.00420  -0.00860 -0.01370 30  THR A CG2 
221  N  N   . LEU A 33 ? 0.19430 0.14230 0.15280 0.01260  -0.00730 -0.00990 31  LEU A N   
222  C  CA  . LEU A 33 ? 0.18220 0.13650 0.13890 0.01780  -0.00750 -0.00820 31  LEU A CA  
223  C  C   . LEU A 33 ? 0.21610 0.16620 0.16460 0.02630  -0.00750 -0.00640 31  LEU A C   
224  O  O   . LEU A 33 ? 0.23390 0.19220 0.18180 0.03200  -0.00760 -0.00460 31  LEU A O   
225  C  CB  . LEU A 33 ? 0.18420 0.15490 0.15200 0.01610  -0.00770 -0.00850 31  LEU A CB  
226  C  CG  . LEU A 33 ? 0.17660 0.15080 0.15220 0.00860  -0.00780 -0.01090 31  LEU A CG  
227  C  CD1 . LEU A 33 ? 0.17320 0.16130 0.15780 0.00700  -0.00850 -0.01130 31  LEU A CD1 
228  C  CD2 . LEU A 33 ? 0.18690 0.15540 0.15800 0.00590  -0.00780 -0.01150 31  LEU A CD2 
229  N  N   . GLN A 34 ? 0.22420 0.16210 0.16590 0.02760  -0.00750 -0.00700 32  GLN A N   
230  C  CA  . GLN A 34 ? 0.25290 0.18310 0.18380 0.03650  -0.00750 -0.00580 32  GLN A CA  
231  C  C   . GLN A 34 ? 0.25450 0.17340 0.17440 0.03960  -0.00790 -0.00420 32  GLN A C   
232  O  O   . GLN A 34 ? 0.27650 0.18810 0.19470 0.03350  -0.00820 -0.00440 32  GLN A O   
233  C  CB  . GLN A 34 ? 0.24730 0.16520 0.17210 0.03670  -0.00780 -0.00750 32  GLN A CB  
234  C  CG  . GLN A 34 ? 0.32460 0.25230 0.25890 0.03410  -0.00730 -0.00860 32  GLN A CG  
235  C  CD  . GLN A 34 ? 0.46830 0.38300 0.39560 0.03330  -0.00810 -0.01070 32  GLN A CD  
236  O  OE1 . GLN A 34 ? 0.52090 0.42720 0.44750 0.02620  -0.00910 -0.01220 32  GLN A OE1 
237  N  NE2 . GLN A 34 ? 0.54740 0.46130 0.46940 0.04060  -0.00780 -0.01070 32  GLN A NE2 
238  N  N   . LYS A 35 ? 0.26050 0.17830 0.17260 0.04950  -0.00780 -0.00240 33  LYS A N   
239  C  CA  . LYS A 35 ? 0.28640 0.19530 0.18830 0.05380  -0.00810 -0.00010 33  LYS A CA  
240  C  C   . LYS A 35 ? 0.30970 0.19570 0.20020 0.04990  -0.00880 -0.00050 33  LYS A C   
241  O  O   . LYS A 35 ? 0.32880 0.20880 0.21520 0.04720  -0.00900 0.00120  33  LYS A O   
242  C  CB  . LYS A 35 ? 0.30050 0.21100 0.19470 0.06670  -0.00780 0.00190  33  LYS A CB  
243  C  CG  . LYS A 35 ? 0.39780 0.30110 0.28180 0.07230  -0.00820 0.00480  33  LYS A CG  
244  C  CD  . LYS A 35 ? 0.47810 0.38350 0.35410 0.08640  -0.00780 0.00690  33  LYS A CD  
245  C  CE  . LYS A 35 ? 0.55480 0.45130 0.41910 0.09300  -0.00820 0.01020  33  LYS A CE  
246  N  NZ  . LYS A 35 ? 0.53540 0.40250 0.38420 0.09170  -0.00870 0.01010  33  LYS A NZ  
247  N  N   . ALA A 36 ? 0.32810 0.20130 0.21310 0.04900  -0.00930 -0.00260 34  ALA A N   
248  C  CA  . ALA A 36 ? 0.36660 0.21740 0.24040 0.04440  -0.01040 -0.00300 34  ALA A CA  
249  C  C   . ALA A 36 ? 0.34340 0.19690 0.22460 0.03250  -0.01040 -0.00300 34  ALA A C   
250  O  O   . ALA A 36 ? 0.35790 0.19880 0.23170 0.02880  -0.01070 -0.00120 34  ALA A O   
251  C  CB  . ALA A 36 ? 0.40950 0.24840 0.27730 0.04460  -0.01150 -0.00590 34  ALA A CB  
252  N  N   . ASP A 37 ? 0.29430 0.16420 0.18990 0.02690  -0.00980 -0.00470 35  ASP A N   
253  C  CA  . ASP A 37 ? 0.31050 0.18510 0.21360 0.01700  -0.00950 -0.00480 35  ASP A CA  
254  C  C   . ASP A 37 ? 0.30840 0.19060 0.21320 0.01740  -0.00870 -0.00250 35  ASP A C   
255  O  O   . ASP A 37 ? 0.29310 0.17010 0.19530 0.01190  -0.00840 -0.00100 35  ASP A O   
256  C  CB  . ASP A 37 ? 0.26560 0.15470 0.18250 0.01240  -0.00920 -0.00730 35  ASP A CB  
257  C  CG  . ASP A 37 ? 0.33560 0.21710 0.25130 0.00880  -0.01020 -0.00950 35  ASP A CG  
258  O  OD1 . ASP A 37 ? 0.33160 0.19610 0.23590 0.00850  -0.01140 -0.00950 35  ASP A OD1 
259  O  OD2 . ASP A 37 ? 0.31230 0.20440 0.23790 0.00620  -0.01000 -0.01120 35  ASP A OD2 
260  N  N   . LEU A 38 ? 0.27460 0.17000 0.18370 0.02370  -0.00840 -0.00190 36  LEU A N   
261  C  CA  . LEU A 38 ? 0.28110 0.18360 0.19050 0.02460  -0.00800 0.00010  36  LEU A CA  
262  C  C   . LEU A 38 ? 0.29540 0.18160 0.19060 0.02730  -0.00810 0.00330  36  LEU A C   
263  O  O   . LEU A 38 ? 0.33600 0.22170 0.22960 0.02360  -0.00760 0.00510  36  LEU A O   
264  C  CB  . LEU A 38 ? 0.26820 0.18680 0.18290 0.03140  -0.00820 0.00040  36  LEU A CB  
265  C  CG  . LEU A 38 ? 0.23830 0.17310 0.16710 0.02800  -0.00820 -0.00220 36  LEU A CG  
266  C  CD1 . LEU A 38 ? 0.22160 0.17270 0.15540 0.03360  -0.00870 -0.00130 36  LEU A CD1 
267  C  CD2 . LEU A 38 ? 0.21430 0.15440 0.15100 0.01930  -0.00790 -0.00410 36  LEU A CD2 
268  N  N   . ASP A 39 ? 0.30060 0.17250 0.18460 0.03410  -0.00870 0.00420  37  ASP A N   
269  C  CA  . ASP A 39 ? 0.33500 0.18810 0.20380 0.03730  -0.00890 0.00750  37  ASP A CA  
270  C  C   . ASP A 39 ? 0.36340 0.20220 0.22810 0.02710  -0.00900 0.00810  37  ASP A C   
271  O  O   . ASP A 39 ? 0.41670 0.24720 0.27400 0.02540  -0.00860 0.01150  37  ASP A O   
272  C  CB  . ASP A 39 ? 0.36050 0.19990 0.21730 0.04720  -0.00960 0.00760  37  ASP A CB  
273  C  CG  . ASP A 39 ? 0.37750 0.23100 0.23590 0.05880  -0.00930 0.00860  37  ASP A CG  
274  O  OD1 . ASP A 39 ? 0.38590 0.25550 0.25090 0.05950  -0.00900 0.01020  37  ASP A OD1 
275  O  OD2 . ASP A 39 ? 0.44200 0.29120 0.29470 0.06740  -0.00950 0.00790  37  ASP A OD2 
276  N  N   . GLN A 40 ? 0.37460 0.21110 0.24390 0.02020  -0.00950 0.00510  38  GLN A N   
277  C  CA  . GLN A 40 ? 0.37650 0.20130 0.24280 0.00990  -0.00980 0.00560  38  GLN A CA  
278  C  C   . GLN A 40 ? 0.40730 0.24330 0.28080 0.00280  -0.00830 0.00750  38  GLN A C   
279  O  O   . GLN A 40 ? 0.38710 0.21290 0.25440 -0.00340 -0.00800 0.01050  38  GLN A O   
280  C  CB  . GLN A 40 ? 0.38080 0.20590 0.25290 0.00430  -0.01080 0.00180  38  GLN A CB  
281  C  CG  . GLN A 40 ? 0.46850 0.28620 0.34020 -0.00750 -0.01130 0.00230  38  GLN A CG  
282  C  CD  . GLN A 40 ? 0.45570 0.27390 0.33220 -0.01270 -0.01280 -0.00130 38  GLN A CD  
283  O  OE1 . GLN A 40 ? 0.49130 0.31430 0.37090 -0.00730 -0.01330 -0.00420 38  GLN A OE1 
284  N  NE2 . GLN A 40 ? 0.53240 0.34660 0.40960 -0.02330 -0.01350 -0.00090 38  GLN A NE2 
285  N  N   . TYR A 41 ? 0.32920 0.18600 0.21520 0.00340  -0.00740 0.00590  39  TYR A N   
286  C  CA  . TYR A 41 ? 0.34580 0.21450 0.23920 -0.00290 -0.00590 0.00660  39  TYR A CA  
287  C  C   . TYR A 41 ? 0.35160 0.22840 0.24340 0.00220  -0.00520 0.00890  39  TYR A C   
288  O  O   . TYR A 41 ? 0.35600 0.24460 0.25380 -0.00150 -0.00400 0.00890  39  TYR A O   
289  C  CB  . TYR A 41 ? 0.32290 0.20760 0.23070 -0.00690 -0.00560 0.00270  39  TYR A CB  
290  C  CG  . TYR A 41 ? 0.32700 0.20530 0.23640 -0.01230 -0.00650 0.00080  39  TYR A CG  
291  C  CD1 . TYR A 41 ? 0.39080 0.26150 0.29740 -0.02060 -0.00640 0.00230  39  TYR A CD1 
292  C  CD2 . TYR A 41 ? 0.31920 0.19970 0.23270 -0.00920 -0.00740 -0.00230 39  TYR A CD2 
293  C  CE1 . TYR A 41 ? 0.34670 0.21280 0.25480 -0.02590 -0.00760 0.00040  39  TYR A CE1 
294  C  CE2 . TYR A 41 ? 0.36000 0.23530 0.27450 -0.01380 -0.00850 -0.00410 39  TYR A CE2 
295  C  CZ  . TYR A 41 ? 0.40980 0.27800 0.32160 -0.02220 -0.00880 -0.00290 39  TYR A CZ  
296  O  OH  . TYR A 41 ? 0.37410 0.23840 0.28690 -0.02710 -0.01030 -0.00490 39  TYR A OH  
297  N  N   . GLY A 42 ? 0.37450 0.24530 0.25780 0.01110  -0.00590 0.01070  40  GLY A N   
298  C  CA  . GLY A 42 ? 0.35340 0.23180 0.23410 0.01630  -0.00560 0.01330  40  GLY A CA  
299  C  C   . GLY A 42 ? 0.33970 0.23980 0.23220 0.01820  -0.00590 0.01030  40  GLY A C   
300  O  O   . GLY A 42 ? 0.33590 0.24590 0.22930 0.01880  -0.00560 0.01130  40  GLY A O   
301  N  N   . MET A 43 ? 0.30190 0.20920 0.20300 0.01900  -0.00650 0.00680  41  MET A N   
302  C  CA  . MET A 43 ? 0.27240 0.19890 0.18530 0.01900  -0.00700 0.00380  41  MET A CA  
303  C  C   . MET A 43 ? 0.25840 0.19270 0.17200 0.02740  -0.00820 0.00400  41  MET A C   
304  O  O   . MET A 43 ? 0.29970 0.24940 0.22350 0.02690  -0.00890 0.00170  41  MET A O   
305  C  CB  . MET A 43 ? 0.25240 0.18320 0.17590 0.01240  -0.00670 0.00010  41  MET A CB  
306  C  CG  . MET A 43 ? 0.26130 0.18980 0.18640 0.00440  -0.00540 -0.00030 41  MET A CG  
307  S  SD  . MET A 43 ? 0.30550 0.24730 0.23370 0.00290  -0.00490 -0.00090 41  MET A SD  
308  C  CE  . MET A 43 ? 0.29800 0.25540 0.23860 0.00340  -0.00620 -0.00540 41  MET A CE  
309  N  N   . ALA A 44 ? 0.27760 0.20180 0.18050 0.03510  -0.00840 0.00700  42  ALA A N   
310  C  CA  . ALA A 44 ? 0.28290 0.21570 0.18650 0.04400  -0.00920 0.00750  42  ALA A CA  
311  C  C   . ALA A 44 ? 0.32560 0.27040 0.22790 0.04930  -0.01010 0.00980  42  ALA A C   
312  O  O   . ALA A 44 ? 0.33570 0.27730 0.22890 0.05850  -0.01050 0.01300  42  ALA A O   
313  C  CB  . ALA A 44 ? 0.31180 0.22820 0.20410 0.05100  -0.00900 0.00910  42  ALA A CB  
314  N  N   . SER A 45 ? 0.25360 0.21220 0.16430 0.04370  -0.01070 0.00790  43  SER A N   
315  C  CA  . SER A 45 ? 0.29040 0.26300 0.20110 0.04790  -0.01210 0.00930  43  SER A CA  
316  C  C   . SER A 45 ? 0.27700 0.26680 0.20000 0.04120  -0.01330 0.00540  43  SER A C   
317  O  O   . SER A 45 ? 0.23880 0.22680 0.16820 0.03330  -0.01260 0.00220  43  SER A O   
318  C  CB  . SER A 45 ? 0.30920 0.27260 0.20850 0.04940  -0.01160 0.01270  43  SER A CB  
319  O  OG  . SER A 45 ? 0.28500 0.24630 0.18660 0.04060  -0.01070 0.01100  43  SER A OG  
320  N  N   . ILE A 46 ? 0.25810 0.26440 0.18400 0.04470  -0.01530 0.00570  44  ILE A N   
321  C  CA  . ILE A 46 ? 0.23420 0.25570 0.17020 0.03830  -0.01700 0.00180  44  ILE A CA  
322  C  C   . ILE A 46 ? 0.23230 0.24870 0.16590 0.03230  -0.01640 -0.00010 44  ILE A C   
323  O  O   . ILE A 46 ? 0.25580 0.27420 0.19670 0.02510  -0.01630 -0.00420 44  ILE A O   
324  C  CB  . ILE A 46 ? 0.27040 0.31070 0.20840 0.04290  -0.01980 0.00270  44  ILE A CB  
325  C  CG1 . ILE A 46 ? 0.30010 0.34900 0.24220 0.04860  -0.02020 0.00470  44  ILE A CG1 
326  C  CG2 . ILE A 46 ? 0.30680 0.36050 0.25340 0.03540  -0.02220 -0.00180 44  ILE A CG2 
327  C  CD1 . ILE A 46 ? 0.29680 0.34830 0.24960 0.04280  -0.01970 0.00200  44  ILE A CD1 
328  N  N   . GLU A 47 ? 0.24400 0.25350 0.16680 0.03570  -0.01570 0.00320  45  GLU A N   
329  C  CA  . GLU A 47 ? 0.26180 0.26950 0.18240 0.03060  -0.01480 0.00180  45  GLU A CA  
330  C  C   . GLU A 47 ? 0.23280 0.22840 0.15520 0.02410  -0.01230 0.00040  45  GLU A C   
331  O  O   . GLU A 47 ? 0.25730 0.25620 0.18370 0.01840  -0.01180 -0.00290 45  GLU A O   
332  C  CB  . GLU A 47 ? 0.30070 0.30430 0.20900 0.03560  -0.01440 0.00650  45  GLU A CB  
333  C  CG  . GLU A 47 ? 0.28720 0.27200 0.18470 0.03920  -0.01230 0.01180  45  GLU A CG  
334  C  CD  . GLU A 47 ? 0.34720 0.31830 0.24240 0.03230  -0.00950 0.01210  45  GLU A CD  
335  O  OE1 . GLU A 47 ? 0.33740 0.31400 0.23680 0.02620  -0.00880 0.00940  45  GLU A OE1 
336  O  OE2 . GLU A 47 ? 0.32850 0.28330 0.21730 0.03290  -0.00820 0.01520  45  GLU A OE2 
337  N  N   . ALA A 48 ? 0.24140 0.22360 0.16070 0.02500  -0.01080 0.00270  46  ALA A N   
338  C  CA  . ALA A 48 ? 0.25460 0.22690 0.17590 0.01840  -0.00880 0.00150  46  ALA A CA  
339  C  C   . ALA A 48 ? 0.23550 0.21510 0.16890 0.01370  -0.00930 -0.00340 46  ALA A C   
340  O  O   . ALA A 48 ? 0.23060 0.21060 0.16810 0.00800  -0.00820 -0.00600 46  ALA A O   
341  C  CB  . ALA A 48 ? 0.30720 0.26280 0.22150 0.02020  -0.00770 0.00470  46  ALA A CB  
342  N  N   . ILE A 49 ? 0.22820 0.21390 0.16700 0.01640  -0.01070 -0.00440 47  ILE A N   
343  C  CA  . ILE A 49 ? 0.23860 0.23080 0.18840 0.01190  -0.01130 -0.00840 47  ILE A CA  
344  C  C   . ILE A 49 ? 0.21510 0.21760 0.16970 0.00820  -0.01240 -0.01210 47  ILE A C   
345  O  O   . ILE A 49 ? 0.20940 0.21200 0.16990 0.00310  -0.01190 -0.01550 47  ILE A O   
346  C  CB  . ILE A 49 ? 0.20410 0.20270 0.15840 0.01570  -0.01250 -0.00780 47  ILE A CB  
347  C  CG1 . ILE A 49 ? 0.22400 0.21100 0.17300 0.01970  -0.01120 -0.00500 47  ILE A CG1 
348  C  CG2 . ILE A 49 ? 0.18110 0.18730 0.14660 0.01050  -0.01320 -0.01140 47  ILE A CG2 
349  C  CD1 . ILE A 49 ? 0.22060 0.21490 0.17160 0.02570  -0.01200 -0.00350 47  ILE A CD1 
350  N  N   . THR A 50 ? 0.20890 0.22000 0.16030 0.01100  -0.01410 -0.01160 48  THR A N   
351  C  CA  . THR A 50 ? 0.21770 0.23790 0.17190 0.00770  -0.01570 -0.01560 48  THR A CA  
352  C  C   . THR A 50 ? 0.22720 0.24160 0.17860 0.00430  -0.01360 -0.01720 48  THR A C   
353  O  O   . THR A 50 ? 0.21510 0.23230 0.17120 0.00030  -0.01390 -0.02180 48  THR A O   
354  C  CB  . THR A 50 ? 0.22310 0.25330 0.17270 0.01200  -0.01810 -0.01430 48  THR A CB  
355  O  OG1 . THR A 50 ? 0.22620 0.26540 0.18030 0.01490  -0.02020 -0.01320 48  THR A OG1 
356  C  CG2 . THR A 50 ? 0.25220 0.29050 0.20270 0.00860  -0.02000 -0.01900 48  THR A CG2 
357  N  N   . THR A 51 ? 0.22950 0.23570 0.17290 0.00590  -0.01140 -0.01340 49  THR A N   
358  C  CA  . THR A 51 ? 0.25010 0.25290 0.19110 0.00260  -0.00900 -0.01400 49  THR A CA  
359  C  C   . THR A 51 ? 0.21840 0.21740 0.16670 -0.00200 -0.00760 -0.01670 49  THR A C   
360  O  O   . THR A 51 ? 0.26100 0.26320 0.21190 -0.00470 -0.00690 -0.02020 49  THR A O   
361  C  CB  . THR A 51 ? 0.30480 0.29890 0.23630 0.00420  -0.00690 -0.00840 49  THR A CB  
362  O  OG1 . THR A 51 ? 0.29620 0.29500 0.22030 0.00870  -0.00810 -0.00610 49  THR A OG1 
363  C  CG2 . THR A 51 ? 0.30160 0.29290 0.23210 -0.00020 -0.00400 -0.00830 49  THR A CG2 
364  N  N   . GLN A 52 ? 0.21920 0.21180 0.17040 -0.00220 -0.00730 -0.01520 50  GLN A N   
365  C  CA  . GLN A 52 ? 0.23230 0.22140 0.18970 -0.00610 -0.00610 -0.01720 50  GLN A CA  
366  C  C   . GLN A 52 ? 0.21800 0.21340 0.18370 -0.00780 -0.00750 -0.02200 50  GLN A C   
367  O  O   . GLN A 52 ? 0.23980 0.23520 0.20950 -0.01050 -0.00650 -0.02480 50  GLN A O   
368  C  CB  . GLN A 52 ? 0.26000 0.24030 0.21710 -0.00570 -0.00570 -0.01440 50  GLN A CB  
369  C  CG  . GLN A 52 ? 0.24030 0.21760 0.20290 -0.00980 -0.00440 -0.01600 50  GLN A CG  
370  C  CD  . GLN A 52 ? 0.29790 0.26510 0.25600 -0.01110 -0.00330 -0.01270 50  GLN A CD  
371  O  OE1 . GLN A 52 ? 0.34540 0.30720 0.29570 -0.01090 -0.00250 -0.00930 50  GLN A OE1 
372  N  NE2 . GLN A 52 ? 0.28040 0.24430 0.24290 -0.01280 -0.00330 -0.01350 50  GLN A NE2 
373  N  N   . VAL A 53 ? 0.19080 0.19160 0.15910 -0.00620 -0.01000 -0.02270 51  VAL A N   
374  C  CA  . VAL A 53 ? 0.16530 0.17130 0.14080 -0.00870 -0.01170 -0.02710 51  VAL A CA  
375  C  C   . VAL A 53 ? 0.21010 0.21960 0.18390 -0.01010 -0.01210 -0.03120 51  VAL A C   
376  O  O   . VAL A 53 ? 0.19780 0.20630 0.17560 -0.01260 -0.01210 -0.03510 51  VAL A O   
377  C  CB  . VAL A 53 ? 0.16780 0.18080 0.14630 -0.00730 -0.01430 -0.02640 51  VAL A CB  
378  C  CG1 . VAL A 53 ? 0.16870 0.18700 0.15390 -0.01120 -0.01660 -0.03070 51  VAL A CG1 
379  C  CG2 . VAL A 53 ? 0.16990 0.17930 0.15020 -0.00540 -0.01350 -0.02280 51  VAL A CG2 
380  N  N   . THR A 54 ? 0.20800 0.22120 0.17500 -0.00790 -0.01250 -0.03040 52  THR A N   
381  C  CA  . THR A 54 ? 0.18980 0.20700 0.15390 -0.00860 -0.01310 -0.03460 52  THR A CA  
382  C  C   . THR A 54 ? 0.21620 0.22940 0.17940 -0.00950 -0.00990 -0.03570 52  THR A C   
383  O  O   . THR A 54 ? 0.21620 0.22990 0.18100 -0.01070 -0.01020 -0.04060 52  THR A O   
384  C  CB  . THR A 54 ? 0.20500 0.22790 0.16140 -0.00550 -0.01410 -0.03280 52  THR A CB  
385  O  OG1 . THR A 54 ? 0.24290 0.27180 0.20080 -0.00410 -0.01720 -0.03170 52  THR A OG1 
386  C  CG2 . THR A 54 ? 0.22700 0.25450 0.17920 -0.00570 -0.01490 -0.03760 52  THR A CG2 
387  N  N   . ASN A 55 ? 0.24270 0.25190 0.20310 -0.00910 -0.00710 -0.03120 53  ASN A N   
388  C  CA  . ASN A 55 ? 0.22990 0.23860 0.18900 -0.01000 -0.00390 -0.03130 53  ASN A CA  
389  C  C   . ASN A 55 ? 0.21760 0.22190 0.18300 -0.01220 -0.00230 -0.03130 53  ASN A C   
390  O  O   . ASN A 55 ? 0.23680 0.24310 0.20290 -0.01280 0.00000  -0.03240 53  ASN A O   
391  C  CB  . ASN A 55 ? 0.26970 0.27770 0.22150 -0.00930 -0.00170 -0.02600 53  ASN A CB  
392  C  CG  . ASN A 55 ? 0.31320 0.32630 0.25760 -0.00650 -0.00290 -0.02570 53  ASN A CG  
393  O  OD1 . ASN A 55 ? 0.31110 0.32970 0.25530 -0.00550 -0.00500 -0.03050 53  ASN A OD1 
394  N  ND2 . ASN A 55 ? 0.37180 0.38240 0.30940 -0.00530 -0.00190 -0.02010 53  ASN A ND2 
395  N  N   . GLY A 56 ? 0.20720 0.20720 0.17710 -0.01300 -0.00340 -0.03000 54  GLY A N   
396  C  CA  . GLY A 56 ? 0.20070 0.19670 0.17550 -0.01490 -0.00200 -0.02900 54  GLY A CA  
397  C  C   . GLY A 56 ? 0.24860 0.24150 0.21960 -0.01630 0.00020  -0.02440 54  GLY A C   
398  O  O   . GLY A 56 ? 0.26880 0.26210 0.23320 -0.01580 0.00100  -0.02170 54  GLY A O   
399  N  N   . LYS A 57 ? 0.18330 0.17310 0.15830 -0.01840 0.00100  -0.02340 55  LYS A N   
400  C  CA  . LYS A 57 ? 0.23750 0.22410 0.20960 -0.02120 0.00270  -0.01930 55  LYS A CA  
401  C  C   . LYS A 57 ? 0.26740 0.25330 0.24550 -0.02360 0.00310  -0.01960 55  LYS A C   
402  O  O   . LYS A 57 ? 0.21140 0.19360 0.19280 -0.02300 0.00160  -0.02040 55  LYS A O   
403  C  CB  . LYS A 57 ? 0.28870 0.26690 0.25440 -0.02080 0.00170  -0.01540 55  LYS A CB  
404  C  CG  . LYS A 57 ? 0.30370 0.27610 0.26540 -0.02470 0.00300  -0.01130 55  LYS A CG  
405  C  CD  . LYS A 57 ? 0.37680 0.33840 0.33010 -0.02350 0.00190  -0.00760 55  LYS A CD  
406  C  CE  . LYS A 57 ? 0.50200 0.45650 0.44990 -0.02840 0.00310  -0.00320 55  LYS A CE  
407  N  NZ  . LYS A 57 ? 0.52090 0.46180 0.45880 -0.02680 0.00210  0.00040  55  LYS A NZ  
408  N  N   . GLY A 58 ? 0.26530 0.25600 0.24480 -0.02630 0.00510  -0.01860 56  GLY A N   
409  C  CA  . GLY A 58 ? 0.24960 0.24120 0.23490 -0.02860 0.00520  -0.01870 56  GLY A CA  
410  C  C   . GLY A 58 ? 0.22590 0.21970 0.21740 -0.02550 0.00440  -0.02270 56  GLY A C   
411  O  O   . GLY A 58 ? 0.21940 0.21790 0.21230 -0.02280 0.00500  -0.02590 56  GLY A O   
412  N  N   . ALA A 59 ? 0.19910 0.18840 0.19370 -0.02580 0.00300  -0.02260 57  ALA A N   
413  C  CA  . ALA A 59 ? 0.20190 0.19180 0.20190 -0.02330 0.00210  -0.02560 57  ALA A CA  
414  C  C   . ALA A 59 ? 0.18050 0.16730 0.17980 -0.02090 0.00060  -0.02730 57  ALA A C   
415  O  O   . ALA A 59 ? 0.18580 0.17240 0.18920 -0.01950 -0.00020 -0.02960 57  ALA A O   
416  C  CB  . ALA A 59 ? 0.18390 0.17110 0.18710 -0.02440 0.00120  -0.02440 57  ALA A CB  
417  N  N   . MET A 60 ? 0.16900 0.15350 0.16320 -0.02070 -0.00010 -0.02610 58  MET A N   
418  C  CA  . MET A 60 ? 0.16520 0.14930 0.15930 -0.01880 -0.00180 -0.02760 58  MET A CA  
419  C  C   . MET A 60 ? 0.18880 0.17730 0.18220 -0.01790 -0.00180 -0.03090 58  MET A C   
420  O  O   . MET A 60 ? 0.19300 0.18410 0.18190 -0.01780 -0.00070 -0.03050 58  MET A O   
421  C  CB  . MET A 60 ? 0.14970 0.13090 0.13840 -0.01780 -0.00270 -0.02490 58  MET A CB  
422  C  CG  . MET A 60 ? 0.18540 0.16940 0.17490 -0.01600 -0.00460 -0.02620 58  MET A CG  
423  S  SD  . MET A 60 ? 0.15290 0.13430 0.13710 -0.01320 -0.00570 -0.02250 58  MET A SD  
424  C  CE  . MET A 60 ? 0.15560 0.14490 0.13950 -0.01170 -0.00760 -0.02420 58  MET A CE  
425  N  N   . PRO A 61 ? 0.16630 0.15490 0.16320 -0.01730 -0.00300 -0.03420 59  PRO A N   
426  C  CA  . PRO A 61 ? 0.19650 0.18770 0.19140 -0.01650 -0.00350 -0.03820 59  PRO A CA  
427  C  C   . PRO A 61 ? 0.20380 0.19770 0.19390 -0.01610 -0.00490 -0.03800 59  PRO A C   
428  O  O   . PRO A 61 ? 0.19160 0.18520 0.18070 -0.01610 -0.00600 -0.03510 59  PRO A O   
429  C  CB  . PRO A 61 ? 0.17250 0.16060 0.17190 -0.01690 -0.00510 -0.04130 59  PRO A CB  
430  C  CG  . PRO A 61 ? 0.21930 0.20470 0.22340 -0.01770 -0.00530 -0.03830 59  PRO A CG  
431  C  CD  . PRO A 61 ? 0.16720 0.15300 0.16950 -0.01770 -0.00400 -0.03430 59  PRO A CD  
432  N  N   . ALA A 62 ? 0.17310 0.16980 0.15960 -0.01520 -0.00500 -0.04140 60  ALA A N   
433  C  CA  . ALA A 62 ? 0.18090 0.18120 0.16260 -0.01460 -0.00690 -0.04210 60  ALA A CA  
434  C  C   . ALA A 62 ? 0.20380 0.20410 0.18820 -0.01600 -0.01020 -0.04580 60  ALA A C   
435  O  O   . ALA A 62 ? 0.22950 0.22600 0.21690 -0.01700 -0.01080 -0.04920 60  ALA A O   
436  C  CB  . ALA A 62 ? 0.21680 0.22090 0.19260 -0.01290 -0.00540 -0.04410 60  ALA A CB  
437  N  N   . PHE A 63 ? 0.18030 0.18490 0.16320 -0.01620 -0.01260 -0.04470 61  PHE A N   
438  C  CA  . PHE A 63 ? 0.16090 0.16760 0.14650 -0.01860 -0.01620 -0.04770 61  PHE A CA  
439  C  C   . PHE A 63 ? 0.19800 0.21070 0.17810 -0.01830 -0.01870 -0.05050 61  PHE A C   
440  O  O   . PHE A 63 ? 0.24510 0.26070 0.22710 -0.02100 -0.02220 -0.05310 61  PHE A O   
441  C  CB  . PHE A 63 ? 0.19760 0.20680 0.18840 -0.01960 -0.01730 -0.04380 61  PHE A CB  
442  C  CG  . PHE A 63 ? 0.19520 0.19880 0.19130 -0.02020 -0.01550 -0.04160 61  PHE A CG  
443  C  CD1 . PHE A 63 ? 0.16000 0.16070 0.15480 -0.01800 -0.01270 -0.03800 61  PHE A CD1 
444  C  CD2 . PHE A 63 ? 0.19570 0.19670 0.19750 -0.02330 -0.01670 -0.04310 61  PHE A CD2 
445  C  CE1 . PHE A 63 ? 0.15970 0.15590 0.15890 -0.01850 -0.01130 -0.03620 61  PHE A CE1 
446  C  CE2 . PHE A 63 ? 0.20530 0.20170 0.21160 -0.02340 -0.01500 -0.04090 61  PHE A CE2 
447  C  CZ  . PHE A 63 ? 0.18850 0.18300 0.19340 -0.02080 -0.01240 -0.03760 61  PHE A CZ  
448  N  N   . GLY A 64 ? 0.19680 0.21190 0.17000 -0.01530 -0.01710 -0.04970 62  GLY A N   
449  C  CA  . GLY A 64 ? 0.26370 0.28550 0.23070 -0.01420 -0.01940 -0.05150 62  GLY A CA  
450  C  C   . GLY A 64 ? 0.27750 0.29920 0.24300 -0.01620 -0.02240 -0.05870 62  GLY A C   
451  O  O   . GLY A 64 ? 0.26920 0.29730 0.23150 -0.01680 -0.02590 -0.06070 62  GLY A O   
452  N  N   . SER A 65 ? 0.24110 0.25520 0.20780 -0.01710 -0.02140 -0.06260 63  SER A N   
453  C  CA  . SER A 65 ? 0.31330 0.32420 0.27710 -0.01880 -0.02450 -0.06990 63  SER A CA  
454  C  C   . SER A 65 ? 0.31830 0.32430 0.28870 -0.02400 -0.02760 -0.07170 63  SER A C   
455  O  O   . SER A 65 ? 0.33430 0.33640 0.30220 -0.02680 -0.03110 -0.07770 63  SER A O   
456  C  CB  . SER A 65 ? 0.32580 0.33060 0.28490 -0.01550 -0.02160 -0.07380 63  SER A CB  
457  O  OG  . SER A 65 ? 0.39810 0.39620 0.36310 -0.01540 -0.01900 -0.07200 63  SER A OG  
458  N  N   . LYS A 66 ? 0.29510 0.30090 0.27320 -0.02560 -0.02660 -0.06660 64  LYS A N   
459  C  CA  . LYS A 66 ? 0.30580 0.30710 0.29060 -0.03050 -0.02870 -0.06710 64  LYS A CA  
460  C  C   . LYS A 66 ? 0.31190 0.32270 0.30180 -0.03410 -0.03170 -0.06390 64  LYS A C   
461  O  O   . LYS A 66 ? 0.35330 0.36270 0.34780 -0.03960 -0.03460 -0.06510 64  LYS A O   
462  C  CB  . LYS A 66 ? 0.34440 0.33910 0.33440 -0.02950 -0.02520 -0.06370 64  LYS A CB  
463  C  CG  . LYS A 66 ? 0.44010 0.42530 0.42670 -0.02680 -0.02310 -0.06750 64  LYS A CG  
464  C  CD  . LYS A 66 ? 0.45190 0.43470 0.44220 -0.02400 -0.01900 -0.06330 64  LYS A CD  
465  C  CE  . LYS A 66 ? 0.50280 0.47850 0.48980 -0.02050 -0.01680 -0.06700 64  LYS A CE  
466  N  NZ  . LYS A 66 ? 0.57370 0.55250 0.55280 -0.01730 -0.01650 -0.07090 64  LYS A NZ  
467  N  N   . LEU A 67 ? 0.24800 0.26840 0.23710 -0.03100 -0.03100 -0.05950 65  LEU A N   
468  C  CA  . LEU A 67 ? 0.20330 0.23470 0.19690 -0.03270 -0.03340 -0.05580 65  LEU A CA  
469  C  C   . LEU A 67 ? 0.22350 0.26530 0.21180 -0.03150 -0.03630 -0.05720 65  LEU A C   
470  O  O   . LEU A 67 ? 0.23920 0.28050 0.22000 -0.02730 -0.03490 -0.05800 65  LEU A O   
471  C  CB  . LEU A 67 ? 0.20930 0.24270 0.20580 -0.02880 -0.03010 -0.04900 65  LEU A CB  
472  C  CG  . LEU A 67 ? 0.21230 0.23760 0.21440 -0.02980 -0.02740 -0.04710 65  LEU A CG  
473  C  CD1 . LEU A 67 ? 0.16870 0.19610 0.17190 -0.02560 -0.02470 -0.04100 65  LEU A CD1 
474  C  CD2 . LEU A 67 ? 0.23720 0.26280 0.24610 -0.03580 -0.02990 -0.04800 65  LEU A CD2 
475  N  N   . SER A 68 ? 0.22940 0.28190 0.22190 -0.03510 -0.04030 -0.05670 66  SER A N   
476  C  CA  . SER A 68 ? 0.21510 0.27970 0.20310 -0.03340 -0.04340 -0.05720 66  SER A CA  
477  C  C   . SER A 68 ? 0.22770 0.29860 0.21320 -0.02610 -0.04070 -0.05080 66  SER A C   
478  O  O   . SER A 68 ? 0.24020 0.30780 0.22880 -0.02340 -0.03730 -0.04590 66  SER A O   
479  C  CB  . SER A 68 ? 0.22680 0.30350 0.22090 -0.03960 -0.04860 -0.05810 66  SER A CB  
480  O  OG  . SER A 68 ? 0.24980 0.33490 0.25210 -0.03940 -0.04770 -0.05180 66  SER A OG  
481  N  N   . ALA A 69 ? 0.22580 0.30490 0.20460 -0.02270 -0.04240 -0.05100 67  ALA A N   
482  C  CA  . ALA A 69 ? 0.17940 0.26370 0.15460 -0.01540 -0.04030 -0.04460 67  ALA A CA  
483  C  C   . ALA A 69 ? 0.20280 0.29610 0.18550 -0.01460 -0.04080 -0.03960 67  ALA A C   
484  O  O   . ALA A 69 ? 0.18750 0.27710 0.16960 -0.00940 -0.03740 -0.03430 67  ALA A O   
485  C  CB  . ALA A 69 ? 0.21830 0.31180 0.18540 -0.01210 -0.04280 -0.04540 67  ALA A CB  
486  N  N   . ASP A 70 ? 0.18300 0.28790 0.17270 -0.01980 -0.04500 -0.04110 68  ASP A N   
487  C  CA  . ASP A 70 ? 0.20040 0.31630 0.19800 -0.01910 -0.04520 -0.03610 68  ASP A CA  
488  C  C   . ASP A 70 ? 0.18900 0.29460 0.19210 -0.02010 -0.04150 -0.03390 68  ASP A C   
489  O  O   . ASP A 70 ? 0.18530 0.29390 0.19020 -0.01510 -0.03910 -0.02850 68  ASP A O   
490  C  CB  . ASP A 70 ? 0.20370 0.33520 0.20850 -0.02610 -0.05060 -0.03810 68  ASP A CB  
491  C  CG  . ASP A 70 ? 0.23090 0.37760 0.23140 -0.02400 -0.05480 -0.03900 68  ASP A CG  
492  O  OD1 . ASP A 70 ? 0.21500 0.36080 0.20670 -0.01620 -0.05340 -0.03710 68  ASP A OD1 
493  O  OD2 . ASP A 70 ? 0.25950 0.41970 0.26540 -0.03050 -0.05980 -0.04110 68  ASP A OD2 
494  N  N   . ASP A 71 ? 0.18720 0.28070 0.19230 -0.02610 -0.04100 -0.03800 69  ASP A N   
495  C  CA  . ASP A 71 ? 0.19770 0.28100 0.20710 -0.02660 -0.03740 -0.03590 69  ASP A CA  
496  C  C   . ASP A 71 ? 0.18860 0.26390 0.19250 -0.01900 -0.03300 -0.03210 69  ASP A C   
497  O  O   . ASP A 71 ? 0.16150 0.23520 0.16830 -0.01650 -0.03050 -0.02810 69  ASP A O   
498  C  CB  . ASP A 71 ? 0.21240 0.28180 0.22220 -0.03210 -0.03700 -0.04100 69  ASP A CB  
499  C  CG  . ASP A 71 ? 0.28570 0.35810 0.30130 -0.04080 -0.04100 -0.04430 69  ASP A CG  
500  O  OD1 . ASP A 71 ? 0.28220 0.36820 0.30410 -0.04360 -0.04340 -0.04170 69  ASP A OD1 
501  O  OD2 . ASP A 71 ? 0.34380 0.40440 0.35730 -0.04480 -0.04170 -0.04950 69  ASP A OD2 
502  N  N   . ILE A 72 ? 0.18040 0.24980 0.17590 -0.01570 -0.03190 -0.03350 70  ILE A N   
503  C  CA  . ILE A 72 ? 0.16800 0.22790 0.15790 -0.01010 -0.02800 -0.03000 70  ILE A CA  
504  C  C   . ILE A 72 ? 0.18290 0.24950 0.16990 -0.00330 -0.02770 -0.02460 70  ILE A C   
505  O  O   . ILE A 72 ? 0.19250 0.25280 0.17820 0.00060  -0.02500 -0.02100 70  ILE A O   
506  C  CB  . ILE A 72 ? 0.21010 0.26260 0.19210 -0.00930 -0.02670 -0.03250 70  ILE A CB  
507  C  CG1 . ILE A 72 ? 0.20950 0.25380 0.19400 -0.01440 -0.02630 -0.03760 70  ILE A CG1 
508  C  CG2 . ILE A 72 ? 0.19950 0.24330 0.17520 -0.00430 -0.02310 -0.02820 70  ILE A CG2 
509  C  CD1 . ILE A 72 ? 0.22940 0.26880 0.20670 -0.01360 -0.02500 -0.04040 70  ILE A CD1 
510  N  N   . ALA A 73 ? 0.16340 0.24290 0.14890 -0.00130 -0.03070 -0.02420 71  ALA A N   
511  C  CA  . ALA A 73 ? 0.15850 0.24550 0.14120 0.00620  -0.03050 -0.01890 71  ALA A CA  
512  C  C   . ALA A 73 ? 0.18690 0.27910 0.17700 0.00700  -0.02990 -0.01600 71  ALA A C   
513  O  O   . ALA A 73 ? 0.20450 0.29340 0.19120 0.01380  -0.02760 -0.01170 71  ALA A O   
514  C  CB  . ALA A 73 ? 0.20960 0.31250 0.19070 0.00790  -0.03440 -0.01900 71  ALA A CB  
515  N  N   . ASP A 74 ? 0.16800 0.26800 0.16770 0.00000  -0.03190 -0.01820 72  ASP A N   
516  C  CA  . ASP A 74 ? 0.19330 0.30040 0.20070 0.00010  -0.03110 -0.01500 72  ASP A CA  
517  C  C   . ASP A 74 ? 0.14890 0.24080 0.15560 0.00130  -0.02720 -0.01390 72  ASP A C   
518  O  O   . ASP A 74 ? 0.15870 0.25270 0.16580 0.00650  -0.02530 -0.01000 72  ASP A O   
519  C  CB  . ASP A 74 ? 0.17060 0.28830 0.18820 -0.00900 -0.03410 -0.01730 72  ASP A CB  
520  C  CG  . ASP A 74 ? 0.29170 0.42780 0.31130 -0.01060 -0.03860 -0.01790 72  ASP A CG  
521  O  OD1 . ASP A 74 ? 0.25250 0.39580 0.26630 -0.00310 -0.03910 -0.01560 72  ASP A OD1 
522  O  OD2 . ASP A 74 ? 0.29670 0.43980 0.32320 -0.01940 -0.04180 -0.02060 72  ASP A OD2 
523  N  N   . VAL A 75 ? 0.14590 0.22360 0.15150 -0.00340 -0.02600 -0.01740 73  VAL A N   
524  C  CA  . VAL A 75 ? 0.14430 0.20940 0.14960 -0.00250 -0.02270 -0.01630 73  VAL A CA  
525  C  C   . VAL A 75 ? 0.16740 0.22360 0.16340 0.00520  -0.02040 -0.01350 73  VAL A C   
526  O  O   . VAL A 75 ? 0.17030 0.22100 0.16530 0.00860  -0.01820 -0.01100 73  VAL A O   
527  C  CB  . VAL A 75 ? 0.13530 0.18880 0.14210 -0.00870 -0.02200 -0.02040 73  VAL A CB  
528  C  CG1 . VAL A 75 ? 0.16300 0.20690 0.16190 -0.00750 -0.02110 -0.02250 73  VAL A CG1 
529  C  CG2 . VAL A 75 ? 0.15650 0.20190 0.16640 -0.00910 -0.01950 -0.01910 73  VAL A CG2 
530  N  N   . ALA A 76 ? 0.17400 0.22830 0.16240 0.00800  -0.02080 -0.01360 74  ALA A N   
531  C  CA  . ALA A 76 ? 0.17520 0.22020 0.15400 0.01500  -0.01890 -0.01030 74  ALA A CA  
532  C  C   . ALA A 76 ? 0.17540 0.22770 0.15300 0.02260  -0.01890 -0.00620 74  ALA A C   
533  O  O   . ALA A 76 ? 0.23330 0.27590 0.20550 0.02770  -0.01690 -0.00380 74  ALA A O   
534  C  CB  . ALA A 76 ? 0.15920 0.20220 0.13000 0.01640  -0.01950 -0.01050 74  ALA A CB  
535  N  N   . SER A 77 ? 0.17230 0.24230 0.15480 0.02350  -0.02130 -0.00550 75  SER A N   
536  C  CA  . SER A 77 ? 0.15610 0.23610 0.13830 0.03150  -0.02120 -0.00130 75  SER A CA  
537  C  C   . SER A 77 ? 0.19700 0.27640 0.18450 0.03140  -0.01930 -0.00030 75  SER A C   
538  O  O   . SER A 77 ? 0.18920 0.26590 0.17180 0.03940  -0.01760 0.00270  75  SER A O   
539  C  CB  . SER A 77 ? 0.16200 0.26420 0.15020 0.03120  -0.02440 -0.00080 75  SER A CB  
540  O  OG  . SER A 77 ? 0.26320 0.36650 0.24530 0.03240  -0.02630 -0.00160 75  SER A OG  
541  N  N   . TYR A 78 ? 0.16590 0.24700 0.16250 0.02270  -0.01960 -0.00280 76  TYR A N   
542  C  CA  . TYR A 78 ? 0.16130 0.24240 0.16310 0.02210  -0.01780 -0.00160 76  TYR A CA  
543  C  C   . TYR A 78 ? 0.16360 0.22580 0.15760 0.02570  -0.01510 -0.00150 76  TYR A C   
544  O  O   . TYR A 78 ? 0.17040 0.23180 0.16240 0.03140  -0.01340 0.00090  76  TYR A O   
545  C  CB  . TYR A 78 ? 0.15400 0.23840 0.16590 0.01180  -0.01880 -0.00410 76  TYR A CB  
546  C  CG  . TYR A 78 ? 0.14590 0.22920 0.16300 0.01040  -0.01680 -0.00270 76  TYR A CG  
547  C  CD1 . TYR A 78 ? 0.19510 0.29430 0.21830 0.01230  -0.01650 0.00100  76  TYR A CD1 
548  C  CD2 . TYR A 78 ? 0.16190 0.22980 0.17770 0.00740  -0.01510 -0.00460 76  TYR A CD2 
549  C  CE1 . TYR A 78 ? 0.18340 0.28210 0.21070 0.01130  -0.01440 0.00280  76  TYR A CE1 
550  C  CE2 . TYR A 78 ? 0.18330 0.25050 0.20320 0.00650  -0.01340 -0.00300 76  TYR A CE2 
551  C  CZ  . TYR A 78 ? 0.19020 0.27240 0.21560 0.00840  -0.01300 0.00070  76  TYR A CZ  
552  O  OH  . TYR A 78 ? 0.22210 0.30420 0.25110 0.00780  -0.01100 0.00270  76  TYR A OH  
553  N  N   . VAL A 79 ? 0.17910 0.22660 0.16840 0.02230  -0.01470 -0.00410 77  VAL A N   
554  C  CA  . VAL A 79 ? 0.18160 0.21160 0.16380 0.02420  -0.01270 -0.00410 77  VAL A CA  
555  C  C   . VAL A 79 ? 0.18840 0.21250 0.15990 0.03380  -0.01190 -0.00120 77  VAL A C   
556  O  O   . VAL A 79 ? 0.21020 0.22620 0.17730 0.03800  -0.01050 -0.00020 77  VAL A O   
557  C  CB  . VAL A 79 ? 0.19590 0.21420 0.17550 0.01860  -0.01250 -0.00690 77  VAL A CB  
558  C  CG1 . VAL A 79 ? 0.17570 0.17680 0.14650 0.02060  -0.01080 -0.00640 77  VAL A CG1 
559  C  CG2 . VAL A 79 ? 0.18340 0.20410 0.17220 0.01050  -0.01280 -0.01000 77  VAL A CG2 
560  N  N   . LEU A 80 ? 0.21660 0.24340 0.18260 0.03780  -0.01290 0.00010  78  LEU A N   
561  C  CA  . LEU A 80 ? 0.22240 0.24110 0.17670 0.04750  -0.01230 0.00310  78  LEU A CA  
562  C  C   . LEU A 80 ? 0.25920 0.28800 0.21460 0.05550  -0.01170 0.00550  78  LEU A C   
563  O  O   . LEU A 80 ? 0.26550 0.28310 0.21210 0.06270  -0.01040 0.00680  78  LEU A O   
564  C  CB  . LEU A 80 ? 0.27170 0.29300 0.22020 0.05050  -0.01360 0.00450  78  LEU A CB  
565  C  CG  . LEU A 80 ? 0.32880 0.33510 0.26260 0.05880  -0.01290 0.00740  78  LEU A CG  
566  C  CD1 . LEU A 80 ? 0.33520 0.31920 0.26200 0.05460  -0.01150 0.00630  78  LEU A CD1 
567  C  CD2 . LEU A 80 ? 0.33330 0.34560 0.26290 0.06120  -0.01430 0.00910  78  LEU A CD2 
568  N  N   . ASP A 81 ? 0.22120 0.27100 0.18740 0.05390  -0.01280 0.00610  79  ASP A N   
569  C  CA  . ASP A 81 ? 0.25740 0.32090 0.22640 0.06100  -0.01200 0.00890  79  ASP A CA  
570  C  C   . ASP A 81 ? 0.24390 0.30020 0.21390 0.06040  -0.00990 0.00840  79  ASP A C   
571  O  O   . ASP A 81 ? 0.25560 0.30930 0.21910 0.06960  -0.00840 0.01030  79  ASP A O   
572  C  CB  . ASP A 81 ? 0.20910 0.29760 0.19070 0.05700  -0.01370 0.00980  79  ASP A CB  
573  C  CG  . ASP A 81 ? 0.31100 0.41740 0.29630 0.06440  -0.01280 0.01350  79  ASP A CG  
574  O  OD1 . ASP A 81 ? 0.30520 0.41520 0.28310 0.07570  -0.01250 0.01630  79  ASP A OD1 
575  O  OD2 . ASP A 81 ? 0.27800 0.39500 0.27340 0.05930  -0.01210 0.01400  79  ASP A OD2 
576  N  N   . GLN A 82 ? 0.18490 0.23800 0.16230 0.05040  -0.00990 0.00590  80  GLN A N   
577  C  CA  . GLN A 82 ? 0.21690 0.26330 0.19490 0.04980  -0.00800 0.00540  80  GLN A CA  
578  C  C   . GLN A 82 ? 0.23810 0.26260 0.20300 0.05460  -0.00710 0.00450  80  GLN A C   
579  O  O   . GLN A 82 ? 0.25520 0.27510 0.21550 0.06010  -0.00570 0.00510  80  GLN A O   
580  C  CB  . GLN A 82 ? 0.19410 0.23990 0.18160 0.03860  -0.00830 0.00300  80  GLN A CB  
581  C  CG  . GLN A 82 ? 0.20740 0.27230 0.20770 0.03290  -0.00910 0.00410  80  GLN A CG  
582  C  CD  . GLN A 82 ? 0.30210 0.38080 0.30610 0.03790  -0.00760 0.00770  80  GLN A CD  
583  O  OE1 . GLN A 82 ? 0.28180 0.35450 0.28390 0.03990  -0.00570 0.00820  80  GLN A OE1 
584  N  NE2 . GLN A 82 ? 0.34470 0.44330 0.35390 0.04010  -0.00840 0.01050  80  GLN A NE2 
585  N  N   . SER A 83 ? 0.23010 0.24100 0.18840 0.05240  -0.00790 0.00300  81  SER A N   
586  C  CA  . SER A 83 ? 0.23660 0.22570 0.18230 0.05520  -0.00730 0.00220  81  SER A CA  
587  C  C   . SER A 83 ? 0.30200 0.28700 0.23650 0.06750  -0.00680 0.00450  81  SER A C   
588  O  O   . SER A 83 ? 0.31490 0.28730 0.24110 0.07200  -0.00600 0.00390  81  SER A O   
589  C  CB  . SER A 83 ? 0.26730 0.24500 0.20900 0.04990  -0.00810 0.00110  81  SER A CB  
590  O  OG  . SER A 83 ? 0.33980 0.29660 0.27110 0.04970  -0.00780 0.00020  81  SER A OG  
591  N  N   . GLU A 84 ? 0.28850 0.28440 0.22200 0.07370  -0.00730 0.00700  82  GLU A N   
592  C  CA  . GLU A 84 ? 0.30640 0.29990 0.22910 0.08690  -0.00670 0.00950  82  GLU A CA  
593  C  C   . GLU A 84 ? 0.33460 0.33860 0.26030 0.09280  -0.00520 0.01020  82  GLU A C   
594  O  O   . GLU A 84 ? 0.41870 0.41390 0.33300 0.10350  -0.00420 0.01090  82  GLU A O   
595  C  CB  . GLU A 84 ? 0.33680 0.34360 0.25950 0.09240  -0.00770 0.01230  82  GLU A CB  
596  C  CG  . GLU A 84 ? 0.38610 0.37890 0.30110 0.08990  -0.00880 0.01230  82  GLU A CG  
597  C  CD  . GLU A 84 ? 0.49690 0.50570 0.41430 0.09260  -0.01030 0.01470  82  GLU A CD  
598  O  OE1 . GLU A 84 ? 0.55070 0.58150 0.47510 0.09750  -0.01060 0.01650  82  GLU A OE1 
599  O  OE2 . GLU A 84 ? 0.52720 0.52770 0.43970 0.08980  -0.01110 0.01490  82  GLU A OE2 
600  N  N   . LYS A 85 ? 0.27710 0.29890 0.21720 0.08620  -0.00490 0.01020  83  LYS A N   
601  C  CA  . LYS A 85 ? 0.32890 0.36230 0.27290 0.09050  -0.00310 0.01150  83  LYS A CA  
602  C  C   . LYS A 85 ? 0.33200 0.35150 0.27390 0.08660  -0.00220 0.00890  83  LYS A C   
603  O  O   . LYS A 85 ? 0.31820 0.34710 0.26370 0.08910  -0.00060 0.01000  83  LYS A O   
604  C  CB  . LYS A 85 ? 0.31420 0.37420 0.27460 0.08480  -0.00320 0.01350  83  LYS A CB  
605  C  CG  . LYS A 85 ? 0.33660 0.41610 0.30040 0.08970  -0.00420 0.01650  83  LYS A CG  
606  C  CD  . LYS A 85 ? 0.38220 0.48650 0.36280 0.08110  -0.00490 0.01800  83  LYS A CD  
607  C  CE  . LYS A 85 ? 0.43900 0.56500 0.42400 0.08480  -0.00650 0.02090  83  LYS A CE  
608  N  NZ  . LYS A 85 ? 0.43210 0.57810 0.43280 0.07310  -0.00830 0.02130  83  LYS A NZ  
609  N  N   . GLY A 86 ? 0.30640 0.30530 0.24280 0.08050  -0.00320 0.00590  84  GLY A N   
610  C  CA  . GLY A 86 ? 0.27050 0.25730 0.20470 0.07700  -0.00270 0.00350  84  GLY A CA  
611  C  C   . GLY A 86 ? 0.28790 0.28610 0.23590 0.06760  -0.00240 0.00310  84  GLY A C   
612  O  O   . GLY A 86 ? 0.29160 0.28510 0.23890 0.06670  -0.00170 0.00200  84  GLY A O   
613  N  N   . TRP A 87 ? 0.25420 0.26620 0.21400 0.06070  -0.00300 0.00400  85  TRP A N   
614  C  CA  . TRP A 87 ? 0.21410 0.23540 0.18660 0.05160  -0.00280 0.00380  85  TRP A CA  
615  C  C   . TRP A 87 ? 0.30710 0.33870 0.28290 0.05510  -0.00100 0.00600  85  TRP A C   
616  O  O   . TRP A 87 ? 0.27330 0.30280 0.25290 0.05040  -0.00040 0.00540  85  TRP A O   
617  C  CB  . TRP A 87 ? 0.23090 0.23730 0.20320 0.04340  -0.00360 0.00050  85  TRP A CB  
618  C  CG  . TRP A 87 ? 0.22690 0.22830 0.19920 0.03850  -0.00510 -0.00110 85  TRP A CG  
619  C  CD1 . TRP A 87 ? 0.21310 0.20010 0.17530 0.04020  -0.00570 -0.00220 85  TRP A CD1 
620  C  CD2 . TRP A 87 ? 0.19600 0.20690 0.17810 0.03110  -0.00600 -0.00170 85  TRP A CD2 
621  N  NE1 . TRP A 87 ? 0.20650 0.19480 0.17200 0.03460  -0.00670 -0.00310 85  TRP A NE1 
622  C  CE2 . TRP A 87 ? 0.16940 0.17200 0.14680 0.02930  -0.00700 -0.00320 85  TRP A CE2 
623  C  CE3 . TRP A 87 ? 0.20030 0.22480 0.19400 0.02570  -0.00620 -0.00100 85  TRP A CE3 
624  C  CZ2 . TRP A 87 ? 0.20500 0.21320 0.18860 0.02310  -0.00820 -0.00450 85  TRP A CZ2 
625  C  CZ3 . TRP A 87 ? 0.17190 0.20020 0.17140 0.01900  -0.00770 -0.00270 85  TRP A CZ3 
626  C  CH2 . TRP A 87 ? 0.18330 0.20380 0.17750 0.01820  -0.00860 -0.00460 85  TRP A CH2 
627  N  N   . GLN A 88 ? 0.26190 0.30580 0.23590 0.06410  0.00010  0.00890  86  GLN A N   
628  C  CA  . GLN A 88 ? 0.36390 0.41920 0.34010 0.06880  0.00230  0.01160  86  GLN A CA  
629  C  C   . GLN A 88 ? 0.43030 0.50400 0.42180 0.06020  0.00270  0.01430  86  GLN A C   
630  O  O   . GLN A 88 ? 0.47250 0.55990 0.47220 0.05640  0.00160  0.01580  86  GLN A O   
631  C  CB  . GLN A 88 ? 0.36070 0.42540 0.33040 0.08170  0.00360  0.01420  86  GLN A CB  
632  C  CG  . GLN A 88 ? 0.33660 0.38090 0.28910 0.09160  0.00360  0.01180  86  GLN A CG  
633  C  CD  . GLN A 88 ? 0.37040 0.42390 0.31590 0.10580  0.00500  0.01440  86  GLN A CD  
634  O  OE1 . GLN A 88 ? 0.35760 0.42240 0.30300 0.11260  0.00730  0.01650  86  GLN A OE1 
635  N  NE2 . GLN A 88 ? 0.31690 0.36680 0.25640 0.11090  0.00380  0.01460  86  GLN A NE2 
636  N  N   . GLY A 89 ? 0.51040 0.58330 0.50500 0.05690  0.00400  0.01480  87  GLY A N   
637  C  CA  . GLY A 89 ? 0.51830 0.60740 0.52570 0.05000  0.00490  0.01830  87  GLY A CA  
638  C  C   . GLY A 89 ? 0.58760 0.68600 0.60650 0.04000  0.00300  0.01880  87  GLY A C   
639  O  O   . GLY A 89 ? 0.62760 0.74370 0.65660 0.03590  0.00360  0.02270  87  GLY A O   
640  O  OXT . GLY A 89 ? 0.50030 0.58910 0.51830 0.03560  0.00080  0.01540  87  GLY A OXT 
641  N  N   . GLY B 1  ? 0.51220 0.67760 0.53860 -0.05780 -0.07700 -0.02580 -1  GLY B N   
642  C  CA  . GLY B 1  ? 0.43730 0.62120 0.47630 -0.06300 -0.07570 -0.02320 -1  GLY B CA  
643  C  C   . GLY B 1  ? 0.43280 0.61620 0.47930 -0.05490 -0.06810 -0.01950 -1  GLY B C   
644  O  O   . GLY B 1  ? 0.35540 0.51970 0.39670 -0.04840 -0.06390 -0.01960 -1  GLY B O   
645  N  N   . SER B 2  ? 0.42210 0.62730 0.48070 -0.05530 -0.06650 -0.01640 0   SER B N   
646  C  CA  . SER B 2  ? 0.39900 0.60370 0.46400 -0.04810 -0.05960 -0.01360 0   SER B CA  
647  C  C   . SER B 2  ? 0.33240 0.53240 0.39640 -0.03320 -0.05610 -0.01160 0   SER B C   
648  O  O   . SER B 2  ? 0.32570 0.51200 0.38890 -0.02740 -0.05080 -0.01080 0   SER B O   
649  C  CB  . SER B 2  ? 0.42830 0.65950 0.50580 -0.05040 -0.05870 -0.01070 0   SER B CB  
650  O  OG  . SER B 2  ? 0.49340 0.72360 0.57590 -0.04280 -0.05210 -0.00850 0   SER B OG  
651  N  N   . ALA B 3  ? 0.27830 0.48940 0.34190 -0.02720 -0.05920 -0.01050 1   ALA B N   
652  C  CA  . ALA B 3  ? 0.27530 0.48080 0.33710 -0.01350 -0.05600 -0.00790 1   ALA B CA  
653  C  C   . ALA B 3  ? 0.28790 0.46630 0.33930 -0.01200 -0.05410 -0.00960 1   ALA B C   
654  O  O   . ALA B 3  ? 0.28580 0.45200 0.33710 -0.00530 -0.04890 -0.00800 1   ALA B O   
655  C  CB  . ALA B 3  ? 0.30250 0.52450 0.36440 -0.00800 -0.06020 -0.00630 1   ALA B CB  
656  N  N   . ASP B 4  ? 0.28440 0.45350 0.32680 -0.01820 -0.05830 -0.01290 2   ASP B N   
657  C  CA  . ASP B 4  ? 0.27780 0.42350 0.31010 -0.01590 -0.05660 -0.01430 2   ASP B CA  
658  C  C   . ASP B 4  ? 0.29100 0.42060 0.32320 -0.01900 -0.05220 -0.01520 2   ASP B C   
659  O  O   . ASP B 4  ? 0.20140 0.31600 0.22990 -0.01330 -0.04830 -0.01440 2   ASP B O   
660  C  CB  . ASP B 4  ? 0.28790 0.42690 0.30970 -0.02200 -0.06220 -0.01840 2   ASP B CB  
661  C  CG  . ASP B 4  ? 0.40550 0.55820 0.42530 -0.01760 -0.06660 -0.01770 2   ASP B CG  
662  O  OD1 . ASP B 4  ? 0.40580 0.56840 0.43030 -0.00780 -0.06450 -0.01340 2   ASP B OD1 
663  O  OD2 . ASP B 4  ? 0.45490 0.60750 0.46750 -0.02390 -0.07240 -0.02140 2   ASP B OD2 
664  N  N   . LEU B 5  ? 0.25260 0.38560 0.28850 -0.02820 -0.05270 -0.01670 3   LEU B N   
665  C  CA  . LEU B 5  ? 0.27370 0.39160 0.30870 -0.03100 -0.04870 -0.01740 3   LEU B CA  
666  C  C   . LEU B 5  ? 0.25980 0.38020 0.30220 -0.02320 -0.04300 -0.01440 3   LEU B C   
667  O  O   . LEU B 5  ? 0.25550 0.36070 0.29530 -0.02080 -0.03920 -0.01450 3   LEU B O   
668  C  CB  . LEU B 5  ? 0.28900 0.40930 0.32530 -0.04310 -0.05080 -0.01920 3   LEU B CB  
669  C  CG  . LEU B 5  ? 0.27780 0.38690 0.30400 -0.05220 -0.05600 -0.02310 3   LEU B CG  
670  C  CD1 . LEU B 5  ? 0.37730 0.48940 0.40570 -0.06470 -0.05780 -0.02390 3   LEU B CD1 
671  C  CD2 . LEU B 5  ? 0.30450 0.38920 0.31970 -0.04910 -0.05430 -0.02500 3   LEU B CD2 
672  N  N   . ALA B 6  ? 0.25090 0.39060 0.30200 -0.01920 -0.04260 -0.01190 4   ALA B N   
673  C  CA  . ALA B 6  ? 0.29020 0.43110 0.34680 -0.01060 -0.03750 -0.00950 4   ALA B CA  
674  C  C   . ALA B 6  ? 0.22420 0.35110 0.27610 -0.00160 -0.03510 -0.00810 4   ALA B C   
675  O  O   . ALA B 6  ? 0.22430 0.33850 0.27560 0.00150  -0.03110 -0.00780 4   ALA B O   
676  C  CB  . ALA B 6  ? 0.30920 0.47360 0.37480 -0.00620 -0.03770 -0.00700 4   ALA B CB  
677  N  N   . HIS B 7  ? 0.23230 0.36180 0.28060 0.00240  -0.03780 -0.00700 5   HIS B N   
678  C  CA  . HIS B 7  ? 0.23790 0.35450 0.28140 0.01020  -0.03560 -0.00490 5   HIS B CA  
679  C  C   . HIS B 7  ? 0.20000 0.29700 0.23650 0.00650  -0.03430 -0.00690 5   HIS B C   
680  O  O   . HIS B 7  ? 0.19000 0.27510 0.22540 0.01090  -0.03060 -0.00540 5   HIS B O   
681  C  CB  . HIS B 7  ? 0.22770 0.35180 0.26790 0.01480  -0.03890 -0.00320 5   HIS B CB  
682  C  CG  . HIS B 7  ? 0.24720 0.35930 0.28250 0.02270  -0.03640 -0.00020 5   HIS B CG  
683  N  ND1 . HIS B 7  ? 0.32690 0.43280 0.36500 0.02970  -0.03200 0.00300  5   HIS B ND1 
684  C  CD2 . HIS B 7  ? 0.22240 0.32740 0.24990 0.02420  -0.03760 0.00030  5   HIS B CD2 
685  C  CE1 . HIS B 7  ? 0.31070 0.40650 0.34340 0.03450  -0.03070 0.00580  5   HIS B CE1 
686  N  NE2 . HIS B 7  ? 0.27390 0.36980 0.30030 0.03160  -0.03380 0.00440  5   HIS B NE2 
687  N  N   . GLY B 8  ? 0.22300 0.31650 0.25450 -0.00160 -0.03750 -0.01030 6   GLY B N   
688  C  CA  . GLY B 8  ? 0.16630 0.24180 0.19070 -0.00430 -0.03630 -0.01220 6   GLY B CA  
689  C  C   . GLY B 8  ? 0.17630 0.24360 0.20390 -0.00530 -0.03210 -0.01230 6   GLY B C   
690  O  O   . GLY B 8  ? 0.16320 0.21750 0.18740 -0.00320 -0.02940 -0.01200 6   GLY B O   
691  N  N   . GLY B 9  ? 0.16890 0.24500 0.20320 -0.00860 -0.03140 -0.01260 7   GLY B N   
692  C  CA  . GLY B 9  ? 0.17060 0.24000 0.20760 -0.00890 -0.02750 -0.01270 7   GLY B CA  
693  C  C   . GLY B 9  ? 0.20110 0.26690 0.24080 -0.00060 -0.02380 -0.01030 7   GLY B C   
694  O  O   . GLY B 9  ? 0.22030 0.27520 0.25920 -0.00020 -0.02090 -0.01060 7   GLY B O   
695  N  N   . GLN B 10 ? 0.15810 0.23250 0.20060 0.00600  -0.02400 -0.00780 8   GLN B N   
696  C  CA  . GLN B 10 ? 0.25770 0.32620 0.30140 0.01390  -0.02080 -0.00530 8   GLN B CA  
697  C  C   . GLN B 10 ? 0.21810 0.27320 0.25580 0.01560  -0.02010 -0.00390 8   GLN B C   
698  O  O   . GLN B 10 ? 0.23540 0.28000 0.27290 0.01780  -0.01720 -0.00290 8   GLN B O   
699  C  CB  . GLN B 10 ? 0.26860 0.34940 0.31600 0.02110  -0.02140 -0.00250 8   GLN B CB  
700  C  CG  . GLN B 10 ? 0.34850 0.44410 0.40270 0.02140  -0.02110 -0.00320 8   GLN B CG  
701  C  CD  . GLN B 10 ? 0.48080 0.57000 0.53720 0.02370  -0.01710 -0.00390 8   GLN B CD  
702  O  OE1 . GLN B 10 ? 0.57640 0.65990 0.63280 0.03140  -0.01480 -0.00220 8   GLN B OE1 
703  N  NE2 . GLN B 10 ? 0.51610 0.60550 0.57380 0.01700  -0.01650 -0.00650 8   GLN B NE2 
704  N  N   . VAL B 11 ? 0.19870 0.25490 0.23160 0.01470  -0.02290 -0.00380 9   VAL B N   
705  C  CA  . VAL B 11 ? 0.19610 0.24110 0.22300 0.01590  -0.02200 -0.00270 9   VAL B CA  
706  C  C   . VAL B 11 ? 0.16820 0.20220 0.19320 0.01130  -0.02030 -0.00490 9   VAL B C   
707  O  O   . VAL B 11 ? 0.16940 0.19430 0.19320 0.01300  -0.01770 -0.00330 9   VAL B O   
708  C  CB  . VAL B 11 ? 0.15260 0.20130 0.17340 0.01560  -0.02550 -0.00310 9   VAL B CB  
709  C  CG1 . VAL B 11 ? 0.18050 0.21900 0.19470 0.01740  -0.02430 -0.00190 9   VAL B CG1 
710  C  CG2 . VAL B 11 ? 0.19190 0.25240 0.21440 0.02110  -0.02720 -0.00030 9   VAL B CG2 
711  N  N   . PHE B 12 ? 0.15850 0.19370 0.18330 0.00510  -0.02180 -0.00830 10  PHE B N   
712  C  CA  . PHE B 12 ? 0.13310 0.15790 0.15520 0.00110  -0.02050 -0.01030 10  PHE B CA  
713  C  C   . PHE B 12 ? 0.16440 0.18510 0.19120 0.00250  -0.01690 -0.00950 10  PHE B C   
714  O  O   . PHE B 12 ? 0.20210 0.21400 0.22700 0.00270  -0.01510 -0.00920 10  PHE B O   
715  C  CB  . PHE B 12 ? 0.15430 0.18060 0.17490 -0.00600 -0.02280 -0.01360 10  PHE B CB  
716  C  CG  . PHE B 12 ? 0.16380 0.17860 0.17990 -0.00950 -0.02180 -0.01540 10  PHE B CG  
717  C  CD1 . PHE B 12 ? 0.17490 0.18140 0.18260 -0.01020 -0.02330 -0.01670 10  PHE B CD1 
718  C  CD2 . PHE B 12 ? 0.18060 0.19340 0.20030 -0.01130 -0.01940 -0.01570 10  PHE B CD2 
719  C  CE1 . PHE B 12 ? 0.16800 0.16410 0.17120 -0.01220 -0.02240 -0.01810 10  PHE B CE1 
720  C  CE2 . PHE B 12 ? 0.18330 0.18630 0.19870 -0.01380 -0.01860 -0.01700 10  PHE B CE2 
721  C  CZ  . PHE B 12 ? 0.18350 0.17800 0.19070 -0.01420 -0.02000 -0.01810 10  PHE B CZ  
722  N  N   . SER B 13 ? 0.17380 0.20140 0.20640 0.00380  -0.01610 -0.00930 11  SER B N   
723  C  CA  A SER B 13 ? 0.22680 0.24970 0.26270 0.00530  -0.01310 -0.00930 11  SER B CA  
724  C  CA  B SER B 13 ? 0.21900 0.24190 0.25490 0.00530  -0.01310 -0.00930 11  SER B CA  
725  C  C   . SER B 13 ? 0.24470 0.25990 0.27990 0.01000  -0.01130 -0.00660 11  SER B C   
726  O  O   . SER B 13 ? 0.25970 0.26660 0.29480 0.00920  -0.00940 -0.00680 11  SER B O   
727  C  CB  A SER B 13 ? 0.25310 0.28550 0.29440 0.00720  -0.01250 -0.00970 11  SER B CB  
728  C  CB  B SER B 13 ? 0.25130 0.28380 0.29260 0.00710  -0.01250 -0.00970 11  SER B CB  
729  O  OG  A SER B 13 ? 0.29330 0.32010 0.33630 0.00850  -0.00980 -0.01050 11  SER B OG  
730  O  OG  B SER B 13 ? 0.29100 0.32950 0.33420 0.01320  -0.01290 -0.00730 11  SER B OG  
731  N  N   . ALA B 14 ? 0.20430 0.22240 0.23890 0.01450  -0.01200 -0.00370 12  ALA B N   
732  C  CA  . ALA B 14 ? 0.24940 0.26040 0.28350 0.01870  -0.01020 -0.00010 12  ALA B CA  
733  C  C   . ALA B 14 ? 0.23160 0.23600 0.26170 0.01690  -0.00970 0.00130  12  ALA B C   
734  O  O   . ALA B 14 ? 0.26650 0.26390 0.29680 0.01790  -0.00780 0.00380  12  ALA B O   
735  C  CB  . ALA B 14 ? 0.24670 0.26360 0.28110 0.02460  -0.01100 0.00310  12  ALA B CB  
736  N  N   . ASN B 15 ? 0.19790 0.20460 0.22400 0.01430  -0.01150 -0.00030 13  ASN B N   
737  C  CA  . ASN B 15 ? 0.17370 0.17640 0.19530 0.01450  -0.01100 0.00130  13  ASN B CA  
738  C  C   . ASN B 15 ? 0.17210 0.17080 0.19050 0.01060  -0.01120 -0.00160 13  ASN B C   
739  O  O   . ASN B 15 ? 0.18260 0.17790 0.19830 0.01130  -0.00990 -0.00000 13  ASN B O   
740  C  CB  . ASN B 15 ? 0.16800 0.17600 0.18520 0.01750  -0.01300 0.00280  13  ASN B CB  
741  C  CG  . ASN B 15 ? 0.19860 0.21010 0.21790 0.02250  -0.01260 0.00680  13  ASN B CG  
742  O  OD1 . ASN B 15 ? 0.22940 0.23690 0.24850 0.02520  -0.01050 0.01100  13  ASN B OD1 
743  N  ND2 . ASN B 15 ? 0.23710 0.25640 0.25850 0.02380  -0.01460 0.00580  13  ASN B ND2 
744  N  N   . CYS B 16 ? 0.17320 0.17270 0.19170 0.00680  -0.01250 -0.00530 14  CYS B N   
745  C  CA  . CYS B 16 ? 0.14070 0.13550 0.15430 0.00370  -0.01320 -0.00790 14  CYS B CA  
746  C  C   . CYS B 16 ? 0.16410 0.15560 0.18020 0.00020  -0.01200 -0.00990 14  CYS B C   
747  O  O   . CYS B 16 ? 0.17270 0.15910 0.18550 -0.00100 -0.01150 -0.01080 14  CYS B O   
748  C  CB  . CYS B 16 ? 0.14470 0.14150 0.15330 0.00140  -0.01650 -0.01060 14  CYS B CB  
749  S  SG  . CYS B 16 ? 0.15100 0.15440 0.15670 0.00510  -0.01880 -0.00920 14  CYS B SG  
750  N  N   . ALA B 17 ? 0.16720 0.16230 0.18870 -0.00060 -0.01160 -0.01050 15  ALA B N   
751  C  CA  . ALA B 17 ? 0.16560 0.15870 0.18890 -0.00380 -0.01060 -0.01250 15  ALA B CA  
752  C  C   . ALA B 17 ? 0.17400 0.16130 0.19790 -0.00340 -0.00860 -0.01190 15  ALA B C   
753  O  O   . ALA B 17 ? 0.20860 0.19330 0.23190 -0.00590 -0.00810 -0.01360 15  ALA B O   
754  C  CB  . ALA B 17 ? 0.20170 0.20100 0.23040 -0.00350 -0.01020 -0.01310 15  ALA B CB  
755  N  N   . ALA B 18 ? 0.15150 0.13730 0.17640 -0.00060 -0.00750 -0.00920 16  ALA B N   
756  C  CA  . ALA B 18 ? 0.20690 0.18850 0.23290 -0.00130 -0.00600 -0.00850 16  ALA B CA  
757  C  C   . ALA B 18 ? 0.20670 0.18650 0.22840 -0.00250 -0.00620 -0.00920 16  ALA B C   
758  O  O   . ALA B 18 ? 0.21220 0.19020 0.23480 -0.00390 -0.00540 -0.00970 16  ALA B O   
759  C  CB  . ALA B 18 ? 0.26440 0.24520 0.29220 0.00100  -0.00490 -0.00470 16  ALA B CB  
760  N  N   . CYS B 19 ? 0.16640 0.14630 0.18280 -0.00160 -0.00750 -0.00950 17  CYS B N   
761  C  CA  . CYS B 19 ? 0.13150 0.10820 0.14230 -0.00170 -0.00780 -0.01050 17  CYS B CA  
762  C  C   . CYS B 19 ? 0.13920 0.11280 0.14510 -0.00410 -0.00960 -0.01340 17  CYS B C   
763  O  O   . CYS B 19 ? 0.16340 0.13240 0.16460 -0.00450 -0.00980 -0.01450 17  CYS B O   
764  C  CB  . CYS B 19 ? 0.16920 0.14650 0.17580 0.00210  -0.00750 -0.00830 17  CYS B CB  
765  S  SG  . CYS B 19 ? 0.17150 0.15290 0.18370 0.00390  -0.00520 -0.00380 17  CYS B SG  
766  N  N   . HIS B 20 ? 0.14600 0.12220 0.15290 -0.00590 -0.01110 -0.01440 18  HIS B N   
767  C  CA  . HIS B 20 ? 0.15030 0.12370 0.15200 -0.00910 -0.01340 -0.01680 18  HIS B CA  
768  C  C   . HIS B 20 ? 0.15290 0.13060 0.15920 -0.01330 -0.01370 -0.01780 18  HIS B C   
769  O  O   . HIS B 20 ? 0.17590 0.15460 0.18010 -0.01680 -0.01580 -0.01910 18  HIS B O   
770  C  CB  . HIS B 20 ? 0.13470 0.10870 0.13180 -0.00810 -0.01570 -0.01720 18  HIS B CB  
771  C  CG  . HIS B 20 ? 0.15110 0.12090 0.14150 -0.00370 -0.01560 -0.01660 18  HIS B CG  
772  N  ND1 . HIS B 20 ? 0.16740 0.12910 0.15030 -0.00280 -0.01570 -0.01780 18  HIS B ND1 
773  C  CD2 . HIS B 20 ? 0.16720 0.14020 0.15660 0.00050  -0.01550 -0.01480 18  HIS B CD2 
774  C  CE1 . HIS B 20 ? 0.19870 0.15960 0.17640 0.00220  -0.01550 -0.01690 18  HIS B CE1 
775  N  NE2 . HIS B 20 ? 0.15900 0.12700 0.14080 0.00400  -0.01520 -0.01500 18  HIS B NE2 
776  N  N   . LEU B 21 ? 0.15760 0.13840 0.17000 -0.01310 -0.01160 -0.01740 19  LEU B N   
777  C  CA  . LEU B 21 ? 0.13540 0.12170 0.15190 -0.01610 -0.01140 -0.01820 19  LEU B CA  
778  C  C   . LEU B 21 ? 0.13860 0.12210 0.15070 -0.02130 -0.01270 -0.01950 19  LEU B C   
779  O  O   . LEU B 21 ? 0.16450 0.14030 0.17150 -0.02210 -0.01250 -0.01980 19  LEU B O   
780  C  CB  . LEU B 21 ? 0.16120 0.14820 0.18220 -0.01490 -0.00910 -0.01830 19  LEU B CB  
781  C  CG  . LEU B 21 ? 0.14570 0.13980 0.17080 -0.01660 -0.00840 -0.01910 19  LEU B CG  
782  C  CD1 . LEU B 21 ? 0.18210 0.18400 0.21180 -0.01400 -0.00870 -0.01840 19  LEU B CD1 
783  C  CD2 . LEU B 21 ? 0.17670 0.16950 0.20360 -0.01560 -0.00630 -0.02000 19  LEU B CD2 
784  N  N   . GLY B 22 ? 0.16900 0.15910 0.18300 -0.02480 -0.01410 -0.01980 20  GLY B N   
785  C  CA  . GLY B 22 ? 0.17980 0.16750 0.19000 -0.03110 -0.01540 -0.02040 20  GLY B CA  
786  C  C   . GLY B 22 ? 0.23690 0.21290 0.23760 -0.03270 -0.01760 -0.02130 20  GLY B C   
787  O  O   . GLY B 22 ? 0.23510 0.20420 0.23060 -0.03710 -0.01820 -0.02160 20  GLY B O   
788  N  N   . GLY B 23 ? 0.17650 0.14950 0.17390 -0.02880 -0.01880 -0.02160 21  GLY B N   
789  C  CA  . GLY B 23 ? 0.18360 0.14500 0.17080 -0.02890 -0.02090 -0.02290 21  GLY B CA  
790  C  C   . GLY B 23 ? 0.19080 0.14320 0.17300 -0.02450 -0.01910 -0.02270 21  GLY B C   
791  O  O   . GLY B 23 ? 0.21840 0.16020 0.19100 -0.02340 -0.02060 -0.02380 21  GLY B O   
792  N  N   . ARG B 24 ? 0.15860 0.11500 0.14660 -0.02160 -0.01630 -0.02130 22  ARG B N   
793  C  CA  . ARG B 24 ? 0.15300 0.10380 0.13760 -0.01750 -0.01470 -0.02070 22  ARG B CA  
794  C  C   . ARG B 24 ? 0.18300 0.13310 0.16470 -0.01190 -0.01480 -0.02020 22  ARG B C   
795  O  O   . ARG B 24 ? 0.17320 0.12670 0.15540 -0.01100 -0.01590 -0.02020 22  ARG B O   
796  C  CB  . ARG B 24 ? 0.18130 0.13810 0.17350 -0.01660 -0.01220 -0.01960 22  ARG B CB  
797  C  CG  . ARG B 24 ? 0.19650 0.15440 0.19070 -0.02080 -0.01150 -0.01990 22  ARG B CG  
798  C  CD  . ARG B 24 ? 0.16750 0.13140 0.16880 -0.01900 -0.00940 -0.01950 22  ARG B CD  
799  N  NE  . ARG B 24 ? 0.19100 0.15690 0.19390 -0.02190 -0.00840 -0.01990 22  ARG B NE  
800  C  CZ  . ARG B 24 ? 0.21920 0.19150 0.22630 -0.02460 -0.00800 -0.02030 22  ARG B CZ  
801  N  NH1 . ARG B 24 ? 0.20670 0.18420 0.21710 -0.02510 -0.00890 -0.02020 22  ARG B NH1 
802  N  NH2 . ARG B 24 ? 0.17270 0.14750 0.18080 -0.02630 -0.00670 -0.02050 22  ARG B NH2 
803  N  N   . ASN B 25 ? 0.18380 0.13080 0.16270 -0.00780 -0.01340 -0.01930 23  ASN B N   
804  C  CA  . ASN B 25 ? 0.15710 0.10800 0.13700 -0.00240 -0.01210 -0.01760 23  ASN B CA  
805  C  C   . ASN B 25 ? 0.17730 0.13110 0.16090 -0.00080 -0.00990 -0.01610 23  ASN B C   
806  O  O   . ASN B 25 ? 0.20850 0.15770 0.18640 0.00170  -0.00970 -0.01620 23  ASN B O   
807  C  CB  . ASN B 25 ? 0.18230 0.12710 0.15210 0.00200  -0.01320 -0.01840 23  ASN B CB  
808  C  CG  . ASN B 25 ? 0.18700 0.13830 0.15850 0.00750  -0.01150 -0.01600 23  ASN B CG  
809  O  OD1 . ASN B 25 ? 0.19430 0.15300 0.17360 0.00800  -0.00940 -0.01350 23  ASN B OD1 
810  N  ND2 . ASN B 25 ? 0.19330 0.14220 0.15730 0.01130  -0.01260 -0.01670 23  ASN B ND2 
811  N  N   . VAL B 26 ? 0.16460 0.12560 0.15730 -0.00200 -0.00860 -0.01480 24  VAL B N   
812  C  CA  . VAL B 26 ? 0.17770 0.14170 0.17420 -0.00180 -0.00710 -0.01380 24  VAL B CA  
813  C  C   . VAL B 26 ? 0.19430 0.16190 0.19000 0.00270  -0.00600 -0.01150 24  VAL B C   
814  O  O   . VAL B 26 ? 0.18780 0.15770 0.18400 0.00370  -0.00530 -0.01070 24  VAL B O   
815  C  CB  . VAL B 26 ? 0.18320 0.15210 0.18850 -0.00470 -0.00630 -0.01360 24  VAL B CB  
816  C  CG1 . VAL B 26 ? 0.18030 0.14790 0.18660 -0.00820 -0.00710 -0.01560 24  VAL B CG1 
817  C  CG2 . VAL B 26 ? 0.20300 0.17610 0.21290 -0.00340 -0.00570 -0.01140 24  VAL B CG2 
818  N  N   . VAL B 27 ? 0.18470 0.15410 0.17900 0.00560  -0.00590 -0.01010 25  VAL B N   
819  C  CA  . VAL B 27 ? 0.17370 0.14870 0.16760 0.01000  -0.00440 -0.00730 25  VAL B CA  
820  C  C   . VAL B 27 ? 0.18460 0.15510 0.16880 0.01510  -0.00470 -0.00820 25  VAL B C   
821  O  O   . VAL B 27 ? 0.21520 0.18980 0.19880 0.01830  -0.00360 -0.00670 25  VAL B O   
822  C  CB  . VAL B 27 ? 0.16980 0.14910 0.16560 0.01150  -0.00370 -0.00490 25  VAL B CB  
823  C  CG1 . VAL B 27 ? 0.18330 0.16960 0.17810 0.01630  -0.00190 -0.00160 25  VAL B CG1 
824  C  CG2 . VAL B 27 ? 0.18670 0.16910 0.19160 0.00730  -0.00330 -0.00360 25  VAL B CG2 
825  N  N   . ASN B 28 ? 0.18610 0.14800 0.16180 0.01610  -0.00630 -0.01060 26  ASN B N   
826  C  CA  . ASN B 28 ? 0.19000 0.14400 0.15420 0.02120  -0.00700 -0.01210 26  ASN B CA  
827  C  C   . ASN B 28 ? 0.22620 0.16840 0.18470 0.01730  -0.00920 -0.01530 26  ASN B C   
828  O  O   . ASN B 28 ? 0.21240 0.14800 0.16610 0.01510  -0.01130 -0.01750 26  ASN B O   
829  C  CB  . ASN B 28 ? 0.22290 0.17610 0.18010 0.02640  -0.00720 -0.01220 26  ASN B CB  
830  C  CG  . ASN B 28 ? 0.37000 0.31470 0.31450 0.03310  -0.00760 -0.01380 26  ASN B CG  
831  O  OD1 . ASN B 28 ? 0.34420 0.27990 0.28340 0.03290  -0.00850 -0.01540 26  ASN B OD1 
832  N  ND2 . ASN B 28 ? 0.33910 0.28610 0.27760 0.03980  -0.00690 -0.01330 26  ASN B ND2 
833  N  N   . PRO B 29 ? 0.22680 0.16660 0.18570 0.01580  -0.00900 -0.01530 27  PRO B N   
834  C  CA  . PRO B 29 ? 0.22000 0.14970 0.17470 0.01070  -0.01070 -0.01740 27  PRO B CA  
835  C  C   . PRO B 29 ? 0.25460 0.16980 0.19580 0.01260  -0.01280 -0.01960 27  PRO B C   
836  O  O   . PRO B 29 ? 0.28270 0.18900 0.22010 0.00720  -0.01450 -0.02110 27  PRO B O   
837  C  CB  . PRO B 29 ? 0.25310 0.18450 0.21030 0.01030  -0.00960 -0.01630 27  PRO B CB  
838  C  CG  . PRO B 29 ? 0.25850 0.20320 0.22470 0.01260  -0.00770 -0.01400 27  PRO B CG  
839  C  CD  . PRO B 29 ? 0.23050 0.17830 0.19450 0.01780  -0.00720 -0.01300 27  PRO B CD  
840  N  N   . ALA B 30 ? 0.27360 0.18580 0.20680 0.01980  -0.01270 -0.01990 28  ALA B N   
841  C  CA  . ALA B 30 ? 0.29770 0.19390 0.21650 0.02180  -0.01500 -0.02270 28  ALA B CA  
842  C  C   . ALA B 30 ? 0.31740 0.21140 0.23470 0.01790  -0.01740 -0.02510 28  ALA B C   
843  O  O   . ALA B 30 ? 0.35740 0.23720 0.26310 0.01690  -0.02010 -0.02800 28  ALA B O   
844  C  CB  . ALA B 30 ? 0.32070 0.21410 0.23010 0.03230  -0.01390 -0.02250 28  ALA B CB  
845  N  N   . LYS B 31 ? 0.26710 0.17430 0.19500 0.01580  -0.01660 -0.02380 29  LYS B N   
846  C  CA  . LYS B 31 ? 0.24750 0.15510 0.17360 0.01400  -0.01880 -0.02560 29  LYS B CA  
847  C  C   . LYS B 31 ? 0.22290 0.13840 0.16010 0.00600  -0.01940 -0.02520 29  LYS B C   
848  O  O   . LYS B 31 ? 0.23310 0.15990 0.17850 0.00610  -0.01860 -0.02360 29  LYS B O   
849  C  CB  . LYS B 31 ? 0.27570 0.19170 0.20200 0.02130  -0.01710 -0.02410 29  LYS B CB  
850  C  CG  . LYS B 31 ? 0.31670 0.22540 0.23090 0.03020  -0.01640 -0.02480 29  LYS B CG  
851  C  CD  . LYS B 31 ? 0.40070 0.31770 0.31320 0.03750  -0.01490 -0.02350 29  LYS B CD  
852  C  CE  . LYS B 31 ? 0.47900 0.38760 0.37730 0.04720  -0.01450 -0.02500 29  LYS B CE  
853  N  NZ  . LYS B 31 ? 0.54760 0.46420 0.44250 0.05470  -0.01310 -0.02400 29  LYS B NZ  
854  N  N   . THR B 32 ? 0.23280 0.14240 0.16960 -0.00070 -0.02080 -0.02620 30  THR B N   
855  C  CA  . THR B 32 ? 0.23230 0.15030 0.17930 -0.00780 -0.02120 -0.02570 30  THR B CA  
856  C  C   . THR B 32 ? 0.21300 0.13140 0.15800 -0.01170 -0.02450 -0.02770 30  THR B C   
857  O  O   . THR B 32 ? 0.25040 0.16130 0.18550 -0.00940 -0.02680 -0.03000 30  THR B O   
858  C  CB  . THR B 32 ? 0.24790 0.16160 0.19570 -0.01330 -0.02100 -0.02550 30  THR B CB  
859  O  OG1 . THR B 32 ? 0.25910 0.15990 0.19670 -0.01780 -0.02420 -0.02770 30  THR B OG1 
860  C  CG2 . THR B 32 ? 0.26720 0.17850 0.21400 -0.00890 -0.01850 -0.02390 30  THR B CG2 
861  N  N   . LEU B 33 ? 0.21990 0.14790 0.17420 -0.01730 -0.02490 -0.02710 31  LEU B N   
862  C  CA  . LEU B 33 ? 0.19220 0.12300 0.14570 -0.02190 -0.02830 -0.02880 31  LEU B CA  
863  C  C   . LEU B 33 ? 0.26930 0.19320 0.21900 -0.03050 -0.03090 -0.03030 31  LEU B C   
864  O  O   . LEU B 33 ? 0.28660 0.21570 0.23810 -0.03630 -0.03390 -0.03130 31  LEU B O   
865  C  CB  . LEU B 33 ? 0.17740 0.12440 0.14320 -0.02210 -0.02730 -0.02690 31  LEU B CB  
866  C  CG  . LEU B 33 ? 0.16790 0.12140 0.13830 -0.01470 -0.02450 -0.02460 31  LEU B CG  
867  C  CD1 . LEU B 33 ? 0.17030 0.13730 0.15040 -0.01480 -0.02440 -0.02290 31  LEU B CD1 
868  C  CD2 . LEU B 33 ? 0.21220 0.16000 0.17330 -0.00890 -0.02530 -0.02540 31  LEU B CD2 
869  N  N   . GLN B 34 ? 0.25740 0.17040 0.20200 -0.03160 -0.03000 -0.03010 32  GLN B N   
870  C  CA  . GLN B 34 ? 0.31780 0.22180 0.25710 -0.04010 -0.03250 -0.03100 32  GLN B CA  
871  C  C   . GLN B 34 ? 0.33060 0.22030 0.25640 -0.04170 -0.03680 -0.03450 32  GLN B C   
872  O  O   . GLN B 34 ? 0.30150 0.18400 0.21910 -0.03440 -0.03720 -0.03620 32  GLN B O   
873  C  CB  . GLN B 34 ? 0.30730 0.20220 0.24330 -0.03990 -0.03020 -0.02940 32  GLN B CB  
874  C  CG  . GLN B 34 ? 0.33740 0.24500 0.28510 -0.03790 -0.02620 -0.02670 32  GLN B CG  
875  C  CD  . GLN B 34 ? 0.46160 0.36070 0.40510 -0.03640 -0.02410 -0.02520 32  GLN B CD  
876  O  OE1 . GLN B 34 ? 0.60430 0.49900 0.54600 -0.04260 -0.02440 -0.02410 32  GLN B OE1 
877  N  NE2 . GLN B 34 ? 0.48170 0.37920 0.42360 -0.02830 -0.02210 -0.02480 32  GLN B NE2 
878  N  N   . LYS B 35 ? 0.33460 0.22020 0.25780 -0.05160 -0.04020 -0.03540 33  LYS B N   
879  C  CA  . LYS B 35 ? 0.37970 0.25170 0.29020 -0.05490 -0.04520 -0.03930 33  LYS B CA  
880  C  C   . LYS B 35 ? 0.38290 0.23440 0.27840 -0.04800 -0.04500 -0.04100 33  LYS B C   
881  O  O   . LYS B 35 ? 0.39220 0.23670 0.27840 -0.04330 -0.04710 -0.04400 33  LYS B O   
882  C  CB  . LYS B 35 ? 0.38580 0.25890 0.29840 -0.06630 -0.04730 -0.03850 33  LYS B CB  
883  C  CG  . LYS B 35 ? 0.49960 0.36290 0.40250 -0.06870 -0.05120 -0.04140 33  LYS B CG  
884  C  CD  . LYS B 35 ? 0.54080 0.40570 0.44680 -0.07950 -0.05260 -0.03970 33  LYS B CD  
885  C  CE  . LYS B 35 ? 0.55180 0.40320 0.44660 -0.08210 -0.05640 -0.04270 33  LYS B CE  
886  N  NZ  . LYS B 35 ? 0.63240 0.49040 0.52620 -0.08140 -0.06020 -0.04650 33  LYS B NZ  
887  N  N   . ALA B 36 ? 0.43000 0.27390 0.32380 -0.04620 -0.04200 -0.03850 34  ALA B N   
888  C  CA  . ALA B 36 ? 0.41180 0.23870 0.29240 -0.03860 -0.04140 -0.03930 34  ALA B CA  
889  C  C   . ALA B 36 ? 0.40270 0.22890 0.27840 -0.02720 -0.04050 -0.04130 34  ALA B C   
890  O  O   . ALA B 36 ? 0.41100 0.22660 0.27520 -0.02100 -0.04150 -0.04350 34  ALA B O   
891  C  CB  . ALA B 36 ? 0.41620 0.23690 0.29620 -0.03800 -0.03840 -0.03590 34  ALA B CB  
892  N  N   . ASP B 37 ? 0.38280 0.22630 0.27110 -0.02330 -0.03710 -0.03880 35  ASP B N   
893  C  CA  . ASP B 37 ? 0.33600 0.18530 0.22390 -0.01230 -0.03480 -0.03870 35  ASP B CA  
894  C  C   . ASP B 37 ? 0.34160 0.19500 0.22690 -0.01090 -0.03740 -0.04130 35  ASP B C   
895  O  O   . ASP B 37 ? 0.35090 0.19820 0.22620 -0.00260 -0.03750 -0.04320 35  ASP B O   
896  C  CB  . ASP B 37 ? 0.30730 0.17470 0.21050 -0.00960 -0.03040 -0.03470 35  ASP B CB  
897  C  CG  . ASP B 37 ? 0.38470 0.24800 0.28770 -0.00690 -0.02760 -0.03240 35  ASP B CG  
898  O  OD1 . ASP B 37 ? 0.41300 0.25930 0.30330 -0.00530 -0.02870 -0.03360 35  ASP B OD1 
899  O  OD2 . ASP B 37 ? 0.32380 0.20030 0.23850 -0.00620 -0.02450 -0.02960 35  ASP B OD2 
900  N  N   . LEU B 38 ? 0.35290 0.21760 0.24690 -0.01810 -0.03920 -0.04140 36  LEU B N   
901  C  CA  . LEU B 38 ? 0.32310 0.19170 0.21380 -0.01690 -0.04220 -0.04390 36  LEU B CA  
902  C  C   . LEU B 38 ? 0.38880 0.23740 0.26120 -0.01700 -0.04650 -0.04890 36  LEU B C   
903  O  O   . LEU B 38 ? 0.38510 0.23110 0.24870 -0.00980 -0.04750 -0.05130 36  LEU B O   
904  C  CB  . LEU B 38 ? 0.32640 0.20970 0.22830 -0.02540 -0.04420 -0.04330 36  LEU B CB  
905  C  CG  . LEU B 38 ? 0.27640 0.17900 0.19540 -0.02460 -0.04030 -0.03890 36  LEU B CG  
906  C  CD1 . LEU B 38 ? 0.35030 0.26640 0.27860 -0.03220 -0.04260 -0.03860 36  LEU B CD1 
907  C  CD2 . LEU B 38 ? 0.30280 0.21340 0.22450 -0.01460 -0.03710 -0.03700 36  LEU B CD2 
908  N  N   . ASP B 39 ? 0.36220 0.19640 0.22840 -0.02490 -0.04910 -0.05030 37  ASP B N   
909  C  CA  . ASP B 39 ? 0.44920 0.26910 0.30300 -0.02450 -0.05130 -0.05270 37  ASP B CA  
910  C  C   . ASP B 39 ? 0.40760 0.21560 0.24970 -0.01240 -0.04910 -0.05330 37  ASP B C   
911  O  O   . ASP B 39 ? 0.45680 0.25800 0.28800 -0.00680 -0.05070 -0.05620 37  ASP B O   
912  C  CB  . ASP B 39 ? 0.46360 0.27630 0.31830 -0.03430 -0.05220 -0.05120 37  ASP B CB  
913  C  CG  . ASP B 39 ? 0.49460 0.31880 0.35840 -0.04610 -0.05520 -0.05140 37  ASP B CG  
914  O  OD1 . ASP B 39 ? 0.50340 0.33930 0.37100 -0.04670 -0.05740 -0.05320 37  ASP B OD1 
915  O  OD2 . ASP B 39 ? 0.49350 0.31560 0.36050 -0.05460 -0.05540 -0.04930 37  ASP B OD2 
916  N  N   . GLN B 40 ? 0.42230 0.22890 0.26650 -0.00780 -0.04530 -0.05030 38  GLN B N   
917  C  CA  . GLN B 40 ? 0.42680 0.22420 0.26080 0.00410  -0.04290 -0.05020 38  GLN B CA  
918  C  C   . GLN B 40 ? 0.43780 0.24160 0.26790 0.01440  -0.04210 -0.05210 38  GLN B C   
919  O  O   . GLN B 40 ? 0.49150 0.28740 0.31010 0.02330  -0.04190 -0.05340 38  GLN B O   
920  C  CB  . GLN B 40 ? 0.47420 0.27310 0.31320 0.00700  -0.03900 -0.04660 38  GLN B CB  
921  C  CG  . GLN B 40 ? 0.47080 0.26580 0.30180 0.02040  -0.03610 -0.04600 38  GLN B CG  
922  C  CD  . GLN B 40 ? 0.55670 0.35480 0.39320 0.02330  -0.03260 -0.04250 38  GLN B CD  
923  O  OE1 . GLN B 40 ? 0.51660 0.31710 0.36140 0.01490  -0.03240 -0.04060 38  GLN B OE1 
924  N  NE2 . GLN B 40 ? 0.50300 0.30220 0.33490 0.03530  -0.02970 -0.04160 38  GLN B NE2 
925  N  N   . TYR B 41 ? 0.40090 0.22140 0.24170 0.01360  -0.04130 -0.05120 39  TYR B N   
926  C  CA  . TYR B 41 ? 0.38930 0.22210 0.23100 0.02300  -0.03910 -0.05040 39  TYR B CA  
927  C  C   . TYR B 41 ? 0.38040 0.21620 0.21840 0.02090  -0.04290 -0.05370 39  TYR B C   
928  O  O   . TYR B 41 ? 0.38910 0.23730 0.22920 0.02770  -0.04120 -0.05250 39  TYR B O   
929  C  CB  . TYR B 41 ? 0.34890 0.20330 0.20890 0.02450  -0.03420 -0.04460 39  TYR B CB  
930  C  CG  . TYR B 41 ? 0.37130 0.22420 0.23400 0.02780  -0.03060 -0.04160 39  TYR B CG  
931  C  CD1 . TYR B 41 ? 0.48410 0.33010 0.33640 0.03860  -0.02870 -0.04180 39  TYR B CD1 
932  C  CD2 . TYR B 41 ? 0.35610 0.21490 0.23130 0.02080  -0.02920 -0.03870 39  TYR B CD2 
933  C  CE1 . TYR B 41 ? 0.44870 0.29470 0.30350 0.04190  -0.02570 -0.03900 39  TYR B CE1 
934  C  CE2 . TYR B 41 ? 0.44000 0.29790 0.31710 0.02390  -0.02630 -0.03620 39  TYR B CE2 
935  C  CZ  . TYR B 41 ? 0.45170 0.30350 0.31890 0.03430  -0.02470 -0.03620 39  TYR B CZ  
936  O  OH  . TYR B 41 ? 0.48140 0.33380 0.35070 0.03760  -0.02210 -0.03350 39  TYR B OH  
937  N  N   . GLY B 42 ? 0.36500 0.18990 0.19700 0.01160  -0.04830 -0.05770 40  GLY B N   
938  C  CA  . GLY B 42 ? 0.39010 0.21840 0.21820 0.00900  -0.05250 -0.06110 40  GLY B CA  
939  C  C   . GLY B 42 ? 0.40440 0.25640 0.24900 0.00650  -0.05140 -0.05750 40  GLY B C   
940  O  O   . GLY B 42 ? 0.41070 0.26990 0.25270 0.00890  -0.05340 -0.05900 40  GLY B O   
941  N  N   . MET B 43 ? 0.34170 0.20580 0.20270 0.00200  -0.04830 -0.05280 41  MET B N   
942  C  CA  . MET B 43 ? 0.31210 0.19770 0.18900 0.00070  -0.04650 -0.04880 41  MET B CA  
943  C  C   . MET B 43 ? 0.32710 0.21940 0.21210 -0.01060 -0.05000 -0.04920 41  MET B C   
944  O  O   . MET B 43 ? 0.32630 0.23580 0.22530 -0.01210 -0.04840 -0.04570 41  MET B O   
945  C  CB  . MET B 43 ? 0.31970 0.21500 0.20920 0.00440  -0.04060 -0.04340 41  MET B CB  
946  C  CG  . MET B 43 ? 0.32690 0.22300 0.21230 0.01580  -0.03660 -0.04160 41  MET B CG  
947  S  SD  . MET B 43 ? 0.39870 0.30930 0.28500 0.02270  -0.03590 -0.03980 41  MET B SD  
948  C  CE  . MET B 43 ? 0.29800 0.22690 0.20390 0.01680  -0.03440 -0.03500 41  MET B CE  
949  N  N   . ALA B 44 ? 0.32750 0.20670 0.20420 -0.01870 -0.05470 -0.05320 42  ALA B N   
950  C  CA  . ALA B 44 ? 0.35710 0.24430 0.24220 -0.03040 -0.05780 -0.05300 42  ALA B CA  
951  C  C   . ALA B 44 ? 0.35970 0.25380 0.24160 -0.03290 -0.06300 -0.05600 42  ALA B C   
952  O  O   . ALA B 44 ? 0.38810 0.27480 0.26310 -0.04150 -0.06860 -0.05990 42  ALA B O   
953  C  CB  . ALA B 44 ? 0.39460 0.26550 0.27370 -0.03940 -0.06010 -0.05480 42  ALA B CB  
954  N  N   . SER B 45 ? 0.35480 0.26310 0.24160 -0.02520 -0.06120 -0.05400 43  SER B N   
955  C  CA  . SER B 45 ? 0.34110 0.25900 0.22600 -0.02630 -0.06570 -0.05610 43  SER B CA  
956  C  C   . SER B 45 ? 0.35140 0.29050 0.24970 -0.02060 -0.06230 -0.05090 43  SER B C   
957  O  O   . SER B 45 ? 0.33600 0.27840 0.24050 -0.01380 -0.05660 -0.04680 43  SER B O   
958  C  CB  . SER B 45 ? 0.39480 0.29990 0.26160 -0.02030 -0.06870 -0.06100 43  SER B CB  
959  O  OG  . SER B 45 ? 0.40520 0.31370 0.27060 -0.00800 -0.06390 -0.05840 43  SER B OG  
960  N  N   . ILE B 46 ? 0.37290 0.32600 0.27510 -0.02350 -0.06600 -0.05120 44  ILE B N   
961  C  CA  . ILE B 46 ? 0.28100 0.25300 0.19450 -0.01760 -0.06310 -0.04620 44  ILE B CA  
962  C  C   . ILE B 46 ? 0.32500 0.29520 0.23200 -0.00610 -0.06000 -0.04470 44  ILE B C   
963  O  O   . ILE B 46 ? 0.31950 0.29750 0.23510 0.00000  -0.05490 -0.03940 44  ILE B O   
964  C  CB  . ILE B 46 ? 0.32410 0.31150 0.24140 -0.02220 -0.06830 -0.04690 44  ILE B CB  
965  C  CG1 . ILE B 46 ? 0.31090 0.30540 0.23860 -0.03300 -0.07000 -0.04660 44  ILE B CG1 
966  C  CG2 . ILE B 46 ? 0.33040 0.33460 0.25560 -0.01400 -0.06570 -0.04200 44  ILE B CG2 
967  C  CD1 . ILE B 46 ? 0.31780 0.32150 0.26040 -0.03140 -0.06430 -0.04120 44  ILE B CD1 
968  N  N   . GLU B 47 ? 0.31070 0.27040 0.20200 -0.00310 -0.06310 -0.04930 45  GLU B N   
969  C  CA  . GLU B 47 ? 0.35160 0.31200 0.23630 0.00810  -0.06020 -0.04760 45  GLU B CA  
970  C  C   . GLU B 47 ? 0.31070 0.26390 0.19630 0.01390  -0.05400 -0.04480 45  GLU B C   
971  O  O   . GLU B 47 ? 0.32300 0.28430 0.21300 0.02150  -0.04930 -0.03980 45  GLU B O   
972  C  CB  . GLU B 47 ? 0.36760 0.31840 0.23390 0.01060  -0.06500 -0.05370 45  GLU B CB  
973  C  CG  . GLU B 47 ? 0.46260 0.42520 0.32790 0.00800  -0.07060 -0.05540 45  GLU B CG  
974  C  CD  . GLU B 47 ? 0.58560 0.56810 0.46210 0.01390  -0.06740 -0.04870 45  GLU B CD  
975  O  OE1 . GLU B 47 ? 0.61200 0.59650 0.48440 0.02370  -0.06370 -0.04570 45  GLU B OE1 
976  O  OE2 . GLU B 47 ? 0.61860 0.61460 0.50770 0.00890  -0.06850 -0.04610 45  GLU B OE2 
977  N  N   . ALA B 48 ? 0.33360 0.27200 0.21490 0.01030  -0.05390 -0.04750 46  ALA B N   
978  C  CA  . ALA B 48 ? 0.30930 0.24210 0.19170 0.01590  -0.04840 -0.04480 46  ALA B CA  
979  C  C   . ALA B 48 ? 0.26190 0.20750 0.16160 0.01530  -0.04360 -0.03850 46  ALA B C   
980  O  O   . ALA B 48 ? 0.29090 0.24140 0.19430 0.02210  -0.03870 -0.03420 46  ALA B O   
981  C  CB  . ALA B 48 ? 0.34560 0.26020 0.22030 0.01170  -0.04970 -0.04870 46  ALA B CB  
982  N  N   . ILE B 49 ? 0.26220 0.21360 0.17240 0.00730  -0.04490 -0.03790 47  ILE B N   
983  C  CA  . ILE B 49 ? 0.26470 0.22690 0.19020 0.00700  -0.04070 -0.03250 47  ILE B CA  
984  C  C   . ILE B 49 ? 0.24750 0.22290 0.17810 0.01290  -0.03890 -0.02820 47  ILE B C   
985  O  O   . ILE B 49 ? 0.23040 0.21040 0.16800 0.01700  -0.03420 -0.02350 47  ILE B O   
986  C  CB  . ILE B 49 ? 0.25980 0.22610 0.19440 -0.00210 -0.04260 -0.03300 47  ILE B CB  
987  C  CG1 . ILE B 49 ? 0.27160 0.22400 0.20110 -0.00800 -0.04370 -0.03630 47  ILE B CG1 
988  C  CG2 . ILE B 49 ? 0.25010 0.22750 0.19940 -0.00140 -0.03840 -0.02810 47  ILE B CG2 
989  C  CD1 . ILE B 49 ? 0.25440 0.21060 0.19030 -0.01780 -0.04620 -0.03710 47  ILE B CD1 
990  N  N   . THR B 50 ? 0.25510 0.23660 0.18180 0.01310  -0.04270 -0.02960 48  THR B N   
991  C  CA  . THR B 50 ? 0.23770 0.23140 0.16820 0.01900  -0.04120 -0.02510 48  THR B CA  
992  C  C   . THR B 50 ? 0.26960 0.26140 0.19480 0.02740  -0.03720 -0.02220 48  THR B C   
993  O  O   . THR B 50 ? 0.24060 0.23990 0.17310 0.03140  -0.03320 -0.01630 48  THR B O   
994  C  CB  . THR B 50 ? 0.26580 0.26590 0.19070 0.01820  -0.04670 -0.02770 48  THR B CB  
995  O  OG1 . THR B 50 ? 0.29510 0.30190 0.22810 0.01060  -0.04980 -0.02870 48  THR B OG1 
996  C  CG2 . THR B 50 ? 0.28490 0.29620 0.21100 0.02560  -0.04510 -0.02280 48  THR B CG2 
997  N  N   . THR B 51 ? 0.28640 0.26820 0.19850 0.03030  -0.03820 -0.02610 49  THR B N   
998  C  CA  . THR B 51 ? 0.28680 0.26870 0.19350 0.03890  -0.03420 -0.02320 49  THR B CA  
999  C  C   . THR B 51 ? 0.26800 0.25020 0.18400 0.03950  -0.02870 -0.01880 49  THR B C   
1000 O  O   . THR B 51 ? 0.28550 0.27520 0.20560 0.04440  -0.02460 -0.01310 49  THR B O   
1001 C  CB  . THR B 51 ? 0.33660 0.30680 0.22660 0.04250  -0.03640 -0.02890 49  THR B CB  
1002 O  OG1 . THR B 51 ? 0.36850 0.34010 0.24900 0.04320  -0.04130 -0.03250 49  THR B OG1 
1003 C  CG2 . THR B 51 ? 0.39770 0.36890 0.28310 0.05170  -0.03150 -0.02580 49  THR B CG2 
1004 N  N   . GLN B 52 ? 0.28010 0.25460 0.19950 0.03420  -0.02880 -0.02110 50  GLN B N   
1005 C  CA  . GLN B 52 ? 0.25580 0.23060 0.18310 0.03470  -0.02420 -0.01740 50  GLN B CA  
1006 C  C   . GLN B 52 ? 0.23100 0.21540 0.17260 0.03240  -0.02170 -0.01220 50  GLN B C   
1007 O  O   . GLN B 52 ? 0.23660 0.22540 0.18390 0.03500  -0.01750 -0.00730 50  GLN B O   
1008 C  CB  . GLN B 52 ? 0.28120 0.24520 0.20730 0.03010  -0.02510 -0.02120 50  GLN B CB  
1009 C  CG  . GLN B 52 ? 0.29230 0.25710 0.22500 0.03150  -0.02050 -0.01780 50  GLN B CG  
1010 C  CD  . GLN B 52 ? 0.28460 0.23790 0.20910 0.03270  -0.02070 -0.02100 50  GLN B CD  
1011 O  OE1 . GLN B 52 ? 0.29480 0.24030 0.20620 0.03690  -0.02240 -0.02440 50  GLN B OE1 
1012 N  NE2 . GLN B 52 ? 0.27920 0.23110 0.21060 0.02950  -0.01890 -0.02000 50  GLN B NE2 
1013 N  N   . VAL B 53 ? 0.22000 0.20800 0.16710 0.02760  -0.02430 -0.01300 51  VAL B N   
1014 C  CA  . VAL B 53 ? 0.17300 0.16930 0.13190 0.02680  -0.02230 -0.00820 51  VAL B CA  
1015 C  C   . VAL B 53 ? 0.21570 0.21930 0.17400 0.03290  -0.02030 -0.00300 51  VAL B C   
1016 O  O   . VAL B 53 ? 0.20740 0.21430 0.17290 0.03420  -0.01670 0.00230  51  VAL B O   
1017 C  CB  . VAL B 53 ? 0.19440 0.19450 0.15830 0.02180  -0.02560 -0.01020 51  VAL B CB  
1018 C  CG1 . VAL B 53 ? 0.19960 0.20730 0.17400 0.02260  -0.02350 -0.00540 51  VAL B CG1 
1019 C  CG2 . VAL B 53 ? 0.16880 0.16240 0.13410 0.01540  -0.02670 -0.01410 51  VAL B CG2 
1020 N  N   . THR B 54 ? 0.21800 0.22370 0.16710 0.03640  -0.02280 -0.00440 52  THR B N   
1021 C  CA  . THR B 54 ? 0.21980 0.23320 0.16760 0.04240  -0.02100 0.00100  52  THR B CA  
1022 C  C   . THR B 54 ? 0.23530 0.24880 0.18240 0.04650  -0.01610 0.00530  52  THR B C   
1023 O  O   . THR B 54 ? 0.22860 0.24730 0.18170 0.04830  -0.01270 0.01180  52  THR B O   
1024 C  CB  . THR B 54 ? 0.21410 0.22980 0.15070 0.04560  -0.02490 -0.00200 52  THR B CB  
1025 O  OG1 . THR B 54 ? 0.26620 0.28430 0.20520 0.04100  -0.02950 -0.00530 52  THR B OG1 
1026 C  CG2 . THR B 54 ? 0.30440 0.32840 0.23890 0.05230  -0.02280 0.00390  52  THR B CG2 
1027 N  N   . ASN B 55 ? 0.23720 0.24500 0.17680 0.04810  -0.01580 0.00190  53  ASN B N   
1028 C  CA  . ASN B 55 ? 0.27800 0.28880 0.21530 0.05330  -0.01160 0.00570  53  ASN B CA  
1029 C  C   . ASN B 55 ? 0.27340 0.28230 0.21850 0.05060  -0.00830 0.00740  53  ASN B C   
1030 O  O   . ASN B 55 ? 0.27320 0.28770 0.21980 0.05380  -0.00430 0.01220  53  ASN B O   
1031 C  CB  . ASN B 55 ? 0.30370 0.31050 0.22650 0.05890  -0.01290 0.00130  53  ASN B CB  
1032 C  CG  . ASN B 55 ? 0.33890 0.34850 0.25210 0.06270  -0.01600 -0.00030 53  ASN B CG  
1033 O  OD1 . ASN B 55 ? 0.35500 0.37250 0.27230 0.06330  -0.01570 0.00420  53  ASN B OD1 
1034 N  ND2 . ASN B 55 ? 0.40970 0.41200 0.30930 0.06530  -0.01920 -0.00680 53  ASN B ND2 
1035 N  N   . GLY B 56 ? 0.26690 0.26930 0.21680 0.04470  -0.01000 0.00380  54  GLY B N   
1036 C  CA  . GLY B 56 ? 0.18620 0.18630 0.14140 0.04260  -0.00760 0.00430  54  GLY B CA  
1037 C  C   . GLY B 56 ? 0.25970 0.25510 0.20510 0.04670  -0.00740 0.00100  54  GLY B C   
1038 O  O   . GLY B 56 ? 0.28750 0.28110 0.22160 0.05190  -0.00880 -0.00140 54  GLY B O   
1039 N  N   . LYS B 57 ? 0.22140 0.21450 0.17050 0.04520  -0.00590 0.00080  55  LYS B N   
1040 C  CA  . LYS B 57 ? 0.26970 0.25890 0.20990 0.05030  -0.00530 -0.00160 55  LYS B CA  
1041 C  C   . LYS B 57 ? 0.26170 0.25300 0.20950 0.04840  -0.00280 0.00040  55  LYS B C   
1042 O  O   . LYS B 57 ? 0.23340 0.22030 0.18750 0.04220  -0.00390 -0.00110 55  LYS B O   
1043 C  CB  . LYS B 57 ? 0.26100 0.23660 0.19020 0.04970  -0.00940 -0.00860 55  LYS B CB  
1044 C  CG  . LYS B 57 ? 0.31530 0.28450 0.23280 0.05670  -0.00890 -0.01130 55  LYS B CG  
1045 C  CD  . LYS B 57 ? 0.33540 0.28830 0.24290 0.05430  -0.01300 -0.01790 55  LYS B CD  
1046 C  CE  . LYS B 57 ? 0.44850 0.39230 0.34200 0.06220  -0.01290 -0.02090 55  LYS B CE  
1047 N  NZ  . LYS B 57 ? 0.57380 0.51870 0.45560 0.07010  -0.01310 -0.02210 55  LYS B NZ  
1048 N  N   . GLY B 58 ? 0.29220 0.29130 0.23950 0.05380  0.00050  0.00390  56  GLY B N   
1049 C  CA  . GLY B 58 ? 0.25740 0.26000 0.21180 0.05200  0.00240  0.00570  56  GLY B CA  
1050 C  C   . GLY B 58 ? 0.24450 0.25180 0.21270 0.04430  0.00320  0.00910  56  GLY B C   
1051 O  O   . GLY B 58 ? 0.25460 0.26900 0.22830 0.04310  0.00470  0.01370  56  GLY B O   
1052 N  N   . ALA B 59 ? 0.21350 0.21580 0.18640 0.03930  0.00210  0.00690  57  ALA B N   
1053 C  CA  . ALA B 59 ? 0.18770 0.19220 0.17220 0.03220  0.00240  0.00890  57  ALA B CA  
1054 C  C   . ALA B 59 ? 0.20680 0.20580 0.19320 0.02810  0.00030  0.00720  57  ALA B C   
1055 O  O   . ALA B 59 ? 0.23770 0.23760 0.23270 0.02330  0.00060  0.00880  57  ALA B O   
1056 C  CB  . ALA B 59 ? 0.18560 0.18750 0.17340 0.02900  0.00190  0.00680  57  ALA B CB  
1057 N  N   . MET B 60 ? 0.17110 0.16470 0.14960 0.03010  -0.00200 0.00390  58  MET B N   
1058 C  CA  . MET B 60 ? 0.19850 0.18980 0.17940 0.02670  -0.00400 0.00270  58  MET B CA  
1059 C  C   . MET B 60 ? 0.20790 0.20570 0.19030 0.02900  -0.00280 0.00720  58  MET B C   
1060 O  O   . MET B 60 ? 0.19770 0.19830 0.17300 0.03430  -0.00240 0.00820  58  MET B O   
1061 C  CB  . MET B 60 ? 0.20250 0.18630 0.17490 0.02670  -0.00750 -0.00260 58  MET B CB  
1062 C  CG  . MET B 60 ? 0.18270 0.16700 0.15830 0.02330  -0.00960 -0.00340 58  MET B CG  
1063 S  SD  . MET B 60 ? 0.17310 0.14940 0.14070 0.02050  -0.01410 -0.00970 58  MET B SD  
1064 C  CE  . MET B 60 ? 0.16100 0.14350 0.12940 0.02040  -0.01650 -0.00910 58  MET B CE  
1065 N  N   . PRO B 61 ? 0.17020 0.16980 0.16070 0.02590  -0.00230 0.01000  59  PRO B N   
1066 C  CA  . PRO B 61 ? 0.19610 0.20090 0.18760 0.02830  -0.00110 0.01500  59  PRO B CA  
1067 C  C   . PRO B 61 ? 0.22570 0.23040 0.21030 0.03120  -0.00360 0.01310  59  PRO B C   
1068 O  O   . PRO B 61 ? 0.20200 0.20240 0.18310 0.02980  -0.00670 0.00780  59  PRO B O   
1069 C  CB  . PRO B 61 ? 0.24610 0.24950 0.24680 0.02400  -0.00040 0.01750  59  PRO B CB  
1070 C  CG  . PRO B 61 ? 0.23100 0.22910 0.23470 0.01980  -0.00180 0.01270  59  PRO B CG  
1071 C  CD  . PRO B 61 ? 0.19020 0.18660 0.18850 0.02050  -0.00250 0.00890  59  PRO B CD  
1072 N  N   . ALA B 62 ? 0.19550 0.20570 0.17820 0.03510  -0.00240 0.01770  60  ALA B N   
1073 C  CA  . ALA B 62 ? 0.19450 0.20640 0.17100 0.03820  -0.00480 0.01680  60  ALA B CA  
1074 C  C   . ALA B 62 ? 0.23230 0.24470 0.21510 0.03630  -0.00590 0.01840  60  ALA B C   
1075 O  O   . ALA B 62 ? 0.27120 0.28330 0.26120 0.03460  -0.00360 0.02280  60  ALA B O   
1076 C  CB  . ALA B 62 ? 0.23000 0.24850 0.20080 0.04410  -0.00280 0.02140  60  ALA B CB  
1077 N  N   . PHE B 63 ? 0.19610 0.20910 0.17560 0.03660  -0.00950 0.01480  61  PHE B N   
1078 C  CA  . PHE B 63 ? 0.18530 0.20040 0.17010 0.03600  -0.01070 0.01630  61  PHE B CA  
1079 C  C   . PHE B 63 ? 0.19920 0.22050 0.17890 0.04070  -0.01240 0.01840  61  PHE B C   
1080 O  O   . PHE B 63 ? 0.22370 0.24820 0.20730 0.04150  -0.01350 0.02000  61  PHE B O   
1081 C  CB  . PHE B 63 ? 0.18890 0.20200 0.17670 0.03140  -0.01360 0.01060  61  PHE B CB  
1082 C  CG  . PHE B 63 ? 0.20150 0.20910 0.19510 0.02700  -0.01190 0.00910  61  PHE B CG  
1083 C  CD1 . PHE B 63 ? 0.18540 0.18850 0.17550 0.02520  -0.01160 0.00600  61  PHE B CD1 
1084 C  CD2 . PHE B 63 ? 0.23310 0.23970 0.23470 0.02530  -0.01070 0.01060  61  PHE B CD2 
1085 C  CE1 . PHE B 63 ? 0.18590 0.18480 0.18100 0.02140  -0.01020 0.00480  61  PHE B CE1 
1086 C  CE2 . PHE B 63 ? 0.19620 0.19800 0.20240 0.02140  -0.00930 0.00900  61  PHE B CE2 
1087 C  CZ  . PHE B 63 ? 0.19020 0.18870 0.19330 0.01930  -0.00920 0.00610  61  PHE B CZ  
1088 N  N   . GLY B 64 ? 0.21970 0.24340 0.19060 0.04450  -0.01260 0.01850  62  GLY B N   
1089 C  CA  . GLY B 64 ? 0.22740 0.25740 0.19180 0.04910  -0.01480 0.01950  62  GLY B CA  
1090 C  C   . GLY B 64 ? 0.27670 0.31140 0.24450 0.05270  -0.01290 0.02690  62  GLY B C   
1091 O  O   . GLY B 64 ? 0.25580 0.29640 0.22040 0.05600  -0.01550 0.02750  62  GLY B O   
1092 N  N   . SER B 65 ? 0.24420 0.27620 0.21770 0.05220  -0.00870 0.03280  63  SER B N   
1093 C  CA  . SER B 65 ? 0.26060 0.29440 0.23670 0.05540  -0.00680 0.04030  63  SER B CA  
1094 C  C   . SER B 65 ? 0.30970 0.33930 0.29390 0.05320  -0.00720 0.04070  63  SER B C   
1095 O  O   . SER B 65 ? 0.36250 0.39250 0.34790 0.05660  -0.00640 0.04620  63  SER B O   
1096 C  CB  . SER B 65 ? 0.35510 0.38810 0.33190 0.05580  -0.00200 0.04740  63  SER B CB  
1097 O  OG  . SER B 65 ? 0.40440 0.43100 0.38850 0.05030  0.00010  0.04710  63  SER B OG  
1098 N  N   . LYS B 66 ? 0.27910 0.30450 0.26820 0.04830  -0.00820 0.03510  64  LYS B N   
1099 C  CA  . LYS B 66 ? 0.28300 0.30430 0.27950 0.04650  -0.00810 0.03480  64  LYS B CA  
1100 C  C   . LYS B 66 ? 0.31620 0.34300 0.31370 0.04690  -0.01200 0.03020  64  LYS B C   
1101 O  O   . LYS B 66 ? 0.39260 0.41930 0.39460 0.04860  -0.01210 0.03150  64  LYS B O   
1102 C  CB  . LYS B 66 ? 0.30670 0.32090 0.30840 0.04080  -0.00650 0.03200  64  LYS B CB  
1103 C  CG  . LYS B 66 ? 0.40420 0.41470 0.40620 0.03920  -0.00290 0.03630  64  LYS B CG  
1104 C  CD  . LYS B 66 ? 0.42970 0.43450 0.43680 0.03350  -0.00180 0.03320  64  LYS B CD  
1105 C  CE  . LYS B 66 ? 0.45320 0.45970 0.45740 0.03140  -0.00340 0.02690  64  LYS B CE  
1106 N  NZ  . LYS B 66 ? 0.38190 0.38470 0.38950 0.02700  -0.00180 0.02530  64  LYS B NZ  
1107 N  N   . LEU B 67 ? 0.25910 0.29070 0.25220 0.04550  -0.01520 0.02490  65  LEU B N   
1108 C  CA  . LEU B 67 ? 0.22350 0.26150 0.21810 0.04420  -0.01910 0.02030  65  LEU B CA  
1109 C  C   . LEU B 67 ? 0.21400 0.26110 0.20210 0.04770  -0.02260 0.02030  65  LEU B C   
1110 O  O   . LEU B 67 ? 0.22550 0.27250 0.20600 0.04980  -0.02260 0.02100  65  LEU B O   
1111 C  CB  . LEU B 67 ? 0.18920 0.22440 0.18410 0.03770  -0.02060 0.01370  65  LEU B CB  
1112 C  CG  . LEU B 67 ? 0.17930 0.20680 0.18050 0.03390  -0.01780 0.01280  65  LEU B CG  
1113 C  CD1 . LEU B 67 ? 0.23460 0.25950 0.23460 0.02800  -0.01950 0.00670  65  LEU B CD1 
1114 C  CD2 . LEU B 67 ? 0.23160 0.26060 0.24020 0.03500  -0.01700 0.01440  65  LEU B CD2 
1115 N  N   . SER B 68 ? 0.21090 0.26680 0.20180 0.04860  -0.02570 0.01920  66  SER B N   
1116 C  CA  . SER B 68 ? 0.22660 0.29270 0.21160 0.05110  -0.02990 0.01830  66  SER B CA  
1117 C  C   . SER B 68 ? 0.20950 0.27530 0.18890 0.04540  -0.03370 0.01120  66  SER B C   
1118 O  O   . SER B 68 ? 0.18770 0.24710 0.16920 0.03940  -0.03340 0.00700  66  SER B O   
1119 C  CB  . SER B 68 ? 0.22800 0.30560 0.21850 0.05360  -0.03240 0.01930  66  SER B CB  
1120 O  OG  . SER B 68 ? 0.22130 0.30230 0.21760 0.04750  -0.03440 0.01420  66  SER B OG  
1121 N  N   . ALA B 69 ? 0.20430 0.27660 0.17580 0.04730  -0.03760 0.00970  67  ALA B N   
1122 C  CA  . ALA B 69 ? 0.20700 0.27800 0.17190 0.04170  -0.04200 0.00260  67  ALA B CA  
1123 C  C   . ALA B 69 ? 0.20490 0.28030 0.17670 0.03450  -0.04500 -0.00160 67  ALA B C   
1124 O  O   . ALA B 69 ? 0.20400 0.27220 0.17370 0.02780  -0.04640 -0.00680 67  ALA B O   
1125 C  CB  . ALA B 69 ? 0.20910 0.28730 0.16420 0.04510  -0.04630 0.00150  67  ALA B CB  
1126 N  N   . ASP B 70 ? 0.20150 0.28900 0.18130 0.03610  -0.04600 0.00090  68  ASP B N   
1127 C  CA  . ASP B 70 ? 0.18060 0.27500 0.16810 0.02960  -0.04820 -0.00220 68  ASP B CA  
1128 C  C   . ASP B 70 ? 0.18470 0.26930 0.17820 0.02560  -0.04420 -0.00280 68  ASP B C   
1129 O  O   . ASP B 70 ? 0.18250 0.26660 0.17810 0.01800  -0.04600 -0.00700 68  ASP B O   
1130 C  CB  . ASP B 70 ? 0.20830 0.31890 0.20340 0.03400  -0.04920 0.00150  68  ASP B CB  
1131 C  CG  . ASP B 70 ? 0.23450 0.35900 0.22500 0.03540  -0.05490 0.00070  68  ASP B CG  
1132 O  OD1 . ASP B 70 ? 0.24470 0.36580 0.22570 0.03230  -0.05840 -0.00330 68  ASP B OD1 
1133 O  OD2 . ASP B 70 ? 0.25010 0.38930 0.24630 0.03990  -0.05600 0.00390  68  ASP B OD2 
1134 N  N   . ASP B 71 ? 0.17450 0.25200 0.17110 0.03040  -0.03900 0.00150  69  ASP B N   
1135 C  CA  . ASP B 71 ? 0.19410 0.26210 0.19550 0.02690  -0.03540 0.00060  69  ASP B CA  
1136 C  C   . ASP B 71 ? 0.16190 0.21960 0.15740 0.02090  -0.03610 -0.00400 69  ASP B C   
1137 O  O   . ASP B 71 ? 0.16550 0.21960 0.16400 0.01500  -0.03590 -0.00700 69  ASP B O   
1138 C  CB  . ASP B 71 ? 0.22510 0.28470 0.22840 0.03210  -0.03020 0.00550  69  ASP B CB  
1139 C  CG  . ASP B 71 ? 0.25210 0.31770 0.26090 0.03840  -0.02880 0.01030  69  ASP B CG  
1140 O  OD1 . ASP B 71 ? 0.26060 0.33700 0.27440 0.03860  -0.03070 0.00950  69  ASP B OD1 
1141 O  OD2 . ASP B 71 ? 0.26920 0.32820 0.27700 0.04320  -0.02550 0.01510  69  ASP B OD2 
1142 N  N   . ILE B 72 ? 0.16660 0.21870 0.15280 0.02320  -0.03660 -0.00430 70  ILE B N   
1143 C  CA  . ILE B 72 ? 0.16930 0.20990 0.14880 0.01950  -0.03660 -0.00830 70  ILE B CA  
1144 C  C   . ILE B 72 ? 0.20100 0.24220 0.17610 0.01260  -0.04180 -0.01400 70  ILE B C   
1145 O  O   . ILE B 72 ? 0.19790 0.23070 0.17180 0.00690  -0.04200 -0.01740 70  ILE B O   
1146 C  CB  . ILE B 72 ? 0.19160 0.22690 0.16230 0.02510  -0.03510 -0.00660 70  ILE B CB  
1147 C  CG1 . ILE B 72 ? 0.21350 0.24640 0.18950 0.02940  -0.02960 -0.00080 70  ILE B CG1 
1148 C  CG2 . ILE B 72 ? 0.20690 0.23090 0.16850 0.02250  -0.03590 -0.01130 70  ILE B CG2 
1149 C  CD1 . ILE B 72 ? 0.25340 0.28350 0.22210 0.03490  -0.02730 0.00200  70  ILE B CD1 
1150 N  N   . ALA B 73 ? 0.19000 0.24120 0.16270 0.01270  -0.04630 -0.01500 71  ALA B N   
1151 C  CA  . ALA B 73 ? 0.18830 0.24120 0.15780 0.00470  -0.05180 -0.02030 71  ALA B CA  
1152 C  C   . ALA B 73 ? 0.18810 0.24480 0.16730 -0.00220 -0.05150 -0.02080 71  ALA B C   
1153 O  O   . ALA B 73 ? 0.21420 0.26410 0.19060 -0.01000 -0.05360 -0.02480 71  ALA B O   
1154 C  CB  . ALA B 73 ? 0.22830 0.29470 0.19550 0.00590  -0.05680 -0.02070 71  ALA B CB  
1155 N  N   . ASP B 74 ? 0.17380 0.24090 0.16390 0.00090  -0.04880 -0.01680 72  ASP B N   
1156 C  CA  . ASP B 74 ? 0.16550 0.23840 0.16480 -0.00470 -0.04820 -0.01700 72  ASP B CA  
1157 C  C   . ASP B 74 ? 0.18950 0.24870 0.18920 -0.00760 -0.04440 -0.01790 72  ASP B C   
1158 O  O   . ASP B 74 ? 0.17590 0.23430 0.17760 -0.01510 -0.04530 -0.02010 72  ASP B O   
1159 C  CB  . ASP B 74 ? 0.15850 0.24520 0.16800 0.00100  -0.04600 -0.01260 72  ASP B CB  
1160 C  CG  . ASP B 74 ? 0.23130 0.33530 0.24220 0.00300  -0.05030 -0.01170 72  ASP B CG  
1161 O  OD1 . ASP B 74 ? 0.20940 0.31650 0.21460 -0.00190 -0.05550 -0.01500 72  ASP B OD1 
1162 O  OD2 . ASP B 74 ? 0.24130 0.35570 0.25880 0.00970  -0.04850 -0.00770 72  ASP B OD2 
1163 N  N   . VAL B 75 ? 0.15940 0.20870 0.15730 -0.00190 -0.04020 -0.01580 73  VAL B N   
1164 C  CA  . VAL B 75 ? 0.18810 0.22590 0.18650 -0.00440 -0.03700 -0.01660 73  VAL B CA  
1165 C  C   . VAL B 75 ? 0.20110 0.22710 0.18980 -0.00970 -0.03940 -0.02080 73  VAL B C   
1166 O  O   . VAL B 75 ? 0.18700 0.20630 0.17600 -0.01490 -0.03870 -0.02250 73  VAL B O   
1167 C  CB  . VAL B 75 ? 0.15020 0.18150 0.14980 0.00210  -0.03220 -0.01320 73  VAL B CB  
1168 C  CG1 . VAL B 75 ? 0.15580 0.17890 0.14610 0.00570  -0.03200 -0.01320 73  VAL B CG1 
1169 C  CG2 . VAL B 75 ? 0.15960 0.18410 0.16330 -0.00050 -0.02890 -0.01350 73  VAL B CG2 
1170 N  N   . ALA B 76 ? 0.20370 0.22680 0.18300 -0.00840 -0.04260 -0.02280 74  ALA B N   
1171 C  CA  . ALA B 76 ? 0.18550 0.19590 0.15400 -0.01310 -0.04550 -0.02730 74  ALA B CA  
1172 C  C   . ALA B 76 ? 0.21900 0.23210 0.18900 -0.02300 -0.04940 -0.03020 74  ALA B C   
1173 O  O   . ALA B 76 ? 0.24650 0.24820 0.21250 -0.02850 -0.04970 -0.03250 74  ALA B O   
1174 C  CB  . ALA B 76 ? 0.22220 0.22950 0.17940 -0.00890 -0.04830 -0.02930 74  ALA B CB  
1175 N  N   . SER B 77 ? 0.21840 0.24720 0.19450 -0.02530 -0.05230 -0.02950 75  SER B N   
1176 C  CA  . SER B 77 ? 0.21410 0.24890 0.19340 -0.03540 -0.05590 -0.03140 75  SER B CA  
1177 C  C   . SER B 77 ? 0.20290 0.23820 0.19070 -0.03890 -0.05210 -0.02950 75  SER B C   
1178 O  O   . SER B 77 ? 0.23820 0.26880 0.22460 -0.04770 -0.05370 -0.03130 75  SER B O   
1179 C  CB  . SER B 77 ? 0.25630 0.31150 0.24220 -0.03590 -0.05920 -0.03020 75  SER B CB  
1180 O  OG  . SER B 77 ? 0.31850 0.37410 0.29590 -0.03340 -0.06330 -0.03230 75  SER B OG  
1181 N  N   . TYR B 78 ? 0.17780 0.21820 0.17370 -0.03220 -0.04720 -0.02600 76  TYR B N   
1182 C  CA  . TYR B 78 ? 0.18240 0.22330 0.18560 -0.03440 -0.04340 -0.02450 76  TYR B CA  
1183 C  C   . TYR B 78 ? 0.20180 0.22460 0.19790 -0.03710 -0.04190 -0.02620 76  TYR B C   
1184 O  O   . TYR B 78 ? 0.24130 0.26190 0.23880 -0.04390 -0.04170 -0.02660 76  TYR B O   
1185 C  CB  . TYR B 78 ? 0.15410 0.20120 0.16530 -0.02600 -0.03880 -0.02090 76  TYR B CB  
1186 C  CG  . TYR B 78 ? 0.18890 0.23610 0.20670 -0.02710 -0.03490 -0.01980 76  TYR B CG  
1187 C  CD1 . TYR B 78 ? 0.21390 0.27520 0.23990 -0.03060 -0.03480 -0.01890 76  TYR B CD1 
1188 C  CD2 . TYR B 78 ? 0.17490 0.20920 0.19040 -0.02470 -0.03140 -0.01960 76  TYR B CD2 
1189 C  CE1 . TYR B 78 ? 0.21710 0.27870 0.24810 -0.03110 -0.03110 -0.01810 76  TYR B CE1 
1190 C  CE2 . TYR B 78 ? 0.16010 0.19450 0.18070 -0.02560 -0.02800 -0.01890 76  TYR B CE2 
1191 C  CZ  . TYR B 78 ? 0.18620 0.23370 0.21410 -0.02870 -0.02790 -0.01830 76  TYR B CZ  
1192 O  OH  . TYR B 78 ? 0.21200 0.25980 0.24400 -0.02900 -0.02450 -0.01780 76  TYR B OH  
1193 N  N   . VAL B 79 ? 0.20470 0.21510 0.19310 -0.03150 -0.04080 -0.02670 77  VAL B N   
1194 C  CA  . VAL B 79 ? 0.20310 0.19680 0.18430 -0.03250 -0.03930 -0.02810 77  VAL B CA  
1195 C  C   . VAL B 79 ? 0.22490 0.20910 0.19750 -0.04090 -0.04350 -0.03150 77  VAL B C   
1196 O  O   . VAL B 79 ? 0.25540 0.23150 0.22660 -0.04580 -0.04270 -0.03180 77  VAL B O   
1197 C  CB  . VAL B 79 ? 0.22650 0.21150 0.20110 -0.02440 -0.03750 -0.02790 77  VAL B CB  
1198 C  CG1 . VAL B 79 ? 0.21500 0.18300 0.17970 -0.02520 -0.03730 -0.03000 77  VAL B CG1 
1199 C  CG2 . VAL B 79 ? 0.19480 0.18550 0.17770 -0.01800 -0.03290 -0.02420 77  VAL B CG2 
1200 N  N   . LEU B 80 ? 0.22950 0.21400 0.19580 -0.04280 -0.04820 -0.03400 78  LEU B N   
1201 C  CA  . LEU B 80 ? 0.27060 0.24430 0.22770 -0.05160 -0.05280 -0.03760 78  LEU B CA  
1202 C  C   . LEU B 80 ? 0.32440 0.30640 0.28930 -0.06170 -0.05370 -0.03640 78  LEU B C   
1203 O  O   . LEU B 80 ? 0.33580 0.30600 0.29550 -0.06880 -0.05460 -0.03740 78  LEU B O   
1204 C  CB  . LEU B 80 ? 0.29740 0.27110 0.24630 -0.05210 -0.05820 -0.04090 78  LEU B CB  
1205 C  CG  . LEU B 80 ? 0.34620 0.30620 0.28200 -0.04430 -0.05860 -0.04340 78  LEU B CG  
1206 C  CD1 . LEU B 80 ? 0.33170 0.29150 0.25850 -0.04710 -0.06490 -0.04750 78  LEU B CD1 
1207 C  CD2 . LEU B 80 ? 0.37050 0.30920 0.29590 -0.04410 -0.05720 -0.04510 78  LEU B CD2 
1208 N  N   . ASP B 81 ? 0.26480 0.26770 0.24210 -0.06200 -0.05320 -0.03390 79  ASP B N   
1209 C  CA  . ASP B 81 ? 0.27280 0.28740 0.25850 -0.07110 -0.05370 -0.03240 79  ASP B CA  
1210 C  C   . ASP B 81 ? 0.31630 0.32590 0.30540 -0.07170 -0.04890 -0.03020 79  ASP B C   
1211 O  O   . ASP B 81 ? 0.30240 0.30860 0.29070 -0.08080 -0.04970 -0.02990 79  ASP B O   
1212 C  CB  . ASP B 81 ? 0.27110 0.31010 0.26900 -0.06900 -0.05380 -0.03000 79  ASP B CB  
1213 C  CG  . ASP B 81 ? 0.32210 0.37680 0.32930 -0.07820 -0.05440 -0.02810 79  ASP B CG  
1214 O  OD1 . ASP B 81 ? 0.39250 0.44730 0.39640 -0.08880 -0.05920 -0.02970 79  ASP B OD1 
1215 O  OD2 . ASP B 81 ? 0.32360 0.39060 0.34090 -0.07480 -0.05020 -0.02510 79  ASP B OD2 
1216 N  N   . GLN B 82 ? 0.22850 0.23740 0.22110 -0.06250 -0.04410 -0.02840 80  GLN B N   
1217 C  CA  . GLN B 82 ? 0.25580 0.25960 0.25070 -0.06260 -0.03980 -0.02680 80  GLN B CA  
1218 C  C   . GLN B 82 ? 0.29950 0.28220 0.28270 -0.06590 -0.04060 -0.02840 80  GLN B C   
1219 O  O   . GLN B 82 ? 0.32040 0.29910 0.30350 -0.07130 -0.03930 -0.02730 80  GLN B O   
1220 C  CB  . GLN B 82 ? 0.23940 0.24560 0.23940 -0.05260 -0.03520 -0.02510 80  GLN B CB  
1221 C  CG  . GLN B 82 ? 0.20820 0.23340 0.21960 -0.04900 -0.03370 -0.02300 80  GLN B CG  
1222 C  CD  . GLN B 82 ? 0.31250 0.35000 0.33160 -0.05480 -0.03260 -0.02140 80  GLN B CD  
1223 O  OE1 . GLN B 82 ? 0.35000 0.38240 0.36900 -0.05680 -0.03000 -0.02080 80  GLN B OE1 
1224 N  NE2 . GLN B 82 ? 0.28600 0.34100 0.31170 -0.05730 -0.03470 -0.02060 80  GLN B NE2 
1225 N  N   . SER B 83 ? 0.29430 0.26330 0.26690 -0.06210 -0.04250 -0.03100 81  SER B N   
1226 C  CA  . SER B 83 ? 0.32600 0.27390 0.28620 -0.06360 -0.04310 -0.03260 81  SER B CA  
1227 C  C   . SER B 83 ? 0.38810 0.32960 0.34330 -0.07540 -0.04690 -0.03360 81  SER B C   
1228 O  O   . SER B 83 ? 0.41190 0.34070 0.36180 -0.07910 -0.04600 -0.03290 81  SER B O   
1229 C  CB  . SER B 83 ? 0.34460 0.28050 0.29380 -0.05660 -0.04460 -0.03540 81  SER B CB  
1230 O  OG  . SER B 83 ? 0.43760 0.37030 0.37950 -0.06110 -0.04990 -0.03860 81  SER B OG  
1231 N  N   . GLU B 84 ? 0.36820 0.31890 0.32520 -0.08170 -0.05130 -0.03490 82  GLU B N   
1232 C  CA  . GLU B 84 ? 0.41330 0.36040 0.36770 -0.09290 -0.05430 -0.03510 82  GLU B CA  
1233 C  C   . GLU B 84 ? 0.42640 0.38560 0.39150 -0.09850 -0.05120 -0.03090 82  GLU B C   
1234 O  O   . GLU B 84 ? 0.49170 0.44310 0.45390 -0.10380 -0.05050 -0.02930 82  GLU B O   
1235 C  CB  . GLU B 84 ? 0.45480 0.41200 0.41030 -0.09690 -0.05920 -0.03710 82  GLU B CB  
1236 C  CG  . GLU B 84 ? 0.51000 0.45540 0.45350 -0.09170 -0.06270 -0.04150 82  GLU B CG  
1237 C  CD  . GLU B 84 ? 0.58330 0.50670 0.51350 -0.09310 -0.06410 -0.04400 82  GLU B CD  
1238 O  OE1 . GLU B 84 ? 0.60400 0.51460 0.53080 -0.09390 -0.06130 -0.04220 82  GLU B OE1 
1239 O  OE2 . GLU B 84 ? 0.68190 0.60090 0.60470 -0.09310 -0.06810 -0.04760 82  GLU B OE2 
1240 N  N   . LYS B 85 ? 0.37140 0.35010 0.34870 -0.09630 -0.04880 -0.02880 83  LYS B N   
1241 C  CA  . LYS B 85 ? 0.37380 0.36510 0.36090 -0.10070 -0.04550 -0.02500 83  LYS B CA  
1242 C  C   . LYS B 85 ? 0.41050 0.39020 0.39480 -0.09650 -0.04080 -0.02340 83  LYS B C   
1243 O  O   . LYS B 85 ? 0.45750 0.44370 0.44680 -0.10100 -0.03820 -0.02040 83  LYS B O   
1244 C  CB  . LYS B 85 ? 0.32180 0.33860 0.32310 -0.09590 -0.04330 -0.02310 83  LYS B CB  
1245 C  CG  . LYS B 85 ? 0.36010 0.39270 0.36580 -0.10070 -0.04790 -0.02380 83  LYS B CG  
1246 C  CD  . LYS B 85 ? 0.39020 0.44610 0.40840 -0.09320 -0.04570 -0.02200 83  LYS B CD  
1247 C  CE  . LYS B 85 ? 0.42110 0.49550 0.44440 -0.09850 -0.05040 -0.02210 83  LYS B CE  
1248 N  NZ  . LYS B 85 ? 0.46120 0.55680 0.49510 -0.08940 -0.04850 -0.02030 83  LYS B NZ  
1249 N  N   . GLY B 86 ? 0.37530 0.33950 0.35180 -0.08810 -0.03970 -0.02520 84  GLY B N   
1250 C  CA  . GLY B 86 ? 0.39510 0.34890 0.36860 -0.08390 -0.03580 -0.02380 84  GLY B CA  
1251 C  C   . GLY B 86 ? 0.40400 0.36950 0.38680 -0.07540 -0.03110 -0.02230 84  GLY B C   
1252 O  O   . GLY B 86 ? 0.43440 0.39650 0.41740 -0.07390 -0.02780 -0.02070 84  GLY B O   
1253 N  N   . TRP B 87 ? 0.34450 0.32260 0.33450 -0.06970 -0.03080 -0.02280 85  TRP B N   
1254 C  CA  . TRP B 87 ? 0.29480 0.28290 0.29340 -0.06200 -0.02680 -0.02160 85  TRP B CA  
1255 C  C   . TRP B 87 ? 0.41950 0.41720 0.42470 -0.06500 -0.02380 -0.01940 85  TRP B C   
1256 O  O   . TRP B 87 ? 0.40960 0.40550 0.41610 -0.06070 -0.02030 -0.01870 85  TRP B O   
1257 C  CB  . TRP B 87 ? 0.27710 0.25300 0.27060 -0.05400 -0.02480 -0.02230 85  TRP B CB  
1258 C  CG  . TRP B 87 ? 0.26990 0.24050 0.25830 -0.04950 -0.02710 -0.02410 85  TRP B CG  
1259 C  CD1 . TRP B 87 ? 0.30430 0.26040 0.28150 -0.05010 -0.02970 -0.02600 85  TRP B CD1 
1260 C  CD2 . TRP B 87 ? 0.23250 0.21230 0.22620 -0.04350 -0.02670 -0.02390 85  TRP B CD2 
1261 N  NE1 . TRP B 87 ? 0.26710 0.22410 0.24240 -0.04470 -0.03100 -0.02720 85  TRP B NE1 
1262 C  CE2 . TRP B 87 ? 0.24770 0.21910 0.23310 -0.04090 -0.02910 -0.02560 85  TRP B CE2 
1263 C  CE3 . TRP B 87 ? 0.22540 0.21870 0.22890 -0.03970 -0.02460 -0.02240 85  TRP B CE3 
1264 C  CZ2 . TRP B 87 ? 0.19740 0.17480 0.18490 -0.03490 -0.02930 -0.02530 85  TRP B CZ2 
1265 C  CZ3 . TRP B 87 ? 0.19940 0.19710 0.20470 -0.03390 -0.02500 -0.02200 85  TRP B CZ3 
1266 C  CH2 . TRP B 87 ? 0.19830 0.18860 0.19580 -0.03170 -0.02720 -0.02320 85  TRP B CH2 
1267 N  N   . GLN B 88 ? 0.46080 0.46980 0.47030 -0.07270 -0.02520 -0.01820 86  GLN B N   
1268 C  CA  . GLN B 88 ? 0.52640 0.54650 0.54180 -0.07660 -0.02250 -0.01560 86  GLN B CA  
1269 C  C   . GLN B 88 ? 0.55670 0.59570 0.58300 -0.07020 -0.01980 -0.01490 86  GLN B C   
1270 O  O   . GLN B 88 ? 0.63590 0.69250 0.66960 -0.07300 -0.02040 -0.01370 86  GLN B O   
1271 C  CB  . GLN B 88 ? 0.47260 0.49710 0.48770 -0.08830 -0.02520 -0.01410 86  GLN B CB  
1272 C  CG  . GLN B 88 ? 0.53150 0.53840 0.53680 -0.09530 -0.02570 -0.01310 86  GLN B CG  
1273 C  CD  . GLN B 88 ? 0.64610 0.65560 0.65330 -0.09470 -0.02120 -0.01040 86  GLN B CD  
1274 O  OE1 . GLN B 88 ? 0.72960 0.75400 0.74520 -0.08940 -0.01780 -0.00960 86  GLN B OE1 
1275 N  NE2 . GLN B 88 ? 0.69790 0.69180 0.69620 -0.09960 -0.02120 -0.00900 86  GLN B NE2 
1276 N  N   . GLY B 89 ? 0.54400 0.57890 0.57080 -0.06140 -0.01700 -0.01580 87  GLY B N   
1277 C  CA  . GLY B 89 ? 0.57470 0.62320 0.60980 -0.05440 -0.01430 -0.01550 87  GLY B CA  
1278 C  C   . GLY B 89 ? 0.55150 0.61010 0.59130 -0.05080 -0.01620 -0.01580 87  GLY B C   
1279 O  O   . GLY B 89 ? 0.67650 0.75140 0.72230 -0.05340 -0.01710 -0.01460 87  GLY B O   
1280 O  OXT . GLY B 89 ? 0.66350 0.71500 0.70130 -0.04500 -0.01680 -0.01690 87  GLY B OXT 
1281 N  N   . GLY C 1  ? 0.46890 0.80900 0.61030 -0.05300 0.03130  0.13320  -1  GLY C N   
1282 C  CA  . GLY C 1  ? 0.40840 0.76210 0.55370 -0.05400 0.02830  0.13060  -1  GLY C CA  
1283 C  C   . GLY C 1  ? 0.39640 0.75060 0.53580 -0.04090 0.02820  0.12400  -1  GLY C C   
1284 O  O   . GLY C 1  ? 0.36980 0.70610 0.50440 -0.03710 0.02830  0.11870  -1  GLY C O   
1285 N  N   . SER C 2  ? 0.39900 0.77360 0.53800 -0.03360 0.02800  0.12470  0   SER C N   
1286 C  CA  . SER C 2  ? 0.38990 0.76400 0.52270 -0.02150 0.02760  0.11840  0   SER C CA  
1287 C  C   . SER C 2  ? 0.35220 0.71970 0.47450 -0.00630 0.03140  0.11700  0   SER C C   
1288 O  O   . SER C 2  ? 0.32260 0.67540 0.43950 -0.00020 0.03110  0.11040  0   SER C O   
1289 C  CB  . SER C 2  ? 0.26510 0.66240 0.39900 -0.01690 0.02660  0.12010  0   SER C CB  
1290 O  OG  . SER C 2  ? 0.37410 0.78900 0.50430 -0.00720 0.03010  0.12630  0   SER C OG  
1291 N  N   . ALA C 3  ? 0.34610 0.72410 0.46510 0.00010  0.03490  0.12300  1   ALA C N   
1292 C  CA  . ALA C 3  ? 0.32260 0.69330 0.43030 0.01460  0.03830  0.12130  1   ALA C CA  
1293 C  C   . ALA C 3  ? 0.30920 0.65610 0.41510 0.01120  0.03870  0.11750  1   ALA C C   
1294 O  O   . ALA C 3  ? 0.25840 0.59260 0.35620 0.02060  0.03930  0.11140  1   ALA C O   
1295 C  CB  . ALA C 3  ? 0.31400 0.69980 0.41920 0.02020  0.04160  0.12870  1   ALA C CB  
1296 N  N   . ASP C 4  ? 0.32570 0.66550 0.43860 -0.00240 0.03820  0.12110  2   ASP C N   
1297 C  CA  . ASP C 4  ? 0.28670 0.60430 0.39740 -0.00570 0.03870  0.11850  2   ASP C CA  
1298 C  C   . ASP C 4  ? 0.25150 0.55430 0.36260 -0.00760 0.03580  0.11050  2   ASP C C   
1299 O  O   . ASP C 4  ? 0.24160 0.53000 0.34650 -0.00160 0.03690  0.10610  2   ASP C O   
1300 C  CB  . ASP C 4  ? 0.30000 0.61150 0.41750 -0.02030 0.03830  0.12400  2   ASP C CB  
1301 C  CG  . ASP C 4  ? 0.41410 0.73580 0.52970 -0.01720 0.04190  0.13190  2   ASP C CG  
1302 O  OD1 . ASP C 4  ? 0.38560 0.71800 0.49390 -0.00350 0.04460  0.13260  2   ASP C OD1 
1303 O  OD2 . ASP C 4  ? 0.54890 0.86690 0.66940 -0.02840 0.04180  0.13720  2   ASP C OD2 
1304 N  N   . LEU C 5  ? 0.24140 0.54780 0.35950 -0.01620 0.03200  0.10850  3   LEU C N   
1305 C  CA  . LEU C 5  ? 0.26710 0.56020 0.38590 -0.01840 0.02880  0.10100  3   LEU C CA  
1306 C  C   . LEU C 5  ? 0.28090 0.57600 0.39190 -0.00320 0.02960  0.09560  3   LEU C C   
1307 O  O   . LEU C 5  ? 0.23290 0.50920 0.33840 -0.00020 0.02800  0.08880  3   LEU C O   
1308 C  CB  . LEU C 5  ? 0.26580 0.56290 0.39290 -0.03070 0.02420  0.09990  3   LEU C CB  
1309 C  CG  . LEU C 5  ? 0.30110 0.58820 0.43470 -0.04730 0.02200  0.10240  3   LEU C CG  
1310 C  CD1 . LEU C 5  ? 0.29660 0.58890 0.43650 -0.05750 0.01730  0.10030  3   LEU C CD1 
1311 C  CD2 . LEU C 5  ? 0.28740 0.54950 0.41900 -0.05180 0.02130  0.09900  3   LEU C CD2 
1312 N  N   . ALA C 6  ? 0.26900 0.58100 0.37600 0.00690  0.03100  0.09760  4   ALA C N   
1313 C  CA  . ALA C 6  ? 0.25990 0.57110 0.35710 0.02250  0.03170  0.09270  4   ALA C CA  
1314 C  C   . ALA C 6  ? 0.23660 0.53380 0.32370 0.03260  0.03470  0.09020  4   ALA C C   
1315 O  O   . ALA C 6  ? 0.23950 0.51930 0.31800 0.03940  0.03330  0.08290  4   ALA C O   
1316 C  CB  . ALA C 6  ? 0.26150 0.59260 0.35520 0.03140  0.03270  0.09610  4   ALA C CB  
1317 N  N   . HIS C 7  ? 0.23630 0.53600 0.32130 0.03350  0.03780  0.09530  5   HIS C N   
1318 C  CA  . HIS C 7  ? 0.23990 0.52570 0.31510 0.04190  0.04050  0.09280  5   HIS C CA  
1319 C  C   . HIS C 7  ? 0.22200 0.47850 0.29540 0.03290  0.03670  0.08710  5   HIS C C   
1320 O  O   . HIS C 7  ? 0.24940 0.48430 0.31130 0.03930  0.03530  0.08020  5   HIS C O   
1321 C  CB  . HIS C 7  ? 0.20270 0.49560 0.27490 0.04400  0.04370  0.09930  5   HIS C CB  
1322 C  CG  . HIS C 7  ? 0.23840 0.51810 0.29870 0.05390  0.04620  0.09640  5   HIS C CG  
1323 N  ND1 . HIS C 7  ? 0.27360 0.54440 0.32030 0.06820  0.04600  0.08970  5   HIS C ND1 
1324 C  CD2 . HIS C 7  ? 0.29280 0.56140 0.35020 0.05090  0.04720  0.09830  5   HIS C CD2 
1325 C  CE1 . HIS C 7  ? 0.37390 0.62870 0.40980 0.07300  0.04640  0.08700  5   HIS C CE1 
1326 N  NE2 . HIS C 7  ? 0.35470 0.60860 0.39690 0.06300  0.04720  0.09220  5   HIS C NE2 
1327 N  N   . GLY C 8  ? 0.21490 0.47030 0.29920 0.01790  0.03480  0.08990  6   GLY C N   
1328 C  CA  . GLY C 8  ? 0.16590 0.39450 0.24860 0.01000  0.03140  0.08460  6   GLY C CA  
1329 C  C   . GLY C 8  ? 0.16140 0.37410 0.23850 0.01300  0.02750  0.07530  6   GLY C C   
1330 O  O   . GLY C 8  ? 0.19910 0.38870 0.26930 0.01340  0.02550  0.06930  6   GLY C O   
1331 N  N   . GLY C 9  ? 0.17820 0.40420 0.25840 0.01520  0.02650  0.07430  7   GLY C N   
1332 C  CA  . GLY C 9  ? 0.20970 0.42190 0.28390 0.01880  0.02310  0.06630  7   GLY C CA  
1333 C  C   . GLY C 9  ? 0.17870 0.37970 0.23880 0.03280  0.02410  0.06160  7   GLY C C   
1334 O  O   . GLY C 9  ? 0.22060 0.40110 0.27340 0.03420  0.02150  0.05470  7   GLY C O   
1335 N  N   . GLN C 10 ? 0.19810 0.41220 0.25360 0.04320  0.02780  0.06530  8   GLN C N   
1336 C  CA  . GLN C 10 ? 0.24500 0.44600 0.28550 0.05620  0.02850  0.06050  8   GLN C CA  
1337 C  C   . GLN C 10 ? 0.23210 0.41170 0.26620 0.05410  0.02780  0.05750  8   GLN C C   
1338 O  O   . GLN C 10 ? 0.23100 0.39070 0.25440 0.05870  0.02590  0.05080  8   GLN C O   
1339 C  CB  . GLN C 10 ? 0.31130 0.53190 0.34750 0.06860  0.03270  0.06500  8   GLN C CB  
1340 C  CG  . GLN C 10 ? 0.36390 0.60750 0.40520 0.07340  0.03340  0.06780  8   GLN C CG  
1341 C  CD  . GLN C 10 ? 0.47650 0.70860 0.50970 0.08050  0.03060  0.06130  8   GLN C CD  
1342 O  OE1 . GLN C 10 ? 0.50890 0.71740 0.53750 0.07660  0.02720  0.05490  8   GLN C OE1 
1343 N  NE2 . GLN C 10 ? 0.46040 0.71030 0.49210 0.09110  0.03220  0.06330  8   GLN C NE2 
1344 N  N   . VAL C 11 ? 0.18460 0.36830 0.22500 0.04700  0.02940  0.06270  9   VAL C N   
1345 C  CA  . VAL C 11 ? 0.19950 0.36390 0.23480 0.04450  0.02850  0.06020  9   VAL C CA  
1346 C  C   . VAL C 11 ? 0.16200 0.30640 0.19840 0.03690  0.02430  0.05400  9   VAL C C   
1347 O  O   . VAL C 11 ? 0.16730 0.29310 0.19540 0.03910  0.02260  0.04850  9   VAL C O   
1348 C  CB  . VAL C 11 ? 0.16950 0.34220 0.21180 0.03800  0.03100  0.06780  9   VAL C CB  
1349 C  CG1 . VAL C 11 ? 0.16760 0.32100 0.20460 0.03610  0.02980  0.06550  9   VAL C CG1 
1350 C  CG2 . VAL C 11 ? 0.20030 0.39410 0.24110 0.04610  0.03550  0.07430  9   VAL C CG2 
1351 N  N   . PHE C 12 ? 0.15310 0.30190 0.19930 0.02800  0.02260  0.05460  10  PHE C N   
1352 C  CA  . PHE C 12 ? 0.18020 0.31130 0.22730 0.02110  0.01900  0.04890  10  PHE C CA  
1353 C  C   . PHE C 12 ? 0.18080 0.30030 0.21850 0.02810  0.01700  0.04180  10  PHE C C   
1354 O  O   . PHE C 12 ? 0.17550 0.27670 0.20820 0.02700  0.01490  0.03660  10  PHE C O   
1355 C  CB  . PHE C 12 ? 0.16630 0.30530 0.22500 0.01050  0.01740  0.05080  10  PHE C CB  
1356 C  CG  . PHE C 12 ? 0.16830 0.28970 0.22790 0.00330  0.01380  0.04510  10  PHE C CG  
1357 C  CD1 . PHE C 12 ? 0.17940 0.29510 0.23570 0.00540  0.01140  0.03940  10  PHE C CD1 
1358 C  CD2 . PHE C 12 ? 0.14660 0.25700 0.20950 -0.00470 0.01310  0.04570  10  PHE C CD2 
1359 C  CE1 . PHE C 12 ? 0.16970 0.27030 0.22630 -0.00070 0.00850  0.03440  10  PHE C CE1 
1360 C  CE2 . PHE C 12 ? 0.17430 0.26890 0.23730 -0.01020 0.01010  0.04030  10  PHE C CE2 
1361 C  CZ  . PHE C 12 ? 0.16100 0.25150 0.22110 -0.00820 0.00790  0.03470  10  PHE C CZ  
1362 N  N   . SER C 13 ? 0.19660 0.32690 0.23170 0.03560  0.01770  0.04200  11  SER C N   
1363 C  CA  A SER C 13 ? 0.23960 0.35770 0.26440 0.04270  0.01600  0.03590  11  SER C CA  
1364 C  CA  B SER C 13 ? 0.23650 0.35460 0.26140 0.04260  0.01600  0.03590  11  SER C CA  
1365 C  C   . SER C 13 ? 0.24760 0.35010 0.26010 0.04940  0.01620  0.03240  11  SER C C   
1366 O  O   . SER C 13 ? 0.26780 0.35260 0.27360 0.04940  0.01380  0.02670  11  SER C O   
1367 C  CB  A SER C 13 ? 0.28010 0.41330 0.30340 0.05110  0.01710  0.03760  11  SER C CB  
1368 C  CB  B SER C 13 ? 0.28340 0.41650 0.30680 0.05090  0.01700  0.03760  11  SER C CB  
1369 O  OG  A SER C 13 ? 0.29100 0.41030 0.30290 0.05860  0.01560  0.03220  11  SER C OG  
1370 O  OG  B SER C 13 ? 0.26150 0.40710 0.29550 0.04410  0.01580  0.03950  11  SER C OG  
1371 N  N   . ALA C 14 ? 0.20630 0.31600 0.21570 0.05490  0.01890  0.03580  12  ALA C N   
1372 C  CA  . ALA C 14 ? 0.25730 0.35360 0.25380 0.06200  0.01880  0.03220  12  ALA C CA  
1373 C  C   . ALA C 14 ? 0.22130 0.30360 0.21820 0.05530  0.01710  0.03020  12  ALA C C   
1374 O  O   . ALA C 14 ? 0.30180 0.36930 0.28840 0.05870  0.01550  0.02550  12  ALA C O   
1375 C  CB  . ALA C 14 ? 0.27940 0.38930 0.27170 0.07100  0.02230  0.03650  12  ALA C CB  
1376 N  N   . ASN C 15 ? 0.21420 0.30040 0.22200 0.04580  0.01720  0.03360  13  ASN C N   
1377 C  CA  . ASN C 15 ? 0.20260 0.27840 0.21060 0.04110  0.01630  0.03300  13  ASN C CA  
1378 C  C   . ASN C 15 ? 0.15810 0.22540 0.17380 0.03110  0.01410  0.03130  13  ASN C C   
1379 O  O   . ASN C 15 ? 0.16900 0.22540 0.18330 0.02860  0.01280  0.02940  13  ASN C O   
1380 C  CB  . ASN C 15 ? 0.18640 0.27350 0.19800 0.04080  0.01930  0.03990  13  ASN C CB  
1381 C  CG  . ASN C 15 ? 0.21120 0.30610 0.21390 0.05140  0.02170  0.04140  13  ASN C CG  
1382 O  OD1 . ASN C 15 ? 0.24130 0.32660 0.23400 0.05650  0.02090  0.03810  13  ASN C OD1 
1383 N  ND2 . ASN C 15 ? 0.21820 0.33110 0.22420 0.05490  0.02460  0.04620  13  ASN C ND2 
1384 N  N   . CYS C 16 ? 0.16090 0.23340 0.18440 0.02580  0.01350  0.03200  14  CYS C N   
1385 C  CA  . CYS C 16 ? 0.13390 0.19900 0.16450 0.01640  0.01160  0.03070  14  CYS C CA  
1386 C  C   . CYS C 16 ? 0.17360 0.23240 0.20400 0.01450  0.00910  0.02550  14  CYS C C   
1387 O  O   . CYS C 16 ? 0.17920 0.22720 0.21130 0.00930  0.00720  0.02220  14  CYS C O   
1388 C  CB  . CYS C 16 ? 0.13900 0.21540 0.18020 0.00920  0.01280  0.03660  14  CYS C CB  
1389 S  SG  . CYS C 16 ? 0.13330 0.22280 0.17590 0.01140  0.01650  0.04490  14  CYS C SG  
1390 N  N   . ALA C 17 ? 0.14980 0.21540 0.17770 0.01930  0.00920  0.02490  15  ALA C N   
1391 C  CA  . ALA C 17 ? 0.15380 0.21500 0.18170 0.01730  0.00700  0.02090  15  ALA C CA  
1392 C  C   . ALA C 17 ? 0.16470 0.20890 0.18510 0.01840  0.00520  0.01510  15  ALA C C   
1393 O  O   . ALA C 17 ? 0.17360 0.21220 0.19500 0.01480  0.00340  0.01190  15  ALA C O   
1394 C  CB  . ALA C 17 ? 0.19920 0.27180 0.22510 0.02370  0.00770  0.02200  15  ALA C CB  
1395 N  N   . ALA C 18 ? 0.18150 0.21820 0.19440 0.02290  0.00550  0.01400  16  ALA C N   
1396 C  CA  . ALA C 18 ? 0.19430 0.21580 0.20080 0.02260  0.00360  0.00900  16  ALA C CA  
1397 C  C   . ALA C 18 ? 0.23100 0.24680 0.24380 0.01470  0.00230  0.00740  16  ALA C C   
1398 O  O   . ALA C 18 ? 0.27210 0.27920 0.28250 0.01280  0.00070  0.00350  16  ALA C O   
1399 C  CB  . ALA C 18 ? 0.22500 0.24100 0.22360 0.02720  0.00380  0.00840  16  ALA C CB  
1400 N  N   . CYS C 19 ? 0.17710 0.19760 0.19740 0.01040  0.00310  0.01050  17  CYS C N   
1401 C  CA  . CYS C 19 ? 0.14110 0.15590 0.16690 0.00390  0.00200  0.00900  17  CYS C CA  
1402 C  C   . CYS C 19 ? 0.16080 0.18110 0.19430 -0.00180 0.00170  0.01040  17  CYS C C   
1403 O  O   . CYS C 19 ? 0.18250 0.19680 0.21850 -0.00630 0.00040  0.00760  17  CYS C O   
1404 C  CB  . CYS C 19 ? 0.14840 0.16040 0.17550 0.00310  0.00260  0.01110  17  CYS C CB  
1405 S  SG  . CYS C 19 ? 0.17260 0.17770 0.19070 0.00830  0.00200  0.00860  17  CYS C SG  
1406 N  N   . HIS C 20 ? 0.14750 0.17990 0.18490 -0.00180 0.00290  0.01450  18  HIS C N   
1407 C  CA  . HIS C 20 ? 0.16700 0.20560 0.21250 -0.00860 0.00240  0.01660  18  HIS C CA  
1408 C  C   . HIS C 20 ? 0.17040 0.21990 0.21760 -0.00810 0.00190  0.01670  18  HIS C C   
1409 O  O   . HIS C 20 ? 0.17880 0.23890 0.23290 -0.01280 0.00180  0.01990  18  HIS C O   
1410 C  CB  . HIS C 20 ? 0.11780 0.16310 0.16830 -0.01120 0.00420  0.02260  18  HIS C CB  
1411 C  CG  . HIS C 20 ? 0.14700 0.18190 0.19690 -0.01260 0.00450  0.02320  18  HIS C CG  
1412 N  ND1 . HIS C 20 ? 0.15840 0.18170 0.20970 -0.01710 0.00290  0.02020  18  HIS C ND1 
1413 C  CD2 . HIS C 20 ? 0.15120 0.18620 0.19880 -0.00930 0.00630  0.02660  18  HIS C CD2 
1414 C  CE1 . HIS C 20 ? 0.18020 0.19700 0.23030 -0.01640 0.00370  0.02200  18  HIS C CE1 
1415 N  NE2 . HIS C 20 ? 0.14240 0.16630 0.19040 -0.01190 0.00570  0.02600  18  HIS C NE2 
1416 N  N   . LEU C 21 ? 0.15070 0.19810 0.19150 -0.00250 0.00130  0.01360  19  LEU C N   
1417 C  CA  . LEU C 21 ? 0.16370 0.22120 0.20490 -0.00050 0.00070  0.01380  19  LEU C CA  
1418 C  C   . LEU C 21 ? 0.18330 0.24560 0.23190 -0.00840 -0.00120 0.01330  19  LEU C C   
1419 O  O   . LEU C 21 ? 0.18130 0.23340 0.23030 -0.01320 -0.00290 0.00960  19  LEU C O   
1420 C  CB  . LEU C 21 ? 0.17670 0.22550 0.20910 0.00500  -0.00010 0.00970  19  LEU C CB  
1421 C  CG  . LEU C 21 ? 0.17930 0.23670 0.21020 0.00880  -0.00080 0.00980  19  LEU C CG  
1422 C  CD1 . LEU C 21 ? 0.23210 0.30100 0.26080 0.01650  0.00120  0.01360  19  LEU C CD1 
1423 C  CD2 . LEU C 21 ? 0.22870 0.27380 0.25120 0.01170  -0.00190 0.00560  19  LEU C CD2 
1424 N  N   . GLY C 22 ? 0.18550 0.26420 0.23980 -0.00960 -0.00110 0.01700  20  GLY C N   
1425 C  CA  . GLY C 22 ? 0.18970 0.27440 0.25100 -0.01780 -0.00350 0.01660  20  GLY C CA  
1426 C  C   . GLY C 22 ? 0.23850 0.31510 0.30470 -0.02690 -0.00430 0.01660  20  GLY C C   
1427 O  O   . GLY C 22 ? 0.24220 0.31660 0.31140 -0.03370 -0.00690 0.01390  20  GLY C O   
1428 N  N   . GLY C 23 ? 0.17420 0.24560 0.24030 -0.02670 -0.00230 0.01930  21  GLY C N   
1429 C  CA  . GLY C 23 ? 0.19550 0.25800 0.26530 -0.03430 -0.00280 0.02000  21  GLY C CA  
1430 C  C   . GLY C 23 ? 0.16980 0.21360 0.23510 -0.03450 -0.00380 0.01480  21  GLY C C   
1431 O  O   . GLY C 23 ? 0.19620 0.23090 0.26350 -0.04010 -0.00450 0.01490  21  GLY C O   
1432 N  N   . ARG C 24 ? 0.17340 0.21140 0.23240 -0.02850 -0.00380 0.01070  22  ARG C N   
1433 C  CA  . ARG C 24 ? 0.13990 0.16290 0.19510 -0.02850 -0.00460 0.00590  22  ARG C CA  
1434 C  C   . ARG C 24 ? 0.15860 0.17500 0.21080 -0.02440 -0.00280 0.00730  22  ARG C C   
1435 O  O   . ARG C 24 ? 0.15640 0.17800 0.21000 -0.02330 -0.00110 0.01210  22  ARG C O   
1436 C  CB  . ARG C 24 ? 0.20240 0.22370 0.25290 -0.02540 -0.00580 0.00130  22  ARG C CB  
1437 C  CG  . ARG C 24 ? 0.23260 0.26120 0.28610 -0.02960 -0.00800 -0.00010 22  ARG C CG  
1438 C  CD  . ARG C 24 ? 0.32840 0.35320 0.37700 -0.02750 -0.00920 -0.00480 22  ARG C CD  
1439 N  NE  . ARG C 24 ? 0.36020 0.37200 0.40590 -0.02820 -0.00940 -0.00880 22  ARG C NE  
1440 C  CZ  . ARG C 24 ? 0.44270 0.44870 0.48940 -0.03280 -0.01110 -0.01210 22  ARG C CZ  
1441 N  NH1 . ARG C 24 ? 0.38460 0.39540 0.43510 -0.03840 -0.01310 -0.01230 22  ARG C NH1 
1442 N  NH2 . ARG C 24 ? 0.39240 0.38790 0.43590 -0.03170 -0.01080 -0.01560 22  ARG C NH2 
1443 N  N   . ASN C 25 ? 0.16900 0.17490 0.21690 -0.02230 -0.00310 0.00340  23  ASN C N   
1444 C  CA  . ASN C 25 ? 0.16790 0.16850 0.21300 -0.01850 -0.00190 0.00440  23  ASN C CA  
1445 C  C   . ASN C 25 ? 0.16820 0.16260 0.20830 -0.01550 -0.00250 -0.00020 23  ASN C C   
1446 O  O   . ASN C 25 ? 0.22980 0.21740 0.27000 -0.01740 -0.00330 -0.00350 23  ASN C O   
1447 C  CB  . ASN C 25 ? 0.20080 0.19480 0.24870 -0.02160 -0.00170 0.00610  23  ASN C CB  
1448 C  CG  . ASN C 25 ? 0.17470 0.16520 0.21980 -0.01730 -0.00050 0.00770  23  ASN C CG  
1449 O  OD1 . ASN C 25 ? 0.18400 0.17380 0.22470 -0.01310 -0.00050 0.00560  23  ASN C OD1 
1450 N  ND2 . ASN C 25 ? 0.19590 0.18400 0.24320 -0.01870 0.00030  0.01170  23  ASN C ND2 
1451 N  N   . VAL C 26 ? 0.15730 0.15360 0.19250 -0.01090 -0.00200 -0.00030 24  VAL C N   
1452 C  CA  . VAL C 26 ? 0.19990 0.19070 0.23010 -0.00910 -0.00280 -0.00420 24  VAL C CA  
1453 C  C   . VAL C 26 ? 0.22020 0.20500 0.25000 -0.00910 -0.00290 -0.00550 24  VAL C C   
1454 O  O   . VAL C 26 ? 0.19710 0.17810 0.22510 -0.00960 -0.00350 -0.00870 24  VAL C O   
1455 C  CB  . VAL C 26 ? 0.16370 0.15610 0.18770 -0.00450 -0.00260 -0.00390 24  VAL C CB  
1456 C  CG1 . VAL C 26 ? 0.19530 0.18680 0.21630 -0.00110 -0.00190 -0.00210 24  VAL C CG1 
1457 C  CG2 . VAL C 26 ? 0.20690 0.19390 0.22580 -0.00410 -0.00350 -0.00740 24  VAL C CG2 
1458 N  N   . VAL C 27 ? 0.16950 0.15430 0.20100 -0.00840 -0.00220 -0.00270 25  VAL C N   
1459 C  CA  . VAL C 27 ? 0.18250 0.16310 0.21370 -0.00740 -0.00240 -0.00350 25  VAL C CA  
1460 C  C   . VAL C 27 ? 0.24740 0.22370 0.28240 -0.00990 -0.00250 -0.00460 25  VAL C C   
1461 O  O   . VAL C 27 ? 0.23840 0.21170 0.27290 -0.00930 -0.00290 -0.00720 25  VAL C O   
1462 C  CB  . VAL C 27 ? 0.19640 0.17920 0.22660 -0.00460 -0.00160 0.00020  25  VAL C CB  
1463 C  CG1 . VAL C 27 ? 0.22040 0.20030 0.25010 -0.00310 -0.00210 -0.00040 25  VAL C CG1 
1464 C  CG2 . VAL C 27 ? 0.16330 0.14940 0.18810 -0.00130 -0.00150 0.00070  25  VAL C CG2 
1465 N  N   . ASN C 28 ? 0.23940 0.21510 0.27790 -0.01260 -0.00220 -0.00240 26  ASN C N   
1466 C  CA  A ASN C 28 ? 0.27200 0.24090 0.31280 -0.01480 -0.00260 -0.00360 26  ASN C CA  
1467 C  CA  B ASN C 28 ? 0.25780 0.22670 0.29860 -0.01480 -0.00260 -0.00350 26  ASN C CA  
1468 C  C   . ASN C 28 ? 0.26760 0.23670 0.31070 -0.01950 -0.00340 -0.00430 26  ASN C C   
1469 O  O   . ASN C 28 ? 0.25850 0.22960 0.30440 -0.02240 -0.00320 -0.00070 26  ASN C O   
1470 C  CB  A ASN C 28 ? 0.27160 0.23650 0.31350 -0.01390 -0.00190 0.00010  26  ASN C CB  
1471 C  CB  B ASN C 28 ? 0.26740 0.23280 0.30950 -0.01410 -0.00180 0.00070  26  ASN C CB  
1472 C  CG  A ASN C 28 ? 0.29570 0.25110 0.33810 -0.01480 -0.00240 -0.00170 26  ASN C CG  
1473 C  CG  B ASN C 28 ? 0.29280 0.25870 0.33270 -0.00930 -0.00140 0.00170  26  ASN C CG  
1474 O  OD1 A ASN C 28 ? 0.32890 0.28140 0.37060 -0.01570 -0.00320 -0.00630 26  ASN C OD1 
1475 O  OD1 B ASN C 28 ? 0.36230 0.33000 0.40020 -0.00720 -0.00190 -0.00140 26  ASN C OD1 
1476 N  ND2 A ASN C 28 ? 0.35890 0.30870 0.40160 -0.01400 -0.00180 0.00180  26  ASN C ND2 
1477 N  ND2 B ASN C 28 ? 0.32160 0.28630 0.36190 -0.00800 -0.00050 0.00620  26  ASN C ND2 
1478 N  N   . PRO C 29 ? 0.27670 0.24450 0.31880 -0.02070 -0.00440 -0.00880 27  PRO C N   
1479 C  CA  . PRO C 29 ? 0.29060 0.25920 0.33450 -0.02530 -0.00570 -0.01000 27  PRO C CA  
1480 C  C   . PRO C 29 ? 0.28750 0.24850 0.33350 -0.02940 -0.00640 -0.00930 27  PRO C C   
1481 O  O   . PRO C 29 ? 0.26550 0.22810 0.31360 -0.03450 -0.00780 -0.00930 27  PRO C O   
1482 C  CB  . PRO C 29 ? 0.33470 0.30220 0.37580 -0.02470 -0.00650 -0.01520 27  PRO C CB  
1483 C  CG  . PRO C 29 ? 0.30860 0.27220 0.34740 -0.02060 -0.00550 -0.01670 27  PRO C CG  
1484 C  CD  . PRO C 29 ? 0.30490 0.27150 0.34400 -0.01810 -0.00450 -0.01270 27  PRO C CD  
1485 N  N   . ALA C 30 ? 0.29190 0.24460 0.33700 -0.02750 -0.00580 -0.00850 28  ALA C N   
1486 C  CA  . ALA C 30 ? 0.31290 0.25570 0.35870 -0.03110 -0.00650 -0.00750 28  ALA C CA  
1487 C  C   . ALA C 30 ? 0.34010 0.28600 0.38940 -0.03490 -0.00590 -0.00110 28  ALA C C   
1488 O  O   . ALA C 30 ? 0.34630 0.28490 0.39670 -0.04020 -0.00690 0.00020  28  ALA C O   
1489 C  CB  . ALA C 30 ? 0.32190 0.25430 0.36490 -0.02660 -0.00590 -0.00840 28  ALA C CB  
1490 N  N   . LYS C 31 ? 0.26330 0.21960 0.31400 -0.03260 -0.00440 0.00280  29  LYS C N   
1491 C  CA  . LYS C 31 ? 0.27390 0.23470 0.32760 -0.03490 -0.00320 0.00960  29  LYS C CA  
1492 C  C   . LYS C 31 ? 0.27890 0.25450 0.33530 -0.03600 -0.00280 0.01160  29  LYS C C   
1493 O  O   . LYS C 31 ? 0.23070 0.21460 0.28660 -0.03200 -0.00100 0.01490  29  LYS C O   
1494 C  CB  . LYS C 31 ? 0.30200 0.26130 0.35370 -0.02940 -0.00140 0.01310  29  LYS C CB  
1495 C  CG  . LYS C 31 ? 0.35940 0.30470 0.40850 -0.02760 -0.00170 0.01180  29  LYS C CG  
1496 C  CD  . LYS C 31 ? 0.38800 0.33240 0.43550 -0.02290 -0.00010 0.01650  29  LYS C CD  
1497 C  CE  . LYS C 31 ? 0.42880 0.35940 0.47340 -0.02020 -0.00040 0.01540  29  LYS C CE  
1498 N  NZ  . LYS C 31 ? 0.48980 0.42010 0.53270 -0.01520 0.00090  0.02050  29  LYS C NZ  
1499 N  N   . THR C 32 ? 0.24610 0.22550 0.30500 -0.04100 -0.00450 0.00960  30  THR C N   
1500 C  CA  . THR C 32 ? 0.24140 0.23600 0.30300 -0.04140 -0.00420 0.01160  30  THR C CA  
1501 C  C   . THR C 32 ? 0.19280 0.19520 0.25950 -0.04630 -0.00330 0.01850  30  THR C C   
1502 O  O   . THR C 32 ? 0.22270 0.21740 0.29050 -0.04980 -0.00290 0.02180  30  THR C O   
1503 C  CB  . THR C 32 ? 0.24230 0.23990 0.30450 -0.04450 -0.00660 0.00700  30  THR C CB  
1504 O  OG1 . THR C 32 ? 0.24700 0.24110 0.31260 -0.05280 -0.00860 0.00730  30  THR C OG1 
1505 C  CG2 . THR C 32 ? 0.25910 0.24770 0.31610 -0.04070 -0.00740 0.00050  30  THR C CG2 
1506 N  N   . LEU C 33 ? 0.19240 0.21060 0.26220 -0.04640 -0.00280 0.02100  31  LEU C N   
1507 C  CA  . LEU C 33 ? 0.22890 0.25850 0.30460 -0.05150 -0.00180 0.02780  31  LEU C CA  
1508 C  C   . LEU C 33 ? 0.24310 0.27650 0.32410 -0.06090 -0.00460 0.02720  31  LEU C C   
1509 O  O   . LEU C 33 ? 0.21310 0.25990 0.30010 -0.06610 -0.00420 0.03270  31  LEU C O   
1510 C  CB  . LEU C 33 ? 0.20240 0.24930 0.27850 -0.04520 0.00050  0.03140  31  LEU C CB  
1511 C  CG  . LEU C 33 ? 0.17010 0.21330 0.23970 -0.03570 0.00270  0.03100  31  LEU C CG  
1512 C  CD1 . LEU C 33 ? 0.17940 0.23870 0.24860 -0.02980 0.00510  0.03500  31  LEU C CD1 
1513 C  CD2 . LEU C 33 ? 0.21640 0.24870 0.28450 -0.03600 0.00380  0.03350  31  LEU C CD2 
1514 N  N   . GLN C 34 ? 0.25970 0.28260 0.33830 -0.06320 -0.00750 0.02060  32  GLN C N   
1515 C  CA  . GLN C 34 ? 0.24500 0.26950 0.32740 -0.07250 -0.01080 0.01900  32  GLN C CA  
1516 C  C   . GLN C 34 ? 0.27430 0.28830 0.35890 -0.08140 -0.01160 0.02220  32  GLN C C   
1517 O  O   . GLN C 34 ? 0.32720 0.32660 0.40830 -0.07950 -0.01030 0.02320  32  GLN C O   
1518 C  CB  . GLN C 34 ? 0.30680 0.32200 0.38450 -0.07140 -0.01350 0.01060  32  GLN C CB  
1519 C  CG  . GLN C 34 ? 0.28570 0.31040 0.36090 -0.06360 -0.01300 0.00790  32  GLN C CG  
1520 C  CD  . GLN C 34 ? 0.44090 0.45380 0.50980 -0.06020 -0.01430 0.00050  32  GLN C CD  
1521 O  OE1 . GLN C 34 ? 0.46030 0.45840 0.52660 -0.06300 -0.01560 -0.00300 32  GLN C OE1 
1522 N  NE2 . GLN C 34 ? 0.49660 0.51580 0.56250 -0.05380 -0.01380 -0.00160 32  GLN C NE2 
1523 N  N   . LYS C 35 ? 0.32760 0.34940 0.41790 -0.09140 -0.01400 0.02410  33  LYS C N   
1524 C  CA  . LYS C 35 ? 0.33840 0.35100 0.43110 -0.10170 -0.01500 0.02800  33  LYS C CA  
1525 C  C   . LYS C 35 ? 0.34020 0.32600 0.42570 -0.10190 -0.01630 0.02330  33  LYS C C   
1526 O  O   . LYS C 35 ? 0.38290 0.35650 0.46710 -0.10370 -0.01500 0.02760  33  LYS C O   
1527 C  CB  . LYS C 35 ? 0.38710 0.41020 0.48590 -0.11320 -0.01880 0.02820  33  LYS C CB  
1528 C  CG  . LYS C 35 ? 0.43880 0.45230 0.53790 -0.12200 -0.01910 0.03070  33  LYS C CG  
1529 C  CD  . LYS C 35 ? 0.46280 0.48690 0.56580 -0.12960 -0.02200 0.02870  33  LYS C CD  
1530 C  CE  . LYS C 35 ? 0.54470 0.56270 0.64930 -0.13820 -0.02170 0.03260  33  LYS C CE  
1531 N  NZ  . LYS C 35 ? 0.58190 0.57080 0.67850 -0.13930 -0.02220 0.02890  33  LYS C NZ  
1532 N  N   . ALA C 36 ? 0.35600 0.33270 0.43650 -0.09940 -0.01880 0.01480  34  ALA C N   
1533 C  CA  . ALA C 36 ? 0.39990 0.35200 0.47320 -0.09870 -0.02000 0.00990  34  ALA C CA  
1534 C  C   . ALA C 36 ? 0.38200 0.32510 0.45130 -0.08960 -0.01650 0.01210  34  ALA C C   
1535 O  O   . ALA C 36 ? 0.42160 0.34710 0.48730 -0.09070 -0.01630 0.01340  34  ALA C O   
1536 C  CB  . ALA C 36 ? 0.38560 0.33290 0.45390 -0.09610 -0.02270 0.00060  34  ALA C CB  
1537 N  N   . ASP C 37 ? 0.36640 0.32110 0.43580 -0.08050 -0.01380 0.01250  35  ASP C N   
1538 C  CA  . ASP C 37 ? 0.37840 0.32640 0.44420 -0.07200 -0.01080 0.01410  35  ASP C CA  
1539 C  C   . ASP C 37 ? 0.35330 0.30300 0.42170 -0.07370 -0.00840 0.02290  35  ASP C C   
1540 O  O   . ASP C 37 ? 0.36780 0.30430 0.43250 -0.07080 -0.00730 0.02480  35  ASP C O   
1541 C  CB  . ASP C 37 ? 0.31410 0.27330 0.37880 -0.06290 -0.00910 0.01210  35  ASP C CB  
1542 C  CG  . ASP C 37 ? 0.40530 0.35910 0.46560 -0.05930 -0.01070 0.00400  35  ASP C CG  
1543 O  OD1 . ASP C 37 ? 0.45690 0.39740 0.51430 -0.06230 -0.01290 -0.00050 35  ASP C OD1 
1544 O  OD2 . ASP C 37 ? 0.33460 0.29720 0.39390 -0.05340 -0.00970 0.00220  35  ASP C OD2 
1545 N  N   . LEU C 38 ? 0.34080 0.30770 0.41530 -0.07780 -0.00750 0.02860  36  LEU C N   
1546 C  CA  . LEU C 38 ? 0.33660 0.30640 0.41360 -0.07990 -0.00490 0.03750  36  LEU C CA  
1547 C  C   . LEU C 38 ? 0.38550 0.33700 0.46120 -0.08790 -0.00630 0.03980  36  LEU C C   
1548 O  O   . LEU C 38 ? 0.36440 0.30660 0.43750 -0.08590 -0.00440 0.04480  36  LEU C O   
1549 C  CB  . LEU C 38 ? 0.36190 0.35470 0.44610 -0.08370 -0.00380 0.04330  36  LEU C CB  
1550 C  CG  . LEU C 38 ? 0.30440 0.31490 0.38890 -0.07500 -0.00200 0.04220  36  LEU C CG  
1551 C  CD1 . LEU C 38 ? 0.29050 0.32390 0.38210 -0.07850 -0.00080 0.04830  36  LEU C CD1 
1552 C  CD2 . LEU C 38 ? 0.26460 0.27200 0.34400 -0.06470 0.00090  0.04330  36  LEU C CD2 
1553 N  N   . ASP C 39 ? 0.41060 0.35560 0.48720 -0.09680 -0.01000 0.03600  37  ASP C N   
1554 C  CA  . ASP C 39 ? 0.43330 0.35780 0.50660 -0.10430 -0.01170 0.03700  37  ASP C CA  
1555 C  C   . ASP C 39 ? 0.39470 0.29620 0.45980 -0.09720 -0.01160 0.03370  37  ASP C C   
1556 O  O   . ASP C 39 ? 0.41830 0.30620 0.47930 -0.09710 -0.01000 0.03780  37  ASP C O   
1557 C  CB  . ASP C 39 ? 0.41820 0.34140 0.49090 -0.11140 -0.01470 0.03020  37  ASP C CB  
1558 C  CG  . ASP C 39 ? 0.52410 0.46750 0.60470 -0.11950 -0.01480 0.03470  37  ASP C CG  
1559 O  OD1 . ASP C 39 ? 0.55930 0.51280 0.64420 -0.12110 -0.01190 0.04340  37  ASP C OD1 
1560 O  OD2 . ASP C 39 ? 0.55140 0.50150 0.63390 -0.12390 -0.01750 0.02950  37  ASP C OD2 
1561 N  N   . GLN C 40 ? 0.41070 0.30980 0.47170 -0.08910 -0.01220 0.02550  38  GLN C N   
1562 C  CA  . GLN C 40 ? 0.40420 0.28390 0.45740 -0.08140 -0.01210 0.02160  38  GLN C CA  
1563 C  C   . GLN C 40 ? 0.44480 0.32320 0.49660 -0.07430 -0.00860 0.02810  38  GLN C C   
1564 O  O   . GLN C 40 ? 0.47890 0.33870 0.52520 -0.07210 -0.00840 0.02940  38  GLN C O   
1565 C  CB  . GLN C 40 ? 0.42100 0.30420 0.47150 -0.07360 -0.01260 0.01300  38  GLN C CB  
1566 C  CG  . GLN C 40 ? 0.43600 0.30330 0.47920 -0.06450 -0.01200 0.00910  38  GLN C CG  
1567 C  CD  . GLN C 40 ? 0.46250 0.33540 0.50370 -0.05750 -0.01230 0.00150  38  GLN C CD  
1568 O  OE1 . GLN C 40 ? 0.48760 0.37300 0.53180 -0.05980 -0.01330 -0.00160 38  GLN C OE1 
1569 N  NE2 . GLN C 40 ? 0.51220 0.37640 0.54830 -0.04860 -0.01120 -0.00120 38  GLN C NE2 
1570 N  N   . TYR C 41 ? 0.42310 0.32070 0.47910 -0.07030 -0.00600 0.03210  39  TYR C N   
1571 C  CA  . TYR C 41 ? 0.39420 0.29290 0.44830 -0.06240 -0.00290 0.03730  39  TYR C CA  
1572 C  C   . TYR C 41 ? 0.40020 0.30370 0.45730 -0.06710 -0.00080 0.04740  39  TYR C C   
1573 O  O   . TYR C 41 ? 0.43970 0.34790 0.49560 -0.06070 0.00180  0.05230  39  TYR C O   
1574 C  CB  . TYR C 41 ? 0.39570 0.31050 0.45060 -0.05390 -0.00150 0.03460  39  TYR C CB  
1575 C  CG  . TYR C 41 ? 0.40440 0.31470 0.45610 -0.04900 -0.00310 0.02560  39  TYR C CG  
1576 C  CD1 . TYR C 41 ? 0.45010 0.34620 0.49630 -0.04290 -0.00330 0.02250  39  TYR C CD1 
1577 C  CD2 . TYR C 41 ? 0.37210 0.29320 0.42600 -0.05010 -0.00430 0.02050  39  TYR C CD2 
1578 C  CE1 . TYR C 41 ? 0.41160 0.30550 0.45530 -0.03840 -0.00440 0.01480  39  TYR C CE1 
1579 C  CE2 . TYR C 41 ? 0.38760 0.30520 0.43840 -0.04580 -0.00550 0.01290  39  TYR C CE2 
1580 C  CZ  . TYR C 41 ? 0.41880 0.32330 0.46470 -0.04020 -0.00540 0.01010  39  TYR C CZ  
1581 O  OH  . TYR C 41 ? 0.43870 0.34150 0.48180 -0.03590 -0.00630 0.00300  39  TYR C OH  
1582 N  N   . GLY C 42 ? 0.43230 0.33500 0.49310 -0.07840 -0.00200 0.05080  40  GLY C N   
1583 C  CA  . GLY C 42 ? 0.44080 0.34880 0.50480 -0.08370 0.00020  0.06120  40  GLY C CA  
1584 C  C   . GLY C 42 ? 0.42950 0.36310 0.49870 -0.08080 0.00310  0.06590  40  GLY C C   
1585 O  O   . GLY C 42 ? 0.43500 0.37400 0.50460 -0.07960 0.00610  0.07430  40  GLY C O   
1586 N  N   . MET C 43 ? 0.39650 0.34580 0.46910 -0.07900 0.00240  0.06080  41  MET C N   
1587 C  CA  . MET C 43 ? 0.35490 0.32700 0.43080 -0.07420 0.00510  0.06400  41  MET C CA  
1588 C  C   . MET C 43 ? 0.35930 0.35010 0.44290 -0.08210 0.00490  0.06690  41  MET C C   
1589 O  O   . MET C 43 ? 0.31140 0.32200 0.39750 -0.07740 0.00680  0.06840  41  MET C O   
1590 C  CB  . MET C 43 ? 0.30570 0.28170 0.37820 -0.06400 0.00480  0.05640  41  MET C CB  
1591 C  CG  . MET C 43 ? 0.32090 0.28400 0.38680 -0.05540 0.00540  0.05440  41  MET C CG  
1592 S  SD  . MET C 43 ? 0.32880 0.29960 0.39260 -0.04910 0.00920  0.06300  41  MET C SD  
1593 C  CE  . MET C 43 ? 0.28350 0.27810 0.34940 -0.04420 0.01070  0.06220  41  MET C CE  
1594 N  N   . ALA C 44 ? 0.31420 0.29950 0.40130 -0.09380 0.00240  0.06760  42  ALA C N   
1595 C  CA  . ALA C 44 ? 0.35770 0.36190 0.45280 -0.10200 0.00140  0.06970  42  ALA C CA  
1596 C  C   . ALA C 44 ? 0.34450 0.36230 0.44530 -0.10810 0.00430  0.08090  42  ALA C C   
1597 O  O   . ALA C 44 ? 0.38170 0.40280 0.48510 -0.11680 0.00320  0.08180  42  ALA C O   
1598 C  CB  . ALA C 44 ? 0.36490 0.35790 0.46070 -0.11190 -0.00320 0.06400  42  ALA C CB  
1599 N  N   . SER C 45 ? 0.30710 0.33220 0.40590 -0.09980 0.00840  0.08640  43  SER C N   
1600 C  CA  . SER C 45 ? 0.30580 0.34590 0.40920 -0.10380 0.01180  0.09740  43  SER C CA  
1601 C  C   . SER C 45 ? 0.25790 0.31750 0.36040 -0.09210 0.01580  0.09980  43  SER C C   
1602 O  O   . SER C 45 ? 0.26190 0.31680 0.35810 -0.08090 0.01600  0.09370  43  SER C O   
1603 C  CB  . SER C 45 ? 0.33880 0.36000 0.43680 -0.10630 0.01290  0.10220  43  SER C CB  
1604 O  OG  . SER C 45 ? 0.36350 0.37420 0.45550 -0.09670 0.01470  0.10310  43  SER C OG  
1605 N  N   . ILE C 46 ? 0.27880 0.36040 0.38710 -0.09480 0.01900  0.10870  44  ILE C N   
1606 C  CA  . ILE C 46 ? 0.25470 0.35480 0.36100 -0.08320 0.02300  0.11150  44  ILE C CA  
1607 C  C   . ILE C 46 ? 0.27400 0.36090 0.37160 -0.07450 0.02510  0.11280  44  ILE C C   
1608 O  O   . ILE C 46 ? 0.25450 0.34360 0.34610 -0.06250 0.02610  0.10850  44  ILE C O   
1609 C  CB  . ILE C 46 ? 0.30730 0.43230 0.41990 -0.08690 0.02600  0.12020  44  ILE C CB  
1610 C  CG1 . ILE C 46 ? 0.30270 0.44260 0.42200 -0.09180 0.02330  0.11630  44  ILE C CG1 
1611 C  CG2 . ILE C 46 ? 0.30320 0.44610 0.41310 -0.07520 0.03090  0.12510  44  ILE C CG2 
1612 C  CD1 . ILE C 46 ? 0.24140 0.39180 0.36120 -0.08370 0.02290  0.11060  44  ILE C CD1 
1613 N  N   . GLU C 47 ? 0.27910 0.35160 0.37550 -0.08060 0.02560  0.11890  45  GLU C N   
1614 C  CA  . GLU C 47 ? 0.29130 0.35290 0.37960 -0.07230 0.02760  0.12130  45  GLU C CA  
1615 C  C   . GLU C 47 ? 0.29140 0.33560 0.37250 -0.06380 0.02500  0.11100  45  GLU C C   
1616 O  O   . GLU C 47 ? 0.27320 0.31860 0.34790 -0.05280 0.02630  0.10950  45  GLU C O   
1617 C  CB  . GLU C 47 ? 0.35090 0.39820 0.43880 -0.08080 0.02830  0.12980  45  GLU C CB  
1618 C  CG  . GLU C 47 ? 0.40930 0.44280 0.48830 -0.07200 0.02980  0.13190  45  GLU C CG  
1619 C  CD  . GLU C 47 ? 0.55510 0.57190 0.63160 -0.07870 0.03020  0.13890  45  GLU C CD  
1620 O  OE1 . GLU C 47 ? 0.54750 0.54810 0.62440 -0.08760 0.02710  0.13530  45  GLU C OE1 
1621 O  OE2 . GLU C 47 ? 0.58240 0.60150 0.65430 -0.07370 0.03330  0.14600  45  GLU C OE2 
1622 N  N   . ALA C 48 ? 0.27840 0.30680 0.36010 -0.06880 0.02110  0.10390  46  ALA C N   
1623 C  CA  . ALA C 48 ? 0.28910 0.30170 0.36450 -0.06130 0.01870  0.09480  46  ALA C CA  
1624 C  C   . ALA C 48 ? 0.25360 0.27830 0.32730 -0.05230 0.01860  0.08790  46  ALA C C   
1625 O  O   . ALA C 48 ? 0.23590 0.25620 0.30340 -0.04290 0.01870  0.08420  46  ALA C O   
1626 C  CB  . ALA C 48 ? 0.35970 0.35380 0.43570 -0.06860 0.01480  0.08890  46  ALA C CB  
1627 N  N   . ILE C 49 ? 0.25990 0.30010 0.33890 -0.05500 0.01820  0.08640  47  ILE C N   
1628 C  CA  . ILE C 49 ? 0.22350 0.27480 0.30030 -0.04620 0.01830  0.08060  47  ILE C CA  
1629 C  C   . ILE C 49 ? 0.22280 0.28500 0.29500 -0.03690 0.02170  0.08470  47  ILE C C   
1630 O  O   . ILE C 49 ? 0.19480 0.25460 0.26050 -0.02770 0.02140  0.07940  47  ILE C O   
1631 C  CB  . ILE C 49 ? 0.24250 0.30950 0.32580 -0.05060 0.01750  0.07950  47  ILE C CB  
1632 C  CG1 . ILE C 49 ? 0.21400 0.26950 0.30040 -0.05900 0.01360  0.07400  47  ILE C CG1 
1633 C  CG2 . ILE C 49 ? 0.22590 0.30370 0.30550 -0.04050 0.01800  0.07460  47  ILE C CG2 
1634 C  CD1 . ILE C 49 ? 0.17550 0.24750 0.26960 -0.06600 0.01250  0.07490  47  ILE C CD1 
1635 N  N   . THR C 50 ? 0.21120 0.28560 0.28630 -0.03950 0.02490  0.09420  48  THR C N   
1636 C  CA  . THR C 50 ? 0.20840 0.29450 0.27870 -0.03050 0.02840  0.09860  48  THR C CA  
1637 C  C   . THR C 50 ? 0.23410 0.30550 0.29610 -0.02370 0.02800  0.09680  48  THR C C   
1638 O  O   . THR C 50 ? 0.18130 0.25630 0.23650 -0.01380 0.02860  0.09370  48  THR C O   
1639 C  CB  . THR C 50 ? 0.26530 0.36590 0.34060 -0.03570 0.03200  0.11000  48  THR C CB  
1640 O  OG1 . THR C 50 ? 0.20100 0.31940 0.28440 -0.04120 0.03240  0.11180  48  THR C OG1 
1641 C  CG2 . THR C 50 ? 0.23000 0.34180 0.29910 -0.02590 0.03580  0.11480  48  THR C CG2 
1642 N  N   . THR C 51 ? 0.22360 0.27800 0.28560 -0.02870 0.02680  0.09840  49  THR C N   
1643 C  CA  . THR C 51 ? 0.23900 0.28070 0.29360 -0.02210 0.02640  0.09730  49  THR C CA  
1644 C  C   . THR C 51 ? 0.21920 0.25450 0.26930 -0.01540 0.02350  0.08690  49  THR C C   
1645 O  O   . THR C 51 ? 0.24880 0.28450 0.29220 -0.00690 0.02370  0.08510  49  THR C O   
1646 C  CB  . THR C 51 ? 0.23880 0.26240 0.29410 -0.02830 0.02540  0.10060  49  THR C CB  
1647 O  OG1 . THR C 51 ? 0.31660 0.34530 0.37480 -0.03430 0.02830  0.11150  49  THR C OG1 
1648 C  CG2 . THR C 51 ? 0.27410 0.28500 0.32210 -0.02060 0.02450  0.09860  49  THR C CG2 
1649 N  N   . GLN C 52 ? 0.21600 0.24550 0.26940 -0.01940 0.02090  0.08010  50  GLN C N   
1650 C  CA  . GLN C 52 ? 0.19790 0.22080 0.24730 -0.01400 0.01830  0.07070  50  GLN C CA  
1651 C  C   . GLN C 52 ? 0.20210 0.23740 0.24800 -0.00720 0.01880  0.06740  50  GLN C C   
1652 O  O   . GLN C 52 ? 0.19390 0.22580 0.23380 -0.00060 0.01750  0.06230  50  GLN C O   
1653 C  CB  . GLN C 52 ? 0.21810 0.23150 0.27120 -0.02000 0.01550  0.06480  50  GLN C CB  
1654 C  CG  . GLN C 52 ? 0.25230 0.25810 0.30140 -0.01510 0.01300  0.05590  50  GLN C CG  
1655 C  CD  . GLN C 52 ? 0.24690 0.23810 0.29770 -0.01950 0.01060  0.05150  50  GLN C CD  
1656 O  OE1 . GLN C 52 ? 0.28220 0.26280 0.33340 -0.02260 0.01060  0.05480  50  GLN C OE1 
1657 N  NE2 . GLN C 52 ? 0.24120 0.23110 0.29210 -0.01950 0.00870  0.04420  50  GLN C NE2 
1658 N  N   . VAL C 53 ? 0.17190 0.22160 0.22120 -0.00860 0.02050  0.07020  51  VAL C N   
1659 C  CA  . VAL C 53 ? 0.15180 0.21250 0.19640 -0.00080 0.02130  0.06760  51  VAL C CA  
1660 C  C   . VAL C 53 ? 0.18820 0.25190 0.22550 0.00700  0.02300  0.07030  51  VAL C C   
1661 O  O   . VAL C 53 ? 0.17610 0.23840 0.20590 0.01430  0.02200  0.06510  51  VAL C O   
1662 C  CB  . VAL C 53 ? 0.17310 0.25080 0.22310 -0.00300 0.02320  0.07130  51  VAL C CB  
1663 C  CG1 . VAL C 53 ? 0.14800 0.23750 0.19180 0.00670  0.02480  0.07000  51  VAL C CG1 
1664 C  CG2 . VAL C 53 ? 0.15710 0.23240 0.21300 -0.00950 0.02080  0.06710  51  VAL C CG2 
1665 N  N   . THR C 54 ? 0.17560 0.24230 0.21420 0.00510  0.02540  0.07860  52  THR C N   
1666 C  CA  . THR C 54 ? 0.16690 0.23840 0.19820 0.01260  0.02740  0.08220  52  THR C CA  
1667 C  C   . THR C 54 ? 0.21400 0.27240 0.23880 0.01690  0.02470  0.07730  52  THR C C   
1668 O  O   . THR C 54 ? 0.21070 0.27160 0.22750 0.02470  0.02430  0.07430  52  THR C O   
1669 C  CB  . THR C 54 ? 0.18700 0.26460 0.22160 0.00880  0.03070  0.09300  52  THR C CB  
1670 O  OG1 . THR C 54 ? 0.19660 0.28920 0.23800 0.00440  0.03320  0.09800  52  THR C OG1 
1671 C  CG2 . THR C 54 ? 0.21440 0.29820 0.24090 0.01720  0.03290  0.09710  52  THR C CG2 
1672 N  N   . ASN C 55 ? 0.21250 0.25750 0.24060 0.01210  0.02280  0.07640  53  ASN C N   
1673 C  CA  . ASN C 55 ? 0.23920 0.27390 0.26230 0.01600  0.02070  0.07370  53  ASN C CA  
1674 C  C   . ASN C 55 ? 0.23440 0.26050 0.25670 0.01650  0.01710  0.06410  53  ASN C C   
1675 O  O   . ASN C 55 ? 0.26560 0.28660 0.28340 0.02060  0.01520  0.06110  53  ASN C O   
1676 C  CB  . ASN C 55 ? 0.25880 0.28360 0.28480 0.01180  0.02110  0.07940  53  ASN C CB  
1677 C  CG  . ASN C 55 ? 0.31940 0.35120 0.34530 0.01130  0.02460  0.08980  53  ASN C CG  
1678 O  OD1 . ASN C 55 ? 0.30960 0.35440 0.33180 0.01600  0.02680  0.09270  53  ASN C OD1 
1679 N  ND2 . ASN C 55 ? 0.35150 0.37410 0.38070 0.00560  0.02530  0.09570  53  ASN C ND2 
1680 N  N   . GLY C 56 ? 0.22030 0.24570 0.24700 0.01220  0.01620  0.05980  54  GLY C N   
1681 C  CA  . GLY C 56 ? 0.21130 0.22820 0.23790 0.01160  0.01320  0.05160  54  GLY C CA  
1682 C  C   . GLY C 56 ? 0.24000 0.24500 0.27000 0.00800  0.01190  0.05140  54  GLY C C   
1683 O  O   . GLY C 56 ? 0.26290 0.26430 0.29410 0.00640  0.01320  0.05750  54  GLY C O   
1684 N  N   . LYS C 57 ? 0.20280 0.20120 0.23350 0.00700  0.00950  0.04450  55  LYS C N   
1685 C  CA  . LYS C 57 ? 0.23310 0.22020 0.26560 0.00530  0.00830  0.04320  55  LYS C CA  
1686 C  C   . LYS C 57 ? 0.25310 0.23720 0.28510 0.00610  0.00590  0.03530  55  LYS C C   
1687 O  O   . LYS C 57 ? 0.22410 0.21000 0.25750 0.00350  0.00540  0.03130  55  LYS C O   
1688 C  CB  . LYS C 57 ? 0.27000 0.25080 0.30760 -0.00150 0.00890  0.04590  55  LYS C CB  
1689 C  CG  . LYS C 57 ? 0.26060 0.22800 0.29890 -0.00250 0.00750  0.04320  55  LYS C CG  
1690 C  CD  . LYS C 57 ? 0.31510 0.27390 0.35670 -0.00940 0.00790  0.04640  55  LYS C CD  
1691 C  CE  . LYS C 57 ? 0.39540 0.33910 0.43580 -0.00890 0.00650  0.04360  55  LYS C CE  
1692 N  NZ  . LYS C 57 ? 0.46220 0.39440 0.50430 -0.01580 0.00640  0.04650  55  LYS C NZ  
1693 N  N   . GLY C 58 ? 0.30940 0.28970 0.33940 0.00970  0.00460  0.03340  56  GLY C N   
1694 C  CA  . GLY C 58 ? 0.23930 0.21800 0.26920 0.01000  0.00260  0.02650  56  GLY C CA  
1695 C  C   . GLY C 58 ? 0.23920 0.22450 0.26610 0.01070  0.00170  0.02290  56  GLY C C   
1696 O  O   . GLY C 58 ? 0.25330 0.24400 0.27590 0.01420  0.00170  0.02410  56  GLY C O   
1697 N  N   . ALA C 59 ? 0.21030 0.19430 0.23870 0.00770  0.00100  0.01820  57  ALA C N   
1698 C  CA  . ALA C 59 ? 0.19930 0.18710 0.22420 0.00830  0.00020  0.01470  57  ALA C CA  
1699 C  C   . ALA C 59 ? 0.19850 0.19120 0.22230 0.00840  0.00170  0.01730  57  ALA C C   
1700 O  O   . ALA C 59 ? 0.20290 0.19810 0.22230 0.01020  0.00120  0.01480  57  ALA C O   
1701 C  CB  . ALA C 59 ? 0.21190 0.19650 0.23830 0.00530  -0.00100 0.00930  57  ALA C CB  
1702 N  N   . MET C 60 ? 0.17330 0.16790 0.20080 0.00660  0.00360  0.02240  58  MET C N   
1703 C  CA  . MET C 60 ? 0.19100 0.19330 0.21810 0.00710  0.00530  0.02560  58  MET C CA  
1704 C  C   . MET C 60 ? 0.20060 0.20830 0.22250 0.01240  0.00640  0.02900  58  MET C C   
1705 O  O   . MET C 60 ? 0.20950 0.21650 0.23170 0.01330  0.00710  0.03310  58  MET C O   
1706 C  CB  . MET C 60 ? 0.17880 0.18250 0.21230 0.00210  0.00680  0.03020  58  MET C CB  
1707 C  CG  . MET C 60 ? 0.17600 0.19060 0.21000 0.00270  0.00890  0.03420  58  MET C CG  
1708 S  SD  . MET C 60 ? 0.15000 0.16800 0.19250 -0.00520 0.00980  0.03840  58  MET C SD  
1709 C  CE  . MET C 60 ? 0.14260 0.17540 0.18520 -0.00280 0.01310  0.04630  58  MET C CE  
1710 N  N   . PRO C 61 ? 0.16410 0.17680 0.18050 0.01640  0.00660  0.02750  59  PRO C N   
1711 C  CA  . PRO C 61 ? 0.16670 0.18460 0.17690 0.02210  0.00750  0.03030  59  PRO C CA  
1712 C  C   . PRO C 61 ? 0.19360 0.21970 0.20690 0.02200  0.01070  0.03810  59  PRO C C   
1713 O  O   . PRO C 61 ? 0.18450 0.21410 0.20440 0.01750  0.01220  0.04110  59  PRO C O   
1714 C  CB  . PRO C 61 ? 0.20190 0.22140 0.20500 0.02640  0.00690  0.02620  59  PRO C CB  
1715 C  CG  . PRO C 61 ? 0.23480 0.25310 0.24200 0.02280  0.00670  0.02360  59  PRO C CG  
1716 C  CD  . PRO C 61 ? 0.18070 0.19330 0.19530 0.01660  0.00580  0.02300  59  PRO C CD  
1717 N  N   . ALA C 62 ? 0.17190 0.20200 0.18020 0.02670  0.01170  0.04140  60  ALA C N   
1718 C  CA  . ALA C 62 ? 0.16420 0.20380 0.17390 0.02760  0.01510  0.04930  60  ALA C CA  
1719 C  C   . ALA C 62 ? 0.22410 0.27410 0.22950 0.03250  0.01690  0.04960  60  ALA C C   
1720 O  O   . ALA C 62 ? 0.23200 0.28030 0.22940 0.03790  0.01550  0.04410  60  ALA C O   
1721 C  CB  . ALA C 62 ? 0.20250 0.24220 0.20780 0.03130  0.01540  0.05310  60  ALA C CB  
1722 N  N   . PHE C 63 ? 0.15950 0.22030 0.17000 0.03080  0.02010  0.05600  61  PHE C N   
1723 C  CA  . PHE C 63 ? 0.16020 0.23330 0.16720 0.03640  0.02240  0.05710  61  PHE C CA  
1724 C  C   . PHE C 63 ? 0.16620 0.25190 0.17160 0.04000  0.02620  0.06520  61  PHE C C   
1725 O  O   . PHE C 63 ? 0.22170 0.31970 0.22410 0.04550  0.02860  0.06690  61  PHE C O   
1726 C  CB  . PHE C 63 ? 0.16220 0.24130 0.17680 0.03200  0.02300  0.05740  61  PHE C CB  
1727 C  CG  . PHE C 63 ? 0.15090 0.21950 0.16530 0.03010  0.01970  0.04950  61  PHE C CG  
1728 C  CD1 . PHE C 63 ? 0.14680 0.20490 0.16710 0.02270  0.01750  0.04740  61  PHE C CD1 
1729 C  CD2 . PHE C 63 ? 0.22580 0.29430 0.23340 0.03620  0.01890  0.04430  61  PHE C CD2 
1730 C  CE1 . PHE C 63 ? 0.16860 0.21790 0.18850 0.02120  0.01470  0.04040  61  PHE C CE1 
1731 C  CE2 . PHE C 63 ? 0.20310 0.26160 0.21020 0.03420  0.01600  0.03760  61  PHE C CE2 
1732 C  CZ  . PHE C 63 ? 0.17370 0.22340 0.18720 0.02660  0.01400  0.03590  61  PHE C CZ  
1733 N  N   . GLY C 64 ? 0.16600 0.24920 0.17280 0.03750  0.02690  0.07040  62  GLY C N   
1734 C  CA  . GLY C 64 ? 0.18610 0.28190 0.19250 0.03960  0.03080  0.07950  62  GLY C CA  
1735 C  C   . GLY C 64 ? 0.23870 0.34270 0.23400 0.05030  0.03220  0.07870  62  GLY C C   
1736 O  O   . GLY C 64 ? 0.21510 0.33380 0.20970 0.05350  0.03620  0.08560  62  GLY C O   
1737 N  N   . SER C 65 ? 0.22720 0.32180 0.21310 0.05580  0.02890  0.07030  63  SER C N   
1738 C  CA  . SER C 65 ? 0.25890 0.35900 0.23240 0.06620  0.02960  0.06830  63  SER C CA  
1739 C  C   . SER C 65 ? 0.28610 0.38810 0.25480 0.07150  0.02940  0.06260  63  SER C C   
1740 O  O   . SER C 65 ? 0.33340 0.44040 0.29120 0.08090  0.03040  0.06090  63  SER C O   
1741 C  CB  . SER C 65 ? 0.29060 0.37960 0.25490 0.06950  0.02580  0.06300  63  SER C CB  
1742 O  OG  . SER C 65 ? 0.39320 0.46920 0.35630 0.06740  0.02150  0.05390  63  SER C OG  
1743 N  N   . LYS C 66 ? 0.23790 0.33610 0.21370 0.06620  0.02820  0.05950  64  LYS C N   
1744 C  CA  . LYS C 66 ? 0.25560 0.35500 0.22720 0.07120  0.02790  0.05460  64  LYS C CA  
1745 C  C   . LYS C 66 ? 0.30000 0.41680 0.27890 0.07130  0.03190  0.06070  64  LYS C C   
1746 O  O   . LYS C 66 ? 0.39120 0.51500 0.36400 0.07950  0.03330  0.05910  64  LYS C O   
1747 C  CB  . LYS C 66 ? 0.27290 0.35780 0.24690 0.06590  0.02390  0.04730  64  LYS C CB  
1748 C  CG  . LYS C 66 ? 0.35970 0.42870 0.32980 0.06330  0.01980  0.04160  64  LYS C CG  
1749 C  CD  . LYS C 66 ? 0.40310 0.46080 0.37710 0.05770  0.01660  0.03570  64  LYS C CD  
1750 C  CE  . LYS C 66 ? 0.42930 0.47510 0.40440 0.05260  0.01320  0.03240  64  LYS C CE  
1751 N  NZ  . LYS C 66 ? 0.42260 0.45970 0.40330 0.04630  0.01090  0.02810  64  LYS C NZ  
1752 N  N   . LEU C 67 ? 0.22520 0.34920 0.21680 0.06240  0.03360  0.06760  65  LEU C N   
1753 C  CA  . LEU C 67 ? 0.22170 0.36320 0.22220 0.06030  0.03680  0.07350  65  LEU C CA  
1754 C  C   . LEU C 67 ? 0.20530 0.36360 0.20930 0.06000  0.04130  0.08390  65  LEU C C   
1755 O  O   . LEU C 67 ? 0.20770 0.36160 0.21210 0.05670  0.04170  0.08780  65  LEU C O   
1756 C  CB  . LEU C 67 ? 0.19980 0.33710 0.21250 0.04890  0.03480  0.07330  65  LEU C CB  
1757 C  CG  . LEU C 67 ? 0.24700 0.36970 0.25690 0.04900  0.03070  0.06380  65  LEU C CG  
1758 C  CD1 . LEU C 67 ? 0.23360 0.35270 0.25490 0.03790  0.02890  0.06390  65  LEU C CD1 
1759 C  CD2 . LEU C 67 ? 0.24770 0.37710 0.25100 0.05830  0.03140  0.06050  65  LEU C CD2 
1760 N  N   . SER C 68 ? 0.23030 0.40880 0.23690 0.06380  0.04500  0.08860  66  SER C N   
1761 C  CA  . SER C 68 ? 0.21930 0.41650 0.23110 0.06220  0.04970  0.09960  66  SER C CA  
1762 C  C   . SER C 68 ? 0.20930 0.40650 0.23520 0.04760  0.04950  0.10580  66  SER C C   
1763 O  O   . SER C 68 ? 0.16830 0.35550 0.20070 0.03970  0.04620  0.10180  66  SER C O   
1764 C  CB  . SER C 68 ? 0.19540 0.41650 0.20770 0.06950  0.05370  0.10340  66  SER C CB  
1765 O  OG  . SER C 68 ? 0.21850 0.44690 0.24180 0.06320  0.05290  0.10350  66  SER C OG  
1766 N  N   . ALA C 69 ? 0.21630 0.42430 0.24610 0.04390  0.05310  0.11600  67  ALA C N   
1767 C  CA  . ALA C 69 ? 0.19070 0.39900 0.23310 0.02970  0.05320  0.12280  67  ALA C CA  
1768 C  C   . ALA C 69 ? 0.18470 0.40610 0.23810 0.02350  0.05290  0.12350  67  ALA C C   
1769 O  O   . ALA C 69 ? 0.17000 0.38230 0.23180 0.01230  0.05000  0.12230  67  ALA C O   
1770 C  CB  . ALA C 69 ? 0.18650 0.40710 0.23060 0.02760  0.05770  0.13480  67  ALA C CB  
1771 N  N   . ASP C 70 ? 0.17260 0.41510 0.22520 0.03150  0.05570  0.12480  68  ASP C N   
1772 C  CA  . ASP C 70 ? 0.16770 0.42460 0.23060 0.02660  0.05520  0.12530  68  ASP C CA  
1773 C  C   . ASP C 70 ? 0.16730 0.40790 0.22910 0.02620  0.05030  0.11470  68  ASP C C   
1774 O  O   . ASP C 70 ? 0.16050 0.40200 0.23220 0.01620  0.04790  0.11430  68  ASP C O   
1775 C  CB  . ASP C 70 ? 0.17260 0.44920 0.23230 0.03700  0.05630  0.12620  68  ASP C CB  
1776 C  CG  . ASP C 70 ? 0.23180 0.52330 0.29570 0.03410  0.05790  0.13540  68  ASP C CG  
1777 O  OD1 . ASP C 70 ? 0.20540 0.49120 0.27470 0.02350  0.05810  0.14100  68  ASP C OD1 
1778 O  OD2 . ASP C 70 ? 0.24840 0.55680 0.30970 0.04270  0.05890  0.13710  68  ASP C OD2 
1779 N  N   . ASP C 71 ? 0.18820 0.41400 0.23770 0.03660  0.04850  0.10590  69  ASP C N   
1780 C  CA  . ASP C 71 ? 0.16030 0.36860 0.20770 0.03600  0.04370  0.09590  69  ASP C CA  
1781 C  C   . ASP C 71 ? 0.17940 0.37140 0.23420 0.02270  0.04030  0.09480  69  ASP C C   
1782 O  O   . ASP C 71 ? 0.15550 0.34360 0.21580 0.01680  0.03730  0.09080  69  ASP C O   
1783 C  CB  . ASP C 71 ? 0.24420 0.43480 0.27700 0.04640  0.04200  0.08760  69  ASP C CB  
1784 C  CG  . ASP C 71 ? 0.30070 0.50080 0.32320 0.06080  0.04400  0.08540  69  ASP C CG  
1785 O  OD1 . ASP C 71 ? 0.28900 0.50720 0.31530 0.06420  0.04590  0.08780  69  ASP C OD1 
1786 O  OD2 . ASP C 71 ? 0.28950 0.47800 0.29920 0.06920  0.04340  0.08080  69  ASP C OD2 
1787 N  N   . ILE C 72 ? 0.15920 0.34060 0.21300 0.01870  0.04060  0.09780  70  ILE C N   
1788 C  CA  . ILE C 72 ? 0.15480 0.31730 0.21290 0.00830  0.03720  0.09570  70  ILE C CA  
1789 C  C   . ILE C 72 ? 0.17570 0.34660 0.24630 -0.00450 0.03740  0.10190  70  ILE C C   
1790 O  O   . ILE C 72 ? 0.16970 0.33010 0.24530 -0.01260 0.03390  0.09790  70  ILE C O   
1791 C  CB  . ILE C 72 ? 0.16810 0.31700 0.22030 0.00940  0.03750  0.09720  70  ILE C CB  
1792 C  CG1 . ILE C 72 ? 0.18350 0.32170 0.22370 0.02020  0.03590  0.08910  70  ILE C CG1 
1793 C  CG2 . ILE C 72 ? 0.20200 0.33310 0.25910 -0.00110 0.03470  0.09660  70  ILE C CG2 
1794 C  CD1 . ILE C 72 ? 0.21580 0.34200 0.24950 0.02240  0.03560  0.08980  70  ILE C CD1 
1795 N  N   . ALA C 73 ? 0.17690 0.36740 0.25260 -0.00660 0.04130  0.11170  71  ALA C N   
1796 C  CA  . ALA C 73 ? 0.16560 0.36660 0.25360 -0.01950 0.04130  0.11800  71  ALA C CA  
1797 C  C   . ALA C 73 ? 0.15680 0.36660 0.25030 -0.02120 0.03890  0.11320  71  ALA C C   
1798 O  O   . ALA C 73 ? 0.16620 0.37100 0.26720 -0.03260 0.03580  0.11220  71  ALA C O   
1799 C  CB  . ALA C 73 ? 0.19490 0.41930 0.28740 -0.02060 0.04630  0.12960  71  ALA C CB  
1800 N  N   . ASP C 74 ? 0.19710 0.41960 0.28620 -0.00970 0.04010  0.11020  72  ASP C N   
1801 C  CA  . ASP C 74 ? 0.14890 0.38210 0.24300 -0.01020 0.03810  0.10660  72  ASP C CA  
1802 C  C   . ASP C 74 ? 0.14200 0.35300 0.23340 -0.01240 0.03310  0.09660  72  ASP C C   
1803 O  O   . ASP C 74 ? 0.15170 0.36500 0.25030 -0.02030 0.03020  0.09480  72  ASP C O   
1804 C  CB  . ASP C 74 ? 0.14670 0.39780 0.23540 0.00410  0.04090  0.10610  72  ASP C CB  
1805 C  CG  . ASP C 74 ? 0.25700 0.53190 0.34820 0.00670  0.04520  0.11550  72  ASP C CG  
1806 O  OD1 . ASP C 74 ? 0.20920 0.48640 0.30690 -0.00390 0.04500  0.12180  72  ASP C OD1 
1807 O  OD2 . ASP C 74 ? 0.25030 0.53530 0.33380 0.02000  0.04710  0.11460  72  ASP C OD2 
1808 N  N   . VAL C 75 ? 0.16180 0.35210 0.24290 -0.00570 0.03200  0.09010  73  VAL C N   
1809 C  CA  . VAL C 75 ? 0.16680 0.33760 0.24570 -0.00800 0.02760  0.08110  73  VAL C CA  
1810 C  C   . VAL C 75 ? 0.15510 0.31280 0.24040 -0.02110 0.02510  0.08160  73  VAL C C   
1811 O  O   . VAL C 75 ? 0.16700 0.31710 0.25500 -0.02660 0.02160  0.07640  73  VAL C O   
1812 C  CB  . VAL C 75 ? 0.15620 0.30950 0.22300 0.00170  0.02680  0.07410  73  VAL C CB  
1813 C  CG1 . VAL C 75 ? 0.14530 0.28340 0.20890 -0.00040 0.02690  0.07530  73  VAL C CG1 
1814 C  CG2 . VAL C 75 ? 0.13360 0.27360 0.19790 0.00170  0.02290  0.06530  73  VAL C CG2 
1815 N  N   . ALA C 76 ? 0.15840 0.31310 0.24540 -0.02620 0.02680  0.08800  74  ALA C N   
1816 C  CA  . ALA C 76 ? 0.19190 0.33360 0.28430 -0.03870 0.02450  0.08910  74  ALA C CA  
1817 C  C   . ALA C 76 ? 0.20590 0.36090 0.30870 -0.04930 0.02310  0.09180  74  ALA C C   
1818 O  O   . ALA C 76 ? 0.21710 0.36060 0.32270 -0.05740 0.01930  0.08740  74  ALA C O   
1819 C  CB  . ALA C 76 ? 0.21280 0.34940 0.30460 -0.04150 0.02700  0.09660  74  ALA C CB  
1820 N  N   . SER C 77 ? 0.15120 0.33150 0.25980 -0.04930 0.02590  0.09890  75  SER C N   
1821 C  CA  . SER C 77 ? 0.19190 0.38840 0.31120 -0.05960 0.02440  0.10170  75  SER C CA  
1822 C  C   . SER C 77 ? 0.22110 0.41830 0.34010 -0.05700 0.02090  0.09340  75  SER C C   
1823 O  O   . SER C 77 ? 0.18780 0.38430 0.31290 -0.06720 0.01720  0.09140  75  SER C O   
1824 C  CB  . SER C 77 ? 0.18750 0.41180 0.31150 -0.05770 0.02800  0.11020  75  SER C CB  
1825 O  OG  . SER C 77 ? 0.26240 0.48400 0.38480 -0.05960 0.03080  0.11720  75  SER C OG  
1826 N  N   . TYR C 78 ? 0.19160 0.38970 0.30300 -0.04360 0.02180  0.08850  76  TYR C N   
1827 C  CA  . TYR C 78 ? 0.14350 0.34120 0.25340 -0.04010 0.01870  0.08100  76  TYR C CA  
1828 C  C   . TYR C 78 ? 0.17370 0.34670 0.28120 -0.04600 0.01440  0.07340  76  TYR C C   
1829 O  O   . TYR C 78 ? 0.21460 0.38880 0.32590 -0.05170 0.01100  0.06970  76  TYR C O   
1830 C  CB  . TYR C 78 ? 0.15100 0.34990 0.25130 -0.02450 0.02050  0.07730  76  TYR C CB  
1831 C  CG  . TYR C 78 ? 0.18460 0.37880 0.28120 -0.02010 0.01740  0.06950  76  TYR C CG  
1832 C  CD1 . TYR C 78 ? 0.19740 0.41180 0.29900 -0.01890 0.01680  0.07060  76  TYR C CD1 
1833 C  CD2 . TYR C 78 ? 0.19760 0.36860 0.28600 -0.01700 0.01530  0.06170  76  TYR C CD2 
1834 C  CE1 . TYR C 78 ? 0.19780 0.40780 0.29550 -0.01460 0.01410  0.06400  76  TYR C CE1 
1835 C  CE2 . TYR C 78 ? 0.19150 0.35810 0.27630 -0.01330 0.01270  0.05530  76  TYR C CE2 
1836 C  CZ  . TYR C 78 ? 0.22590 0.41160 0.31500 -0.01190 0.01210  0.05660  76  TYR C CZ  
1837 O  OH  . TYR C 78 ? 0.26980 0.45100 0.35470 -0.00780 0.00970  0.05070  76  TYR C OH  
1838 N  N   . VAL C 79 ? 0.15430 0.30600 0.25540 -0.04460 0.01460  0.07110  77  VAL C N   
1839 C  CA  . VAL C 79 ? 0.20130 0.33010 0.29940 -0.04860 0.01100  0.06390  77  VAL C CA  
1840 C  C   . VAL C 79 ? 0.24010 0.36520 0.34540 -0.06250 0.00830  0.06530  77  VAL C C   
1841 O  O   . VAL C 79 ? 0.22450 0.34220 0.33040 -0.06720 0.00460  0.05940  77  VAL C O   
1842 C  CB  . VAL C 79 ? 0.19340 0.30290 0.28370 -0.04360 0.01210  0.06210  77  VAL C CB  
1843 C  CG1 . VAL C 79 ? 0.17760 0.26490 0.26630 -0.04940 0.00880  0.05660  77  VAL C CG1 
1844 C  CG2 . VAL C 79 ? 0.17570 0.28430 0.25750 -0.03100 0.01310  0.05780  77  VAL C CG2 
1845 N  N   . LEU C 80 ? 0.21010 0.33920 0.32020 -0.06970 0.01010  0.07320  78  LEU C N   
1846 C  CA  . LEU C 80 ? 0.26980 0.39280 0.38580 -0.08380 0.00720  0.07470  78  LEU C CA  
1847 C  C   . LEU C 80 ? 0.23480 0.37570 0.35840 -0.09040 0.00460  0.07430  78  LEU C C   
1848 O  O   . LEU C 80 ? 0.28910 0.42080 0.41440 -0.09910 0.00040  0.06980  78  LEU C O   
1849 C  CB  . LEU C 80 ? 0.28210 0.40640 0.40150 -0.09040 0.00980  0.08430  78  LEU C CB  
1850 C  CG  . LEU C 80 ? 0.29480 0.40330 0.41660 -0.10430 0.00680  0.08510  78  LEU C CG  
1851 C  CD1 . LEU C 80 ? 0.28410 0.36350 0.39820 -0.10270 0.00450  0.07790  78  LEU C CD1 
1852 C  CD2 . LEU C 80 ? 0.32640 0.43580 0.44870 -0.10840 0.00950  0.09320  78  LEU C CD2 
1853 N  N   . ASP C 81 ? 0.23690 0.40400 0.36480 -0.08550 0.00700  0.07850  79  ASP C N   
1854 C  CA  . ASP C 81 ? 0.24700 0.43340 0.38160 -0.09000 0.00450  0.07810  79  ASP C CA  
1855 C  C   . ASP C 81 ? 0.27130 0.45090 0.40240 -0.08650 0.00080  0.06880  79  ASP C C   
1856 O  O   . ASP C 81 ? 0.29070 0.47210 0.42550 -0.09470 -0.00330 0.06570  79  ASP C O   
1857 C  CB  . ASP C 81 ? 0.21680 0.43040 0.35380 -0.08190 0.00800  0.08370  79  ASP C CB  
1858 C  CG  . ASP C 81 ? 0.32710 0.55870 0.46840 -0.08430 0.00530  0.08270  79  ASP C CG  
1859 O  OD1 . ASP C 81 ? 0.31340 0.54740 0.45880 -0.09440 0.00360  0.08510  79  ASP C OD1 
1860 O  OD2 . ASP C 81 ? 0.31220 0.55560 0.45270 -0.07590 0.00500  0.07980  79  ASP C OD2 
1861 N  N   . GLN C 82 ? 0.20790 0.37760 0.32990 -0.07390 0.00210  0.06370  80  GLN C N   
1862 C  CA  . GLN C 82 ? 0.26050 0.42160 0.37770 -0.07010 -0.00110 0.05510  80  GLN C CA  
1863 C  C   . GLN C 82 ? 0.28450 0.42320 0.40000 -0.07890 -0.00490 0.04940  80  GLN C C   
1864 O  O   . GLN C 82 ? 0.28450 0.42240 0.40040 -0.08250 -0.00870 0.04420  80  GLN C O   
1865 C  CB  . GLN C 82 ? 0.22130 0.37400 0.32880 -0.05610 0.00110  0.05120  80  GLN C CB  
1866 C  CG  . GLN C 82 ? 0.23400 0.40690 0.34070 -0.04550 0.00400  0.05440  80  GLN C CG  
1867 C  CD  . GLN C 82 ? 0.31120 0.50200 0.42200 -0.04550 0.00170  0.05350  80  GLN C CD  
1868 O  OE1 . GLN C 82 ? 0.31650 0.49890 0.42420 -0.04540 -0.00140 0.04720  80  GLN C OE1 
1869 N  NE2 . GLN C 82 ? 0.27420 0.49080 0.39220 -0.04550 0.00340  0.06020  80  GLN C NE2 
1870 N  N   . SER C 83 ? 0.24810 0.36840 0.36100 -0.08180 -0.00390 0.05040  81  SER C N   
1871 C  CA  . SER C 83 ? 0.25640 0.35410 0.36630 -0.08860 -0.00730 0.04480  81  SER C CA  
1872 C  C   . SER C 83 ? 0.35120 0.45320 0.46780 -0.10230 -0.01110 0.04540  81  SER C C   
1873 O  O   . SER C 83 ? 0.37790 0.46720 0.49190 -0.10680 -0.01510 0.03870  81  SER C O   
1874 C  CB  . SER C 83 ? 0.29800 0.37630 0.40390 -0.08850 -0.00540 0.04670  81  SER C CB  
1875 O  OG  . SER C 83 ? 0.32730 0.41020 0.43890 -0.09740 -0.00440 0.05470  81  SER C OG  
1876 N  N   . GLU C 84 ? 0.31150 0.43190 0.43640 -0.10930 -0.01020 0.05340  82  GLU C N   
1877 C  CA  . GLU C 84 ? 0.35330 0.47560 0.48080 -0.11850 -0.01340 0.05170  82  GLU C CA  
1878 C  C   . GLU C 84 ? 0.39510 0.53280 0.52460 -0.11710 -0.01640 0.04730  82  GLU C C   
1879 O  O   . GLU C 84 ? 0.39910 0.53060 0.52790 -0.12340 -0.02050 0.04190  82  GLU C O   
1880 C  CB  . GLU C 84 ? 0.32650 0.46210 0.45920 -0.12300 -0.01100 0.06000  82  GLU C CB  
1881 C  CG  . GLU C 84 ? 0.41710 0.54060 0.54780 -0.12360 -0.00750 0.06580  82  GLU C CG  
1882 C  CD  . GLU C 84 ? 0.55010 0.64320 0.67480 -0.12910 -0.00950 0.06170  82  GLU C CD  
1883 O  OE1 . GLU C 84 ? 0.61260 0.69460 0.73540 -0.13440 -0.01350 0.05470  82  GLU C OE1 
1884 O  OE2 . GLU C 84 ? 0.57400 0.65440 0.69540 -0.12730 -0.00680 0.06540  82  GLU C OE2 
1885 N  N   . LYS C 85 ? 0.36120 0.51920 0.49280 -0.10820 -0.01430 0.04960  83  LYS C N   
1886 C  CA  . LYS C 85 ? 0.36270 0.53630 0.49570 -0.10540 -0.01690 0.04610  83  LYS C CA  
1887 C  C   . LYS C 85 ? 0.42710 0.58720 0.55430 -0.10250 -0.01990 0.03780  83  LYS C C   
1888 O  O   . LYS C 85 ? 0.44980 0.61720 0.57700 -0.10310 -0.02330 0.03360  83  LYS C O   
1889 C  CB  . LYS C 85 ? 0.34830 0.54740 0.48420 -0.09520 -0.01340 0.05130  83  LYS C CB  
1890 C  CG  . LYS C 85 ? 0.37360 0.58990 0.51450 -0.09690 -0.01080 0.05920  83  LYS C CG  
1891 C  CD  . LYS C 85 ? 0.38150 0.62080 0.52300 -0.08450 -0.00710 0.06340  83  LYS C CD  
1892 C  CE  . LYS C 85 ? 0.41900 0.67710 0.56500 -0.08580 -0.00460 0.07120  83  LYS C CE  
1893 N  NZ  . LYS C 85 ? 0.47940 0.75720 0.62390 -0.07200 -0.00050 0.07520  83  LYS C NZ  
1894 N  N   . GLY C 86 ? 0.37840 0.51560 0.49730 -0.09640 -0.01800 0.03430  84  GLY C N   
1895 C  CA  . GLY C 86 ? 0.40730 0.52720 0.51800 -0.09190 -0.02000 0.02580  84  GLY C CA  
1896 C  C   . GLY C 86 ? 0.43470 0.55470 0.53870 -0.07800 -0.01740 0.02360  84  GLY C C   
1897 O  O   . GLY C 86 ? 0.46940 0.57940 0.56730 -0.07450 -0.01910 0.01710  84  GLY C O   
1898 N  N   . TRP C 87 ? 0.36750 0.49740 0.47180 -0.07030 -0.01330 0.02880  85  TRP C N   
1899 C  CA  . TRP C 87 ? 0.35240 0.48200 0.44970 -0.05730 -0.01100 0.02710  85  TRP C CA  
1900 C  C   . TRP C 87 ? 0.41820 0.55500 0.51330 -0.05380 -0.01350 0.02300  85  TRP C C   
1901 O  O   . TRP C 87 ? 0.50240 0.62630 0.59000 -0.04870 -0.01410 0.01760  85  TRP C O   
1902 C  CB  . TRP C 87 ? 0.31520 0.42170 0.40450 -0.05280 -0.00970 0.02320  85  TRP C CB  
1903 C  CG  . TRP C 87 ? 0.30580 0.40560 0.39570 -0.05360 -0.00690 0.02750  85  TRP C CG  
1904 C  CD1 . TRP C 87 ? 0.29140 0.37790 0.38280 -0.06130 -0.00750 0.02780  85  TRP C CD1 
1905 C  CD2 . TRP C 87 ? 0.26020 0.36540 0.34800 -0.04580 -0.00300 0.03190  85  TRP C CD2 
1906 N  NE1 . TRP C 87 ? 0.22220 0.30630 0.31300 -0.05870 -0.00430 0.03260  85  TRP C NE1 
1907 C  CE2 . TRP C 87 ? 0.23000 0.32600 0.31880 -0.04940 -0.00150 0.03510  85  TRP C CE2 
1908 C  CE3 . TRP C 87 ? 0.22080 0.33720 0.30540 -0.03560 -0.00080 0.03340  85  TRP C CE3 
1909 C  CZ2 . TRP C 87 ? 0.19970 0.29860 0.28640 -0.04340 0.00200  0.03970  85  TRP C CZ2 
1910 C  CZ3 . TRP C 87 ? 0.18150 0.29970 0.26350 -0.02960 0.00270  0.03740  85  TRP C CZ3 
1911 C  CH2 . TRP C 87 ? 0.20980 0.31990 0.29310 -0.03370 0.00400  0.04050  85  TRP C CH2 
1912 N  N   . GLN C 88 ? 0.54020 0.69880 0.64210 -0.05680 -0.01500 0.02620  86  GLN C N   
1913 C  CA  . GLN C 88 ? 0.56740 0.73510 0.66820 -0.05450 -0.01790 0.02290  86  GLN C CA  
1914 C  C   . GLN C 88 ? 0.61450 0.79230 0.71050 -0.04110 -0.01550 0.02450  86  GLN C C   
1915 O  O   . GLN C 88 ? 0.65140 0.84240 0.74760 -0.03800 -0.01740 0.02390  86  GLN C O   
1916 C  CB  . GLN C 88 ? 0.55670 0.74350 0.66710 -0.06490 -0.02140 0.02510  86  GLN C CB  
1917 C  CG  . GLN C 88 ? 0.53120 0.70840 0.64650 -0.07890 -0.02350 0.02500  86  GLN C CG  
1918 C  CD  . GLN C 88 ? 0.58450 0.75160 0.69800 -0.08690 -0.02870 0.01810  86  GLN C CD  
1919 O  OE1 . GLN C 88 ? 0.69970 0.86810 0.80860 -0.08220 -0.03070 0.01360  86  GLN C OE1 
1920 N  NE2 . GLN C 88 ? 0.57320 0.72940 0.68940 -0.09890 -0.03090 0.01740  86  GLN C NE2 
1921 N  N   . GLY D 1  ? 0.44670 0.74050 0.52410 0.08440  0.04670  -0.01730 -1  GLY D N   
1922 C  CA  . GLY D 1  ? 0.45180 0.76370 0.53830 0.08060  0.04440  -0.01190 -1  GLY D CA  
1923 C  C   . GLY D 1  ? 0.40580 0.72180 0.50060 0.06460  0.04150  -0.00850 -1  GLY D C   
1924 O  O   . GLY D 1  ? 0.37710 0.67500 0.47000 0.05890  0.04000  -0.01110 -1  GLY D O   
1925 N  N   . SER D 2  ? 0.37220 0.70870 0.47460 0.05650  0.04000  -0.00270 0   SER D N   
1926 C  CA  . SER D 2  ? 0.32390 0.66220 0.43280 0.04060  0.03650  0.00030  0   SER D CA  
1927 C  C   . SER D 2  ? 0.33150 0.66490 0.43880 0.02860  0.03780  0.00100  0   SER D C   
1928 O  O   . SER D 2  ? 0.25580 0.57590 0.36330 0.01820  0.03500  0.00060  0   SER D O   
1929 C  CB  . SER D 2  ? 0.29460 0.65450 0.41040 0.03450  0.03420  0.00590  0   SER D CB  
1930 O  OG  . SER D 2  ? 0.38180 0.75860 0.49770 0.03300  0.03720  0.00940  0   SER D OG  
1931 N  N   . ALA D 3  ? 0.28620 0.62750 0.39020 0.02990  0.04170  0.00220  1   ALA D N   
1932 C  CA  . ALA D 3  ? 0.28050 0.61640 0.38170 0.01940  0.04330  0.00320  1   ALA D CA  
1933 C  C   . ALA D 3  ? 0.29430 0.60190 0.38720 0.02160  0.04270  -0.00250 1   ALA D C   
1934 O  O   . ALA D 3  ? 0.25060 0.54100 0.34040 0.01000  0.04000  -0.00190 1   ALA D O   
1935 C  CB  . ALA D 3  ? 0.29720 0.64560 0.39490 0.02250  0.04750  0.00540  1   ALA D CB  
1936 N  N   . ASP D 4  ? 0.32220 0.61850 0.40870 0.03590  0.04410  -0.00800 2   ASP D N   
1937 C  CA  . ASP D 4  ? 0.32460 0.58870 0.40090 0.03750  0.04210  -0.01350 2   ASP D CA  
1938 C  C   . ASP D 4  ? 0.31240 0.55760 0.38970 0.02990  0.03680  -0.01370 2   ASP D C   
1939 O  O   . ASP D 4  ? 0.31850 0.54370 0.39070 0.02210  0.03470  -0.01470 2   ASP D O   
1940 C  CB  . ASP D 4  ? 0.33070 0.58580 0.40030 0.05390  0.04390  -0.01930 2   ASP D CB  
1941 C  CG  . ASP D 4  ? 0.40440 0.67320 0.46990 0.06240  0.04910  -0.02040 2   ASP D CG  
1942 O  OD1 . ASP D 4  ? 0.36830 0.64650 0.43360 0.05490  0.05130  -0.01750 2   ASP D OD1 
1943 O  OD2 . ASP D 4  ? 0.49400 0.76360 0.55570 0.07710  0.05110  -0.02420 2   ASP D OD2 
1944 N  N   . LEU D 5  ? 0.27050 0.52250 0.35390 0.03260  0.03460  -0.01250 3   LEU D N   
1945 C  CA  . LEU D 5  ? 0.23710 0.47180 0.32060 0.02670  0.02970  -0.01290 3   LEU D CA  
1946 C  C   . LEU D 5  ? 0.22520 0.45990 0.31130 0.01080  0.02720  -0.00930 3   LEU D C   
1947 O  O   . LEU D 5  ? 0.21380 0.42740 0.29580 0.00480  0.02390  -0.01060 3   LEU D O   
1948 C  CB  . LEU D 5  ? 0.27230 0.51690 0.36160 0.03330  0.02800  -0.01190 3   LEU D CB  
1949 C  CG  . LEU D 5  ? 0.32040 0.55820 0.40590 0.04930  0.02920  -0.01550 3   LEU D CG  
1950 C  CD1 . LEU D 5  ? 0.33750 0.58850 0.42950 0.05460  0.02740  -0.01320 3   LEU D CD1 
1951 C  CD2 . LEU D 5  ? 0.29250 0.49830 0.36910 0.05100  0.02750  -0.02010 3   LEU D CD2 
1952 N  N   . ALA D 6  ? 0.22670 0.48490 0.31920 0.00380  0.02860  -0.00460 4   ALA D N   
1953 C  CA  . ALA D 6  ? 0.22030 0.47710 0.31430 -0.01180 0.02590  -0.00100 4   ALA D CA  
1954 C  C   . ALA D 6  ? 0.24820 0.48530 0.33380 -0.01740 0.02660  -0.00200 4   ALA D C   
1955 O  O   . ALA D 6  ? 0.20680 0.42570 0.28870 -0.02590 0.02320  -0.00220 4   ALA D O   
1956 C  CB  . ALA D 6  ? 0.19020 0.47740 0.29310 -0.01870 0.02740  0.00460  4   ALA D CB  
1957 N  N   . HIS D 7  ? 0.21560 0.45630 0.29750 -0.01210 0.03080  -0.00280 5   HIS D N   
1958 C  CA  . HIS D 7  ? 0.25230 0.47490 0.32570 -0.01600 0.03140  -0.00390 5   HIS D CA  
1959 C  C   . HIS D 7  ? 0.21960 0.41500 0.28620 -0.01130 0.02880  -0.00920 5   HIS D C   
1960 O  O   . HIS D 7  ? 0.20760 0.38490 0.26870 -0.01770 0.02680  -0.00960 5   HIS D O   
1961 C  CB  . HIS D 7  ? 0.21540 0.44900 0.28580 -0.01040 0.03650  -0.00390 5   HIS D CB  
1962 C  CG  . HIS D 7  ? 0.23270 0.44960 0.29410 -0.01380 0.03700  -0.00480 5   HIS D CG  
1963 N  ND1 . HIS D 7  ? 0.31370 0.52210 0.37300 -0.02620 0.03530  -0.00110 5   HIS D ND1 
1964 C  CD2 . HIS D 7  ? 0.26210 0.46840 0.31540 -0.00620 0.03880  -0.00900 5   HIS D CD2 
1965 C  CE1 . HIS D 7  ? 0.30360 0.49820 0.35440 -0.02560 0.03610  -0.00270 5   HIS D CE1 
1966 N  NE2 . HIS D 7  ? 0.29920 0.49290 0.34640 -0.01390 0.03820  -0.00750 5   HIS D NE2 
1967 N  N   . GLY D 8  ? 0.22260 0.41510 0.28920 -0.00010 0.02870  -0.01310 6   GLY D N   
1968 C  CA  . GLY D 8  ? 0.17780 0.34570 0.23880 0.00340  0.02620  -0.01750 6   GLY D CA  
1969 C  C   . GLY D 8  ? 0.20020 0.35590 0.26200 -0.00500 0.02190  -0.01620 6   GLY D C   
1970 O  O   . GLY D 8  ? 0.17140 0.30710 0.22770 -0.00720 0.01990  -0.01820 6   GLY D O   
1971 N  N   . GLY D 9  ? 0.17970 0.34820 0.24830 -0.00960 0.02020  -0.01300 7   GLY D N   
1972 C  CA  . GLY D 9  ? 0.20410 0.36150 0.27250 -0.01760 0.01600  -0.01210 7   GLY D CA  
1973 C  C   . GLY D 9  ? 0.17620 0.32360 0.24000 -0.02800 0.01510  -0.01040 7   GLY D C   
1974 O  O   . GLY D 9  ? 0.18930 0.31880 0.24870 -0.03150 0.01220  -0.01140 7   GLY D O   
1975 N  N   . GLN D 10 ? 0.19650 0.35530 0.26060 -0.03270 0.01770  -0.00750 8   GLN D N   
1976 C  CA  . GLN D 10 ? 0.23160 0.37980 0.29030 -0.04210 0.01710  -0.00540 8   GLN D CA  
1977 C  C   . GLN D 10 ? 0.24110 0.37050 0.29160 -0.03800 0.01780  -0.00850 8   GLN D C   
1978 O  O   . GLN D 10 ? 0.20280 0.31530 0.24760 -0.04290 0.01560  -0.00850 8   GLN D O   
1979 C  CB  . GLN D 10 ? 0.30010 0.46630 0.36140 -0.04840 0.02000  -0.00070 8   GLN D CB  
1980 C  CG  . GLN D 10 ? 0.33790 0.52420 0.40780 -0.05500 0.01890  0.00310  8   GLN D CG  
1981 C  CD  . GLN D 10 ? 0.44090 0.61660 0.50940 -0.06660 0.01430  0.00480  8   GLN D CD  
1982 O  OE1 . GLN D 10 ? 0.55690 0.71150 0.61740 -0.07080 0.01270  0.00420  8   GLN D OE1 
1983 N  NE2 . GLN D 10 ? 0.51000 0.70030 0.58560 -0.07150 0.01200  0.00670  8   GLN D NE2 
1984 N  N   . VAL D 11 ? 0.20260 0.33490 0.25190 -0.02870 0.02060  -0.01140 9   VAL D N   
1985 C  CA  . VAL D 11 ? 0.17930 0.29430 0.22120 -0.02460 0.02060  -0.01500 9   VAL D CA  
1986 C  C   . VAL D 11 ? 0.17920 0.27700 0.21970 -0.02330 0.01700  -0.01770 9   VAL D C   
1987 O  O   . VAL D 11 ? 0.16650 0.24880 0.20150 -0.02530 0.01550  -0.01860 9   VAL D O   
1988 C  CB  . VAL D 11 ? 0.17000 0.29090 0.21040 -0.01460 0.02370  -0.01840 9   VAL D CB  
1989 C  CG1 . VAL D 11 ? 0.19590 0.29900 0.22910 -0.01080 0.02290  -0.02270 9   VAL D CG1 
1990 C  CG2 . VAL D 11 ? 0.19940 0.33780 0.24020 -0.01570 0.02760  -0.01540 9   VAL D CG2 
1991 N  N   . PHE D 12 ? 0.15090 0.25230 0.19650 -0.01970 0.01570  -0.01850 10  PHE D N   
1992 C  CA  . PHE D 12 ? 0.17220 0.25860 0.21660 -0.01830 0.01270  -0.02040 10  PHE D CA  
1993 C  C   . PHE D 12 ? 0.16900 0.24620 0.21120 -0.02660 0.00990  -0.01840 10  PHE D C   
1994 O  O   . PHE D 12 ? 0.17480 0.23670 0.21260 -0.02680 0.00820  -0.01970 10  PHE D O   
1995 C  CB  . PHE D 12 ? 0.18010 0.27350 0.23000 -0.01290 0.01210  -0.02080 10  PHE D CB  
1996 C  CG  . PHE D 12 ? 0.17540 0.25410 0.22390 -0.01030 0.00950  -0.02260 10  PHE D CG  
1997 C  CD1 . PHE D 12 ? 0.17990 0.25410 0.22900 -0.01540 0.00650  -0.02090 10  PHE D CD1 
1998 C  CD2 . PHE D 12 ? 0.16450 0.23360 0.21050 -0.00300 0.01010  -0.02580 10  PHE D CD2 
1999 C  CE1 . PHE D 12 ? 0.19460 0.25650 0.24220 -0.01280 0.00460  -0.02200 10  PHE D CE1 
2000 C  CE2 . PHE D 12 ? 0.15830 0.21460 0.20330 -0.00140 0.00800  -0.02660 10  PHE D CE2 
2001 C  CZ  . PHE D 12 ? 0.19270 0.24630 0.23870 -0.00600 0.00540  -0.02450 10  PHE D CZ  
2002 N  N   . SER D 13 ? 0.19190 0.27850 0.23700 -0.03360 0.00910  -0.01510 11  SER D N   
2003 C  CA  . SER D 13 ? 0.22370 0.29950 0.26510 -0.04150 0.00620  -0.01360 11  SER D CA  
2004 C  C   . SER D 13 ? 0.25690 0.31990 0.29080 -0.04410 0.00670  -0.01330 11  SER D C   
2005 O  O   . SER D 13 ? 0.24020 0.28800 0.26900 -0.04550 0.00450  -0.01390 11  SER D O   
2006 C  CB  . SER D 13 ? 0.25010 0.33800 0.29520 -0.04970 0.00520  -0.01020 11  SER D CB  
2007 O  OG  . SER D 13 ? 0.39730 0.47210 0.43670 -0.05760 0.00250  -0.00890 11  SER D OG  
2008 N  N   . ALA D 14 ? 0.21700 0.28650 0.24980 -0.04410 0.00970  -0.01220 12  ALA D N   
2009 C  CA  . ALA D 14 ? 0.18310 0.24200 0.20850 -0.04680 0.01020  -0.01120 12  ALA D CA  
2010 C  C   . ALA D 14 ? 0.22820 0.27560 0.24950 -0.04030 0.01010  -0.01470 12  ALA D C   
2011 O  O   . ALA D 14 ? 0.26300 0.29870 0.27790 -0.04190 0.00920  -0.01420 12  ALA D O   
2012 C  CB  . ALA D 14 ? 0.28160 0.35230 0.30670 -0.04920 0.01350  -0.00840 12  ALA D CB  
2013 N  N   . ASN D 15 ? 0.19070 0.24080 0.21510 -0.03310 0.01070  -0.01810 13  ASN D N   
2014 C  CA  . ASN D 15 ? 0.17690 0.21820 0.19750 -0.02790 0.01070  -0.02140 13  ASN D CA  
2015 C  C   . ASN D 15 ? 0.16380 0.19730 0.18630 -0.02370 0.00880  -0.02420 13  ASN D C   
2016 O  O   . ASN D 15 ? 0.16010 0.18460 0.17940 -0.02130 0.00800  -0.02640 13  ASN D O   
2017 C  CB  . ASN D 15 ? 0.17540 0.22530 0.19560 -0.02310 0.01360  -0.02330 13  ASN D CB  
2018 C  CG  . ASN D 15 ? 0.19670 0.25370 0.21380 -0.02670 0.01590  -0.02040 13  ASN D CG  
2019 O  OD1 . ASN D 15 ? 0.20170 0.25160 0.21280 -0.02800 0.01580  -0.02000 13  ASN D OD1 
2020 N  ND2 . ASN D 15 ? 0.19060 0.26280 0.21190 -0.02820 0.01810  -0.01790 13  ASN D ND2 
2021 N  N   . CYS D 16 ? 0.16680 0.20430 0.19430 -0.02270 0.00800  -0.02400 14  CYS D N   
2022 C  CA  . CYS D 16 ? 0.13250 0.16380 0.16180 -0.01800 0.00680  -0.02620 14  CYS D CA  
2023 C  C   . CYS D 16 ? 0.13400 0.16080 0.16460 -0.02030 0.00430  -0.02470 14  CYS D C   
2024 O  O   . CYS D 16 ? 0.16100 0.17910 0.19110 -0.01810 0.00300  -0.02570 14  CYS D O   
2025 C  CB  . CYS D 16 ? 0.15200 0.19200 0.18540 -0.01190 0.00830  -0.02770 14  CYS D CB  
2026 S  SG  . CYS D 16 ? 0.13810 0.18770 0.16990 -0.00830 0.01170  -0.02930 14  CYS D SG  
2027 N  N   . ALA D 17 ? 0.15820 0.19070 0.19010 -0.02520 0.00360  -0.02220 15  ALA D N   
2028 C  CA  . ALA D 17 ? 0.14190 0.17120 0.17460 -0.02690 0.00100  -0.02120 15  ALA D CA  
2029 C  C   . ALA D 17 ? 0.19160 0.20700 0.21900 -0.02820 -0.00070 -0.02130 15  ALA D C   
2030 O  O   . ALA D 17 ? 0.19730 0.20810 0.22460 -0.02720 -0.00250 -0.02130 15  ALA D O   
2031 C  CB  . ALA D 17 ? 0.19590 0.23390 0.23040 -0.03290 0.00010  -0.01890 15  ALA D CB  
2032 N  N   . ALA D 18 ? 0.19000 0.19950 0.21250 -0.02980 -0.00010 -0.02130 16  ALA D N   
2033 C  CA  . ALA D 18 ? 0.17140 0.16920 0.18890 -0.02970 -0.00150 -0.02130 16  ALA D CA  
2034 C  C   . ALA D 18 ? 0.20790 0.20210 0.22740 -0.02500 -0.00190 -0.02270 16  ALA D C   
2035 O  O   . ALA D 18 ? 0.25200 0.23960 0.26920 -0.02450 -0.00330 -0.02220 16  ALA D O   
2036 C  CB  . ALA D 18 ? 0.19060 0.18440 0.20320 -0.03060 -0.00050 -0.02110 16  ALA D CB  
2037 N  N   . CYS D 19 ? 0.16420 0.16220 0.18750 -0.02140 -0.00070 -0.02430 17  CYS D N   
2038 C  CA  . CYS D 19 ? 0.13240 0.12630 0.15760 -0.01780 -0.00110 -0.02520 17  CYS D CA  
2039 C  C   . CYS D 19 ? 0.16960 0.16780 0.19930 -0.01480 -0.00100 -0.02500 17  CYS D C   
2040 O  O   . CYS D 19 ? 0.17810 0.17220 0.20880 -0.01270 -0.00180 -0.02450 17  CYS D O   
2041 C  CB  . CYS D 19 ? 0.15160 0.14290 0.17610 -0.01590 -0.00030 -0.02730 17  CYS D CB  
2042 S  SG  . CYS D 19 ? 0.16550 0.15230 0.18480 -0.01820 -0.00080 -0.02720 17  CYS D SG  
2043 N  N   . HIS D 20 ? 0.15580 0.16280 0.18810 -0.01430 0.00000  -0.02510 18  HIS D N   
2044 C  CA  . HIS D 20 ? 0.16150 0.17370 0.19800 -0.01000 0.00030  -0.02510 18  HIS D CA  
2045 C  C   . HIS D 20 ? 0.17680 0.19830 0.21590 -0.01170 -0.00070 -0.02320 18  HIS D C   
2046 O  O   . HIS D 20 ? 0.17330 0.20350 0.21620 -0.00810 0.00000  -0.02290 18  HIS D O   
2047 C  CB  . HIS D 20 ? 0.13260 0.14900 0.17010 -0.00590 0.00240  -0.02710 18  HIS D CB  
2048 C  CG  . HIS D 20 ? 0.12640 0.13330 0.16120 -0.00370 0.00280  -0.02960 18  HIS D CG  
2049 N  ND1 . HIS D 20 ? 0.15190 0.14960 0.18650 -0.00170 0.00180  -0.02980 18  HIS D ND1 
2050 C  CD2 . HIS D 20 ? 0.14390 0.14950 0.17580 -0.00370 0.00380  -0.03200 18  HIS D CD2 
2051 C  CE1 . HIS D 20 ? 0.17700 0.16790 0.20900 -0.00110 0.00200  -0.03240 18  HIS D CE1 
2052 N  NE2 . HIS D 20 ? 0.15740 0.15300 0.18750 -0.00210 0.00310  -0.03400 18  HIS D NE2 
2053 N  N   . LEU D 21 ? 0.16070 0.18070 0.19760 -0.01680 -0.00230 -0.02190 19  LEU D N   
2054 C  CA  . LEU D 21 ? 0.16040 0.18820 0.19910 -0.01970 -0.00400 -0.02050 19  LEU D CA  
2055 C  C   . LEU D 21 ? 0.18190 0.21480 0.22440 -0.01470 -0.00460 -0.01990 19  LEU D C   
2056 O  O   . LEU D 21 ? 0.18350 0.20890 0.22500 -0.01110 -0.00500 -0.01970 19  LEU D O   
2057 C  CB  . LEU D 21 ? 0.18390 0.20370 0.21750 -0.02440 -0.00630 -0.01990 19  LEU D CB  
2058 C  CG  . LEU D 21 ? 0.20470 0.23110 0.23890 -0.02880 -0.00870 -0.01900 19  LEU D CG  
2059 C  CD1 . LEU D 21 ? 0.21660 0.25170 0.25240 -0.03450 -0.00820 -0.01820 19  LEU D CD1 
2060 C  CD2 . LEU D 21 ? 0.25130 0.26690 0.27900 -0.03140 -0.01120 -0.01920 19  LEU D CD2 
2061 N  N   . GLY D 22 ? 0.17730 0.22390 0.22440 -0.01420 -0.00450 -0.01910 20  GLY D N   
2062 C  CA  . GLY D 22 ? 0.23660 0.28950 0.28720 -0.00870 -0.00510 -0.01810 20  GLY D CA  
2063 C  C   . GLY D 22 ? 0.23560 0.28240 0.28640 -0.00100 -0.00330 -0.01880 20  GLY D C   
2064 O  O   . GLY D 22 ? 0.23750 0.28330 0.28900 0.00370  -0.00400 -0.01760 20  GLY D O   
2065 N  N   . GLY D 23 ? 0.19580 0.23750 0.24520 0.00030  -0.00120 -0.02060 21  GLY D N   
2066 C  CA  . GLY D 23 ? 0.19770 0.23190 0.24630 0.00700  0.00020  -0.02170 21  GLY D CA  
2067 C  C   . GLY D 23 ? 0.20140 0.22070 0.24680 0.00670  -0.00050 -0.02170 21  GLY D C   
2068 O  O   . GLY D 23 ? 0.17760 0.18930 0.22210 0.01140  0.00020  -0.02220 21  GLY D O   
2069 N  N   . ARG D 24 ? 0.19220 0.20710 0.23550 0.00140  -0.00180 -0.02100 22  ARG D N   
2070 C  CA  . ARG D 24 ? 0.16850 0.17190 0.20930 0.00100  -0.00240 -0.02050 22  ARG D CA  
2071 C  C   . ARG D 24 ? 0.18100 0.17750 0.21960 -0.00100 -0.00150 -0.02260 22  ARG D C   
2072 O  O   . ARG D 24 ? 0.17000 0.16930 0.20850 -0.00060 -0.00030 -0.02470 22  ARG D O   
2073 C  CB  . ARG D 24 ? 0.19150 0.19450 0.23060 -0.00240 -0.00410 -0.01880 22  ARG D CB  
2074 C  CG  . ARG D 24 ? 0.28330 0.29450 0.32390 -0.00140 -0.00560 -0.01720 22  ARG D CG  
2075 C  CD  . ARG D 24 ? 0.33010 0.34100 0.37250 0.00440  -0.00530 -0.01550 22  ARG D CD  
2076 N  NE  . ARG D 24 ? 0.40650 0.40870 0.44660 0.00510  -0.00550 -0.01360 22  ARG D NE  
2077 C  CZ  . ARG D 24 ? 0.38400 0.38470 0.42440 0.00940  -0.00560 -0.01100 22  ARG D CZ  
2078 N  NH1 . ARG D 24 ? 0.37950 0.38650 0.42220 0.01410  -0.00560 -0.01020 22  ARG D NH1 
2079 N  NH2 . ARG D 24 ? 0.36100 0.35470 0.39940 0.00930  -0.00550 -0.00890 22  ARG D NH2 
2080 N  N   . ASN D 25 ? 0.17830 0.16720 0.21500 -0.00300 -0.00210 -0.02200 23  ASN D N   
2081 C  CA  . ASN D 25 ? 0.13910 0.12300 0.17380 -0.00530 -0.00180 -0.02380 23  ASN D CA  
2082 C  C   . ASN D 25 ? 0.19930 0.17990 0.23210 -0.00800 -0.00280 -0.02210 23  ASN D C   
2083 O  O   . ASN D 25 ? 0.19290 0.16930 0.22620 -0.00740 -0.00300 -0.02050 23  ASN D O   
2084 C  CB  . ASN D 25 ? 0.15980 0.13720 0.19470 -0.00310 -0.00130 -0.02540 23  ASN D CB  
2085 C  CG  . ASN D 25 ? 0.20030 0.17420 0.23300 -0.00570 -0.00140 -0.02770 23  ASN D CG  
2086 O  OD1 . ASN D 25 ? 0.19260 0.16750 0.22390 -0.00890 -0.00190 -0.02720 23  ASN D OD1 
2087 N  ND2 . ASN D 25 ? 0.16490 0.13430 0.19660 -0.00410 -0.00110 -0.03050 23  ASN D ND2 
2088 N  N   . VAL D 26 ? 0.15830 0.14050 0.18840 -0.01080 -0.00320 -0.02230 24  VAL D N   
2089 C  CA  . VAL D 26 ? 0.19230 0.17170 0.21960 -0.01210 -0.00400 -0.02080 24  VAL D CA  
2090 C  C   . VAL D 26 ? 0.22590 0.20180 0.25320 -0.01240 -0.00390 -0.02080 24  VAL D C   
2091 O  O   . VAL D 26 ? 0.17530 0.15000 0.20140 -0.01210 -0.00430 -0.01890 24  VAL D O   
2092 C  CB  . VAL D 26 ? 0.18890 0.16880 0.21210 -0.01470 -0.00450 -0.02110 24  VAL D CB  
2093 C  CG1 . VAL D 26 ? 0.20770 0.18680 0.22910 -0.01620 -0.00390 -0.02250 24  VAL D CG1 
2094 C  CG2 . VAL D 26 ? 0.22110 0.19750 0.24020 -0.01470 -0.00560 -0.01970 24  VAL D CG2 
2095 N  N   . VAL D 27 ? 0.18890 0.16390 0.21700 -0.01280 -0.00350 -0.02290 25  VAL D N   
2096 C  CA  . VAL D 27 ? 0.16660 0.13940 0.19490 -0.01400 -0.00390 -0.02310 25  VAL D CA  
2097 C  C   . VAL D 27 ? 0.23160 0.20120 0.26310 -0.01360 -0.00400 -0.02210 25  VAL D C   
2098 O  O   . VAL D 27 ? 0.21170 0.18100 0.24420 -0.01500 -0.00440 -0.02030 25  VAL D O   
2099 C  CB  . VAL D 27 ? 0.17450 0.14750 0.20130 -0.01500 -0.00380 -0.02620 25  VAL D CB  
2100 C  CG1 . VAL D 27 ? 0.18800 0.16010 0.21510 -0.01680 -0.00490 -0.02660 25  VAL D CG1 
2101 C  CG2 . VAL D 27 ? 0.18690 0.16260 0.21020 -0.01560 -0.00350 -0.02630 25  VAL D CG2 
2102 N  N   . ASN D 28 ? 0.24410 0.21130 0.27690 -0.01180 -0.00350 -0.02300 26  ASN D N   
2103 C  CA  . ASN D 28 ? 0.24920 0.21100 0.28400 -0.01140 -0.00360 -0.02170 26  ASN D CA  
2104 C  C   . ASN D 28 ? 0.23880 0.20010 0.27440 -0.00770 -0.00300 -0.02050 26  ASN D C   
2105 O  O   . ASN D 28 ? 0.24490 0.20500 0.28020 -0.00500 -0.00250 -0.02270 26  ASN D O   
2106 C  CB  . ASN D 28 ? 0.32260 0.27850 0.35680 -0.01260 -0.00420 -0.02490 26  ASN D CB  
2107 C  CG  . ASN D 28 ? 0.35900 0.30700 0.39440 -0.01330 -0.00450 -0.02320 26  ASN D CG  
2108 O  OD1 . ASN D 28 ? 0.36120 0.30920 0.39820 -0.01260 -0.00410 -0.01920 26  ASN D OD1 
2109 N  ND2 . ASN D 28 ? 0.43540 0.37610 0.46940 -0.01480 -0.00550 -0.02620 26  ASN D ND2 
2110 N  N   . PRO D 29 ? 0.26270 0.22540 0.29920 -0.00680 -0.00290 -0.01680 27  PRO D N   
2111 C  CA  . PRO D 29 ? 0.26850 0.23220 0.30560 -0.00290 -0.00260 -0.01530 27  PRO D CA  
2112 C  C   . PRO D 29 ? 0.28020 0.23650 0.31760 -0.00030 -0.00220 -0.01520 27  PRO D C   
2113 O  O   . PRO D 29 ? 0.29260 0.25000 0.33030 0.00410  -0.00190 -0.01420 27  PRO D O   
2114 C  CB  . PRO D 29 ? 0.32840 0.29460 0.36540 -0.00270 -0.00280 -0.01130 27  PRO D CB  
2115 C  CG  . PRO D 29 ? 0.38350 0.35040 0.41990 -0.00620 -0.00300 -0.01090 27  PRO D CG  
2116 C  CD  . PRO D 29 ? 0.33240 0.29610 0.36930 -0.00880 -0.00310 -0.01360 27  PRO D CD  
2117 N  N   . ALA D 30 ? 0.25530 0.20370 0.29230 -0.00270 -0.00250 -0.01610 28  ALA D N   
2118 C  CA  . ALA D 30 ? 0.28720 0.22550 0.32300 -0.00020 -0.00240 -0.01650 28  ALA D CA  
2119 C  C   . ALA D 30 ? 0.30870 0.24600 0.34250 0.00360  -0.00200 -0.02110 28  ALA D C   
2120 O  O   . ALA D 30 ? 0.29880 0.22810 0.33060 0.00780  -0.00170 -0.02170 28  ALA D O   
2121 C  CB  . ALA D 30 ? 0.33420 0.26340 0.36960 -0.00510 -0.00320 -0.01620 28  ALA D CB  
2122 N  N   . LYS D 31 ? 0.25630 0.20130 0.29020 0.00260  -0.00180 -0.02410 29  LYS D N   
2123 C  CA  . LYS D 31 ? 0.21610 0.16150 0.24790 0.00590  -0.00120 -0.02850 29  LYS D CA  
2124 C  C   . LYS D 31 ? 0.23230 0.19070 0.26570 0.00780  -0.00020 -0.02840 29  LYS D C   
2125 O  O   . LYS D 31 ? 0.21380 0.17810 0.24670 0.00600  0.00010  -0.03060 29  LYS D O   
2126 C  CB  . LYS D 31 ? 0.28700 0.22850 0.31640 0.00200  -0.00200 -0.03220 29  LYS D CB  
2127 C  CG  . LYS D 31 ? 0.32240 0.25070 0.35000 -0.00030 -0.00330 -0.03280 29  LYS D CG  
2128 C  CD  . LYS D 31 ? 0.42010 0.34530 0.44520 -0.00430 -0.00460 -0.03690 29  LYS D CD  
2129 C  CE  . LYS D 31 ? 0.44620 0.35840 0.46980 -0.00820 -0.00640 -0.03720 29  LYS D CE  
2130 N  NZ  . LYS D 31 ? 0.52170 0.43050 0.54210 -0.01190 -0.00830 -0.04210 29  LYS D NZ  
2131 N  N   . THR D 32 ? 0.23430 0.19750 0.26970 0.01130  0.00010  -0.02560 30  THR D N   
2132 C  CA  . THR D 32 ? 0.21090 0.18710 0.24840 0.01230  0.00060  -0.02530 30  THR D CA  
2133 C  C   . THR D 32 ? 0.21140 0.19200 0.24850 0.01770  0.00200  -0.02790 30  THR D C   
2134 O  O   . THR D 32 ? 0.22190 0.19400 0.25610 0.02130  0.00250  -0.03040 30  THR D O   
2135 C  CB  . THR D 32 ? 0.21720 0.19850 0.25690 0.01380  -0.00010 -0.02150 30  THR D CB  
2136 O  OG1 . THR D 32 ? 0.23640 0.21550 0.27610 0.02050  0.00040  -0.02070 30  THR D OG1 
2137 C  CG2 . THR D 32 ? 0.22420 0.20000 0.26340 0.01020  -0.00110 -0.01880 30  THR D CG2 
2138 N  N   . LEU D 33 ? 0.18030 0.17460 0.22010 0.01840  0.00260  -0.02730 31  LEU D N   
2139 C  CA  . LEU D 33 ? 0.19160 0.19390 0.23180 0.02420  0.00420  -0.02890 31  LEU D CA  
2140 C  C   . LEU D 33 ? 0.20250 0.21010 0.24500 0.03080  0.00430  -0.02660 31  LEU D C   
2141 O  O   . LEU D 33 ? 0.20730 0.22580 0.25130 0.03610  0.00570  -0.02700 31  LEU D O   
2142 C  CB  . LEU D 33 ? 0.17900 0.19530 0.22120 0.02050  0.00500  -0.02930 31  LEU D CB  
2143 C  CG  . LEU D 33 ? 0.18110 0.19340 0.22090 0.01380  0.00480  -0.03070 31  LEU D CG  
2144 C  CD1 . LEU D 33 ? 0.17740 0.20290 0.21840 0.01140  0.00620  -0.03070 31  LEU D CD1 
2145 C  CD2 . LEU D 33 ? 0.18370 0.18340 0.21910 0.01540  0.00510  -0.03410 31  LEU D CD2 
2146 N  N   . GLN D 34 ? 0.21380 0.21460 0.25630 0.03100  0.00300  -0.02380 32  GLN D N   
2147 C  CA  . GLN D 34 ? 0.24560 0.24980 0.28920 0.03810  0.00290  -0.02120 32  GLN D CA  
2148 C  C   . GLN D 34 ? 0.24890 0.24270 0.28870 0.04630  0.00420  -0.02290 32  GLN D C   
2149 O  O   . GLN D 34 ? 0.26930 0.24850 0.30490 0.04510  0.00440  -0.02550 32  GLN D O   
2150 C  CB  . GLN D 34 ? 0.27600 0.27500 0.31970 0.03620  0.00130  -0.01750 32  GLN D CB  
2151 C  CG  . GLN D 34 ? 0.25610 0.26330 0.30200 0.02910  -0.00020 -0.01620 32  GLN D CG  
2152 C  CD  . GLN D 34 ? 0.36700 0.36800 0.41170 0.02780  -0.00150 -0.01280 32  GLN D CD  
2153 O  OE1 . GLN D 34 ? 0.41230 0.40200 0.45490 0.02460  -0.00150 -0.01260 32  GLN D OE1 
2154 N  NE2 . GLN D 34 ? 0.41700 0.42660 0.46320 0.03050  -0.00270 -0.01000 32  GLN D NE2 
2155 N  N   . LYS D 35 ? 0.24730 0.24850 0.28800 0.05480  0.00480  -0.02150 33  LYS D N   
2156 C  CA  . LYS D 35 ? 0.26860 0.26080 0.30480 0.06430  0.00630  -0.02340 33  LYS D CA  
2157 C  C   . LYS D 35 ? 0.28730 0.25600 0.31780 0.06430  0.00550  -0.02330 33  LYS D C   
2158 O  O   . LYS D 35 ? 0.28660 0.24160 0.31140 0.06730  0.00620  -0.02690 33  LYS D O   
2159 C  CB  . LYS D 35 ? 0.30450 0.30890 0.34270 0.07410  0.00680  -0.02080 33  LYS D CB  
2160 C  CG  . LYS D 35 ? 0.36340 0.35980 0.39620 0.08580  0.00850  -0.02290 33  LYS D CG  
2161 C  CD  . LYS D 35 ? 0.43010 0.43670 0.46450 0.09610  0.00870  -0.01920 33  LYS D CD  
2162 C  CE  . LYS D 35 ? 0.51730 0.51430 0.54490 0.10930  0.01050  -0.02120 33  LYS D CE  
2163 N  NZ  . LYS D 35 ? 0.52300 0.53470 0.55160 0.11400  0.01280  -0.02490 33  LYS D NZ  
2164 N  N   . ALA D 36 ? 0.27780 0.24160 0.30920 0.06070  0.00410  -0.01920 34  ALA D N   
2165 C  CA  . ALA D 36 ? 0.29270 0.23520 0.31920 0.06000  0.00360  -0.01810 34  ALA D CA  
2166 C  C   . ALA D 36 ? 0.28850 0.22010 0.31280 0.05230  0.00310  -0.02180 34  ALA D C   
2167 O  O   . ALA D 36 ? 0.32340 0.23710 0.34210 0.05330  0.00290  -0.02380 34  ALA D O   
2168 C  CB  . ALA D 36 ? 0.33110 0.27330 0.35950 0.05710  0.00250  -0.01240 34  ALA D CB  
2169 N  N   . ASP D 37 ? 0.29190 0.23330 0.31990 0.04460  0.00270  -0.02280 35  ASP D N   
2170 C  CA  . ASP D 37 ? 0.26510 0.19840 0.29130 0.03760  0.00210  -0.02610 35  ASP D CA  
2171 C  C   . ASP D 37 ? 0.26950 0.20010 0.29170 0.04100  0.00290  -0.03180 35  ASP D C   
2172 O  O   . ASP D 37 ? 0.25590 0.17170 0.27330 0.03950  0.00220  -0.03490 35  ASP D O   
2173 C  CB  . ASP D 37 ? 0.26210 0.20680 0.29260 0.02970  0.00150  -0.02530 35  ASP D CB  
2174 C  CG  . ASP D 37 ? 0.36590 0.30860 0.39830 0.02500  0.00050  -0.02070 35  ASP D CG  
2175 O  OD1 . ASP D 37 ? 0.40770 0.34000 0.43840 0.02670  0.00030  -0.01780 35  ASP D OD1 
2176 O  OD2 . ASP D 37 ? 0.29410 0.24530 0.32900 0.01990  0.00000  -0.01980 35  ASP D OD2 
2177 N  N   . LEU D 38 ? 0.24840 0.19360 0.27240 0.04550  0.00440  -0.03320 36  LEU D N   
2178 C  CA  . LEU D 38 ? 0.24490 0.18890 0.26460 0.05010  0.00560  -0.03840 36  LEU D CA  
2179 C  C   . LEU D 38 ? 0.30090 0.22690 0.31350 0.05760  0.00560  -0.04050 36  LEU D C   
2180 O  O   . LEU D 38 ? 0.29720 0.21110 0.30370 0.05770  0.00530  -0.04540 36  LEU D O   
2181 C  CB  . LEU D 38 ? 0.26840 0.23270 0.29160 0.05470  0.00760  -0.03840 36  LEU D CB  
2182 C  CG  . LEU D 38 ? 0.23080 0.21150 0.25990 0.04700  0.00750  -0.03670 36  LEU D CG  
2183 C  CD1 . LEU D 38 ? 0.21850 0.21930 0.25100 0.05120  0.00950  -0.03640 36  LEU D CD1 
2184 C  CD2 . LEU D 38 ? 0.25660 0.23260 0.28360 0.03950  0.00700  -0.03960 36  LEU D CD2 
2185 N  N   . ASP D 39 ? 0.27690 0.19990 0.28940 0.06400  0.00580  -0.03690 37  ASP D N   
2186 C  CA  . ASP D 39 ? 0.29510 0.19840 0.29980 0.07150  0.00570  -0.03830 37  ASP D CA  
2187 C  C   . ASP D 39 ? 0.32240 0.20390 0.32270 0.06400  0.00360  -0.03910 37  ASP D C   
2188 O  O   . ASP D 39 ? 0.35750 0.22160 0.34990 0.06620  0.00300  -0.04370 37  ASP D O   
2189 C  CB  . ASP D 39 ? 0.35570 0.26060 0.36120 0.07950  0.00620  -0.03320 37  ASP D CB  
2190 C  CG  . ASP D 39 ? 0.39480 0.31960 0.40310 0.08920  0.00830  -0.03320 37  ASP D CG  
2191 O  OD1 . ASP D 39 ? 0.38860 0.32340 0.39690 0.09080  0.00960  -0.03730 37  ASP D OD1 
2192 O  OD2 . ASP D 39 ? 0.39010 0.32160 0.40060 0.09550  0.00850  -0.02870 37  ASP D OD2 
2193 N  N   . GLN D 40 ? 0.31670 0.19940 0.32190 0.05490  0.00240  -0.03490 38  GLN D N   
2194 C  CA  . GLN D 40 ? 0.32690 0.19140 0.32920 0.04730  0.00040  -0.03460 38  GLN D CA  
2195 C  C   . GLN D 40 ? 0.31990 0.17810 0.31870 0.04190  -0.00080 -0.04080 38  GLN D C   
2196 O  O   . GLN D 40 ? 0.32860 0.16750 0.32140 0.03940  -0.00250 -0.04310 38  GLN D O   
2197 C  CB  . GLN D 40 ? 0.32690 0.19850 0.33580 0.03900  -0.00020 -0.02890 38  GLN D CB  
2198 C  CG  . GLN D 40 ? 0.33660 0.19340 0.34400 0.03000  -0.00210 -0.02790 38  GLN D CG  
2199 C  CD  . GLN D 40 ? 0.37890 0.24500 0.39280 0.02280  -0.00230 -0.02230 38  GLN D CD  
2200 O  OE1 . GLN D 40 ? 0.36200 0.24350 0.38040 0.02480  -0.00130 -0.01950 38  GLN D OE1 
2201 N  NE2 . GLN D 40 ? 0.37920 0.23660 0.39320 0.01440  -0.00370 -0.02080 38  GLN D NE2 
2202 N  N   . TYR D 41 ? 0.31990 0.19400 0.32190 0.04000  -0.00010 -0.04350 39  TYR D N   
2203 C  CA  . TYR D 41 ? 0.27510 0.14580 0.27430 0.03440  -0.00140 -0.04880 39  TYR D CA  
2204 C  C   . TYR D 41 ? 0.33400 0.20500 0.32710 0.04180  -0.00030 -0.05500 39  TYR D C   
2205 O  O   . TYR D 41 ? 0.31750 0.18910 0.30810 0.03820  -0.00110 -0.05970 39  TYR D O   
2206 C  CB  . TYR D 41 ? 0.32240 0.20900 0.32830 0.02630  -0.00170 -0.04710 39  TYR D CB  
2207 C  CG  . TYR D 41 ? 0.31160 0.19840 0.32270 0.01950  -0.00260 -0.04140 39  TYR D CG  
2208 C  CD1 . TYR D 41 ? 0.38930 0.26290 0.39900 0.01280  -0.00470 -0.04080 39  TYR D CD1 
2209 C  CD2 . TYR D 41 ? 0.26410 0.16480 0.28110 0.01960  -0.00150 -0.03650 39  TYR D CD2 
2210 C  CE1 . TYR D 41 ? 0.39130 0.26690 0.40580 0.00690  -0.00520 -0.03510 39  TYR D CE1 
2211 C  CE2 . TYR D 41 ? 0.31920 0.22060 0.34010 0.01420  -0.00220 -0.03140 39  TYR D CE2 
2212 C  CZ  . TYR D 41 ? 0.37030 0.25990 0.39010 0.00820  -0.00380 -0.03050 39  TYR D CZ  
2213 O  OH  . TYR D 41 ? 0.36460 0.25670 0.38830 0.00330  -0.00410 -0.02500 39  TYR D OH  
2214 N  N   . GLY D 42 ? 0.31470 0.18600 0.30520 0.05260  0.00160  -0.05520 40  GLY D N   
2215 C  CA  . GLY D 42 ? 0.30970 0.18120 0.29360 0.06100  0.00300  -0.06110 40  GLY D CA  
2216 C  C   . GLY D 42 ? 0.33230 0.22620 0.32060 0.06060  0.00490  -0.06200 40  GLY D C   
2217 O  O   . GLY D 42 ? 0.30400 0.19840 0.28700 0.06310  0.00540  -0.06750 40  GLY D O   
2218 N  N   . MET D 43 ? 0.30150 0.21350 0.29890 0.05730  0.00580  -0.05680 41  MET D N   
2219 C  CA  . MET D 43 ? 0.27940 0.21190 0.28110 0.05530  0.00740  -0.05680 41  MET D CA  
2220 C  C   . MET D 43 ? 0.29270 0.24340 0.29880 0.06270  0.01010  -0.05410 41  MET D C   
2221 O  O   . MET D 43 ? 0.30440 0.27350 0.31560 0.05980  0.01130  -0.05250 41  MET D O   
2222 C  CB  . MET D 43 ? 0.24140 0.18020 0.24950 0.04430  0.00610  -0.05330 41  MET D CB  
2223 C  CG  . MET D 43 ? 0.24660 0.17220 0.25150 0.03660  0.00360  -0.05560 41  MET D CG  
2224 S  SD  . MET D 43 ? 0.32520 0.25280 0.32400 0.03670  0.00390  -0.06210 41  MET D SD  
2225 C  CE  . MET D 43 ? 0.28990 0.24140 0.29540 0.03400  0.00610  -0.05850 41  MET D CE  
2226 N  N   . ALA D 44 ? 0.30680 0.25290 0.31070 0.07230  0.01080  -0.05350 42  ALA D N   
2227 C  CA  . ALA D 44 ? 0.32200 0.28710 0.33090 0.07950  0.01300  -0.05030 42  ALA D CA  
2228 C  C   . ALA D 44 ? 0.30530 0.27860 0.31000 0.08960  0.01580  -0.05420 42  ALA D C   
2229 O  O   . ALA D 44 ? 0.34320 0.31760 0.34550 0.10100  0.01720  -0.05420 42  ALA D O   
2230 C  CB  . ALA D 44 ? 0.30650 0.26480 0.31590 0.08500  0.01230  -0.04650 42  ALA D CB  
2231 N  N   . SER D 45 ? 0.28750 0.26760 0.29110 0.08570  0.01670  -0.05730 43  SER D N   
2232 C  CA  . SER D 45 ? 0.32150 0.31140 0.32090 0.09460  0.01970  -0.06080 43  SER D CA  
2233 C  C   . SER D 45 ? 0.31900 0.32450 0.32140 0.08730  0.02090  -0.06100 43  SER D C   
2234 O  O   . SER D 45 ? 0.27280 0.27310 0.27640 0.07660  0.01890  -0.06060 43  SER D O   
2235 C  CB  . SER D 45 ? 0.39820 0.36610 0.38540 0.10190  0.01930  -0.06750 43  SER D CB  
2236 O  OG  . SER D 45 ? 0.38910 0.34410 0.37200 0.09310  0.01710  -0.07120 43  SER D OG  
2237 N  N   . ILE D 46 ? 0.29450 0.31950 0.29780 0.09360  0.02430  -0.06100 44  ILE D N   
2238 C  CA  . ILE D 46 ? 0.29480 0.33440 0.29960 0.08770  0.02590  -0.06100 44  ILE D CA  
2239 C  C   . ILE D 46 ? 0.31890 0.34200 0.31490 0.08450  0.02450  -0.06650 44  ILE D C   
2240 O  O   . ILE D 46 ? 0.30170 0.32760 0.29910 0.07500  0.02380  -0.06570 44  ILE D O   
2241 C  CB  . ILE D 46 ? 0.30550 0.36810 0.31140 0.09660  0.03020  -0.06050 44  ILE D CB  
2242 C  CG1 . ILE D 46 ? 0.31870 0.40000 0.33420 0.09930  0.03110  -0.05480 44  ILE D CG1 
2243 C  CG2 . ILE D 46 ? 0.38500 0.46250 0.39200 0.09010  0.03210  -0.05970 44  ILE D CG2 
2244 C  CD1 . ILE D 46 ? 0.32720 0.42060 0.35250 0.08650  0.02980  -0.04910 44  ILE D CD1 
2245 N  N   . GLU D 47 ? 0.33620 0.34150 0.32230 0.09260  0.02400  -0.07240 45  GLU D N   
2246 C  CA  . GLU D 47 ? 0.35730 0.34740 0.33420 0.08980  0.02230  -0.07830 45  GLU D CA  
2247 C  C   . GLU D 47 ? 0.36260 0.33920 0.34170 0.07750  0.01830  -0.07720 45  GLU D C   
2248 O  O   . GLU D 47 ? 0.32990 0.30640 0.30730 0.07030  0.01720  -0.07870 45  GLU D O   
2249 C  CB  . GLU D 47 ? 0.41130 0.38270 0.37640 0.10070  0.02190  -0.08510 45  GLU D CB  
2250 C  CG  . GLU D 47 ? 0.47360 0.45740 0.43560 0.11530  0.02600  -0.08630 45  GLU D CG  
2251 C  CD  . GLU D 47 ? 0.53480 0.51960 0.50110 0.12290  0.02670  -0.08260 45  GLU D CD  
2252 O  OE1 . GLU D 47 ? 0.46930 0.47000 0.44700 0.11820  0.02710  -0.07580 45  GLU D OE1 
2253 O  OE2 . GLU D 47 ? 0.65520 0.62500 0.61410 0.13030  0.02630  -0.08420 45  GLU D OE2 
2254 N  N   . ALA D 48 ? 0.30070 0.26720 0.28370 0.07520  0.01620  -0.07430 46  ALA D N   
2255 C  CA  . ALA D 48 ? 0.31690 0.27130 0.30200 0.06440  0.01270  -0.07310 46  ALA D CA  
2256 C  C   . ALA D 48 ? 0.25250 0.22230 0.24590 0.05490  0.01280  -0.06810 46  ALA D C   
2257 O  O   . ALA D 48 ? 0.27240 0.23800 0.26530 0.04680  0.01080  -0.06860 46  ALA D O   
2258 C  CB  . ALA D 48 ? 0.30930 0.25020 0.29610 0.06490  0.01090  -0.07050 46  ALA D CB  
2259 N  N   . ILE D 49 ? 0.26650 0.25370 0.26730 0.05600  0.01490  -0.06320 47  ILE D N   
2260 C  CA  . ILE D 49 ? 0.24400 0.24400 0.25160 0.04710  0.01490  -0.05850 47  ILE D CA  
2261 C  C   . ILE D 49 ? 0.23990 0.24820 0.24460 0.04440  0.01620  -0.06010 47  ILE D C   
2262 O  O   . ILE D 49 ? 0.23260 0.24050 0.23820 0.03620  0.01480  -0.05870 47  ILE D O   
2263 C  CB  . ILE D 49 ? 0.24090 0.25770 0.25640 0.04860  0.01650  -0.05340 47  ILE D CB  
2264 C  CG1 . ILE D 49 ? 0.23350 0.24190 0.25150 0.05060  0.01480  -0.05130 47  ILE D CG1 
2265 C  CG2 . ILE D 49 ? 0.20430 0.23310 0.22540 0.03920  0.01630  -0.04910 47  ILE D CG2 
2266 C  CD1 . ILE D 49 ? 0.24040 0.26510 0.26480 0.05510  0.01630  -0.04730 47  ILE D CD1 
2267 N  N   . THR D 50 ? 0.22890 0.24500 0.22940 0.05200  0.01900  -0.06290 48  THR D N   
2268 C  CA  . THR D 50 ? 0.22450 0.24840 0.22100 0.05050  0.02050  -0.06450 48  THR D CA  
2269 C  C   . THR D 50 ? 0.23250 0.24120 0.22270 0.04580  0.01760  -0.06850 48  THR D C   
2270 O  O   . THR D 50 ? 0.24500 0.25800 0.23510 0.03920  0.01720  -0.06700 48  THR D O   
2271 C  CB  . THR D 50 ? 0.29570 0.32820 0.28720 0.06120  0.02390  -0.06770 48  THR D CB  
2272 O  OG1 . THR D 50 ? 0.31710 0.36950 0.31580 0.06420  0.02690  -0.06300 48  THR D OG1 
2273 C  CG2 . THR D 50 ? 0.31540 0.35320 0.30080 0.06020  0.02520  -0.07010 48  THR D CG2 
2274 N  N   . THR D 51 ? 0.25100 0.24160 0.23560 0.04890  0.01520  -0.07330 49  THR D N   
2275 C  CA  . THR D 51 ? 0.24060 0.21740 0.21950 0.04390  0.01190  -0.07730 49  THR D CA  
2276 C  C   . THR D 51 ? 0.25270 0.22850 0.23760 0.03360  0.00950  -0.07300 49  THR D C   
2277 O  O   . THR D 51 ? 0.30010 0.27710 0.28300 0.02830  0.00820  -0.07350 49  THR D O   
2278 C  CB  . THR D 51 ? 0.30230 0.25880 0.27460 0.04790  0.00950  -0.08270 49  THR D CB  
2279 O  OG1 . THR D 51 ? 0.33850 0.29460 0.30300 0.05830  0.01170  -0.08760 49  THR D OG1 
2280 C  CG2 . THR D 51 ? 0.32400 0.26730 0.29180 0.04100  0.00550  -0.08630 49  THR D CG2 
2281 N  N   . GLN D 52 ? 0.25150 0.22540 0.24310 0.03140  0.00890  -0.06880 50  GLN D N   
2282 C  CA  . GLN D 52 ? 0.22650 0.19850 0.22280 0.02270  0.00660  -0.06510 50  GLN D CA  
2283 C  C   . GLN D 52 ? 0.20410 0.19030 0.20360 0.01830  0.00800  -0.06110 50  GLN D C   
2284 O  O   . GLN D 52 ? 0.21780 0.20290 0.21740 0.01230  0.00630  -0.05990 50  GLN D O   
2285 C  CB  . GLN D 52 ? 0.27400 0.24130 0.27600 0.02200  0.00580  -0.06150 50  GLN D CB  
2286 C  CG  . GLN D 52 ? 0.30520 0.27080 0.31160 0.01410  0.00370  -0.05780 50  GLN D CG  
2287 C  CD  . GLN D 52 ? 0.28840 0.24080 0.29570 0.01250  0.00150  -0.05740 50  GLN D CD  
2288 O  OE1 . GLN D 52 ? 0.31540 0.25570 0.31820 0.01520  0.00050  -0.06110 50  GLN D OE1 
2289 N  NE2 . GLN D 52 ? 0.27470 0.22860 0.28730 0.00810  0.00070  -0.05280 50  GLN D NE2 
2290 N  N   . VAL D 53 ? 0.19380 0.19350 0.19600 0.02130  0.01110  -0.05860 51  VAL D N   
2291 C  CA  . VAL D 53 ? 0.18650 0.19860 0.19100 0.01660  0.01240  -0.05450 51  VAL D CA  
2292 C  C   . VAL D 53 ? 0.19050 0.20400 0.18850 0.01580  0.01280  -0.05690 51  VAL D C   
2293 O  O   . VAL D 53 ? 0.19180 0.20710 0.18950 0.01020  0.01210  -0.05440 51  VAL D O   
2294 C  CB  . VAL D 53 ? 0.16700 0.19420 0.17580 0.01930  0.01550  -0.05140 51  VAL D CB  
2295 C  CG1 . VAL D 53 ? 0.17150 0.21060 0.18120 0.01400  0.01710  -0.04750 51  VAL D CG1 
2296 C  CG2 . VAL D 53 ? 0.17460 0.20150 0.18990 0.01890  0.01460  -0.04840 51  VAL D CG2 
2297 N  N   . THR D 54 ? 0.19290 0.20530 0.18490 0.02210  0.01380  -0.06190 52  THR D N   
2298 C  CA  . THR D 54 ? 0.18270 0.19740 0.16760 0.02230  0.01410  -0.06470 52  THR D CA  
2299 C  C   . THR D 54 ? 0.21890 0.22240 0.20070 0.01730  0.01020  -0.06670 52  THR D C   
2300 O  O   . THR D 54 ? 0.21900 0.22660 0.19880 0.01350  0.00990  -0.06510 52  THR D O   
2301 C  CB  . THR D 54 ? 0.20600 0.22070 0.18420 0.03110  0.01580  -0.07030 52  THR D CB  
2302 O  OG1 . THR D 54 ? 0.23190 0.25990 0.21360 0.03630  0.01960  -0.06790 52  THR D OG1 
2303 C  CG2 . THR D 54 ? 0.24090 0.25880 0.21060 0.03190  0.01610  -0.07340 52  THR D CG2 
2304 N  N   . ASN D 55 ? 0.22360 0.21360 0.20530 0.01710  0.00730  -0.06980 53  ASN D N   
2305 C  CA  . ASN D 55 ? 0.23580 0.21650 0.21450 0.01270  0.00340  -0.07250 53  ASN D CA  
2306 C  C   . ASN D 55 ? 0.26890 0.24730 0.25380 0.00590  0.00130  -0.06800 53  ASN D C   
2307 O  O   . ASN D 55 ? 0.26140 0.23690 0.24480 0.00170  -0.00150 -0.06880 53  ASN D O   
2308 C  CB  . ASN D 55 ? 0.26280 0.22930 0.23670 0.01540  0.00110  -0.07880 53  ASN D CB  
2309 C  CG  . ASN D 55 ? 0.34170 0.30820 0.30700 0.02280  0.00260  -0.08450 53  ASN D CG  
2310 O  OD1 . ASN D 55 ? 0.31450 0.29230 0.27660 0.02470  0.00480  -0.08440 53  ASN D OD1 
2311 N  ND2 . ASN D 55 ? 0.35260 0.30620 0.31350 0.02730  0.00160  -0.08950 53  ASN D ND2 
2312 N  N   . GLY D 56 ? 0.23010 0.21060 0.22170 0.00520  0.00250  -0.06340 54  GLY D N   
2313 C  CA  . GLY D 56 ? 0.18440 0.16140 0.18100 -0.00010 0.00050  -0.05980 54  GLY D CA  
2314 C  C   . GLY D 56 ? 0.23740 0.20230 0.23450 -0.00110 -0.00220 -0.06230 54  GLY D C   
2315 O  O   . GLY D 56 ? 0.26150 0.21890 0.25390 0.00180  -0.00300 -0.06730 54  GLY D O   
2316 N  N   . LYS D 57 ? 0.21650 0.17890 0.21860 -0.00510 -0.00360 -0.05880 55  LYS D N   
2317 C  CA  . LYS D 57 ? 0.24330 0.19520 0.24620 -0.00760 -0.00620 -0.06000 55  LYS D CA  
2318 C  C   . LYS D 57 ? 0.24430 0.19820 0.25260 -0.01240 -0.00730 -0.05510 55  LYS D C   
2319 O  O   . LYS D 57 ? 0.22480 0.18300 0.23700 -0.01190 -0.00570 -0.05090 55  LYS D O   
2320 C  CB  . LYS D 57 ? 0.26410 0.20770 0.26730 -0.00350 -0.00540 -0.06090 55  LYS D CB  
2321 C  CG  . LYS D 57 ? 0.33120 0.26230 0.33470 -0.00680 -0.00800 -0.06160 55  LYS D CG  
2322 C  CD  . LYS D 57 ? 0.39390 0.31520 0.39660 -0.00220 -0.00720 -0.06200 55  LYS D CD  
2323 C  CE  . LYS D 57 ? 0.48140 0.38940 0.48440 -0.00670 -0.00980 -0.06160 55  LYS D CE  
2324 N  NZ  . LYS D 57 ? 0.58770 0.48850 0.58600 -0.01120 -0.01300 -0.06650 55  LYS D NZ  
2325 N  N   . GLY D 58 ? 0.27960 0.23110 0.28810 -0.01700 -0.01010 -0.05590 56  GLY D N   
2326 C  CA  . GLY D 58 ? 0.22630 0.18110 0.23980 -0.02080 -0.01090 -0.05110 56  GLY D CA  
2327 C  C   . GLY D 58 ? 0.23350 0.19770 0.24770 -0.02000 -0.00930 -0.04770 56  GLY D C   
2328 O  O   . GLY D 58 ? 0.21040 0.17950 0.22090 -0.01940 -0.00920 -0.04890 56  GLY D O   
2329 N  N   . ALA D 59 ? 0.18950 0.15520 0.20730 -0.01960 -0.00810 -0.04330 57  ALA D N   
2330 C  CA  . ALA D 59 ? 0.18560 0.15740 0.20320 -0.01900 -0.00690 -0.04010 57  ALA D CA  
2331 C  C   . ALA D 59 ? 0.18410 0.15850 0.19980 -0.01630 -0.00470 -0.04040 57  ALA D C   
2332 O  O   . ALA D 59 ? 0.21180 0.19010 0.22620 -0.01650 -0.00390 -0.03790 57  ALA D O   
2333 C  CB  . ALA D 59 ? 0.19190 0.16400 0.21310 -0.01940 -0.00670 -0.03580 57  ALA D CB  
2334 N  N   . MET D 60 ? 0.19730 0.16970 0.21250 -0.01390 -0.00380 -0.04310 58  MET D N   
2335 C  CA  . MET D 60 ? 0.17500 0.15260 0.18900 -0.01150 -0.00150 -0.04310 58  MET D CA  
2336 C  C   . MET D 60 ? 0.18460 0.16600 0.19380 -0.01120 -0.00110 -0.04540 58  MET D C   
2337 O  O   . MET D 60 ? 0.17920 0.15760 0.18540 -0.01020 -0.00200 -0.04940 58  MET D O   
2338 C  CB  . MET D 60 ? 0.19340 0.16920 0.20860 -0.00760 -0.00040 -0.04490 58  MET D CB  
2339 C  CG  . MET D 60 ? 0.21200 0.19610 0.22680 -0.00510 0.00210  -0.04460 58  MET D CG  
2340 S  SD  . MET D 60 ? 0.15440 0.13910 0.17170 0.00040  0.00360  -0.04530 58  MET D SD  
2341 C  CE  . MET D 60 ? 0.15510 0.15030 0.16970 0.00400  0.00640  -0.04720 58  MET D CE  
2342 N  N   . PRO D 61 ? 0.16820 0.15550 0.17570 -0.01210 0.00020  -0.04280 59  PRO D N   
2343 C  CA  . PRO D 61 ? 0.19690 0.18830 0.19930 -0.01160 0.00100  -0.04420 59  PRO D CA  
2344 C  C   . PRO D 61 ? 0.18700 0.18180 0.18760 -0.00790 0.00290  -0.04740 59  PRO D C   
2345 O  O   . PRO D 61 ? 0.18070 0.17680 0.18430 -0.00550 0.00430  -0.04750 59  PRO D O   
2346 C  CB  . PRO D 61 ? 0.22680 0.22240 0.22820 -0.01380 0.00210  -0.03970 59  PRO D CB  
2347 C  CG  . PRO D 61 ? 0.21490 0.20990 0.22090 -0.01480 0.00250  -0.03700 59  PRO D CG  
2348 C  CD  . PRO D 61 ? 0.18730 0.17680 0.19700 -0.01380 0.00100  -0.03850 59  PRO D CD  
2349 N  N   . ALA D 62 ? 0.18240 0.17930 0.17740 -0.00680 0.00300  -0.05010 60  ALA D N   
2350 C  CA  . ALA D 62 ? 0.18480 0.18650 0.17660 -0.00250 0.00520  -0.05300 60  ALA D CA  
2351 C  C   . ALA D 62 ? 0.20800 0.22000 0.19980 -0.00300 0.00840  -0.04890 60  ALA D C   
2352 O  O   . ALA D 62 ? 0.25080 0.26470 0.24140 -0.00650 0.00840  -0.04510 60  ALA D O   
2353 C  CB  . ALA D 62 ? 0.18400 0.18370 0.16890 -0.00110 0.00380  -0.05780 60  ALA D CB  
2354 N  N   . PHE D 63 ? 0.17780 0.19660 0.17070 0.00080  0.01110  -0.04950 61  PHE D N   
2355 C  CA  . PHE D 63 ? 0.18310 0.21370 0.17670 -0.00030 0.01420  -0.04540 61  PHE D CA  
2356 C  C   . PHE D 63 ? 0.19740 0.23650 0.18600 0.00440  0.01700  -0.04770 61  PHE D C   
2357 O  O   . PHE D 63 ? 0.19770 0.24860 0.18700 0.00360  0.02010  -0.04390 61  PHE D O   
2358 C  CB  . PHE D 63 ? 0.15460 0.19050 0.15530 -0.00050 0.01540  -0.04250 61  PHE D CB  
2359 C  CG  . PHE D 63 ? 0.19830 0.22780 0.20320 -0.00530 0.01310  -0.03950 61  PHE D CG  
2360 C  CD1 . PHE D 63 ? 0.15650 0.17660 0.16370 -0.00420 0.01080  -0.04160 61  PHE D CD1 
2361 C  CD2 . PHE D 63 ? 0.18530 0.21780 0.19120 -0.01090 0.01340  -0.03460 61  PHE D CD2 
2362 C  CE1 . PHE D 63 ? 0.16880 0.18380 0.17930 -0.00800 0.00890  -0.03880 61  PHE D CE1 
2363 C  CE2 . PHE D 63 ? 0.22220 0.24780 0.23060 -0.01460 0.01110  -0.03230 61  PHE D CE2 
2364 C  CZ  . PHE D 63 ? 0.18420 0.20200 0.19500 -0.01280 0.00900  -0.03450 61  PHE D CZ  
2365 N  N   . GLY D 64 ? 0.18210 0.21570 0.16540 0.00900  0.01590  -0.05360 62  GLY D N   
2366 C  CA  . GLY D 64 ? 0.19250 0.23380 0.17020 0.01490  0.01860  -0.05670 62  GLY D CA  
2367 C  C   . GLY D 64 ? 0.23540 0.28590 0.20840 0.01320  0.02070  -0.05370 62  GLY D C   
2368 O  O   . GLY D 64 ? 0.22560 0.28740 0.19580 0.01730  0.02420  -0.05380 62  GLY D O   
2369 N  N   . SER D 65 ? 0.22190 0.26840 0.19350 0.00760  0.01870  -0.05080 63  SER D N   
2370 C  CA  . SER D 65 ? 0.25480 0.30890 0.22110 0.00600  0.02060  -0.04720 63  SER D CA  
2371 C  C   . SER D 65 ? 0.26580 0.32660 0.23650 0.00050  0.02290  -0.03940 63  SER D C   
2372 O  O   . SER D 65 ? 0.33930 0.40770 0.30600 -0.00100 0.02530  -0.03540 63  SER D O   
2373 C  CB  . SER D 65 ? 0.32160 0.36810 0.28260 0.00390  0.01730  -0.04810 63  SER D CB  
2374 O  OG  . SER D 65 ? 0.38050 0.41980 0.34590 -0.00130 0.01500  -0.04450 63  SER D OG  
2375 N  N   . LYS D 66 ? 0.23960 0.29740 0.21780 -0.00280 0.02200  -0.03720 64  LYS D N   
2376 C  CA  . LYS D 66 ? 0.26080 0.32230 0.24260 -0.00910 0.02310  -0.03040 64  LYS D CA  
2377 C  C   . LYS D 66 ? 0.29710 0.37160 0.28510 -0.00910 0.02610  -0.02810 64  LYS D C   
2378 O  O   . LYS D 66 ? 0.35800 0.43920 0.34770 -0.01470 0.02790  -0.02220 64  LYS D O   
2379 C  CB  . LYS D 66 ? 0.35310 0.40280 0.33840 -0.01330 0.01970  -0.02920 64  LYS D CB  
2380 C  CG  . LYS D 66 ? 0.40360 0.44250 0.38360 -0.01370 0.01680  -0.03030 64  LYS D CG  
2381 C  CD  . LYS D 66 ? 0.52470 0.55330 0.50810 -0.01660 0.01370  -0.02930 64  LYS D CD  
2382 C  CE  . LYS D 66 ? 0.38070 0.40600 0.36970 -0.01410 0.01220  -0.03340 64  LYS D CE  
2383 N  NZ  . LYS D 66 ? 0.46660 0.48180 0.45680 -0.01530 0.00900  -0.03390 64  LYS D NZ  
2384 N  N   . LEU D 67 ? 0.22890 0.30680 0.22010 -0.00320 0.02670  -0.03230 65  LEU D N   
2385 C  CA  . LEU D 67 ? 0.19430 0.28610 0.19190 -0.00200 0.02940  -0.03030 65  LEU D CA  
2386 C  C   . LEU D 67 ? 0.24420 0.34800 0.23860 0.00570  0.03300  -0.03300 65  LEU D C   
2387 O  O   . LEU D 67 ? 0.22540 0.32280 0.21340 0.01170  0.03240  -0.03860 65  LEU D O   
2388 C  CB  . LEU D 67 ? 0.18850 0.27540 0.19250 -0.00020 0.02730  -0.03240 65  LEU D CB  
2389 C  CG  . LEU D 67 ? 0.22110 0.29740 0.22820 -0.00710 0.02400  -0.02980 65  LEU D CG  
2390 C  CD1 . LEU D 67 ? 0.23110 0.30310 0.24370 -0.00450 0.02210  -0.03190 65  LEU D CD1 
2391 C  CD2 . LEU D 67 ? 0.22510 0.30920 0.23470 -0.01500 0.02500  -0.02330 65  LEU D CD2 
2392 N  N   . SER D 68 ? 0.23030 0.35210 0.22910 0.00570  0.03660  -0.02910 66  SER D N   
2393 C  CA  . SER D 68 ? 0.25160 0.38670 0.24790 0.01440  0.04040  -0.03160 66  SER D CA  
2394 C  C   . SER D 68 ? 0.19650 0.32710 0.19410 0.02340  0.03950  -0.03760 66  SER D C   
2395 O  O   . SER D 68 ? 0.20690 0.32880 0.20950 0.02200  0.03670  -0.03820 66  SER D O   
2396 C  CB  . SER D 68 ? 0.22980 0.38780 0.23170 0.01190  0.04460  -0.02520 66  SER D CB  
2397 O  OG  . SER D 68 ? 0.21300 0.37650 0.22450 0.00990  0.04380  -0.02300 66  SER D OG  
2398 N  N   . ALA D 69 ? 0.20850 0.34430 0.20050 0.03320  0.04200  -0.04220 67  ALA D N   
2399 C  CA  . ALA D 69 ? 0.18830 0.31980 0.18060 0.04280  0.04160  -0.04750 67  ALA D CA  
2400 C  C   . ALA D 69 ? 0.23990 0.38470 0.24240 0.04300  0.04280  -0.04340 67  ALA D C   
2401 O  O   . ALA D 69 ? 0.22340 0.35970 0.22900 0.04620  0.04060  -0.04560 67  ALA D O   
2402 C  CB  . ALA D 69 ? 0.24880 0.38480 0.23230 0.05400  0.04450  -0.05290 67  ALA D CB  
2403 N  N   . ASP D 70 ? 0.20150 0.36790 0.20960 0.03910  0.04620  -0.03700 68  ASP D N   
2404 C  CA  . ASP D 70 ? 0.18200 0.36330 0.20050 0.03800  0.04690  -0.03260 68  ASP D CA  
2405 C  C   . ASP D 70 ? 0.20060 0.37020 0.22500 0.02900  0.04250  -0.03040 68  ASP D C   
2406 O  O   . ASP D 70 ? 0.19160 0.36300 0.22190 0.03130  0.04120  -0.03030 68  ASP D O   
2407 C  CB  . ASP D 70 ? 0.18160 0.38880 0.20510 0.03360  0.05100  -0.02570 68  ASP D CB  
2408 C  CG  . ASP D 70 ? 0.26520 0.49120 0.28620 0.04490  0.05610  -0.02710 68  ASP D CG  
2409 O  OD1 . ASP D 70 ? 0.25100 0.46890 0.26590 0.05690  0.05630  -0.03390 68  ASP D OD1 
2410 O  OD2 . ASP D 70 ? 0.27000 0.51890 0.29470 0.04190  0.06000  -0.02130 68  ASP D OD2 
2411 N  N   . ASP D 71 ? 0.19330 0.35190 0.21560 0.01910  0.04030  -0.02830 69  ASP D N   
2412 C  CA  . ASP D 71 ? 0.15650 0.30270 0.18270 0.01140  0.03610  -0.02670 69  ASP D CA  
2413 C  C   . ASP D 71 ? 0.19570 0.32580 0.22100 0.01750  0.03320  -0.03200 69  ASP D C   
2414 O  O   . ASP D 71 ? 0.18920 0.31710 0.22020 0.01590  0.03090  -0.03080 69  ASP D O   
2415 C  CB  . ASP D 71 ? 0.21440 0.34730 0.23590 0.00280  0.03410  -0.02510 69  ASP D CB  
2416 C  CG  . ASP D 71 ? 0.24550 0.39020 0.26770 -0.00550 0.03620  -0.01870 69  ASP D CG  
2417 O  OD1 . ASP D 71 ? 0.29230 0.45500 0.32100 -0.00810 0.03820  -0.01440 69  ASP D OD1 
2418 O  OD2 . ASP D 71 ? 0.31970 0.45490 0.33550 -0.00960 0.03560  -0.01780 69  ASP D OD2 
2419 N  N   . ILE D 72 ? 0.17360 0.29130 0.19120 0.02370  0.03290  -0.03760 70  ILE D N   
2420 C  CA  . ILE D 72 ? 0.17960 0.27950 0.19540 0.02790  0.02980  -0.04230 70  ILE D CA  
2421 C  C   . ILE D 72 ? 0.22530 0.33100 0.24400 0.03720  0.03100  -0.04390 70  ILE D C   
2422 O  O   . ILE D 72 ? 0.19120 0.28860 0.21320 0.03810  0.02870  -0.04410 70  ILE D O   
2423 C  CB  . ILE D 72 ? 0.18730 0.27230 0.19390 0.03050  0.02870  -0.04790 70  ILE D CB  
2424 C  CG1 . ILE D 72 ? 0.20650 0.28480 0.21110 0.02130  0.02670  -0.04570 70  ILE D CG1 
2425 C  CG2 . ILE D 72 ? 0.21260 0.27970 0.21690 0.03500  0.02580  -0.05280 70  ILE D CG2 
2426 C  CD1 . ILE D 72 ? 0.22800 0.29380 0.22410 0.02260  0.02510  -0.05060 70  ILE D CD1 
2427 N  N   . ALA D 73 ? 0.19390 0.31470 0.21140 0.04480  0.03480  -0.04460 71  ALA D N   
2428 C  CA  . ALA D 73 ? 0.19210 0.32010 0.21220 0.05490  0.03620  -0.04560 71  ALA D CA  
2429 C  C   . ALA D 73 ? 0.22400 0.36360 0.25450 0.05060  0.03540  -0.04010 71  ALA D C   
2430 O  O   . ALA D 73 ? 0.20140 0.33640 0.23430 0.05560  0.03390  -0.04080 71  ALA D O   
2431 C  CB  . ALA D 73 ? 0.18320 0.32910 0.20060 0.06380  0.04100  -0.04650 71  ALA D CB  
2432 N  N   . ASP D 74 ? 0.19710 0.35080 0.23330 0.04090  0.03600  -0.03460 72  ASP D N   
2433 C  CA  . ASP D 74 ? 0.18900 0.35530 0.23470 0.03590  0.03490  -0.02960 72  ASP D CA  
2434 C  C   . ASP D 74 ? 0.17270 0.32110 0.21960 0.03040  0.03030  -0.02970 72  ASP D C   
2435 O  O   . ASP D 74 ? 0.19280 0.34430 0.24470 0.03240  0.02880  -0.02840 72  ASP D O   
2436 C  CB  . ASP D 74 ? 0.18170 0.36530 0.23180 0.02580  0.03640  -0.02380 72  ASP D CB  
2437 C  CG  . ASP D 74 ? 0.28390 0.49070 0.33490 0.03110  0.04130  -0.02240 72  ASP D CG  
2438 O  OD1 . ASP D 74 ? 0.24420 0.45530 0.29290 0.04360  0.04360  -0.02580 72  ASP D OD1 
2439 O  OD2 . ASP D 74 ? 0.25720 0.47740 0.31050 0.02280  0.04310  -0.01750 72  ASP D OD2 
2440 N  N   . VAL D 75 ? 0.18310 0.31370 0.22500 0.02420  0.02820  -0.03100 73  VAL D N   
2441 C  CA  . VAL D 75 ? 0.19710 0.31210 0.23990 0.01970  0.02420  -0.03090 73  VAL D CA  
2442 C  C   . VAL D 75 ? 0.16530 0.26780 0.20610 0.02850  0.02310  -0.03470 73  VAL D C   
2443 O  O   . VAL D 75 ? 0.16540 0.26270 0.20930 0.02790  0.02070  -0.03350 73  VAL D O   
2444 C  CB  . VAL D 75 ? 0.16110 0.26150 0.19940 0.01160  0.02230  -0.03100 73  VAL D CB  
2445 C  CG1 . VAL D 75 ? 0.20560 0.28990 0.23620 0.01600  0.02200  -0.03610 73  VAL D CG1 
2446 C  CG2 . VAL D 75 ? 0.18150 0.27250 0.22230 0.00530  0.01880  -0.02910 73  VAL D CG2 
2447 N  N   . ALA D 76 ? 0.19060 0.28760 0.22540 0.03680  0.02480  -0.03910 74  ALA D N   
2448 C  CA  . ALA D 76 ? 0.18220 0.26640 0.21410 0.04550  0.02380  -0.04260 74  ALA D CA  
2449 C  C   . ALA D 76 ? 0.23690 0.33420 0.27440 0.05220  0.02470  -0.04030 74  ALA D C   
2450 O  O   . ALA D 76 ? 0.23650 0.32470 0.27500 0.05500  0.02280  -0.04010 74  ALA D O   
2451 C  CB  . ALA D 76 ? 0.21210 0.28790 0.23540 0.05320  0.02530  -0.04830 74  ALA D CB  
2452 N  N   . SER D 77 ? 0.21570 0.33530 0.25700 0.05510  0.02780  -0.03820 75  SER D N   
2453 C  CA  . SER D 77 ? 0.20620 0.34170 0.25360 0.06160  0.02860  -0.03560 75  SER D CA  
2454 C  C   . SER D 77 ? 0.16860 0.30840 0.22340 0.05350  0.02560  -0.03110 75  SER D C   
2455 O  O   . SER D 77 ? 0.19740 0.33900 0.25520 0.05860  0.02440  -0.02990 75  SER D O   
2456 C  CB  . SER D 77 ? 0.20560 0.36720 0.25640 0.06500  0.03260  -0.03370 75  SER D CB  
2457 O  OG  . SER D 77 ? 0.29180 0.44990 0.33460 0.07340  0.03550  -0.03820 75  SER D OG  
2458 N  N   . TYR D 78 ? 0.16700 0.30770 0.22390 0.04130  0.02430  -0.02880 76  TYR D N   
2459 C  CA  . TYR D 78 ? 0.15730 0.30000 0.21960 0.03320  0.02110  -0.02520 76  TYR D CA  
2460 C  C   . TYR D 78 ? 0.19910 0.32120 0.25860 0.03450  0.01810  -0.02670 76  TYR D C   
2461 O  O   . TYR D 78 ? 0.19670 0.32190 0.25990 0.03590  0.01620  -0.02470 76  TYR D O   
2462 C  CB  . TYR D 78 ? 0.18830 0.33190 0.25110 0.02040  0.02030  -0.02300 76  TYR D CB  
2463 C  CG  . TYR D 78 ? 0.18110 0.32270 0.24730 0.01170  0.01660  -0.02020 76  TYR D CG  
2464 C  CD1 . TYR D 78 ? 0.15990 0.32060 0.23320 0.00810  0.01570  -0.01660 76  TYR D CD1 
2465 C  CD2 . TYR D 78 ? 0.17500 0.29620 0.23680 0.00720  0.01390  -0.02140 76  TYR D CD2 
2466 C  CE1 . TYR D 78 ? 0.19420 0.35210 0.26940 0.00020  0.01200  -0.01470 76  TYR D CE1 
2467 C  CE2 . TYR D 78 ? 0.21210 0.33090 0.27580 0.00020  0.01060  -0.01930 76  TYR D CE2 
2468 C  CZ  . TYR D 78 ? 0.21780 0.35410 0.28760 -0.00330 0.00950  -0.01630 76  TYR D CZ  
2469 O  OH  . TYR D 78 ? 0.25340 0.38640 0.32390 -0.01030 0.00590  -0.01480 76  TYR D OH  
2470 N  N   . VAL D 79 ? 0.18540 0.28710 0.23820 0.03390  0.01760  -0.03000 77  VAL D N   
2471 C  CA  . VAL D 79 ? 0.18760 0.27030 0.23790 0.03420  0.01490  -0.03090 77  VAL D CA  
2472 C  C   . VAL D 79 ? 0.22060 0.30070 0.27050 0.04490  0.01520  -0.03150 77  VAL D C   
2473 O  O   . VAL D 79 ? 0.20430 0.28020 0.25600 0.04540  0.01310  -0.02950 77  VAL D O   
2474 C  CB  . VAL D 79 ? 0.20850 0.27260 0.25230 0.03150  0.01440  -0.03420 77  VAL D CB  
2475 C  CG1 . VAL D 79 ? 0.18780 0.23330 0.22890 0.03350  0.01230  -0.03520 77  VAL D CG1 
2476 C  CG2 . VAL D 79 ? 0.17900 0.24340 0.22300 0.02110  0.01340  -0.03260 77  VAL D CG2 
2477 N  N   . LEU D 80 ? 0.21480 0.29680 0.26160 0.05410  0.01770  -0.03420 78  LEU D N   
2478 C  CA  . LEU D 80 ? 0.24260 0.32010 0.28750 0.06540  0.01800  -0.03490 78  LEU D CA  
2479 C  C   . LEU D 80 ? 0.23960 0.33570 0.29180 0.06810  0.01770  -0.03060 78  LEU D C   
2480 O  O   . LEU D 80 ? 0.24830 0.33820 0.30060 0.07250  0.01620  -0.02900 78  LEU D O   
2481 C  CB  . LEU D 80 ? 0.29530 0.37240 0.33460 0.07550  0.02100  -0.03890 78  LEU D CB  
2482 C  CG  . LEU D 80 ? 0.35290 0.41500 0.38610 0.08740  0.02110  -0.04120 78  LEU D CG  
2483 C  CD1 . LEU D 80 ? 0.33450 0.37040 0.36300 0.08310  0.01820  -0.04230 78  LEU D CD1 
2484 C  CD2 . LEU D 80 ? 0.35390 0.41450 0.37980 0.09730  0.02390  -0.04600 78  LEU D CD2 
2485 N  N   . ASP D 81 ? 0.24540 0.36490 0.30380 0.06480  0.01890  -0.02820 79  ASP D N   
2486 C  CA  . ASP D 81 ? 0.24130 0.38160 0.30730 0.06650  0.01830  -0.02420 79  ASP D CA  
2487 C  C   . ASP D 81 ? 0.27340 0.40920 0.34220 0.05860  0.01450  -0.02140 79  ASP D C   
2488 O  O   . ASP D 81 ? 0.24400 0.38470 0.31540 0.06330  0.01300  -0.01910 79  ASP D O   
2489 C  CB  . ASP D 81 ? 0.25210 0.41850 0.32420 0.06260  0.02030  -0.02210 79  ASP D CB  
2490 C  CG  . ASP D 81 ? 0.31030 0.50120 0.39110 0.06320  0.01940  -0.01780 79  ASP D CG  
2491 O  OD1 . ASP D 81 ? 0.32220 0.52220 0.40420 0.07510  0.02050  -0.01730 79  ASP D OD1 
2492 O  OD2 . ASP D 81 ? 0.31450 0.51560 0.40060 0.05180  0.01730  -0.01500 79  ASP D OD2 
2493 N  N   . GLN D 82 ? 0.21280 0.33930 0.28050 0.04720  0.01290  -0.02160 80  GLN D N   
2494 C  CA  . GLN D 82 ? 0.23240 0.35290 0.30130 0.04050  0.00940  -0.01960 80  GLN D CA  
2495 C  C   . GLN D 82 ? 0.24160 0.34370 0.30630 0.04640  0.00820  -0.02010 80  GLN D C   
2496 O  O   . GLN D 82 ? 0.23460 0.33790 0.30110 0.04670  0.00600  -0.01760 80  GLN D O   
2497 C  CB  . GLN D 82 ? 0.22310 0.33470 0.29000 0.02880  0.00820  -0.02010 80  GLN D CB  
2498 C  CG  . GLN D 82 ? 0.18730 0.31540 0.25810 0.02070  0.00850  -0.01850 80  GLN D CG  
2499 C  CD  . GLN D 82 ? 0.28780 0.43240 0.36470 0.01670  0.00600  -0.01530 80  GLN D CD  
2500 O  OE1 . GLN D 82 ? 0.30220 0.43990 0.37840 0.01360  0.00290  -0.01450 80  GLN D OE1 
2501 N  NE2 . GLN D 82 ? 0.30810 0.47540 0.39090 0.01680  0.00730  -0.01340 80  GLN D NE2 
2502 N  N   . SER D 83 ? 0.24660 0.33120 0.30530 0.05060  0.00960  -0.02310 81  SER D N   
2503 C  CA  . SER D 83 ? 0.25430 0.32000 0.30860 0.05500  0.00850  -0.02320 81  SER D CA  
2504 C  C   . SER D 83 ? 0.29040 0.36220 0.34570 0.06590  0.00880  -0.02120 81  SER D C   
2505 O  O   . SER D 83 ? 0.31100 0.37540 0.36560 0.06780  0.00710  -0.01880 81  SER D O   
2506 C  CB  . SER D 83 ? 0.25720 0.30360 0.30480 0.05670  0.00960  -0.02710 81  SER D CB  
2507 O  OG  . SER D 83 ? 0.34950 0.39770 0.39430 0.06670  0.01200  -0.02950 81  SER D OG  
2508 N  N   . GLU D 84 ? 0.28730 0.37370 0.34440 0.07350  0.01110  -0.02180 82  GLU D N   
2509 C  CA  . GLU D 84 ? 0.32800 0.42120 0.38570 0.08530  0.01150  -0.01980 82  GLU D CA  
2510 C  C   . GLU D 84 ? 0.38160 0.49250 0.44610 0.08300  0.00920  -0.01540 82  GLU D C   
2511 O  O   . GLU D 84 ? 0.43160 0.54130 0.49540 0.09050  0.00820  -0.01290 82  GLU D O   
2512 C  CB  . GLU D 84 ? 0.33200 0.43800 0.38960 0.09480  0.01470  -0.02170 82  GLU D CB  
2513 C  CG  . GLU D 84 ? 0.40640 0.49230 0.45520 0.09970  0.01660  -0.02650 82  GLU D CG  
2514 C  CD  . GLU D 84 ? 0.47040 0.56930 0.51820 0.10890  0.02000  -0.02880 82  GLU D CD  
2515 O  OE1 . GLU D 84 ? 0.60580 0.73080 0.66040 0.11230  0.02120  -0.02610 82  GLU D OE1 
2516 O  OE2 . GLU D 84 ? 0.53630 0.62010 0.57630 0.11280  0.02150  -0.03340 82  GLU D OE2 
2517 N  N   . LYS D 85 ? 0.36360 0.49010 0.43390 0.07270  0.00800  -0.01440 83  LYS D N   
2518 C  CA  . LYS D 85 ? 0.36140 0.50440 0.43750 0.06960  0.00520  -0.01080 83  LYS D CA  
2519 C  C   . LYS D 85 ? 0.42720 0.55840 0.50170 0.06010  0.00200  -0.00990 83  LYS D C   
2520 O  O   . LYS D 85 ? 0.42020 0.56280 0.49820 0.05720  -0.00080 -0.00740 83  LYS D O   
2521 C  CB  . LYS D 85 ? 0.39540 0.56560 0.47910 0.06460  0.00550  -0.00970 83  LYS D CB  
2522 C  CG  . LYS D 85 ? 0.39840 0.56830 0.48270 0.05200  0.00560  -0.01110 83  LYS D CG  
2523 C  CD  . LYS D 85 ? 0.40210 0.59950 0.49450 0.04530  0.00490  -0.00870 83  LYS D CD  
2524 C  CE  . LYS D 85 ? 0.42550 0.62550 0.51810 0.03710  0.00700  -0.00980 83  LYS D CE  
2525 N  NZ  . LYS D 85 ? 0.46840 0.68780 0.56730 0.02540  0.00520  -0.00720 83  LYS D NZ  
2526 N  N   . GLY D 86 ? 0.29960 0.40900 0.36870 0.05570  0.00220  -0.01200 84  GLY D N   
2527 C  CA  . GLY D 86 ? 0.34550 0.44170 0.41190 0.05020  -0.00030 -0.01090 84  GLY D CA  
2528 C  C   . GLY D 86 ? 0.38950 0.48470 0.45610 0.03800  -0.00190 -0.01170 84  GLY D C   
2529 O  O   . GLY D 86 ? 0.41740 0.50600 0.48210 0.03400  -0.00420 -0.01050 84  GLY D O   
2530 N  N   . TRP D 87 ? 0.29290 0.39340 0.36080 0.03250  -0.00070 -0.01350 85  TRP D N   
2531 C  CA  . TRP D 87 ? 0.29200 0.39060 0.35930 0.02130  -0.00210 -0.01410 85  TRP D CA  
2532 C  C   . TRP D 87 ? 0.30850 0.41640 0.37780 0.01590  -0.00560 -0.01220 85  TRP D C   
2533 O  O   . TRP D 87 ? 0.38520 0.48240 0.45100 0.01220  -0.00770 -0.01210 85  TRP D O   
2534 C  CB  . TRP D 87 ? 0.27130 0.34840 0.33280 0.01870  -0.00200 -0.01570 85  TRP D CB  
2535 C  CG  . TRP D 87 ? 0.24860 0.31750 0.30770 0.02140  0.00090  -0.01830 85  TRP D CG  
2536 C  CD1 . TRP D 87 ? 0.23700 0.29470 0.29330 0.02870  0.00230  -0.01940 85  TRP D CD1 
2537 C  CD2 . TRP D 87 ? 0.21720 0.28850 0.27580 0.01690  0.00240  -0.02000 85  TRP D CD2 
2538 N  NE1 . TRP D 87 ? 0.19630 0.24920 0.25010 0.02890  0.00430  -0.02240 85  TRP D NE1 
2539 C  CE2 . TRP D 87 ? 0.21040 0.27240 0.26580 0.02210  0.00460  -0.02260 85  TRP D CE2 
2540 C  CE3 . TRP D 87 ? 0.20180 0.28140 0.26170 0.00880  0.00200  -0.01950 85  TRP D CE3 
2541 C  CZ2 . TRP D 87 ? 0.19980 0.26180 0.25330 0.01990  0.00640  -0.02480 85  TRP D CZ2 
2542 C  CZ3 . TRP D 87 ? 0.17850 0.25780 0.23670 0.00660  0.00410  -0.02110 85  TRP D CZ3 
2543 C  CH2 . TRP D 87 ? 0.17230 0.24330 0.22730 0.01230  0.00630  -0.02380 85  TRP D CH2 
2544 FE FE  . HEC E .  ? 0.15180 0.13050 0.14100 -0.01150 -0.00660 -0.02090 101 HEC A FE  
2545 C  CHA . HEC E .  ? 0.16830 0.12830 0.14000 -0.01150 -0.00490 -0.01530 101 HEC A CHA 
2546 C  CHB . HEC E .  ? 0.15210 0.13980 0.13370 -0.00320 -0.00920 -0.01710 101 HEC A CHB 
2547 C  CHC . HEC E .  ? 0.17280 0.16380 0.17650 -0.01540 -0.00920 -0.02640 101 HEC A CHC 
2548 C  CHD . HEC E .  ? 0.13170 0.10670 0.12980 -0.01680 -0.00440 -0.02330 101 HEC A CHD 
2549 N  NA  . HEC E .  ? 0.17650 0.15000 0.15490 -0.00730 -0.00670 -0.01710 101 HEC A NA  
2550 C  C1A . HEC E .  ? 0.17460 0.13910 0.14610 -0.00750 -0.00590 -0.01500 101 HEC A C1A 
2551 C  C2A . HEC E .  ? 0.15670 0.11770 0.12040 -0.00290 -0.00640 -0.01240 101 HEC A C2A 
2552 C  C3A . HEC E .  ? 0.17800 0.14810 0.14480 0.00000  -0.00750 -0.01280 101 HEC A C3A 
2553 C  C4A . HEC E .  ? 0.14880 0.12670 0.12500 -0.00350 -0.00780 -0.01580 101 HEC A C4A 
2554 C  CMA . HEC E .  ? 0.24620 0.21820 0.20720 0.00610  -0.00840 -0.01030 101 HEC A CMA 
2555 C  CAA . HEC E .  ? 0.19690 0.14510 0.15020 -0.00190 -0.00600 -0.00950 101 HEC A CAA 
2556 C  CBA . HEC E .  ? 0.21400 0.15450 0.16570 -0.00050 -0.00640 -0.00930 101 HEC A CBA 
2557 C  CGA . HEC E .  ? 0.26110 0.18640 0.20200 -0.00060 -0.00640 -0.00720 101 HEC A CGA 
2558 O  O1A . HEC E .  ? 0.23410 0.15080 0.17070 0.00170  -0.00710 -0.00720 101 HEC A O1A 
2559 O  O2A . HEC E .  ? 0.27820 0.19920 0.21420 -0.00310 -0.00590 -0.00540 101 HEC A O2A 
2560 N  NB  . HEC E .  ? 0.14260 0.13110 0.13540 -0.01020 -0.00870 -0.02180 101 HEC A NB  
2561 C  C1B . HEC E .  ? 0.13510 0.12750 0.12430 -0.00690 -0.00970 -0.01990 101 HEC A C1B 
2562 C  C2B . HEC E .  ? 0.16480 0.16650 0.15880 -0.00820 -0.01160 -0.02160 101 HEC A C2B 
2563 C  C3B . HEC E .  ? 0.16680 0.16810 0.16670 -0.01210 -0.01170 -0.02420 101 HEC A C3B 
2564 C  C4B . HEC E .  ? 0.15350 0.14700 0.15270 -0.01280 -0.00970 -0.02440 101 HEC A C4B 
2565 C  CMB . HEC E .  ? 0.18120 0.19150 0.17370 -0.00490 -0.01320 -0.01970 101 HEC A CMB 
2566 C  CAB . HEC E .  ? 0.13700 0.14420 0.14310 -0.01580 -0.01370 -0.02680 101 HEC A CAB 
2567 C  CBB . HEC E .  ? 0.15850 0.17090 0.16200 -0.01660 -0.01570 -0.02940 101 HEC A CBB 
2568 N  NC  . HEC E .  ? 0.15160 0.13310 0.15040 -0.01470 -0.00650 -0.02420 101 HEC A NC  
2569 C  C1C . HEC E .  ? 0.15660 0.14230 0.16030 -0.01570 -0.00760 -0.02620 101 HEC A C1C 
2570 C  C2C . HEC E .  ? 0.13690 0.12070 0.14490 -0.01740 -0.00700 -0.02820 101 HEC A C2C 
2571 C  C3C . HEC E .  ? 0.14890 0.12950 0.15610 -0.01710 -0.00570 -0.02700 101 HEC A C3C 
2572 C  C4C . HEC E .  ? 0.13370 0.11250 0.13490 -0.01610 -0.00540 -0.02480 101 HEC A C4C 
2573 C  CMC . HEC E .  ? 0.17600 0.16060 0.18920 -0.01910 -0.00820 -0.03010 101 HEC A CMC 
2574 C  CAC . HEC E .  ? 0.14720 0.12610 0.15850 -0.01770 -0.00480 -0.02770 101 HEC A CAC 
2575 C  CBC . HEC E .  ? 0.20090 0.18070 0.21350 -0.01790 -0.00420 -0.03080 101 HEC A CBC 
2576 N  ND  . HEC E .  ? 0.15500 0.12510 0.14130 -0.01420 -0.00490 -0.01980 101 HEC A ND  
2577 C  C1D . HEC E .  ? 0.13190 0.10320 0.12330 -0.01660 -0.00420 -0.02130 101 HEC A C1D 
2578 C  C2D . HEC E .  ? 0.14860 0.11630 0.13690 -0.01920 -0.00330 -0.02010 101 HEC A C2D 
2579 C  C3D . HEC E .  ? 0.15450 0.11630 0.13430 -0.01830 -0.00350 -0.01750 101 HEC A C3D 
2580 C  C4D . HEC E .  ? 0.15950 0.12330 0.13840 -0.01450 -0.00440 -0.01750 101 HEC A C4D 
2581 C  CMD . HEC E .  ? 0.17690 0.14690 0.16940 -0.02210 -0.00240 -0.02080 101 HEC A CMD 
2582 C  CAD . HEC E .  ? 0.17820 0.13350 0.15160 -0.02130 -0.00290 -0.01510 101 HEC A CAD 
2583 C  CBD . HEC E .  ? 0.20760 0.16880 0.18100 -0.02320 -0.00140 -0.01500 101 HEC A CBD 
2584 C  CGD . HEC E .  ? 0.32670 0.28350 0.29490 -0.02740 -0.00040 -0.01200 101 HEC A CGD 
2585 O  O1D . HEC E .  ? 0.35580 0.30350 0.31570 -0.02700 -0.00090 -0.00920 101 HEC A O1D 
2586 O  O2D . HEC E .  ? 0.35810 0.32090 0.33030 -0.03110 0.00090  -0.01220 101 HEC A O2D 
2587 S  S   . SO4 F .  ? 0.53670 0.54580 0.50890 -0.02760 0.01140  -0.01550 102 SO4 A S   
2588 O  O1  . SO4 F .  ? 0.54570 0.56310 0.51420 -0.02800 0.01430  -0.01340 102 SO4 A O1  
2589 O  O2  . SO4 F .  ? 0.45710 0.46460 0.42880 -0.02300 0.00940  -0.01990 102 SO4 A O2  
2590 O  O3  . SO4 F .  ? 0.47730 0.49040 0.45730 -0.02850 0.01170  -0.01720 102 SO4 A O3  
2591 O  O4  . SO4 F .  ? 0.44120 0.43980 0.40930 -0.03050 0.01000  -0.01140 102 SO4 A O4  
2592 FE FE  . HEC G .  ? 0.16430 0.13570 0.14010 0.01140  -0.01480 -0.01270 101 HEC B FE  
2593 C  CHA . HEC G .  ? 0.17420 0.12420 0.12380 0.01740  -0.01710 -0.01900 101 HEC B CHA 
2594 C  CHB . HEC G .  ? 0.16310 0.13400 0.13090 0.00450  -0.02350 -0.01920 101 HEC B CHB 
2595 C  CHC . HEC G .  ? 0.15830 0.14500 0.15480 0.00990  -0.01250 -0.00620 101 HEC B CHC 
2596 C  CHD . HEC G .  ? 0.15890 0.13490 0.14560 0.01370  -0.00800 -0.00670 101 HEC B CHD 
2597 N  NA  . HEC G .  ? 0.19250 0.15350 0.15400 0.01040  -0.01940 -0.01820 101 HEC B NA  
2598 C  C1A . HEC G .  ? 0.18560 0.13690 0.13670 0.01270  -0.01990 -0.02060 101 HEC B C1A 
2599 C  C2A . HEC G .  ? 0.20480 0.14800 0.14690 0.00960  -0.02410 -0.02490 101 HEC B C2A 
2600 C  C3A . HEC G .  ? 0.18170 0.13220 0.12970 0.00540  -0.02600 -0.02480 101 HEC B C3A 
2601 C  C4A . HEC G .  ? 0.16900 0.13060 0.12890 0.00660  -0.02290 -0.02060 101 HEC B C4A 
2602 C  CMA . HEC G .  ? 0.22440 0.17230 0.16740 0.00000  -0.03080 -0.02850 101 HEC B CMA 
2603 C  CAA . HEC G .  ? 0.22900 0.15730 0.15680 0.01110  -0.02610 -0.02880 101 HEC B CAA 
2604 C  CBA . HEC G .  ? 0.21470 0.13550 0.14370 0.00630  -0.02580 -0.02930 101 HEC B CBA 
2605 C  CGA . HEC G .  ? 0.26010 0.16420 0.17490 0.00790  -0.02750 -0.03250 101 HEC B CGA 
2606 O  O1A . HEC G .  ? 0.27320 0.16930 0.18710 0.00370  -0.02770 -0.03290 101 HEC B O1A 
2607 O  O2A . HEC G .  ? 0.29790 0.19570 0.20140 0.01390  -0.02850 -0.03450 101 HEC B O2A 
2608 N  NB  . HEC G .  ? 0.14830 0.12720 0.13000 0.00850  -0.01720 -0.01250 101 HEC B NB  
2609 C  C1B . HEC G .  ? 0.15380 0.13260 0.13120 0.00610  -0.02080 -0.01540 101 HEC B C1B 
2610 C  C2B . HEC G .  ? 0.14980 0.13780 0.13390 0.00620  -0.02130 -0.01350 101 HEC B C2B 
2611 C  C3B . HEC G .  ? 0.14290 0.13400 0.13460 0.00800  -0.01810 -0.01000 101 HEC B C3B 
2612 C  C4B . HEC G .  ? 0.14200 0.12760 0.13220 0.00910  -0.01560 -0.00930 101 HEC B C4B 
2613 C  CMB . HEC G .  ? 0.20120 0.19410 0.18430 0.00310  -0.02530 -0.01580 101 HEC B CMB 
2614 C  CAB . HEC G .  ? 0.14320 0.14160 0.14270 0.00950  -0.01730 -0.00690 101 HEC B CAB 
2615 C  CBB . HEC G .  ? 0.17140 0.17540 0.16780 0.01380  -0.01860 -0.00490 101 HEC B CBB 
2616 N  NC  . HEC G .  ? 0.16850 0.14730 0.15760 0.01120  -0.01090 -0.00770 101 HEC B NC  
2617 C  C1C . HEC G .  ? 0.16460 0.14810 0.16100 0.01020  -0.01050 -0.00570 101 HEC B C1C 
2618 C  C2C . HEC G .  ? 0.15000 0.13530 0.15280 0.01030  -0.00770 -0.00230 101 HEC B C2C 
2619 C  C3C . HEC G .  ? 0.16130 0.14450 0.16250 0.01010  -0.00670 -0.00290 101 HEC B C3C 
2620 C  C4C . HEC G .  ? 0.14760 0.12680 0.13980 0.01160  -0.00850 -0.00580 101 HEC B C4C 
2621 C  CMC . HEC G .  ? 0.17750 0.16480 0.18810 0.00920  -0.00690 -0.00030 101 HEC B CMC 
2622 C  CAC . HEC G .  ? 0.15020 0.13480 0.15730 0.00870  -0.00450 -0.00070 101 HEC B CAC 
2623 C  CBC . HEC G .  ? 0.15900 0.14820 0.17020 0.00990  -0.00230 0.00430  101 HEC B CBC 
2624 N  ND  . HEC G .  ? 0.16940 0.13480 0.13950 0.01510  -0.01260 -0.01260 101 HEC B ND  
2625 C  C1D . HEC G .  ? 0.15140 0.12170 0.12790 0.01630  -0.00950 -0.00940 101 HEC B C1D 
2626 C  C2D . HEC G .  ? 0.19400 0.16210 0.16400 0.02100  -0.00850 -0.00930 101 HEC B C2D 
2627 C  C3D . HEC G .  ? 0.19710 0.15590 0.15470 0.02300  -0.01110 -0.01330 101 HEC B C3D 
2628 C  C4D . HEC G .  ? 0.17160 0.12930 0.13030 0.01840  -0.01380 -0.01520 101 HEC B C4D 
2629 C  CMD . HEC G .  ? 0.20450 0.17880 0.17870 0.02340  -0.00550 -0.00600 101 HEC B CMD 
2630 C  CAD . HEC G .  ? 0.20460 0.15680 0.15030 0.02940  -0.01110 -0.01490 101 HEC B CAD 
2631 C  CBD . HEC G .  ? 0.23910 0.19820 0.18160 0.03600  -0.00970 -0.01260 101 HEC B CBD 
2632 C  CGD . HEC G .  ? 0.33890 0.29390 0.26990 0.04420  -0.00890 -0.01370 101 HEC B CGD 
2633 O  O1D . HEC G .  ? 0.36480 0.30720 0.28350 0.04580  -0.01160 -0.01820 101 HEC B O1D 
2634 O  O2D . HEC G .  ? 0.39950 0.36410 0.33330 0.04920  -0.00560 -0.00990 101 HEC B O2D 
2635 S  S   . SO4 H .  ? 0.53520 0.64600 0.58770 0.04590  -0.02350 0.00730  102 SO4 B S   
2636 O  O1  . SO4 H .  ? 0.49090 0.60950 0.54910 0.05000  -0.02140 0.00700  102 SO4 B O1  
2637 O  O2  . SO4 H .  ? 0.49340 0.58380 0.54120 0.04740  -0.02050 0.00850  102 SO4 B O2  
2638 O  O3  . SO4 H .  ? 0.45820 0.58010 0.50950 0.05110  -0.02630 0.01030  102 SO4 B O3  
2639 O  O4  . SO4 H .  ? 0.42110 0.53410 0.47320 0.03520  -0.02570 0.00350  102 SO4 B O4  
2640 FE FE  . HEC I .  ? 0.15730 0.17840 0.20300 -0.00890 0.00770  0.03140  101 HEC C FE  
2641 C  CHA . HEC I .  ? 0.20110 0.19600 0.25310 -0.02060 0.00510  0.03030  101 HEC C CHA 
2642 C  CHB . HEC I .  ? 0.15410 0.19970 0.21400 -0.02020 0.01120  0.04610  101 HEC C CHB 
2643 C  CHC . HEC I .  ? 0.16190 0.20300 0.19580 0.00680  0.01040  0.03190  101 HEC C CHC 
2644 C  CHD . HEC I .  ? 0.16700 0.16970 0.20170 -0.00230 0.00360  0.01740  101 HEC C CHD 
2645 N  NA  . HEC I .  ? 0.13600 0.15520 0.19020 -0.01900 0.00790  0.03690  101 HEC C NA  
2646 C  C1A . HEC I .  ? 0.16810 0.17430 0.22360 -0.02330 0.00650  0.03530  101 HEC C C1A 
2647 C  C2A . HEC I .  ? 0.18760 0.19410 0.24850 -0.03110 0.00660  0.03980  101 HEC C C2A 
2648 C  C3A . HEC I .  ? 0.16250 0.18430 0.22640 -0.03180 0.00830  0.04450  101 HEC C C3A 
2649 C  C4A . HEC I .  ? 0.15090 0.18070 0.21030 -0.02340 0.00930  0.04260  101 HEC C C4A 
2650 C  CMA . HEC I .  ? 0.21820 0.24810 0.28900 -0.04010 0.00900  0.05100  101 HEC C CMA 
2651 C  CAA . HEC I .  ? 0.21660 0.20810 0.27890 -0.03730 0.00500  0.03910  101 HEC C CAA 
2652 C  CBA . HEC I .  ? 0.23170 0.21950 0.29480 -0.04040 0.00230  0.03200  101 HEC C CBA 
2653 C  CGA . HEC I .  ? 0.26860 0.24020 0.33130 -0.04570 0.00030  0.02970  101 HEC C CGA 
2654 O  O1A . HEC I .  ? 0.29720 0.26550 0.36030 -0.04890 -0.00200 0.02420  101 HEC C O1A 
2655 O  O2A . HEC I .  ? 0.33130 0.29270 0.39260 -0.04610 0.00100  0.03330  101 HEC C O2A 
2656 N  NB  . HEC I .  ? 0.14530 0.18600 0.19250 -0.00650 0.01050  0.03770  101 HEC C NB  
2657 C  C1B . HEC I .  ? 0.13200 0.18220 0.18580 -0.01160 0.01190  0.04380  101 HEC C C1B 
2658 C  C2B . HEC I .  ? 0.13570 0.20120 0.18820 -0.00640 0.01440  0.04770  101 HEC C C2B 
2659 C  C3B . HEC I .  ? 0.16790 0.23120 0.21250 0.00170  0.01410  0.04330  101 HEC C C3B 
2660 C  C4B . HEC I .  ? 0.15010 0.19780 0.19160 0.00110  0.01160  0.03730  101 HEC C C4B 
2661 C  CMB . HEC I .  ? 0.16280 0.24490 0.22260 -0.01060 0.01660  0.05510  101 HEC C CMB 
2662 C  CAB . HEC I .  ? 0.13070 0.20510 0.16940 0.01070  0.01610  0.04420  101 HEC C CAB 
2663 C  CBB . HEC I .  ? 0.14900 0.23300 0.18670 0.01390  0.01930  0.05110  101 HEC C CBB 
2664 N  NC  . HEC I .  ? 0.15990 0.18040 0.19610 -0.00020 0.00690  0.02560  101 HEC C NC  
2665 C  C1C . HEC I .  ? 0.14960 0.17820 0.18140 0.00550  0.00810  0.02650  101 HEC C C1C 
2666 C  C2C . HEC I .  ? 0.12590 0.14790 0.14980 0.01030  0.00660  0.02150  101 HEC C C2C 
2667 C  C3C . HEC I .  ? 0.12810 0.14070 0.15320 0.00690  0.00470  0.01750  101 HEC C C3C 
2668 C  C4C . HEC I .  ? 0.14760 0.15900 0.18000 0.00110  0.00500  0.02000  101 HEC C C4C 
2669 C  CMC . HEC I .  ? 0.14800 0.17350 0.16410 0.01730  0.00710  0.02010  101 HEC C CMC 
2670 C  CAC . HEC I .  ? 0.16280 0.16700 0.18220 0.00840  0.00260  0.01160  101 HEC C CAC 
2671 C  CBC . HEC I .  ? 0.15560 0.15720 0.16720 0.01320  0.00190  0.01030  101 HEC C CBC 
2672 N  ND  . HEC I .  ? 0.15960 0.16310 0.20410 -0.01070 0.00500  0.02480  101 HEC C ND  
2673 C  C1D . HEC I .  ? 0.12840 0.12740 0.16790 -0.00660 0.00380  0.01990  101 HEC C C1D 
2674 C  C2D . HEC I .  ? 0.16950 0.15890 0.20960 -0.00770 0.00280  0.01780  101 HEC C C2D 
2675 C  C3D . HEC I .  ? 0.15710 0.14270 0.20170 -0.01250 0.00330  0.02160  101 HEC C C3D 
2676 C  C4D . HEC I .  ? 0.15900 0.15400 0.20640 -0.01480 0.00460  0.02590  101 HEC C C4D 
2677 C  CMD . HEC I .  ? 0.18160 0.16580 0.21830 -0.00480 0.00140  0.01310  101 HEC C CMD 
2678 C  CAD . HEC I .  ? 0.21430 0.18840 0.25980 -0.01410 0.00270  0.02130  101 HEC C CAD 
2679 C  CBD . HEC I .  ? 0.24900 0.22210 0.29170 -0.00940 0.00360  0.02500  101 HEC C CBD 
2680 C  CGD . HEC I .  ? 0.28430 0.24620 0.32670 -0.00890 0.00320  0.02510  101 HEC C CGD 
2681 O  O1D . HEC I .  ? 0.32140 0.27610 0.36580 -0.01320 0.00340  0.02780  101 HEC C O1D 
2682 O  O2D . HEC I .  ? 0.32700 0.28710 0.36680 -0.00410 0.00260  0.02270  101 HEC C O2D 
2683 FE FE  . HEC J .  ? 0.15550 0.14630 0.18020 -0.00100 0.00360  -0.03890 101 HEC D FE  
2684 C  CHA . HEC J .  ? 0.16290 0.12890 0.18660 0.00400  0.00120  -0.04200 101 HEC D CHA 
2685 C  CHB . HEC J .  ? 0.17840 0.18580 0.20520 0.01190  0.00820  -0.04120 101 HEC D CHB 
2686 C  CHC . HEC J .  ? 0.18940 0.19910 0.21240 -0.00880 0.00600  -0.03440 101 HEC D CHC 
2687 C  CHD . HEC J .  ? 0.16080 0.14170 0.18470 -0.01040 -0.00020 -0.03460 101 HEC D CHD 
2688 N  NA  . HEC J .  ? 0.14170 0.12770 0.16650 0.00680  0.00440  -0.04160 101 HEC D NA  
2689 C  C1A . HEC J .  ? 0.15690 0.13130 0.18090 0.00840  0.00310  -0.04260 101 HEC D C1A 
2690 C  C2A . HEC J .  ? 0.20310 0.17590 0.22620 0.01540  0.00430  -0.04410 101 HEC D C2A 
2691 C  C3A . HEC J .  ? 0.15300 0.13860 0.17720 0.01820  0.00630  -0.04400 101 HEC D C3A 
2692 C  C4A . HEC J .  ? 0.15340 0.14730 0.17890 0.01220  0.00640  -0.04230 101 HEC D C4A 
2693 C  CMA . HEC J .  ? 0.21480 0.20560 0.23870 0.02670  0.00830  -0.04520 101 HEC D CMA 
2694 C  CAA . HEC J .  ? 0.21520 0.17400 0.23620 0.01880  0.00330  -0.04510 101 HEC D CAA 
2695 C  CBA . HEC J .  ? 0.20310 0.16270 0.22860 0.01800  0.00270  -0.04020 101 HEC D CBA 
2696 C  CGA . HEC J .  ? 0.27870 0.22410 0.30250 0.02020  0.00180  -0.03960 101 HEC D CGA 
2697 O  O1A . HEC J .  ? 0.25460 0.20020 0.28120 0.02110  0.00160  -0.03540 101 HEC D O1A 
2698 O  O2A . HEC J .  ? 0.27010 0.20330 0.28910 0.02080  0.00100  -0.04320 101 HEC D O2A 
2699 N  NB  . HEC J .  ? 0.13180 0.13810 0.15730 0.00050  0.00650  -0.03820 101 HEC D NB  
2700 C  C1B . HEC J .  ? 0.13550 0.14830 0.16220 0.00600  0.00830  -0.03930 101 HEC D C1B 
2701 C  C2B . HEC J .  ? 0.13950 0.16530 0.16660 0.00500  0.01040  -0.03810 101 HEC D C2B 
2702 C  C3B . HEC J .  ? 0.14040 0.16600 0.16650 -0.00150 0.00960  -0.03600 101 HEC D C3B 
2703 C  C4B . HEC J .  ? 0.16900 0.18220 0.19370 -0.00360 0.00720  -0.03630 101 HEC D C4B 
2704 C  CMB . HEC J .  ? 0.18410 0.22310 0.21350 0.01050  0.01300  -0.03820 101 HEC D CMB 
2705 C  CAB . HEC J .  ? 0.12880 0.16420 0.15450 -0.00610 0.01100  -0.03320 101 HEC D CAB 
2706 C  CBB . HEC J .  ? 0.14920 0.19140 0.17170 -0.00310 0.01360  -0.03500 101 HEC D CBB 
2707 N  NC  . HEC J .  ? 0.15440 0.14790 0.17790 -0.00790 0.00280  -0.03570 101 HEC D NC  
2708 C  C1C . HEC J .  ? 0.16480 0.16530 0.18710 -0.01030 0.00390  -0.03420 101 HEC D C1C 
2709 C  C2C . HEC J .  ? 0.14830 0.14520 0.16790 -0.01420 0.00270  -0.03240 101 HEC D C2C 
2710 C  C3C . HEC J .  ? 0.14070 0.13090 0.16100 -0.01410 0.00110  -0.03230 101 HEC D C3C 
2711 C  C4C . HEC J .  ? 0.15040 0.13820 0.17320 -0.01080 0.00110  -0.03430 101 HEC D C4C 
2712 C  CMC . HEC J .  ? 0.16610 0.16680 0.18320 -0.01800 0.00330  -0.02970 101 HEC D CMC 
2713 C  CAC . HEC J .  ? 0.15210 0.13780 0.17040 -0.01650 -0.00040 -0.03030 101 HEC D CAC 
2714 C  CBC . HEC J .  ? 0.19850 0.18350 0.21240 -0.01780 -0.00060 -0.03040 101 HEC D CBC 
2715 N  ND  . HEC J .  ? 0.14870 0.12610 0.17380 -0.00350 0.00090  -0.03840 101 HEC D ND  
2716 C  C1D . HEC J .  ? 0.13490 0.11090 0.15960 -0.00770 -0.00030 -0.03670 101 HEC D C1D 
2717 C  C2D . HEC J .  ? 0.14750 0.11570 0.17260 -0.00890 -0.00190 -0.03710 101 HEC D C2D 
2718 C  C3D . HEC J .  ? 0.15000 0.11210 0.17470 -0.00530 -0.00160 -0.03940 101 HEC D C3D 
2719 C  C4D . HEC J .  ? 0.15550 0.12400 0.18000 -0.00130 0.00020  -0.04020 101 HEC D C4D 
2720 C  CMD . HEC J .  ? 0.15360 0.12040 0.17900 -0.01270 -0.00340 -0.03540 101 HEC D CMD 
2721 C  CAD . HEC J .  ? 0.16470 0.11580 0.18880 -0.00590 -0.00310 -0.04050 101 HEC D CAD 
2722 C  CBD . HEC J .  ? 0.20450 0.15260 0.22480 -0.00790 -0.00430 -0.04480 101 HEC D CBD 
2723 C  CGD . HEC J .  ? 0.30980 0.24670 0.32910 -0.01040 -0.00640 -0.04620 101 HEC D CGD 
2724 O  O1D . HEC J .  ? 0.32430 0.25200 0.34170 -0.00730 -0.00630 -0.04770 101 HEC D O1D 
2725 O  O2D . HEC J .  ? 0.35340 0.29070 0.37360 -0.01560 -0.00820 -0.04580 101 HEC D O2D 
2726 S  S   . SO4 K .  ? 0.45520 0.44930 0.49540 0.02620  -0.00480 -0.00110 102 SO4 D S   
2727 O  O1  . SO4 K .  ? 0.51640 0.50310 0.55670 0.03070  -0.00330 -0.00140 102 SO4 D O1  
2728 O  O2  . SO4 K .  ? 0.42920 0.41640 0.46810 0.02050  -0.00440 -0.00190 102 SO4 D O2  
2729 O  O3  . SO4 K .  ? 0.41950 0.41600 0.45820 0.02950  -0.00570 0.00310  102 SO4 D O3  
2730 O  O4  . SO4 K .  ? 0.43230 0.43850 0.47470 0.02460  -0.00590 -0.00390 102 SO4 D O4  
# 
