data_9MT1
# 
_entry.id   9MT1 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9MT1         pdb_00009mt1 10.2210/pdb9mt1/pdb 
WWPDB D_1000290325 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-02-12 
# 
_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_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9MT1 
_pdbx_database_status.recvd_initial_deposition_date   2025-01-10 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              berrye@upstate.edu 
_pdbx_contact_author.name_first         Edward 
_pdbx_contact_author.name_last          Berry 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8929-0259 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zafreen, L.'  1 ?                   
'Huang, L.-S.' 2 0000-0003-1427-2544 
'Luemmen, P.'  3 ?                   
'Berry, E.A.'  4 0000-0001-8929-0259 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Crystal Structure of Insect Cytochrome c at different pH values.' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zafreen, L.'  1 ?                   
primary 'Huang, L.-S.' 2 0000-0003-1427-2544 
primary 'Luemmen, P.'  3 ?                   
primary 'Berry, E.A.'  4 0000-0001-8929-0259 
# 
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     nat 'Cytochrome c' 11658.432 2   ? ? ? ? 
2 non-polymer syn 'HEME C'       618.503   2   ? ? ? ? 
3 non-polymer syn METHANOL       32.042    1   ? ? ? ? 
4 non-polymer syn ETHANOL        46.068    2   ? ? ? ? 
5 non-polymer nat 'SODIUM ION'   22.990    1   ? ? ? ? 
6 water       nat water          18.015    350 ? ? ? ? 
# 
_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       
;GVPAGDVEKGKKIFVQRCAQCHTVEAGGKHKVGPNLHGLFGRKTGQAAGFAYTDANKAKGITWNEDTLFEYLENPKKYIP
GTKMIFAGLKKPNERGDLIAYLKSATK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GVPAGDVEKGKKIFVQRCAQCHTVEAGGKHKVGPNLHGLFGRKTGQAAGFAYTDANKAKGITWNEDTLFEYLENPKKYIP
GTKMIFAGLKKPNERGDLIAYLKSATK
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'HEME C'     HEC 
3 METHANOL     MOH 
4 ETHANOL      EOH 
5 'SODIUM ION' NA  
6 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   VAL n 
1 3   PRO n 
1 4   ALA n 
1 5   GLY n 
1 6   ASP n 
1 7   VAL n 
1 8   GLU n 
1 9   LYS n 
1 10  GLY n 
1 11  LYS n 
1 12  LYS n 
1 13  ILE n 
1 14  PHE n 
1 15  VAL n 
1 16  GLN n 
1 17  ARG n 
1 18  CYS n 
1 19  ALA n 
1 20  GLN n 
1 21  CYS n 
1 22  HIS n 
1 23  THR n 
1 24  VAL n 
1 25  GLU n 
1 26  ALA n 
1 27  GLY n 
1 28  GLY n 
1 29  LYS n 
1 30  HIS n 
1 31  LYS n 
1 32  VAL n 
1 33  GLY n 
1 34  PRO n 
1 35  ASN n 
1 36  LEU n 
1 37  HIS n 
1 38  GLY n 
1 39  LEU n 
1 40  PHE n 
1 41  GLY n 
1 42  ARG n 
1 43  LYS n 
1 44  THR n 
1 45  GLY n 
1 46  GLN n 
1 47  ALA n 
1 48  ALA n 
1 49  GLY n 
1 50  PHE n 
1 51  ALA n 
1 52  TYR n 
1 53  THR n 
1 54  ASP n 
1 55  ALA n 
1 56  ASN n 
1 57  LYS n 
1 58  ALA n 
1 59  LYS n 
1 60  GLY n 
1 61  ILE n 
1 62  THR n 
1 63  TRP n 
1 64  ASN n 
1 65  GLU n 
1 66  ASP n 
1 67  THR n 
1 68  LEU n 
1 69  PHE n 
1 70  GLU n 
1 71  TYR n 
1 72  LEU n 
1 73  GLU n 
1 74  ASN n 
1 75  PRO n 
1 76  LYS n 
1 77  LYS n 
1 78  TYR n 
1 79  ILE n 
1 80  PRO n 
1 81  GLY n 
1 82  THR n 
1 83  LYS n 
1 84  MET n 
1 85  ILE n 
1 86  PHE n 
1 87  ALA n 
1 88  GLY n 
1 89  LEU n 
1 90  LYS n 
1 91  LYS n 
1 92  PRO n 
1 93  ASN n 
1 94  GLU n 
1 95  ARG n 
1 96  GLY n 
1 97  ASP n 
1 98  LEU n 
1 99  ILE n 
1 100 ALA n 
1 101 TYR n 
1 102 LEU n 
1 103 LYS n 
1 104 SER n 
1 105 ALA n 
1 106 THR n 
1 107 LYS n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           107 
_entity_src_nat.common_name                'house fly' 
_entity_src_nat.pdbx_organism_scientific   'Musca domestica' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      7370 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     'wing muscle' 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 thorax 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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 
EOH non-polymer         . ETHANOL         ? 'C2 H6 O'          46.068  
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 
MOH non-polymer         . METHANOL        ? 'C H4 O'           32.042  
NA  non-polymer         . 'SODIUM ION'    ? 'Na 1'             22.990  
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'      165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'       115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'       105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'       119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'    204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'      181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'      117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   -3  -3  GLY GLY A . n 
A 1 2   VAL 2   -2  -2  VAL VAL A . n 
A 1 3   PRO 3   -1  -1  PRO PRO A . n 
A 1 4   ALA 4   0   0   ALA ALA A . n 
A 1 5   GLY 5   1   1   GLY GLY A . n 
A 1 6   ASP 6   2   2   ASP ASP A . n 
A 1 7   VAL 7   3   3   VAL VAL A . n 
A 1 8   GLU 8   4   4   GLU GLU A . n 
A 1 9   LYS 9   5   5   LYS LYS A . n 
A 1 10  GLY 10  6   6   GLY GLY A . n 
A 1 11  LYS 11  7   7   LYS LYS A . n 
A 1 12  LYS 12  8   8   LYS LYS A . n 
A 1 13  ILE 13  9   9   ILE ILE A . n 
A 1 14  PHE 14  10  10  PHE PHE A . n 
A 1 15  VAL 15  11  11  VAL VAL A . n 
A 1 16  GLN 16  12  12  GLN GLN A . n 
A 1 17  ARG 17  13  13  ARG ARG A . n 
A 1 18  CYS 18  14  14  CYS CYS A . n 
A 1 19  ALA 19  15  15  ALA ALA A . n 
A 1 20  GLN 20  16  16  GLN GLN A . n 
A 1 21  CYS 21  17  17  CYS CYS A . n 
A 1 22  HIS 22  18  18  HIS HIS A . n 
A 1 23  THR 23  19  19  THR THR A . n 
A 1 24  VAL 24  20  20  VAL VAL A . n 
A 1 25  GLU 25  21  21  GLU GLU A . n 
A 1 26  ALA 26  22  22  ALA ALA A . n 
A 1 27  GLY 27  23  23  GLY GLY A . n 
A 1 28  GLY 28  24  24  GLY GLY A . n 
A 1 29  LYS 29  25  25  LYS LYS A . n 
A 1 30  HIS 30  26  26  HIS HIS A . n 
A 1 31  LYS 31  27  27  LYS LYS A . n 
A 1 32  VAL 32  28  28  VAL VAL A . n 
A 1 33  GLY 33  29  29  GLY GLY A . n 
A 1 34  PRO 34  30  30  PRO PRO A . n 
A 1 35  ASN 35  31  31  ASN ASN A . n 
A 1 36  LEU 36  32  32  LEU LEU A . n 
A 1 37  HIS 37  33  33  HIS HIS A . n 
A 1 38  GLY 38  34  34  GLY GLY A . n 
A 1 39  LEU 39  35  35  LEU LEU A . n 
A 1 40  PHE 40  36  36  PHE PHE A . n 
A 1 41  GLY 41  37  37  GLY GLY A . n 
A 1 42  ARG 42  38  38  ARG ARG A . n 
A 1 43  LYS 43  39  39  LYS LYS A . n 
A 1 44  THR 44  40  40  THR THR A . n 
A 1 45  GLY 45  41  41  GLY GLY A . n 
A 1 46  GLN 46  42  42  GLN GLN A . n 
A 1 47  ALA 47  43  43  ALA ALA A . n 
A 1 48  ALA 48  44  44  ALA ALA A . n 
A 1 49  GLY 49  45  45  GLY GLY A . n 
A 1 50  PHE 50  46  46  PHE PHE A . n 
A 1 51  ALA 51  47  47  ALA ALA A . n 
A 1 52  TYR 52  48  48  TYR TYR A . n 
A 1 53  THR 53  49  49  THR THR A . n 
A 1 54  ASP 54  50  50  ASP ASP A . n 
A 1 55  ALA 55  51  51  ALA ALA A . n 
A 1 56  ASN 56  52  52  ASN ASN A . n 
A 1 57  LYS 57  53  53  LYS LYS A . n 
A 1 58  ALA 58  54  54  ALA ALA A . n 
A 1 59  LYS 59  55  55  LYS LYS A . n 
A 1 60  GLY 60  56  56  GLY GLY A . n 
A 1 61  ILE 61  57  57  ILE ILE A . n 
A 1 62  THR 62  58  58  THR THR A . n 
A 1 63  TRP 63  59  59  TRP TRP A . n 
A 1 64  ASN 64  60  60  ASN ASN A . n 
A 1 65  GLU 65  61  61  GLU GLU A . n 
A 1 66  ASP 66  62  62  ASP ASP A . n 
A 1 67  THR 67  63  63  THR THR A . n 
A 1 68  LEU 68  64  64  LEU LEU A . n 
A 1 69  PHE 69  65  65  PHE PHE A . n 
A 1 70  GLU 70  66  66  GLU GLU A . n 
A 1 71  TYR 71  67  67  TYR TYR A . n 
A 1 72  LEU 72  68  68  LEU LEU A . n 
A 1 73  GLU 73  69  69  GLU GLU A . n 
A 1 74  ASN 74  70  70  ASN ASN A . n 
A 1 75  PRO 75  71  71  PRO PRO A . n 
A 1 76  LYS 76  72  72  LYS LYS A . n 
A 1 77  LYS 77  73  73  LYS LYS A . n 
A 1 78  TYR 78  74  74  TYR TYR A . n 
A 1 79  ILE 79  75  75  ILE ILE A . n 
A 1 80  PRO 80  76  76  PRO PRO A . n 
A 1 81  GLY 81  77  77  GLY GLY A . n 
A 1 82  THR 82  78  78  THR THR A . n 
A 1 83  LYS 83  79  79  LYS LYS A . n 
A 1 84  MET 84  80  80  MET MET A . n 
A 1 85  ILE 85  81  81  ILE ILE A . n 
A 1 86  PHE 86  82  82  PHE PHE A . n 
A 1 87  ALA 87  83  83  ALA ALA A . n 
A 1 88  GLY 88  84  84  GLY GLY A . n 
A 1 89  LEU 89  85  85  LEU LEU A . n 
A 1 90  LYS 90  86  86  LYS LYS A . n 
A 1 91  LYS 91  87  87  LYS LYS A . n 
A 1 92  PRO 92  88  88  PRO PRO A . n 
A 1 93  ASN 93  89  89  ASN ASN A . n 
A 1 94  GLU 94  90  90  GLU GLU A . n 
A 1 95  ARG 95  91  91  ARG ARG A . n 
A 1 96  GLY 96  92  92  GLY GLY A . n 
A 1 97  ASP 97  93  93  ASP ASP A . n 
A 1 98  LEU 98  94  94  LEU LEU A . n 
A 1 99  ILE 99  95  95  ILE ILE A . n 
A 1 100 ALA 100 96  96  ALA ALA A . n 
A 1 101 TYR 101 97  97  TYR TYR A . n 
A 1 102 LEU 102 98  98  LEU LEU A . n 
A 1 103 LYS 103 99  99  LYS LYS A . n 
A 1 104 SER 104 100 100 SER SER A . n 
A 1 105 ALA 105 101 101 ALA ALA A . n 
A 1 106 THR 106 102 102 THR THR A . n 
A 1 107 LYS 107 103 103 LYS LYS A . n 
B 1 1   GLY 1   -3  -3  GLY GLY B . n 
B 1 2   VAL 2   -2  -2  VAL VAL B . n 
B 1 3   PRO 3   -1  -1  PRO PRO B . n 
B 1 4   ALA 4   0   0   ALA ALA B . n 
B 1 5   GLY 5   1   1   GLY GLY B . n 
B 1 6   ASP 6   2   2   ASP ASP B . n 
B 1 7   VAL 7   3   3   VAL VAL B . n 
B 1 8   GLU 8   4   4   GLU GLU B . n 
B 1 9   LYS 9   5   5   LYS LYS B . n 
B 1 10  GLY 10  6   6   GLY GLY B . n 
B 1 11  LYS 11  7   7   LYS LYS B . n 
B 1 12  LYS 12  8   8   LYS LYS B . n 
B 1 13  ILE 13  9   9   ILE ILE B . n 
B 1 14  PHE 14  10  10  PHE PHE B . n 
B 1 15  VAL 15  11  11  VAL VAL B . n 
B 1 16  GLN 16  12  12  GLN GLN B . n 
B 1 17  ARG 17  13  13  ARG ARG B . n 
B 1 18  CYS 18  14  14  CYS CYS B . n 
B 1 19  ALA 19  15  15  ALA ALA B . n 
B 1 20  GLN 20  16  16  GLN GLN B . n 
B 1 21  CYS 21  17  17  CYS CYS B . n 
B 1 22  HIS 22  18  18  HIS HIS B . n 
B 1 23  THR 23  19  19  THR THR B . n 
B 1 24  VAL 24  20  20  VAL VAL B . n 
B 1 25  GLU 25  21  21  GLU GLU B . n 
B 1 26  ALA 26  22  22  ALA ALA B . n 
B 1 27  GLY 27  23  23  GLY GLY B . n 
B 1 28  GLY 28  24  24  GLY GLY B . n 
B 1 29  LYS 29  25  25  LYS LYS B . n 
B 1 30  HIS 30  26  26  HIS HIS B . n 
B 1 31  LYS 31  27  27  LYS LYS B . n 
B 1 32  VAL 32  28  28  VAL VAL B . n 
B 1 33  GLY 33  29  29  GLY GLY B . n 
B 1 34  PRO 34  30  30  PRO PRO B . n 
B 1 35  ASN 35  31  31  ASN ASN B . n 
B 1 36  LEU 36  32  32  LEU LEU B . n 
B 1 37  HIS 37  33  33  HIS HIS B . n 
B 1 38  GLY 38  34  34  GLY GLY B . n 
B 1 39  LEU 39  35  35  LEU LEU B . n 
B 1 40  PHE 40  36  36  PHE PHE B . n 
B 1 41  GLY 41  37  37  GLY GLY B . n 
B 1 42  ARG 42  38  38  ARG ARG B . n 
B 1 43  LYS 43  39  39  LYS LYS B . n 
B 1 44  THR 44  40  40  THR THR B . n 
B 1 45  GLY 45  41  41  GLY GLY B . n 
B 1 46  GLN 46  42  42  GLN GLN B . n 
B 1 47  ALA 47  43  43  ALA ALA B . n 
B 1 48  ALA 48  44  44  ALA ALA B . n 
B 1 49  GLY 49  45  45  GLY GLY B . n 
B 1 50  PHE 50  46  46  PHE PHE B . n 
B 1 51  ALA 51  47  47  ALA ALA B . n 
B 1 52  TYR 52  48  48  TYR TYR B . n 
B 1 53  THR 53  49  49  THR THR B . n 
B 1 54  ASP 54  50  50  ASP ASP B . n 
B 1 55  ALA 55  51  51  ALA ALA B . n 
B 1 56  ASN 56  52  52  ASN ASN B . n 
B 1 57  LYS 57  53  53  LYS LYS B . n 
B 1 58  ALA 58  54  54  ALA ALA B . n 
B 1 59  LYS 59  55  55  LYS LYS B . n 
B 1 60  GLY 60  56  56  GLY GLY B . n 
B 1 61  ILE 61  57  57  ILE ILE B . n 
B 1 62  THR 62  58  58  THR THR B . n 
B 1 63  TRP 63  59  59  TRP TRP B . n 
B 1 64  ASN 64  60  60  ASN ASN B . n 
B 1 65  GLU 65  61  61  GLU GLU B . n 
B 1 66  ASP 66  62  62  ASP ASP B . n 
B 1 67  THR 67  63  63  THR THR B . n 
B 1 68  LEU 68  64  64  LEU LEU B . n 
B 1 69  PHE 69  65  65  PHE PHE B . n 
B 1 70  GLU 70  66  66  GLU GLU B . n 
B 1 71  TYR 71  67  67  TYR TYR B . n 
B 1 72  LEU 72  68  68  LEU LEU B . n 
B 1 73  GLU 73  69  69  GLU GLU B . n 
B 1 74  ASN 74  70  70  ASN ASN B . n 
B 1 75  PRO 75  71  71  PRO PRO B . n 
B 1 76  LYS 76  72  72  LYS LYS B . n 
B 1 77  LYS 77  73  73  LYS LYS B . n 
B 1 78  TYR 78  74  74  TYR TYR B . n 
B 1 79  ILE 79  75  75  ILE ILE B . n 
B 1 80  PRO 80  76  76  PRO PRO B . n 
B 1 81  GLY 81  77  77  GLY GLY B . n 
B 1 82  THR 82  78  78  THR THR B . n 
B 1 83  LYS 83  79  79  LYS LYS B . n 
B 1 84  MET 84  80  80  MET MET B . n 
B 1 85  ILE 85  81  81  ILE ILE B . n 
B 1 86  PHE 86  82  82  PHE PHE B . n 
B 1 87  ALA 87  83  83  ALA ALA B . n 
B 1 88  GLY 88  84  84  GLY GLY B . n 
B 1 89  LEU 89  85  85  LEU LEU B . n 
B 1 90  LYS 90  86  86  LYS LYS B . n 
B 1 91  LYS 91  87  87  LYS LYS B . n 
B 1 92  PRO 92  88  88  PRO PRO B . n 
B 1 93  ASN 93  89  89  ASN ASN B . n 
B 1 94  GLU 94  90  90  GLU GLU B . n 
B 1 95  ARG 95  91  91  ARG ARG B . n 
B 1 96  GLY 96  92  92  GLY GLY B . n 
B 1 97  ASP 97  93  93  ASP ASP B . n 
B 1 98  LEU 98  94  94  LEU LEU B . n 
B 1 99  ILE 99  95  95  ILE ILE B . n 
B 1 100 ALA 100 96  96  ALA ALA B . n 
B 1 101 TYR 101 97  97  TYR TYR B . n 
B 1 102 LEU 102 98  98  LEU LEU B . n 
B 1 103 LYS 103 99  99  LYS LYS B . n 
B 1 104 SER 104 100 100 SER SER B . n 
B 1 105 ALA 105 101 101 ALA ALA B . n 
B 1 106 THR 106 102 102 THR THR B . n 
B 1 107 LYS 107 103 103 LYS LYS B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        HEC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   HEC 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 HEC 1   201 201 HEC HEC A . 
D 3 MOH 1   202 202 MOH MOH A . 
E 4 EOH 1   203 203 EOH EOH A . 
F 2 HEC 1   201 201 HEC HEC B . 
G 4 EOH 1   202 202 EOH EOH B . 
H 5 NA  1   203 203 NA  NA  B . 
I 6 HOH 1   301 302 HOH HOH A . 
I 6 HOH 2   302 306 HOH HOH A . 
I 6 HOH 3   303 314 HOH HOH A . 
I 6 HOH 4   304 309 HOH HOH A . 
I 6 HOH 5   305 304 HOH HOH A . 
I 6 HOH 6   306 301 HOH HOH A . 
I 6 HOH 7   307 303 HOH HOH A . 
I 6 HOH 8   308 311 HOH HOH A . 
I 6 HOH 9   309 305 HOH HOH A . 
I 6 HOH 10  310 310 HOH HOH A . 
I 6 HOH 11  311 414 HOH HOH A . 
I 6 HOH 12  312 345 HOH HOH A . 
I 6 HOH 13  313 312 HOH HOH A . 
I 6 HOH 14  314 412 HOH HOH A . 
I 6 HOH 15  315 307 HOH HOH A . 
I 6 HOH 16  316 365 HOH HOH A . 
I 6 HOH 17  317 313 HOH HOH A . 
I 6 HOH 18  318 308 HOH HOH A . 
I 6 HOH 19  319 316 HOH HOH A . 
I 6 HOH 20  320 329 HOH HOH A . 
I 6 HOH 21  321 340 HOH HOH A . 
I 6 HOH 22  322 370 HOH HOH A . 
I 6 HOH 23  323 337 HOH HOH A . 
I 6 HOH 24  324 321 HOH HOH A . 
I 6 HOH 25  325 335 HOH HOH A . 
I 6 HOH 26  326 315 HOH HOH A . 
I 6 HOH 27  327 323 HOH HOH A . 
I 6 HOH 28  328 317 HOH HOH A . 
I 6 HOH 29  329 338 HOH HOH A . 
I 6 HOH 30  330 324 HOH HOH A . 
I 6 HOH 31  331 325 HOH HOH A . 
I 6 HOH 32  332 359 HOH HOH A . 
I 6 HOH 33  333 331 HOH HOH A . 
I 6 HOH 34  334 347 HOH HOH A . 
I 6 HOH 35  335 322 HOH HOH A . 
I 6 HOH 36  336 333 HOH HOH A . 
I 6 HOH 37  337 342 HOH HOH A . 
I 6 HOH 38  338 319 HOH HOH A . 
I 6 HOH 39  339 332 HOH HOH A . 
I 6 HOH 40  340 349 HOH HOH A . 
I 6 HOH 41  341 334 HOH HOH A . 
I 6 HOH 42  342 354 HOH HOH A . 
I 6 HOH 43  343 341 HOH HOH A . 
I 6 HOH 44  344 336 HOH HOH A . 
I 6 HOH 45  345 351 HOH HOH A . 
I 6 HOH 46  346 348 HOH HOH A . 
I 6 HOH 47  347 339 HOH HOH A . 
I 6 HOH 48  348 353 HOH HOH A . 
I 6 HOH 49  349 350 HOH HOH A . 
I 6 HOH 50  350 343 HOH HOH A . 
I 6 HOH 51  351 346 HOH HOH A . 
I 6 HOH 52  352 458 HOH HOH A . 
I 6 HOH 53  353 330 HOH HOH A . 
I 6 HOH 54  354 392 HOH HOH A . 
I 6 HOH 55  355 381 HOH HOH A . 
I 6 HOH 56  356 367 HOH HOH A . 
I 6 HOH 57  357 344 HOH HOH A . 
I 6 HOH 58  358 368 HOH HOH A . 
I 6 HOH 59  359 328 HOH HOH A . 
I 6 HOH 60  360 375 HOH HOH A . 
I 6 HOH 61  361 356 HOH HOH A . 
I 6 HOH 62  362 327 HOH HOH A . 
I 6 HOH 63  363 422 HOH HOH A . 
I 6 HOH 64  364 352 HOH HOH A . 
I 6 HOH 65  365 361 HOH HOH A . 
I 6 HOH 66  366 355 HOH HOH A . 
I 6 HOH 67  367 394 HOH HOH A . 
I 6 HOH 68  368 363 HOH HOH A . 
I 6 HOH 69  369 374 HOH HOH A . 
I 6 HOH 70  370 411 HOH HOH A . 
I 6 HOH 71  371 358 HOH HOH A . 
I 6 HOH 72  372 384 HOH HOH A . 
I 6 HOH 73  373 380 HOH HOH A . 
I 6 HOH 74  374 320 HOH HOH A . 
I 6 HOH 75  375 383 HOH HOH A . 
I 6 HOH 76  376 362 HOH HOH A . 
I 6 HOH 77  377 364 HOH HOH A . 
I 6 HOH 78  378 389 HOH HOH A . 
I 6 HOH 79  379 372 HOH HOH A . 
I 6 HOH 80  380 386 HOH HOH A . 
I 6 HOH 81  381 360 HOH HOH A . 
I 6 HOH 82  382 357 HOH HOH A . 
I 6 HOH 83  383 378 HOH HOH A . 
I 6 HOH 84  384 377 HOH HOH A . 
I 6 HOH 85  385 326 HOH HOH A . 
I 6 HOH 86  386 440 HOH HOH A . 
I 6 HOH 87  387 385 HOH HOH A . 
I 6 HOH 88  388 376 HOH HOH A . 
I 6 HOH 89  389 388 HOH HOH A . 
I 6 HOH 90  390 382 HOH HOH A . 
I 6 HOH 91  391 373 HOH HOH A . 
I 6 HOH 92  392 371 HOH HOH A . 
I 6 HOH 93  393 379 HOH HOH A . 
I 6 HOH 94  394 413 HOH HOH A . 
I 6 HOH 95  395 369 HOH HOH A . 
I 6 HOH 96  396 424 HOH HOH A . 
I 6 HOH 97  397 400 HOH HOH A . 
I 6 HOH 98  398 396 HOH HOH A . 
I 6 HOH 99  399 473 HOH HOH A . 
I 6 HOH 100 400 390 HOH HOH A . 
I 6 HOH 101 401 397 HOH HOH A . 
I 6 HOH 102 402 404 HOH HOH A . 
I 6 HOH 103 403 395 HOH HOH A . 
I 6 HOH 104 404 393 HOH HOH A . 
I 6 HOH 105 405 366 HOH HOH A . 
I 6 HOH 106 406 391 HOH HOH A . 
I 6 HOH 107 407 401 HOH HOH A . 
I 6 HOH 108 408 399 HOH HOH A . 
I 6 HOH 109 409 431 HOH HOH A . 
I 6 HOH 110 410 461 HOH HOH A . 
I 6 HOH 111 411 408 HOH HOH A . 
I 6 HOH 112 412 407 HOH HOH A . 
I 6 HOH 113 413 426 HOH HOH A . 
I 6 HOH 114 414 405 HOH HOH A . 
I 6 HOH 115 415 402 HOH HOH A . 
I 6 HOH 116 416 406 HOH HOH A . 
I 6 HOH 117 417 403 HOH HOH A . 
I 6 HOH 118 418 387 HOH HOH A . 
I 6 HOH 119 419 410 HOH HOH A . 
I 6 HOH 120 420 416 HOH HOH A . 
I 6 HOH 121 421 415 HOH HOH A . 
I 6 HOH 122 422 477 HOH HOH A . 
I 6 HOH 123 423 409 HOH HOH A . 
I 6 HOH 124 424 418 HOH HOH A . 
I 6 HOH 125 425 417 HOH HOH A . 
I 6 HOH 126 426 466 HOH HOH A . 
I 6 HOH 127 427 463 HOH HOH A . 
I 6 HOH 128 428 435 HOH HOH A . 
I 6 HOH 129 429 428 HOH HOH A . 
I 6 HOH 130 430 423 HOH HOH A . 
I 6 HOH 131 431 421 HOH HOH A . 
I 6 HOH 132 432 420 HOH HOH A . 
I 6 HOH 133 433 419 HOH HOH A . 
I 6 HOH 134 434 430 HOH HOH A . 
I 6 HOH 135 435 427 HOH HOH A . 
I 6 HOH 136 436 425 HOH HOH A . 
I 6 HOH 137 437 429 HOH HOH A . 
I 6 HOH 138 438 318 HOH HOH A . 
I 6 HOH 139 439 457 HOH HOH A . 
I 6 HOH 140 440 432 HOH HOH A . 
I 6 HOH 141 441 441 HOH HOH A . 
I 6 HOH 142 442 437 HOH HOH A . 
I 6 HOH 143 443 434 HOH HOH A . 
I 6 HOH 144 444 443 HOH HOH A . 
I 6 HOH 145 445 433 HOH HOH A . 
I 6 HOH 146 446 436 HOH HOH A . 
I 6 HOH 147 447 439 HOH HOH A . 
I 6 HOH 148 448 438 HOH HOH A . 
I 6 HOH 149 449 442 HOH HOH A . 
I 6 HOH 150 450 447 HOH HOH A . 
I 6 HOH 151 451 449 HOH HOH A . 
I 6 HOH 152 452 444 HOH HOH A . 
I 6 HOH 153 453 445 HOH HOH A . 
I 6 HOH 154 454 446 HOH HOH A . 
I 6 HOH 155 455 472 HOH HOH A . 
I 6 HOH 156 456 448 HOH HOH A . 
I 6 HOH 157 457 451 HOH HOH A . 
I 6 HOH 158 458 452 HOH HOH A . 
I 6 HOH 159 459 456 HOH HOH A . 
I 6 HOH 160 460 465 HOH HOH A . 
I 6 HOH 161 461 450 HOH HOH A . 
I 6 HOH 162 462 478 HOH HOH A . 
I 6 HOH 163 463 454 HOH HOH A . 
I 6 HOH 164 464 453 HOH HOH A . 
I 6 HOH 165 465 455 HOH HOH A . 
I 6 HOH 166 466 471 HOH HOH A . 
I 6 HOH 167 467 459 HOH HOH A . 
I 6 HOH 168 468 462 HOH HOH A . 
I 6 HOH 169 469 460 HOH HOH A . 
I 6 HOH 170 470 469 HOH HOH A . 
I 6 HOH 171 471 467 HOH HOH A . 
I 6 HOH 172 472 464 HOH HOH A . 
I 6 HOH 173 473 468 HOH HOH A . 
I 6 HOH 174 474 476 HOH HOH A . 
I 6 HOH 175 475 470 HOH HOH A . 
I 6 HOH 176 476 475 HOH HOH A . 
I 6 HOH 177 477 474 HOH HOH A . 
I 6 HOH 178 478 481 HOH HOH A . 
I 6 HOH 179 479 479 HOH HOH A . 
I 6 HOH 180 480 480 HOH HOH A . 
J 6 HOH 1   301 303 HOH HOH B . 
J 6 HOH 2   302 301 HOH HOH B . 
J 6 HOH 3   303 305 HOH HOH B . 
J 6 HOH 4   304 376 HOH HOH B . 
J 6 HOH 5   305 308 HOH HOH B . 
J 6 HOH 6   306 315 HOH HOH B . 
J 6 HOH 7   307 306 HOH HOH B . 
J 6 HOH 8   308 326 HOH HOH B . 
J 6 HOH 9   309 319 HOH HOH B . 
J 6 HOH 10  310 334 HOH HOH B . 
J 6 HOH 11  311 322 HOH HOH B . 
J 6 HOH 12  312 307 HOH HOH B . 
J 6 HOH 13  313 320 HOH HOH B . 
J 6 HOH 14  314 345 HOH HOH B . 
J 6 HOH 15  315 464 HOH HOH B . 
J 6 HOH 16  316 327 HOH HOH B . 
J 6 HOH 17  317 328 HOH HOH B . 
J 6 HOH 18  318 310 HOH HOH B . 
J 6 HOH 19  319 304 HOH HOH B . 
J 6 HOH 20  320 309 HOH HOH B . 
J 6 HOH 21  321 314 HOH HOH B . 
J 6 HOH 22  322 356 HOH HOH B . 
J 6 HOH 23  323 324 HOH HOH B . 
J 6 HOH 24  324 317 HOH HOH B . 
J 6 HOH 25  325 323 HOH HOH B . 
J 6 HOH 26  326 364 HOH HOH B . 
J 6 HOH 27  327 330 HOH HOH B . 
J 6 HOH 28  328 325 HOH HOH B . 
J 6 HOH 29  329 361 HOH HOH B . 
J 6 HOH 30  330 348 HOH HOH B . 
J 6 HOH 31  331 351 HOH HOH B . 
J 6 HOH 32  332 313 HOH HOH B . 
J 6 HOH 33  333 344 HOH HOH B . 
J 6 HOH 34  334 329 HOH HOH B . 
J 6 HOH 35  335 321 HOH HOH B . 
J 6 HOH 36  336 357 HOH HOH B . 
J 6 HOH 37  337 349 HOH HOH B . 
J 6 HOH 38  338 340 HOH HOH B . 
J 6 HOH 39  339 342 HOH HOH B . 
J 6 HOH 40  340 312 HOH HOH B . 
J 6 HOH 41  341 337 HOH HOH B . 
J 6 HOH 42  342 343 HOH HOH B . 
J 6 HOH 43  343 354 HOH HOH B . 
J 6 HOH 44  344 333 HOH HOH B . 
J 6 HOH 45  345 373 HOH HOH B . 
J 6 HOH 46  346 368 HOH HOH B . 
J 6 HOH 47  347 336 HOH HOH B . 
J 6 HOH 48  348 316 HOH HOH B . 
J 6 HOH 49  349 370 HOH HOH B . 
J 6 HOH 50  350 352 HOH HOH B . 
J 6 HOH 51  351 365 HOH HOH B . 
J 6 HOH 52  352 341 HOH HOH B . 
J 6 HOH 53  353 311 HOH HOH B . 
J 6 HOH 54  354 366 HOH HOH B . 
J 6 HOH 55  355 371 HOH HOH B . 
J 6 HOH 56  356 375 HOH HOH B . 
J 6 HOH 57  357 386 HOH HOH B . 
J 6 HOH 58  358 331 HOH HOH B . 
J 6 HOH 59  359 358 HOH HOH B . 
J 6 HOH 60  360 389 HOH HOH B . 
J 6 HOH 61  361 338 HOH HOH B . 
J 6 HOH 62  362 332 HOH HOH B . 
J 6 HOH 63  363 372 HOH HOH B . 
J 6 HOH 64  364 347 HOH HOH B . 
J 6 HOH 65  365 335 HOH HOH B . 
J 6 HOH 66  366 367 HOH HOH B . 
J 6 HOH 67  367 359 HOH HOH B . 
J 6 HOH 68  368 353 HOH HOH B . 
J 6 HOH 69  369 355 HOH HOH B . 
J 6 HOH 70  370 374 HOH HOH B . 
J 6 HOH 71  371 318 HOH HOH B . 
J 6 HOH 72  372 377 HOH HOH B . 
J 6 HOH 73  373 379 HOH HOH B . 
J 6 HOH 74  374 363 HOH HOH B . 
J 6 HOH 75  375 454 HOH HOH B . 
J 6 HOH 76  376 378 HOH HOH B . 
J 6 HOH 77  377 362 HOH HOH B . 
J 6 HOH 78  378 360 HOH HOH B . 
J 6 HOH 79  379 339 HOH HOH B . 
J 6 HOH 80  380 387 HOH HOH B . 
J 6 HOH 81  381 350 HOH HOH B . 
J 6 HOH 82  382 380 HOH HOH B . 
J 6 HOH 83  383 302 HOH HOH B . 
J 6 HOH 84  384 384 HOH HOH B . 
J 6 HOH 85  385 369 HOH HOH B . 
J 6 HOH 86  386 385 HOH HOH B . 
J 6 HOH 87  387 383 HOH HOH B . 
J 6 HOH 88  388 382 HOH HOH B . 
J 6 HOH 89  389 393 HOH HOH B . 
J 6 HOH 90  390 346 HOH HOH B . 
J 6 HOH 91  391 410 HOH HOH B . 
J 6 HOH 92  392 390 HOH HOH B . 
J 6 HOH 93  393 413 HOH HOH B . 
J 6 HOH 94  394 396 HOH HOH B . 
J 6 HOH 95  395 381 HOH HOH B . 
J 6 HOH 96  396 397 HOH HOH B . 
J 6 HOH 97  397 394 HOH HOH B . 
J 6 HOH 98  398 402 HOH HOH B . 
J 6 HOH 99  399 411 HOH HOH B . 
J 6 HOH 100 400 398 HOH HOH B . 
J 6 HOH 101 401 398 HOH HOH B . 
J 6 HOH 102 402 392 HOH HOH B . 
J 6 HOH 103 403 399 HOH HOH B . 
J 6 HOH 104 404 406 HOH HOH B . 
J 6 HOH 105 405 436 HOH HOH B . 
J 6 HOH 106 406 401 HOH HOH B . 
J 6 HOH 107 407 404 HOH HOH B . 
J 6 HOH 108 408 405 HOH HOH B . 
J 6 HOH 109 409 418 HOH HOH B . 
J 6 HOH 110 410 409 HOH HOH B . 
J 6 HOH 111 411 403 HOH HOH B . 
J 6 HOH 112 412 408 HOH HOH B . 
J 6 HOH 113 413 400 HOH HOH B . 
J 6 HOH 114 414 388 HOH HOH B . 
J 6 HOH 115 415 416 HOH HOH B . 
J 6 HOH 116 416 447 HOH HOH B . 
J 6 HOH 117 417 391 HOH HOH B . 
J 6 HOH 118 418 414 HOH HOH B . 
J 6 HOH 119 419 407 HOH HOH B . 
J 6 HOH 120 420 419 HOH HOH B . 
J 6 HOH 121 421 395 HOH HOH B . 
J 6 HOH 122 422 415 HOH HOH B . 
J 6 HOH 123 423 470 HOH HOH B . 
J 6 HOH 124 424 458 HOH HOH B . 
J 6 HOH 125 425 420 HOH HOH B . 
J 6 HOH 126 426 426 HOH HOH B . 
J 6 HOH 127 427 425 HOH HOH B . 
J 6 HOH 128 428 424 HOH HOH B . 
J 6 HOH 129 429 417 HOH HOH B . 
J 6 HOH 130 430 429 HOH HOH B . 
J 6 HOH 131 431 438 HOH HOH B . 
J 6 HOH 132 432 427 HOH HOH B . 
J 6 HOH 133 433 430 HOH HOH B . 
J 6 HOH 134 434 421 HOH HOH B . 
J 6 HOH 135 435 471 HOH HOH B . 
J 6 HOH 136 436 422 HOH HOH B . 
J 6 HOH 137 437 431 HOH HOH B . 
J 6 HOH 138 438 428 HOH HOH B . 
J 6 HOH 139 439 423 HOH HOH B . 
J 6 HOH 140 440 437 HOH HOH B . 
J 6 HOH 141 441 440 HOH HOH B . 
J 6 HOH 142 442 433 HOH HOH B . 
J 6 HOH 143 443 439 HOH HOH B . 
J 6 HOH 144 444 434 HOH HOH B . 
J 6 HOH 145 445 435 HOH HOH B . 
J 6 HOH 146 446 432 HOH HOH B . 
J 6 HOH 147 447 450 HOH HOH B . 
J 6 HOH 148 448 443 HOH HOH B . 
J 6 HOH 149 449 441 HOH HOH B . 
J 6 HOH 150 450 444 HOH HOH B . 
J 6 HOH 151 451 446 HOH HOH B . 
J 6 HOH 152 452 449 HOH HOH B . 
J 6 HOH 153 453 445 HOH HOH B . 
J 6 HOH 154 454 442 HOH HOH B . 
J 6 HOH 155 455 448 HOH HOH B . 
J 6 HOH 156 456 452 HOH HOH B . 
J 6 HOH 157 457 453 HOH HOH B . 
J 6 HOH 158 458 455 HOH HOH B . 
J 6 HOH 159 459 456 HOH HOH B . 
J 6 HOH 160 460 463 HOH HOH B . 
J 6 HOH 161 461 451 HOH HOH B . 
J 6 HOH 162 462 457 HOH HOH B . 
J 6 HOH 163 463 459 HOH HOH B . 
J 6 HOH 164 464 462 HOH HOH B . 
J 6 HOH 165 465 461 HOH HOH B . 
J 6 HOH 166 466 460 HOH HOH B . 
J 6 HOH 167 467 468 HOH HOH B . 
J 6 HOH 168 468 465 HOH HOH B . 
J 6 HOH 169 469 467 HOH HOH B . 
J 6 HOH 170 470 469 HOH HOH B . 
# 
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    ? ? ? dev_3150 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX    ? ? ? dev_3150 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DENZO     ? ? ? .        3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? .        4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER    ? ? ? .        5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   105.040 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9MT1 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.222 
_cell.length_a_esd                 ? 
_cell.length_b                     34.152 
_cell.length_b_esd                 ? 
_cell.length_c                     105.071 
_cell.length_c_esd                 ? 
_cell.volume                       201766.263 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9MT1 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            'C 2y' 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9MT1 
_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             2.16 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.13 
_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              6.56 
_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    
;protein in 0.5 mM Na-EDTA, 20 mM Tris at pH of 7.5, was mixed with an equal volume of precipitant containing 0.1 M BIS-Tris pH 6.5, 28% w/v Polyethylene Glycol Monomethyl Ether 2000 and allowed to equilibrate by vapor diffusion against the same precipitant
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'ADSC QUANTUM 270' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2015-03-07 
_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   0.9804 
_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                        'CHESS BEAMLINE F1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9804 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   F1 
_diffrn_source.pdbx_synchrotron_site       CHESS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9MT1 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.405 
_reflns.d_resolution_low                               29.196 
_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                                     36225 
_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                     -3.0 
_reflns.percent_possible_obs                           92.24 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.64 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.138 
_reflns.pdbx_Rpim_I_all                                0.059 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.992 
_reflns.pdbx_CC_star                                   0.998 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.124 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
1.405 1.45 ? 1.0  ? ? ? ? 1841 ? ? ? ? ? ? ? ? ? ? ? 1.67 ? ? ? .910  .581  ? 1  1 0.519 0.827 ? 57.44 ? 0.694 ? ? ? ? ? ? ? ? ? 
1.45  1.49 ? 1.6  ? ? ? ? 2852 ? ? ? ? ? ? ? ? ? ? ? 3.13 ? ? ? 0.741 0.376 ? 2  1 0.677 0.899 ? 87.30 ? 0.633 ? ? ? ? ? ? ? ? ? 
1.49  1.55 ? 2.3  ? ? ? ? 3119 ? ? ? ? ? ? ? ? ? ? ? 3.72 ? ? ? .603  .293  ? 3  1 .765  0.931 ? 95.09 ? .523  ? ? ? ? ? ? ? ? ? 
1.55  1.61 ? 3.7  ? ? ? ? 3130 ? ? ? ? ? ? ? ? ? ? ? 4.67 ? ? ? .408  .180  ? 4  1 .891  0.971 ? 96.9  ? .363  ? ? ? ? ? ? ? ? ? 
1.61  1.68 ? 5.0  ? ? ? ? 3152 ? ? ? ? ? ? ? ? ? ? ? 5.09 ? ? ? .315  .134  ? 5  1 0.934 0.983 ? 96.98 ? .284  ? ? ? ? ? ? ? ? ? 
1.68  1.77 ? 6.2  ? ? ? ? 3146 ? ? ? ? ? ? ? ? ? ? ? 5.08 ? ? ? .251  .107  ? 6  1 .955  0.988 ? 96.59 ? .226  ? ? ? ? ? ? ? ? ? 
1.77  1.88 ? 7.4  ? ? ? ? 3138 ? ? ? ? ? ? ? ? ? ? ? 5.06 ? ? ? .204  .087  ? 7  1 .971  0.993 ? 96.38 ? .184  ? ? ? ? ? ? ? ? ? 
1.88  2.03 ? 9.1  ? ? ? ? 3104 ? ? ? ? ? ? ? ? ? ? ? 5.11 ? ? ? .167  .071  ? 8  1 .979  0.995 ? 95.48 ? .151  ? ? ? ? ? ? ? ? ? 
2.03  2.23 ? 11.4 ? ? ? ? 3085 ? ? ? ? ? ? ? ? ? ? ? 5.08 ? ? ? .135  .057  ? 9  1 .984  0.996 ? 94.31 ? .122  ? ? ? ? ? ? ? ? ? 
2.23  2.55 ? 12.4 ? ? ? ? 3098 ? ? ? ? ? ? ? ? ? ? ? 5.08 ? ? ? .123  .052  ? 10 1 .987  0.997 ? 94.28 ? .111  ? ? ? ? ? ? ? ? ? 
2.55  3.22 ? 14.1 ? ? ? ? 3165 ? ? ? ? ? ? ? ? ? ? ? 5.12 ? ? ? .115  .048  ? 11 1 .988  0.997 ? 95.79 ? .104  ? ? ? ? ? ? ? ? ? 
3.22  29.2 ? 16.3 ? ? ? ? 3395 ? ? ? ? ? ? ? ? ? ? ? 5.39 ? ? ? .108  .045  ? 12 1 .989  0.997 ? 99.47 ? .098  ? ? ? ? ? ? ? ? ? 
# 
_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                               18.20 
_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                                 9MT1 
_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                            1.405 
_refine.ls_d_res_low                             29.19 
_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                     36219 
_refine.ls_number_reflns_R_free                  1706 
_refine.ls_number_reflns_R_work                  34513 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.23 
_refine.ls_percent_reflns_R_free                 4.71 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1606 
_refine.ls_R_factor_R_free                       0.1853 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1593 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'CDL v1.2' 
_refine.pdbx_R_Free_selection_details            'random selection' 
_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                 19.8901 
_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                            0.1453 
_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                       1.405 
_refine_hist.d_res_low                        29.19 
_refine_hist.number_atoms_solvent             350 
_refine_hist.number_atoms_total               2087 
_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        1642 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         95 
_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' ? 0.0097  ? 1856 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.1104  ? 2530 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0782  ? 245  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0136  ? 323  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.4018 ? 682  ? 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' 1.405 1.45   . . 55  1785 57.45 . . . . 0.3375 . . . . . . . . . . . 0.3239 
'X-RAY DIFFRACTION' 1.45  1.49   . . 79  2773 87.30 . . . . 0.2692 . . . . . . . . . . . 0.3058 
'X-RAY DIFFRACTION' 1.49  1.55   . . 152 2966 95.06 . . . . 0.2211 . . . . . . . . . . . 0.2769 
'X-RAY DIFFRACTION' 1.55  1.61   . . 139 2991 96.90 . . . . 0.1887 . . . . . . . . . . . 0.2353 
'X-RAY DIFFRACTION' 1.61  1.68   . . 170 2981 96.95 . . . . 0.1680 . . . . . . . . . . . 0.1701 
'X-RAY DIFFRACTION' 1.68  1.77   . . 158 2987 96.56 . . . . 0.1532 . . . . . . . . . . . 0.1980 
'X-RAY DIFFRACTION' 1.77  1.88   . . 137 3001 96.38 . . . . 0.1504 . . . . . . . . . . . 0.2048 
'X-RAY DIFFRACTION' 1.88  2.03   . . 176 2928 95.48 . . . . 0.1532 . . . . . . . . . . . 0.1954 
'X-RAY DIFFRACTION' 2.03  2.23   . . 150 2935 94.31 . . . . 0.1381 . . . . . . . . . . . 0.1625 
'X-RAY DIFFRACTION' 2.23  2.55   . . 138 2960 94.28 . . . . 0.1413 . . . . . . . . . . . 0.1726 
'X-RAY DIFFRACTION' 2.55  3.21   . . 175 2990 95.79 . . . . 0.1472 . . . . . . . . . . . 0.1646 
'X-RAY DIFFRACTION' 3.21  29.190 . . 177 3216 99.41 . . . . 0.1521 . . . . . . . . . . . 0.1757 
# 
loop_
_struct_ncs_oper.id 
_struct_ncs_oper.code 
_struct_ncs_oper.matrix[1][1] 
_struct_ncs_oper.matrix[1][2] 
_struct_ncs_oper.matrix[1][3] 
_struct_ncs_oper.matrix[2][1] 
_struct_ncs_oper.matrix[2][2] 
_struct_ncs_oper.matrix[2][3] 
_struct_ncs_oper.matrix[3][1] 
_struct_ncs_oper.matrix[3][2] 
_struct_ncs_oper.matrix[3][3] 
_struct_ncs_oper.vector[1] 
_struct_ncs_oper.vector[2] 
_struct_ncs_oper.vector[3] 
_struct_ncs_oper.details 
1 given -0.482633807305 0.872490149181 0.0763252751637 0.875097539901 0.476855303523 0.0825428080592 0.0356216746627 
0.106630010247 -0.993660473808 -3.02428054903 -1.4855041997  50.3481056918 ? 
2 given 1.0             0.0            0.0             0.0            1.0            0.0             0.0             0.0 1.0 0.0 
0.0            0.0           ? 
3 given -0.48709477716  0.870737981962 0.0674836634397 0.871220710611 0.479063624682 0.107109835722  0.0609356337902 
0.110965806779 -0.991954352912 -2.73933614849 -2.34992489683 50.6377950108 ? 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 ? 
2 1 ? 
1 2 ? 
2 2 ? 
1 3 ? 
2 3 ? 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.selection_details 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.pdbx_refine_code 
1 1 ? ? ? ? 
;(chain 'A' and ((resid 8 through 10 and (name N or name CA or name C or name O )) or (resid 12 and (name N or name CA or name C or name O )) or (resid 14 through 15 and (name N or name CA or name C or name O )) or (resid 17 through 26 and (name N or name CA or name C or name O )) or (resid 28 through 36 and (name N or name CA or name C or name O ))))
;
1 ? ? ? ? ? ? ? ? ? ? ? 
1 2 ? ? ? ? 
;(chain 'B' and ((resid 8 through 10 and (name N or name CA or name C or name O )) or (resid 12 and (name N or name CA or name C or name O )) or (resid 14 through 15 and (name N or name CA or name C or name O )) or (resid 17 through 26 and (name N or name CA or name C or name O )) or (resid 28 through 36 and (name N or name CA or name C or name O ))))
;
2 ? ? ? ? ? ? ? ? ? ? ? 
2 1 ? ? ? ? 
;(chain 'A' and ((resid 43 through 49 and (name N or name CA or name C or name O )) or (resid 51 through 52 and (name N or name CA or name C or name O ))))
;
1 ? ? ? ? ? ? ? ? ? ? ? 
2 2 ? ? ? ? 
;(chain 'A' and ((resid 43 through 49 and (name N or name CA or name C or name O )) or (resid 51 through 52 and (name N or name CA or name C or name O ))))
;
2 ? ? ? ? ? ? ? ? ? ? ? 
3 1 ? ? ? ? 
;(chain 'A' and ((resid 57 through 59 and (name N or name CA or name C or name O )) or (resid 63 through 68 and (name N or name CA or name C or name O )) or (resid 70 through 78 and (name N or name CA or name C or name O )) or (resid 80 and (name N or name CA or name C or name O )) or (resid 82 through 85 and (name N or name CA or name C or name O )) or (resid 88 and (name N or name CA or name C or name O )) or (resid 90 through 96 and (name N or name CA or name C or name O )) or (resid 98 and (name N or name CA or name C or name O ))))
;
1 ? ? ? ? ? ? ? ? ? ? ? 
3 2 ? ? ? ? 
;(chain 'B' and ((resid 57 through 59 and (name N or name CA or name C or name O )) or (resid 63 through 68 and (name N or name CA or name C or name O )) or (resid 70 through 78 and (name N or name CA or name C or name O )) or (resid 80 and (name N or name CA or name C or name O )) or (resid 82 through 85 and (name N or name CA or name C or name O )) or (resid 88 and (name N or name CA or name C or name O )) or (resid 90 through 96 and (name N or name CA or name C or name O )) or (resid 98 and (name N or name CA or name C or name O ))))
;
2 ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_struct_ncs_ens.id 
_struct_ncs_ens.details 
1 ? 
2 ? 
3 ? 
# 
loop_
_struct_ncs_ens_gen.dom_id_1 
_struct_ncs_ens_gen.dom_id_2 
_struct_ncs_ens_gen.ens_id 
_struct_ncs_ens_gen.oper_id 
1 2 1 1 
1 2 2 2 
1 2 3 3 
# 
_struct.entry_id                     9MT1 
_struct.title                        '1.53 A Crystal Structure of Housefly cytochrome c at pH 6.5' 
_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        9MT1 
_struct_keywords.text            'Electron transport, metalloproteins, Insect, Protostome, cytochrome c' 
_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 2 ? 
D N N 3 ? 
E N N 4 ? 
F N N 2 ? 
G N N 4 ? 
H N N 5 ? 
I N N 6 ? 
J N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A1I8N8V4_MUSDO 
_struct_ref.pdbx_db_accession          A0A1I8N8V4 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GVPAGDVEKGKKIFVQRCAQCHTVEAGGKHKVGPNLHGLFGRKTGQAAGFAYTDANKAKGITWNEDTLFEYLENPKKYIP
GTKMIFAGLKKPNERGDLIAYLKSATK
;
_struct_ref.pdbx_align_begin           2 
# 
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 9MT1 A 1 ? 107 ? A0A1I8N8V4 2 ? 108 ? -3 103 
2 1 9MT1 B 1 ? 107 ? A0A1I8N8V4 2 ? 108 ? -3 103 
# 
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 monomeric 1 
2 author_and_software_defined_assembly PISA monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,D,E,I 
2 1 B,F,G,H,J 
# 
_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 ASP A 6  ? CYS A 18  ? ASP A 2  CYS A 14  1 ? 13 
HELX_P HELX_P2  AA2 THR A 53 ? LYS A 59  ? THR A 49 LYS A 55  1 ? 7  
HELX_P HELX_P3  AA3 ASN A 64 ? ASN A 74  ? ASN A 60 ASN A 70  1 ? 11 
HELX_P HELX_P4  AA4 ASN A 74 ? ILE A 79  ? ASN A 70 ILE A 75  1 ? 6  
HELX_P HELX_P5  AA5 LYS A 91 ? THR A 106 ? LYS A 87 THR A 102 1 ? 16 
HELX_P HELX_P6  AA6 ASP B 6  ? CYS B 18  ? ASP B 2  CYS B 14  1 ? 13 
HELX_P HELX_P7  AA7 THR B 53 ? GLY B 60  ? THR B 49 GLY B 56  1 ? 8  
HELX_P HELX_P8  AA8 ASN B 64 ? ASN B 74  ? ASN B 60 ASN B 70  1 ? 11 
HELX_P HELX_P9  AA9 ASN B 74 ? ILE B 79  ? ASN B 70 ILE B 75  1 ? 6  
HELX_P HELX_P10 AB1 LYS B 91 ? THR B 106 ? LYS B 87 THR B 102 1 ? 16 
# 
_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 18 SG  ? ? ? 1_555 C HEC . CAB ? ? A CYS 14  A HEC 201 1_555 ? ? ? ? ? ? ? 1.809 ? ? 
covale2 covale none ? A CYS 21 SG  ? ? ? 1_555 C HEC . CAC ? ? A CYS 17  A HEC 201 1_555 ? ? ? ? ? ? ? 1.869 ? ? 
covale3 covale none ? B CYS 18 SG  ? ? ? 1_555 F HEC . CAB ? ? B CYS 14  B HEC 201 1_555 ? ? ? ? ? ? ? 1.722 ? ? 
covale4 covale none ? B CYS 21 SG  ? ? ? 1_555 F HEC . CAC ? ? B CYS 17  B HEC 201 1_555 ? ? ? ? ? ? ? 1.841 ? ? 
metalc1 metalc ?    ? A HIS 22 NE2 ? ? ? 1_555 C HEC . FE  ? ? A HIS 18  A HEC 201 1_555 ? ? ? ? ? ? ? 2.011 ? ? 
metalc2 metalc ?    ? A MET 84 SD  ? ? ? 1_555 C HEC . FE  ? ? A MET 80  A HEC 201 1_555 ? ? ? ? ? ? ? 2.290 ? ? 
metalc3 metalc ?    ? B HIS 22 NE2 ? ? ? 1_555 F HEC . FE  ? ? B HIS 18  B HEC 201 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
metalc4 metalc ?    ? B MET 84 SD  ? ? ? 1_555 F HEC . FE  ? ? B MET 80  B HEC 201 1_555 ? ? ? ? ? ? ? 2.296 ? ? 
metalc5 metalc ?    ? H NA  .  NA  ? ? ? 1_555 J HOH . O   ? ? B NA  203 B HOH 428 1_555 ? ? ? ? ? ? ? 3.065 ? ? 
metalc6 metalc ?    ? H NA  .  NA  ? ? ? 1_555 J HOH . O   ? ? B NA  203 B HOH 428 2_556 ? ? ? ? ? ? ? 3.065 ? ? 
# 
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 22 ? A HIS 18  ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NA ? C HEC .  ? A HEC 201 ? 1_555 90.0  ? 
2  NE2 ? A HIS 22 ? A HIS 18  ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NB ? C HEC .  ? A HEC 201 ? 1_555 89.3  ? 
3  NA  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NB ? C HEC .  ? A HEC 201 ? 1_555 90.8  ? 
4  NE2 ? A HIS 22 ? A HIS 18  ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NC ? C HEC .  ? A HEC 201 ? 1_555 91.1  ? 
5  NA  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NC ? C HEC .  ? A HEC 201 ? 1_555 178.9 ? 
6  NB  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 NC ? C HEC .  ? A HEC 201 ? 1_555 89.2  ? 
7  NE2 ? A HIS 22 ? A HIS 18  ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 ND ? C HEC .  ? A HEC 201 ? 1_555 92.2  ? 
8  NA  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 ND ? C HEC .  ? A HEC 201 ? 1_555 89.4  ? 
9  NB  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 ND ? C HEC .  ? A HEC 201 ? 1_555 178.5 ? 
10 NC  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 ND ? C HEC .  ? A HEC 201 ? 1_555 90.6  ? 
11 NE2 ? A HIS 22 ? A HIS 18  ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 SD ? A MET 84 ? A MET 80  ? 1_555 175.8 ? 
12 NA  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 SD ? A MET 84 ? A MET 80  ? 1_555 85.8  ? 
13 NB  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 SD ? A MET 84 ? A MET 80  ? 1_555 91.1  ? 
14 NC  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 SD ? A MET 84 ? A MET 80  ? 1_555 93.1  ? 
15 ND  ? C HEC .  ? A HEC 201 ? 1_555 FE ? C HEC . ? A HEC 201 ? 1_555 SD ? A MET 84 ? A MET 80  ? 1_555 87.4  ? 
16 NE2 ? B HIS 22 ? B HIS 18  ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NA ? F HEC .  ? B HEC 201 ? 1_555 93.1  ? 
17 NE2 ? B HIS 22 ? B HIS 18  ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NB ? F HEC .  ? B HEC 201 ? 1_555 86.9  ? 
18 NA  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NB ? F HEC .  ? B HEC 201 ? 1_555 91.6  ? 
19 NE2 ? B HIS 22 ? B HIS 18  ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NC ? F HEC .  ? B HEC 201 ? 1_555 87.7  ? 
20 NA  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NC ? F HEC .  ? B HEC 201 ? 1_555 179.0 ? 
21 NB  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 NC ? F HEC .  ? B HEC 201 ? 1_555 87.9  ? 
22 NE2 ? B HIS 22 ? B HIS 18  ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 ND ? F HEC .  ? B HEC 201 ? 1_555 89.7  ? 
23 NA  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 ND ? F HEC .  ? B HEC 201 ? 1_555 88.1  ? 
24 NB  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 ND ? F HEC .  ? B HEC 201 ? 1_555 176.5 ? 
25 NC  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 ND ? F HEC .  ? B HEC 201 ? 1_555 92.5  ? 
26 NE2 ? B HIS 22 ? B HIS 18  ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 SD ? B MET 84 ? B MET 80  ? 1_555 175.9 ? 
27 NA  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 SD ? B MET 84 ? B MET 80  ? 1_555 82.8  ? 
28 NB  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 SD ? B MET 84 ? B MET 80  ? 1_555 93.7  ? 
29 NC  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 SD ? B MET 84 ? B MET 80  ? 1_555 96.4  ? 
30 ND  ? F HEC .  ? B HEC 201 ? 1_555 FE ? F HEC . ? B HEC 201 ? 1_555 SD ? B MET 84 ? B MET 80  ? 1_555 89.6  ? 
31 O   ? J HOH .  ? B HOH 428 ? 1_555 NA ? H NA  . ? B NA  203 ? 1_555 O  ? J HOH .  ? B HOH 428 ? 2_556 91.3  ? 
# 
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 C . ? CYS A 18 ? HEC A 201 ? 1_555 CYS A 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
2 HEC C . ? CYS A 21 ? HEC A 201 ? 1_555 CYS A 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
3 HEC F . ? CYS B 18 ? HEC B 201 ? 1_555 CYS B 14 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
4 HEC F . ? CYS B 21 ? HEC B 201 ? 1_555 CYS B 17 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
# 
_pdbx_entry_details.entry_id                   9MT1 
_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     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    353 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    428 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.11 
# 
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 LYS A 27 ? ? -115.15 -138.68 
2 1 ASN A 70 ? ? -166.17 89.71   
3 1 PHE A 82 ? ? -166.88 117.70  
4 1 PHE A 82 ? ? -163.34 117.70  
5 1 LYS B 27 ? ? -122.92 -134.71 
6 1 ASN B 60 ? ? -162.06 -167.90 
7 1 ASN B 70 ? ? -168.72 85.96   
8 1 PHE B 82 ? ? -162.92 117.49  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 B NA  203 ? H NA  . 
2 1 A HOH 365 ? I HOH . 
3 1 B HOH 455 ? J HOH . 
4 1 B HOH 463 ? J HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 -x,y,-z         
3 x+1/2,y+1/2,z   
4 -x+1/2,y+1/2,-z 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined -4.79425032228 -22.3594674271 15.6084009013 0.118101358467  ? 0.0133892807034    ? 
0.00654297609533  ? 0.0688759955436 ? 0.00840739938721  ? 0.125581591105  ? 0.252081809906  ? 0.0339635198763  ? 0.0248559237177  
? 0.104652063509  ? 0.0464480739223   ? 0.107846957626  ? -0.0440670751363 ? -0.057906993758  ? -0.189819448445   ? 
0.0882522964367   ? -0.0518128082014  ? -0.0218961446565  ? 0.155562316074    ? -0.00266256236901 ? -0.000789969061096 ? 
2  'X-RAY DIFFRACTION' ? refined -16.2723793307 -11.2098141735 14.0835500956 0.0696373320843 ? -0.000294772415388 ? 
0.00362695596316  ? 0.0544790772073 ? -0.0117309267868  ? 0.116588417608  ? 0.858514486124  ? 0.173373859609   ? 0.09347545893    
? 0.95670373234   ? -0.0615219899526  ? 0.0173521204632 ? -0.0585964536824 ? -0.128354381235  ? 0.0568965415802   ? 0.127308373204 
? -0.00821954828543 ? 0.194405914399    ? 0.000911657502166 ? -0.0802461314806  ? 0.00998695684963   ? 
3  'X-RAY DIFFRACTION' ? refined -13.1199719854 -6.93306653025 4.58556500776 0.0967457695094 ? -0.00277970001297  ? 
-0.0194280124963  ? 0.0966474015639 ? -0.00427765210876 ? 0.140468569166  ? 0.0195803498876 ? -0.0628652960409 ? -0.08735658251   
? 0.200860229365  ? 0.279067473611    ? 0.387750125027  ? 0.00218825427116 ? 0.084187834187   ? 0.0290299565613   ? -0.17229540623 
? -0.0691507279875  ? 0.161656153356    ? -0.108872979418   ? -0.165423385072   ? -0.00948485656781  ? 
4  'X-RAY DIFFRACTION' ? refined -3.057192022   -8.81252595087 4.99685370462 0.0901505745414 ? 0.00276999356702   ? 
-0.00361942868008 ? 0.0577870809407 ? -0.00325571361999 ? 0.105222264166  ? 0.0930203940858 ? 0.0225162507868  ? 0.0503117982474  
? 0.0612499827644 ? 0.0607912663156   ? 0.156216861869  ? 0.0103728398874  ? 0.0686865145122  ? 0.0128353852958   ? 
-0.0898722549429  ? 0.0232543628241   ? -0.0187844759682  ? -0.0488695960013  ? 0.0141768890929   ? 0.0121044090833    ? 
5  'X-RAY DIFFRACTION' ? refined 2.12310960088  -4.82272147996 10.7727957401 0.0906842457166 ? -0.0188356512476   ? 
-0.00115178963056 ? 0.0846066091963 ? -0.00573921922314 ? 0.104228909892  ? 0.0271292845284 ? -0.0164428219549 ? -0.0269106932408 
? 0.0195328365478 ? -0.00257587867439 ? 0.064102443523  ? 0.0384488625539  ? -0.0064494811596 ? -0.0223514868664  ? 
0.0685868085098   ? -0.010014369958   ? -0.154402479296   ? -0.061273117095   ? -0.0250569383073  ? 0.000468553027811  ? 
6  'X-RAY DIFFRACTION' ? refined -1.69123600201 -6.26519560295 15.4952460724 0.0948975343337 ? 0.0101094561414    ? 
-0.00415835990283 ? 0.0728939757968 ? -0.0179154778714  ? 0.112775946095  ? 0.244078742988  ? 0.00355439527673 ? 0.0663282062778  
? 0.165037579765  ? 0.107256787058    ? 0.0864517589683 ? 0.00416780121526 ? -0.157427133844  ? 0.0148965688926   ? 0.127004407522 
? 0.0486976110301   ? 0.00555029320152  ? 0.149456465998    ? 0.0598604834607   ? 0.0284865889035    ? 
7  'X-RAY DIFFRACTION' ? refined -5.4946408324  -21.0656180049 10.8725698621 0.0723392530179 ? 0.00706739004395   ? 
-0.00913038143402 ? 0.0413957333283 ? -0.00567025290552 ? 0.0983777089597 ? 0.967670781737  ? 0.212241796328   ? -0.0363263404301 
? 0.0500546314519 ? -0.0243628547892  ? 0.0822834612801 ? -0.0533863703055 ? 0.0941688657165  ? 0.0223815868451   ? 
-0.00497045996686 ? 0.0352606778248   ? 0.0188452337275   ? 0.0610933056799   ? -0.0130906519406  ? -0.00734585243426  ? 
8  'X-RAY DIFFRACTION' ? refined -18.2181274514 -15.7609854773 31.7553154845 0.172895648294  ? 0.0215836139474    ? 
0.0309399851931   ? 0.260667679214  ? -0.0253413560816  ? 0.134941429467  ? 0.609673849563  ? -0.278787859762  ? -0.0747831162952 
? 0.179609350998  ? -0.0327557526708  ? 0.266143728571  ? -0.0139267209271 ? -0.0524112658819 ? 0.213016451779    ? 0.175923183349 
? -0.0473630489129  ? 0.124277894426    ? 0.061725529517    ? -0.364564848481   ? -0.0677009723857   ? 
9  'X-RAY DIFFRACTION' ? refined -3.41446046956 -20.1088430694 34.2254342722 0.146316103654  ? 0.0735747635233    ? 
0.0104648862506   ? 0.172515355981  ? 0.0135424939765   ? 0.114776590068  ? 0.170096533038  ? 0.119644933976   ? 0.197488211149   
? 0.0843466945966 ? 0.139186660553    ? 0.229443442687  ? -0.0767629331898 ? 0.0608224120274  ? -0.109955839342   ? 
0.0179885352591   ? 0.0400455755425   ? -0.0106986178792  ? 0.0744900808856   ? 0.1558643382      ? -0.00931163427037  ? 
10 'X-RAY DIFFRACTION' ? refined -1.93300090649 -16.2713335947 44.6941665706 0.217620560582  ? 0.074049893786     ? 
-0.0141664649078  ? 0.244044327311  ? 0.0159975527329   ? 0.139688591488  ? 0.0176338233196 ? 0.0328040911348  ? 0.0128226879714  
? 0.0613030845723 ? 0.0253214281801   ? 0.0132523079368 ? -0.0388868679023 ? -0.230641021478  ? -0.126844124442   ? 0.29012778568 
? 0.0346761951582   ? -0.126336513143   ? 0.144136795435    ? 0.11446070837     ? -0.0004837713643   ? 
11 'X-RAY DIFFRACTION' ? refined -2.84041859177 -9.44062763795 46.7004366917 0.131873085051  ? 0.00311850404428   ? 
-0.00920790851325 ? 0.196718496618  ? 0.000642137296226 ? 0.0466468032872 ? 0.0670487550666 ? 0.0549166967823  ? 0.0124773783141  
? 0.111473373692  ? -0.0346658823735  ? 0.0379185059799 ? 0.0337857450967  ? -0.0252099449549 ? -0.00907841835452 ? 
0.0874794748273   ? 0.0128600956446   ? -0.00870001801895 ? -0.0171449718101  ? 0.00915768362986  ? 0.255267380691     ? 
12 'X-RAY DIFFRACTION' ? refined -8.7909696173  -5.14613752765 38.3079019721 0.194075558737  ? 0.0536629689121    ? 
0.0330837448934   ? 0.173835327829  ? 0.0163741110621   ? 0.132591046555  ? 0.0920609210695 ? 0.0111548865963  ? 0.0255582409693  
? 0.0506286255974 ? 0.0594887494166   ? 0.0772678390615 ? 0.148182315111   ? 0.0829824486752  ? 0.0996191574848   ? 
0.0393662726742   ? -0.00778899439654 ? 0.0759272182771   ? -0.132629181775   ? -0.0739705068196  ? 0.00803947896906   ? 
13 'X-RAY DIFFRACTION' ? refined -17.2097431652 -15.7215816994 37.2724425759 0.221933229831  ? 0.0640339198674    ? 
0.0318108028105   ? 0.256052450894  ? 0.0227002843284   ? 0.161618140104  ? 0.0294222994242 ? 0.0161895903785  ? -0.015613601066  
? 0.0213074655074 ? 0.00149421000957  ? 0.0163877834389 ? -0.070073532483  ? -0.0337950627428 ? 0.0637218233342   ? 0.129042537966 
? 0.110311235744    ? 0.13942792031     ? -0.02460903824    ? -0.266925758236   ? -6.02276120335e-05 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   -3  through   13 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   14  through   33 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   34  through   49 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   50  through   69 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   70  through   74 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   75  through   87 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid   88  through  103 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   -3  through   13 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   14  through   33 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   34  through   49 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   50  through   60 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   61  through   87 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid   88  through  103 )
;
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 479 ? 6.32 . 
2 1 O ? A HOH 480 ? 6.42 . 
3 1 O ? B HOH 468 ? 6.13 . 
4 1 O ? B HOH 469 ? 6.48 . 
5 1 O ? B HOH 470 ? 6.54 . 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
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  
EOH C1   C  N N 88  
EOH C2   C  N N 89  
EOH O    O  N N 90  
EOH H11  H  N N 91  
EOH H12  H  N N 92  
EOH H21  H  N N 93  
EOH H22  H  N N 94  
EOH H23  H  N N 95  
EOH HO   H  N N 96  
GLN N    N  N N 97  
GLN CA   C  N S 98  
GLN C    C  N N 99  
GLN O    O  N N 100 
GLN CB   C  N N 101 
GLN CG   C  N N 102 
GLN CD   C  N N 103 
GLN OE1  O  N N 104 
GLN NE2  N  N N 105 
GLN OXT  O  N N 106 
GLN H    H  N N 107 
GLN H2   H  N N 108 
GLN HA   H  N N 109 
GLN HB2  H  N N 110 
GLN HB3  H  N N 111 
GLN HG2  H  N N 112 
GLN HG3  H  N N 113 
GLN HE21 H  N N 114 
GLN HE22 H  N N 115 
GLN HXT  H  N N 116 
GLU N    N  N N 117 
GLU CA   C  N S 118 
GLU C    C  N N 119 
GLU O    O  N N 120 
GLU CB   C  N N 121 
GLU CG   C  N N 122 
GLU CD   C  N N 123 
GLU OE1  O  N N 124 
GLU OE2  O  N N 125 
GLU OXT  O  N N 126 
GLU H    H  N N 127 
GLU H2   H  N N 128 
GLU HA   H  N N 129 
GLU HB2  H  N N 130 
GLU HB3  H  N N 131 
GLU HG2  H  N N 132 
GLU HG3  H  N N 133 
GLU HE2  H  N N 134 
GLU HXT  H  N N 135 
GLY N    N  N N 136 
GLY CA   C  N N 137 
GLY C    C  N N 138 
GLY O    O  N N 139 
GLY OXT  O  N N 140 
GLY H    H  N N 141 
GLY H2   H  N N 142 
GLY HA2  H  N N 143 
GLY HA3  H  N N 144 
GLY HXT  H  N N 145 
HEC FE   FE N N 146 
HEC CHA  C  N N 147 
HEC CHB  C  N N 148 
HEC CHC  C  N N 149 
HEC CHD  C  N N 150 
HEC NA   N  Y N 151 
HEC C1A  C  Y N 152 
HEC C2A  C  Y N 153 
HEC C3A  C  Y N 154 
HEC C4A  C  Y N 155 
HEC CMA  C  N N 156 
HEC CAA  C  N N 157 
HEC CBA  C  N N 158 
HEC CGA  C  N N 159 
HEC O1A  O  N N 160 
HEC O2A  O  N N 161 
HEC NB   N  Y N 162 
HEC C1B  C  Y N 163 
HEC C2B  C  Y N 164 
HEC C3B  C  Y N 165 
HEC C4B  C  Y N 166 
HEC CMB  C  N N 167 
HEC CAB  C  N N 168 
HEC CBB  C  N N 169 
HEC NC   N  Y N 170 
HEC C1C  C  Y N 171 
HEC C2C  C  Y N 172 
HEC C3C  C  Y N 173 
HEC C4C  C  Y N 174 
HEC CMC  C  N N 175 
HEC CAC  C  N N 176 
HEC CBC  C  N N 177 
HEC ND   N  Y N 178 
HEC C1D  C  Y N 179 
HEC C2D  C  Y N 180 
HEC C3D  C  Y N 181 
HEC C4D  C  Y N 182 
HEC CMD  C  N N 183 
HEC CAD  C  N N 184 
HEC CBD  C  N N 185 
HEC CGD  C  N N 186 
HEC O1D  O  N N 187 
HEC O2D  O  N N 188 
HEC HHA  H  N N 189 
HEC HHB  H  N N 190 
HEC HHC  H  N N 191 
HEC HHD  H  N N 192 
HEC HMA1 H  N N 193 
HEC HMA2 H  N N 194 
HEC HMA3 H  N N 195 
HEC HAA1 H  N N 196 
HEC HAA2 H  N N 197 
HEC HBA1 H  N N 198 
HEC HBA2 H  N N 199 
HEC H2A  H  N N 200 
HEC HMB1 H  N N 201 
HEC HMB2 H  N N 202 
HEC HMB3 H  N N 203 
HEC HAB  H  N N 204 
HEC HBB1 H  N N 205 
HEC HBB2 H  N N 206 
HEC HBB3 H  N N 207 
HEC HMC1 H  N N 208 
HEC HMC2 H  N N 209 
HEC HMC3 H  N N 210 
HEC HAC  H  N N 211 
HEC HBC1 H  N N 212 
HEC HBC2 H  N N 213 
HEC HBC3 H  N N 214 
HEC HMD1 H  N N 215 
HEC HMD2 H  N N 216 
HEC HMD3 H  N N 217 
HEC HAD1 H  N N 218 
HEC HAD2 H  N N 219 
HEC HBD1 H  N N 220 
HEC HBD2 H  N N 221 
HEC H2D  H  N N 222 
HIS N    N  N N 223 
HIS CA   C  N S 224 
HIS C    C  N N 225 
HIS O    O  N N 226 
HIS CB   C  N N 227 
HIS CG   C  Y N 228 
HIS ND1  N  Y N 229 
HIS CD2  C  Y N 230 
HIS CE1  C  Y N 231 
HIS NE2  N  Y N 232 
HIS OXT  O  N N 233 
HIS H    H  N N 234 
HIS H2   H  N N 235 
HIS HA   H  N N 236 
HIS HB2  H  N N 237 
HIS HB3  H  N N 238 
HIS HD1  H  N N 239 
HIS HD2  H  N N 240 
HIS HE1  H  N N 241 
HIS HE2  H  N N 242 
HIS HXT  H  N N 243 
HOH O    O  N N 244 
HOH H1   H  N N 245 
HOH H2   H  N N 246 
ILE N    N  N N 247 
ILE CA   C  N S 248 
ILE C    C  N N 249 
ILE O    O  N N 250 
ILE CB   C  N S 251 
ILE CG1  C  N N 252 
ILE CG2  C  N N 253 
ILE CD1  C  N N 254 
ILE OXT  O  N N 255 
ILE H    H  N N 256 
ILE H2   H  N N 257 
ILE HA   H  N N 258 
ILE HB   H  N N 259 
ILE HG12 H  N N 260 
ILE HG13 H  N N 261 
ILE HG21 H  N N 262 
ILE HG22 H  N N 263 
ILE HG23 H  N N 264 
ILE HD11 H  N N 265 
ILE HD12 H  N N 266 
ILE HD13 H  N N 267 
ILE HXT  H  N N 268 
LEU N    N  N N 269 
LEU CA   C  N S 270 
LEU C    C  N N 271 
LEU O    O  N N 272 
LEU CB   C  N N 273 
LEU CG   C  N N 274 
LEU CD1  C  N N 275 
LEU CD2  C  N N 276 
LEU OXT  O  N N 277 
LEU H    H  N N 278 
LEU H2   H  N N 279 
LEU HA   H  N N 280 
LEU HB2  H  N N 281 
LEU HB3  H  N N 282 
LEU HG   H  N N 283 
LEU HD11 H  N N 284 
LEU HD12 H  N N 285 
LEU HD13 H  N N 286 
LEU HD21 H  N N 287 
LEU HD22 H  N N 288 
LEU HD23 H  N N 289 
LEU HXT  H  N N 290 
LYS N    N  N N 291 
LYS CA   C  N S 292 
LYS C    C  N N 293 
LYS O    O  N N 294 
LYS CB   C  N N 295 
LYS CG   C  N N 296 
LYS CD   C  N N 297 
LYS CE   C  N N 298 
LYS NZ   N  N N 299 
LYS OXT  O  N N 300 
LYS H    H  N N 301 
LYS H2   H  N N 302 
LYS HA   H  N N 303 
LYS HB2  H  N N 304 
LYS HB3  H  N N 305 
LYS HG2  H  N N 306 
LYS HG3  H  N N 307 
LYS HD2  H  N N 308 
LYS HD3  H  N N 309 
LYS HE2  H  N N 310 
LYS HE3  H  N N 311 
LYS HZ1  H  N N 312 
LYS HZ2  H  N N 313 
LYS HZ3  H  N N 314 
LYS HXT  H  N N 315 
MET N    N  N N 316 
MET CA   C  N S 317 
MET C    C  N N 318 
MET O    O  N N 319 
MET CB   C  N N 320 
MET CG   C  N N 321 
MET SD   S  N N 322 
MET CE   C  N N 323 
MET OXT  O  N N 324 
MET H    H  N N 325 
MET H2   H  N N 326 
MET HA   H  N N 327 
MET HB2  H  N N 328 
MET HB3  H  N N 329 
MET HG2  H  N N 330 
MET HG3  H  N N 331 
MET HE1  H  N N 332 
MET HE2  H  N N 333 
MET HE3  H  N N 334 
MET HXT  H  N N 335 
MOH C    C  N N 336 
MOH O    O  N N 337 
MOH H1   H  N N 338 
MOH H2   H  N N 339 
MOH H3   H  N N 340 
MOH HO   H  N N 341 
NA  NA   NA N N 342 
PHE N    N  N N 343 
PHE CA   C  N S 344 
PHE C    C  N N 345 
PHE O    O  N N 346 
PHE CB   C  N N 347 
PHE CG   C  Y N 348 
PHE CD1  C  Y N 349 
PHE CD2  C  Y N 350 
PHE CE1  C  Y N 351 
PHE CE2  C  Y N 352 
PHE CZ   C  Y N 353 
PHE OXT  O  N N 354 
PHE H    H  N N 355 
PHE H2   H  N N 356 
PHE HA   H  N N 357 
PHE HB2  H  N N 358 
PHE HB3  H  N N 359 
PHE HD1  H  N N 360 
PHE HD2  H  N N 361 
PHE HE1  H  N N 362 
PHE HE2  H  N N 363 
PHE HZ   H  N N 364 
PHE HXT  H  N N 365 
PRO N    N  N N 366 
PRO CA   C  N S 367 
PRO C    C  N N 368 
PRO O    O  N N 369 
PRO CB   C  N N 370 
PRO CG   C  N N 371 
PRO CD   C  N N 372 
PRO OXT  O  N N 373 
PRO H    H  N N 374 
PRO HA   H  N N 375 
PRO HB2  H  N N 376 
PRO HB3  H  N N 377 
PRO HG2  H  N N 378 
PRO HG3  H  N N 379 
PRO HD2  H  N N 380 
PRO HD3  H  N N 381 
PRO HXT  H  N N 382 
SER N    N  N N 383 
SER CA   C  N S 384 
SER C    C  N N 385 
SER O    O  N N 386 
SER CB   C  N N 387 
SER OG   O  N N 388 
SER OXT  O  N N 389 
SER H    H  N N 390 
SER H2   H  N N 391 
SER HA   H  N N 392 
SER HB2  H  N N 393 
SER HB3  H  N N 394 
SER HG   H  N N 395 
SER HXT  H  N N 396 
THR N    N  N N 397 
THR CA   C  N S 398 
THR C    C  N N 399 
THR O    O  N N 400 
THR CB   C  N R 401 
THR OG1  O  N N 402 
THR CG2  C  N N 403 
THR OXT  O  N N 404 
THR H    H  N N 405 
THR H2   H  N N 406 
THR HA   H  N N 407 
THR HB   H  N N 408 
THR HG1  H  N N 409 
THR HG21 H  N N 410 
THR HG22 H  N N 411 
THR HG23 H  N N 412 
THR HXT  H  N N 413 
TRP N    N  N N 414 
TRP CA   C  N S 415 
TRP C    C  N N 416 
TRP O    O  N N 417 
TRP CB   C  N N 418 
TRP CG   C  Y N 419 
TRP CD1  C  Y N 420 
TRP CD2  C  Y N 421 
TRP NE1  N  Y N 422 
TRP CE2  C  Y N 423 
TRP CE3  C  Y N 424 
TRP CZ2  C  Y N 425 
TRP CZ3  C  Y N 426 
TRP CH2  C  Y N 427 
TRP OXT  O  N N 428 
TRP H    H  N N 429 
TRP H2   H  N N 430 
TRP HA   H  N N 431 
TRP HB2  H  N N 432 
TRP HB3  H  N N 433 
TRP HD1  H  N N 434 
TRP HE1  H  N N 435 
TRP HE3  H  N N 436 
TRP HZ2  H  N N 437 
TRP HZ3  H  N N 438 
TRP HH2  H  N N 439 
TRP HXT  H  N N 440 
TYR N    N  N N 441 
TYR CA   C  N S 442 
TYR C    C  N N 443 
TYR O    O  N N 444 
TYR CB   C  N N 445 
TYR CG   C  Y N 446 
TYR CD1  C  Y N 447 
TYR CD2  C  Y N 448 
TYR CE1  C  Y N 449 
TYR CE2  C  Y N 450 
TYR CZ   C  Y N 451 
TYR OH   O  N N 452 
TYR OXT  O  N N 453 
TYR H    H  N N 454 
TYR H2   H  N N 455 
TYR HA   H  N N 456 
TYR HB2  H  N N 457 
TYR HB3  H  N N 458 
TYR HD1  H  N N 459 
TYR HD2  H  N N 460 
TYR HE1  H  N N 461 
TYR HE2  H  N N 462 
TYR HH   H  N N 463 
TYR HXT  H  N N 464 
VAL N    N  N N 465 
VAL CA   C  N S 466 
VAL C    C  N N 467 
VAL O    O  N N 468 
VAL CB   C  N N 469 
VAL CG1  C  N N 470 
VAL CG2  C  N N 471 
VAL OXT  O  N N 472 
VAL H    H  N N 473 
VAL H2   H  N N 474 
VAL HA   H  N N 475 
VAL HB   H  N N 476 
VAL HG11 H  N N 477 
VAL HG12 H  N N 478 
VAL HG13 H  N N 479 
VAL HG21 H  N N 480 
VAL HG22 H  N N 481 
VAL HG23 H  N N 482 
VAL HXT  H  N N 483 
# 
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  
EOH C1  C2   sing N N 83  
EOH C1  O    sing N N 84  
EOH C1  H11  sing N N 85  
EOH C1  H12  sing N N 86  
EOH C2  H21  sing N N 87  
EOH C2  H22  sing N N 88  
EOH C2  H23  sing N N 89  
EOH O   HO   sing N N 90  
GLN N   CA   sing N N 91  
GLN N   H    sing N N 92  
GLN N   H2   sing N N 93  
GLN CA  C    sing N N 94  
GLN CA  CB   sing N N 95  
GLN CA  HA   sing N N 96  
GLN C   O    doub N N 97  
GLN C   OXT  sing N N 98  
GLN CB  CG   sing N N 99  
GLN CB  HB2  sing N N 100 
GLN CB  HB3  sing N N 101 
GLN CG  CD   sing N N 102 
GLN CG  HG2  sing N N 103 
GLN CG  HG3  sing N N 104 
GLN CD  OE1  doub N N 105 
GLN CD  NE2  sing N N 106 
GLN NE2 HE21 sing N N 107 
GLN NE2 HE22 sing N N 108 
GLN OXT HXT  sing N N 109 
GLU N   CA   sing N N 110 
GLU N   H    sing N N 111 
GLU N   H2   sing N N 112 
GLU CA  C    sing N N 113 
GLU CA  CB   sing N N 114 
GLU CA  HA   sing N N 115 
GLU C   O    doub N N 116 
GLU C   OXT  sing N N 117 
GLU CB  CG   sing N N 118 
GLU CB  HB2  sing N N 119 
GLU CB  HB3  sing N N 120 
GLU CG  CD   sing N N 121 
GLU CG  HG2  sing N N 122 
GLU CG  HG3  sing N N 123 
GLU CD  OE1  doub N N 124 
GLU CD  OE2  sing N N 125 
GLU OE2 HE2  sing N N 126 
GLU OXT HXT  sing N N 127 
GLY N   CA   sing N N 128 
GLY N   H    sing N N 129 
GLY N   H2   sing N N 130 
GLY CA  C    sing N N 131 
GLY CA  HA2  sing N N 132 
GLY CA  HA3  sing N N 133 
GLY C   O    doub N N 134 
GLY C   OXT  sing N N 135 
GLY OXT HXT  sing N N 136 
HEC FE  NA   sing N N 137 
HEC FE  NB   sing N N 138 
HEC FE  NC   sing N N 139 
HEC FE  ND   sing N N 140 
HEC CHA C1A  doub N N 141 
HEC CHA C4D  sing N N 142 
HEC CHA HHA  sing N N 143 
HEC CHB C4A  doub N N 144 
HEC CHB C1B  sing N N 145 
HEC CHB HHB  sing N N 146 
HEC CHC C4B  doub N N 147 
HEC CHC C1C  sing N N 148 
HEC CHC HHC  sing N N 149 
HEC CHD C4C  doub N N 150 
HEC CHD C1D  sing N N 151 
HEC CHD HHD  sing N N 152 
HEC NA  C1A  sing Y N 153 
HEC NA  C4A  sing Y N 154 
HEC C1A C2A  sing Y N 155 
HEC C2A C3A  doub Y N 156 
HEC C2A CAA  sing N N 157 
HEC C3A C4A  sing Y N 158 
HEC C3A CMA  sing N N 159 
HEC CMA HMA1 sing N N 160 
HEC CMA HMA2 sing N N 161 
HEC CMA HMA3 sing N N 162 
HEC CAA CBA  sing N N 163 
HEC CAA HAA1 sing N N 164 
HEC CAA HAA2 sing N N 165 
HEC CBA CGA  sing N N 166 
HEC CBA HBA1 sing N N 167 
HEC CBA HBA2 sing N N 168 
HEC CGA O1A  doub N N 169 
HEC CGA O2A  sing N N 170 
HEC O2A H2A  sing N N 171 
HEC NB  C1B  sing Y N 172 
HEC NB  C4B  sing Y N 173 
HEC C1B C2B  doub Y N 174 
HEC C2B C3B  sing Y N 175 
HEC C2B CMB  sing N N 176 
HEC C3B C4B  sing Y N 177 
HEC C3B CAB  doub N E 178 
HEC CMB HMB1 sing N N 179 
HEC CMB HMB2 sing N N 180 
HEC CMB HMB3 sing N N 181 
HEC CAB CBB  sing N N 182 
HEC CAB HAB  sing N N 183 
HEC CBB HBB1 sing N N 184 
HEC CBB HBB2 sing N N 185 
HEC CBB HBB3 sing N N 186 
HEC NC  C1C  sing Y N 187 
HEC NC  C4C  sing Y N 188 
HEC C1C C2C  doub Y N 189 
HEC C2C C3C  sing Y N 190 
HEC C2C CMC  sing N N 191 
HEC C3C C4C  sing Y N 192 
HEC C3C CAC  doub N E 193 
HEC CMC HMC1 sing N N 194 
HEC CMC HMC2 sing N N 195 
HEC CMC HMC3 sing N N 196 
HEC CAC CBC  sing N N 197 
HEC CAC HAC  sing N N 198 
HEC CBC HBC1 sing N N 199 
HEC CBC HBC2 sing N N 200 
HEC CBC HBC3 sing N N 201 
HEC ND  C1D  sing Y N 202 
HEC ND  C4D  sing Y N 203 
HEC C1D C2D  doub Y N 204 
HEC C2D C3D  sing Y N 205 
HEC C2D CMD  sing N N 206 
HEC C3D C4D  doub Y N 207 
HEC C3D CAD  sing N N 208 
HEC CMD HMD1 sing N N 209 
HEC CMD HMD2 sing N N 210 
HEC CMD HMD3 sing N N 211 
HEC CAD CBD  sing N N 212 
HEC CAD HAD1 sing N N 213 
HEC CAD HAD2 sing N N 214 
HEC CBD CGD  sing N N 215 
HEC CBD HBD1 sing N N 216 
HEC CBD HBD2 sing N N 217 
HEC CGD O1D  doub N N 218 
HEC CGD O2D  sing N N 219 
HEC O2D H2D  sing N N 220 
HIS N   CA   sing N N 221 
HIS N   H    sing N N 222 
HIS N   H2   sing N N 223 
HIS CA  C    sing N N 224 
HIS CA  CB   sing N N 225 
HIS CA  HA   sing N N 226 
HIS C   O    doub N N 227 
HIS C   OXT  sing N N 228 
HIS CB  CG   sing N N 229 
HIS CB  HB2  sing N N 230 
HIS CB  HB3  sing N N 231 
HIS CG  ND1  sing Y N 232 
HIS CG  CD2  doub Y N 233 
HIS ND1 CE1  doub Y N 234 
HIS ND1 HD1  sing N N 235 
HIS CD2 NE2  sing Y N 236 
HIS CD2 HD2  sing N N 237 
HIS CE1 NE2  sing Y N 238 
HIS CE1 HE1  sing N N 239 
HIS NE2 HE2  sing N N 240 
HIS OXT HXT  sing N N 241 
HOH O   H1   sing N N 242 
HOH O   H2   sing N N 243 
ILE N   CA   sing N N 244 
ILE N   H    sing N N 245 
ILE N   H2   sing N N 246 
ILE CA  C    sing N N 247 
ILE CA  CB   sing N N 248 
ILE CA  HA   sing N N 249 
ILE C   O    doub N N 250 
ILE C   OXT  sing N N 251 
ILE CB  CG1  sing N N 252 
ILE CB  CG2  sing N N 253 
ILE CB  HB   sing N N 254 
ILE CG1 CD1  sing N N 255 
ILE CG1 HG12 sing N N 256 
ILE CG1 HG13 sing N N 257 
ILE CG2 HG21 sing N N 258 
ILE CG2 HG22 sing N N 259 
ILE CG2 HG23 sing N N 260 
ILE CD1 HD11 sing N N 261 
ILE CD1 HD12 sing N N 262 
ILE CD1 HD13 sing N N 263 
ILE OXT HXT  sing N N 264 
LEU N   CA   sing N N 265 
LEU N   H    sing N N 266 
LEU N   H2   sing N N 267 
LEU CA  C    sing N N 268 
LEU CA  CB   sing N N 269 
LEU CA  HA   sing N N 270 
LEU C   O    doub N N 271 
LEU C   OXT  sing N N 272 
LEU CB  CG   sing N N 273 
LEU CB  HB2  sing N N 274 
LEU CB  HB3  sing N N 275 
LEU CG  CD1  sing N N 276 
LEU CG  CD2  sing N N 277 
LEU CG  HG   sing N N 278 
LEU CD1 HD11 sing N N 279 
LEU CD1 HD12 sing N N 280 
LEU CD1 HD13 sing N N 281 
LEU CD2 HD21 sing N N 282 
LEU CD2 HD22 sing N N 283 
LEU CD2 HD23 sing N N 284 
LEU OXT HXT  sing N N 285 
LYS N   CA   sing N N 286 
LYS N   H    sing N N 287 
LYS N   H2   sing N N 288 
LYS CA  C    sing N N 289 
LYS CA  CB   sing N N 290 
LYS CA  HA   sing N N 291 
LYS C   O    doub N N 292 
LYS C   OXT  sing N N 293 
LYS CB  CG   sing N N 294 
LYS CB  HB2  sing N N 295 
LYS CB  HB3  sing N N 296 
LYS CG  CD   sing N N 297 
LYS CG  HG2  sing N N 298 
LYS CG  HG3  sing N N 299 
LYS CD  CE   sing N N 300 
LYS CD  HD2  sing N N 301 
LYS CD  HD3  sing N N 302 
LYS CE  NZ   sing N N 303 
LYS CE  HE2  sing N N 304 
LYS CE  HE3  sing N N 305 
LYS NZ  HZ1  sing N N 306 
LYS NZ  HZ2  sing N N 307 
LYS NZ  HZ3  sing N N 308 
LYS OXT HXT  sing N N 309 
MET N   CA   sing N N 310 
MET N   H    sing N N 311 
MET N   H2   sing N N 312 
MET CA  C    sing N N 313 
MET CA  CB   sing N N 314 
MET CA  HA   sing N N 315 
MET C   O    doub N N 316 
MET C   OXT  sing N N 317 
MET CB  CG   sing N N 318 
MET CB  HB2  sing N N 319 
MET CB  HB3  sing N N 320 
MET CG  SD   sing N N 321 
MET CG  HG2  sing N N 322 
MET CG  HG3  sing N N 323 
MET SD  CE   sing N N 324 
MET CE  HE1  sing N N 325 
MET CE  HE2  sing N N 326 
MET CE  HE3  sing N N 327 
MET OXT HXT  sing N N 328 
MOH C   O    sing N N 329 
MOH C   H1   sing N N 330 
MOH C   H2   sing N N 331 
MOH C   H3   sing N N 332 
MOH O   HO   sing N N 333 
PHE N   CA   sing N N 334 
PHE N   H    sing N N 335 
PHE N   H2   sing N N 336 
PHE CA  C    sing N N 337 
PHE CA  CB   sing N N 338 
PHE CA  HA   sing N N 339 
PHE C   O    doub N N 340 
PHE C   OXT  sing N N 341 
PHE CB  CG   sing N N 342 
PHE CB  HB2  sing N N 343 
PHE CB  HB3  sing N N 344 
PHE CG  CD1  doub Y N 345 
PHE CG  CD2  sing Y N 346 
PHE CD1 CE1  sing Y N 347 
PHE CD1 HD1  sing N N 348 
PHE CD2 CE2  doub Y N 349 
PHE CD2 HD2  sing N N 350 
PHE CE1 CZ   doub Y N 351 
PHE CE1 HE1  sing N N 352 
PHE CE2 CZ   sing Y N 353 
PHE CE2 HE2  sing N N 354 
PHE CZ  HZ   sing N N 355 
PHE OXT HXT  sing N N 356 
PRO N   CA   sing N N 357 
PRO N   CD   sing N N 358 
PRO N   H    sing N N 359 
PRO CA  C    sing N N 360 
PRO CA  CB   sing N N 361 
PRO CA  HA   sing N N 362 
PRO C   O    doub N N 363 
PRO C   OXT  sing N N 364 
PRO CB  CG   sing N N 365 
PRO CB  HB2  sing N N 366 
PRO CB  HB3  sing N N 367 
PRO CG  CD   sing N N 368 
PRO CG  HG2  sing N N 369 
PRO CG  HG3  sing N N 370 
PRO CD  HD2  sing N N 371 
PRO CD  HD3  sing N N 372 
PRO OXT HXT  sing N N 373 
SER N   CA   sing N N 374 
SER N   H    sing N N 375 
SER N   H2   sing N N 376 
SER CA  C    sing N N 377 
SER CA  CB   sing N N 378 
SER CA  HA   sing N N 379 
SER C   O    doub N N 380 
SER C   OXT  sing N N 381 
SER CB  OG   sing N N 382 
SER CB  HB2  sing N N 383 
SER CB  HB3  sing N N 384 
SER OG  HG   sing N N 385 
SER OXT HXT  sing N N 386 
THR N   CA   sing N N 387 
THR N   H    sing N N 388 
THR N   H2   sing N N 389 
THR CA  C    sing N N 390 
THR CA  CB   sing N N 391 
THR CA  HA   sing N N 392 
THR C   O    doub N N 393 
THR C   OXT  sing N N 394 
THR CB  OG1  sing N N 395 
THR CB  CG2  sing N N 396 
THR CB  HB   sing N N 397 
THR OG1 HG1  sing N N 398 
THR CG2 HG21 sing N N 399 
THR CG2 HG22 sing N N 400 
THR CG2 HG23 sing N N 401 
THR OXT HXT  sing N N 402 
TRP N   CA   sing N N 403 
TRP N   H    sing N N 404 
TRP N   H2   sing N N 405 
TRP CA  C    sing N N 406 
TRP CA  CB   sing N N 407 
TRP CA  HA   sing N N 408 
TRP C   O    doub N N 409 
TRP C   OXT  sing N N 410 
TRP CB  CG   sing N N 411 
TRP CB  HB2  sing N N 412 
TRP CB  HB3  sing N N 413 
TRP CG  CD1  doub Y N 414 
TRP CG  CD2  sing Y N 415 
TRP CD1 NE1  sing Y N 416 
TRP CD1 HD1  sing N N 417 
TRP CD2 CE2  doub Y N 418 
TRP CD2 CE3  sing Y N 419 
TRP NE1 CE2  sing Y N 420 
TRP NE1 HE1  sing N N 421 
TRP CE2 CZ2  sing Y N 422 
TRP CE3 CZ3  doub Y N 423 
TRP CE3 HE3  sing N N 424 
TRP CZ2 CH2  doub Y N 425 
TRP CZ2 HZ2  sing N N 426 
TRP CZ3 CH2  sing Y N 427 
TRP CZ3 HZ3  sing N N 428 
TRP CH2 HH2  sing N N 429 
TRP OXT HXT  sing N N 430 
TYR N   CA   sing N N 431 
TYR N   H    sing N N 432 
TYR N   H2   sing N N 433 
TYR CA  C    sing N N 434 
TYR CA  CB   sing N N 435 
TYR CA  HA   sing N N 436 
TYR C   O    doub N N 437 
TYR C   OXT  sing N N 438 
TYR CB  CG   sing N N 439 
TYR CB  HB2  sing N N 440 
TYR CB  HB3  sing N N 441 
TYR CG  CD1  doub Y N 442 
TYR CG  CD2  sing Y N 443 
TYR CD1 CE1  sing Y N 444 
TYR CD1 HD1  sing N N 445 
TYR CD2 CE2  doub Y N 446 
TYR CD2 HD2  sing N N 447 
TYR CE1 CZ   doub Y N 448 
TYR CE1 HE1  sing N N 449 
TYR CE2 CZ   sing Y N 450 
TYR CE2 HE2  sing N N 451 
TYR CZ  OH   sing N N 452 
TYR OH  HH   sing N N 453 
TYR OXT HXT  sing N N 454 
VAL N   CA   sing N N 455 
VAL N   H    sing N N 456 
VAL N   H2   sing N N 457 
VAL CA  C    sing N N 458 
VAL CA  CB   sing N N 459 
VAL CA  HA   sing N N 460 
VAL C   O    doub N N 461 
VAL C   OXT  sing N N 462 
VAL CB  CG1  sing N N 463 
VAL CB  CG2  sing N N 464 
VAL CB  HB   sing N N 465 
VAL CG1 HG11 sing N N 466 
VAL CG1 HG12 sing N N 467 
VAL CG1 HG13 sing N N 468 
VAL CG2 HG21 sing N N 469 
VAL CG2 HG22 sing N N 470 
VAL CG2 HG23 sing N N 471 
VAL OXT HXT  sing N N 472 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2B4Z 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'C 1 2 1' 
_space_group.name_Hall        'C 2y' 
_space_group.IT_number        5 
_space_group.crystal_system   monoclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9MT1 
_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]   0.017176 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.004615 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.029281 
_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]   0.009855 
_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_b1 
_atom_type.scat_Cromer_Mann_b2 
_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.
;
? 
H  ? ? 0.51345  0.48472 24.73122 6.32584  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.
;
? 
NA ? ? ?        ?       ?        ?        ?   ? ? 
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   ? 3.62370   -19.86820 1.10542  1.000 36.24332 ? -3  GLY A N    1 
ATOM   2    C  CA   . GLY A 1 1   ? 4.42017   -20.77638 1.91144  1.000 35.02648 ? -3  GLY A CA   1 
ATOM   3    C  C    . GLY A 1 1   ? 4.29552   -20.61139 3.41857  1.000 24.40679 ? -3  GLY A C    1 
ATOM   4    O  O    . GLY A 1 1   ? 5.11134   -19.93772 4.05044  1.000 39.42113 ? -3  GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 1   ? 4.16056   -21.68587 1.69617  1.000 42.05535 ? -3  GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 1   ? 5.35430   -20.65183 1.68169  1.000 42.05535 ? -3  GLY A HA3  1 
ATOM   7    N  N    A VAL A 1 2   ? 3.28772   -21.26136 3.99437  0.497 19.91583 ? -2  VAL A N    1 
ATOM   8    N  N    B VAL A 1 2   ? 3.25767   -21.21241 3.99200  0.503 18.83478 ? -2  VAL A N    1 
ATOM   9    C  CA   A VAL A 1 2   ? 3.01620   -21.20606 5.43035  0.497 14.19554 ? -2  VAL A CA   1 
ATOM   10   C  CA   B VAL A 1 2   ? 3.06310   -21.20242 5.44008  0.503 13.67533 ? -2  VAL A CA   1 
ATOM   11   C  C    A VAL A 1 2   ? 3.12729   -22.61601 6.01021  0.497 10.85472 ? -2  VAL A C    1 
ATOM   12   C  C    B VAL A 1 2   ? 3.26053   -22.61978 5.97242  0.503 11.58379 ? -2  VAL A C    1 
ATOM   13   O  O    A VAL A 1 2   ? 2.74255   -23.58580 5.33480  0.497 12.78718 ? -2  VAL A O    1 
ATOM   14   O  O    B VAL A 1 2   ? 3.08822   -23.59261 5.22045  0.503 17.60700 ? -2  VAL A O    1 
ATOM   15   C  CB   A VAL A 1 2   ? 1.61334   -20.63027 5.66228  0.497 8.93004  ? -2  VAL A CB   1 
ATOM   16   C  CB   B VAL A 1 2   ? 1.66416   -20.68513 5.80120  0.503 12.71309 ? -2  VAL A CB   1 
ATOM   17   C  CG1  A VAL A 1 2   ? 1.21356   -20.68620 7.13810  0.497 19.88224 ? -2  VAL A CG1  1 
ATOM   18   C  CG1  B VAL A 1 2   ? 1.42713   -19.30413 5.24646  0.503 6.83812  ? -2  VAL A CG1  1 
ATOM   19   C  CG2  A VAL A 1 2   ? 1.52091   -19.20611 5.14865  0.497 17.74434 ? -2  VAL A CG2  1 
ATOM   20   C  CG2  B VAL A 1 2   ? 0.60091   -21.63700 5.28945  0.503 15.32864 ? -2  VAL A CG2  1 
ATOM   21   H  H    A VAL A 1 2   ? 2.73110   -21.75513 3.56314  0.497 23.92256 ? -2  VAL A H    1 
ATOM   22   H  H    B VAL A 1 2   ? 2.64671   -21.63662 3.56028  0.503 22.62531 ? -2  VAL A H    1 
ATOM   23   H  HA   A VAL A 1 2   ? 3.67562   -20.64901 5.87280  0.497 17.05822 ? -2  VAL A HA   1 
ATOM   24   H  HA   B VAL A 1 2   ? 3.72716   -20.62219 5.84414  0.503 16.43397 ? -2  VAL A HA   1 
ATOM   25   H  HB   A VAL A 1 2   ? 0.98649   -21.17961 5.16612  0.497 10.73961 ? -2  VAL A HB   1 
ATOM   26   H  HB   B VAL A 1 2   ? 1.60343   -20.63297 6.76789  0.503 15.27927 ? -2  VAL A HB   1 
ATOM   27   H  HG11 A VAL A 1 2   ? 0.30156   -20.36900 7.23047  0.497 23.88226 ? -2  VAL A HG11 1 
ATOM   28   H  HG11 B VAL A 1 2   ? 0.53460   -19.01415 5.49180  0.503 8.22930  ? -2  VAL A HG11 1 
ATOM   29   H  HG12 A VAL A 1 2   ? 1.27789   -21.60305 7.44818  0.497 23.88226 ? -2  VAL A HG12 1 
ATOM   30   H  HG12 B VAL A 1 2   ? 2.08604   -18.69708 5.61825  0.503 8.22930  ? -2  VAL A HG12 1 
ATOM   31   H  HG13 A VAL A 1 2   ? 1.81369   -20.12120 7.64948  0.497 23.88226 ? -2  VAL A HG13 1 
ATOM   32   H  HG13 B VAL A 1 2   ? 1.51175   -19.33298 4.28059  0.503 8.22930  ? -2  VAL A HG13 1 
ATOM   33   H  HG21 A VAL A 1 2   ? 0.62951   -18.86513 5.32195  0.497 21.31678 ? -2  VAL A HG21 1 
ATOM   34   H  HG21 B VAL A 1 2   ? -0.27015  -21.22320 5.39397  0.503 18.41793 ? -2  VAL A HG21 1 
ATOM   35   H  HG22 A VAL A 1 2   ? 2.17866   -18.66126 5.60844  0.497 21.31678 ? -2  VAL A HG22 1 
ATOM   36   H  HG22 B VAL A 1 2   ? 0.76835   -21.82321 4.35234  0.503 18.41793 ? -2  VAL A HG22 1 
ATOM   37   H  HG23 A VAL A 1 2   ? 1.69683   -19.20238 4.19475  0.497 21.31678 ? -2  VAL A HG23 1 
ATOM   38   H  HG23 B VAL A 1 2   ? 0.64009   -22.45943 5.80226  0.503 18.41793 ? -2  VAL A HG23 1 
ATOM   39   N  N    . PRO A 1 3   ? 3.60925   -22.79124 7.24690  1.000 10.92673 ? -1  PRO A N    1 
ATOM   40   C  CA   . PRO A 1 3   ? 3.67841   -24.14316 7.81370  1.000 11.66802 ? -1  PRO A CA   1 
ATOM   41   C  C    . PRO A 1 3   ? 2.30004   -24.77624 7.83237  1.000 12.38990 ? -1  PRO A C    1 
ATOM   42   O  O    . PRO A 1 3   ? 1.28692   -24.09891 8.02162  1.000 12.40316 ? -1  PRO A O    1 
ATOM   43   C  CB   . PRO A 1 3   ? 4.16399   -23.90828 9.24525  1.000 14.23479 ? -1  PRO A CB   1 
ATOM   44   C  CG   . PRO A 1 3   ? 4.78957   -22.55965 9.24664  1.000 15.28139 ? -1  PRO A CG   1 
ATOM   45   C  CD   . PRO A 1 3   ? 4.05491   -21.76398 8.21114  1.000 15.15686 ? -1  PRO A CD   1 
ATOM   46   H  HA   . PRO A 1 3   ? 4.31293   -24.69281 7.32772  1.000 14.02519 ? -1  PRO A HA   1 
ATOM   47   H  HB2  . PRO A 1 3   ? 3.41006   -23.93828 9.85484  1.000 17.10532 ? -1  PRO A HB2  1 
ATOM   48   H  HB3  . PRO A 1 3   ? 4.81241   -24.58840 9.48584  1.000 17.10532 ? -1  PRO A HB3  1 
ATOM   49   H  HG2  . PRO A 1 3   ? 4.69236   -22.15524 10.12294 1.000 18.36123 ? -1  PRO A HG2  1 
ATOM   50   H  HG3  . PRO A 1 3   ? 5.72933   -22.63513 9.01850  1.000 18.36123 ? -1  PRO A HG3  1 
ATOM   51   H  HD2  . PRO A 1 3   ? 3.29521   -21.30539 8.60288  1.000 18.21180 ? -1  PRO A HD2  1 
ATOM   52   H  HD3  . PRO A 1 3   ? 4.64542   -21.12331 7.78484  1.000 18.21180 ? -1  PRO A HD3  1 
ATOM   53   N  N    . ALA A 1 4   ? 2.26566   -26.09315 7.67529  1.000 11.02429 ? 0   ALA A N    1 
ATOM   54   C  CA   . ALA A 1 4   ? 0.99916   -26.80005 7.83405  1.000 12.17378 ? 0   ALA A CA   1 
ATOM   55   C  C    . ALA A 1 4   ? 0.46557   -26.53929 9.23379  1.000 10.94328 ? 0   ALA A C    1 
ATOM   56   O  O    . ALA A 1 4   ? 1.21799   -26.55650 10.21745 1.000 15.49125 ? 0   ALA A O    1 
ATOM   57   C  CB   . ALA A 1 4   ? 1.19485   -28.29198 7.65525  1.000 15.24282 ? 0   ALA A CB   1 
ATOM   58   H  H    . ALA A 1 4   ? 2.94053   -26.58996 7.48207  1.000 13.25271 ? 0   ALA A H    1 
ATOM   59   H  HA   . ALA A 1 4   ? 0.36583   -26.49411 7.16607  1.000 14.63210 ? 0   ALA A HA   1 
ATOM   60   H  HB1  . ALA A 1 4   ? 0.32629   -28.71863 7.58832  1.000 18.31495 ? 0   ALA A HB1  1 
ATOM   61   H  HB2  . ALA A 1 4   ? 1.70376   -28.44881 6.84450  1.000 18.31495 ? 0   ALA A HB2  1 
ATOM   62   H  HB3  . ALA A 1 4   ? 1.67684   -28.64130 8.42112  1.000 18.31495 ? 0   ALA A HB3  1 
ATOM   63   N  N    . GLY A 1 5   ? -0.82990  -26.28370 9.32234  1.000 10.94349 ? 1   GLY A N    1 
ATOM   64   C  CA   . GLY A 1 5   ? -1.46280  -25.89617 10.56212 1.000 13.00063 ? 1   GLY A CA   1 
ATOM   65   C  C    . GLY A 1 5   ? -2.38231  -26.95594 11.13819 1.000 13.69798 ? 1   GLY A C    1 
ATOM   66   O  O    . GLY A 1 5   ? -2.97080  -27.76089 10.41830 1.000 12.15711 ? 1   GLY A O    1 
ATOM   67   H  H    . GLY A 1 5   ? -1.37293  -26.33073 8.65713  1.000 13.15575 ? 1   GLY A H    1 
ATOM   68   H  HA2  . GLY A 1 5   ? -0.77676  -25.70540 11.22080 1.000 15.62432 ? 1   GLY A HA2  1 
ATOM   69   H  HA3  . GLY A 1 5   ? -1.98776  -25.09451 10.41164 1.000 15.62432 ? 1   GLY A HA3  1 
ATOM   70   N  N    . ASP A 1 6   ? -2.53154  -26.90578 12.44910 1.000 11.59918 ? 2   ASP A N    1 
ATOM   71   C  CA   . ASP A 1 6   ? -3.39289  -27.79565 13.21113 1.000 11.58211 ? 2   ASP A CA   1 
ATOM   72   C  C    . ASP A 1 6   ? -4.63115  -27.00717 13.62765 1.000 10.95091 ? 2   ASP A C    1 
ATOM   73   O  O    . ASP A 1 6   ? -4.52965  -26.07819 14.43946 1.000 11.21967 ? 2   ASP A O    1 
ATOM   74   C  CB   . ASP A 1 6   ? -2.58303  -28.25368 14.41974 1.000 12.78015 ? 2   ASP A CB   1 
ATOM   75   C  CG   . ASP A 1 6   ? -3.33717  -29.18797 15.33933 1.000 19.61846 ? 2   ASP A CG   1 
ATOM   76   O  OD1  . ASP A 1 6   ? -4.56805  -29.02393 15.52665 1.000 17.30632 ? 2   ASP A OD1  1 
ATOM   77   O  OD2  . ASP A 1 6   ? -2.66331  -30.09895 15.90086 1.000 21.82860 ? 2   ASP A OD2  1 
ATOM   78   H  H    . ASP A 1 6   ? -2.12256  -26.33456 12.94512 1.000 13.94259 ? 2   ASP A H    1 
ATOM   79   H  HA   . ASP A 1 6   ? -3.70009  -28.55628 12.69347 1.000 13.92210 ? 2   ASP A HA   1 
ATOM   80   H  HB2  . ASP A 1 6   ? -1.79246  -28.72076 14.10713 1.000 15.35974 ? 2   ASP A HB2  1 
ATOM   81   H  HB3  . ASP A 1 6   ? -2.32529  -27.47432 14.93653 1.000 15.35974 ? 2   ASP A HB3  1 
ATOM   82   N  N    A VAL A 1 7   ? -5.79656  -27.36169 13.07510 0.472 9.53474  ? 3   VAL A N    1 
ATOM   83   N  N    B VAL A 1 7   ? -5.78785  -27.38652 13.06933 0.528 9.54272  ? 3   VAL A N    1 
ATOM   84   C  CA   A VAL A 1 7   ? -6.98666  -26.52943 13.27051 0.472 10.40915 ? 3   VAL A CA   1 
ATOM   85   C  CA   B VAL A 1 7   ? -7.02825  -26.62649 13.24272 0.528 12.20598 ? 3   VAL A CA   1 
ATOM   86   C  C    A VAL A 1 7   ? -7.47402  -26.55640 14.71428 0.472 12.41804 ? 3   VAL A C    1 
ATOM   87   C  C    B VAL A 1 7   ? -7.42774  -26.55254 14.70901 0.528 13.29437 ? 3   VAL A C    1 
ATOM   88   O  O    A VAL A 1 7   ? -8.08571  -25.59069 15.17213 0.472 9.17655  ? 3   VAL A O    1 
ATOM   89   O  O    B VAL A 1 7   ? -7.91110  -25.51780 15.17785 0.528 12.83465 ? 3   VAL A O    1 
ATOM   90   C  CB   A VAL A 1 7   ? -8.11225  -26.89257 12.28165 0.472 12.10307 ? 3   VAL A CB   1 
ATOM   91   C  CB   B VAL A 1 7   ? -8.14300  -27.24062 12.37055 0.528 12.61345 ? 3   VAL A CB   1 
ATOM   92   C  CG1  A VAL A 1 7   ? -7.64974  -26.69220 10.85725 0.472 18.25521 ? 3   VAL A CG1  1 
ATOM   93   C  CG1  B VAL A 1 7   ? -9.53505  -26.84427 12.86476 0.528 9.38510  ? 3   VAL A CG1  1 
ATOM   94   C  CG2  A VAL A 1 7   ? -8.59113  -28.31372 12.50929 0.472 11.36840 ? 3   VAL A CG2  1 
ATOM   95   C  CG2  B VAL A 1 7   ? -7.97019  -26.81297 10.93892 0.528 10.62303 ? 3   VAL A CG2  1 
ATOM   96   H  H    A VAL A 1 7   ? -5.92414  -28.06264 12.59344 0.472 11.32386 ? 3   VAL A H    1 
ATOM   97   H  H    B VAL A 1 7   ? -5.88323  -28.08741 12.58019 0.528 11.38519 ? 3   VAL A H    1 
ATOM   98   H  HA   A VAL A 1 7   ? -6.71718  -25.61857 13.07403 0.472 12.51454 ? 3   VAL A HA   1 
ATOM   99   H  HA   B VAL A 1 7   ? -6.87499  -25.71592 12.94562 0.528 14.67074 ? 3   VAL A HA   1 
ATOM   100  H  HB   A VAL A 1 7   ? -8.86693  -26.30263 12.43439 0.472 14.54725 ? 3   VAL A HB   1 
ATOM   101  H  HB   B VAL A 1 7   ? -8.07361  -28.20621 12.43144 0.528 15.15971 ? 3   VAL A HB   1 
ATOM   102  H  HG11 A VAL A 1 7   ? -8.42415  -26.67363 10.27342 0.472 21.92982 ? 3   VAL A HG11 1 
ATOM   103  H  HG11 B VAL A 1 7   ? -10.19678 -27.15452 12.22698 0.528 11.28569 ? 3   VAL A HG11 1 
ATOM   104  H  HG12 A VAL A 1 7   ? -7.16943  -25.85166 10.79646 0.472 21.92982 ? 3   VAL A HG12 1 
ATOM   105  H  HG12 B VAL A 1 7   ? -9.69166  -27.25428 13.72978 0.528 11.28569 ? 3   VAL A HG12 1 
ATOM   106  H  HG13 A VAL A 1 7   ? -7.06565  -27.42567 10.60874 0.472 21.92982 ? 3   VAL A HG13 1 
ATOM   107  H  HG13 B VAL A 1 7   ? -9.57903  -25.87848 12.94366 0.528 11.28569 ? 3   VAL A HG13 1 
ATOM   108  H  HG21 A VAL A 1 7   ? -9.14973  -28.58208 11.76307 0.472 13.66565 ? 3   VAL A HG21 1 
ATOM   109  H  HG21 B VAL A 1 7   ? -8.69266  -27.18454 10.40894 0.528 12.77120 ? 3   VAL A HG21 1 
ATOM   110  H  HG22 A VAL A 1 7   ? -7.82103  -28.89998 12.57362 0.472 13.66565 ? 3   VAL A HG22 1 
ATOM   111  H  HG22 B VAL A 1 7   ? -7.99131  -25.84425 10.89395 0.528 12.77120 ? 3   VAL A HG22 1 
ATOM   112  H  HG23 A VAL A 1 7   ? -9.10174  -28.34673 13.33336 0.472 13.66565 ? 3   VAL A HG23 1 
ATOM   113  H  HG23 B VAL A 1 7   ? -7.11775  -27.14077 10.61211 0.528 12.77120 ? 3   VAL A HG23 1 
ATOM   114  N  N    . GLU A 1 8   ? -7.24154  -27.64179 15.45462 1.000 10.94165 ? 4   GLU A N    1 
ATOM   115  C  CA   . GLU A 1 8   ? -7.64401  -27.65566 16.85768 1.000 10.21542 ? 4   GLU A CA   1 
ATOM   116  C  C    . GLU A 1 8   ? -6.79344  -26.69722 17.66567 1.000 13.25360 ? 4   GLU A C    1 
ATOM   117  O  O    . GLU A 1 8   ? -7.31591  -25.93785 18.48821 1.000 12.52594 ? 4   GLU A O    1 
ATOM   118  C  CB   . GLU A 1 8   ? -7.53565  -29.06301 17.44751 1.000 21.98150 ? 4   GLU A CB   1 
ATOM   119  C  CG   . GLU A 1 8   ? -8.54537  -30.04126 16.89559 1.000 28.69113 ? 4   GLU A CG   1 
ATOM   120  C  CD   . GLU A 1 8   ? -9.95830  -29.50167 16.96932 1.000 32.98726 ? 4   GLU A CD   1 
ATOM   121  O  OE1  . GLU A 1 8   ? -10.43890 -29.28157 18.10210 1.000 34.05627 ? 4   GLU A OE1  1 
ATOM   122  O  OE2  . GLU A 1 8   ? -10.56607 -29.26008 15.90139 1.000 33.48754 ? 4   GLU A OE2  1 
ATOM   123  H  H    . GLU A 1 8   ? -6.88955  -28.37588 15.17747 1.000 13.15355 ? 4   GLU A H    1 
ATOM   124  H  HA   . GLU A 1 8   ? -8.57366  -27.38321 16.90687 1.000 12.28206 ? 4   GLU A HA   1 
ATOM   125  H  HB2  . GLU A 1 8   ? -6.65130  -29.41270 17.25634 1.000 26.40137 ? 4   GLU A HB2  1 
ATOM   126  H  HB3  . GLU A 1 8   ? -7.67094  -29.00916 18.40651 1.000 26.40137 ? 4   GLU A HB3  1 
ATOM   127  H  HG2  . GLU A 1 8   ? -8.33838  -30.22241 15.96541 1.000 34.45292 ? 4   GLU A HG2  1 
ATOM   128  H  HG3  . GLU A 1 8   ? -8.50755  -30.86278 17.40995 1.000 34.45292 ? 4   GLU A HG3  1 
ATOM   129  N  N    . LYS A 1 9   ? -5.47282  -26.73534 17.47781 1.000 12.61058 ? 5   LYS A N    1 
ATOM   130  C  CA   . LYS A 1 9   ? -4.62622  -25.76460 18.16133 1.000 12.35811 ? 5   LYS A CA   1 
ATOM   131  C  C    . LYS A 1 9   ? -4.95668  -24.35479 17.71068 1.000 11.30994 ? 5   LYS A C    1 
ATOM   132  O  O    . LYS A 1 9   ? -4.93324  -23.40814 18.51129 1.000 11.68334 ? 5   LYS A O    1 
ATOM   133  C  CB   . LYS A 1 9   ? -3.15428  -26.08828 17.91514 1.000 12.57531 ? 5   LYS A CB   1 
ATOM   134  C  CG   . LYS A 1 9   ? -2.73612  -27.39962 18.55631 1.000 14.35353 ? 5   LYS A CG   1 
ATOM   135  C  CD   . LYS A 1 9   ? -1.26352  -27.65984 18.34508 1.000 20.30519 ? 5   LYS A CD   1 
ATOM   136  C  CE   . LYS A 1 9   ? -0.86239  -28.92505 19.07398 1.000 21.14034 ? 5   LYS A CE   1 
ATOM   137  N  NZ   . LYS A 1 9   ? 0.56775   -29.20912 18.86275 1.000 34.14708 ? 5   LYS A NZ   1 
ATOM   138  H  H    . LYS A 1 9   ? -5.05521  -27.29509 16.97594 1.000 15.15627 ? 5   LYS A H    1 
ATOM   139  H  HA   . LYS A 1 9   ? -4.78139  -25.81945 19.11727 1.000 14.85330 ? 5   LYS A HA   1 
ATOM   140  H  HB2  . LYS A 1 9   ? -2.99994  -26.15635 16.95992 1.000 15.11393 ? 5   LYS A HB2  1 
ATOM   141  H  HB3  . LYS A 1 9   ? -2.60690  -25.38066 18.29005 1.000 15.11393 ? 5   LYS A HB3  1 
ATOM   142  H  HG2  . LYS A 1 9   ? -2.90748  -27.36208 19.51031 1.000 17.24780 ? 5   LYS A HG2  1 
ATOM   143  H  HG3  . LYS A 1 9   ? -3.23692  -28.12847 18.15771 1.000 17.24780 ? 5   LYS A HG3  1 
ATOM   144  H  HD2  . LYS A 1 9   ? -1.08218  -27.77291 17.39891 1.000 24.38980 ? 5   LYS A HD2  1 
ATOM   145  H  HD3  . LYS A 1 9   ? -0.74520  -26.91882 18.69598 1.000 24.38980 ? 5   LYS A HD3  1 
ATOM   146  H  HE2  . LYS A 1 9   ? -1.01909  -28.81600 20.02501 1.000 25.39197 ? 5   LYS A HE2  1 
ATOM   147  H  HE3  . LYS A 1 9   ? -1.37965  -29.67285 18.73613 1.000 25.39197 ? 5   LYS A HE3  1 
ATOM   148  H  HZ1  . LYS A 1 9   ? 0.79633   -29.95527 19.29065 1.000 41.00006 ? 5   LYS A HZ1  1 
ATOM   149  H  HZ2  . LYS A 1 9   ? 0.73259   -29.31217 17.99424 1.000 41.00006 ? 5   LYS A HZ2  1 
ATOM   150  H  HZ3  . LYS A 1 9   ? 1.06078   -28.53597 19.17243 1.000 41.00006 ? 5   LYS A HZ3  1 
ATOM   151  N  N    . GLY A 1 10  ? -5.28452  -24.18928 16.43096 1.000 10.89997 ? 6   GLY A N    1 
ATOM   152  C  CA   . GLY A 1 10  ? -5.58976  -22.87027 15.92358 1.000 9.44650  ? 6   GLY A CA   1 
ATOM   153  C  C    . GLY A 1 10  ? -6.90130  -22.32496 16.43816 1.000 10.15332 ? 6   GLY A C    1 
ATOM   154  O  O    . GLY A 1 10  ? -7.05174  -21.11952 16.57615 1.000 9.90358  ? 6   GLY A O    1 
ATOM   155  H  H    . GLY A 1 10  ? -5.33564  -24.81836 15.84679 1.000 13.10353 ? 6   GLY A H    1 
ATOM   156  H  HA2  . GLY A 1 10  ? -4.88411  -22.25811 16.18475 1.000 11.35936 ? 6   GLY A HA2  1 
ATOM   157  H  HA3  . GLY A 1 10  ? -5.63543  -22.90492 14.95528 1.000 11.35936 ? 6   GLY A HA3  1 
ATOM   158  N  N    . LYS A 1 11  ? -7.87710  -23.19949 16.68864 1.000 9.04369  ? 7   LYS A N    1 
ATOM   159  C  CA   . LYS A 1 11  ? -9.13498  -22.75826 17.29126 1.000 8.54523  ? 7   LYS A CA   1 
ATOM   160  C  C    . LYS A 1 11  ? -8.89999  -22.16353 18.67373 1.000 8.58121  ? 7   LYS A C    1 
ATOM   161  O  O    . LYS A 1 11  ? -9.48924  -21.12709 19.02866 1.000 9.93241  ? 7   LYS A O    1 
ATOM   162  C  CB   . LYS A 1 11  ? -10.10486 -23.94039 17.39101 1.000 10.47224 ? 7   LYS A CB   1 
ATOM   163  C  CG   . LYS A 1 11  ? -11.44988 -23.56586 18.02326 1.000 14.33107 ? 7   LYS A CG   1 
ATOM   164  C  CD   . LYS A 1 11  ? -12.48760 -24.70144 17.90275 1.000 17.67321 ? 7   LYS A CD   1 
ATOM   165  C  CE   . LYS A 1 11  ? -12.05548 -25.98727 18.53746 1.000 26.64048 ? 7   LYS A CE   1 
ATOM   166  N  NZ   . LYS A 1 11  ? -13.09932 -27.03462 18.31697 1.000 40.05627 ? 7   LYS A NZ   1 
ATOM   167  H  H    . LYS A 1 11  ? -7.83939  -24.04247 16.52261 1.000 10.87599 ? 7   LYS A H    1 
ATOM   168  H  HA   . LYS A 1 11  ? -9.53207  -22.07751 16.72575 1.000 10.13645 ? 7   LYS A HA   1 
ATOM   169  H  HB2  . LYS A 1 11  ? -10.27847 -24.28020 16.49922 1.000 12.59025 ? 7   LYS A HB2  1 
ATOM   170  H  HB3  . LYS A 1 11  ? -9.70079  -24.63283 17.93705 1.000 12.59025 ? 7   LYS A HB3  1 
ATOM   171  H  HG2  . LYS A 1 11  ? -11.31739 -23.37681 18.96539 1.000 17.22085 ? 7   LYS A HG2  1 
ATOM   172  H  HG3  . LYS A 1 11  ? -11.80577 -22.78293 17.57464 1.000 17.22085 ? 7   LYS A HG3  1 
ATOM   173  H  HD2  . LYS A 1 11  ? -13.30922 -24.42075 18.33524 1.000 21.23141 ? 7   LYS A HD2  1 
ATOM   174  H  HD3  . LYS A 1 11  ? -12.65066 -24.87691 16.96279 1.000 21.23141 ? 7   LYS A HD3  1 
ATOM   175  H  HE2  . LYS A 1 11  ? -11.22348 -26.28647 18.13853 1.000 31.99214 ? 7   LYS A HE2  1 
ATOM   176  H  HE3  . LYS A 1 11  ? -11.93848 -25.85876 19.49177 1.000 31.99214 ? 7   LYS A HE3  1 
ATOM   177  H  HZ1  . LYS A 1 11  ? -12.80116 -27.82518 18.59665 1.000 48.09109 ? 7   LYS A HZ1  1 
ATOM   178  H  HZ2  . LYS A 1 11  ? -13.83785 -26.82819 18.76870 1.000 48.09109 ? 7   LYS A HZ2  1 
ATOM   179  H  HZ3  . LYS A 1 11  ? -13.29655 -27.09024 17.45088 1.000 48.09109 ? 7   LYS A HZ3  1 
ATOM   180  N  N    . LYS A 1 12  ? -8.03678  -22.80464 19.46717 1.000 10.15190 ? 8   LYS A N    1 
ATOM   181  C  CA   . LYS A 1 12  ? -7.72705  -22.31528 20.80543 1.000 10.95671 ? 8   LYS A CA   1 
ATOM   182  C  C    . LYS A 1 12  ? -7.06487  -20.94795 20.73109 1.000 8.51674  ? 8   LYS A C    1 
ATOM   183  O  O    . LYS A 1 12  ? -7.40863  -20.03453 21.48415 1.000 10.01720 ? 8   LYS A O    1 
ATOM   184  C  CB   . LYS A 1 12  ? -6.81368  -23.31832 21.51478 1.000 12.25098 ? 8   LYS A CB   1 
ATOM   185  C  CG   . LYS A 1 12  ? -6.59536  -23.02548 22.97363 1.000 14.66909 ? 8   LYS A CG   1 
ATOM   186  C  CD   . LYS A 1 12  ? -5.70325  -24.08690 23.62778 1.000 22.00888 ? 8   LYS A CD   1 
ATOM   187  C  CE   . LYS A 1 12  ? -5.30770  -23.69922 25.02461 1.000 28.88264 ? 8   LYS A CE   1 
ATOM   188  N  NZ   . LYS A 1 12  ? -4.31152  -24.67995 25.56288 1.000 38.90220 ? 8   LYS A NZ   1 
ATOM   189  H  H    . LYS A 1 12  ? -7.61750  -23.52466 19.25416 1.000 12.20584 ? 8   LYS A H    1 
ATOM   190  H  HA   . LYS A 1 12  ? -8.54397  -22.23105 21.32161 1.000 13.17161 ? 8   LYS A HA   1 
ATOM   191  H  HB2  . LYS A 1 12  ? -7.21046  -24.20090 21.44760 1.000 14.72475 ? 8   LYS A HB2  1 
ATOM   192  H  HB3  . LYS A 1 12  ? -5.94675  -23.31033 21.07972 1.000 14.72475 ? 8   LYS A HB3  1 
ATOM   193  H  HG2  . LYS A 1 12  ? -6.16262  -22.16245 23.06756 1.000 17.62647 ? 8   LYS A HG2  1 
ATOM   194  H  HG3  . LYS A 1 12  ? -7.45005  -23.01973 23.43230 1.000 17.62647 ? 8   LYS A HG3  1 
ATOM   195  H  HD2  . LYS A 1 12  ? -6.18501  -24.92770 23.67094 1.000 26.43422 ? 8   LYS A HD2  1 
ATOM   196  H  HD3  . LYS A 1 12  ? -4.89514  -24.19416 23.10209 1.000 26.43422 ? 8   LYS A HD3  1 
ATOM   197  H  HE2  . LYS A 1 12  ? -4.90431  -22.81710 25.01759 1.000 34.68274 ? 8   LYS A HE2  1 
ATOM   198  H  HE3  . LYS A 1 12  ? -6.08949  -23.70195 25.59879 1.000 34.68274 ? 8   LYS A HE3  1 
ATOM   199  H  HZ1  . LYS A 1 12  ? -4.14240  -24.50341 26.41865 1.000 46.70621 ? 8   LYS A HZ1  1 
ATOM   200  H  HZ2  . LYS A 1 12  ? -4.63259  -25.50737 25.49663 1.000 46.70621 ? 8   LYS A HZ2  1 
ATOM   201  H  HZ3  . LYS A 1 12  ? -3.55230  -24.62693 25.10151 1.000 46.70621 ? 8   LYS A HZ3  1 
ATOM   202  N  N    . ILE A 1 13  ? -6.11925  -20.76707 19.80097 1.000 9.27343  ? 9   ILE A N    1 
ATOM   203  C  CA   . ILE A 1 13  ? -5.51477  -19.44865 19.61268 1.000 8.28983  ? 9   ILE A CA   1 
ATOM   204  C  C    . ILE A 1 13  ? -6.59077  -18.43635 19.24752 1.000 8.78665  ? 9   ILE A C    1 
ATOM   205  O  O    . ILE A 1 13  ? -6.62884  -17.32363 19.78562 1.000 10.14797 ? 9   ILE A O    1 
ATOM   206  C  CB   . ILE A 1 13  ? -4.39971  -19.49330 18.55101 1.000 11.16761 ? 9   ILE A CB   1 
ATOM   207  C  CG1  . ILE A 1 13  ? -3.24504  -20.38325 18.99100 1.000 9.15645  ? 9   ILE A CG1  1 
ATOM   208  C  CG2  . ILE A 1 13  ? -3.90458  -18.08466 18.22694 1.000 10.53303 ? 9   ILE A CG2  1 
ATOM   209  C  CD1  . ILE A 1 13  ? -2.36102  -20.82659 17.82828 1.000 13.93182 ? 9   ILE A CD1  1 
ATOM   210  H  H    . ILE A 1 13  ? -5.81677  -21.37859 19.27736 1.000 11.15168 ? 9   ILE A H    1 
ATOM   211  H  HA   . ILE A 1 13  ? -5.10541  -19.17831 20.44948 1.000 9.97136  ? 9   ILE A HA   1 
ATOM   212  H  HB   . ILE A 1 13  ? -4.77926  -19.88023 17.74657 1.000 13.42470 ? 9   ILE A HB   1 
ATOM   213  H  HG12 . ILE A 1 13  ? -2.69116  -19.89359 19.61897 1.000 11.01131 ? 9   ILE A HG12 1 
ATOM   214  H  HG13 . ILE A 1 13  ? -3.60377  -21.17849 19.41503 1.000 11.01131 ? 9   ILE A HG13 1 
ATOM   215  H  HG21 . ILE A 1 13  ? -3.07741  -18.14850 17.72433 1.000 12.66321 ? 9   ILE A HG21 1 
ATOM   216  H  HG22 . ILE A 1 13  ? -4.57768  -17.62689 17.69942 1.000 12.66321 ? 9   ILE A HG22 1 
ATOM   217  H  HG23 . ILE A 1 13  ? -3.75162  -17.60513 19.05613 1.000 12.66321 ? 9   ILE A HG23 1 
ATOM   218  H  HD11 . ILE A 1 13  ? -1.57909  -21.27952 18.18089 1.000 16.74175 ? 9   ILE A HD11 1 
ATOM   219  H  HD12 . ILE A 1 13  ? -2.86512  -21.43038 17.26064 1.000 16.74175 ? 9   ILE A HD12 1 
ATOM   220  H  HD13 . ILE A 1 13  ? -2.09015  -20.04502 17.32163 1.000 16.74175 ? 9   ILE A HD13 1 
ATOM   221  N  N    . PHE A 1 14  ? -7.47496  -18.79251 18.31010 1.000 8.20036  ? 10  PHE A N    1 
ATOM   222  C  CA   . PHE A 1 14  ? -8.50123  -17.84720 17.87726 1.000 8.97088  ? 10  PHE A CA   1 
ATOM   223  C  C    . PHE A 1 14  ? -9.37363  -17.41249 19.03935 1.000 10.31916 ? 10  PHE A C    1 
ATOM   224  O  O    . PHE A 1 14  ? -9.59672  -16.21488 19.23960 1.000 8.61674  ? 10  PHE A O    1 
ATOM   225  C  CB   . PHE A 1 14  ? -9.37829  -18.42026 16.76209 1.000 9.54346  ? 10  PHE A CB   1 
ATOM   226  C  CG   . PHE A 1 14  ? -10.40847 -17.42774 16.29326 1.000 9.73489  ? 10  PHE A CG   1 
ATOM   227  C  CD1  . PHE A 1 14  ? -10.08093 -16.48702 15.31672 1.000 8.08017  ? 10  PHE A CD1  1 
ATOM   228  C  CD2  . PHE A 1 14  ? -11.65767 -17.36835 16.87890 1.000 8.94099  ? 10  PHE A CD2  1 
ATOM   229  C  CE1  . PHE A 1 14  ? -10.98497 -15.55669 14.92210 1.000 10.76418 ? 10  PHE A CE1  1 
ATOM   230  C  CE2  . PHE A 1 14  ? -12.57637 -16.39324 16.48590 1.000 9.23288  ? 10  PHE A CE2  1 
ATOM   231  C  CZ   . PHE A 1 14  ? -12.23476 -15.49263 15.52054 1.000 10.78323 ? 10  PHE A CZ   1 
ATOM   232  H  H    . PHE A 1 14  ? -7.50153  -19.55755 17.91816 1.000 9.86400  ? 10  PHE A H    1 
ATOM   233  H  HA   . PHE A 1 14  ? -8.03828  -17.07566 17.51490 1.000 10.78862 ? 10  PHE A HA   1 
ATOM   234  H  HB2  . PHE A 1 14  ? -8.81879  -18.65782 16.00617 1.000 11.47572 ? 10  PHE A HB2  1 
ATOM   235  H  HB3  . PHE A 1 14  ? -9.84128  -19.20615 17.09211 1.000 11.47572 ? 10  PHE A HB3  1 
ATOM   236  H  HD1  . PHE A 1 14  ? -9.23408  -16.49805 14.93250 1.000 9.71977  ? 10  PHE A HD1  1 
ATOM   237  H  HD2  . PHE A 1 14  ? -11.88836 -17.98151 17.53899 1.000 10.75276 ? 10  PHE A HD2  1 
ATOM   238  H  HE1  . PHE A 1 14  ? -10.76562 -14.95744 14.24558 1.000 12.94058 ? 10  PHE A HE1  1 
ATOM   239  H  HE2  . PHE A 1 14  ? -13.41764 -16.35804 16.88076 1.000 11.10303 ? 10  PHE A HE2  1 
ATOM   240  H  HZ   . PHE A 1 14  ? -12.84006 -14.83511 15.26326 1.000 12.96345 ? 10  PHE A HZ   1 
ATOM   241  N  N    . VAL A 1 15  ? -9.88948  -18.36412 19.81366 1.000 8.99282  ? 11  VAL A N    1 
ATOM   242  C  CA   . VAL A 1 15  ? -10.77653 -17.98883 20.90490 1.000 9.07179  ? 11  VAL A CA   1 
ATOM   243  C  C    . VAL A 1 15  ? -10.04182 -17.12454 21.91693 1.000 10.46026 ? 11  VAL A C    1 
ATOM   244  O  O    . VAL A 1 15  ? -10.60320 -16.15740 22.44099 1.000 9.92515  ? 11  VAL A O    1 
ATOM   245  C  CB   . VAL A 1 15  ? -11.47983 -19.21199 21.53327 1.000 11.34498 ? 11  VAL A CB   1 
ATOM   246  C  CG1  . VAL A 1 15  ? -12.34694 -19.92165 20.54717 1.000 12.62599 ? 11  VAL A CG1  1 
ATOM   247  C  CG2  . VAL A 1 15  ? -10.50992 -20.16922 22.11113 1.000 17.03700 ? 11  VAL A CG2  1 
ATOM   248  H  H    . VAL A 1 15  ? -9.74632  -19.20809 19.73110 1.000 10.81495 ? 11  VAL A H    1 
ATOM   249  H  HA   . VAL A 1 15  ? -11.49109 -17.44850 20.53295 1.000 10.90972 ? 11  VAL A HA   1 
ATOM   250  H  HB   . VAL A 1 15  ? -12.03985 -18.87057 22.24790 1.000 13.63754 ? 11  VAL A HB   1 
ATOM   251  H  HG11 . VAL A 1 15  ? -12.77412 -20.67382 20.98610 1.000 15.17475 ? 11  VAL A HG11 1 
ATOM   252  H  HG12 . VAL A 1 15  ? -13.01961 -19.30555 20.21728 1.000 15.17475 ? 11  VAL A HG12 1 
ATOM   253  H  HG13 . VAL A 1 15  ? -11.79746 -20.23603 19.81222 1.000 15.17475 ? 11  VAL A HG13 1 
ATOM   254  H  HG21 . VAL A 1 15  ? -10.98139 -20.97345 22.37916 1.000 20.46796 ? 11  VAL A HG21 1 
ATOM   255  H  HG22 . VAL A 1 15  ? -9.84200  -20.38495 21.44163 1.000 20.46796 ? 11  VAL A HG22 1 
ATOM   256  H  HG23 . VAL A 1 15  ? -10.08559 -19.76195 22.88248 1.000 20.46796 ? 11  VAL A HG23 1 
ATOM   257  N  N    . GLN A 1 16  ? -8.78189  -17.46245 22.23299 1.000 9.47064  ? 12  GLN A N    1 
ATOM   258  C  CA   . GLN A 1 16  ? -8.06073  -16.74726 23.28255 1.000 9.72246  ? 12  GLN A CA   1 
ATOM   259  C  C    . GLN A 1 16  ? -7.46698  -15.40781 22.82933 1.000 10.53314 ? 12  GLN A C    1 
ATOM   260  O  O    . GLN A 1 16  ? -7.23498  -14.52772 23.67014 1.000 13.29567 ? 12  GLN A O    1 
ATOM   261  C  CB   . GLN A 1 16  ? -6.91572  -17.60106 23.84430 1.000 9.97021  ? 12  GLN A CB   1 
ATOM   262  C  CG   . GLN A 1 16  ? -7.34474  -18.90520 24.50634 1.000 11.38296 ? 12  GLN A CG   1 
ATOM   263  C  CD   . GLN A 1 16  ? -6.22611  -19.61377 25.24071 1.000 10.40797 ? 12  GLN A CD   1 
ATOM   264  O  OE1  . GLN A 1 16  ? -5.05486  -19.20190 25.17256 1.000 13.58097 ? 12  GLN A OE1  1 
ATOM   265  N  NE2  . GLN A 1 16  ? -6.58419  -20.64817 25.95736 1.000 14.71273 ? 12  GLN A NE2  1 
ATOM   266  H  H    . GLN A 1 16  ? -8.33230  -18.09271 21.85850 1.000 11.38833 ? 12  GLN A H    1 
ATOM   267  H  HA   . GLN A 1 16  ? -8.71094  -16.57444 23.98130 1.000 11.69052 ? 12  GLN A HA   1 
ATOM   268  H  HB2  . GLN A 1 16  ? -6.31729  -17.82870 23.11562 1.000 11.98782 ? 12  GLN A HB2  1 
ATOM   269  H  HB3  . GLN A 1 16  ? -6.44287  -17.07894 24.51116 1.000 11.98782 ? 12  GLN A HB3  1 
ATOM   270  H  HG2  . GLN A 1 16  ? -8.04531  -18.71325 25.14920 1.000 13.68312 ? 12  GLN A HG2  1 
ATOM   271  H  HG3  . GLN A 1 16  ? -7.67767  -19.50754 23.82279 1.000 13.68312 ? 12  GLN A HG3  1 
ATOM   272  H  HE21 . GLN A 1 16  ? -7.41048  -20.88459 25.98827 1.000 17.67884 ? 12  GLN A HE21 1 
ATOM   273  H  HE22 . GLN A 1 16  ? -5.99328  -21.09167 26.39751 1.000 17.67884 ? 12  GLN A HE22 1 
ATOM   274  N  N    . ARG A 1 17  ? -7.18478  -15.23306 21.54879 1.000 10.13233 ? 13  ARG A N    1 
ATOM   275  C  CA   . ARG A 1 17  ? -6.47616  -14.04297 21.09774 1.000 9.19683  ? 13  ARG A CA   1 
ATOM   276  C  C    . ARG A 1 17  ? -7.26129  -13.17871 20.13165 1.000 10.12261 ? 13  ARG A C    1 
ATOM   277  O  O    . ARG A 1 17  ? -6.85262  -12.03431 19.89967 1.000 11.68504 ? 13  ARG A O    1 
ATOM   278  C  CB   . ARG A 1 17  ? -5.16986  -14.42390 20.38718 1.000 10.69858 ? 13  ARG A CB   1 
ATOM   279  C  CG   . ARG A 1 17  ? -4.23561  -15.26626 21.20993 1.000 13.26708 ? 13  ARG A CG   1 
ATOM   280  C  CD   . ARG A 1 17  ? -3.86524  -14.62969 22.51191 1.000 14.94683 ? 13  ARG A CD   1 
ATOM   281  N  NE   . ARG A 1 17  ? -3.19830  -13.34895 22.34766 1.000 18.04023 ? 13  ARG A NE   1 
ATOM   282  C  CZ   . ARG A 1 17  ? -1.89350  -13.18980 22.14509 1.000 19.62626 ? 13  ARG A CZ   1 
ATOM   283  N  NH1  . ARG A 1 17  ? -1.07848  -14.23584 22.09552 1.000 24.20324 ? 13  ARG A NH1  1 
ATOM   284  N  NH2  . ARG A 1 17  ? -1.40235  -11.96078 22.03427 1.000 28.80209 ? 13  ARG A NH2  1 
ATOM   285  H  H    . ARG A 1 17  ? -7.39171  -15.78627 20.92369 1.000 12.18236 ? 13  ARG A H    1 
ATOM   286  H  HA   . ARG A 1 17  ? -6.26465  -13.51689 21.88476 1.000 11.05976 ? 13  ARG A HA   1 
ATOM   287  H  HB2  . ARG A 1 17  ? -5.38873  -14.92585 19.58653 1.000 12.86187 ? 13  ARG A HB2  1 
ATOM   288  H  HB3  . ARG A 1 17  ? -4.69851  -13.60998 20.14999 1.000 12.86187 ? 13  ARG A HB3  1 
ATOM   289  H  HG2  . ARG A 1 17  ? -4.66409  -16.11457 21.40399 1.000 15.94406 ? 13  ARG A HG2  1 
ATOM   290  H  HG3  . ARG A 1 17  ? -3.41921  -15.41422 20.70744 1.000 15.94406 ? 13  ARG A HG3  1 
ATOM   291  H  HD2  . ARG A 1 17  ? -4.67095  -14.48256 23.03160 1.000 17.95976 ? 13  ARG A HD2  1 
ATOM   292  H  HD3  . ARG A 1 17  ? -3.26398  -15.22031 22.99207 1.000 17.95976 ? 13  ARG A HD3  1 
ATOM   293  H  HE   . ARG A 1 17  ? -3.68415  -12.64028 22.38422 1.000 21.67184 ? 13  ARG A HE   1 
ATOM   294  H  HH11 . ARG A 1 17  ? -1.39211  -15.03040 22.19503 1.000 29.06745 ? 13  ARG A HH11 1 
ATOM   295  H  HH12 . ARG A 1 17  ? -0.23666  -14.11919 21.96389 1.000 29.06745 ? 13  ARG A HH12 1 
ATOM   296  H  HH21 . ARG A 1 17  ? -1.92626  -11.28137 22.09363 1.000 34.58608 ? 13  ARG A HH21 1 
ATOM   297  H  HH22 . ARG A 1 17  ? -0.56041  -11.84438 21.90315 1.000 34.58608 ? 13  ARG A HH22 1 
ATOM   298  N  N    . CYS A 1 18  ? -8.32487  -13.70023 19.51206 1.000 10.82263 ? 14  CYS A N    1 
ATOM   299  C  CA   . CYS A 1 18  ? -8.99496  -12.98586 18.43563 1.000 8.55163  ? 14  CYS A CA   1 
ATOM   300  C  C    . CYS A 1 18  ? -10.49298 -12.83031 18.67794 1.000 8.69649  ? 14  CYS A C    1 
ATOM   301  O  O    . CYS A 1 18  ? -11.06388 -11.81205 18.27722 1.000 8.91401  ? 14  CYS A O    1 
ATOM   302  C  CB   . CYS A 1 18  ? -8.83562  -13.69122 17.09333 1.000 8.32481  ? 14  CYS A CB   1 
ATOM   303  S  SG   . CYS A 1 18  ? -7.19727  -14.36669 16.74639 1.000 8.67371  ? 14  CYS A SG   1 
ATOM   304  H  H    . CYS A 1 18  ? -8.67129  -14.46432 19.70116 1.000 13.01073 ? 14  CYS A H    1 
ATOM   305  H  HA   . CYS A 1 18  ? -8.57065  -12.11546 18.37852 1.000 10.28552 ? 14  CYS A HA   1 
ATOM   306  H  HB2  . CYS A 1 18  ? -9.46312  -14.43028 17.06269 1.000 10.01333 ? 14  CYS A HB2  1 
ATOM   307  H  HB3  . CYS A 1 18  ? -9.03833  -13.05452 16.39018 1.000 10.01333 ? 14  CYS A HB3  1 
ATOM   308  N  N    . ALA A 1 19  ? -11.15643 -13.82899 19.28303 1.000 8.13939  ? 15  ALA A N    1 
ATOM   309  C  CA   . ALA A 1 19  ? -12.61844 -13.80054 19.37587 1.000 8.07371  ? 15  ALA A CA   1 
ATOM   310  C  C    . ALA A 1 19  ? -13.14232 -12.61093 20.17049 1.000 11.48542 ? 15  ALA A C    1 
ATOM   311  O  O    . ALA A 1 19  ? -14.31423 -12.22018 19.99618 1.000 9.86290  ? 15  ALA A O    1 
ATOM   312  C  CB   . ALA A 1 19  ? -13.12848 -15.12305 19.96304 1.000 8.16774  ? 15  ALA A CB   1 
ATOM   313  H  H    . ALA A 1 19  ? -10.78957 -14.51992 19.64027 1.000 9.79083  ? 15  ALA A H    1 
ATOM   314  H  HA   . ALA A 1 19  ? -12.98442 -13.71537 18.48161 1.000 9.71202  ? 15  ALA A HA   1 
ATOM   315  H  HB1  . ALA A 1 19  ? -14.09836 -15.12220 19.94764 1.000 9.82486  ? 15  ALA A HB1  1 
ATOM   316  H  HB2  . ALA A 1 19  ? -12.78981 -15.85768 19.42777 1.000 9.82486  ? 15  ALA A HB2  1 
ATOM   317  H  HB3  . ALA A 1 19  ? -12.81223 -15.20591 20.87629 1.000 9.82486  ? 15  ALA A HB3  1 
ATOM   318  N  N    . GLN A 1 20  ? -12.32004 -12.02727 21.05019 1.000 9.60288  ? 16  GLN A N    1 
ATOM   319  C  CA   . GLN A 1 20  ? -12.72234 -10.81043 21.75160 1.000 10.29018 ? 16  GLN A CA   1 
ATOM   320  C  C    . GLN A 1 20  ? -13.23558 -9.76305  20.76772 1.000 9.05681  ? 16  GLN A C    1 
ATOM   321  O  O    . GLN A 1 20  ? -14.16630 -9.00521  21.06853 1.000 11.99319 ? 16  GLN A O    1 
ATOM   322  C  CB   . GLN A 1 20  ? -11.52661 -10.24772 22.53344 1.000 13.27908 ? 16  GLN A CB   1 
ATOM   323  C  CG   . GLN A 1 20  ? -11.69417 -8.83095  23.06845 1.000 16.28815 ? 16  GLN A CG   1 
ATOM   324  C  CD   . GLN A 1 20  ? -10.37573 -8.14396  23.39947 1.000 20.34661 ? 16  GLN A CD   1 
ATOM   325  O  OE1  . GLN A 1 20  ? -9.27473  -8.75935  23.38524 1.000 18.52306 ? 16  GLN A OE1  1 
ATOM   326  N  NE2  . GLN A 1 20  ? -10.47311 -6.85357  23.69010 1.000 20.75334 ? 16  GLN A NE2  1 
ATOM   327  H  H    . GLN A 1 20  ? -11.53502 -12.31211 21.25568 1.000 11.54702 ? 16  GLN A H    1 
ATOM   328  H  HA   . GLN A 1 20  ? -13.43128 -11.02269 22.37869 1.000 12.37178 ? 16  GLN A HA   1 
ATOM   329  H  HB2  . GLN A 1 20  ? -11.36223 -10.82537 23.29515 1.000 15.95847 ? 16  GLN A HB2  1 
ATOM   330  H  HB3  . GLN A 1 20  ? -10.75408 -10.24429 21.94685 1.000 15.95847 ? 16  GLN A HB3  1 
ATOM   331  H  HG2  . GLN A 1 20  ? -12.14745 -8.29527  22.39877 1.000 19.56935 ? 16  GLN A HG2  1 
ATOM   332  H  HG3  . GLN A 1 20  ? -12.22326 -8.86388  23.88077 1.000 19.56935 ? 16  GLN A HG3  1 
ATOM   333  H  HE21 . GLN A 1 20  ? -11.24166 -6.46775  23.68187 1.000 24.92757 ? 16  GLN A HE21 1 
ATOM   334  H  HE22 . GLN A 1 20  ? -9.76770  -6.40267  23.88679 1.000 24.92757 ? 16  GLN A HE22 1 
ATOM   335  N  N    . CYS A 1 21  ? -12.64056 -9.71140  19.58823 1.000 8.31809  ? 17  CYS A N    1 
ATOM   336  C  CA   . CYS A 1 21  ? -12.93043 -8.66924  18.61462 1.000 7.30979  ? 17  CYS A CA   1 
ATOM   337  C  C    . CYS A 1 21  ? -13.53188 -9.17334  17.30304 1.000 8.05765  ? 17  CYS A C    1 
ATOM   338  O  O    . CYS A 1 21  ? -13.89819 -8.34015  16.47240 1.000 10.33834 ? 17  CYS A O    1 
ATOM   339  C  CB   . CYS A 1 21  ? -11.63824 -7.89373  18.29897 1.000 7.45397  ? 17  CYS A CB   1 
ATOM   340  S  SG   . CYS A 1 21  ? -10.98314 -7.07013  19.76801 1.000 10.40264 ? 17  CYS A SG   1 
ATOM   341  H  H    . CYS A 1 21  ? -12.05283 -10.27988 19.32177 1.000 10.00527 ? 17  CYS A H    1 
ATOM   342  H  HA   . CYS A 1 21  ? -13.57758 -8.05894  19.00143 1.000 8.79532  ? 17  CYS A HA   1 
ATOM   343  H  HB2  . CYS A 1 21  ? -10.96652 -8.51117  17.96964 1.000 8.96833  ? 17  CYS A HB2  1 
ATOM   344  H  HB3  . CYS A 1 21  ? -11.82567 -7.21863  17.62814 1.000 8.96833  ? 17  CYS A HB3  1 
ATOM   345  N  N    . HIS A 1 22  ? -13.61032 -10.49053 17.08025 1.000 8.54749  ? 18  HIS A N    1 
ATOM   346  C  CA   . HIS A 1 22  ? -13.97994 -11.04847 15.78761 1.000 7.28935  ? 18  HIS A CA   1 
ATOM   347  C  C    . HIS A 1 22  ? -14.87172 -12.27811 15.93471 1.000 8.35081  ? 18  HIS A C    1 
ATOM   348  O  O    . HIS A 1 22  ? -14.62174 -13.14531 16.77533 1.000 9.13979  ? 18  HIS A O    1 
ATOM   349  C  CB   . HIS A 1 22  ? -12.75694 -11.50896 15.00320 1.000 6.22624  ? 18  HIS A CB   1 
ATOM   350  C  CG   . HIS A 1 22  ? -11.85106 -10.41958 14.53264 1.000 7.58152  ? 18  HIS A CG   1 
ATOM   351  N  ND1  . HIS A 1 22  ? -12.15562 -9.60260  13.46806 1.000 8.87694  ? 18  HIS A ND1  1 
ATOM   352  C  CD2  . HIS A 1 22  ? -10.62316 -10.05434 14.95853 1.000 8.32285  ? 18  HIS A CD2  1 
ATOM   353  C  CE1  . HIS A 1 22  ? -11.14331 -8.77141  13.26840 1.000 7.68061  ? 18  HIS A CE1  1 
ATOM   354  N  NE2  . HIS A 1 22  ? -10.19943 -9.03286  14.15500 1.000 5.28757  ? 18  HIS A NE2  1 
ATOM   355  H  H    . HIS A 1 22  ? -13.44954 -11.08698 17.67858 1.000 10.28056 ? 18  HIS A H    1 
ATOM   356  H  HA   . HIS A 1 22  ? -14.46522 -10.35288 15.31692 1.000 8.77078  ? 18  HIS A HA   1 
ATOM   357  H  HB2  . HIS A 1 22  ? -12.23299 -12.09566 15.57080 1.000 7.49505  ? 18  HIS A HB2  1 
ATOM   358  H  HB3  . HIS A 1 22  ? -13.06105 -11.99124 14.21845 1.000 7.49505  ? 18  HIS A HB3  1 
ATOM   359  H  HD1  . HIS A 1 22  ? -12.88224 -9.62739  13.00870 1.000 10.67590 ? 18  HIS A HD1  1 
ATOM   360  H  HD2  . HIS A 1 22  ? -10.15235 -10.42867 15.66783 1.000 10.01099 ? 18  HIS A HD2  1 
ATOM   361  H  HE1  . HIS A 1 22  ? -11.10376 -8.11302  12.61276 1.000 9.24029  ? 18  HIS A HE1  1 
ATOM   362  N  N    . THR A 1 23  ? -15.85436 -12.37731 15.04628 1.000 8.02677  ? 19  THR A N    1 
ATOM   363  C  CA   . THR A 1 23  ? -16.58750 -13.60282 14.78542 1.000 7.95103  ? 19  THR A CA   1 
ATOM   364  C  C    . THR A 1 23  ? -16.18678 -14.14576 13.41692 1.000 9.11801  ? 19  THR A C    1 
ATOM   365  O  O    . THR A 1 23  ? -15.62312 -13.43465 12.58002 1.000 9.24534  ? 19  THR A O    1 
ATOM   366  C  CB   . THR A 1 23  ? -18.10443 -13.37962 14.83681 1.000 8.07401  ? 19  THR A CB   1 
ATOM   367  O  OG1  . THR A 1 23  ? -18.49659 -12.45206 13.82359 1.000 9.89678  ? 19  THR A OG1  1 
ATOM   368  C  CG2  . THR A 1 23  ? -18.51053 -12.85522 16.16386 1.000 10.70079 ? 19  THR A CG2  1 
ATOM   369  H  H    . THR A 1 23  ? -16.12200 -11.71717 14.56442 1.000 9.65569  ? 19  THR A H    1 
ATOM   370  H  HA   . THR A 1 23  ? -16.37024 -14.26014 15.46486 1.000 9.56481  ? 19  THR A HA   1 
ATOM   371  H  HB   . THR A 1 23  ? -18.55525 -14.22556 14.68830 1.000 9.71238  ? 19  THR A HB   1 
ATOM   372  H  HG1  . THR A 1 23  ? -18.07660 -11.73055 13.91647 1.000 11.89970 ? 19  THR A HG1  1 
ATOM   373  H  HG21 . THR A 1 23  ? -19.47617 -12.77433 16.20728 1.000 12.86451 ? 19  THR A HG21 1 
ATOM   374  H  HG22 . THR A 1 23  ? -18.21330 -13.45752 16.86371 1.000 12.86451 ? 19  THR A HG22 1 
ATOM   375  H  HG23 . THR A 1 23  ? -18.11455 -11.98202 16.31087 1.000 12.86451 ? 19  THR A HG23 1 
ATOM   376  N  N    . VAL A 1 24  ? -16.47213 -15.42554 13.20183 1.000 9.02316  ? 20  VAL A N    1 
ATOM   377  C  CA   . VAL A 1 24  ? -16.11107 -16.11387 11.97201 1.000 8.17294  ? 20  VAL A CA   1 
ATOM   378  C  C    . VAL A 1 24  ? -17.30672 -16.63239 11.18855 1.000 9.42799  ? 20  VAL A C    1 
ATOM   379  O  O    . VAL A 1 24  ? -17.14311 -16.88927 9.98197  1.000 11.07309 ? 20  VAL A O    1 
ATOM   380  C  CB   . VAL A 1 24  ? -15.15089 -17.28671 12.23740 1.000 8.99468  ? 20  VAL A CB   1 
ATOM   381  C  CG1  . VAL A 1 24  ? -13.78273 -16.81264 12.64881 1.000 13.30568 ? 20  VAL A CG1  1 
ATOM   382  C  CG2  . VAL A 1 24  ? -15.71451 -18.25543 13.25606 1.000 12.40558 ? 20  VAL A CG2  1 
ATOM   383  H  H    . VAL A 1 24  ? -16.88362 -15.92709 13.76639 1.000 10.85136 ? 20  VAL A H    1 
ATOM   384  H  HA   . VAL A 1 24  ? -15.65315 -15.46611 11.41379 1.000 9.83109  ? 20  VAL A HA   1 
ATOM   385  H  HB   . VAL A 1 24  ? -15.05173 -17.76659 11.40027 1.000 10.81718 ? 20  VAL A HB   1 
ATOM   386  H  HG11 . VAL A 1 24  ? -13.18516 -17.57527 12.69579 1.000 15.99038 ? 20  VAL A HG11 1 
ATOM   387  H  HG12 . VAL A 1 24  ? -13.45765 -16.17768 11.99151 1.000 15.99038 ? 20  VAL A HG12 1 
ATOM   388  H  HG13 . VAL A 1 24  ? -13.84429 -16.38660 13.51806 1.000 15.99038 ? 20  VAL A HG13 1 
ATOM   389  H  HG21 . VAL A 1 24  ? -15.09134 -18.98966 13.37215 1.000 14.91026 ? 20  VAL A HG21 1 
ATOM   390  H  HG22 . VAL A 1 24  ? -15.83900 -17.79091 14.09845 1.000 14.91026 ? 20  VAL A HG22 1 
ATOM   391  H  HG23 . VAL A 1 24  ? -16.56575 -18.59171 12.93481 1.000 14.91026 ? 20  VAL A HG23 1 
ATOM   392  N  N    . GLU A 1 25  ? -18.44826 -16.87846 11.81924 1.000 11.52430 ? 21  GLU A N    1 
ATOM   393  C  CA   . GLU A 1 25  ? -19.53390 -17.56848 11.13225 1.000 11.62215 ? 21  GLU A CA   1 
ATOM   394  C  C    . GLU A 1 25  ? -20.26703 -16.63680 10.17139 1.000 10.81848 ? 21  GLU A C    1 
ATOM   395  O  O    . GLU A 1 25  ? -20.24870 -15.41437 10.30880 1.000 12.91399 ? 21  GLU A O    1 
ATOM   396  C  CB   . GLU A 1 25  ? -20.49291 -18.17303 12.15471 1.000 16.59000 ? 21  GLU A CB   1 
ATOM   397  C  CG   . GLU A 1 25  ? -21.43458 -17.19726 12.81355 1.000 26.09539 ? 21  GLU A CG   1 
ATOM   398  C  CD   . GLU A 1 25  ? -20.84266 -16.49124 14.02635 1.000 32.85229 ? 21  GLU A CD   1 
ATOM   399  O  OE1  . GLU A 1 25  ? -19.59552 -16.52177 14.22480 1.000 23.18796 ? 21  GLU A OE1  1 
ATOM   400  O  OE2  . GLU A 1 25  ? -21.65361 -15.92033 14.79948 1.000 24.61900 ? 21  GLU A OE2  1 
ATOM   401  H  H    . GLU A 1 25  ? -18.61824 -16.65985 12.63343 1.000 13.85273 ? 21  GLU A H    1 
ATOM   402  H  HA   . GLU A 1 25  ? -19.17297 -18.29049 10.59435 1.000 13.97014 ? 21  GLU A HA   1 
ATOM   403  H  HB2  . GLU A 1 25  ? -21.03538 -18.84101 11.70701 1.000 19.93157 ? 21  GLU A HB2  1 
ATOM   404  H  HB3  . GLU A 1 25  ? -19.96847 -18.58806 12.85728 1.000 19.93157 ? 21  GLU A HB3  1 
ATOM   405  H  HG2  . GLU A 1 25  ? -21.68091 -16.51711 12.16732 1.000 31.33804 ? 21  GLU A HG2  1 
ATOM   406  H  HG3  . GLU A 1 25  ? -22.22465 -17.67690 13.10787 1.000 31.33804 ? 21  GLU A HG3  1 
ATOM   407  N  N    . ALA A 1 26  ? -20.93525 -17.23897 9.17994  1.000 11.34909 ? 22  ALA A N    1 
ATOM   408  C  CA   . ALA A 1 26  ? -21.81975 -16.49883 8.28793  1.000 11.88214 ? 22  ALA A CA   1 
ATOM   409  C  C    . ALA A 1 26  ? -22.88569 -15.77134 9.08173  1.000 12.05175 ? 22  ALA A C    1 
ATOM   410  O  O    . ALA A 1 26  ? -23.55131 -16.36142 9.93128  1.000 12.83971 ? 22  ALA A O    1 
ATOM   411  C  CB   . ALA A 1 26  ? -22.47965 -17.46434 7.29740  1.000 10.81985 ? 22  ALA A CB   1 
ATOM   412  H  H    . ALA A 1 26  ? -20.89133 -18.07972 9.00439  1.000 13.64247 ? 22  ALA A H    1 
ATOM   413  H  HA   . ALA A 1 26  ? -21.30330 -15.84393 7.79266  1.000 14.28213 ? 22  ALA A HA   1 
ATOM   414  H  HB1  . ALA A 1 26  ? -23.04865 -16.95935 6.69563  1.000 13.00739 ? 22  ALA A HB1  1 
ATOM   415  H  HB2  . ALA A 1 26  ? -21.78815 -17.92116 6.79339  1.000 13.00739 ? 22  ALA A HB2  1 
ATOM   416  H  HB3  . ALA A 1 26  ? -23.01008 -18.10934 7.79087  1.000 13.00739 ? 22  ALA A HB3  1 
ATOM   417  N  N    . GLY A 1 27  ? -23.05092 -14.48206 8.79878  1.000 13.48512 ? 23  GLY A N    1 
ATOM   418  C  CA   . GLY A 1 27  ? -23.98850 -13.67063 9.53886  1.000 17.21772 ? 23  GLY A CA   1 
ATOM   419  C  C    . GLY A 1 27  ? -23.54703 -13.29244 10.93026 1.000 12.38502 ? 23  GLY A C    1 
ATOM   420  O  O    . GLY A 1 27  ? -24.30533 -12.63048 11.63990 1.000 14.06746 ? 23  GLY A O    1 
ATOM   421  H  H    . GLY A 1 27  ? -22.62739 -14.06056 8.18026  1.000 16.20571 ? 23  GLY A H    1 
ATOM   422  H  HA2  . GLY A 1 27  ? -24.14460 -12.85008 9.04567  1.000 20.68482 ? 23  GLY A HA2  1 
ATOM   423  H  HA3  . GLY A 1 27  ? -24.82454 -14.15635 9.61646  1.000 20.68482 ? 23  GLY A HA3  1 
ATOM   424  N  N    . GLY A 1 28  ? -22.33775 -13.66872 11.33361 1.000 12.62135 ? 24  GLY A N    1 
ATOM   425  C  CA   . GLY A 1 28  ? -21.85282 -13.29355 12.64572 1.000 12.61736 ? 24  GLY A CA   1 
ATOM   426  C  C    . GLY A 1 28  ? -21.66426 -11.79412 12.75711 1.000 14.84044 ? 24  GLY A C    1 
ATOM   427  O  O    . GLY A 1 28  ? -21.42923 -11.09098 11.77542 1.000 13.84366 ? 24  GLY A O    1 
ATOM   428  H  H    . GLY A 1 28  ? -21.78530 -14.13698 10.86980 1.000 15.16918 ? 24  GLY A H    1 
ATOM   429  H  HA2  . GLY A 1 28  ? -22.48925 -13.57680 13.32072 1.000 15.16440 ? 24  GLY A HA2  1 
ATOM   430  H  HA3  . GLY A 1 28  ? -21.00104 -13.72626 12.81343 1.000 15.16440 ? 24  GLY A HA3  1 
ATOM   431  N  N    . LYS A 1 29  ? -21.78926 -11.29556 13.98216 1.000 12.22799 ? 25  LYS A N    1 
ATOM   432  C  CA   . LYS A 1 29  ? -21.76880 -9.86297  14.19633 1.000 11.66759 ? 25  LYS A CA   1 
ATOM   433  C  C    . LYS A 1 29  ? -20.35828 -9.29842  14.12665 1.000 9.72827  ? 25  LYS A C    1 
ATOM   434  O  O    . LYS A 1 29  ? -19.36407 -9.98125  14.42389 1.000 11.49398 ? 25  LYS A O    1 
ATOM   435  C  CB   . LYS A 1 29  ? -22.34311 -9.52542  15.56371 1.000 13.06726 ? 25  LYS A CB   1 
ATOM   436  C  CG   . LYS A 1 29  ? -21.53845 -9.98493  16.71545 1.000 17.34556 ? 25  LYS A CG   1 
ATOM   437  C  CD   . LYS A 1 29  ? -22.28717 -9.72428  18.03471 1.000 27.32504 ? 25  LYS A CD   1 
ATOM   438  C  CE   . LYS A 1 29  ? -21.56873 -10.34116 19.21974 1.000 36.64153 ? 25  LYS A CE   1 
ATOM   439  N  NZ   . LYS A 1 29  ? -22.29313 -10.10570 20.50153 1.000 49.57836 ? 25  LYS A NZ   1 
ATOM   440  H  H    . LYS A 1 29  ? -21.88603 -11.76460 14.69648 1.000 14.69715 ? 25  LYS A H    1 
ATOM   441  H  HA   . LYS A 1 29  ? -22.30195 -9.44769  13.50049 1.000 14.02467 ? 25  LYS A HA   1 
ATOM   442  H  HB2  . LYS A 1 29  ? -22.42351 -8.56121  15.63247 1.000 15.70428 ? 25  LYS A HB2  1 
ATOM   443  H  HB3  . LYS A 1 29  ? -23.21806 -9.93746  15.63849 1.000 15.70428 ? 25  LYS A HB3  1 
ATOM   444  H  HG2  . LYS A 1 29  ? -21.37302 -10.93750 16.63703 1.000 20.83824 ? 25  LYS A HG2  1 
ATOM   445  H  HG3  . LYS A 1 29  ? -20.69705 -9.50277  16.73719 1.000 20.83824 ? 25  LYS A HG3  1 
ATOM   446  H  HD2  . LYS A 1 29  ? -22.35182 -8.76784  18.18285 1.000 32.81361 ? 25  LYS A HD2  1 
ATOM   447  H  HD3  . LYS A 1 29  ? -23.17451 -10.11250 17.98163 1.000 32.81361 ? 25  LYS A HD3  1 
ATOM   448  H  HE2  . LYS A 1 29  ? -21.49634 -11.29903 19.08503 1.000 43.99340 ? 25  LYS A HE2  1 
ATOM   449  H  HE3  . LYS A 1 29  ? -20.68476 -9.94908  19.29572 1.000 43.99340 ? 25  LYS A HE3  1 
ATOM   450  H  HZ1  . LYS A 1 29  ? -21.80401 -10.39715 21.18558 1.000 59.51760 ? 25  LYS A HZ1  1 
ATOM   451  H  HZ2  . LYS A 1 29  ? -22.44900 -9.23592  20.60776 1.000 59.51760 ? 25  LYS A HZ2  1 
ATOM   452  H  HZ3  . LYS A 1 29  ? -23.07005 -10.53984 20.49629 1.000 59.51760 ? 25  LYS A HZ3  1 
ATOM   453  N  N    . HIS A 1 30  ? -20.28491 -8.05719  13.67618 1.000 11.03577 ? 26  HIS A N    1 
ATOM   454  C  CA   . HIS A 1 30  ? -19.12914 -7.21886  13.93699 1.000 10.43730 ? 26  HIS A CA   1 
ATOM   455  C  C    . HIS A 1 30  ? -19.02611 -6.93566  15.42085 1.000 11.18981 ? 26  HIS A C    1 
ATOM   456  O  O    . HIS A 1 30  ? -20.02955 -6.75515  16.10973 1.000 13.27692 ? 26  HIS A O    1 
ATOM   457  C  CB   . HIS A 1 30  ? -19.26367 -5.89872  13.19002 1.000 13.43667 ? 26  HIS A CB   1 
ATOM   458  C  CG   . HIS A 1 30  ? -19.43366 -6.06768  11.71993 1.000 10.56251 ? 26  HIS A CG   1 
ATOM   459  N  ND1  . HIS A 1 30  ? -18.71286 -6.99256  10.99894 1.000 12.06157 ? 26  HIS A ND1  1 
ATOM   460  C  CD2  . HIS A 1 30  ? -20.25438 -5.45195  10.83743 1.000 13.41352 ? 26  HIS A CD2  1 
ATOM   461  C  CE1  . HIS A 1 30  ? -19.08088 -6.93830  9.72884  1.000 12.07546 ? 26  HIS A CE1  1 
ATOM   462  N  NE2  . HIS A 1 30  ? -20.01428 -6.00492  9.60115  1.000 11.69748 ? 26  HIS A NE2  1 
ATOM   463  H  H    . HIS A 1 30  ? -20.89689 -7.67077  13.21166 1.000 13.26650 ? 26  HIS A H    1 
ATOM   464  H  HA   . HIS A 1 30  ? -18.32426 -7.66952  13.63703 1.000 12.54833 ? 26  HIS A HA   1 
ATOM   465  H  HB2  . HIS A 1 30  ? -20.04027 -5.42535  13.52725 1.000 16.14757 ? 26  HIS A HB2  1 
ATOM   466  H  HB3  . HIS A 1 30  ? -18.46326 -5.37133  13.33869 1.000 16.14757 ? 26  HIS A HB3  1 
ATOM   467  H  HD2  . HIS A 1 30  ? -20.86708 -4.77962  11.03099 1.000 16.11978 ? 26  HIS A HD2  1 
ATOM   468  H  HE1  . HIS A 1 30  ? -18.74211 -7.46570  9.04183  1.000 14.51411 ? 26  HIS A HE1  1 
ATOM   469  H  HE2  . HIS A 1 30  ? -20.40438 -5.78250  8.86770  1.000 14.06054 ? 26  HIS A HE2  1 
ATOM   470  N  N    . LYS A 1 31  ? -17.79104 -6.93722  15.91391 1.000 9.98366  ? 27  LYS A N    1 
ATOM   471  C  CA   . LYS A 1 31  ? -17.49442 -6.45936  17.25521 1.000 11.37094 ? 27  LYS A CA   1 
ATOM   472  C  C    . LYS A 1 31  ? -16.60785 -5.21818  17.12442 1.000 10.90324 ? 27  LYS A C    1 
ATOM   473  O  O    . LYS A 1 31  ? -16.83939 -4.38021  16.24471 1.000 13.87123 ? 27  LYS A O    1 
ATOM   474  C  CB   . LYS A 1 31  ? -16.87642 -7.59711  18.08487 1.000 13.21577 ? 27  LYS A CB   1 
ATOM   475  C  CG   . LYS A 1 31  ? -17.80223 -8.85778  18.17578 1.000 15.60749 ? 27  LYS A CG   1 
ATOM   476  C  CD   . LYS A 1 31  ? -17.15830 -10.05525 18.85410 1.000 18.85842 ? 27  LYS A CD   1 
ATOM   477  C  CE   . LYS A 1 31  ? -17.22311 -10.02309 20.35171 1.000 23.24660 ? 27  LYS A CE   1 
ATOM   478  N  NZ   . LYS A 1 31  ? -16.77227 -11.36352 20.84176 1.000 18.12611 ? 27  LYS A NZ   1 
ATOM   479  H  H    . LYS A 1 31  ? -17.09949 -7.21411  15.48416 1.000 12.00396 ? 27  LYS A H    1 
ATOM   480  H  HA   . LYS A 1 31  ? -18.28666 -6.19424  17.74812 1.000 13.66870 ? 27  LYS A HA   1 
ATOM   481  H  HB2  . LYS A 1 31  ? -16.04036 -7.86814  17.67446 1.000 15.88249 ? 27  LYS A HB2  1 
ATOM   482  H  HB3  . LYS A 1 31  ? -16.71523 -7.27791  18.98655 1.000 15.88249 ? 27  LYS A HB3  1 
ATOM   483  H  HG2  . LYS A 1 31  ? -18.59578 -8.62500  18.68274 1.000 18.75255 ? 27  LYS A HG2  1 
ATOM   484  H  HG3  . LYS A 1 31  ? -18.04968 -9.12738  17.27746 1.000 18.75255 ? 27  LYS A HG3  1 
ATOM   485  H  HD2  . LYS A 1 31  ? -17.61097 -10.86054 18.55831 1.000 22.65366 ? 27  LYS A HD2  1 
ATOM   486  H  HD3  . LYS A 1 31  ? -16.22229 -10.08913 18.60183 1.000 22.65366 ? 27  LYS A HD3  1 
ATOM   487  H  HE2  . LYS A 1 31  ? -16.63334 -9.33646  20.70044 1.000 27.91948 ? 27  LYS A HE2  1 
ATOM   488  H  HE3  . LYS A 1 31  ? -18.13269 -9.86036  20.64681 1.000 27.91948 ? 27  LYS A HE3  1 
ATOM   489  H  HZ1  . LYS A 1 31  ? -16.72551 -11.36276 21.73053 1.000 21.77489 ? 27  LYS A HZ1  1 
ATOM   490  H  HZ2  . LYS A 1 31  ? -17.34765 -11.99141 20.58333 1.000 21.77489 ? 27  LYS A HZ2  1 
ATOM   491  H  HZ3  . LYS A 1 31  ? -15.96856 -11.55423 20.51040 1.000 21.77489 ? 27  LYS A HZ3  1 
ATOM   492  N  N    . VAL A 1 32  ? -15.58124 -5.07056  17.96539 1.000 10.38559 ? 28  VAL A N    1 
ATOM   493  C  CA   . VAL A 1 32  ? -14.57257 -4.04391  17.68348 1.000 12.32614 ? 28  VAL A CA   1 
ATOM   494  C  C    . VAL A 1 32  ? -13.98089 -4.26575  16.28958 1.000 8.79961  ? 28  VAL A C    1 
ATOM   495  O  O    . VAL A 1 32  ? -13.73022 -3.30922  15.53817 1.000 12.01216 ? 28  VAL A O    1 
ATOM   496  C  CB   . VAL A 1 32  ? -13.52223 -3.98870  18.81291 1.000 11.15455 ? 28  VAL A CB   1 
ATOM   497  C  CG1  . VAL A 1 32  ? -12.30060 -3.17371  18.37227 1.000 16.06198 ? 28  VAL A CG1  1 
ATOM   498  C  CG2  . VAL A 1 32  ? -14.13479 -3.33450  20.04202 1.000 17.54763 ? 28  VAL A CG2  1 
ATOM   499  H  H    . VAL A 1 32  ? -15.44780 -5.53194  18.67878 1.000 12.48627 ? 28  VAL A H    1 
ATOM   500  H  HA   . VAL A 1 32  ? -14.99186 -3.16929  17.67168 1.000 14.81493 ? 28  VAL A HA   1 
ATOM   501  H  HB   . VAL A 1 32  ? -13.23815 -4.89186  19.02386 1.000 13.40902 ? 28  VAL A HB   1 
ATOM   502  H  HG11 . VAL A 1 32  ? -11.77843 -2.93896  19.15529 1.000 19.29795 ? 28  VAL A HG11 1 
ATOM   503  H  HG12 . VAL A 1 32  ? -11.76537 -3.70955  17.76622 1.000 19.29795 ? 28  VAL A HG12 1 
ATOM   504  H  HG13 . VAL A 1 32  ? -12.60315 -2.36901  17.92302 1.000 19.29795 ? 28  VAL A HG13 1 
ATOM   505  H  HG21 . VAL A 1 32  ? -13.55213 -3.48422  20.80294 1.000 21.08073 ? 28  VAL A HG21 1 
ATOM   506  H  HG22 . VAL A 1 32  ? -14.22871 -2.38283  19.87953 1.000 21.08073 ? 28  VAL A HG22 1 
ATOM   507  H  HG23 . VAL A 1 32  ? -15.00505 -3.72901  20.20912 1.000 21.08073 ? 28  VAL A HG23 1 
ATOM   508  N  N    . GLY A 1 33  ? -13.81596 -5.52517  15.89697 1.000 10.00877 ? 29  GLY A N    1 
ATOM   509  C  CA   . GLY A 1 33  ? -13.35447 -5.86431  14.56795 1.000 9.26377  ? 29  GLY A CA   1 
ATOM   510  C  C    . GLY A 1 33  ? -14.43211 -6.49119  13.70381 1.000 8.66059  ? 29  GLY A C    1 
ATOM   511  O  O    . GLY A 1 33  ? -15.48806 -6.93447  14.18717 1.000 8.73765  ? 29  GLY A O    1 
ATOM   512  H  H    . GLY A 1 33  ? -13.96900 -6.20914  16.39533 1.000 12.03410 ? 29  GLY A H    1 
ATOM   513  H  HA2  . GLY A 1 33  ? -13.04167 -5.06002  14.12502 1.000 11.14009 ? 29  GLY A HA2  1 
ATOM   514  H  HA3  . GLY A 1 33  ? -12.61901 -6.49294  14.63743 1.000 11.14009 ? 29  GLY A HA3  1 
ATOM   515  N  N    . PRO A 1 34  ? -14.14703 -6.60927  12.40150 1.000 10.08912 ? 30  PRO A N    1 
ATOM   516  C  CA   . PRO A 1 34  ? -15.14779 -7.13613  11.47412 1.000 6.92387  ? 30  PRO A CA   1 
ATOM   517  C  C    . PRO A 1 34  ? -15.33746 -8.63525  11.59042 1.000 7.80697  ? 30  PRO A C    1 
ATOM   518  O  O    . PRO A 1 34  ? -14.40593 -9.39993  11.88340 1.000 8.93024  ? 30  PRO A O    1 
ATOM   519  C  CB   . PRO A 1 34  ? -14.57293 -6.78235  10.09332 1.000 10.02061 ? 30  PRO A CB   1 
ATOM   520  C  CG   . PRO A 1 34  ? -13.06258 -6.71684  10.31595 1.000 12.96268 ? 30  PRO A CG   1 
ATOM   521  C  CD   . PRO A 1 34  ? -12.94984 -6.08594  11.70697 1.000 9.61879  ? 30  PRO A CD   1 
ATOM   522  H  HA   . PRO A 1 34  ? -15.99614 -6.69074  11.62523 1.000 8.33221  ? 30  PRO A HA   1 
ATOM   523  H  HB2  . PRO A 1 34  ? -14.80176 -7.47234  9.45109  1.000 12.04830 ? 30  PRO A HB2  1 
ATOM   524  H  HB3  . PRO A 1 34  ? -14.91997 -5.92604  9.79805  1.000 12.04830 ? 30  PRO A HB3  1 
ATOM   525  H  HG2  . PRO A 1 34  ? -12.67822 -7.60727  10.29846 1.000 15.57879 ? 30  PRO A HG2  1 
ATOM   526  H  HG3  . PRO A 1 34  ? -12.64386 -6.16141  9.63989  1.000 15.57879 ? 30  PRO A HG3  1 
ATOM   527  H  HD2  . PRO A 1 34  ? -12.13715 -6.37151  12.15293 1.000 11.56612 ? 30  PRO A HD2  1 
ATOM   528  H  HD3  . PRO A 1 34  ? -12.97562 -5.11782  11.65227 1.000 11.56612 ? 30  PRO A HD3  1 
ATOM   529  N  N    . ASN A 1 35  ? -16.56706 -9.05178  11.31667 1.000 8.99740  ? 31  ASN A N    1 
ATOM   530  C  CA   . ASN A 1 35  ? -16.81637 -10.46504 11.07571 1.000 8.84602  ? 31  ASN A CA   1 
ATOM   531  C  C    . ASN A 1 35  ? -15.93121 -10.96420 9.92644  1.000 10.04933 ? 31  ASN A C    1 
ATOM   532  O  O    . ASN A 1 35  ? -15.69595 -10.25844 8.93064  1.000 9.98185  ? 31  ASN A O    1 
ATOM   533  C  CB   . ASN A 1 35  ? -18.28804 -10.67163 10.72582 1.000 11.30565 ? 31  ASN A CB   1 
ATOM   534  C  CG   . ASN A 1 35  ? -18.56156 -12.06543 10.16749 1.000 9.94457  ? 31  ASN A CG   1 
ATOM   535  O  OD1  . ASN A 1 35  ? -18.62469 -12.27872 8.92932  1.000 11.16303 ? 31  ASN A OD1  1 
ATOM   536  N  ND2  . ASN A 1 35  ? -18.75737 -13.00899 11.06063 1.000 10.03855 ? 31  ASN A ND2  1 
ATOM   537  H  H    . ASN A 1 35  ? -17.26182 -8.54753  11.26523 1.000 10.82045 ? 31  ASN A H    1 
ATOM   538  H  HA   . ASN A 1 35  ? -16.61128 -10.98022 11.87159 1.000 10.63879 ? 31  ASN A HA   1 
ATOM   539  H  HB2  . ASN A 1 35  ? -18.82401 -10.55668 11.52608 1.000 13.59034 ? 31  ASN A HB2  1 
ATOM   540  H  HB3  . ASN A 1 35  ? -18.54945 -10.02136 10.05521 1.000 13.59034 ? 31  ASN A HB3  1 
ATOM   541  H  HD21 . ASN A 1 35  ? -18.91615 -13.81516 10.80670 1.000 12.06983 ? 31  ASN A HD21 1 
ATOM   542  H  HD22 . ASN A 1 35  ? -18.72676 -12.82042 11.89914 1.000 12.06983 ? 31  ASN A HD22 1 
ATOM   543  N  N    . LEU A 1 36  ? -15.43591 -12.18924 10.05437 1.000 9.19228  ? 32  LEU A N    1 
ATOM   544  C  CA   . LEU A 1 36  ? -14.44138 -12.72485 9.13776  1.000 11.45133 ? 32  LEU A CA   1 
ATOM   545  C  C    . LEU A 1 36  ? -14.99065 -13.77385 8.17899  1.000 9.06904  ? 32  LEU A C    1 
ATOM   546  O  O    . LEU A 1 36  ? -14.20728 -14.45044 7.51587  1.000 10.54927 ? 32  LEU A O    1 
ATOM   547  C  CB   . LEU A 1 36  ? -13.26198 -13.28753 9.92664  1.000 8.46531  ? 32  LEU A CB   1 
ATOM   548  C  CG   . LEU A 1 36  ? -12.55711 -12.29431 10.85260 1.000 8.52155  ? 32  LEU A CG   1 
ATOM   549  C  CD1  . LEU A 1 36  ? -11.52764 -13.05808 11.63578 1.000 9.34025  ? 32  LEU A CD1  1 
ATOM   550  C  CD2  . LEU A 1 36  ? -11.87156 -11.18690 10.08768 1.000 9.73814  ? 32  LEU A CD2  1 
ATOM   551  H  H    . LEU A 1 36  ? -15.66612 -12.73693 10.67617 1.000 11.05431 ? 32  LEU A H    1 
ATOM   552  H  HA   . LEU A 1 36  ? -14.11918 -11.99471 8.58641  1.000 13.76516 ? 32  LEU A HA   1 
ATOM   553  H  HB2  . LEU A 1 36  ? -13.58455 -14.01806 10.47725 1.000 10.18194 ? 32  LEU A HB2  1 
ATOM   554  H  HB3  . LEU A 1 36  ? -12.60156 -13.61416 9.29572  1.000 10.18194 ? 32  LEU A HB3  1 
ATOM   555  H  HG   . LEU A 1 36  ? -13.21213 -11.87524 11.43244 1.000 10.24943 ? 32  LEU A HG   1 
ATOM   556  H  HD11 . LEU A 1 36  ? -11.07185 -12.44839 12.23697 1.000 11.23186 ? 32  LEU A HD11 1 
ATOM   557  H  HD12 . LEU A 1 36  ? -11.97090 -13.75480 12.14471 1.000 11.23186 ? 32  LEU A HD12 1 
ATOM   558  H  HD13 . LEU A 1 36  ? -10.89089 -13.45277 11.01961 1.000 11.23186 ? 32  LEU A HD13 1 
ATOM   559  H  HD21 . LEU A 1 36  ? -11.18913 -10.78954 10.65097 1.000 11.70934 ? 32  LEU A HD21 1 
ATOM   560  H  HD22 . LEU A 1 36  ? -11.46584 -11.55898 9.28902  1.000 11.70934 ? 32  LEU A HD22 1 
ATOM   561  H  HD23 . LEU A 1 36  ? -12.52970 -10.51757 9.84325  1.000 11.70934 ? 32  LEU A HD23 1 
ATOM   562  N  N    . HIS A 1 37  ? -16.29955 -13.96257 8.09668  1.000 9.21385  ? 33  HIS A N    1 
ATOM   563  C  CA   . HIS A 1 37  ? -16.81332 -14.95045 7.16779  1.000 9.65081  ? 33  HIS A CA   1 
ATOM   564  C  C    . HIS A 1 37  ? -16.40862 -14.57046 5.75171  1.000 9.45516  ? 33  HIS A C    1 
ATOM   565  O  O    . HIS A 1 37  ? -16.54991 -13.41665 5.35080  1.000 11.87175 ? 33  HIS A O    1 
ATOM   566  C  CB   . HIS A 1 37  ? -18.34150 -14.98116 7.23638  1.000 11.66706 ? 33  HIS A CB   1 
ATOM   567  C  CG   . HIS A 1 37  ? -18.95793 -15.92455 6.24882  1.000 14.36362 ? 33  HIS A CG   1 
ATOM   568  N  ND1  . HIS A 1 37  ? -18.82934 -17.29070 6.34754  1.000 17.24912 ? 33  HIS A ND1  1 
ATOM   569  C  CD2  . HIS A 1 37  ? -19.62501 -15.68520 5.09643  1.000 14.33775 ? 33  HIS A CD2  1 
ATOM   570  C  CE1  . HIS A 1 37  ? -19.42702 -17.85832 5.31443  1.000 14.70120 ? 33  HIS A CE1  1 
ATOM   571  N  NE2  . HIS A 1 37  ? -19.92571 -16.90820 4.54500  1.000 17.61570 ? 33  HIS A NE2  1 
ATOM   572  H  H    . HIS A 1 37  ? -16.89464 -13.54341 8.55469  1.000 11.08019 ? 33  HIS A H    1 
ATOM   573  H  HA   . HIS A 1 37  ? -16.46234 -15.82604 7.39374  1.000 11.60454 ? 33  HIS A HA   1 
ATOM   574  H  HB2  . HIS A 1 37  ? -18.61038 -15.26184 8.12510  1.000 14.02404 ? 33  HIS A HB2  1 
ATOM   575  H  HB3  . HIS A 1 37  ? -18.68205 -14.09179 7.05213  1.000 14.02404 ? 33  HIS A HB3  1 
ATOM   576  H  HD1  . HIS A 1 37  ? -18.42449 -17.70879 6.98070  1.000 20.72251 ? 33  HIS A HD1  1 
ATOM   577  H  HD2  . HIS A 1 37  ? -19.83944 -14.85165 4.74415  1.000 17.22887 ? 33  HIS A HD2  1 
ATOM   578  H  HE1  . HIS A 1 37  ? -19.48634 -18.77282 5.15608  1.000 17.66501 ? 33  HIS A HE1  1 
ATOM   579  H  HE2  . HIS A 1 37  ? -20.36675 -17.03389 3.81748  1.000 21.16241 ? 33  HIS A HE2  1 
ATOM   580  N  N    . GLY A 1 38  ? -15.97391 -15.56088 4.97079  1.000 8.91516  ? 34  GLY A N    1 
ATOM   581  C  CA   . GLY A 1 38  ? -15.53999 -15.29022 3.60761  1.000 11.21145 ? 34  GLY A CA   1 
ATOM   582  C  C    . GLY A 1 38  ? -14.17218 -14.65464 3.50276  1.000 11.86439 ? 34  GLY A C    1 
ATOM   583  O  O    . GLY A 1 38  ? -13.79593 -14.17681 2.42481  1.000 14.81967 ? 34  GLY A O    1 
ATOM   584  H  H    . GLY A 1 38  ? -15.92215 -16.38652 5.20582  1.000 10.72176 ? 34  GLY A H    1 
ATOM   585  H  HA2  . GLY A 1 38  ? -15.51896 -16.12538 3.11469  1.000 13.47731 ? 34  GLY A HA2  1 
ATOM   586  H  HA3  . GLY A 1 38  ? -16.17908 -14.69249 3.18906  1.000 13.47731 ? 34  GLY A HA3  1 
ATOM   587  N  N    . LEU A 1 39  ? -13.37881 -14.68034 4.57619  1.000 10.20614 ? 35  LEU A N    1 
ATOM   588  C  CA   . LEU A 1 39  ? -12.10385 -13.96523 4.61461  1.000 10.66588 ? 35  LEU A CA   1 
ATOM   589  C  C    . LEU A 1 39  ? -11.14986 -14.39581 3.49719  1.000 12.60772 ? 35  LEU A C    1 
ATOM   590  O  O    . LEU A 1 39  ? -10.46500 -13.55674 2.89145  1.000 11.10621 ? 35  LEU A O    1 
ATOM   591  C  CB   . LEU A 1 39  ? -11.47149 -14.25269 5.97773  1.000 10.09146 ? 35  LEU A CB   1 
ATOM   592  C  CG   . LEU A 1 39  ? -10.08586 -13.68292 6.24069  1.000 9.78703  ? 35  LEU A CG   1 
ATOM   593  C  CD1  . LEU A 1 39  ? -10.15742 -12.20259 6.19688  1.000 9.80165  ? 35  LEU A CD1  1 
ATOM   594  C  CD2  . LEU A 1 39  ? -9.56452  -14.20536 7.56032  1.000 11.65903 ? 35  LEU A CD2  1 
ATOM   595  H  H    . LEU A 1 39  ? -13.55495 -15.10696 5.30184  1.000 12.27094 ? 35  LEU A H    1 
ATOM   596  H  HA   . LEU A 1 39  ? -12.25911 -13.01547 4.49321  1.000 12.82262 ? 35  LEU A HA   1 
ATOM   597  H  HB2  . LEU A 1 39  ? -12.05852 -13.89038 6.65966  1.000 12.13332 ? 35  LEU A HB2  1 
ATOM   598  H  HB3  . LEU A 1 39  ? -11.40300 -15.21525 6.07618  1.000 12.13332 ? 35  LEU A HB3  1 
ATOM   599  H  HG   . LEU A 1 39  ? -9.45214  -13.96182 5.56134  1.000 11.76800 ? 35  LEU A HG   1 
ATOM   600  H  HD11 . LEU A 1 39  ? -9.33523  -11.83585 6.55800  1.000 11.78555 ? 35  LEU A HD11 1 
ATOM   601  H  HD12 . LEU A 1 39  ? -10.26974 -11.91896 5.27609  1.000 11.78555 ? 35  LEU A HD12 1 
ATOM   602  H  HD13 . LEU A 1 39  ? -10.91300 -11.90707 6.72853  1.000 11.78555 ? 35  LEU A HD13 1 
ATOM   603  H  HD21 . LEU A 1 39  ? -8.70044  -13.80293 7.74011  1.000 14.01440 ? 35  LEU A HD21 1 
ATOM   604  H  HD22 . LEU A 1 39  ? -10.19119 -13.97084 8.26258  1.000 14.01440 ? 35  LEU A HD22 1 
ATOM   605  H  HD23 . LEU A 1 39  ? -9.47525  -15.16967 7.50512  1.000 14.01440 ? 35  LEU A HD23 1 
ATOM   606  N  N    . PHE A 1 40  ? -11.04100 -15.68948 3.25221  1.000 9.69430  ? 36  PHE A N    1 
ATOM   607  C  CA   . PHE A 1 40  ? -10.05316 -16.17306 2.29950  1.000 9.08960  ? 36  PHE A CA   1 
ATOM   608  C  C    . PHE A 1 40  ? -10.49342 -15.85552 0.88400  1.000 10.89740 ? 36  PHE A C    1 
ATOM   609  O  O    . PHE A 1 40  ? -11.57032 -16.27131 0.43841  1.000 13.35031 ? 36  PHE A O    1 
ATOM   610  C  CB   . PHE A 1 40  ? -9.77509  -17.65502 2.50488  1.000 11.78042 ? 36  PHE A CB   1 
ATOM   611  C  CG   . PHE A 1 40  ? -8.92006  -17.93269 3.72187  1.000 10.25517 ? 36  PHE A CG   1 
ATOM   612  C  CD1  . PHE A 1 40  ? -9.46046  -17.82436 4.98416  1.000 13.16518 ? 36  PHE A CD1  1 
ATOM   613  C  CD2  . PHE A 1 40  ? -7.56791  -18.28876 3.59534  1.000 11.21206 ? 36  PHE A CD2  1 
ATOM   614  C  CE1  . PHE A 1 40  ? -8.68635  -18.05925 6.10882  1.000 12.31745 ? 36  PHE A CE1  1 
ATOM   615  C  CE2  . PHE A 1 40  ? -6.80527  -18.51762 4.71866  1.000 10.34923 ? 36  PHE A CE2  1 
ATOM   616  C  CZ   . PHE A 1 40  ? -7.36258  -18.40385 5.97252  1.000 10.56144 ? 36  PHE A CZ   1 
ATOM   617  H  H    . PHE A 1 40  ? -11.51987 -16.30284 3.61837  1.000 11.65673 ? 36  PHE A H    1 
ATOM   618  H  HA   . PHE A 1 40  ? -9.21221  -15.71333 2.44899  1.000 10.93109 ? 36  PHE A HA   1 
ATOM   619  H  HB2  . PHE A 1 40  ? -10.61830 -18.12074 2.61892  1.000 14.16007 ? 36  PHE A HB2  1 
ATOM   620  H  HB3  . PHE A 1 40  ? -9.30887  -17.99868 1.72679  1.000 14.16007 ? 36  PHE A HB3  1 
ATOM   621  H  HD1  . PHE A 1 40  ? -10.35527 -17.59084 5.08260  1.000 15.82178 ? 36  PHE A HD1  1 
ATOM   622  H  HD2  . PHE A 1 40  ? -7.18655  -18.37020 2.75105  1.000 13.47803 ? 36  PHE A HD2  1 
ATOM   623  H  HE1  . PHE A 1 40  ? -9.06230  -17.98379 6.95609  1.000 14.80451 ? 36  PHE A HE1  1 
ATOM   624  H  HE2  . PHE A 1 40  ? -5.90920  -18.75021 4.63001  1.000 12.44264 ? 36  PHE A HE2  1 
ATOM   625  H  HZ   . PHE A 1 40  ? -6.84304  -18.56027 6.72784  1.000 12.69729 ? 36  PHE A HZ   1 
ATOM   626  N  N    . GLY A 1 41  ? -9.66879  -15.10089 0.18841  1.000 10.22177 ? 37  GLY A N    1 
ATOM   627  C  CA   . GLY A 1 41  ? -10.04130 -14.56218 -1.10876 1.000 10.62617 ? 37  GLY A CA   1 
ATOM   628  C  C    . GLY A 1 41  ? -10.73084 -13.21445 -1.05270 1.000 14.01147 ? 37  GLY A C    1 
ATOM   629  O  O    . GLY A 1 41  ? -11.15191 -12.70931 -2.09998 1.000 19.88963 ? 37  GLY A O    1 
ATOM   630  H  H    . GLY A 1 41  ? -8.87807  -14.88218 0.44634  1.000 12.28969 ? 37  GLY A H    1 
ATOM   631  H  HA2  . GLY A 1 41  ? -9.24092  -14.46493 -1.64804 1.000 12.77497 ? 37  GLY A HA2  1 
ATOM   632  H  HA3  . GLY A 1 41  ? -10.64223 -15.18616 -1.54514 1.000 12.77497 ? 37  GLY A HA3  1 
ATOM   633  N  N    . ARG A 1 42  ? -10.91279 -12.65464 0.13424  1.000 14.70816 ? 38  ARG A N    1 
ATOM   634  C  CA   . ARG A 1 42  ? -11.54592 -11.35286 0.32717  1.000 15.50755 ? 38  ARG A CA   1 
ATOM   635  C  C    . ARG A 1 42  ? -10.45064 -10.29185 0.31524  1.000 12.04365 ? 38  ARG A C    1 
ATOM   636  O  O    . ARG A 1 42  ? -9.44626  -10.44414 1.00623  1.000 11.19629 ? 38  ARG A O    1 
ATOM   637  C  CB   . ARG A 1 42  ? -12.23367 -11.35470 1.69776  1.000 20.87741 ? 38  ARG A CB   1 
ATOM   638  C  CG   . ARG A 1 42  ? -13.38223 -10.36412 1.90329  1.000 30.52340 ? 38  ARG A CG   1 
ATOM   639  C  CD   . ARG A 1 42  ? -14.18385 -10.68516 3.18890  1.000 17.81458 ? 38  ARG A CD   1 
ATOM   640  N  NE   . ARG A 1 42  ? -13.58845 -10.14603 4.42091  1.000 17.55814 ? 38  ARG A NE   1 
ATOM   641  C  CZ   . ARG A 1 42  ? -14.12487 -10.25982 5.64023  1.000 14.32413 ? 38  ARG A CZ   1 
ATOM   642  N  NH1  . ARG A 1 42  ? -15.25548 -10.93351 5.80684  1.000 18.38088 ? 38  ARG A NH1  1 
ATOM   643  N  NH2  . ARG A 1 42  ? -13.53772 -9.68943  6.70363  1.000 14.30751 ? 38  ARG A NH2  1 
ATOM   644  H  H    . ARG A 1 42  ? -10.66957 -13.02132 0.87316  1.000 17.67336 ? 38  ARG A H    1 
ATOM   645  H  HA   . ARG A 1 42  ? -12.19328 -11.15896 -0.36869 1.000 18.63263 ? 38  ARG A HA   1 
ATOM   646  H  HB2  . ARG A 1 42  ? -12.59622 -12.24163 1.84882  1.000 25.07646 ? 38  ARG A HB2  1 
ATOM   647  H  HB3  . ARG A 1 42  ? -11.56317 -11.15168 2.36866  1.000 25.07646 ? 38  ARG A HB3  1 
ATOM   648  H  HG2  . ARG A 1 42  ? -13.02241 -9.46696  1.98421  1.000 36.65164 ? 38  ARG A HG2  1 
ATOM   649  H  HG3  . ARG A 1 42  ? -13.98727 -10.41190 1.14662  1.000 36.65164 ? 38  ARG A HG3  1 
ATOM   650  H  HD2  . ARG A 1 42  ? -15.07320 -10.30757 3.10297  1.000 21.40106 ? 38  ARG A HD2  1 
ATOM   651  H  HD3  . ARG A 1 42  ? -14.24051 -11.64848 3.28733  1.000 21.40106 ? 38  ARG A HD3  1 
ATOM   652  H  HE   . ARG A 1 42  ? -12.84062 -9.72698  4.35196  1.000 21.09333 ? 38  ARG A HE   1 
ATOM   653  H  HH11 . ARG A 1 42  ? -15.59759 -11.01195 6.59195  1.000 22.08062 ? 38  ARG A HH11 1 
ATOM   654  N  N    . LYS A 1 43  ? -10.62266 -9.23238  -0.47219 1.000 10.99684 ? 39  LYS A N    1 
ATOM   655  C  CA   . LYS A 1 43  ? -9.71970  -8.08640  -0.35926 1.000 11.58166 ? 39  LYS A CA   1 
ATOM   656  C  C    . LYS A 1 43  ? -9.96677  -7.39409  0.97749  1.000 11.25495 ? 39  LYS A C    1 
ATOM   657  O  O    . LYS A 1 43  ? -10.99058 -7.61108  1.61439  1.000 13.34032 ? 39  LYS A O    1 
ATOM   658  C  CB   . LYS A 1 43  ? -9.91377  -7.12161  -1.53628 1.000 15.57241 ? 39  LYS A CB   1 
ATOM   659  C  CG   . LYS A 1 43  ? -9.26237  -7.64222  -2.81344 1.000 17.52117 ? 39  LYS A CG   1 
ATOM   660  C  CD   . LYS A 1 43  ? -9.49154  -6.74430  -3.99226 1.000 28.01120 ? 39  LYS A CD   1 
ATOM   661  C  CE   . LYS A 1 43  ? -8.83284  -7.34749  -5.22625 1.000 33.66712 ? 39  LYS A CE   1 
ATOM   662  N  NZ   . LYS A 1 43  ? -9.18774  -6.60623  -6.47887 1.000 29.91924 ? 39  LYS A NZ   1 
ATOM   663  H  H    . LYS A 1 43  ? -11.23896 -9.15159  -1.06654 1.000 13.21977 ? 39  LYS A H    1 
ATOM   664  H  HA   . LYS A 1 43  ? -8.79325  -8.37196  -0.39158 1.000 13.92156 ? 39  LYS A HA   1 
ATOM   665  H  HB2  . LYS A 1 43  ? -10.86266 -7.00921  -1.70322 1.000 18.71045 ? 39  LYS A HB2  1 
ATOM   666  H  HB3  . LYS A 1 43  ? -9.51190  -6.26641  -1.31708 1.000 18.71045 ? 39  LYS A HB3  1 
ATOM   667  H  HG2  . LYS A 1 43  ? -8.30517  -7.71371  -2.67358 1.000 21.04896 ? 39  LYS A HG2  1 
ATOM   668  H  HG3  . LYS A 1 43  ? -9.63276  -8.51348  -3.02468 1.000 21.04896 ? 39  LYS A HG3  1 
ATOM   669  H  HD2  . LYS A 1 43  ? -10.44317 -6.65464  -4.15735 1.000 33.63700 ? 39  LYS A HD2  1 
ATOM   670  H  HD3  . LYS A 1 43  ? -9.10066  -5.87286  -3.82286 1.000 33.63700 ? 39  LYS A HD3  1 
ATOM   671  H  HE2  . LYS A 1 43  ? -7.86919  -7.31631  -5.11988 1.000 40.42411 ? 39  LYS A HE2  1 
ATOM   672  H  HE3  . LYS A 1 43  ? -9.12601  -8.26671  -5.32621 1.000 40.42411 ? 39  LYS A HE3  1 
ATOM   673  H  HZ1  . LYS A 1 43  ? -9.09390  -5.73044  -6.35126 1.000 35.92666 ? 39  LYS A HZ1  1 
ATOM   674  H  HZ2  . LYS A 1 43  ? -8.65398  -6.85998  -7.14432 1.000 35.92666 ? 39  LYS A HZ2  1 
ATOM   675  H  HZ3  . LYS A 1 43  ? -10.03165 -6.77645  -6.70456 1.000 35.92666 ? 39  LYS A HZ3  1 
ATOM   676  N  N    . THR A 1 44  ? -9.01143  -6.57748  1.41471  1.000 9.31774  ? 40  THR A N    1 
ATOM   677  C  CA   . THR A 1 44  ? -9.19993  -5.85648  2.66181  1.000 10.47985 ? 40  THR A CA   1 
ATOM   678  C  C    . THR A 1 44  ? -10.42835 -4.96434  2.56239  1.000 13.14065 ? 40  THR A C    1 
ATOM   679  O  O    . THR A 1 44  ? -10.79496 -4.47845  1.48449  1.000 13.99688 ? 40  THR A O    1 
ATOM   680  C  CB   . THR A 1 44  ? -8.02345  -4.94517  3.00088  1.000 10.95656 ? 40  THR A CB   1 
ATOM   681  O  OG1  . THR A 1 44  ? -7.97609  -3.86129  2.08142  1.000 18.95409 ? 40  THR A OG1  1 
ATOM   682  C  CG2  . THR A 1 44  ? -6.67729  -5.67180  3.09567  1.000 11.94919 ? 40  THR A CG2  1 
ATOM   683  H  H    . THR A 1 44  ? -8.26389  -6.42821  1.01660  1.000 11.20486 ? 40  THR A H    1 
ATOM   684  H  HA   . THR A 1 44  ? -9.29043  -6.51933  3.36419  1.000 12.59939 ? 40  THR A HA   1 
ATOM   685  H  HB   . THR A 1 44  ? -8.16492  -4.59537  3.89448  1.000 13.17144 ? 40  THR A HB   1 
ATOM   686  H  HG1  . THR A 1 44  ? -7.18042  -3.70528  1.86195  1.000 22.76847 ? 40  THR A HG1  1 
ATOM   687  H  HG21 . THR A 1 44  ? -6.01724  -5.09464  3.51056  1.000 14.36259 ? 40  THR A HG21 1 
ATOM   688  H  HG22 . THR A 1 44  ? -6.77148  -6.47653  3.62899  1.000 14.36259 ? 40  THR A HG22 1 
ATOM   689  H  HG23 . THR A 1 44  ? -6.36897  -5.91607  2.20900  1.000 14.36259 ? 40  THR A HG23 1 
ATOM   690  N  N    . GLY A 1 45  ? -11.06086 -4.73722  3.70829  1.000 12.76497 ? 41  GLY A N    1 
ATOM   691  C  CA   . GLY A 1 45  ? -12.05625 -3.69325  3.80885  1.000 15.35666 ? 41  GLY A CA   1 
ATOM   692  C  C    . GLY A 1 45  ? -13.42360 -4.03573  3.26448  1.000 15.67461 ? 41  GLY A C    1 
ATOM   693  O  O    . GLY A 1 45  ? -14.17611 -3.12063  2.92193  1.000 15.41667 ? 41  GLY A O    1 
ATOM   694  H  H    . GLY A 1 45  ? -10.92903 -5.17464  4.43691  1.000 15.34152 ? 41  GLY A H    1 
ATOM   695  H  HA2  . GLY A 1 45  ? -12.16424 -3.46094  4.74441  1.000 18.45155 ? 41  GLY A HA2  1 
ATOM   696  H  HA3  . GLY A 1 45  ? -11.73583 -2.91578  3.32535  1.000 18.45155 ? 41  GLY A HA3  1 
ATOM   697  N  N    . GLN A 1 46  ? -13.79206 -5.31592  3.20459  1.000 11.60254 ? 42  GLN A N    1 
ATOM   698  C  CA   . GLN A 1 46  ? -14.97813 -5.74017  2.45838  1.000 13.48335 ? 42  GLN A CA   1 
ATOM   699  C  C    . GLN A 1 46  ? -16.13276 -6.27882  3.29305  1.000 14.47689 ? 42  GLN A C    1 
ATOM   700  O  O    . GLN A 1 46  ? -17.19546 -6.55416  2.72213  1.000 17.95738 ? 42  GLN A O    1 
ATOM   701  C  CB   . GLN A 1 46  ? -14.60498 -6.81581  1.42189  1.000 15.98859 ? 42  GLN A CB   1 
ATOM   702  C  CG   . GLN A 1 46  ? -13.75262 -6.35618  0.27426  1.000 17.68529 ? 42  GLN A CG   1 
ATOM   703  C  CD   . GLN A 1 46  ? -14.28721 -5.13036  -0.43625 1.000 29.38779 ? 42  GLN A CD   1 
ATOM   704  O  OE1  . GLN A 1 46  ? -15.39581 -5.14025  -0.96794 1.000 28.32536 ? 42  GLN A OE1  1 
ATOM   705  N  NE2  . GLN A 1 46  ? -13.49402 -4.06541  -0.45312 1.000 42.02505 ? 42  GLN A NE2  1 
ATOM   706  H  H    . GLN A 1 46  ? -13.36983 -5.95894  3.58912  1.000 13.94661 ? 42  GLN A H    1 
ATOM   707  H  HA   . GLN A 1 46  ? -15.30642 -4.94971  2.00199  1.000 16.20359 ? 42  GLN A HA   1 
ATOM   708  H  HB2  . GLN A 1 46  ? -14.11689 -7.51940  1.87755  1.000 19.20987 ? 42  GLN A HB2  1 
ATOM   709  H  HB3  . GLN A 1 46  ? -15.42517 -7.17130  1.04530  1.000 19.20987 ? 42  GLN A HB3  1 
ATOM   710  H  HG2  . GLN A 1 46  ? -12.86847 -6.14035  0.60980  1.000 21.24591 ? 42  GLN A HG2  1 
ATOM   711  H  HG3  . GLN A 1 46  ? -13.69451 -7.07261  -0.37709 1.000 21.24591 ? 42  GLN A HG3  1 
ATOM   712  H  HE21 . GLN A 1 46  ? -12.72313 -4.09735  -0.07322 1.000 50.45363 ? 42  GLN A HE21 1 
ATOM   713  H  HE22 . GLN A 1 46  ? -13.75123 -3.34381  -0.84393 1.000 50.45363 ? 42  GLN A HE22 1 
ATOM   714  N  N    . ALA A 1 47  ? -15.97616 -6.48759  4.59716  1.000 14.28172 ? 43  ALA A N    1 
ATOM   715  C  CA   . ALA A 1 47  ? -17.08698 -7.03344  5.36330  1.000 15.46731 ? 43  ALA A CA   1 
ATOM   716  C  C    . ALA A 1 47  ? -18.23904 -6.03718  5.33828  1.000 15.47358 ? 43  ALA A C    1 
ATOM   717  O  O    . ALA A 1 47  ? -18.05490 -4.85389  5.63413  1.000 13.91512 ? 43  ALA A O    1 
ATOM   718  C  CB   . ALA A 1 47  ? -16.65790 -7.31416  6.79795  1.000 16.61354 ? 43  ALA A CB   1 
ATOM   719  H  H    . ALA A 1 47  ? -15.26094 -6.32694  5.04689  1.000 17.16163 ? 43  ALA A H    1 
ATOM   720  H  HA   . ALA A 1 47  ? -17.37829 -7.87450  4.97776  1.000 18.58434 ? 43  ALA A HA   1 
ATOM   721  H  HB1  . ALA A 1 47  ? -17.41066 -7.68253  7.28637  1.000 19.95981 ? 43  ALA A HB1  1 
ATOM   722  H  HB2  . ALA A 1 47  ? -15.92565 -7.95026  6.78984  1.000 19.95981 ? 43  ALA A HB2  1 
ATOM   723  H  HB3  . ALA A 1 47  ? -16.37058 -6.48425  7.20977  1.000 19.95981 ? 43  ALA A HB3  1 
ATOM   724  N  N    . ALA A 1 48  ? -19.41572 -6.51440  4.94542  1.000 15.78563 ? 44  ALA A N    1 
ATOM   725  C  CA   . ALA A 1 48  ? -20.57405 -5.64032  4.80360  1.000 14.33018 ? 44  ALA A CA   1 
ATOM   726  C  C    . ALA A 1 48  ? -20.92300 -5.00336  6.13360  1.000 15.69903 ? 44  ALA A C    1 
ATOM   727  O  O    . ALA A 1 48  ? -21.14797 -5.70077  7.12696  1.000 19.07345 ? 44  ALA A O    1 
ATOM   728  C  CB   . ALA A 1 48  ? -21.75911 -6.44832  4.28690  1.000 21.19644 ? 44  ALA A CB   1 
ATOM   729  H  H    . ALA A 1 48  ? -19.57048 -7.33864  4.75497  1.000 18.96632 ? 44  ALA A H    1 
ATOM   730  H  HA   . ALA A 1 48  ? -20.36950 -4.93580  4.16901  1.000 17.21978 ? 44  ALA A HA   1 
ATOM   731  H  HB1  . ALA A 1 48  ? -22.51397 -5.85337  4.15602  1.000 25.45929 ? 44  ALA A HB1  1 
ATOM   732  H  HB2  . ALA A 1 48  ? -21.51521 -6.86340  3.44481  1.000 25.45929 ? 44  ALA A HB2  1 
ATOM   733  H  HB3  . ALA A 1 48  ? -21.98461 -7.13031  4.93877  1.000 25.45929 ? 44  ALA A HB3  1 
ATOM   734  N  N    . GLY A 1 49  ? -20.98339 -3.67931  6.15369  1.000 13.18720 ? 45  GLY A N    1 
ATOM   735  C  CA   . GLY A 1 49  ? -21.44767 -2.96107  7.31766  1.000 12.62768 ? 45  GLY A CA   1 
ATOM   736  C  C    . GLY A 1 49  ? -20.39839 -2.55740  8.33205  1.000 13.06492 ? 45  GLY A C    1 
ATOM   737  O  O    . GLY A 1 49  ? -20.75770 -1.96456  9.35889  1.000 13.89059 ? 45  GLY A O    1 
ATOM   738  H  H    . GLY A 1 49  ? -20.75724 -3.17408  5.49550  1.000 15.84820 ? 45  GLY A H    1 
ATOM   739  H  HA2  . GLY A 1 49  ? -21.88567 -2.14909  7.01807  1.000 15.17678 ? 45  GLY A HA2  1 
ATOM   740  H  HA3  . GLY A 1 49  ? -22.09485 -3.51726  7.77887  1.000 15.17678 ? 45  GLY A HA3  1 
ATOM   741  N  N    . PHE A 1 50  ? -19.12386 -2.89629  8.12001  1.000 12.43450 ? 46  PHE A N    1 
ATOM   742  C  CA   . PHE A 1 50  ? -18.07332 -2.56310  9.06627  1.000 11.34268 ? 46  PHE A CA   1 
ATOM   743  C  C    . PHE A 1 50  ? -17.36233 -1.29197  8.62497  1.000 12.96168 ? 46  PHE A C    1 
ATOM   744  O  O    . PHE A 1 50  ? -17.08819 -1.10687  7.43759  1.000 13.43339 ? 46  PHE A O    1 
ATOM   745  C  CB   . PHE A 1 50  ? -17.04028 -3.69476  9.19825  1.000 11.24524 ? 46  PHE A CB   1 
ATOM   746  C  CG   . PHE A 1 50  ? -16.03396 -3.42903  10.29584 1.000 9.91461  ? 46  PHE A CG   1 
ATOM   747  C  CD1  . PHE A 1 50  ? -16.35844 -3.66715  11.62189 1.000 10.24719 ? 46  PHE A CD1  1 
ATOM   748  C  CD2  . PHE A 1 50  ? -14.81203 -2.83852  10.02145 1.000 11.59503 ? 46  PHE A CD2  1 
ATOM   749  C  CE1  . PHE A 1 50  ? -15.44867 -3.35190  12.66278 1.000 8.05576  ? 46  PHE A CE1  1 
ATOM   750  C  CE2  . PHE A 1 50  ? -13.90824 -2.55159  11.04614 1.000 11.14133 ? 46  PHE A CE2  1 
ATOM   751  C  CZ   . PHE A 1 50  ? -14.24607 -2.79062  12.35481 1.000 8.19152  ? 46  PHE A CZ   1 
ATOM   752  H  H    . PHE A 1 50  ? -18.84857 -3.32351  7.42626  1.000 14.94497 ? 46  PHE A H    1 
ATOM   753  H  HA   . PHE A 1 50  ? -18.47718 -2.42051  9.93659  1.000 13.63478 ? 46  PHE A HA   1 
ATOM   754  H  HB2  . PHE A 1 50  ? -17.50126 -4.52280  9.40501  1.000 13.51785 ? 46  PHE A HB2  1 
ATOM   755  H  HB3  . PHE A 1 50  ? -16.55809 -3.78356  8.36129  1.000 13.51785 ? 46  PHE A HB3  1 
ATOM   756  H  HD1  . PHE A 1 50  ? -17.18456 -4.03897  11.83206 1.000 12.32019 ? 46  PHE A HD1  1 
ATOM   757  H  HD2  . PHE A 1 50  ? -14.59032 -2.63018  9.14262  1.000 13.93760 ? 46  PHE A HD2  1 
ATOM   758  H  HE1  . PHE A 1 50  ? -15.67112 -3.52688  13.54867 1.000 9.61057  ? 46  PHE A HE1  1 
ATOM   759  H  HE2  . PHE A 1 50  ? -13.07338 -2.19684  10.84105 1.000 13.39317 ? 46  PHE A HE2  1 
ATOM   760  H  HZ   . PHE A 1 50  ? -13.65136 -2.56843  13.03440 1.000 9.85339  ? 46  PHE A HZ   1 
ATOM   761  N  N    . ALA A 1 51  ? -17.06863 -0.41650  9.58010  1.000 11.13668 ? 47  ALA A N    1 
ATOM   762  C  CA   . ALA A 1 51  ? -16.37812 0.84320   9.29112  1.000 11.88166 ? 47  ALA A CA   1 
ATOM   763  C  C    . ALA A 1 51  ? -14.88131 0.63375   9.45751  1.000 9.25496  ? 47  ALA A C    1 
ATOM   764  O  O    . ALA A 1 51  ? -14.35899 0.61215   10.57336 1.000 11.04016 ? 47  ALA A O    1 
ATOM   765  C  CB   . ALA A 1 51  ? -16.88580 1.95359   10.19533 1.000 11.76245 ? 47  ALA A CB   1 
ATOM   766  H  H    . ALA A 1 51  ? -17.25960 -0.52820  10.41116 1.000 13.38758 ? 47  ALA A H    1 
ATOM   767  H  HA   . ALA A 1 51  ? -16.54824 1.08998   8.36859  1.000 14.28156 ? 47  ALA A HA   1 
ATOM   768  H  HB1  . ALA A 1 51  ? -16.37771 2.76099   10.01972 1.000 14.13851 ? 47  ALA A HB1  1 
ATOM   769  H  HB2  . ALA A 1 51  ? -17.82543 2.10715   10.00981 1.000 14.13851 ? 47  ALA A HB2  1 
ATOM   770  H  HB3  . ALA A 1 51  ? -16.77085 1.68503   11.12029 1.000 14.13851 ? 47  ALA A HB3  1 
ATOM   771  N  N    . TYR A 1 52  ? -14.20406 0.50406   8.33393  1.000 9.24416  ? 48  TYR A N    1 
ATOM   772  C  CA   . TYR A 1 52  ? -12.77886 0.26986   8.29321  1.000 9.94086  ? 48  TYR A CA   1 
ATOM   773  C  C    . TYR A 1 52  ? -11.99375 1.57942   8.24333  1.000 10.72589 ? 48  TYR A C    1 
ATOM   774  O  O    . TYR A 1 52  ? -12.47931 2.61227   7.77800  1.000 11.94882 ? 48  TYR A O    1 
ATOM   775  C  CB   . TYR A 1 52  ? -12.44026 -0.48214  7.01805  1.000 12.85455 ? 48  TYR A CB   1 
ATOM   776  C  CG   . TYR A 1 52  ? -12.83280 -1.93167  6.98104  1.000 12.47815 ? 48  TYR A CG   1 
ATOM   777  C  CD1  . TYR A 1 52  ? -11.98151 -2.91164  7.47270  1.000 9.51419  ? 48  TYR A CD1  1 
ATOM   778  C  CD2  . TYR A 1 52  ? -14.02991 -2.32380  6.40928  1.000 9.89410  ? 48  TYR A CD2  1 
ATOM   779  C  CE1  . TYR A 1 52  ? -12.29638 -4.26278  7.36465  1.000 9.26496  ? 48  TYR A CE1  1 
ATOM   780  C  CE2  . TYR A 1 52  ? -14.36772 -3.63730  6.30894  1.000 9.68283  ? 48  TYR A CE2  1 
ATOM   781  C  CZ   . TYR A 1 52  ? -13.50156 -4.61981  6.79284  1.000 10.71739 ? 48  TYR A CZ   1 
ATOM   782  O  OH   . TYR A 1 52  ? -13.84886 -5.94110  6.67135  1.000 10.03306 ? 48  TYR A OH   1 
ATOM   783  H  H    . TYR A 1 52  ? -14.56239 0.54977   7.55347  1.000 11.10813 ? 48  TYR A H    1 
ATOM   784  H  HA   . TYR A 1 52  ? -12.52610 -0.22696  9.08705  1.000 11.95260 ? 48  TYR A HA   1 
ATOM   785  H  HB2  . TYR A 1 52  ? -12.89210 -0.04461  6.27961  1.000 15.44903 ? 48  TYR A HB2  1 
ATOM   786  H  HB3  . TYR A 1 52  ? -11.47963 -0.44269  6.88942  1.000 15.44903 ? 48  TYR A HB3  1 
ATOM   787  H  HD1  . TYR A 1 52  ? -11.18528 -2.66033  7.88227  1.000 11.44059 ? 48  TYR A HD1  1 
ATOM   788  H  HD2  . TYR A 1 52  ? -14.61503 -1.67662  6.08727  1.000 11.89649 ? 48  TYR A HD2  1 
ATOM   789  H  HE1  . TYR A 1 52  ? -11.70645 -4.91288  7.67165  1.000 11.14152 ? 48  TYR A HE1  1 
ATOM   790  H  HE2  . TYR A 1 52  ? -15.17559 -3.88114  5.91805  1.000 11.64296 ? 48  TYR A HE2  1 
ATOM   791  H  HH   . TYR A 1 52  ? -13.15903 -6.42039  6.66857  1.000 12.06324 ? 48  TYR A HH   1 
ATOM   792  N  N    . THR A 1 53  ? -10.73449 1.50704   8.65980  1.000 9.87904  ? 49  THR A N    1 
ATOM   793  C  CA   . THR A 1 53  ? -9.83678  2.62875   8.40146  1.000 9.30424  ? 49  THR A CA   1 
ATOM   794  C  C    . THR A 1 53  ? -9.48929  2.71126   6.91979  1.000 8.70639  ? 49  THR A C    1 
ATOM   795  O  O    . THR A 1 53  ? -9.44857  1.70601   6.20509  1.000 10.12002 ? 49  THR A O    1 
ATOM   796  C  CB   . THR A 1 53  ? -8.51099  2.52381   9.15246  1.000 8.85026  ? 49  THR A CB   1 
ATOM   797  O  OG1  . THR A 1 53  ? -7.75457  1.36616   8.72692  1.000 8.96587  ? 49  THR A OG1  1 
ATOM   798  C  CG2  . THR A 1 53  ? -8.69343  2.50380   10.63932 1.000 11.16168 ? 49  THR A CG2  1 
ATOM   799  H  H    . THR A 1 53  ? -10.38474 0.84324   9.08010  1.000 11.87841 ? 49  THR A H    1 
ATOM   800  H  HA   . THR A 1 53  ? -10.30166 3.42489   8.70303  1.000 11.18866 ? 49  THR A HA   1 
ATOM   801  H  HB   . THR A 1 53  ? -7.99796  3.31931   8.94061  1.000 10.64387 ? 49  THR A HB   1 
ATOM   802  H  HG1  . THR A 1 53  ? -8.05290  0.67509   9.09978  1.000 10.78261 ? 49  THR A HG1  1 
ATOM   803  H  HG21 . THR A 1 53  ? -7.84204  2.34439   11.07592 1.000 13.41758 ? 49  THR A HG21 1 
ATOM   804  H  HG22 . THR A 1 53  ? -9.04778  3.35467   10.94157 1.000 13.41758 ? 49  THR A HG22 1 
ATOM   805  H  HG23 . THR A 1 53  ? -9.31169  1.79903   10.88825 1.000 13.41758 ? 49  THR A HG23 1 
ATOM   806  N  N    . ASP A 1 54  ? -9.20093  3.93354   6.46984  1.000 10.70712 ? 50  ASP A N    1 
ATOM   807  C  CA   . ASP A 1 54  ? -8.66165  4.11154   5.12832  1.000 10.03448 ? 50  ASP A CA   1 
ATOM   808  C  C    . ASP A 1 54  ? -7.36993  3.31352   4.96220  1.000 9.32841  ? 50  ASP A C    1 
ATOM   809  O  O    . ASP A 1 54  ? -7.08541  2.83110   3.87181  1.000 11.05028 ? 50  ASP A O    1 
ATOM   810  C  CB   . ASP A 1 54  ? -8.46736  5.60399   4.83002  1.000 10.45115 ? 50  ASP A CB   1 
ATOM   811  C  CG   . ASP A 1 54  ? -9.77828  6.32150   4.56325  1.000 22.41062 ? 50  ASP A CG   1 
ATOM   812  O  OD1  . ASP A 1 54  ? -10.78876 5.64686   4.24389  1.000 25.44962 ? 50  ASP A OD1  1 
ATOM   813  O  OD2  . ASP A 1 54  ? -9.79494  7.56354   4.69039  1.000 41.29913 ? 50  ASP A OD2  1 
ATOM   814  H  H    . ASP A 1 54  ? -9.30636  4.66278   6.91335  1.000 12.87211 ? 50  ASP A H    1 
ATOM   815  H  HA   . ASP A 1 54  ? -9.29218  3.78474   4.46761  1.000 12.06494 ? 50  ASP A HA   1 
ATOM   816  H  HB2  . ASP A 1 54  ? -8.04320  6.02680   5.59305  1.000 12.56494 ? 50  ASP A HB2  1 
ATOM   817  H  HB3  . ASP A 1 54  ? -7.90712  5.69946   4.04394  1.000 12.56494 ? 50  ASP A HB3  1 
ATOM   818  N  N    . ALA A 1 55  ? -6.58775  3.15172   6.03736  1.000 10.27487 ? 51  ALA A N    1 
ATOM   819  C  CA   . ALA A 1 55  ? -5.32774  2.41599   5.96116  1.000 9.46622  ? 51  ALA A CA   1 
ATOM   820  C  C    . ALA A 1 55  ? -5.56290  0.95906   5.59402  1.000 10.13602 ? 51  ALA A C    1 
ATOM   821  O  O    . ALA A 1 55  ? -4.84814  0.39619   4.75698  1.000 12.18841 ? 51  ALA A O    1 
ATOM   822  C  CB   . ALA A 1 55  ? -4.57148  2.51957   7.28919  1.000 10.29374 ? 51  ALA A CB   1 
ATOM   823  H  H    . ALA A 1 55  ? -6.76462  3.45814   6.82121  1.000 12.35341 ? 51  ALA A H    1 
ATOM   824  H  HA   . ALA A 1 55  ? -4.77834  2.81773   5.27002  1.000 11.38303 ? 51  ALA A HA   1 
ATOM   825  H  HB1  . ALA A 1 55  ? -3.72859  2.04604   7.21037  1.000 12.37605 ? 51  ALA A HB1  1 
ATOM   826  H  HB2  . ALA A 1 55  ? -4.40812  3.45493   7.48746  1.000 12.37605 ? 51  ALA A HB2  1 
ATOM   827  H  HB3  . ALA A 1 55  ? -5.10997  2.12179   7.99111  1.000 12.37605 ? 51  ALA A HB3  1 
ATOM   828  N  N    . ASN A 1 56  ? -6.51556  0.30567   6.25774  1.000 8.74538  ? 52  ASN A N    1 
ATOM   829  C  CA   . ASN A 1 56  ? -6.86397  -1.05402  5.87875  1.000 10.05277 ? 52  ASN A CA   1 
ATOM   830  C  C    . ASN A 1 56  ? -7.32788  -1.11917  4.43145  1.000 12.28225 ? 52  ASN A C    1 
ATOM   831  O  O    . ASN A 1 56  ? -6.86803  -1.96169  3.66994  1.000 11.72214 ? 52  ASN A O    1 
ATOM   832  C  CB   . ASN A 1 56  ? -7.90980  -1.60001  6.83506  1.000 10.21786 ? 52  ASN A CB   1 
ATOM   833  C  CG   . ASN A 1 56  ? -8.54777  -2.88160  6.34066  1.000 14.88088 ? 52  ASN A CG   1 
ATOM   834  O  OD1  . ASN A 1 56  ? -9.33756  -2.86657  5.39792  1.000 12.96405 ? 52  ASN A OD1  1 
ATOM   835  N  ND2  . ASN A 1 56  ? -8.23633  -3.98733  6.98959  1.000 12.83850 ? 52  ASN A ND2  1 
ATOM   836  H  H    . ASN A 1 56  ? -6.96603  0.62202   6.91849  1.000 10.51802 ? 52  ASN A H    1 
ATOM   837  H  HA   . ASN A 1 56  ? -6.07968  -1.62015  5.95136  1.000 12.08689 ? 52  ASN A HA   1 
ATOM   838  H  HB2  . ASN A 1 56  ? -7.49010  -1.78481  7.68981  1.000 12.28500 ? 52  ASN A HB2  1 
ATOM   839  H  HB3  . ASN A 1 56  ? -8.61155  -0.93959  6.94594  1.000 12.28500 ? 52  ASN A HB3  1 
ATOM   840  H  HD21 . ASN A 1 56  ? -8.57435  -4.73928  6.74480  1.000 15.42976 ? 52  ASN A HD21 1 
ATOM   841  H  HD22 . ASN A 1 56  ? -7.69532  -3.95613  7.65736  1.000 15.42976 ? 52  ASN A HD22 1 
ATOM   842  N  N    . LYS A 1 57  ? -8.20173  -0.19940  4.01643  1.000 10.21672 ? 53  LYS A N    1 
ATOM   843  C  CA   . LYS A 1 57  ? -8.74935  -0.26262  2.66145  1.000 11.00328 ? 53  LYS A CA   1 
ATOM   844  C  C    . LYS A 1 57  ? -7.67142  -0.02664  1.61744  1.000 14.45701 ? 53  LYS A C    1 
ATOM   845  O  O    . LYS A 1 57  ? -7.67277  -0.66383  0.55238  1.000 14.98302 ? 53  LYS A O    1 
ATOM   846  C  CB   . LYS A 1 57  ? -9.88047  0.76300   2.52012  1.000 11.80762 ? 53  LYS A CB   1 
ATOM   847  C  CG   . LYS A 1 57  ? -11.13227 0.41086   3.30169  1.000 14.21691 ? 53  LYS A CG   1 
ATOM   848  C  CD   . LYS A 1 57  ? -12.23620 1.45104   3.15236  1.000 22.69627 ? 53  LYS A CD   1 
ATOM   849  C  CE   . LYS A 1 57  ? -11.98772 2.65319   4.07406  1.000 28.46673 ? 53  LYS A CE   1 
ATOM   850  N  NZ   . LYS A 1 57  ? -13.19359 3.50403   4.29750  1.000 43.32994 ? 53  LYS A NZ   1 
ATOM   851  H  H    . LYS A 1 57  ? -8.48960  0.45927   4.48854  1.000 12.28363 ? 53  LYS A H    1 
ATOM   852  H  HA   . LYS A 1 57  ? -9.11803  -1.14635  2.50653  1.000 13.22750 ? 53  LYS A HA   1 
ATOM   853  H  HB2  . LYS A 1 57  ? -9.56362  1.62173   2.84120  1.000 14.19271 ? 53  LYS A HB2  1 
ATOM   854  H  HB3  . LYS A 1 57  ? -10.12556 0.82874   1.58390  1.000 14.19271 ? 53  LYS A HB3  1 
ATOM   855  H  HG2  . LYS A 1 57  ? -11.47606 -0.43802  2.98212  1.000 17.08386 ? 53  LYS A HG2  1 
ATOM   856  H  HG3  . LYS A 1 57  ? -10.90888 0.34499   4.24332  1.000 17.08386 ? 53  LYS A HG3  1 
ATOM   857  H  HD2  . LYS A 1 57  ? -12.26067 1.76703   2.23559  1.000 27.25909 ? 53  LYS A HD2  1 
ATOM   858  H  HD3  . LYS A 1 57  ? -13.08883 1.05373   3.38919  1.000 27.25909 ? 53  LYS A HD3  1 
ATOM   859  H  HE2  . LYS A 1 57  ? -11.69253 2.32740   4.93872  1.000 34.18365 ? 53  LYS A HE2  1 
ATOM   860  H  HE3  . LYS A 1 57  ? -11.30131 3.21284   3.67841  1.000 34.18365 ? 53  LYS A HE3  1 
ATOM   861  H  HZ1  . LYS A 1 57  ? -13.00850 4.14593   4.88555  1.000 52.01949 ? 53  LYS A HZ1  1 
ATOM   862  H  HZ2  . LYS A 1 57  ? -13.44793 3.87877   3.53136  1.000 52.01949 ? 53  LYS A HZ2  1 
ATOM   863  H  HZ3  . LYS A 1 57  ? -13.86208 3.00793   4.61230  1.000 52.01949 ? 53  LYS A HZ3  1 
ATOM   864  N  N    . ALA A 1 58  ? -6.71903  0.84850   1.91467  1.000 13.02939 ? 54  ALA A N    1 
ATOM   865  C  CA   . ALA A 1 58  ? -5.67753  1.18325   0.96161  1.000 12.56400 ? 54  ALA A CA   1 
ATOM   866  C  C    . ALA A 1 58  ? -4.60854  0.10625   0.82687  1.000 13.03802 ? 54  ALA A C    1 
ATOM   867  O  O    . ALA A 1 58  ? -3.82590  0.14556   -0.12015 1.000 14.31682 ? 54  ALA A O    1 
ATOM   868  C  CB   . ALA A 1 58  ? -5.01606  2.50185   1.36907  1.000 16.44431 ? 54  ALA A CB   1 
ATOM   869  H  H    . ALA A 1 58  ? -6.65466  1.26331   2.66526  1.000 15.65883 ? 54  ALA A H    1 
ATOM   870  H  HA   . ALA A 1 58  ? -6.08690  1.29363   0.08919  1.000 15.10037 ? 54  ALA A HA   1 
ATOM   871  H  HB1  . ALA A 1 58  ? -4.36220  2.74828   0.69629  1.000 19.75674 ? 54  ALA A HB1  1 
ATOM   872  H  HB2  . ALA A 1 58  ? -5.69707  3.18935   1.43594  1.000 19.75674 ? 54  ALA A HB2  1 
ATOM   873  H  HB3  . ALA A 1 58  ? -4.57944  2.38419   2.22722  1.000 19.75674 ? 54  ALA A HB3  1 
ATOM   874  N  N    . LYS A 1 59  ? -4.52242  -0.84192  1.74609  1.000 11.13214 ? 55  LYS A N    1 
ATOM   875  C  CA   . LYS A 1 59  ? -3.43940  -1.81846  1.63468  1.000 10.84721 ? 55  LYS A CA   1 
ATOM   876  C  C    . LYS A 1 59  ? -3.50430  -2.56661  0.30935  1.000 11.60128 ? 55  LYS A C    1 
ATOM   877  O  O    . LYS A 1 59  ? -2.46280  -2.93078  -0.25457 1.000 11.58855 ? 55  LYS A O    1 
ATOM   878  C  CB   . LYS A 1 59  ? -3.45068  -2.76999  2.82934  1.000 11.14904 ? 55  LYS A CB   1 
ATOM   879  C  CG   . LYS A 1 59  ? -2.26702  -3.73235  2.85804  1.000 9.87444  ? 55  LYS A CG   1 
ATOM   880  C  CD   . LYS A 1 59  ? -0.92986  -3.04498  3.12157  1.000 8.07297  ? 55  LYS A CD   1 
ATOM   881  C  CE   . LYS A 1 59  ? 0.26467   -4.01798  3.02830  1.000 10.73176 ? 55  LYS A CE   1 
ATOM   882  N  NZ   . LYS A 1 59  ? 1.52851   -3.42828  3.48784  1.000 11.38057 ? 55  LYS A NZ   1 
ATOM   883  H  H    . LYS A 1 59  ? -5.05052  -0.94417  2.41710  1.000 13.38213 ? 55  LYS A H    1 
ATOM   884  H  HA   . LYS A 1 59  ? -2.58730  -1.35575  1.66190  1.000 13.04021 ? 55  LYS A HA   1 
ATOM   885  H  HB2  . LYS A 1 59  ? -3.42682  -2.24638  3.64552  1.000 13.40241 ? 55  LYS A HB2  1 
ATOM   886  H  HB3  . LYS A 1 59  ? -4.26268  -3.29972  2.79864  1.000 13.40241 ? 55  LYS A HB3  1 
ATOM   887  H  HG2  . LYS A 1 59  ? -2.40935  -4.38365  3.56263  1.000 11.87289 ? 55  LYS A HG2  1 
ATOM   888  H  HG3  . LYS A 1 59  ? -2.20597  -4.18012  1.99974  1.000 11.87289 ? 55  LYS A HG3  1 
ATOM   889  H  HD2  . LYS A 1 59  ? -0.79840  -2.34409  2.46402  1.000 9.71113  ? 55  LYS A HD2  1 
ATOM   890  H  HD3  . LYS A 1 59  ? -0.93886  -2.66512  4.01406  1.000 9.71113  ? 55  LYS A HD3  1 
ATOM   891  H  HE2  . LYS A 1 59  ? 0.08109   -4.79518  3.57890  1.000 12.90167 ? 55  LYS A HE2  1 
ATOM   892  H  HE3  . LYS A 1 59  ? 0.38024   -4.28647  2.10339  1.000 12.90167 ? 55  LYS A HE3  1 
ATOM   893  H  HZ1  . LYS A 1 59  ? 2.15966   -4.05448  3.52825  1.000 13.68025 ? 55  LYS A HZ1  1 
ATOM   894  H  HZ2  . LYS A 1 59  ? 1.78969   -2.79089  2.92427  1.000 13.68025 ? 55  LYS A HZ2  1 
ATOM   895  H  HZ3  . LYS A 1 59  ? 1.42215   -3.07276  4.29678  1.000 13.68025 ? 55  LYS A HZ3  1 
ATOM   896  N  N    . GLY A 1 60  ? -4.70096  -2.82162  -0.20703 1.000 9.09767  ? 56  GLY A N    1 
ATOM   897  C  CA   . GLY A 1 60  ? -4.81532  -3.36485  -1.53999 1.000 10.89193 ? 56  GLY A CA   1 
ATOM   898  C  C    . GLY A 1 60  ? -4.28837  -4.76964  -1.67588 1.000 10.23815 ? 56  GLY A C    1 
ATOM   899  O  O    . GLY A 1 60  ? -3.59256  -5.07375  -2.64750 1.000 10.73660 ? 56  GLY A O    1 
ATOM   900  H  H    . GLY A 1 60  ? -5.45019  -2.68862  0.19368  1.000 10.94077 ? 56  GLY A H    1 
ATOM   901  H  HA2  . GLY A 1 60  ? -5.75026  -3.36955  -1.79838 1.000 13.09389 ? 56  GLY A HA2  1 
ATOM   902  H  HA3  . GLY A 1 60  ? -4.32097  -2.79906  -2.15351 1.000 13.09389 ? 56  GLY A HA3  1 
ATOM   903  N  N    . ILE A 1 61  ? -4.61483  -5.63431  -0.71626 1.000 10.07333 ? 57  ILE A N    1 
ATOM   904  C  CA   . ILE A 1 61  ? -4.22982  -7.03021  -0.78839 1.000 9.64635  ? 57  ILE A CA   1 
ATOM   905  C  C    . ILE A 1 61  ? -5.45275  -7.92382  -0.62025 1.000 8.57052  ? 57  ILE A C    1 
ATOM   906  O  O    . ILE A 1 61  ? -6.52870  -7.47788  -0.21519 1.000 10.03177 ? 57  ILE A O    1 
ATOM   907  C  CB   . ILE A 1 61  ? -3.12154  -7.40422  0.22120  1.000 9.43630  ? 57  ILE A CB   1 
ATOM   908  C  CG1  . ILE A 1 61  ? -3.54029  -7.15662  1.66684  1.000 11.01420 ? 57  ILE A CG1  1 
ATOM   909  C  CG2  . ILE A 1 61  ? -1.81869  -6.67030  -0.07819 1.000 10.45366 ? 57  ILE A CG2  1 
ATOM   910  C  CD1  . ILE A 1 61  ? -4.23193  -8.32948  2.34281  1.000 13.55387 ? 57  ILE A CD1  1 
ATOM   911  H  H    . ILE A 1 61  ? -5.06230  -5.42707  -0.01169 1.000 12.11156 ? 57  ILE A H    1 
ATOM   912  H  HA   . ILE A 1 61  ? -3.88279  -7.19693  -1.67871 1.000 11.59918 ? 57  ILE A HA   1 
ATOM   913  H  HB   . ILE A 1 61  ? -2.97656  -8.35734  0.11423  1.000 11.34713 ? 57  ILE A HB   1 
ATOM   914  H  HG12 . ILE A 1 61  ? -2.74735  -6.94813  2.18518  1.000 13.24060 ? 57  ILE A HG12 1 
ATOM   915  H  HG13 . ILE A 1 61  ? -4.15501  -6.40649  1.68466  1.000 13.24060 ? 57  ILE A HG13 1 
ATOM   916  H  HG21 . ILE A 1 61  ? -1.18035  -6.85949  0.62723  1.000 12.56796 ? 57  ILE A HG21 1 
ATOM   917  H  HG22 . ILE A 1 61  ? -1.47133  -6.97817  -0.92993 1.000 12.56796 ? 57  ILE A HG22 1 
ATOM   918  H  HG23 . ILE A 1 61  ? -1.99501  -5.71728  -0.11788 1.000 12.56796 ? 57  ILE A HG23 1 
ATOM   919  H  HD11 . ILE A 1 61  ? -4.27711  -8.16210  3.29719  1.000 16.28822 ? 57  ILE A HD11 1 
ATOM   920  H  HD12 . ILE A 1 61  ? -5.12701  -8.42000  1.98012  1.000 16.28822 ? 57  ILE A HD12 1 
ATOM   921  H  HD13 . ILE A 1 61  ? -3.72272  -9.13729  2.17240  1.000 16.28822 ? 57  ILE A HD13 1 
ATOM   922  N  N    . THR A 1 62  ? -5.28716  -9.18497  -1.00791 1.000 8.44308  ? 58  THR A N    1 
ATOM   923  C  CA   . THR A 1 62  ? -6.28841  -10.21747 -0.78066 1.000 10.16177 ? 58  THR A CA   1 
ATOM   924  C  C    . THR A 1 62  ? -5.86074  -11.08953 0.38860  1.000 7.56305  ? 58  THR A C    1 
ATOM   925  O  O    . THR A 1 62  ? -4.75052  -11.62181 0.41428  1.000 8.94118  ? 58  THR A O    1 
ATOM   926  C  CB   . THR A 1 62  ? -6.48598  -11.07969 -2.02322 1.000 11.07468 ? 58  THR A CB   1 
ATOM   927  O  OG1  . THR A 1 62  ? -6.91860  -10.23752 -3.10605 1.000 13.01289 ? 58  THR A OG1  1 
ATOM   928  C  CG2  . THR A 1 62  ? -7.54044  -12.14428 -1.79647 1.000 13.15868 ? 58  THR A CG2  1 
ATOM   929  H  H    . THR A 1 62  ? -4.58497  -9.47050  -1.41412 1.000 10.15527 ? 58  THR A H    1 
ATOM   930  H  HA   . THR A 1 62  ? -7.13518  -9.79629  -0.56506 1.000 12.21769 ? 58  THR A HA   1 
ATOM   931  H  HB   . THR A 1 62  ? -5.65024  -11.52221 -2.23913 1.000 13.31318 ? 58  THR A HB   1 
ATOM   932  H  HG1  . THR A 1 62  ? -6.99331  -10.69004 -3.80978 1.000 15.63903 ? 58  THR A HG1  1 
ATOM   933  H  HG21 . THR A 1 62  ? -7.73533  -12.60099 -2.62974 1.000 15.81398 ? 58  THR A HG21 1 
ATOM   934  H  HG22 . THR A 1 62  ? -7.22314  -12.79287 -1.14874 1.000 15.81398 ? 58  THR A HG22 1 
ATOM   935  H  HG23 . THR A 1 62  ? -8.35536  -11.73815 -1.46202 1.000 15.81398 ? 58  THR A HG23 1 
ATOM   936  N  N    . TRP A 1 63  ? -6.74867  -11.23319 1.37093  1.000 7.93192  ? 59  TRP A N    1 
ATOM   937  C  CA   . TRP A 1 63  ? -6.47250  -12.10722 2.49739  1.000 9.11975  ? 59  TRP A CA   1 
ATOM   938  C  C    . TRP A 1 63  ? -6.44607  -13.55830 2.02703  1.000 8.37234  ? 59  TRP A C    1 
ATOM   939  O  O    . TRP A 1 63  ? -7.33299  -14.01019 1.30309  1.000 9.48315  ? 59  TRP A O    1 
ATOM   940  C  CB   . TRP A 1 63  ? -7.50113  -11.90159 3.60685  1.000 9.12708  ? 59  TRP A CB   1 
ATOM   941  C  CG   . TRP A 1 63  ? -7.37954  -10.56369 4.26025  1.000 7.33069  ? 59  TRP A CG   1 
ATOM   942  C  CD1  . TRP A 1 63  ? -8.33374  -9.61595  4.35209  1.000 7.24602  ? 59  TRP A CD1  1 
ATOM   943  C  CD2  . TRP A 1 63  ? -6.21772  -10.02166 4.90704  1.000 6.97995  ? 59  TRP A CD2  1 
ATOM   944  N  NE1  . TRP A 1 63  ? -7.86462  -8.52621  5.03642  1.000 8.42367  ? 59  TRP A NE1  1 
ATOM   945  C  CE2  . TRP A 1 63  ? -6.56042  -8.75428  5.37603  1.000 7.48712  ? 59  TRP A CE2  1 
ATOM   946  C  CE3  . TRP A 1 63  ? -4.92535  -10.49398 5.13544  1.000 9.33817  ? 59  TRP A CE3  1 
ATOM   947  C  CZ2  . TRP A 1 63  ? -5.63880  -7.93041  6.05175  1.000 8.70126  ? 59  TRP A CZ2  1 
ATOM   948  C  CZ3  . TRP A 1 63  ? -4.03447  -9.67254  5.81870  1.000 9.20017  ? 59  TRP A CZ3  1 
ATOM   949  C  CH2  . TRP A 1 63  ? -4.39351  -8.41379  6.25054  1.000 9.89009  ? 59  TRP A CH2  1 
ATOM   950  H  H    . TRP A 1 63  ? -7.51147  -10.83758 1.40580  1.000 9.54187  ? 59  TRP A H    1 
ATOM   951  H  HA   . TRP A 1 63  ? -5.60410  -11.89421 2.87344  1.000 10.96727 ? 59  TRP A HA   1 
ATOM   952  H  HB2  . TRP A 1 63  ? -8.39199  -11.97264 3.22973  1.000 10.97607 ? 59  TRP A HB2  1 
ATOM   953  H  HB3  . TRP A 1 63  ? -7.37353  -12.58147 4.28684  1.000 10.97607 ? 59  TRP A HB3  1 
ATOM   954  H  HD1  . TRP A 1 63  ? -9.19113  -9.69151  3.99986  1.000 8.71879  ? 59  TRP A HD1  1 
ATOM   955  H  HE1  . TRP A 1 63  ? -8.31508  -7.81736  5.22140  1.000 10.13197 ? 59  TRP A HE1  1 
ATOM   956  H  HE3  . TRP A 1 63  ? -4.66592  -11.33630 4.83862  1.000 11.22936 ? 59  TRP A HE3  1 
ATOM   957  H  HZ2  . TRP A 1 63  ? -5.87954  -7.08324  6.35050  1.000 10.46508 ? 59  TRP A HZ2  1 
ATOM   958  H  HZ3  . TRP A 1 63  ? -3.17371  -9.98093  5.98863  1.000 11.06377 ? 59  TRP A HZ3  1 
ATOM   959  H  HH2  . TRP A 1 63  ? -3.76493  -7.88619  6.68805  1.000 11.89168 ? 59  TRP A HH2  1 
ATOM   960  N  N    . ASN A 1 64  ? -5.40385  -14.27229 2.40921  1.000 6.83246  ? 60  ASN A N    1 
ATOM   961  C  CA   . ASN A 1 64  ? -5.18060  -15.68043 2.11864  1.000 9.57892  ? 60  ASN A CA   1 
ATOM   962  C  C    . ASN A 1 64  ? -4.04169  -16.10280 3.04752  1.000 8.05484  ? 60  ASN A C    1 
ATOM   963  O  O    . ASN A 1 64  ? -3.57322  -15.30512 3.86372  1.000 9.00210  ? 60  ASN A O    1 
ATOM   964  C  CB   . ASN A 1 64  ? -4.86769  -15.92402 0.64281  1.000 11.72231 ? 60  ASN A CB   1 
ATOM   965  C  CG   . ASN A 1 64  ? -6.09386  -16.34627 -0.15393 1.000 13.55611 ? 60  ASN A CG   1 
ATOM   966  O  OD1  . ASN A 1 64  ? -6.90823  -17.13070 0.30721  1.000 17.54844 ? 60  ASN A OD1  1 
ATOM   967  N  ND2  . ASN A 1 64  ? -6.20306  -15.83055 -1.37461 1.000 16.43873 ? 60  ASN A ND2  1 
ATOM   968  H  H    . ASN A 1 64  ? -4.76139  -13.93957 2.87412  1.000 8.22251  ? 60  ASN A H    1 
ATOM   969  H  HA   . ASN A 1 64  ? -5.97236  -16.20535 2.31477  1.000 11.51827 ? 60  ASN A HA   1 
ATOM   970  H  HB2  . ASN A 1 64  ? -4.52329  -15.10533 0.25289  1.000 14.09034 ? 60  ASN A HB2  1 
ATOM   971  H  HB3  . ASN A 1 64  ? -4.20567  -16.62941 0.57179  1.000 14.09034 ? 60  ASN A HB3  1 
ATOM   972  H  HD21 . ASN A 1 64  ? -6.87632  -16.03494 -1.86912 1.000 19.75004 ? 60  ASN A HD21 1 
ATOM   973  H  HD22 . ASN A 1 64  ? -5.60042  -15.29259 -1.66962 1.000 19.75004 ? 60  ASN A HD22 1 
ATOM   974  N  N    . GLU A 1 65  ? -3.57036  -17.34229 2.91345  1.000 8.36722  ? 61  GLU A N    1 
ATOM   975  C  CA   . GLU A 1 65  ? -2.58924  -17.85098 3.87541  1.000 8.68961  ? 61  GLU A CA   1 
ATOM   976  C  C    . GLU A 1 65  ? -1.35458  -16.94914 4.02951  1.000 8.74546  ? 61  GLU A C    1 
ATOM   977  O  O    . GLU A 1 65  ? -0.93831  -16.61885 5.15225  1.000 8.46758  ? 61  GLU A O    1 
ATOM   978  C  CB   . GLU A 1 65  ? -2.15639  -19.25849 3.45094  1.000 11.47238 ? 61  GLU A CB   1 
ATOM   979  C  CG   . GLU A 1 65  ? -3.15682  -20.41242 3.71350  1.000 9.50851  ? 61  GLU A CG   1 
ATOM   980  C  CD   . GLU A 1 65  ? -4.26826  -20.53505 2.70003  1.000 13.72652 ? 61  GLU A CD   1 
ATOM   981  O  OE1  . GLU A 1 65  ? -4.35447  -19.72170 1.75764  1.000 16.67405 ? 61  GLU A OE1  1 
ATOM   982  O  OE2  . GLU A 1 65  ? -5.07477  -21.49852 2.84401  1.000 18.19172 ? 61  GLU A OE2  1 
ATOM   983  H  H    . GLU A 1 65  ? -3.79341  -17.89558 2.29400  1.000 10.06423 ? 61  GLU A H    1 
ATOM   984  H  HA   . GLU A 1 65  ? -3.02045  -17.88106 4.74377  1.000 10.45110 ? 61  GLU A HA   1 
ATOM   985  H  HB2  . GLU A 1 65  ? -1.98702  -19.24393 2.49595  1.000 13.79042 ? 61  GLU A HB2  1 
ATOM   986  H  HB3  . GLU A 1 65  ? -1.34138  -19.47758 3.92912  1.000 13.79042 ? 61  GLU A HB3  1 
ATOM   987  H  HG2  . GLU A 1 65  ? -2.66768  -21.25006 3.71096  1.000 11.43377 ? 61  GLU A HG2  1 
ATOM   988  H  HG3  . GLU A 1 65  ? -3.56848  -20.27127 4.58040  1.000 11.43377 ? 61  GLU A HG3  1 
ATOM   989  N  N    . ASP A 1 66  ? -0.73172  -16.57693 2.91516  1.000 8.50261  ? 62  ASP A N    1 
ATOM   990  C  CA   . ASP A 1 66  ? 0.53294   -15.85361 2.98151  1.000 8.35850  ? 62  ASP A CA   1 
ATOM   991  C  C    . ASP A 1 66  ? 0.35432   -14.46587 3.56798  1.000 8.55088  ? 62  ASP A C    1 
ATOM   992  O  O    . ASP A 1 66  ? 1.17546   -14.01532 4.38692  1.000 9.27230  ? 62  ASP A O    1 
ATOM   993  C  CB   . ASP A 1 66  ? 1.14688   -15.73820 1.59329  1.000 9.56297  ? 62  ASP A CB   1 
ATOM   994  C  CG   . ASP A 1 66  ? 1.63811   -17.06533 1.04379  1.000 12.77951 ? 62  ASP A CG   1 
ATOM   995  O  OD1  . ASP A 1 66  ? 2.00359   -17.94684 1.83282  1.000 17.79224 ? 62  ASP A OD1  1 
ATOM   996  O  OD2  . ASP A 1 66  ? 1.68230   -17.22592 -0.19168 1.000 10.59270 ? 62  ASP A OD2  1 
ATOM   997  H  H    . ASP A 1 66  ? -1.01423  -16.72762 2.11699  1.000 10.22669 ? 62  ASP A H    1 
ATOM   998  H  HA   . ASP A 1 66  ? 1.13537   -16.35669 3.55149  1.000 10.05376 ? 62  ASP A HA   1 
ATOM   999  H  HB2  . ASP A 1 66  ? 0.47839   -15.39163 0.98180  1.000 11.49913 ? 62  ASP A HB2  1 
ATOM   1000 H  HB3  . ASP A 1 66  ? 1.90446   -15.13379 1.63392  1.000 11.49913 ? 62  ASP A HB3  1 
ATOM   1001 N  N    . THR A 1 67  ? -0.67389  -13.73238 3.14146  1.000 8.54777  ? 63  THR A N    1 
ATOM   1002 C  CA   . THR A 1 67  ? -0.82346  -12.37894 3.64666  1.000 8.85663  ? 63  THR A CA   1 
ATOM   1003 C  C    . THR A 1 67  ? -1.23575  -12.38450 5.11493  1.000 6.61068  ? 63  THR A C    1 
ATOM   1004 O  O    . THR A 1 67  ? -0.78152  -11.54123 5.88626  1.000 8.20776  ? 63  THR A O    1 
ATOM   1005 C  CB   . THR A 1 67  ? -1.81248  -11.58611 2.78667  1.000 9.50455  ? 63  THR A CB   1 
ATOM   1006 O  OG1  . THR A 1 67  ? -3.04980  -12.32096 2.62420  1.000 9.57741  ? 63  THR A OG1  1 
ATOM   1007 C  CG2  . THR A 1 67  ? -1.20961  -11.29123 1.41722  1.000 7.95247  ? 63  THR A CG2  1 
ATOM   1008 H  H    . THR A 1 67  ? -1.27481  -13.98689 2.58135  1.000 10.28089 ? 63  THR A H    1 
ATOM   1009 H  HA   . THR A 1 67  ? 0.03091   -11.92420 3.58202  1.000 10.65152 ? 63  THR A HA   1 
ATOM   1010 H  HB   . THR A 1 67  ? -2.00858  -10.74439 3.22707  1.000 11.42902 ? 63  THR A HB   1 
ATOM   1011 H  HG1  . THR A 1 67  ? -2.94972  -13.11326 2.88465  1.000 11.51646 ? 63  THR A HG1  1 
ATOM   1012 H  HG21 . THR A 1 67  ? -1.85536  -10.82451 0.86398  1.000 9.56653  ? 63  THR A HG21 1 
ATOM   1013 H  HG22 . THR A 1 67  ? -0.41970  -10.73679 1.51488  1.000 9.56653  ? 63  THR A HG22 1 
ATOM   1014 H  HG23 . THR A 1 67  ? -0.96032  -12.11995 0.97906  1.000 9.56653  ? 63  THR A HG23 1 
ATOM   1015 N  N    . LEU A 1 68  ? -2.08584  -13.31678 5.51393  1.000 7.19467  ? 64  LEU A N    1 
ATOM   1016 C  CA   . LEU A 1 68  ? -2.39577  -13.42296 6.93042  1.000 6.95254  ? 64  LEU A CA   1 
ATOM   1017 C  C    . LEU A 1 68  ? -1.15788  -13.77840 7.75103  1.000 7.82137  ? 64  LEU A C    1 
ATOM   1018 O  O    . LEU A 1 68  ? -0.97098  -13.25376 8.85479  1.000 9.40675  ? 64  LEU A O    1 
ATOM   1019 C  CB   . LEU A 1 68  ? -3.51251  -14.44978 7.13520  1.000 8.15159  ? 64  LEU A CB   1 
ATOM   1020 C  CG   . LEU A 1 68  ? -4.92569  -14.08970 6.66555  1.000 7.55246  ? 64  LEU A CG   1 
ATOM   1021 C  CD1  . LEU A 1 68  ? -5.83042  -15.32461 6.61126  1.000 7.22523  ? 64  LEU A CD1  1 
ATOM   1022 C  CD2  . LEU A 1 68  ? -5.50739  -13.01101 7.54717  1.000 7.81709  ? 64  LEU A CD2  1 
ATOM   1023 H  H    . LEU A 1 68  ? -2.48548  -13.88314 5.00489  1.000 8.65717  ? 64  LEU A H    1 
ATOM   1024 H  HA   . LEU A 1 68  ? -2.71456  -12.56510 7.25192  1.000 8.36661  ? 64  LEU A HA   1 
ATOM   1025 H  HB2  . LEU A 1 68  ? -3.25970  -15.25672 6.65999  1.000 9.80547  ? 64  LEU A HB2  1 
ATOM   1026 H  HB3  . LEU A 1 68  ? -3.57410  -14.63035 8.08625  1.000 9.80547  ? 64  LEU A HB3  1 
ATOM   1027 H  HG   . LEU A 1 68  ? -4.87916  -13.74281 5.76089  1.000 9.08652  ? 64  LEU A HG   1 
ATOM   1028 H  HD11 . LEU A 1 68  ? -6.75193  -15.03705 6.51622  1.000 8.69384  ? 64  LEU A HD11 1 
ATOM   1029 H  HD12 . LEU A 1 68  ? -5.57427  -15.87061 5.85155  1.000 8.69384  ? 64  LEU A HD12 1 
ATOM   1030 H  HD13 . LEU A 1 68  ? -5.72463  -15.82995 7.43245  1.000 8.69384  ? 64  LEU A HD13 1 
ATOM   1031 H  HD21 . LEU A 1 68  ? -6.40422  -12.80299 7.24170  1.000 9.40407  ? 64  LEU A HD21 1 
ATOM   1032 H  HD22 . LEU A 1 68  ? -5.53572  -13.33206 8.46207  1.000 9.40407  ? 64  LEU A HD22 1 
ATOM   1033 H  HD23 . LEU A 1 68  ? -4.94726  -12.22107 7.49101  1.000 9.40407  ? 64  LEU A HD23 1 
ATOM   1034 N  N    . PHE A 1 69  ? -0.29291  -14.64550 7.21503  1.000 7.40450  ? 65  PHE A N    1 
ATOM   1035 C  CA   . PHE A 1 69  ? 0.90238   -15.05594 7.93895  1.000 7.18325  ? 65  PHE A CA   1 
ATOM   1036 C  C    . PHE A 1 69  ? 1.78817   -13.86734 8.26015  1.000 10.41070 ? 65  PHE A C    1 
ATOM   1037 O  O    . PHE A 1 69  ? 2.31827   -13.75645 9.37352  1.000 9.58291  ? 65  PHE A O    1 
ATOM   1038 C  CB   . PHE A 1 69  ? 1.65792   -16.06541 7.07870  1.000 9.99614  ? 65  PHE A CB   1 
ATOM   1039 C  CG   . PHE A 1 69  ? 2.83114   -16.71570 7.77336  1.000 10.84543 ? 65  PHE A CG   1 
ATOM   1040 C  CD1  . PHE A 1 69  ? 2.62620   -17.67506 8.74344  1.000 8.86406  ? 65  PHE A CD1  1 
ATOM   1041 C  CD2  . PHE A 1 69  ? 4.13993   -16.37975 7.44061  1.000 10.89745 ? 65  PHE A CD2  1 
ATOM   1042 C  CE1  . PHE A 1 69  ? 3.69728   -18.30432 9.35798  1.000 10.53944 ? 65  PHE A CE1  1 
ATOM   1043 C  CE2  . PHE A 1 69  ? 5.21232   -17.00917 8.05959  1.000 10.23759 ? 65  PHE A CE2  1 
ATOM   1044 C  CZ   . PHE A 1 69  ? 4.98495   -17.95168 9.01770  1.000 11.10741 ? 65  PHE A CZ   1 
ATOM   1045 H  H    . PHE A 1 69  ? -0.37592  -15.00725 6.43924  1.000 8.90896  ? 65  PHE A H    1 
ATOM   1046 H  HA   . PHE A 1 69  ? 0.65351   -15.46962 8.78028  1.000 8.64347  ? 65  PHE A HA   1 
ATOM   1047 H  HB2  . PHE A 1 69  ? 1.04460   -16.76943 6.81584  1.000 12.01894 ? 65  PHE A HB2  1 
ATOM   1048 H  HB3  . PHE A 1 69  ? 1.99718   -15.61021 6.29219  1.000 12.01894 ? 65  PHE A HB3  1 
ATOM   1049 H  HD1  . PHE A 1 69  ? 1.75824   -17.90241 8.98812  1.000 10.66044 ? 65  PHE A HD1  1 
ATOM   1050 H  HD2  . PHE A 1 69  ? 4.29820   -15.72714 6.79722  1.000 13.10051 ? 65  PHE A HD2  1 
ATOM   1051 H  HE1  . PHE A 1 69  ? 3.54733   -18.96234 9.99784  1.000 12.67090 ? 65  PHE A HE1  1 
ATOM   1052 H  HE2  . PHE A 1 69  ? 6.08353   -16.78803 7.82086  1.000 12.30868 ? 65  PHE A HE2  1 
ATOM   1053 H  HZ   . PHE A 1 69  ? 5.70368   -18.35935 9.44448  1.000 13.35246 ? 65  PHE A HZ   1 
ATOM   1054 N  N    . GLU A 1 70  ? 1.93964   -12.94617 7.30915  1.000 8.53456  ? 66  GLU A N    1 
ATOM   1055 C  CA   . GLU A 1 70  ? 2.74213   -11.76201 7.56600  1.000 8.19843  ? 66  GLU A CA   1 
ATOM   1056 C  C    . GLU A 1 70  ? 2.01372   -10.77072 8.46170  1.000 10.12169 ? 66  GLU A C    1 
ATOM   1057 O  O    . GLU A 1 70  ? 2.58558   -10.24190 9.42529  1.000 9.96561  ? 66  GLU A O    1 
ATOM   1058 C  CB   . GLU A 1 70  ? 3.15073   -11.07547 6.26378  1.000 9.75148  ? 66  GLU A CB   1 
ATOM   1059 C  CG   . GLU A 1 70  ? 4.06511   -9.88047  6.57016  1.000 14.78780 ? 66  GLU A CG   1 
ATOM   1060 C  CD   . GLU A 1 70  ? 4.72316   -9.22750  5.38741  1.000 14.35460 ? 66  GLU A CD   1 
ATOM   1061 O  OE1  . GLU A 1 70  ? 4.51923   -9.68800  4.24959  1.000 13.98196 ? 66  GLU A OE1  1 
ATOM   1062 O  OE2  . GLU A 1 70  ? 5.45743   -8.23028  5.60946  1.000 16.49736 ? 66  GLU A OE2  1 
ATOM   1063 H  H    . GLU A 1 70  ? 1.59433   -12.98372 6.52242  1.000 10.26504 ? 66  GLU A H    1 
ATOM   1064 H  HA   . GLU A 1 70  ? 3.54870   -12.05590 8.01763  1.000 9.86169  ? 66  GLU A HA   1 
ATOM   1065 H  HB2  . GLU A 1 70  ? 3.63255   -11.70178 5.70121  1.000 11.72534 ? 66  GLU A HB2  1 
ATOM   1066 H  HB3  . GLU A 1 70  ? 2.36067   -10.75433 5.80163  1.000 11.72534 ? 66  GLU A HB3  1 
ATOM   1067 H  HG2  . GLU A 1 70  ? 3.53509   -9.19961  7.01334  1.000 17.76893 ? 66  GLU A HG2  1 
ATOM   1068 H  HG3  . GLU A 1 70  ? 4.77368   -10.18460 7.15867  1.000 17.76893 ? 66  GLU A HG3  1 
ATOM   1069 N  N    . TYR A 1 71  ? 0.76587   -10.47693 8.13223  1.000 8.89094  ? 67  TYR A N    1 
ATOM   1070 C  CA   . TYR A 1 71  ? -0.01698  -9.53385  8.91830  1.000 7.15143  ? 67  TYR A CA   1 
ATOM   1071 C  C    . TYR A 1 71  ? -0.02416  -9.91242  10.39671 1.000 7.84590  ? 67  TYR A C    1 
ATOM   1072 O  O    . TYR A 1 71  ? 0.15342   -9.05437  11.27277 1.000 10.03815 ? 67  TYR A O    1 
ATOM   1073 C  CB   . TYR A 1 71  ? -1.45378  -9.50130  8.39713  1.000 8.55891  ? 67  TYR A CB   1 
ATOM   1074 C  CG   . TYR A 1 71  ? -2.43650  -8.62371  9.13601  1.000 8.19738  ? 67  TYR A CG   1 
ATOM   1075 C  CD1  . TYR A 1 71  ? -2.27711  -7.28507  9.20124  1.000 9.08773  ? 67  TYR A CD1  1 
ATOM   1076 C  CD2  . TYR A 1 71  ? -3.56628  -9.17136  9.70743  1.000 8.97279  ? 67  TYR A CD2  1 
ATOM   1077 C  CE1  . TYR A 1 71  ? -3.20893  -6.48023  9.82761  1.000 9.12513  ? 67  TYR A CE1  1 
ATOM   1078 C  CE2  . TYR A 1 71  ? -4.53253  -8.37476  10.33549 1.000 8.58918  ? 67  TYR A CE2  1 
ATOM   1079 C  CZ   . TYR A 1 71  ? -4.33461  -7.02960  10.40475 1.000 8.11167  ? 67  TYR A CZ   1 
ATOM   1080 O  OH   . TYR A 1 71  ? -5.23271  -6.14939  10.99238 1.000 9.54317  ? 67  TYR A OH   1 
ATOM   1081 H  H    . TYR A 1 71  ? 0.34528   -10.80765 7.45893  1.000 10.69270 ? 67  TYR A H    1 
ATOM   1082 H  HA   . TYR A 1 71  ? 0.37895   -8.65324  8.82516  1.000 8.60528  ? 67  TYR A HA   1 
ATOM   1083 H  HB2  . TYR A 1 71  ? -1.43135  -9.18770  7.47950  1.000 10.29425 ? 67  TYR A HB2  1 
ATOM   1084 H  HB3  . TYR A 1 71  ? -1.80382  -10.40533 8.43031  1.000 10.29425 ? 67  TYR A HB3  1 
ATOM   1085 H  HD1  . TYR A 1 71  ? -1.52470  -6.89661  8.81670  1.000 10.92884 ? 67  TYR A HD1  1 
ATOM   1086 H  HD2  . TYR A 1 71  ? -3.68964  -10.09257 9.67492  1.000 10.79091 ? 67  TYR A HD2  1 
ATOM   1087 H  HE1  . TYR A 1 71  ? -3.07606  -5.56035  9.86037  1.000 10.97372 ? 67  TYR A HE1  1 
ATOM   1088 H  HE2  . TYR A 1 71  ? -5.29730  -8.75890  10.69945 1.000 10.33058 ? 67  TYR A HE2  1 
ATOM   1089 H  HH   . TYR A 1 71  ? -5.97071  -6.53133  11.11520 1.000 11.47537 ? 67  TYR A HH   1 
ATOM   1090 N  N    . LEU A 1 72  ? -0.30787  -11.18554 10.69817 1.000 10.14940 ? 68  LEU A N    1 
ATOM   1091 C  CA   . LEU A 1 72  ? -0.52834  -11.55896 12.09242 1.000 9.45210  ? 68  LEU A CA   1 
ATOM   1092 C  C    . LEU A 1 72  ? 0.76482   -11.59404 12.90382 1.000 11.04759 ? 68  LEU A C    1 
ATOM   1093 O  O    . LEU A 1 72  ? 0.69713   -11.59477 14.13727 1.000 11.07048 ? 68  LEU A O    1 
ATOM   1094 C  CB   . LEU A 1 72  ? -1.29951  -12.88747 12.14626 1.000 9.85263  ? 68  LEU A CB   1 
ATOM   1095 C  CG   . LEU A 1 72  ? -2.70478  -12.82016 11.55600 1.000 9.57158  ? 68  LEU A CG   1 
ATOM   1096 C  CD1  . LEU A 1 72  ? -3.31557  -14.20262 11.52216 1.000 11.78459 ? 68  LEU A CD1  1 
ATOM   1097 C  CD2  . LEU A 1 72  ? -3.62824  -11.87257 12.32102 1.000 12.00244 ? 68  LEU A CD2  1 
ATOM   1098 H  H    . LEU A 1 72  ? -0.37538  -11.82801 10.13046 1.000 12.20284 ? 68  LEU A H    1 
ATOM   1099 H  HA   . LEU A 1 72  ? -1.09064  -10.90176 12.53152 1.000 11.36609 ? 68  LEU A HA   1 
ATOM   1100 H  HB2  . LEU A 1 72  ? -0.80199  -13.55435 11.64762 1.000 11.84672 ? 68  LEU A HB2  1 
ATOM   1101 H  HB3  . LEU A 1 72  ? -1.38204  -13.15985 13.07357 1.000 11.84672 ? 68  LEU A HB3  1 
ATOM   1102 H  HG   . LEU A 1 72  ? -2.62418  -12.46880 10.65547 1.000 11.50946 ? 68  LEU A HG   1 
ATOM   1103 H  HD11 . LEU A 1 72  ? -4.20769  -14.14459 11.14579 1.000 14.16507 ? 68  LEU A HD11 1 
ATOM   1104 H  HD12 . LEU A 1 72  ? -2.76170  -14.77921 10.97291 1.000 14.16507 ? 68  LEU A HD12 1 
ATOM   1105 H  HD13 . LEU A 1 72  ? -3.36009  -14.55043 12.42656 1.000 14.16507 ? 68  LEU A HD13 1 
ATOM   1106 H  HD21 . LEU A 1 72  ? -4.50305  -11.87746 11.90201 1.000 14.42649 ? 68  LEU A HD21 1 
ATOM   1107 H  HD22 . LEU A 1 72  ? -3.69990  -12.17490 13.23991 1.000 14.42649 ? 68  LEU A HD22 1 
ATOM   1108 H  HD23 . LEU A 1 72  ? -3.25418  -10.97796 12.29536 1.000 14.42649 ? 68  LEU A HD23 1 
ATOM   1109 N  N    . GLU A 1 73  ? 1.92881   -11.58809 12.26036 1.000 12.04364 ? 69  GLU A N    1 
ATOM   1110 C  CA   . GLU A 1 73  ? 3.17134   -11.44692 13.01143 1.000 10.62964 ? 69  GLU A CA   1 
ATOM   1111 C  C    . GLU A 1 73  ? 3.25970   -10.07428 13.67578 1.000 11.04346 ? 69  GLU A C    1 
ATOM   1112 O  O    . GLU A 1 73  ? 3.78117   -9.94161  14.79351 1.000 12.89887 ? 69  GLU A O    1 
ATOM   1113 C  CB   . GLU A 1 73  ? 4.35987   -11.70721 12.08170 1.000 10.38299 ? 69  GLU A CB   1 
ATOM   1114 C  CG   . GLU A 1 73  ? 5.65333   -12.09085 12.78819 1.000 14.22589 ? 69  GLU A CG   1 
ATOM   1115 C  CD   . GLU A 1 73  ? 6.45807   -10.90759 13.31932 1.000 28.56864 ? 69  GLU A CD   1 
ATOM   1116 O  OE1  . GLU A 1 73  ? 6.33378   -9.77028  12.79287 1.000 24.93937 ? 69  GLU A OE1  1 
ATOM   1117 O  OE2  . GLU A 1 73  ? 7.25263   -11.13143 14.26678 1.000 34.56510 ? 69  GLU A OE2  1 
ATOM   1118 H  H    . GLU A 1 73  ? 2.02726   -11.66228 11.40924 1.000 14.47593 ? 69  GLU A H    1 
ATOM   1119 H  HA   . GLU A 1 73  ? 3.20370   -12.10830 13.72025 1.000 12.77913 ? 69  GLU A HA   1 
ATOM   1120 H  HB2  . GLU A 1 73  ? 4.12829   -12.43418 11.48271 1.000 12.48316 ? 69  GLU A HB2  1 
ATOM   1121 H  HB3  . GLU A 1 73  ? 4.53428   -10.90038 11.57229 1.000 12.48316 ? 69  GLU A HB3  1 
ATOM   1122 H  HG2  . GLU A 1 73  ? 5.43661   -12.65995 13.54322 1.000 17.09464 ? 69  GLU A HG2  1 
ATOM   1123 H  HG3  . GLU A 1 73  ? 6.21744   -12.57100 12.16198 1.000 17.09464 ? 69  GLU A HG3  1 
ATOM   1124 N  N    . ASN A 1 74  ? 2.75761   -9.04201  13.00590 1.000 10.55919 ? 70  ASN A N    1 
ATOM   1125 C  CA   . ASN A 1 74  ? 2.85577   -7.66746  13.47363 1.000 8.71794  ? 70  ASN A CA   1 
ATOM   1126 C  C    . ASN A 1 74  ? 1.88842   -6.81372  12.65171 1.000 9.07297  ? 70  ASN A C    1 
ATOM   1127 O  O    . ASN A 1 74  ? 2.24147   -6.27363  11.58436 1.000 9.66629  ? 70  ASN A O    1 
ATOM   1128 C  CB   . ASN A 1 74  ? 4.28984   -7.16922  13.36000 1.000 11.55948 ? 70  ASN A CB   1 
ATOM   1129 C  CG   . ASN A 1 74  ? 4.48625   -5.81864  13.97947 1.000 16.40223 ? 70  ASN A CG   1 
ATOM   1130 O  OD1  . ASN A 1 74  ? 3.56005   -5.01092  14.05417 1.000 12.64939 ? 70  ASN A OD1  1 
ATOM   1131 N  ND2  . ASN A 1 74  ? 5.70480   -5.54366  14.39588 1.000 23.02180 ? 70  ASN A ND2  1 
ATOM   1132 H  H    . ASN A 1 74  ? 2.34346   -9.11542  12.25578 1.000 12.69460 ? 70  ASN A H    1 
ATOM   1133 H  HA   . ASN A 1 74  ? 2.60882   -7.59743  14.40905 1.000 10.48509 ? 70  ASN A HA   1 
ATOM   1134 H  HB2  . ASN A 1 74  ? 4.87824   -7.79447  13.81139 1.000 13.89495 ? 70  ASN A HB2  1 
ATOM   1135 H  HB3  . ASN A 1 74  ? 4.52913   -7.10647  12.42208 1.000 13.89495 ? 70  ASN A HB3  1 
ATOM   1136 H  HD21 . ASN A 1 74  ? 5.87357   -4.78268  14.75923 1.000 27.64973 ? 70  ASN A HD21 1 
ATOM   1137 H  HD22 . ASN A 1 74  ? 6.33189   -6.12505  14.30449 1.000 27.64973 ? 70  ASN A HD22 1 
ATOM   1138 N  N    . PRO A 1 75  ? 0.63762   -6.68431  13.11314 1.000 7.41725  ? 71  PRO A N    1 
ATOM   1139 C  CA   . PRO A 1 75  ? -0.36747  -6.00993  12.27996 1.000 8.75912  ? 71  PRO A CA   1 
ATOM   1140 C  C    . PRO A 1 75  ? -0.01419  -4.58349  11.89911 1.000 8.99081  ? 71  PRO A C    1 
ATOM   1141 O  O    . PRO A 1 75  ? -0.22902  -4.18429  10.73651 1.000 8.75646  ? 71  PRO A O    1 
ATOM   1142 C  CB   . PRO A 1 75  ? -1.64565  -6.11280  13.11922 1.000 11.29463 ? 71  PRO A CB   1 
ATOM   1143 C  CG   . PRO A 1 75  ? -1.45864  -7.43011  13.86057 1.000 11.36488 ? 71  PRO A CG   1 
ATOM   1144 C  CD   . PRO A 1 75  ? 0.01573   -7.50060  14.17528 1.000 11.11982 ? 71  PRO A CD   1 
ATOM   1145 H  HA   . PRO A 1 75  ? -0.49351  -6.51197  11.45961 1.000 10.53450 ? 71  PRO A HA   1 
ATOM   1146 H  HB2  . PRO A 1 75  ? -1.70834  -5.36523  13.73412 1.000 13.57712 ? 71  PRO A HB2  1 
ATOM   1147 H  HB3  . PRO A 1 75  ? -2.42706  -6.13648  12.54499 1.000 13.57712 ? 71  PRO A HB3  1 
ATOM   1148 H  HG2  . PRO A 1 75  ? -1.98647  -7.42847  14.67439 1.000 13.66142 ? 71  PRO A HG2  1 
ATOM   1149 H  HG3  . PRO A 1 75  ? -1.72694  -8.16927  13.29262 1.000 13.66142 ? 71  PRO A HG3  1 
ATOM   1150 H  HD2  . PRO A 1 75  ? 0.19906   -7.12413  15.05024 1.000 13.36735 ? 71  PRO A HD2  1 
ATOM   1151 H  HD3  . PRO A 1 75  ? 0.33259   -8.41651  14.13519 1.000 13.36735 ? 71  PRO A HD3  1 
ATOM   1152 N  N    . LYS A 1 76  ? 0.51170   -3.80647  12.83788 1.000 10.46881 ? 72  LYS A N    1 
ATOM   1153 C  CA   . LYS A 1 76  ? 0.76512   -2.39415  12.56702 1.000 10.87659 ? 72  LYS A CA   1 
ATOM   1154 C  C    . LYS A 1 76  ? 1.91581   -2.19935  11.59048 1.000 12.39177 ? 72  LYS A C    1 
ATOM   1155 O  O    . LYS A 1 76  ? 1.96301   -1.18831  10.89027 1.000 12.51089 ? 72  LYS A O    1 
ATOM   1156 C  CB   . LYS A 1 76  ? 1.05835   -1.65307  13.87164 1.000 15.67703 ? 72  LYS A CB   1 
ATOM   1157 C  CG   . LYS A 1 76  ? -0.16849  -1.28190  14.68976 1.000 33.00529 ? 72  LYS A CG   1 
ATOM   1158 C  CD   . LYS A 1 76  ? 0.23967   -0.63625  16.02626 1.000 37.97755 ? 72  LYS A CD   1 
ATOM   1159 C  CE   . LYS A 1 76  ? 1.27534   0.48346   15.85111 1.000 41.24770 ? 72  LYS A CE   1 
ATOM   1160 N  NZ   . LYS A 1 76  ? 1.43161   1.33369   17.07147 1.000 51.15087 ? 72  LYS A NZ   1 
ATOM   1161 H  H    . LYS A 1 76  ? 0.72917   -4.06365  13.62919 1.000 12.58613 ? 72  LYS A H    1 
ATOM   1162 H  HA   . LYS A 1 76  ? -0.03319  -2.01147  12.17060 1.000 13.07548 ? 72  LYS A HA   1 
ATOM   1163 H  HB2  . LYS A 1 76  ? 1.61789   -2.21848  14.42674 1.000 18.83600 ? 72  LYS A HB2  1 
ATOM   1164 H  HB3  . LYS A 1 76  ? 1.52582   -0.83021  13.65884 1.000 18.83600 ? 72  LYS A HB3  1 
ATOM   1165 H  HG2  . LYS A 1 76  ? -0.70865  -0.64706  14.19366 1.000 39.62992 ? 72  LYS A HG2  1 
ATOM   1166 H  HG3  . LYS A 1 76  ? -0.68530  -2.08062  14.87906 1.000 39.62992 ? 72  LYS A HG3  1 
ATOM   1167 H  HD2  . LYS A 1 76  ? -0.54660  -0.25430  16.44673 1.000 45.59662 ? 72  LYS A HD2  1 
ATOM   1168 H  HD3  . LYS A 1 76  ? 0.62647   -1.31520  16.60098 1.000 45.59662 ? 72  LYS A HD3  1 
ATOM   1169 H  HE2  . LYS A 1 76  ? 2.13767   0.08664   15.65155 1.000 49.52081 ? 72  LYS A HE2  1 
ATOM   1170 H  HE3  . LYS A 1 76  ? 0.99757   1.05813   15.12070 1.000 49.52081 ? 72  LYS A HE3  1 
ATOM   1171 H  HZ1  . LYS A 1 76  ? 1.76227   0.84842   17.74025 1.000 61.40461 ? 72  LYS A HZ1  1 
ATOM   1172 H  HZ2  . LYS A 1 76  ? 1.98620   2.00907   16.90295 1.000 61.40461 ? 72  LYS A HZ2  1 
ATOM   1173 H  HZ3  . LYS A 1 76  ? 0.64177   1.66276   17.31638 1.000 61.40461 ? 72  LYS A HZ3  1 
ATOM   1174 N  N    . LYS A 1 77  ? 2.86017   -3.13739  11.54586 1.000 9.34800  ? 73  LYS A N    1 
ATOM   1175 C  CA   . LYS A 1 77  ? 3.92634   -3.07563  10.55480 1.000 10.58666 ? 73  LYS A CA   1 
ATOM   1176 C  C    . LYS A 1 77  ? 3.36972   -3.29760  9.16279  1.000 9.32495  ? 73  LYS A C    1 
ATOM   1177 O  O    . LYS A 1 77  ? 3.80188   -2.65190  8.20962  1.000 10.30457 ? 73  LYS A O    1 
ATOM   1178 C  CB   . LYS A 1 77  ? 4.95153   -4.15751  10.88894 1.000 15.67114 ? 73  LYS A CB   1 
ATOM   1179 C  CG   . LYS A 1 77  ? 6.29136   -4.12371  10.21665 1.000 34.63413 ? 73  LYS A CG   1 
ATOM   1180 C  CD   . LYS A 1 77  ? 7.16573   -5.25588  10.80807 1.000 30.61561 ? 73  LYS A CD   1 
ATOM   1181 C  CE   . LYS A 1 77  ? 8.56606   -5.30478  10.20771 1.000 51.33179 ? 73  LYS A CE   1 
ATOM   1182 N  NZ   . LYS A 1 77  ? 9.34533   -6.48965  10.66790 1.000 50.17268 ? 73  LYS A NZ   1 
ATOM   1183 H  H    . LYS A 1 77  ? 2.90697   -3.81501  12.07335 1.000 11.24117 ? 73  LYS A H    1 
ATOM   1184 H  HA   . LYS A 1 77  ? 4.35677   -2.20661  10.57545 1.000 12.72755 ? 73  LYS A HA   1 
ATOM   1185 H  HB2  . LYS A 1 77  ? 5.12315   -4.11125  11.84252 1.000 18.82894 ? 73  LYS A HB2  1 
ATOM   1186 H  HB3  . LYS A 1 77  ? 4.55477   -5.01371  10.66442 1.000 18.82894 ? 73  LYS A HB3  1 
ATOM   1187 H  HG2  . LYS A 1 77  ? 6.18873   -4.26718  9.26282  1.000 41.58452 ? 73  LYS A HG2  1 
ATOM   1188 H  HG3  . LYS A 1 77  ? 6.72378   -3.27078  10.37921 1.000 41.58452 ? 73  LYS A HG3  1 
ATOM   1189 H  HD2  . LYS A 1 77  ? 7.25577   -5.11805  11.76400 1.000 36.76230 ? 73  LYS A HD2  1 
ATOM   1190 H  HD3  . LYS A 1 77  ? 6.73704   -6.10857  10.63475 1.000 36.76230 ? 73  LYS A HD3  1 
ATOM   1191 H  HE2  . LYS A 1 77  ? 8.49525   -5.34863  9.24129  1.000 61.62172 ? 73  LYS A HE2  1 
ATOM   1192 H  HE3  . LYS A 1 77  ? 9.05099   -4.50634  10.46894 1.000 61.62172 ? 73  LYS A HE3  1 
ATOM   1193 H  HZ1  . LYS A 1 77  ? 10.15426  -6.48479  10.29681 1.000 60.23079 ? 73  LYS A HZ1  1 
ATOM   1194 H  HZ2  . LYS A 1 77  ? 9.43361   -6.47075  11.55331 1.000 60.23079 ? 73  LYS A HZ2  1 
ATOM   1195 H  HZ3  . LYS A 1 77  ? 8.92542   -7.23914  10.43543 1.000 60.23079 ? 73  LYS A HZ3  1 
ATOM   1196 N  N    . TYR A 1 78  ? 2.38984   -4.19850  9.03851  1.000 8.81299  ? 74  TYR A N    1 
ATOM   1197 C  CA   . TYR A 1 78  ? 1.80767   -4.54134  7.73683  1.000 7.94134  ? 74  TYR A CA   1 
ATOM   1198 C  C    . TYR A 1 78  ? 0.80474   -3.49160  7.25349  1.000 9.30243  ? 74  TYR A C    1 
ATOM   1199 O  O    . TYR A 1 78  ? 0.78002   -3.14571  6.05957  1.000 10.57634 ? 74  TYR A O    1 
ATOM   1200 C  CB   . TYR A 1 78  ? 1.11147   -5.89935  7.81042  1.000 8.17752  ? 74  TYR A CB   1 
ATOM   1201 C  CG   . TYR A 1 78  ? 0.87760   -6.56364  6.47877  1.000 7.83697  ? 74  TYR A CG   1 
ATOM   1202 C  CD1  . TYR A 1 78  ? 1.94400   -6.98570  5.69987  1.000 11.37650 ? 74  TYR A CD1  1 
ATOM   1203 C  CD2  . TYR A 1 78  ? -0.41288  -6.87288  6.05124  1.000 9.30005  ? 74  TYR A CD2  1 
ATOM   1204 C  CE1  . TYR A 1 78  ? 1.71350   -7.65178  4.49019  1.000 11.65949 ? 74  TYR A CE1  1 
ATOM   1205 C  CE2  . TYR A 1 78  ? -0.65044  -7.51804  4.86090  1.000 9.21604  ? 74  TYR A CE2  1 
ATOM   1206 C  CZ   . TYR A 1 78  ? 0.41166   -7.92734  4.09526  1.000 11.13193 ? 74  TYR A CZ   1 
ATOM   1207 O  OH   . TYR A 1 78  ? 0.18243   -8.60881  2.91712  1.000 10.43472 ? 74  TYR A OH   1 
ATOM   1208 H  H    . TYR A 1 78  ? 2.04026   -4.62978  9.69532  1.000 10.59915 ? 74  TYR A H    1 
ATOM   1209 H  HA   . TYR A 1 78  ? 2.53319   -4.59084  7.09489  1.000 9.55317  ? 74  TYR A HA   1 
ATOM   1210 H  HB2  . TYR A 1 78  ? 1.65938   -6.49754  8.34228  1.000 9.83659  ? 74  TYR A HB2  1 
ATOM   1211 H  HB3  . TYR A 1 78  ? 0.24622   -5.77903  8.23205  1.000 9.83659  ? 74  TYR A HB3  1 
ATOM   1212 H  HD1  . TYR A 1 78  ? 2.81564   -6.82579  5.98195  1.000 13.67537 ? 74  TYR A HD1  1 
ATOM   1213 H  HD2  . TYR A 1 78  ? -1.13468  -6.63553  6.58750  1.000 11.18363 ? 74  TYR A HD2  1 
ATOM   1214 H  HE1  . TYR A 1 78  ? 2.42884   -7.90825  3.95408  1.000 14.01495 ? 74  TYR A HE1  1 
ATOM   1215 H  HE2  . TYR A 1 78  ? -1.52214  -7.67540  4.57758  1.000 11.08282 ? 74  TYR A HE2  1 
ATOM   1216 H  HH   . TYR A 1 78  ? 0.91141   -8.86107  2.58463  1.000 12.54524 ? 74  TYR A HH   1 
ATOM   1217 N  N    . ILE A 1 79  ? -0.01030  -2.96557  8.14872  1.000 9.06767  ? 75  ILE A N    1 
ATOM   1218 C  CA   . ILE A 1 79  ? -0.98224  -1.92391  7.81003  1.000 8.14316  ? 75  ILE A CA   1 
ATOM   1219 C  C    . ILE A 1 79  ? -0.78632  -0.77297  8.79294  1.000 8.03859  ? 75  ILE A C    1 
ATOM   1220 O  O    . ILE A 1 79  ? -1.49087  -0.68759  9.80601  1.000 9.30621  ? 75  ILE A O    1 
ATOM   1221 C  CB   . ILE A 1 79  ? -2.41948  -2.48273  7.78128  1.000 8.57887  ? 75  ILE A CB   1 
ATOM   1222 C  CG1  . ILE A 1 79  ? -2.51206  -3.71750  6.88131  1.000 8.82674  ? 75  ILE A CG1  1 
ATOM   1223 C  CG2  . ILE A 1 79  ? -3.36863  -1.38589  7.33089  1.000 10.75658 ? 75  ILE A CG2  1 
ATOM   1224 C  CD1  . ILE A 1 79  ? -3.91294  -4.27261  6.72157  1.000 9.49938  ? 75  ILE A CD1  1 
ATOM   1225 H  H    . ILE A 1 79  ? -0.02542  -3.19509  8.97739  1.000 10.90478 ? 75  ILE A H    1 
ATOM   1226 H  HA   . ILE A 1 79  ? -0.81658  -1.57507  6.92022  1.000 9.79535  ? 75  ILE A HA   1 
ATOM   1227 H  HB   . ILE A 1 79  ? -2.67024  -2.76891  8.67354  1.000 10.31821 ? 75  ILE A HB   1 
ATOM   1228 H  HG12 . ILE A 1 79  ? -2.18766  -3.48157  5.99813  1.000 10.61566 ? 75  ILE A HG12 1 
ATOM   1229 H  HG13 . ILE A 1 79  ? -1.96018  -4.41906  7.26098  1.000 10.61566 ? 75  ILE A HG13 1 
ATOM   1230 H  HG21 . ILE A 1 79  ? -4.26096  -1.75627  7.24447  1.000 12.93147 ? 75  ILE A HG21 1 
ATOM   1231 H  HG22 . ILE A 1 79  ? -3.36767  -0.67623  7.99216  1.000 12.93147 ? 75  ILE A HG22 1 
ATOM   1232 H  HG23 . ILE A 1 79  ? -3.06933  -1.04100  6.47511  1.000 12.93147 ? 75  ILE A HG23 1 
ATOM   1233 H  HD11 . ILE A 1 79  ? -3.86284  -5.13300  6.27646  1.000 11.42282 ? 75  ILE A HD11 1 
ATOM   1234 H  HD12 . ILE A 1 79  ? -4.31326  -4.37690  7.59894  1.000 11.42282 ? 75  ILE A HD12 1 
ATOM   1235 H  HD13 . ILE A 1 79  ? -4.43859  -3.65501  6.18944  1.000 11.42282 ? 75  ILE A HD13 1 
ATOM   1236 N  N    . PRO A 1 80  ? 0.20594   0.08600   8.58383  1.000 9.83311  ? 76  PRO A N    1 
ATOM   1237 C  CA   . PRO A 1 80  ? 0.42012   1.19306   9.52036  1.000 8.70258  ? 76  PRO A CA   1 
ATOM   1238 C  C    . PRO A 1 80  ? -0.84466  2.02239   9.66551  1.000 8.75182  ? 76  PRO A C    1 
ATOM   1239 O  O    . PRO A 1 80  ? -1.51130  2.36176   8.68641  1.000 10.62535 ? 76  PRO A O    1 
ATOM   1240 C  CB   . PRO A 1 80  ? 1.55710   1.97460   8.86892  1.000 9.98117  ? 76  PRO A CB   1 
ATOM   1241 C  CG   . PRO A 1 80  ? 2.33719   0.90215   8.06569  1.000 9.95963  ? 76  PRO A CG   1 
ATOM   1242 C  CD   . PRO A 1 80  ? 1.29323   -0.05950  7.59766  1.000 10.01957 ? 76  PRO A CD   1 
ATOM   1243 H  HA   . PRO A 1 80  ? 0.70330   0.87677   10.39253 1.000 10.46667 ? 76  PRO A HA   1 
ATOM   1244 H  HB2  . PRO A 1 80  ? 1.19896   2.65989   8.28324  1.000 12.00097 ? 76  PRO A HB2  1 
ATOM   1245 H  HB3  . PRO A 1 80  ? 2.11726   2.37944   9.54953  1.000 12.00097 ? 76  PRO A HB3  1 
ATOM   1246 H  HG2  . PRO A 1 80  ? 2.79042   1.31557   7.31432  1.000 11.97513 ? 76  PRO A HG2  1 
ATOM   1247 H  HG3  . PRO A 1 80  ? 2.98231   0.46169   8.64077  1.000 11.97513 ? 76  PRO A HG3  1 
ATOM   1248 H  HD2  . PRO A 1 80  ? 0.98369   0.17663   6.70922  1.000 12.04704 ? 76  PRO A HD2  1 
ATOM   1249 H  HD3  . PRO A 1 80  ? 1.63765   -0.96629  7.59887  1.000 12.04704 ? 76  PRO A HD3  1 
ATOM   1250 N  N    . GLY A 1 81  ? -1.20751  2.29171   10.90856 1.000 10.62418 ? 77  GLY A N    1 
ATOM   1251 C  CA   . GLY A 1 81  ? -2.40484  3.03622   11.19998 1.000 9.87545  ? 77  GLY A CA   1 
ATOM   1252 C  C    . GLY A 1 81  ? -3.64434  2.19019   11.40542 1.000 10.90810 ? 77  GLY A C    1 
ATOM   1253 O  O    . GLY A 1 81  ? -4.69586  2.73973   11.75063 1.000 11.79274 ? 77  GLY A O    1 
ATOM   1254 H  H    . GLY A 1 81  ? -0.76648  2.04791   11.60545 1.000 12.77259 ? 77  GLY A H    1 
ATOM   1255 H  HA2  . GLY A 1 81  ? -2.26099  3.55214   12.00870 1.000 11.87410 ? 77  GLY A HA2  1 
ATOM   1256 H  HA3  . GLY A 1 81  ? -2.57966  3.64406   10.46453 1.000 11.87410 ? 77  GLY A HA3  1 
ATOM   1257 N  N    . THR A 1 82  ? -3.57540  0.87350   11.21728 1.000 10.04009 ? 78  THR A N    1 
ATOM   1258 C  CA   . THR A 1 82  ? -4.77568  0.07122   11.43819 1.000 8.70295  ? 78  THR A CA   1 
ATOM   1259 C  C    . THR A 1 82  ? -5.27403  0.23194   12.86466 1.000 8.43729  ? 78  THR A C    1 
ATOM   1260 O  O    . THR A 1 82  ? -4.49550  0.44497   13.80448 1.000 12.76500 ? 78  THR A O    1 
ATOM   1261 C  CB   . THR A 1 82  ? -4.52701  -1.41158  11.11885 1.000 10.78850 ? 78  THR A CB   1 
ATOM   1262 O  OG1  . THR A 1 82  ? -5.75154  -2.17412  11.27142 1.000 10.86109 ? 78  THR A OG1  1 
ATOM   1263 C  CG2  . THR A 1 82  ? -3.43846  -2.00322  12.00187 1.000 11.78020 ? 78  THR A CG2  1 
ATOM   1264 H  H    . THR A 1 82  ? -2.87592  0.43730   10.97220 1.000 12.07167 ? 78  THR A H    1 
ATOM   1265 H  HA   . THR A 1 82  ? -5.47145  0.37986   10.83690 1.000 10.46711 ? 78  THR A HA   1 
ATOM   1266 H  HB   . THR A 1 82  ? -4.22539  -1.47819  10.19934 1.000 12.96977 ? 78  THR A HB   1 
ATOM   1267 H  HG1  . THR A 1 82  ? -6.35236  -1.85433  10.77913 1.000 13.05687 ? 78  THR A HG1  1 
ATOM   1268 H  HG21 . THR A 1 82  ? -3.27659  -2.92718  11.75487 1.000 14.15980 ? 78  THR A HG21 1 
ATOM   1269 H  HG22 . THR A 1 82  ? -2.61575  -1.50036  11.89620 1.000 14.15980 ? 78  THR A HG22 1 
ATOM   1270 H  HG23 . THR A 1 82  ? -3.71094  -1.96918  12.93219 1.000 14.15980 ? 78  THR A HG23 1 
ATOM   1271 N  N    . LYS A 1 83  ? -6.59576  0.11576   12.99941 1.000 9.14195  ? 79  LYS A N    1 
ATOM   1272 C  CA   . LYS A 1 83  ? -7.23988  0.21975   14.29096 1.000 8.14554  ? 79  LYS A CA   1 
ATOM   1273 C  C    . LYS A 1 83  ? -7.15118  -1.06326  15.09236 1.000 11.25383 ? 79  LYS A C    1 
ATOM   1274 O  O    . LYS A 1 83  ? -7.48438  -1.05614  16.27842 1.000 14.79867 ? 79  LYS A O    1 
ATOM   1275 C  CB   . LYS A 1 83  ? -8.72584  0.58998   14.12325 1.000 14.93006 ? 79  LYS A CB   1 
ATOM   1276 C  CG   . LYS A 1 83  ? -9.54461  0.59385   15.40850 1.000 17.97267 ? 79  LYS A CG   1 
ATOM   1277 C  CD   . LYS A 1 83  ? -10.99537 0.98986   15.17309 1.000 18.34810 ? 79  LYS A CD   1 
ATOM   1278 C  CE   . LYS A 1 83  ? -11.73894 0.94443   16.52262 1.000 26.53142 ? 79  LYS A CE   1 
ATOM   1279 N  NZ   . LYS A 1 83  ? -13.10395 1.50882   16.44489 1.000 33.94492 ? 79  LYS A NZ   1 
ATOM   1280 H  H    . LYS A 1 83  ? -7.13929  -0.02465  12.34790 1.000 10.99390 ? 79  LYS A H    1 
ATOM   1281 H  HA   . LYS A 1 83  ? -6.80481  0.92947   14.78886 1.000 9.79822  ? 79  LYS A HA   1 
ATOM   1282 H  HB2  . LYS A 1 83  ? -8.77809  1.48119   13.74389 1.000 17.93964 ? 79  LYS A HB2  1 
ATOM   1283 H  HB3  . LYS A 1 83  ? -9.13479  -0.05133  13.52127 1.000 17.93964 ? 79  LYS A HB3  1 
ATOM   1284 H  HG2  . LYS A 1 83  ? -9.53461  -0.29616  15.79409 1.000 21.59077 ? 79  LYS A HG2  1 
ATOM   1285 H  HG3  . LYS A 1 83  ? -9.15657  1.22919   16.03033 1.000 21.59077 ? 79  LYS A HG3  1 
ATOM   1286 H  HD2  . LYS A 1 83  ? -11.04071 1.89049   14.81574 1.000 22.04128 ? 79  LYS A HD2  1 
ATOM   1287 H  HD3  . LYS A 1 83  ? -11.41467 0.36755   14.55842 1.000 22.04128 ? 79  LYS A HD3  1 
ATOM   1288 H  HE2  . LYS A 1 83  ? -11.81255 0.02153   16.81201 1.000 31.86127 ? 79  LYS A HE2  1 
ATOM   1289 H  HE3  . LYS A 1 83  ? -11.23926 1.45823   17.17625 1.000 31.86127 ? 79  LYS A HE3  1 
ATOM   1290 H  HZ1  . LYS A 1 83  ? -13.06359 2.37916   16.26332 1.000 40.75747 ? 79  LYS A HZ1  1 
ATOM   1291 H  HZ2  . LYS A 1 83  ? -13.56589 1.10092   15.80276 1.000 40.75747 ? 79  LYS A HZ2  1 
ATOM   1292 H  HZ3  . LYS A 1 83  ? -13.52510 1.39482   17.22061 1.000 40.75747 ? 79  LYS A HZ3  1 
ATOM   1293 N  N    . MET A 1 84  ? -6.72429  -2.15736  14.47981 1.000 9.06820  ? 80  MET A N    1 
ATOM   1294 C  CA   . MET A 1 84  ? -6.57868  -3.40755  15.21817 1.000 10.00191 ? 80  MET A CA   1 
ATOM   1295 C  C    . MET A 1 84  ? -5.42854  -3.28243  16.21623 1.000 13.69215 ? 80  MET A C    1 
ATOM   1296 O  O    . MET A 1 84  ? -4.28180  -3.03998  15.82858 1.000 11.79278 ? 80  MET A O    1 
ATOM   1297 C  CB   . MET A 1 84  ? -6.28314  -4.53676  14.23612 1.000 9.20954  ? 80  MET A CB   1 
ATOM   1298 C  CG   . MET A 1 84  ? -6.00828  -5.86046  14.90748 1.000 8.92232  ? 80  MET A CG   1 
ATOM   1299 S  SD   . MET A 1 84  ? -6.31477  -7.23318  13.77598 1.000 7.91027  ? 80  MET A SD   1 
ATOM   1300 C  CE   . MET A 1 84  ? -5.03904  -8.39261  14.29603 1.000 9.50363  ? 80  MET A CE   1 
ATOM   1301 H  H    . MET A 1 84  ? -6.51395  -2.20514  13.64729 1.000 10.90541 ? 80  MET A H    1 
ATOM   1302 H  HA   . MET A 1 84  ? -7.40218  -3.60250  15.69223 1.000 12.02585 ? 80  MET A HA   1 
ATOM   1303 H  HB2  . MET A 1 84  ? -7.04934  -4.65263  13.65268 1.000 11.07502 ? 80  MET A HB2  1 
ATOM   1304 H  HB3  . MET A 1 84  ? -5.50094  -4.30027  13.71350 1.000 11.07502 ? 80  MET A HB3  1 
ATOM   1305 H  HG2  . MET A 1 84  ? -5.08025  -5.89404  15.18772 1.000 10.73035 ? 80  MET A HG2  1 
ATOM   1306 H  HG3  . MET A 1 84  ? -6.59090  -5.95975  15.67663 1.000 10.73035 ? 80  MET A HG3  1 
ATOM   1307 H  HE1  . MET A 1 84  ? -5.22135  -9.26021  13.90240 1.000 11.42792 ? 80  MET A HE1  1 
ATOM   1308 H  HE2  . MET A 1 84  ? -4.17576  -8.06792  13.99565 1.000 11.42792 ? 80  MET A HE2  1 
ATOM   1309 H  HE3  . MET A 1 84  ? -5.04877  -8.45975  15.26365 1.000 11.42792 ? 80  MET A HE3  1 
ATOM   1310 N  N    A ILE A 1 85  ? -5.75121  -3.44170  17.49992 0.305 11.64525 ? 81  ILE A N    1 
ATOM   1311 N  N    B ILE A 1 85  ? -5.72216  -3.41542  17.50299 0.695 11.75998 ? 81  ILE A N    1 
ATOM   1312 C  CA   A ILE A 1 85  ? -4.77636  -3.43301  18.58546 0.305 12.29646 ? 81  ILE A CA   1 
ATOM   1313 C  CA   B ILE A 1 85  ? -4.68672  -3.38406  18.52821 0.695 13.18607 ? 81  ILE A CA   1 
ATOM   1314 C  C    A ILE A 1 85  ? -4.42808  -4.88972  18.87289 0.305 11.86732 ? 81  ILE A C    1 
ATOM   1315 C  C    B ILE A 1 85  ? -4.38729  -4.82849  18.91216 0.695 11.08059 ? 81  ILE A C    1 
ATOM   1316 O  O    A ILE A 1 85  ? -5.21215  -5.62523  19.48097 0.305 8.25989  ? 81  ILE A O    1 
ATOM   1317 O  O    B ILE A 1 85  ? -5.16124  -5.48072  19.62091 0.695 15.47078 ? 81  ILE A O    1 
ATOM   1318 C  CB   A ILE A 1 85  ? -5.32926  -2.74357  19.83384 0.305 10.41075 ? 81  ILE A CB   1 
ATOM   1319 C  CB   B ILE A 1 85  ? -5.07724  -2.51900  19.72167 0.695 11.54651 ? 81  ILE A CB   1 
ATOM   1320 C  CG1  A ILE A 1 85  ? -5.92467  -1.37466  19.49553 0.305 7.80322  ? 81  ILE A CG1  1 
ATOM   1321 C  CG1  B ILE A 1 85  ? -5.19610  -1.05816  19.28426 0.695 17.20671 ? 81  ILE A CG1  1 
ATOM   1322 C  CG2  A ILE A 1 85  ? -4.23542  -2.60760  20.88895 0.305 18.98191 ? 81  ILE A CG2  1 
ATOM   1323 C  CG2  B ILE A 1 85  ? -4.01762  -2.65893  20.81900 0.695 14.27830 ? 81  ILE A CG2  1 
ATOM   1324 C  CD1  A ILE A 1 85  ? -4.91980  -0.38800  18.91340 0.305 14.89475 ? 81  ILE A CD1  1 
ATOM   1325 C  CD1  B ILE A 1 85  ? -5.76906  -0.13928  20.35296 0.695 17.02003 ? 81  ILE A CD1  1 
ATOM   1326 H  H    A ILE A 1 85  ? -6.55825  -3.56036  17.77234 0.305 13.99787 ? 81  ILE A H    1 
ATOM   1327 H  H    B ILE A 1 85  ? -6.51906  -3.52554  17.80700 0.695 14.13555 ? 81  ILE A H    1 
ATOM   1328 H  HA   A ILE A 1 85  ? -3.97734  -2.96552  18.29579 0.305 14.77932 ? 81  ILE A HA   1 
ATOM   1329 H  HA   B ILE A 1 85  ? -3.87548  -2.99987  18.16051 0.695 15.84686 ? 81  ILE A HA   1 
ATOM   1330 H  HB   A ILE A 1 85  ? -6.04295  -3.29631  20.18886 0.305 12.51647 ? 81  ILE A HB   1 
ATOM   1331 H  HB   B ILE A 1 85  ? -5.93519  -2.81245  20.06621 0.695 13.87938 ? 81  ILE A HB   1 
ATOM   1332 H  HG12 A ILE A 1 85  ? -6.63137  -1.49589  18.84225 0.305 9.38743  ? 81  ILE A HG12 1 
ATOM   1333 H  HG12 B ILE A 1 85  ? -4.31303  -0.72921  19.05430 0.695 20.67162 ? 81  ILE A HG12 1 
ATOM   1334 H  HG13 A ILE A 1 85  ? -6.28597  -0.98379  20.30645 0.305 9.38743  ? 81  ILE A HG13 1 
ATOM   1335 H  HG13 B ILE A 1 85  ? -5.77942  -1.01130  18.51067 0.695 20.67162 ? 81  ILE A HG13 1 
ATOM   1336 H  HG21 A ILE A 1 85  ? -4.51953  -1.96459  21.55733 0.305 22.80186 ? 81  ILE A HG21 1 
ATOM   1337 H  HG21 B ILE A 1 85  ? -4.13106  -1.94066  21.46098 0.695 17.15752 ? 81  ILE A HG21 1 
ATOM   1338 H  HG22 A ILE A 1 85  ? -4.08727  -3.47197  21.30345 0.305 22.80186 ? 81  ILE A HG22 1 
ATOM   1339 H  HG22 B ILE A 1 85  ? -4.12962  -3.51628  21.25867 0.695 17.15752 ? 81  ILE A HG22 1 
ATOM   1340 H  HG23 A ILE A 1 85  ? -3.42030  -2.30180  20.46120 0.305 22.80186 ? 81  ILE A HG23 1 
ATOM   1341 H  HG23 B ILE A 1 85  ? -3.13685  -2.60638  20.41605 0.695 17.15752 ? 81  ILE A HG23 1 
ATOM   1342 H  HD11 A ILE A 1 85  ? -5.31855  0.49610   18.89687 0.305 17.89726 ? 81  ILE A HD11 1 
ATOM   1343 H  HD11 B ILE A 1 85  ? -5.91647  0.73895   19.96840 0.695 20.44760 ? 81  ILE A HD11 1 
ATOM   1344 H  HD12 A ILE A 1 85  ? -4.12484  -0.38198  19.46919 0.305 17.89726 ? 81  ILE A HD12 1 
ATOM   1345 H  HD12 B ILE A 1 85  ? -6.60914  -0.50739  20.66866 0.695 20.44760 ? 81  ILE A HD12 1 
ATOM   1346 H  HD13 A ILE A 1 85  ? -4.69127  -0.66469  18.01223 0.305 17.89726 ? 81  ILE A HD13 1 
ATOM   1347 H  HD13 B ILE A 1 85  ? -5.13836  -0.07720  21.08730 0.695 20.44760 ? 81  ILE A HD13 1 
ATOM   1348 N  N    . PHE A 1 86  ? -3.24626  -5.31278  18.43457 1.000 13.98813 ? 82  PHE A N    1 
ATOM   1349 C  CA   . PHE A 1 86  ? -2.78678  -6.67829  18.64064 1.000 12.16437 ? 82  PHE A CA   1 
ATOM   1350 C  C    . PHE A 1 86  ? -1.30187  -6.69675  18.31064 1.000 11.82847 ? 82  PHE A C    1 
ATOM   1351 O  O    . PHE A 1 86  ? -0.91694  -6.40945  17.17612 1.000 14.47612 ? 82  PHE A O    1 
ATOM   1352 C  CB   . PHE A 1 86  ? -3.57810  -7.66060  17.73845 1.000 11.79562 ? 82  PHE A CB   1 
ATOM   1353 C  CG   . PHE A 1 86  ? -3.16174  -9.09975  17.90489 1.000 11.16693 ? 82  PHE A CG   1 
ATOM   1354 C  CD1  . PHE A 1 86  ? -3.55861  -9.81149  19.03053 1.000 14.22481 ? 82  PHE A CD1  1 
ATOM   1355 C  CD2  . PHE A 1 86  ? -2.37754  -9.73048  16.97771 1.000 11.10132 ? 82  PHE A CD2  1 
ATOM   1356 C  CE1  . PHE A 1 86  ? -3.15476  -11.13011 19.20472 1.000 14.90851 ? 82  PHE A CE1  1 
ATOM   1357 C  CE2  . PHE A 1 86  ? -1.97543  -11.03760 17.15514 1.000 12.35553 ? 82  PHE A CE2  1 
ATOM   1358 C  CZ   . PHE A 1 86  ? -2.37047  -11.74149 18.26330 1.000 13.96362 ? 82  PHE A CZ   1 
ATOM   1359 H  H    . PHE A 1 86  ? -2.69485  -4.84807  17.96595 1.000 16.80932 ? 82  PHE A H    1 
ATOM   1360 H  HA   . PHE A 1 86  ? -2.92160  -6.96457  19.55757 1.000 14.62081 ? 82  PHE A HA   1 
ATOM   1361 H  HB2  . PHE A 1 86  ? -4.52070  -7.59687  17.95834 1.000 14.17832 ? 82  PHE A HB2  1 
ATOM   1362 H  HB3  . PHE A 1 86  ? -3.43662  -7.41598  16.81053 1.000 14.17832 ? 82  PHE A HB3  1 
ATOM   1363 H  HD1  . PHE A 1 86  ? -4.09678  -9.40380  19.67012 1.000 17.09334 ? 82  PHE A HD1  1 
ATOM   1364 H  HD2  . PHE A 1 86  ? -2.11123  -9.26983  16.21497 1.000 13.34515 ? 82  PHE A HD2  1 
ATOM   1365 H  HE1  . PHE A 1 86  ? -3.41820  -11.59888 19.96350 1.000 17.91378 ? 82  PHE A HE1  1 
ATOM   1366 H  HE2  . PHE A 1 86  ? -1.43266  -11.44431 16.51883 1.000 14.85020 ? 82  PHE A HE2  1 
ATOM   1367 H  HZ   . PHE A 1 86  ? -2.10803  -12.62671 18.37472 1.000 16.77991 ? 82  PHE A HZ   1 
ATOM   1368 N  N    . ALA A 1 87  ? -0.47228  -7.01343  19.29059 1.000 18.47581 ? 83  ALA A N    1 
ATOM   1369 C  CA   . ALA A 1 87  ? 0.96641   -6.86715  19.07996 1.000 20.04335 ? 83  ALA A CA   1 
ATOM   1370 C  C    . ALA A 1 87  ? 1.49190   -7.84059  18.03201 1.000 16.24451 ? 83  ALA A C    1 
ATOM   1371 O  O    . ALA A 1 87  ? 2.43895   -7.50808  17.30222 1.000 19.74745 ? 83  ALA A O    1 
ATOM   1372 C  CB   . ALA A 1 87  ? 1.70224   -7.04455  20.40406 1.000 23.02937 ? 83  ALA A CB   1 
ATOM   1373 H  H    . ALA A 1 87  ? -0.70174  -7.30679  20.06576 1.000 22.19454 ? 83  ALA A H    1 
ATOM   1374 H  HA   . ALA A 1 87  ? 1.14677   -5.97104  18.75537 1.000 24.07559 ? 83  ALA A HA   1 
ATOM   1375 H  HB1  . ALA A 1 87  ? 2.65464   -7.10531  20.23041 1.000 27.65881 ? 83  ALA A HB1  1 
ATOM   1376 H  HB2  . ALA A 1 87  ? 1.51776   -6.28065  20.97268 1.000 27.65881 ? 83  ALA A HB2  1 
ATOM   1377 H  HB3  . ALA A 1 87  ? 1.39142   -7.85788  20.83159 1.000 27.65881 ? 83  ALA A HB3  1 
ATOM   1378 N  N    . GLY A 1 88  ? 0.88392   -9.02477  17.93420 1.000 13.75734 ? 84  GLY A N    1 
ATOM   1379 C  CA   . GLY A 1 88  ? 1.29859   -10.01975 16.97441 1.000 13.15204 ? 84  GLY A CA   1 
ATOM   1380 C  C    . GLY A 1 88  ? 1.55516   -11.38526 17.57508 1.000 12.37874 ? 84  GLY A C    1 
ATOM   1381 O  O    . GLY A 1 88  ? 1.80932   -11.53090 18.77271 1.000 15.85012 ? 84  GLY A O    1 
ATOM   1382 H  H    . GLY A 1 88  ? 0.22059   -9.27023  18.42343 1.000 16.53238 ? 84  GLY A H    1 
ATOM   1383 H  HA2  . GLY A 1 88  ? 0.60701   -10.11456 16.30089 1.000 15.80602 ? 84  GLY A HA2  1 
ATOM   1384 H  HA3  . GLY A 1 88  ? 2.11706   -9.72259  16.54696 1.000 15.80602 ? 84  GLY A HA3  1 
ATOM   1385 N  N    . LEU A 1 89  ? 1.47021   -12.39983 16.74635 1.000 11.69144 ? 85  LEU A N    1 
ATOM   1386 C  CA   . LEU A 1 89  ? 1.82338   -13.76253 17.10605 1.000 14.56463 ? 85  LEU A CA   1 
ATOM   1387 C  C    . LEU A 1 89  ? 3.17683   -14.03069 16.48730 1.000 14.88479 ? 85  LEU A C    1 
ATOM   1388 O  O    . LEU A 1 89  ? 3.28769   -14.20836 15.26702 1.000 12.64222 ? 85  LEU A O    1 
ATOM   1389 C  CB   . LEU A 1 89  ? 0.81432   -14.73845 16.52648 1.000 15.65920 ? 85  LEU A CB   1 
ATOM   1390 C  CG   . LEU A 1 89  ? -0.55919  -14.76045 17.14950 1.000 20.05369 ? 85  LEU A CG   1 
ATOM   1391 C  CD1  . LEU A 1 89  ? -1.43065  -15.71667 16.34478 1.000 21.10813 ? 85  LEU A CD1  1 
ATOM   1392 C  CD2  . LEU A 1 89  ? -0.45101  -15.20387 18.60699 1.000 21.92712 ? 85  LEU A CD2  1 
ATOM   1393 H  H    . LEU A 1 89  ? 1.19917   -12.32465 15.93365 1.000 14.05329 ? 85  LEU A H    1 
ATOM   1394 H  HA   . LEU A 1 89  ? 1.85261   -13.86131 18.07057 1.000 17.50112 ? 85  LEU A HA   1 
ATOM   1395 H  HB2  . LEU A 1 89  ? 0.69521   -14.52164 15.58855 1.000 18.81461 ? 85  LEU A HB2  1 
ATOM   1396 H  HB3  . LEU A 1 89  ? 1.17929   -15.63265 16.61654 1.000 18.81461 ? 85  LEU A HB3  1 
ATOM   1397 H  HG   . LEU A 1 89  ? -0.96716  -13.88046 17.14084 1.000 24.08800 ? 85  LEU A HG   1 
ATOM   1398 H  HD11 . LEU A 1 89  ? -2.31526  -15.74755 16.74153 1.000 25.35333 ? 85  LEU A HD11 1 
ATOM   1399 H  HD12 . LEU A 1 89  ? -1.48906  -15.39737 15.43070 1.000 25.35333 ? 85  LEU A HD12 1 
ATOM   1400 H  HD13 . LEU A 1 89  ? -1.02953  -16.59968 16.36171 1.000 25.35333 ? 85  LEU A HD13 1 
ATOM   1401 H  HD21 . LEU A 1 89  ? -1.34341  -15.32677 18.96676 1.000 26.33611 ? 85  LEU A HD21 1 
ATOM   1402 H  HD22 . LEU A 1 89  ? 0.03985   -16.03954 18.64725 1.000 26.33611 ? 85  LEU A HD22 1 
ATOM   1403 H  HD23 . LEU A 1 89  ? 0.01762   -14.52037 19.11108 1.000 26.33611 ? 85  LEU A HD23 1 
ATOM   1404 N  N    . LYS A 1 90  ? 4.20563   -14.06937 17.31941 1.000 16.47927 ? 86  LYS A N    1 
ATOM   1405 C  CA   . LYS A 1 90  ? 5.54374   -14.15067 16.76640 1.000 15.73298 ? 86  LYS A CA   1 
ATOM   1406 C  C    . LYS A 1 90  ? 5.87352   -15.54182 16.24084 1.000 15.08256 ? 86  LYS A C    1 
ATOM   1407 O  O    . LYS A 1 90  ? 6.56197   -15.64979 15.22321 1.000 18.95856 ? 86  LYS A O    1 
ATOM   1408 C  CB   . LYS A 1 90  ? 6.56934   -13.67844 17.79927 1.000 22.74015 ? 86  LYS A CB   1 
ATOM   1409 C  CG   . LYS A 1 90  ? 6.26489   -12.28780 18.38064 1.000 22.82293 ? 86  LYS A CG   1 
ATOM   1410 C  CD   . LYS A 1 90  ? 5.87694   -11.28086 17.30770 1.000 31.04421 ? 86  LYS A CD   1 
ATOM   1411 C  CE   . LYS A 1 90  ? 5.52114   -9.93391  17.90328 1.000 32.32049 ? 86  LYS A CE   1 
ATOM   1412 N  NZ   . LYS A 1 90  ? 5.53394   -8.90169  16.84061 1.000 26.50122 ? 86  LYS A NZ   1 
ATOM   1413 H  H    . LYS A 1 90  ? 4.15824   -14.05060 18.17790 1.000 19.79869 ? 86  LYS A H    1 
ATOM   1414 H  HA   . LYS A 1 90  ? 5.60913   -13.54862 16.00867 1.000 18.90315 ? 86  LYS A HA   1 
ATOM   1415 H  HB2  . LYS A 1 90  ? 6.58507   -14.31041 18.53498 1.000 27.31174 ? 86  LYS A HB2  1 
ATOM   1416 H  HB3  . LYS A 1 90  ? 7.44181   -13.63884 17.37723 1.000 27.31174 ? 86  LYS A HB3  1 
ATOM   1417 H  HG2  . LYS A 1 90  ? 5.52720   -12.35974 19.00636 1.000 27.41108 ? 86  LYS A HG2  1 
ATOM   1418 H  HG3  . LYS A 1 90  ? 7.05408   -11.95389 18.83515 1.000 27.41108 ? 86  LYS A HG3  1 
ATOM   1419 H  HD2  . LYS A 1 90  ? 6.62290   -11.15680 16.70021 1.000 37.27662 ? 86  LYS A HD2  1 
ATOM   1420 H  HD3  . LYS A 1 90  ? 5.10512   -11.61164 16.82214 1.000 37.27662 ? 86  LYS A HD3  1 
ATOM   1421 H  HE2  . LYS A 1 90  ? 4.63354   -9.97123  18.29272 1.000 38.80816 ? 86  LYS A HE2  1 
ATOM   1422 H  HE3  . LYS A 1 90  ? 6.17120   -9.69281  18.58166 1.000 38.80816 ? 86  LYS A HE3  1 
ATOM   1423 H  HZ1  . LYS A 1 90  ? 5.34897   -8.10386  17.18898 1.000 31.82504 ? 86  LYS A HZ1  1 
ATOM   1424 H  HZ2  . LYS A 1 90  ? 6.33616   -8.87019  16.45650 1.000 31.82504 ? 86  LYS A HZ2  1 
ATOM   1425 H  HZ3  . LYS A 1 90  ? 4.92457   -9.09477  16.22135 1.000 31.82504 ? 86  LYS A HZ3  1 
ATOM   1426 N  N    . LYS A 1 91  ? 5.36655   -16.59704 16.87440 1.000 12.93934 ? 87  LYS A N    1 
ATOM   1427 C  CA   . LYS A 1 91  ? 5.76771   -17.96089 16.52207 1.000 13.48863 ? 87  LYS A CA   1 
ATOM   1428 C  C    . LYS A 1 91  ? 5.15930   -18.37629 15.19127 1.000 15.93853 ? 87  LYS A C    1 
ATOM   1429 O  O    . LYS A 1 91  ? 3.93776   -18.27868 15.01136 1.000 14.02563 ? 87  LYS A O    1 
ATOM   1430 C  CB   . LYS A 1 91  ? 5.34583   -18.92998 17.61138 1.000 18.04259 ? 87  LYS A CB   1 
ATOM   1431 C  CG   . LYS A 1 91  ? 6.18149   -18.77682 18.87590 1.000 18.60759 ? 87  LYS A CG   1 
ATOM   1432 C  CD   . LYS A 1 91  ? 5.71925   -19.73083 19.96146 1.000 22.84107 ? 87  LYS A CD   1 
ATOM   1433 C  CE   . LYS A 1 91  ? 6.72529   -19.79879 21.10438 1.000 39.48512 ? 87  LYS A CE   1 
ATOM   1434 N  NZ   . LYS A 1 91  ? 6.39497   -20.90464 22.05114 1.000 60.96083 ? 87  LYS A NZ   1 
ATOM   1435 H  H    . LYS A 1 91  ? 4.78982   -16.55505 17.51097 1.000 15.55078 ? 87  LYS A H    1 
ATOM   1436 H  HA   . LYS A 1 91  ? 6.73316   -17.99093 16.43322 1.000 16.20992 ? 87  LYS A HA   1 
ATOM   1437 H  HB2  . LYS A 1 91  ? 4.41771   -18.76569 17.84050 1.000 21.67467 ? 87  LYS A HB2  1 
ATOM   1438 H  HB3  . LYS A 1 91  ? 5.45176   -19.83798 17.28702 1.000 21.67467 ? 87  LYS A HB3  1 
ATOM   1439 H  HG2  . LYS A 1 91  ? 7.11012   -18.97083 18.67364 1.000 22.35268 ? 87  LYS A HG2  1 
ATOM   1440 H  HG3  . LYS A 1 91  ? 6.09713   -17.86999 19.20974 1.000 22.35268 ? 87  LYS A HG3  1 
ATOM   1441 H  HD2  . LYS A 1 91  ? 4.87084   -19.42526 20.31884 1.000 27.43286 ? 87  LYS A HD2  1 
ATOM   1442 H  HD3  . LYS A 1 91  ? 5.62069   -20.62050 19.58773 1.000 27.43286 ? 87  LYS A HD3  1 
ATOM   1443 H  HE2  . LYS A 1 91  ? 7.61161   -19.95879 20.74417 1.000 47.40571 ? 87  LYS A HE2  1 
ATOM   1444 H  HE3  . LYS A 1 91  ? 6.71258   -18.96199 21.59480 1.000 47.40571 ? 87  LYS A HE3  1 
ATOM   1445 H  HZ1  . LYS A 1 91  ? 6.99446   -20.93192 22.70839 1.000 73.17656 ? 87  LYS A HZ1  1 
ATOM   1446 H  HZ2  . LYS A 1 91  ? 5.58752   -20.77402 22.40194 1.000 73.17656 ? 87  LYS A HZ2  1 
ATOM   1447 H  HZ3  . LYS A 1 91  ? 6.40087   -21.68447 21.62228 1.000 73.17656 ? 87  LYS A HZ3  1 
ATOM   1448 N  N    . PRO A 1 92  ? 5.95817   -18.83903 14.23220 1.000 12.24803 ? 88  PRO A N    1 
ATOM   1449 C  CA   . PRO A 1 92  ? 5.36453   -19.21714 12.94745 1.000 10.15575 ? 88  PRO A CA   1 
ATOM   1450 C  C    . PRO A 1 92  ? 4.35267   -20.33289 13.05725 1.000 11.21795 ? 88  PRO A C    1 
ATOM   1451 O  O    . PRO A 1 92  ? 3.39273   -20.35034 12.26841 1.000 11.94677 ? 88  PRO A O    1 
ATOM   1452 C  CB   . PRO A 1 92  ? 6.56611   -19.57778 12.06748 1.000 16.51990 ? 88  PRO A CB   1 
ATOM   1453 C  CG   . PRO A 1 92  ? 7.73765   -19.58871 12.96301 1.000 17.22553 ? 88  PRO A CG   1 
ATOM   1454 C  CD   . PRO A 1 92  ? 7.42665   -18.81724 14.17516 1.000 13.40704 ? 88  PRO A CD   1 
ATOM   1455 H  HA   . PRO A 1 92  ? 4.93305   -18.44589 12.54759 1.000 12.21047 ? 88  PRO A HA   1 
ATOM   1456 H  HB2  . PRO A 1 92  ? 6.42888   -20.45227 11.67084 1.000 19.84744 ? 88  PRO A HB2  1 
ATOM   1457 H  HB3  . PRO A 1 92  ? 6.67222   -18.91069 11.37133 1.000 19.84744 ? 88  PRO A HB3  1 
ATOM   1458 H  HG2  . PRO A 1 92  ? 7.94346   -20.50689 13.19856 1.000 20.69420 ? 88  PRO A HG2  1 
ATOM   1459 H  HG3  . PRO A 1 92  ? 8.49000   -19.18846 12.49967 1.000 20.69420 ? 88  PRO A HG3  1 
ATOM   1460 H  HD2  . PRO A 1 92  ? 7.80768   -19.24128 14.95996 1.000 16.11202 ? 88  PRO A HD2  1 
ATOM   1461 H  HD3  . PRO A 1 92  ? 7.75439   -17.90760 14.09747 1.000 16.11202 ? 88  PRO A HD3  1 
ATOM   1462 N  N    A ASN A 1 93  ? 4.55344   -21.25778 14.01426 0.531 11.24391 ? 89  ASN A N    1 
ATOM   1463 N  N    B ASN A 1 93  ? 4.48208   -21.26138 13.98995 0.469 9.37737  ? 89  ASN A N    1 
ATOM   1464 C  CA   A ASN A 1 93  ? 3.65553   -22.40111 14.19573 0.531 11.13464 ? 89  ASN A CA   1 
ATOM   1465 C  CA   B ASN A 1 93  ? 3.50044   -22.33960 14.00495 0.469 14.31190 ? 89  ASN A CA   1 
ATOM   1466 C  C    A ASN A 1 93  ? 2.29244   -21.96495 14.71398 0.531 7.94420  ? 89  ASN A C    1 
ATOM   1467 C  C    B ASN A 1 93  ? 2.23438   -21.99603 14.75700 0.469 13.64123 ? 89  ASN A C    1 
ATOM   1468 O  O    A ASN A 1 93  ? 1.26471   -22.51305 14.29749 0.531 9.47751  ? 89  ASN A O    1 
ATOM   1469 O  O    B ASN A 1 93  ? 1.21895   -22.67241 14.55768 0.469 13.04268 ? 89  ASN A O    1 
ATOM   1470 C  CB   A ASN A 1 93  ? 4.29145   -23.50097 15.07900 0.531 15.56765 ? 89  ASN A CB   1 
ATOM   1471 C  CB   B ASN A 1 93  ? 4.10649   -23.62762 14.51249 0.469 9.56032  ? 89  ASN A CB   1 
ATOM   1472 C  CG   A ASN A 1 93  ? 4.30179   -23.17886 16.60191 0.531 18.55544 ? 89  ASN A CG   1 
ATOM   1473 C  CG   B ASN A 1 93  ? 5.16578   -24.10741 13.59796 0.469 8.91756  ? 89  ASN A CG   1 
ATOM   1474 O  OD1  A ASN A 1 93  ? 3.54067   -23.77004 17.39002 0.531 20.26322 ? 89  ASN A OD1  1 
ATOM   1475 O  OD1  B ASN A 1 93  ? 4.89031   -24.71690 12.55544 0.469 16.44254 ? 89  ASN A OD1  1 
ATOM   1476 N  ND2  A ASN A 1 93  ? 5.21274   -22.30566 17.02128 0.531 15.83813 ? 89  ASN A ND2  1 
ATOM   1477 N  ND2  B ASN A 1 93  ? 6.38711   -23.76240 13.91358 0.469 5.48362  ? 89  ASN A ND2  1 
ATOM   1478 H  H    A ASN A 1 93  ? 5.20651   -21.24441 14.57365 0.531 13.51626 ? 89  ASN A H    1 
ATOM   1479 H  H    B ASN A 1 93  ? 5.09377   -21.29178 14.59370 0.469 11.27641 ? 89  ASN A H    1 
ATOM   1480 H  HA   A ASN A 1 93  ? 3.51751   -22.81152 13.32774 0.531 13.38513 ? 89  ASN A HA   1 
ATOM   1481 H  HA   B ASN A 1 93  ? 3.23561   -22.51033 13.08756 0.469 17.19784 ? 89  ASN A HA   1 
ATOM   1482 H  HB2  A ASN A 1 93  ? 3.79155   -24.32326 14.95718 0.531 18.70474 ? 89  ASN A HB2  1 
ATOM   1483 H  HB2  B ASN A 1 93  ? 4.49903   -23.47785 15.38678 0.469 11.49595 ? 89  ASN A HB2  1 
ATOM   1484 H  HB3  A ASN A 1 93  ? 5.21188   -23.62791 14.80046 0.531 18.70474 ? 89  ASN A HB3  1 
ATOM   1485 H  HB3  B ASN A 1 93  ? 3.41787   -24.30834 14.57019 0.469 11.49595 ? 89  ASN A HB3  1 
ATOM   1486 H  HD21 A ASN A 1 93  ? 5.25649   -22.09656 17.85432 0.531 19.02932 ? 89  ASN A HD21 1 
ATOM   1487 H  HD21 B ASN A 1 93  ? 7.04559   -24.01169 13.41976 0.469 6.60391  ? 89  ASN A HD21 1 
ATOM   1488 H  HD22 A ASN A 1 93  ? 5.75815   -21.95002 16.45945 0.531 19.02932 ? 89  ASN A HD22 1 
ATOM   1489 H  HD22 B ASN A 1 93  ? 6.53178   -23.28622 14.61495 0.469 6.60391  ? 89  ASN A HD22 1 
ATOM   1490 N  N    . GLU A 1 94  ? 2.26401   -20.98263 15.61819 1.000 11.19560 ? 90  GLU A N    1 
ATOM   1491 C  CA   . GLU A 1 94  ? 1.01165   -20.44552 16.12099 1.000 10.04407 ? 90  GLU A CA   1 
ATOM   1492 C  C    . GLU A 1 94  ? 0.24696   -19.75029 15.00333 1.000 9.68732  ? 90  GLU A C    1 
ATOM   1493 O  O    . GLU A 1 94  ? -0.97278  -19.93713 14.85755 1.000 9.66257  ? 90  GLU A O    1 
ATOM   1494 C  CB   . GLU A 1 94  ? 1.30182   -19.51180 17.30640 1.000 13.71309 ? 90  GLU A CB   1 
ATOM   1495 C  CG   . GLU A 1 94  ? 1.93204   -20.29528 18.50021 1.000 18.07414 ? 90  GLU A CG   1 
ATOM   1496 C  CD   . GLU A 1 94  ? 1.98743   -19.53552 19.80936 1.000 23.67134 ? 90  GLU A CD   1 
ATOM   1497 O  OE1  . GLU A 1 94  ? 1.91514   -18.29135 19.80688 1.000 25.58075 ? 90  GLU A OE1  1 
ATOM   1498 O  OE2  . GLU A 1 94  ? 2.12450   -20.21319 20.85836 1.000 33.19482 ? 90  GLU A OE2  1 
ATOM   1499 H  H    . GLU A 1 94  ? 2.96115   -20.60973 15.95662 1.000 13.45828 ? 90  GLU A H    1 
ATOM   1500 H  HA   . GLU A 1 94  ? 0.44251   -21.15678 16.45430 1.000 12.07646 ? 90  GLU A HA   1 
ATOM   1501 H  HB2  . GLU A 1 94  ? 1.92523   -18.82274 17.02808 1.000 16.47927 ? 90  GLU A HB2  1 
ATOM   1502 H  HB3  . GLU A 1 94  ? 0.47323   -19.10744 17.60777 1.000 16.47927 ? 90  GLU A HB3  1 
ATOM   1503 H  HG2  . GLU A 1 94  ? 1.40775   -21.09709 18.65225 1.000 21.71254 ? 90  GLU A HG2  1 
ATOM   1504 H  HG3  . GLU A 1 94  ? 2.84228   -20.53378 18.26464 1.000 21.71254 ? 90  GLU A HG3  1 
ATOM   1505 N  N    . ARG A 1 95  ? 0.94671   -18.97062 14.17092 1.000 9.95520  ? 91  ARG A N    1 
ATOM   1506 C  CA   . ARG A 1 95  ? 0.28120   -18.38492 13.00969 1.000 8.61193  ? 91  ARG A CA   1 
ATOM   1507 C  C    . ARG A 1 95  ? -0.21630  -19.45715 12.04791 1.000 9.07958  ? 91  ARG A C    1 
ATOM   1508 O  O    . ARG A 1 95  ? -1.32864  -19.34638 11.52015 1.000 9.84953  ? 91  ARG A O    1 
ATOM   1509 C  CB   . ARG A 1 95  ? 1.19116   -17.39206 12.27973 1.000 9.09320  ? 91  ARG A CB   1 
ATOM   1510 C  CG   . ARG A 1 95  ? 1.38547   -16.09050 13.02148 1.000 10.08152 ? 91  ARG A CG   1 
ATOM   1511 C  CD   . ARG A 1 95  ? 2.39006   -15.15307 12.34171 1.000 12.23611 ? 91  ARG A CD   1 
ATOM   1512 N  NE   . ARG A 1 95  ? 3.76222   -15.51447 12.64782 1.000 16.77073 ? 91  ARG A NE   1 
ATOM   1513 C  CZ   . ARG A 1 95  ? 4.78209   -15.38226 11.82168 1.000 16.11523 ? 91  ARG A CZ   1 
ATOM   1514 N  NH1  . ARG A 1 95  ? 4.59280   -14.91259 10.60450 1.000 15.60807 ? 91  ARG A NH1  1 
ATOM   1515 N  NH2  . ARG A 1 95  ? 6.00400   -15.74233 12.21628 1.000 13.99966 ? 91  ARG A NH2  1 
ATOM   1516 H  H    . ARG A 1 95  ? 1.77940   -18.77206 14.25341 1.000 11.96980 ? 91  ARG A H    1 
ATOM   1517 H  HA   . ARG A 1 95  ? -0.48449  -17.88599 13.33480 1.000 10.35789 ? 91  ARG A HA   1 
ATOM   1518 H  HB2  . ARG A 1 95  ? 2.06380   -17.79827 12.15971 1.000 10.93540 ? 91  ARG A HB2  1 
ATOM   1519 H  HB3  . ARG A 1 95  ? 0.79958   -17.18600 11.41653 1.000 10.93540 ? 91  ARG A HB3  1 
ATOM   1520 H  HG2  . ARG A 1 95  ? 0.53458   -15.62773 13.07370 1.000 12.12139 ? 91  ARG A HG2  1 
ATOM   1521 H  HG3  . ARG A 1 95  ? 1.71400   -16.28252 13.91372 1.000 12.12139 ? 91  ARG A HG3  1 
ATOM   1522 H  HD2  . ARG A 1 95  ? 2.27128   -15.20070 11.38019 1.000 14.70690 ? 91  ARG A HD2  1 
ATOM   1523 H  HD3  . ARG A 1 95  ? 2.23948   -14.24580 12.65006 1.000 14.70690 ? 91  ARG A HD3  1 
ATOM   1524 H  HE   . ARG A 1 95  ? 3.92257   -15.83974 13.42762 1.000 20.14844 ? 91  ARG A HE   1 
ATOM   1525 H  HH11 . ARG A 1 95  ? 3.80264   -14.69137 10.34701 1.000 18.75325 ? 91  ARG A HH11 1 
ATOM   1526 H  HH12 . ARG A 1 95  ? 5.25949   -14.82743 10.06796 1.000 18.75325 ? 91  ARG A HH12 1 
ATOM   1527 H  HH21 . ARG A 1 95  ? 6.12468   -16.05928 13.00659 1.000 16.82316 ? 91  ARG A HH21 1 
ATOM   1528 H  HH22 . ARG A 1 95  ? 6.67131   -15.65759 11.68045 1.000 16.82316 ? 91  ARG A HH22 1 
ATOM   1529 N  N    . GLY A 1 96  ? 0.58507   -20.48892 11.80242 1.000 10.13210 ? 92  GLY A N    1 
ATOM   1530 C  CA   . GLY A 1 96  ? 0.13745   -21.54724 10.90933 1.000 9.65766  ? 92  GLY A CA   1 
ATOM   1531 C  C    . GLY A 1 96  ? -1.10358  -22.26008 11.40557 1.000 7.44593  ? 92  GLY A C    1 
ATOM   1532 O  O    . GLY A 1 96  ? -2.03277  -22.53144 10.64208 1.000 9.59914  ? 92  GLY A O    1 
ATOM   1533 H  H    . GLY A 1 96  ? 1.37234   -20.59943 12.13043 1.000 12.18208 ? 92  GLY A H    1 
ATOM   1534 H  HA2  . GLY A 1 96  ? -0.05987  -21.16676 10.03915 1.000 11.61276 ? 92  GLY A HA2  1 
ATOM   1535 H  HA3  . GLY A 1 96  ? 0.84540   -22.20344 10.81390 1.000 11.61276 ? 92  GLY A HA3  1 
ATOM   1536 N  N    . ASP A 1 97  ? -1.13414  -22.57643 12.70125 1.000 9.20732  ? 93  ASP A N    1 
ATOM   1537 C  CA   . ASP A 1 97  ? -2.27918  -23.28392 13.26181 1.000 10.33053 ? 93  ASP A CA   1 
ATOM   1538 C  C    . ASP A 1 97  ? -3.51726  -22.39110 13.20193 1.000 8.34658  ? 93  ASP A C    1 
ATOM   1539 O  O    . ASP A 1 97  ? -4.59291  -22.80142 12.75739 1.000 8.96584  ? 93  ASP A O    1 
ATOM   1540 C  CB   . ASP A 1 97  ? -1.95037  -23.66083 14.71865 1.000 10.91137 ? 93  ASP A CB   1 
ATOM   1541 C  CG   . ASP A 1 97  ? -0.87947  -24.75406 14.83593 1.000 13.56734 ? 93  ASP A CG   1 
ATOM   1542 O  OD1  . ASP A 1 97  ? -0.48948  -25.35448 13.79022 1.000 13.41509 ? 93  ASP A OD1  1 
ATOM   1543 O  OD2  . ASP A 1 97  ? -0.40965  -25.01097 15.97773 1.000 16.29333 ? 93  ASP A OD2  1 
ATOM   1544 H  H    . ASP A 1 97  ? -0.51386  -22.39552 13.26881 1.000 11.07235 ? 93  ASP A H    1 
ATOM   1545 H  HA   . ASP A 1 97  ? -2.46154  -24.09540 12.76267 1.000 12.42020 ? 93  ASP A HA   1 
ATOM   1546 H  HB2  . ASP A 1 97  ? -1.62339  -22.87310 15.18066 1.000 13.11721 ? 93  ASP A HB2  1 
ATOM   1547 H  HB3  . ASP A 1 97  ? -2.75666  -23.98668 15.14834 1.000 13.11721 ? 93  ASP A HB3  1 
ATOM   1548 N  N    . LEU A 1 98  ? -3.36398  -21.12853 13.61418 1.000 8.14798  ? 94  LEU A N    1 
ATOM   1549 C  CA   . LEU A 1 98  ? -4.47079  -20.17335 13.55285 1.000 8.44709  ? 94  LEU A CA   1 
ATOM   1550 C  C    . LEU A 1 98  ? -5.00243  -20.02518 12.12995 1.000 8.75849  ? 94  LEU A C    1 
ATOM   1551 O  O    . LEU A 1 98  ? -6.21866  -20.00030 11.90295 1.000 8.93666  ? 94  LEU A O    1 
ATOM   1552 C  CB   . LEU A 1 98  ? -3.98781  -18.82589 14.10108 1.000 7.81690  ? 94  LEU A CB   1 
ATOM   1553 C  CG   . LEU A 1 98  ? -5.00906  -17.69481 14.05121 1.000 10.31757 ? 94  LEU A CG   1 
ATOM   1554 C  CD1  . LEU A 1 98  ? -6.27078  -18.07448 14.77616 1.000 10.86974 ? 94  LEU A CD1  1 
ATOM   1555 C  CD2  . LEU A 1 98  ? -4.39157  -16.46139 14.60114 1.000 9.27214  ? 94  LEU A CD2  1 
ATOM   1556 H  H    . LEU A 1 98  ? -2.63512  -20.80051 13.93161 1.000 9.80114  ? 94  LEU A H    1 
ATOM   1557 H  HA   . LEU A 1 98  ? -5.20601  -20.48889 14.10129 1.000 10.16007 ? 94  LEU A HA   1 
ATOM   1558 H  HB2  . LEU A 1 98  ? -3.73552  -18.94761 15.02975 1.000 9.40384  ? 94  LEU A HB2  1 
ATOM   1559 H  HB3  . LEU A 1 98  ? -3.21807  -18.54421 13.58237 1.000 9.40384  ? 94  LEU A HB3  1 
ATOM   1560 H  HG   . LEU A 1 98  ? -5.27153  -17.51751 13.13438 1.000 12.40465 ? 94  LEU A HG   1 
ATOM   1561 H  HD11 . LEU A 1 98  ? -6.86213  -17.30611 14.80450 1.000 13.06726 ? 94  LEU A HD11 1 
ATOM   1562 H  HD12 . LEU A 1 98  ? -6.69950  -18.80454 14.30276 1.000 13.06726 ? 94  LEU A HD12 1 
ATOM   1563 H  HD13 . LEU A 1 98  ? -6.04556  -18.35199 15.67792 1.000 13.06726 ? 94  LEU A HD13 1 
ATOM   1564 H  HD21 . LEU A 1 98  ? -5.04336  -15.74347 14.57556 1.000 11.15013 ? 94  LEU A HD21 1 
ATOM   1565 H  HD22 . LEU A 1 98  ? -4.11734  -16.62672 15.51677 1.000 11.15013 ? 94  LEU A HD22 1 
ATOM   1566 H  HD23 . LEU A 1 98  ? -3.62003  -16.22705 14.06196 1.000 11.15013 ? 94  LEU A HD23 1 
ATOM   1567 N  N    . ILE A 1 99  ? -4.10957  -19.90842 11.15273 1.000 8.36110  ? 95  ILE A N    1 
ATOM   1568 C  CA   . ILE A 1 99  ? -4.54753  -19.72611 9.76672  1.000 10.23947 ? 95  ILE A CA   1 
ATOM   1569 C  C    . ILE A 1 99  ? -5.32942  -20.93459 9.26279  1.000 10.89229 ? 95  ILE A C    1 
ATOM   1570 O  O    . ILE A 1 99  ? -6.33651  -20.78875 8.57315  1.000 9.55881  ? 95  ILE A O    1 
ATOM   1571 C  CB   . ILE A 1 99  ? -3.33354  -19.38884 8.88976  1.000 8.05328  ? 95  ILE A CB   1 
ATOM   1572 C  CG1  . ILE A 1 99  ? -2.87793  -17.94916 9.18983  1.000 10.31545 ? 95  ILE A CG1  1 
ATOM   1573 C  CG2  . ILE A 1 99  ? -3.64483  -19.62222 7.38915  1.000 9.95016  ? 95  ILE A CG2  1 
ATOM   1574 C  CD1  . ILE A 1 99  ? -1.47744  -17.60609 8.68985  1.000 11.19786 ? 95  ILE A CD1  1 
ATOM   1575 H  H    . ILE A 1 99  ? -3.25627  -19.93027 11.25765 1.000 10.05688 ? 95  ILE A H    1 
ATOM   1576 H  HA   . ILE A 1 99  ? -5.16383  -18.97808 9.72754  1.000 12.31093 ? 95  ILE A HA   1 
ATOM   1577 H  HB   . ILE A 1 99  ? -2.60029  -19.98602 9.10569  1.000 9.68750  ? 95  ILE A HB   1 
ATOM   1578 H  HG12 . ILE A 1 99  ? -3.49782  -17.33508 8.76610  1.000 12.40211 ? 95  ILE A HG12 1 
ATOM   1579 H  HG13 . ILE A 1 99  ? -2.88529  -17.81754 10.15083 1.000 12.40211 ? 95  ILE A HG13 1 
ATOM   1580 H  HG21 . ILE A 1 99  ? -2.93643  -19.23012 6.85498  1.000 11.96376 ? 95  ILE A HG21 1 
ATOM   1581 H  HG22 . ILE A 1 99  ? -3.69581  -20.57632 7.22186  1.000 11.96376 ? 95  ILE A HG22 1 
ATOM   1582 H  HG23 . ILE A 1 99  ? -4.49248  -19.20282 7.17352  1.000 11.96376 ? 95  ILE A HG23 1 
ATOM   1583 H  HD11 . ILE A 1 99  ? -1.30730  -16.66442 8.84863  1.000 13.46099 ? 95  ILE A HD11 1 
ATOM   1584 H  HD12 . ILE A 1 99  ? -0.82972  -18.14490 9.17053  1.000 13.46099 ? 95  ILE A HD12 1 
ATOM   1585 H  HD13 . ILE A 1 99  ? -1.42588  -17.79598 7.74002  1.000 13.46099 ? 95  ILE A HD13 1 
ATOM   1586 N  N    . ALA A 1 100 ? -4.87915  -22.14147 9.58070  1.000 9.41377  ? 96  ALA A N    1 
ATOM   1587 C  CA   . ALA A 1 100 ? -5.64216  -23.32161 9.19328  1.000 9.02294  ? 96  ALA A CA   1 
ATOM   1588 C  C    . ALA A 1 100 ? -7.02371  -23.30360 9.82960  1.000 9.05222  ? 96  ALA A C    1 
ATOM   1589 O  O    . ALA A 1 100 ? -8.02324  -23.68624 9.20284  1.000 10.88626 ? 96  ALA A O    1 
ATOM   1590 C  CB   . ALA A 1 100 ? -4.89551  -24.57507 9.61596  1.000 9.77627  ? 96  ALA A CB   1 
ATOM   1591 H  H    . ALA A 1 100 ? -4.15221  -22.30478 10.01021 1.000 11.32009 ? 96  ALA A H    1 
ATOM   1592 H  HA   . ALA A 1 100 ? -5.74398  -23.33162 8.22869  1.000 10.85109 ? 96  ALA A HA   1 
ATOM   1593 H  HB1  . ALA A 1 100 ? -5.40702  -25.35363 9.34559  1.000 11.75509 ? 96  ALA A HB1  1 
ATOM   1594 H  HB2  . ALA A 1 100 ? -4.02607  -24.58486 9.18599  1.000 11.75509 ? 96  ALA A HB2  1 
ATOM   1595 H  HB3  . ALA A 1 100 ? -4.78775  -24.56851 10.57993 1.000 11.75509 ? 96  ALA A HB3  1 
ATOM   1596 N  N    . TYR A 1 101 ? -7.10132  -22.92762 11.10584 1.000 9.02110  ? 97  TYR A N    1 
ATOM   1597 C  CA   . TYR A 1 101 ? -8.41769  -22.82283 11.72816 1.000 9.71004  ? 97  TYR A CA   1 
ATOM   1598 C  C    . TYR A 1 101 ? -9.28425  -21.80004 11.00051 1.000 11.11244 ? 97  TYR A C    1 
ATOM   1599 O  O    . TYR A 1 101 ? -10.45835 -22.05451 10.71201 1.000 10.35366 ? 97  TYR A O    1 
ATOM   1600 C  CB   . TYR A 1 101 ? -8.32365  -22.48774 13.21563 1.000 9.59605  ? 97  TYR A CB   1 
ATOM   1601 C  CG   . TYR A 1 101 ? -9.68955  -22.10915 13.75296 1.000 7.87539  ? 97  TYR A CG   1 
ATOM   1602 C  CD1  . TYR A 1 101 ? -10.66389 -23.06820 13.96953 1.000 10.95028 ? 97  TYR A CD1  1 
ATOM   1603 C  CD2  . TYR A 1 101 ? -10.01529 -20.79082 14.00577 1.000 9.25703  ? 97  TYR A CD2  1 
ATOM   1604 C  CE1  . TYR A 1 101 ? -11.92154 -22.71441 14.40689 1.000 10.96650 ? 97  TYR A CE1  1 
ATOM   1605 C  CE2  . TYR A 1 101 ? -11.27241 -20.43641 14.45185 1.000 9.40532  ? 97  TYR A CE2  1 
ATOM   1606 C  CZ   . TYR A 1 101 ? -12.21991 -21.41812 14.65213 1.000 11.05621 ? 97  TYR A CZ   1 
ATOM   1607 O  OH   . TYR A 1 101 ? -13.48736 -21.03453 15.08165 1.000 13.77705 ? 97  TYR A OH   1 
ATOM   1608 H  H    . TYR A 1 101 ? -6.43485  -22.73503 11.61411 1.000 10.84888 ? 97  TYR A H    1 
ATOM   1609 H  HA   . TYR A 1 101 ? -8.83953  -23.69412 11.66645 1.000 11.67561 ? 97  TYR A HA   1 
ATOM   1610 H  HB2  . TYR A 1 101 ? -8.00046  -23.26106 13.70390 1.000 11.53882 ? 97  TYR A HB2  1 
ATOM   1611 H  HB3  . TYR A 1 101 ? -7.72044  -21.73891 13.34329 1.000 11.53882 ? 97  TYR A HB3  1 
ATOM   1612 H  HD1  . TYR A 1 101 ? -10.46673 -23.96428 13.81761 1.000 13.16390 ? 97  TYR A HD1  1 
ATOM   1613 H  HD2  . TYR A 1 101 ? -9.37525  -20.12933 13.87284 1.000 11.13200 ? 97  TYR A HD2  1 
ATOM   1614 H  HE1  . TYR A 1 101 ? -12.56859 -23.37018 14.53414 1.000 13.18336 ? 97  TYR A HE1  1 
ATOM   1615 H  HE2  . TYR A 1 101 ? -11.47842 -19.54444 14.61573 1.000 11.30995 ? 97  TYR A HE2  1 
ATOM   1616 H  HH   . TYR A 1 101 ? -14.04270 -21.64301 14.91752 1.000 16.55603 ? 97  TYR A HH   1 
ATOM   1617 N  N    . LEU A 1 102 ? -8.73428  -20.61972 10.71098 1.000 8.42784  ? 98  LEU A N    1 
ATOM   1618 C  CA   . LEU A 1 102 ? -9.53077  -19.59768 10.03167 1.000 10.02319 ? 98  LEU A CA   1 
ATOM   1619 C  C    . LEU A 1 102 ? -10.02466 -20.08340 8.67267  1.000 9.23311  ? 98  LEU A C    1 
ATOM   1620 O  O    . LEU A 1 102 ? -11.15801 -19.79286 8.27166  1.000 10.27477 ? 98  LEU A O    1 
ATOM   1621 C  CB   . LEU A 1 102 ? -8.72211  -18.31165 9.87477  1.000 9.71234  ? 98  LEU A CB   1 
ATOM   1622 C  CG   . LEU A 1 102 ? -8.44241  -17.49772 11.13121 1.000 9.08575  ? 98  LEU A CG   1 
ATOM   1623 C  CD1  . LEU A 1 102 ? -7.45672  -16.40948 10.89505 1.000 10.99579 ? 98  LEU A CD1  1 
ATOM   1624 C  CD2  . LEU A 1 102 ? -9.72704  -16.85225 11.59468 1.000 12.28488 ? 98  LEU A CD2  1 
ATOM   1625 H  H    . LEU A 1 102 ? -7.92545  -20.38927 10.89069 1.000 10.13697 ? 98  LEU A H    1 
ATOM   1626 H  HA   . LEU A 1 102 ? -10.30612 -19.40116 10.58040 1.000 12.05139 ? 98  LEU A HA   1 
ATOM   1627 H  HB2  . LEU A 1 102 ? -7.86089  -18.54757 9.49590  1.000 11.67838 ? 98  LEU A HB2  1 
ATOM   1628 H  HB3  . LEU A 1 102 ? -9.20451  -17.73076 9.26587  1.000 11.67838 ? 98  LEU A HB3  1 
ATOM   1629 H  HG   . LEU A 1 102 ? -8.07906  -18.10062 11.79858 1.000 10.92646 ? 98  LEU A HG   1 
ATOM   1630 H  HD11 . LEU A 1 102 ? -7.26445  -15.96921 11.73771 1.000 13.21852 ? 98  LEU A HD11 1 
ATOM   1631 H  HD12 . LEU A 1 102 ? -6.64432  -16.79312 10.52936 1.000 13.21852 ? 98  LEU A HD12 1 
ATOM   1632 H  HD13 . LEU A 1 102 ? -7.83346  -15.77285 10.26762 1.000 13.21852 ? 98  LEU A HD13 1 
ATOM   1633 H  HD21 . LEU A 1 102 ? -9.55884  -16.37100 12.41991 1.000 14.76542 ? 98  LEU A HD21 1 
ATOM   1634 H  HD22 . LEU A 1 102 ? -10.03649 -16.23797 10.91071 1.000 14.76542 ? 98  LEU A HD22 1 
ATOM   1635 H  HD23 . LEU A 1 102 ? -10.39151 -17.54294 11.74410 1.000 14.76542 ? 98  LEU A HD23 1 
ATOM   1636 N  N    . LYS A 1 103 ? -9.18627  -20.82180 7.94193  1.000 8.56335  ? 99  LYS A N    1 
ATOM   1637 C  CA   . LYS A 1 103 ? -9.58499  -21.31143 6.63123  1.000 10.97817 ? 99  LYS A CA   1 
ATOM   1638 C  C    . LYS A 1 103 ? -10.80350 -22.21286 6.76387  1.000 12.50119 ? 99  LYS A C    1 
ATOM   1639 O  O    . LYS A 1 103 ? -11.70645 -22.17479 5.92439  1.000 15.21629 ? 99  LYS A O    1 
ATOM   1640 C  CB   . LYS A 1 103 ? -8.41612  -22.05401 5.98479  1.000 11.30014 ? 99  LYS A CB   1 
ATOM   1641 C  CG   . LYS A 1 103 ? -8.65903  -22.59442 4.57156  1.000 12.67220 ? 99  LYS A CG   1 
ATOM   1642 C  CD   . LYS A 1 103 ? -8.78033  -21.50741 3.56227  1.000 16.85137 ? 99  LYS A CD   1 
ATOM   1643 C  CE   . LYS A 1 103 ? -9.06011  -22.06721 2.18036  1.000 21.49948 ? 99  LYS A CE   1 
ATOM   1644 N  NZ   . LYS A 1 103 ? -7.94522  -22.92011 1.65550  1.000 49.19842 ? 99  LYS A NZ   1 
ATOM   1645 H  H    . LYS A 1 103 ? -8.39195  -21.04947 8.18031  1.000 10.29959 ? 99  LYS A H    1 
ATOM   1646 H  HA   . LYS A 1 103 ? -9.81564  -20.56893 6.05124  1.000 13.19737 ? 99  LYS A HA   1 
ATOM   1647 H  HB2  . LYS A 1 103 ? -7.66264  -21.44536 5.93266  1.000 13.58374 ? 99  LYS A HB2  1 
ATOM   1648 H  HB3  . LYS A 1 103 ? -8.19173  -22.81242 6.54636  1.000 13.58374 ? 99  LYS A HB3  1 
ATOM   1649 H  HG2  . LYS A 1 103 ? -7.91467  -23.16127 4.31562  1.000 15.23021 ? 99  LYS A HG2  1 
ATOM   1650 H  HG3  . LYS A 1 103 ? -9.48331  -23.10570 4.56400  1.000 15.23021 ? 99  LYS A HG3  1 
ATOM   1651 H  HD2  . LYS A 1 103 ? -9.51204  -20.91994 3.80800  1.000 20.24521 ? 99  LYS A HD2  1 
ATOM   1652 H  HD3  . LYS A 1 103 ? -7.95035  -21.00663 3.52694  1.000 20.24521 ? 99  LYS A HD3  1 
ATOM   1653 H  HE2  . LYS A 1 103 ? -9.86114  -22.61298 2.21771  1.000 25.82294 ? 99  LYS A HE2  1 
ATOM   1654 H  HE3  . LYS A 1 103 ? -9.18889  -21.33086 1.56222  1.000 25.82294 ? 99  LYS A HE3  1 
ATOM   1655 H  HZ1  . LYS A 1 103 ? -8.15214  -23.22747 0.84629  1.000 59.06167 ? 99  LYS A HZ1  1 
ATOM   1656 H  HZ2  . LYS A 1 103 ? -7.19647  -22.44218 1.60018  1.000 59.06167 ? 99  LYS A HZ2  1 
ATOM   1657 H  HZ3  . LYS A 1 103 ? -7.80770  -23.61040 2.20020  1.000 59.06167 ? 99  LYS A HZ3  1 
ATOM   1658 N  N    . SER A 1 104 ? -10.85354 -23.02454 7.82415  1.000 10.19770 ? 100 SER A N    1 
ATOM   1659 C  CA   . SER A 1 104 ? -11.97108 -23.95169 7.99140  1.000 10.89390 ? 100 SER A CA   1 
ATOM   1660 C  C    . SER A 1 104 ? -13.21433 -23.24187 8.50219  1.000 15.84114 ? 100 SER A C    1 
ATOM   1661 O  O    . SER A 1 104 ? -14.33030 -23.53642 8.06842  1.000 21.97589 ? 100 SER A O    1 
ATOM   1662 C  CB   . SER A 1 104 ? -11.58663 -25.07055 8.95272  1.000 15.37763 ? 100 SER A CB   1 
ATOM   1663 O  OG   . SER A 1 104 ? -11.33654 -24.59490 10.27177 1.000 28.29819 ? 100 SER A OG   1 
ATOM   1664 H  H    . SER A 1 104 ? -10.26419 -23.05764 8.44958  1.000 12.26080 ? 100 SER A H    1 
ATOM   1665 H  HA   . SER A 1 104 ? -12.17414 -24.34542 7.12847  1.000 13.09624 ? 100 SER A HA   1 
ATOM   1666 H  HB2  . SER A 1 104 ? -12.31415 -25.71116 8.98802  1.000 18.47672 ? 100 SER A HB2  1 
ATOM   1667 H  HB3  . SER A 1 104 ? -10.78237 -25.49984 8.62140  1.000 18.47672 ? 100 SER A HB3  1 
ATOM   1668 H  HG   . SER A 1 104 ? -10.67215 -24.08092 10.27068 1.000 33.98140 ? 100 SER A HG   1 
ATOM   1669 N  N    . ALA A 1 105 ? -13.04571 -22.29107 9.39620  1.000 11.07485 ? 101 ALA A N    1 
ATOM   1670 C  CA   . ALA A 1 105 ? -14.17272 -21.71859 10.09453 1.000 11.60777 ? 101 ALA A CA   1 
ATOM   1671 C  C    . ALA A 1 105 ? -14.81599 -20.54980 9.37807  1.000 13.49536 ? 101 ALA A C    1 
ATOM   1672 O  O    . ALA A 1 105 ? -15.92894 -20.16308 9.75766  1.000 14.40918 ? 101 ALA A O    1 
ATOM   1673 C  CB   . ALA A 1 105 ? -13.72766 -21.24295 11.47519 1.000 10.92413 ? 101 ALA A CB   1 
ATOM   1674 H  H    . ALA A 1 105 ? -12.28356 -21.95921 9.61662  1.000 13.31338 ? 101 ALA A H    1 
ATOM   1675 H  HA   . ALA A 1 105 ? -14.84606 -22.41022 10.19022 1.000 13.95290 ? 101 ALA A HA   1 
ATOM   1676 H  HB1  . ALA A 1 105 ? -14.50830 -20.96913 11.98168 1.000 13.13252 ? 101 ALA A HB1  1 
ATOM   1677 H  HB2  . ALA A 1 105 ? -13.27704 -21.97156 11.93013 1.000 13.13252 ? 101 ALA A HB2  1 
ATOM   1678 H  HB3  . ALA A 1 105 ? -13.12145 -20.49297 11.37059 1.000 13.13252 ? 101 ALA A HB3  1 
ATOM   1679 N  N    . THR A 1 106 ? -14.17077 -19.98050 8.36373  1.000 10.84077 ? 102 THR A N    1 
ATOM   1680 C  CA   . THR A 1 106 ? -14.72813 -18.83928 7.64969  1.000 9.93688  ? 102 THR A CA   1 
ATOM   1681 C  C    . THR A 1 106 ? -15.32236 -19.20629 6.29765  1.000 12.41739 ? 102 THR A C    1 
ATOM   1682 O  O    . THR A 1 106 ? -15.64619 -18.30642 5.51353  1.000 12.71337 ? 102 THR A O    1 
ATOM   1683 C  CB   . THR A 1 106 ? -13.69188 -17.71996 7.48327  1.000 9.38641  ? 102 THR A CB   1 
ATOM   1684 O  OG1  . THR A 1 106 ? -12.57361 -18.17188 6.70814  1.000 11.46555 ? 102 THR A OG1  1 
ATOM   1685 C  CG2  . THR A 1 106 ? -13.19126 -17.27138 8.82528  1.000 9.83869  ? 102 THR A CG2  1 
ATOM   1686 H  H    . THR A 1 106 ? -13.40502 -20.24089 8.07146  1.000 13.03249 ? 102 THR A H    1 
ATOM   1687 H  HA   . THR A 1 106 ? -15.44472 -18.48375 8.19831  1.000 11.94782 ? 102 THR A HA   1 
ATOM   1688 H  HB   . THR A 1 106 ? -14.11325 -16.97433 7.02788  1.000 11.28726 ? 102 THR A HB   1 
ATOM   1689 H  HG1  . THR A 1 106 ? -12.13610 -18.74344 7.14116  1.000 13.78222 ? 102 THR A HG1  1 
ATOM   1690 H  HG21 . THR A 1 106 ? -12.58827 -16.51893 8.71987  1.000 11.82999 ? 102 THR A HG21 1 
ATOM   1691 H  HG22 . THR A 1 106 ? -13.93670 -17.00152 9.38421  1.000 11.82999 ? 102 THR A HG22 1 
ATOM   1692 H  HG23 . THR A 1 106 ? -12.71685 -17.99624 9.26165  1.000 11.82999 ? 102 THR A HG23 1 
ATOM   1693 N  N    . LYS A 1 107 ? -15.53089 -20.48932 6.03592  1.000 12.20195 ? 103 LYS A N    1 
ATOM   1694 C  CA   A LYS A 1 107 ? -16.09508 -20.94509 4.77396  0.532 12.95642 ? 103 LYS A CA   1 
ATOM   1695 C  CA   B LYS A 1 107 ? -16.08702 -20.95669 4.77831  0.468 13.37085 ? 103 LYS A CA   1 
ATOM   1696 C  C    . LYS A 1 107 ? -17.58284 -20.68606 4.69629  1.000 16.60021 ? 103 LYS A C    1 
ATOM   1697 O  O    . LYS A 1 107 ? -18.29732 -20.79098 5.70988  1.000 18.21385 ? 103 LYS A O    1 
ATOM   1698 C  CB   A LYS A 1 107 ? -15.85024 -22.43820 4.58425  0.532 20.98530 ? 103 LYS A CB   1 
ATOM   1699 C  CB   B LYS A 1 107 ? -15.80851 -22.46042 4.64140  0.468 20.14181 ? 103 LYS A CB   1 
ATOM   1700 C  CG   A LYS A 1 107 ? -14.40351 -22.84401 4.47530  0.532 15.51532 ? 103 LYS A CG   1 
ATOM   1701 C  CG   B LYS A 1 107 ? -14.76926 -22.83420 3.59159  0.468 26.21538 ? 103 LYS A CG   1 
ATOM   1702 C  CD   A LYS A 1 107 ? -14.31776 -24.35607 4.34782  0.532 22.46693 ? 103 LYS A CD   1 
ATOM   1703 C  CD   B LYS A 1 107 ? -13.80920 -23.94217 4.04486  0.468 27.55348 ? 103 LYS A CD   1 
ATOM   1704 C  CE   A LYS A 1 107 ? -12.89342 -24.83759 4.15768  0.532 22.38275 ? 103 LYS A CE   1 
ATOM   1705 C  CE   B LYS A 1 107 ? -14.50535 -25.09541 4.76647  0.468 24.33705 ? 103 LYS A CE   1 
ATOM   1706 N  NZ   A LYS A 1 107 ? -12.85797 -26.32503 4.11011  0.532 29.27037 ? 103 LYS A NZ   1 
ATOM   1707 N  NZ   B LYS A 1 107 ? -13.64608 -26.32303 4.83504  0.468 22.75831 ? 103 LYS A NZ   1 
ATOM   1708 O  OXT  A LYS A 1 107 ? -18.09383 -20.39112 3.60438  0.532 18.83242 ? 103 LYS A OXT  1 
ATOM   1709 O  OXT  B LYS A 1 107 ? -18.09450 -20.38241 3.60879  0.468 19.13751 ? 103 LYS A OXT  1 
ATOM   1710 H  H    . LYS A 1 107 ? -15.35062 -21.12781 6.58313  1.000 14.66591 ? 103 LYS A H    1 
ATOM   1711 H  HA   . LYS A 1 107 ? -15.65901 -20.45517 4.05931  1.000 16.06858 ? 103 LYS A HA   1 
ATOM   1712 H  HB2  A LYS A 1 107 ? -16.22666 -22.90890 5.34428  0.532 25.20592 ? 103 LYS A HB2  1 
ATOM   1713 H  HB2  B LYS A 1 107 ? -15.49020 -22.79197 5.49559  0.468 24.19373 ? 103 LYS A HB2  1 
ATOM   1714 H  HB3  A LYS A 1 107 ? -16.29221 -22.71934 3.76783  0.532 25.20592 ? 103 LYS A HB3  1 
ATOM   1715 H  HB3  B LYS A 1 107 ? -16.63659 -22.90462 4.40082  0.468 24.19373 ? 103 LYS A HB3  1 
ATOM   1716 H  HG2  A LYS A 1 107 ? -14.00527 -22.43889 3.68905  0.532 18.64194 ? 103 LYS A HG2  1 
ATOM   1717 H  HG2  B LYS A 1 107 ? -15.22667 -23.14647 2.79525  0.468 31.48203 ? 103 LYS A HG2  1 
ATOM   1718 H  HG3  A LYS A 1 107 ? -13.92224 -22.56754 5.27081  0.532 18.64194 ? 103 LYS A HG3  1 
ATOM   1719 H  HG3  B LYS A 1 107 ? -14.23836 -22.04961 3.38310  0.468 31.48203 ? 103 LYS A HG3  1 
ATOM   1720 H  HD2  A LYS A 1 107 ? -14.66857 -24.76386 5.15500  0.532 26.98388 ? 103 LYS A HD2  1 
ATOM   1721 H  HD2  B LYS A 1 107 ? -13.36172 -24.30740 3.26559  0.468 33.08775 ? 103 LYS A HD2  1 
ATOM   1722 H  HD3  A LYS A 1 107 ? -14.83721 -24.64061 3.57963  0.532 26.98388 ? 103 LYS A HD3  1 
ATOM   1723 H  HD3  B LYS A 1 107 ? -13.15711 -23.56207 4.65412  0.468 33.08775 ? 103 LYS A HD3  1 
ATOM   1724 H  HE2  A LYS A 1 107 ? -12.54050 -24.49139 3.32311  0.532 26.88286 ? 103 LYS A HE2  1 
ATOM   1725 H  HE2  B LYS A 1 107 ? -14.71556 -24.82291 5.67336  0.468 29.22803 ? 103 LYS A HE2  1 
ATOM   1726 H  HE3  A LYS A 1 107 ? -12.34552 -24.53716 4.89960  0.532 26.88286 ? 103 LYS A HE3  1 
ATOM   1727 H  HE3  B LYS A 1 107 ? -15.31976 -25.32301 4.29124  0.468 29.22803 ? 103 LYS A HE3  1 
ATOM   1728 H  HZ1  A LYS A 1 107 ? -12.02348 -26.60561 3.97970  0.532 35.14801 ? 103 LYS A HZ1  1 
ATOM   1729 H  HZ1  B LYS A 1 107 ? -14.12436 -27.01327 5.12987  0.468 27.33354 ? 103 LYS A HZ1  1 
ATOM   1730 H  HZ2  A LYS A 1 107 ? -13.15925 -26.66138 4.87705  0.532 35.14801 ? 103 LYS A HZ2  1 
ATOM   1731 H  HZ2  B LYS A 1 107 ? -13.32703 -26.51679 4.02710  0.468 27.33354 ? 103 LYS A HZ2  1 
ATOM   1732 H  HZ3  A LYS A 1 107 ? -13.36942 -26.62057 3.44440  0.532 35.14801 ? 103 LYS A HZ3  1 
ATOM   1733 H  HZ3  B LYS A 1 107 ? -12.96376 -26.18640 5.38990  0.468 27.33354 ? 103 LYS A HZ3  1 
ATOM   1734 N  N    . GLY B 1 1   ? -21.91114 -5.24253  46.61164 1.000 28.89728 ? -3  GLY B N    1 
ATOM   1735 C  CA   . GLY B 1 1   ? -22.62480 -6.44398  46.22093 1.000 32.03730 ? -3  GLY B CA   1 
ATOM   1736 C  C    . GLY B 1 1   ? -22.19026 -6.87248  44.83239 1.000 25.76725 ? -3  GLY B C    1 
ATOM   1737 O  O    . GLY B 1 1   ? -21.50949 -6.10843  44.13055 1.000 31.13098 ? -3  GLY B O    1 
ATOM   1738 H  HA2  . GLY B 1 1   ? -22.43475 -7.15989  46.84722 1.000 38.46832 ? -3  GLY B HA2  1 
ATOM   1739 H  HA3  . GLY B 1 1   ? -23.57983 -6.27430  46.21558 1.000 38.46832 ? -3  GLY B HA3  1 
ATOM   1740 N  N    . VAL B 1 2   ? -22.55204 -8.09274  44.44061 1.000 29.44752 ? -2  VAL B N    1 
ATOM   1741 C  CA   . VAL B 1 2   ? -22.13477 -8.65071  43.16019 1.000 22.93822 ? -2  VAL B CA   1 
ATOM   1742 C  C    . VAL B 1 2   ? -23.34716 -9.31680  42.51766 1.000 24.45649 ? -2  VAL B C    1 
ATOM   1743 O  O    . VAL B 1 2   ? -24.03028 -10.11731 43.17444 1.000 26.45553 ? -2  VAL B O    1 
ATOM   1744 C  CB   . VAL B 1 2   ? -20.97446 -9.64793  43.34384 1.000 21.18531 ? -2  VAL B CB   1 
ATOM   1745 C  CG1  . VAL B 1 2   ? -20.48189 -10.16781 42.01479 1.000 20.21747 ? -2  VAL B CG1  1 
ATOM   1746 C  CG2  . VAL B 1 2   ? -19.82049 -8.99676  44.11309 1.000 32.03125 ? -2  VAL B CG2  1 
ATOM   1747 H  H    . VAL B 1 2   ? -23.04506 -8.62160  44.90626 1.000 35.36059 ? -2  VAL B H    1 
ATOM   1748 H  HA   . VAL B 1 2   ? -21.82731 -7.93987  42.57617 1.000 27.54943 ? -2  VAL B HA   1 
ATOM   1749 H  HB   . VAL B 1 2   ? -21.30528 -10.40180 43.85682 1.000 25.44594 ? -2  VAL B HB   1 
ATOM   1750 H  HG11 . VAL B 1 2   ? -19.78314 -10.82221 42.17101 1.000 24.28453 ? -2  VAL B HG11 1 
ATOM   1751 H  HG12 . VAL B 1 2   ? -21.22221 -10.58059 41.54315 1.000 24.28453 ? -2  VAL B HG12 1 
ATOM   1752 H  HG13 . VAL B 1 2   ? -20.13122 -9.42687  41.49620 1.000 24.28453 ? -2  VAL B HG13 1 
ATOM   1753 H  HG21 . VAL B 1 2   ? -19.08681 -9.62816  44.17595 1.000 38.46107 ? -2  VAL B HG21 1 
ATOM   1754 H  HG22 . VAL B 1 2   ? -19.53287 -8.20172  43.63761 1.000 38.46107 ? -2  VAL B HG22 1 
ATOM   1755 H  HG23 . VAL B 1 2   ? -20.12822 -8.75775  45.00139 1.000 38.46107 ? -2  VAL B HG23 1 
ATOM   1756 N  N    . PRO B 1 3   ? -23.66836 -9.01443  41.26431 1.000 22.76548 ? -1  PRO B N    1 
ATOM   1757 C  CA   . PRO B 1 3   ? -24.76256 -9.73814  40.60692 1.000 22.10823 ? -1  PRO B CA   1 
ATOM   1758 C  C    . PRO B 1 3   ? -24.46902 -11.23077 40.54105 1.000 23.96179 ? -1  PRO B C    1 
ATOM   1759 O  O    . PRO B 1 3   ? -23.32235 -11.65080 40.38282 1.000 30.30020 ? -1  PRO B O    1 
ATOM   1760 C  CB   . PRO B 1 3   ? -24.83076 -9.10379  39.21133 1.000 21.66320 ? -1  PRO B CB   1 
ATOM   1761 C  CG   . PRO B 1 3   ? -23.60678 -8.30382  39.05756 1.000 35.25871 ? -1  PRO B CG   1 
ATOM   1762 C  CD   . PRO B 1 3   ? -23.08726 -7.97641  40.39681 1.000 24.57995 ? -1  PRO B CD   1 
ATOM   1763 H  HA   . PRO B 1 3   ? -25.60317 -9.58914  41.06744 1.000 26.55345 ? -1  PRO B HA   1 
ATOM   1764 H  HB2  . PRO B 1 3   ? -24.86940 -9.80216  38.53926 1.000 26.01941 ? -1  PRO B HB2  1 
ATOM   1765 H  HB3  . PRO B 1 3   ? -25.61766 -8.53999  39.14953 1.000 26.01941 ? -1  PRO B HB3  1 
ATOM   1766 H  HG2  . PRO B 1 3   ? -22.95168 -8.82089  38.56321 1.000 42.33401 ? -1  PRO B HG2  1 
ATOM   1767 H  HG3  . PRO B 1 3   ? -23.82006 -7.49003  38.57471 1.000 42.33401 ? -1  PRO B HG3  1 
ATOM   1768 H  HD2  . PRO B 1 3   ? -22.11840 -8.02172  40.40941 1.000 29.51951 ? -1  PRO B HD2  1 
ATOM   1769 H  HD3  . PRO B 1 3   ? -23.38175 -7.09436  40.67278 1.000 29.51951 ? -1  PRO B HD3  1 
ATOM   1770 N  N    . ALA B 1 4   ? -25.51599 -12.03289 40.73159 1.000 24.79011 ? 0   ALA B N    1 
ATOM   1771 C  CA   . ALA B 1 4   ? -25.42439 -13.44583 40.40685 1.000 22.94460 ? 0   ALA B CA   1 
ATOM   1772 C  C    . ALA B 1 4   ? -25.00252 -13.57080 38.95205 1.000 27.07536 ? 0   ALA B C    1 
ATOM   1773 O  O    . ALA B 1 4   ? -25.31490 -12.71309 38.12311 1.000 24.24010 ? 0   ALA B O    1 
ATOM   1774 C  CB   . ALA B 1 4   ? -26.77947 -14.12859 40.61216 1.000 27.42927 ? 0   ALA B CB   1 
ATOM   1775 H  H    . ALA B 1 4   ? -26.27823 -11.78486 41.04314 1.000 29.77170 ? 0   ALA B H    1 
ATOM   1776 H  HA   . ALA B 1 4   ? -24.78142 -13.89100 40.98072 1.000 27.55709 ? 0   ALA B HA   1 
ATOM   1777 H  HB1  . ALA B 1 4   ? -26.70049 -15.06539 40.37327 1.000 32.93869 ? 0   ALA B HB1  1 
ATOM   1778 H  HB2  . ALA B 1 4   ? -27.03714 -14.04533 41.54360 1.000 32.93869 ? 0   ALA B HB2  1 
ATOM   1779 H  HB3  . ALA B 1 4   ? -27.43920 -13.69750 40.04665 1.000 32.93869 ? 0   ALA B HB3  1 
ATOM   1780 N  N    . GLY B 1 5   ? -24.26664 -14.63485 38.64418 1.000 21.86865 ? 1   GLY B N    1 
ATOM   1781 C  CA   . GLY B 1 5   ? -23.70543 -14.79353 37.32785 1.000 19.22387 ? 1   GLY B CA   1 
ATOM   1782 C  C    . GLY B 1 5   ? -24.08426 -16.11497 36.68912 1.000 19.61692 ? 1   GLY B C    1 
ATOM   1783 O  O    . GLY B 1 5   ? -24.54427 -17.05037 37.34114 1.000 28.97833 ? 1   GLY B O    1 
ATOM   1784 H  H    . GLY B 1 5   ? -24.08286 -15.27524 39.18798 1.000 26.26594 ? 1   GLY B H    1 
ATOM   1785 H  HA2  . GLY B 1 5   ? -24.02196 -14.07701 36.75575 1.000 23.09221 ? 1   GLY B HA2  1 
ATOM   1786 H  HA3  . GLY B 1 5   ? -22.73809 -14.74879 37.38411 1.000 23.09221 ? 1   GLY B HA3  1 
ATOM   1787 N  N    . ASP B 1 6   ? -23.90479 -16.15671 35.38052 1.000 18.40630 ? 2   ASP B N    1 
ATOM   1788 C  CA   . ASP B 1 6   ? -24.15705 -17.34479 34.59440 1.000 20.97704 ? 2   ASP B CA   1 
ATOM   1789 C  C    . ASP B 1 6   ? -22.80654 -17.94055 34.22334 1.000 24.68036 ? 2   ASP B C    1 
ATOM   1790 O  O    . ASP B 1 6   ? -21.98905 -17.27961 33.56441 1.000 23.20983 ? 2   ASP B O    1 
ATOM   1791 C  CB   . ASP B 1 6   ? -24.96381 -17.00070 33.34498 1.000 23.64529 ? 2   ASP B CB   1 
ATOM   1792 C  CG   . ASP B 1 6   ? -25.26074 -18.21993 32.50476 1.000 42.90139 ? 2   ASP B CG   1 
ATOM   1793 O  OD1  . ASP B 1 6   ? -26.19766 -18.97479 32.83904 1.000 38.45580 ? 2   ASP B OD1  1 
ATOM   1794 O  OD2  . ASP B 1 6   ? -24.53609 -18.44388 31.52620 1.000 31.15171 ? 2   ASP B OD2  1 
ATOM   1795 H  H    . ASP B 1 6   ? -23.62929 -15.48738 34.91608 1.000 21.96972 ? 2   ASP B H    1 
ATOM   1796 H  HA   . ASP B 1 6   ? -24.66167 -17.99612 35.10629 1.000 25.19601 ? 2   ASP B HA   1 
ATOM   1797 H  HB2  . ASP B 1 6   ? -25.80797 -16.60347 33.61048 1.000 28.39792 ? 2   ASP B HB2  1 
ATOM   1798 H  HB3  . ASP B 1 6   ? -24.45888 -16.37506 32.80228 1.000 28.39792 ? 2   ASP B HB3  1 
ATOM   1799 N  N    . VAL B 1 7   ? -22.57907 -19.18487 34.65278 1.000 22.57094 ? 3   VAL B N    1 
ATOM   1800 C  CA   . VAL B 1 7   ? -21.28648 -19.83146 34.44574 1.000 18.94163 ? 3   VAL B CA   1 
ATOM   1801 C  C    . VAL B 1 7   ? -20.95771 -19.94222 32.96214 1.000 20.56940 ? 3   VAL B C    1 
ATOM   1802 O  O    . VAL B 1 7   ? -19.80795 -19.74102 32.56344 1.000 20.08442 ? 3   VAL B O    1 
ATOM   1803 C  CB   . VAL B 1 7   ? -21.23518 -21.19707 35.15832 1.000 20.84271 ? 3   VAL B CB   1 
ATOM   1804 C  CG1  . VAL B 1 7   ? -21.29948 -21.00185 36.68349 1.000 24.28375 ? 3   VAL B CG1  1 
ATOM   1805 C  CG2  . VAL B 1 7   ? -22.36030 -22.09504 34.68745 1.000 43.96661 ? 3   VAL B CG2  1 
ATOM   1806 H  H    . VAL B 1 7   ? -23.15377 -19.67420 35.06495 1.000 27.10870 ? 3   VAL B H    1 
ATOM   1807 H  HA   . VAL B 1 7   ? -20.60593 -19.26928 34.84786 1.000 22.75352 ? 3   VAL B HA   1 
ATOM   1808 H  HB   . VAL B 1 7   ? -20.39724 -21.63346 34.93850 1.000 25.03482 ? 3   VAL B HB   1 
ATOM   1809 H  HG11 . VAL B 1 7   ? -21.44807 -21.86226 37.10601 1.000 29.16407 ? 3   VAL B HG11 1 
ATOM   1810 H  HG12 . VAL B 1 7   ? -20.46010 -20.62380 36.98914 1.000 29.16407 ? 3   VAL B HG12 1 
ATOM   1811 H  HG13 . VAL B 1 7   ? -22.02985 -20.39932 36.89423 1.000 29.16407 ? 3   VAL B HG13 1 
ATOM   1812 H  HG21 . VAL B 1 7   ? -22.24900 -22.97410 35.08212 1.000 52.78349 ? 3   VAL B HG21 1 
ATOM   1813 H  HG22 . VAL B 1 7   ? -23.20716 -21.71242 34.96552 1.000 52.78349 ? 3   VAL B HG22 1 
ATOM   1814 H  HG23 . VAL B 1 7   ? -22.32852 -22.16030 33.72017 1.000 52.78349 ? 3   VAL B HG23 1 
ATOM   1815 N  N    . GLU B 1 8   ? -21.94808 -20.25372 32.11499 1.000 21.15046 ? 4   GLU B N    1 
ATOM   1816 C  CA   . GLU B 1 8   ? -21.62365 -20.46907 30.70562 1.000 20.47415 ? 4   GLU B CA   1 
ATOM   1817 C  C    . GLU B 1 8   ? -21.28837 -19.16474 30.00837 1.000 19.98822 ? 4   GLU B C    1 
ATOM   1818 O  O    . GLU B 1 8   ? -20.33704 -19.10654 29.23075 1.000 19.19118 ? 4   GLU B O    1 
ATOM   1819 C  CB   . GLU B 1 8   ? -22.72786 -21.24702 29.99453 1.000 27.23967 ? 4   GLU B CB   1 
ATOM   1820 C  CG   . GLU B 1 8   ? -22.75596 -22.72708 30.39632 1.000 35.93973 ? 4   GLU B CG   1 
ATOM   1821 C  CD   . GLU B 1 8   ? -21.41944 -23.44625 30.18168 1.000 46.96145 ? 4   GLU B CD   1 
ATOM   1822 O  OE1  . GLU B 1 8   ? -20.86779 -23.38578 29.05877 1.000 41.20733 ? 4   GLU B OE1  1 
ATOM   1823 O  OE2  . GLU B 1 8   ? -20.91302 -24.06871 31.14196 1.000 39.82706 ? 4   GLU B OE2  1 
ATOM   1824 H  H    . GLU B 1 8   ? -22.77806 -20.34222 32.32212 1.000 25.40412 ? 4   GLU B H    1 
ATOM   1825 H  HA   . GLU B 1 8   ? -20.83303 -21.02860 30.65325 1.000 24.59254 ? 4   GLU B HA   1 
ATOM   1826 H  HB2  . GLU B 1 8   ? -23.58646 -20.85679 30.22130 1.000 32.71117 ? 4   GLU B HB2  1 
ATOM   1827 H  HB3  . GLU B 1 8   ? -22.58353 -21.19745 29.03661 1.000 32.71117 ? 4   GLU B HB3  1 
ATOM   1828 H  HG2  . GLU B 1 8   ? -22.97934 -22.79148 31.33805 1.000 43.15125 ? 4   GLU B HG2  1 
ATOM   1829 H  HG3  . GLU B 1 8   ? -23.42673 -23.18307 29.86431 1.000 43.15125 ? 4   GLU B HG3  1 
ATOM   1830 N  N    . LYS B 1 9   ? -22.02898 -18.09748 30.28830 1.000 20.22392 ? 5   LYS B N    1 
ATOM   1831 C  CA   . LYS B 1 9   ? -21.61779 -16.79682 29.77765 1.000 16.05603 ? 5   LYS B CA   1 
ATOM   1832 C  C    . LYS B 1 9   ? -20.23848 -16.40029 30.30891 1.000 17.61234 ? 5   LYS B C    1 
ATOM   1833 O  O    . LYS B 1 9   ? -19.44814 -15.78374 29.59731 1.000 16.05356 ? 5   LYS B O    1 
ATOM   1834 C  CB   . LYS B 1 9   ? -22.64042 -15.74323 30.16416 1.000 17.80575 ? 5   LYS B CB   1 
ATOM   1835 C  CG   . LYS B 1 9   ? -23.98533 -15.91805 29.45637 1.000 25.25736 ? 5   LYS B CG   1 
ATOM   1836 C  CD   . LYS B 1 9   ? -25.00494 -14.87954 29.87276 1.000 31.00001 ? 5   LYS B CD   1 
ATOM   1837 C  CE   . LYS B 1 9   ? -26.32006 -15.10425 29.14340 1.000 55.39195 ? 5   LYS B CE   1 
ATOM   1838 N  NZ   . LYS B 1 9   ? -27.41802 -14.26956 29.69967 1.000 73.62237 ? 5   LYS B NZ   1 
ATOM   1839 H  H    . LYS B 1 9   ? -22.75061 -18.09707 30.75610 1.000 24.29227 ? 5   LYS B H    1 
ATOM   1840 H  HA   . LYS B 1 9   ? -21.57108 -16.84568 28.81000 1.000 19.29081 ? 5   LYS B HA   1 
ATOM   1841 H  HB2  . LYS B 1 9   ? -22.79757 -15.79438 31.11998 1.000 21.39047 ? 5   LYS B HB2  1 
ATOM   1842 H  HB3  . LYS B 1 9   ? -22.29251 -14.86817 29.93151 1.000 21.39047 ? 5   LYS B HB3  1 
ATOM   1843 H  HG2  . LYS B 1 9   ? -23.85169 -15.83964 28.49883 1.000 30.33240 ? 5   LYS B HG2  1 
ATOM   1844 H  HG3  . LYS B 1 9   ? -24.34444 -16.79327 29.67067 1.000 30.33240 ? 5   LYS B HG3  1 
ATOM   1845 H  HD2  . LYS B 1 9   ? -25.16535 -14.94547 30.82713 1.000 37.22357 ? 5   LYS B HD2  1 
ATOM   1846 H  HD3  . LYS B 1 9   ? -24.67619 -13.99405 29.65200 1.000 37.22357 ? 5   LYS B HD3  1 
ATOM   1847 H  HE2  . LYS B 1 9   ? -26.20915 -14.87379 28.20773 1.000 66.49390 ? 5   LYS B HE2  1 
ATOM   1848 H  HE3  . LYS B 1 9   ? -26.57610 -16.03606 29.22747 1.000 66.49390 ? 5   LYS B HE3  1 
ATOM   1849 H  HZ1  . LYS B 1 9   ? -28.18275 -14.45650 29.28453 1.000 88.37041 ? 5   LYS B HZ1  1 
ATOM   1850 H  HZ2  . LYS B 1 9   ? -27.51398 -14.43297 30.56926 1.000 88.37041 ? 5   LYS B HZ2  1 
ATOM   1851 H  HZ3  . LYS B 1 9   ? -27.23153 -13.40667 29.58678 1.000 88.37041 ? 5   LYS B HZ3  1 
ATOM   1852 N  N    . GLY B 1 10  ? -19.95100 -16.69186 31.57773 1.000 16.84259 ? 6   GLY B N    1 
ATOM   1853 C  CA   . GLY B 1 10  ? -18.67019 -16.29737 32.13813 1.000 15.17574 ? 6   GLY B CA   1 
ATOM   1854 C  C    . GLY B 1 10  ? -17.52026 -17.11071 31.59648 1.000 14.43865 ? 6   GLY B C    1 
ATOM   1855 O  O    . GLY B 1 10  ? -16.38941 -16.61793 31.52353 1.000 14.85471 ? 6   GLY B O    1 
ATOM   1856 H  H    . GLY B 1 10  ? -20.47015 -17.10840 32.12232 1.000 20.23467 ? 6   GLY B H    1 
ATOM   1857 H  HA2  . GLY B 1 10  ? -18.50580 -15.36369 31.93286 1.000 18.09306 ? 6   GLY B HA2  1 
ATOM   1858 H  HA3  . GLY B 1 10  ? -18.69500 -16.40932 33.10133 1.000 18.09306 ? 6   GLY B HA3  1 
ATOM   1859 N  N    A LYS B 1 11  ? -17.77778 -18.36564 31.22287 0.466 15.72201 ? 7   LYS B N    1 
ATOM   1860 N  N    B LYS B 1 11  ? -17.78305 -18.36792 31.23487 0.534 15.03298 ? 7   LYS B N    1 
ATOM   1861 C  CA   A LYS B 1 11  ? -16.74439 -19.15713 30.56186 0.466 13.65369 ? 7   LYS B CA   1 
ATOM   1862 C  CA   B LYS B 1 11  ? -16.77443 -19.17907 30.55962 0.534 13.66479 ? 7   LYS B CA   1 
ATOM   1863 C  C    A LYS B 1 11  ? -16.32332 -18.51022 29.24907 0.466 13.79539 ? 7   LYS B C    1 
ATOM   1864 C  C    B LYS B 1 11  ? -16.33340 -18.52388 29.25589 0.534 13.28829 ? 7   LYS B C    1 
ATOM   1865 O  O    A LYS B 1 11  ? -15.13166 -18.47735 28.91923 0.466 14.67870 ? 7   LYS B O    1 
ATOM   1866 O  O    B LYS B 1 11  ? -15.13795 -18.49790 28.93936 0.534 13.60320 ? 7   LYS B O    1 
ATOM   1867 C  CB   A LYS B 1 11  ? -17.23334 -20.58698 30.31397 0.466 16.27816 ? 7   LYS B CB   1 
ATOM   1868 C  CB   B LYS B 1 11  ? -17.33060 -20.58298 30.29217 0.534 13.74943 ? 7   LYS B CB   1 
ATOM   1869 C  CG   A LYS B 1 11  ? -16.18637 -21.47299 29.62600 0.466 15.94301 ? 7   LYS B CG   1 
ATOM   1870 C  CG   B LYS B 1 11  ? -16.36429 -21.52011 29.56128 0.534 17.43601 ? 7   LYS B CG   1 
ATOM   1871 C  CD   A LYS B 1 11  ? -16.59307 -22.94670 29.59781 0.466 23.03438 ? 7   LYS B CD   1 
ATOM   1872 C  CD   B LYS B 1 11  ? -17.02043 -22.86271 29.20608 0.534 17.78426 ? 7   LYS B CD   1 
ATOM   1873 C  CE   A LYS B 1 11  ? -17.87232 -23.16764 28.80503 0.466 30.09813 ? 7   LYS B CE   1 
ATOM   1874 C  CE   B LYS B 1 11  ? -17.09992 -23.80491 30.39474 0.534 27.70401 ? 7   LYS B CE   1 
ATOM   1875 N  NZ   A LYS B 1 11  ? -18.26391 -24.61039 28.75464 0.466 32.51790 ? 7   LYS B NZ   1 
ATOM   1876 N  NZ   B LYS B 1 11  ? -15.74717 -24.29849 30.79096 0.534 35.82743 ? 7   LYS B NZ   1 
ATOM   1877 H  H    A LYS B 1 11  ? -18.52576 -18.77431 31.33742 0.466 18.88997 ? 7   LYS B H    1 
ATOM   1878 H  H    B LYS B 1 11  ? -18.53036 -18.77245 31.36711 0.534 18.06314 ? 7   LYS B H    1 
ATOM   1879 H  HA   A LYS B 1 11  ? -15.97267 -19.20641 31.14745 0.466 16.26659 ? 7   LYS B HA   1 
ATOM   1880 H  HA   B LYS B 1 11  ? -15.99793 -19.26511 31.13456 0.534 16.27992 ? 7   LYS B HA   1 
ATOM   1881 H  HB2  A LYS B 1 11  ? -17.45629 -20.99460 31.16546 0.466 19.55736 ? 7   LYS B HB2  1 
ATOM   1882 H  HB2  B LYS B 1 11  ? -17.55159 -20.99484 31.14213 0.534 16.38149 ? 7   LYS B HB2  1 
ATOM   1883 H  HB3  A LYS B 1 11  ? -18.01849 -20.55613 29.74522 0.466 19.55736 ? 7   LYS B HB3  1 
ATOM   1884 H  HB3  B LYS B 1 11  ? -18.12808 -20.50052 29.74617 0.534 16.38149 ? 7   LYS B HB3  1 
ATOM   1885 H  HG2  A LYS B 1 11  ? -16.07143 -21.17545 28.70994 0.466 19.15518 ? 7   LYS B HG2  1 
ATOM   1886 H  HG2  B LYS B 1 11  ? -16.07265 -21.09872 28.73771 0.534 20.94677 ? 7   LYS B HG2  1 
ATOM   1887 H  HG3  A LYS B 1 11  ? -15.34624 -21.40228 30.10567 0.466 19.15518 ? 7   LYS B HG3  1 
ATOM   1888 H  HG3  B LYS B 1 11  ? -15.60006 -21.69840 30.13142 0.534 20.94677 ? 7   LYS B HG3  1 
ATOM   1889 H  HD2  A LYS B 1 11  ? -15.88613 -23.46559 29.18322 0.466 27.66482 ? 7   LYS B HD2  1 
ATOM   1890 H  HD2  B LYS B 1 11  ? -17.92315 -22.70092 28.89013 0.534 21.36468 ? 7   LYS B HD2  1 
ATOM   1891 H  HD3  A LYS B 1 11  ? -16.74201 -23.25467 30.50549 0.466 27.66482 ? 7   LYS B HD3  1 
ATOM   1892 H  HD3  B LYS B 1 11  ? -16.49916 -23.29702 28.51286 0.534 21.36468 ? 7   LYS B HD3  1 
ATOM   1893 H  HE2  A LYS B 1 11  ? -18.59492 -22.67289 29.22213 0.466 36.14133 ? 7   LYS B HE2  1 
ATOM   1894 H  HE2  B LYS B 1 11  ? -17.48763 -23.33672 31.15064 0.534 33.26838 ? 7   LYS B HE2  1 
ATOM   1895 H  HE3  A LYS B 1 11  ? -17.74049 -22.85845 27.89513 0.466 36.14133 ? 7   LYS B HE3  1 
ATOM   1896 H  HE3  B LYS B 1 11  ? -17.64821 -24.57047 30.16196 0.534 33.26838 ? 7   LYS B HE3  1 
ATOM   1897 H  HZ1  A LYS B 1 11  ? -18.99833 -24.70943 28.26176 0.466 39.04505 ? 7   LYS B HZ1  1 
ATOM   1898 H  HZ1  B LYS B 1 11  ? -15.23630 -23.61544 31.04504 0.534 43.01648 ? 7   LYS B HZ1  1 
ATOM   1899 H  HZ2  A LYS B 1 11  ? -17.60743 -25.09160 28.39469 0.466 39.04505 ? 7   LYS B HZ2  1 
ATOM   1900 H  HZ2  B LYS B 1 11  ? -15.81870 -24.87284 31.46706 0.534 43.01648 ? 7   LYS B HZ2  1 
ATOM   1901 H  HZ3  A LYS B 1 11  ? -18.42506 -24.91095 29.57670 0.466 39.04505 ? 7   LYS B HZ3  1 
ATOM   1902 H  HZ3  B LYS B 1 11  ? -15.35939 -24.70898 30.10305 0.534 43.01648 ? 7   LYS B HZ3  1 
ATOM   1903 N  N    . LYS B 1 12  ? -17.29040 -17.97917 28.48636 1.000 13.64805 ? 8   LYS B N    1 
ATOM   1904 C  CA   . LYS B 1 12  ? -16.96051 -17.31196 27.22748 1.000 13.59939 ? 8   LYS B CA   1 
ATOM   1905 C  C    . LYS B 1 12  ? -16.13109 -16.05502 27.46632 1.000 14.36549 ? 8   LYS B C    1 
ATOM   1906 O  O    . LYS B 1 12  ? -15.12378 -15.82468 26.78640 1.000 12.69299 ? 8   LYS B O    1 
ATOM   1907 C  CB   . LYS B 1 12  ? -18.24773 -17.00006 26.47351 1.000 14.09313 ? 8   LYS B CB   1 
ATOM   1908 C  CG   . LYS B 1 12  ? -18.04287 -16.45594 25.08277 1.000 21.45777 ? 8   LYS B CG   1 
ATOM   1909 C  CD   . LYS B 1 12  ? -19.39044 -16.23417 24.41061 1.000 28.10538 ? 8   LYS B CD   1 
ATOM   1910 C  CE   . LYS B 1 12  ? -19.24774 -15.93465 22.93425 1.000 32.28976 ? 8   LYS B CE   1 
ATOM   1911 N  NZ   . LYS B 1 12  ? -20.55143 -16.09175 22.23603 1.000 31.03262 ? 8   LYS B NZ   1 
ATOM   1912 H  H    . LYS B 1 12  ? -18.13038 -17.98341 28.67081 1.000 16.25983 ? 8   LYS B H    1 
ATOM   1913 H  HA   . LYS B 1 12  ? -16.42563 -17.90318 26.67497 1.000 16.34284 ? 8   LYS B HA   1 
ATOM   1914 H  HB2  . LYS B 1 12  ? -18.76516 -17.81677 26.39506 1.000 16.93533 ? 8   LYS B HB2  1 
ATOM   1915 H  HB3  . LYS B 1 12  ? -18.74728 -16.33784 26.97632 1.000 16.93533 ? 8   LYS B HB3  1 
ATOM   1916 H  HG2  . LYS B 1 12  ? -17.57406 -15.60799 25.12857 1.000 25.77289 ? 8   LYS B HG2  1 
ATOM   1917 H  HG3  . LYS B 1 12  ? -17.53185 -17.08948 24.55516 1.000 25.77289 ? 8   LYS B HG3  1 
ATOM   1918 H  HD2  . LYS B 1 12  ? -19.93006 -17.03456 24.50593 1.000 33.75002 ? 8   LYS B HD2  1 
ATOM   1919 H  HD3  . LYS B 1 12  ? -19.83617 -15.48165 24.83006 1.000 33.75002 ? 8   LYS B HD3  1 
ATOM   1920 H  HE2  . LYS B 1 12  ? -18.94351 -15.02109 22.81698 1.000 38.77128 ? 8   LYS B HE2  1 
ATOM   1921 H  HE3  . LYS B 1 12  ? -18.61041 -16.54988 22.53902 1.000 38.77128 ? 8   LYS B HE3  1 
ATOM   1922 H  HZ1  . LYS B 1 12  ? -20.46462 -15.87586 21.37699 1.000 37.26271 ? 8   LYS B HZ1  1 
ATOM   1923 H  HZ2  . LYS B 1 12  ? -20.82872 -16.93537 22.29524 1.000 37.26271 ? 8   LYS B HZ2  1 
ATOM   1924 H  HZ3  . LYS B 1 12  ? -21.16145 -15.56048 22.60714 1.000 37.26271 ? 8   LYS B HZ3  1 
ATOM   1925 N  N    . ILE B 1 13  ? -16.47555 -15.26752 28.47970 1.000 13.63799 ? 9   ILE B N    1 
ATOM   1926 C  CA   . ILE B 1 13  ? -15.64423 -14.11422 28.81270 1.000 13.52302 ? 9   ILE B CA   1 
ATOM   1927 C  C    . ILE B 1 13  ? -14.24641 -14.56417 29.21287 1.000 12.92671 ? 9   ILE B C    1 
ATOM   1928 O  O    . ILE B 1 13  ? -13.25082 -13.96857 28.80397 1.000 12.74472 ? 9   ILE B O    1 
ATOM   1929 C  CB   . ILE B 1 13  ? -16.30222 -13.27612 29.91581 1.000 14.15413 ? 9   ILE B CB   1 
ATOM   1930 C  CG1  . ILE B 1 13  ? -17.58929 -12.65391 29.39662 1.000 16.72668 ? 9   ILE B CG1  1 
ATOM   1931 C  CG2  . ILE B 1 13  ? -15.36333 -12.21431 30.35667 1.000 15.16365 ? 9   ILE B CG2  1 
ATOM   1932 C  CD1  . ILE B 1 13  ? -18.47057 -12.16943 30.51903 1.000 17.68093 ? 9   ILE B CD1  1 
ATOM   1933 H  H    . ILE B 1 13  ? -17.16737 -15.37349 28.97945 1.000 16.24776 ? 9   ILE B H    1 
ATOM   1934 H  HA   . ILE B 1 13  ? -15.56404 -13.55766 28.02232 1.000 16.10980 ? 9   ILE B HA   1 
ATOM   1935 H  HB   . ILE B 1 13  ? -16.51480 -13.84967 30.66864 1.000 16.86712 ? 9   ILE B HB   1 
ATOM   1936 H  HG12 . ILE B 1 13  ? -17.37218 -11.89597 28.83155 1.000 20.09558 ? 9   ILE B HG12 1 
ATOM   1937 H  HG13 . ILE B 1 13  ? -18.08173 -13.31682 28.88774 1.000 20.09558 ? 9   ILE B HG13 1 
ATOM   1938 H  HG21 . ILE B 1 13  ? -15.84406 -11.57613 30.90669 1.000 18.21994 ? 9   ILE B HG21 1 
ATOM   1939 H  HG22 . ILE B 1 13  ? -14.64676 -12.61949 30.86975 1.000 18.21994 ? 9   ILE B HG22 1 
ATOM   1940 H  HG23 . ILE B 1 13  ? -14.99993 -11.76961 29.57495 1.000 18.21994 ? 9   ILE B HG23 1 
ATOM   1941 H  HD11 . ILE B 1 13  ? -19.26455 -11.75878 30.14239 1.000 21.24068 ? 9   ILE B HD11 1 
ATOM   1942 H  HD12 . ILE B 1 13  ? -18.72031 -12.92532 31.07324 1.000 21.24068 ? 9   ILE B HD12 1 
ATOM   1943 H  HD13 . ILE B 1 13  ? -17.98085 -11.51961 31.04707 1.000 21.24068 ? 9   ILE B HD13 1 
ATOM   1944 N  N    . PHE B 1 14  ? -14.15318 -15.58665 30.06387 1.000 12.87850 ? 10  PHE B N    1 
ATOM   1945 C  CA   . PHE B 1 14  ? -12.83453 -16.05295 30.49811 1.000 12.33966 ? 10  PHE B CA   1 
ATOM   1946 C  C    . PHE B 1 14  ? -11.98424 -16.46983 29.31143 1.000 11.69478 ? 10  PHE B C    1 
ATOM   1947 O  O    . PHE B 1 14  ? -10.81453 -16.08150 29.20100 1.000 11.30726 ? 10  PHE B O    1 
ATOM   1948 C  CB   . PHE B 1 14  ? -12.94301 -17.21241 31.49214 1.000 13.02204 ? 10  PHE B CB   1 
ATOM   1949 C  CG   . PHE B 1 14  ? -11.59072 -17.72830 31.92535 1.000 11.87559 ? 10  PHE B CG   1 
ATOM   1950 C  CD1  . PHE B 1 14  ? -10.88652 -17.08334 32.93044 1.000 13.22087 ? 10  PHE B CD1  1 
ATOM   1951 C  CD2  . PHE B 1 14  ? -10.99123 -18.78094 31.27296 1.000 13.49838 ? 10  PHE B CD2  1 
ATOM   1952 C  CE1  . PHE B 1 14  ? -9.62414  -17.50571 33.29017 1.000 13.91760 ? 10  PHE B CE1  1 
ATOM   1953 C  CE2  . PHE B 1 14  ? -9.73037  -19.20823 31.64862 1.000 13.35703 ? 10  PHE B CE2  1 
ATOM   1954 C  CZ   . PHE B 1 14  ? -9.05916  -18.55447 32.64336 1.000 11.65491 ? 10  PHE B CZ   1 
ATOM   1955 H  H    . PHE B 1 14  ? -14.81800 -16.01821 30.39758 1.000 15.33637 ? 10  PHE B H    1 
ATOM   1956 H  HA   . PHE B 1 14  ? -12.40377 -15.31478 30.95686 1.000 14.68976 ? 10  PHE B HA   1 
ATOM   1957 H  HB2  . PHE B 1 14  ? -13.41761 -16.90951 32.28202 1.000 15.65002 ? 10  PHE B HB2  1 
ATOM   1958 H  HB3  . PHE B 1 14  ? -13.42542 -17.94340 31.07520 1.000 15.65002 ? 10  PHE B HB3  1 
ATOM   1959 H  HD1  . PHE B 1 14  ? -11.27003 -16.35733 33.36716 1.000 15.88861 ? 10  PHE B HD1  1 
ATOM   1960 H  HD2  . PHE B 1 14  ? -11.43580 -19.20719 30.57614 1.000 16.22162 ? 10  PHE B HD2  1 
ATOM   1961 H  HE1  . PHE B 1 14  ? -9.16309  -17.07360 33.97252 1.000 16.72468 ? 10  PHE B HE1  1 
ATOM   1962 H  HE2  . PHE B 1 14  ? -9.34040  -19.93867 31.22522 1.000 16.05200 ? 10  PHE B HE2  1 
ATOM   1963 H  HZ   . PHE B 1 14  ? -8.20376  -18.83266 32.87959 1.000 14.00946 ? 10  PHE B HZ   1 
ATOM   1964 N  N    . VAL B 1 15  ? -12.53833 -17.28605 28.42789 1.000 11.64470 ? 11  VAL B N    1 
ATOM   1965 C  CA   . VAL B 1 15  ? -11.74661 -17.78391 27.30808 1.000 11.35565 ? 11  VAL B CA   1 
ATOM   1966 C  C    . VAL B 1 15  ? -11.30335 -16.63033 26.42405 1.000 11.45092 ? 11  VAL B C    1 
ATOM   1967 O  O    . VAL B 1 15  ? -10.13797 -16.55976 26.02074 1.000 12.04181 ? 11  VAL B O    1 
ATOM   1968 C  CB   . VAL B 1 15  ? -12.50117 -18.87188 26.51627 1.000 12.40131 ? 11  VAL B CB   1 
ATOM   1969 C  CG1  . VAL B 1 15  ? -12.65757 -20.16281 27.34202 1.000 14.84473 ? 11  VAL B CG1  1 
ATOM   1970 C  CG2  . VAL B 1 15  ? -13.80573 -18.37674 25.99549 1.000 31.07458 ? 11  VAL B CG2  1 
ATOM   1971 H  H    . VAL B 1 15  ? -13.35200 -17.56373 28.44878 1.000 13.85581 ? 11  VAL B H    1 
ATOM   1972 H  HA   . VAL B 1 15  ? -10.95261 -18.20843 27.66897 1.000 13.65035 ? 11  VAL B HA   1 
ATOM   1973 H  HB   . VAL B 1 15  ? -11.96555 -19.09766 25.73971 1.000 14.90513 ? 11  VAL B HB   1 
ATOM   1974 H  HG11 . VAL B 1 15  ? -12.93615 -20.88210 26.75387 1.000 17.83724 ? 11  VAL B HG11 1 
ATOM   1975 H  HG12 . VAL B 1 15  ? -11.80559 -20.38119 27.75109 1.000 17.83724 ? 11  VAL B HG12 1 
ATOM   1976 H  HG13 . VAL B 1 15  ? -13.32717 -20.01910 28.02896 1.000 17.83724 ? 11  VAL B HG13 1 
ATOM   1977 H  HG21 . VAL B 1 15  ? -14.27432 -19.11077 25.56827 1.000 37.31306 ? 11  VAL B HG21 1 
ATOM   1978 H  HG22 . VAL B 1 15  ? -14.33163 -18.03442 26.73518 1.000 37.31306 ? 11  VAL B HG22 1 
ATOM   1979 H  HG23 . VAL B 1 15  ? -13.64108 -17.67007 25.35174 1.000 37.31306 ? 11  VAL B HG23 1 
ATOM   1980 N  N    . GLN B 1 16  ? -12.20236 -15.67321 26.15905 1.000 11.38838 ? 12  GLN B N    1 
ATOM   1981 C  CA   . GLN B 1 16  ? -11.90630 -14.58418 25.21991 1.000 11.32256 ? 12  GLN B CA   1 
ATOM   1982 C  C    . GLN B 1 16  ? -11.04748 -13.46829 25.81861 1.000 11.81858 ? 12  GLN B C    1 
ATOM   1983 O  O    . GLN B 1 16  ? -10.35041 -12.76337 25.07248 1.000 13.53144 ? 12  GLN B O    1 
ATOM   1984 C  CB   . GLN B 1 16  ? -13.20159 -13.98727 24.65836 1.000 13.00863 ? 12  GLN B CB   1 
ATOM   1985 C  CG   . GLN B 1 16  ? -14.05667 -15.00211 23.87309 1.000 12.23724 ? 12  GLN B CG   1 
ATOM   1986 C  CD   . GLN B 1 16  ? -15.18518 -14.37070 23.12854 1.000 15.98833 ? 12  GLN B CD   1 
ATOM   1987 O  OE1  . GLN B 1 16  ? -15.48976 -13.17831 23.29725 1.000 19.65363 ? 12  GLN B OE1  1 
ATOM   1988 N  NE2  . GLN B 1 16  ? -15.81811 -15.15603 22.27774 1.000 15.10070 ? 12  GLN B NE2  1 
ATOM   1989 H  H    . GLN B 1 16  ? -12.98754 -15.63029 26.50726 1.000 13.54823 ? 12  GLN B H    1 
ATOM   1990 H  HA   . GLN B 1 16  ? -11.40249 -14.97322 24.48797 1.000 13.46924 ? 12  GLN B HA   1 
ATOM   1991 H  HB2  . GLN B 1 16  ? -13.73754 -13.65414 25.39503 1.000 15.63392 ? 12  GLN B HB2  1 
ATOM   1992 H  HB3  . GLN B 1 16  ? -12.97600 -13.26041 24.05695 1.000 15.63392 ? 12  GLN B HB3  1 
ATOM   1993 H  HG2  . GLN B 1 16  ? -13.49192 -15.45651 23.22852 1.000 14.70826 ? 12  GLN B HG2  1 
ATOM   1994 H  HG3  . GLN B 1 16  ? -14.43275 -15.64411 24.49543 1.000 14.70826 ? 12  GLN B HG3  1 
ATOM   1995 H  HE21 . GLN B 1 16  ? -15.57103 -15.97421 22.18224 1.000 18.14440 ? 12  GLN B HE21 1 
ATOM   1996 H  HE22 . GLN B 1 16  ? -16.47770 -14.84967 21.81873 1.000 18.14440 ? 12  GLN B HE22 1 
ATOM   1997 N  N    . ARG B 1 17  ? -11.10391 -13.26262 27.13727 1.000 11.53968 ? 13  ARG B N    1 
ATOM   1998 C  CA   . ARG B 1 17  ? -10.42292 -12.12644 27.75621 1.000 11.62070 ? 13  ARG B CA   1 
ATOM   1999 C  C    . ARG B 1 17  ? -9.30796  -12.49380 28.72466 1.000 11.28866 ? 13  ARG B C    1 
ATOM   2000 O  O    . ARG B 1 17  ? -8.50565  -11.61063 29.05798 1.000 15.85391 ? 13  ARG B O    1 
ATOM   2001 C  CB   . ARG B 1 17  ? -11.41556 -11.22697 28.51242 1.000 12.38692 ? 13  ARG B CB   1 
ATOM   2002 C  CG   . ARG B 1 17  ? -12.58135 -10.73435 27.67835 1.000 16.73548 ? 13  ARG B CG   1 
ATOM   2003 C  CD   . ARG B 1 17  ? -12.17682 -9.95346  26.43917 1.000 19.06398 ? 13  ARG B CD   1 
ATOM   2004 N  NE   . ARG B 1 17  ? -11.29650 -8.80653  26.69170 1.000 20.49140 ? 13  ARG B NE   1 
ATOM   2005 C  CZ   . ARG B 1 17  ? -11.70995 -7.58393  27.03957 1.000 25.14300 ? 13  ARG B CZ   1 
ATOM   2006 N  NH1  . ARG B 1 17  ? -12.99646 -7.32546  27.21874 1.000 22.22743 ? 13  ARG B NH1  1 
ATOM   2007 N  NH2  . ARG B 1 17  ? -10.82436 -6.60320  27.22265 1.000 25.10631 ? 13  ARG B NH2  1 
ATOM   2008 H  H    . ARG B 1 17  ? -11.52896 -13.76635 27.68972 1.000 13.72978 ? 13  ARG B H    1 
ATOM   2009 H  HA   . ARG B 1 17  ? -10.03094 -11.60848 27.03582 1.000 13.82701 ? 13  ARG B HA   1 
ATOM   2010 H  HB2  . ARG B 1 17  ? -11.78053 -11.72877 29.25800 1.000 14.88787 ? 13  ARG B HB2  1 
ATOM   2011 H  HB3  . ARG B 1 17  ? -10.93909 -10.44756 28.83860 1.000 14.88787 ? 13  ARG B HB3  1 
ATOM   2012 H  HG2  . ARG B 1 17  ? -13.09967 -11.50031 27.38583 1.000 20.10615 ? 13  ARG B HG2  1 
ATOM   2013 H  HG3  . ARG B 1 17  ? -13.13061 -10.15156 28.22567 1.000 20.10615 ? 13  ARG B HG3  1 
ATOM   2014 H  HD2  . ARG B 1 17  ? -11.70825 -10.55239 25.83698 1.000 22.90034 ? 13  ARG B HD2  1 
ATOM   2015 H  HD3  . ARG B 1 17  ? -12.97960 -9.61523  26.01251 1.000 22.90034 ? 13  ARG B HD3  1 
ATOM   2016 H  HE   . ARG B 1 17  ? -10.44948 -8.93065  26.60954 1.000 24.61324 ? 13  ARG B HE   1 
ATOM   2017 H  HH11 . ARG B 1 17  ? -13.57928 -7.94866  27.11133 1.000 26.69648 ? 13  ARG B HH11 1 
ATOM   2018 H  HH12 . ARG B 1 17  ? -13.24903 -6.53443  27.44250 1.000 26.69648 ? 13  ARG B HH12 1 
ATOM   2019 H  HH21 . ARG B 1 17  ? -9.98480  -6.75667  27.11689 1.000 30.15113 ? 13  ARG B HH21 1 
ATOM   2020 H  HH22 . ARG B 1 17  ? -11.09301 -5.81749  27.44645 1.000 30.15113 ? 13  ARG B HH22 1 
ATOM   2021 N  N    . CYS B 1 18  ? -9.24490  -13.71657 29.20827 1.000 12.20757 ? 14  CYS B N    1 
ATOM   2022 C  CA   . CYS B 1 18  ? -8.32329  -14.05981 30.29965 1.000 10.17148 ? 14  CYS B CA   1 
ATOM   2023 C  C    . CYS B 1 18  ? -7.44114  -15.25570 29.98762 1.000 11.30229 ? 14  CYS B C    1 
ATOM   2024 O  O    . CYS B 1 18  ? -6.27285  -15.28893 30.41347 1.000 11.12341 ? 14  CYS B O    1 
ATOM   2025 C  CB   . CYS B 1 18  ? -9.10329  -14.41389 31.58650 1.000 11.30416 ? 14  CYS B CB   1 
ATOM   2026 S  SG   . CYS B 1 18  ? -10.45803 -13.31472 32.01589 1.000 11.97014 ? 14  CYS B SG   1 
ATOM   2027 H  H    . CYS B 1 18  ? -9.72238  -14.37458 28.92784 1.000 14.67265 ? 14  CYS B H    1 
ATOM   2028 H  HA   . CYS B 1 18  ? -7.77004  -13.27805 30.45350 1.000 12.22934 ? 14  CYS B HA   1 
ATOM   2029 H  HB2  . CYS B 1 18  ? -9.47827  -15.30194 31.47854 1.000 13.58856 ? 14  CYS B HB2  1 
ATOM   2030 H  HB3  . CYS B 1 18  ? -8.48053  -14.40489 32.33013 1.000 13.58856 ? 14  CYS B HB3  1 
ATOM   2031 N  N    . ALA B 1 19  ? -7.96836  -16.24247 29.25926 1.000 10.63172 ? 15  ALA B N    1 
ATOM   2032 C  CA   . ALA B 1 19  ? -7.24786  -17.49353 29.06698 1.000 10.68530 ? 15  ALA B CA   1 
ATOM   2033 C  C    . ALA B 1 19  ? -5.92853  -17.30248 28.31952 1.000 11.67574 ? 15  ALA B C    1 
ATOM   2034 O  O    . ALA B 1 19  ? -5.03453  -18.15416 28.43062 1.000 12.35476 ? 15  ALA B O    1 
ATOM   2035 C  CB   . ALA B 1 19  ? -8.13976  -18.49427 28.31037 1.000 10.86072 ? 15  ALA B CB   1 
ATOM   2036 H  H    . ALA B 1 19  ? -8.73462  -16.21145 28.87005 1.000 12.78163 ? 15  ALA B H    1 
ATOM   2037 H  HA   . ALA B 1 19  ? -7.03804  -17.86753 29.93704 1.000 12.70453 ? 15  ALA B HA   1 
ATOM   2038 H  HB1  . ALA B 1 19  ? -7.62883  -19.29875 28.12965 1.000 13.05643 ? 15  ALA B HB1  1 
ATOM   2039 H  HB2  . ALA B 1 19  ? -8.91040  -18.70818 28.85925 1.000 13.05643 ? 15  ALA B HB2  1 
ATOM   2040 H  HB3  . ALA B 1 19  ? -8.42901  -18.09181 27.47654 1.000 13.05643 ? 15  ALA B HB3  1 
ATOM   2041 N  N    . GLN B 1 20  ? -5.79441  -16.22552 27.53262 1.000 12.34942 ? 16  GLN B N    1 
ATOM   2042 C  CA   . GLN B 1 20  ? -4.50269  -15.91826 26.91777 1.000 12.81827 ? 16  GLN B CA   1 
ATOM   2043 C  C    . GLN B 1 20  ? -3.37001  -16.00027 27.94508 1.000 13.85730 ? 16  GLN B C    1 
ATOM   2044 O  O    . GLN B 1 20  ? -2.25686  -16.47472 27.64178 1.000 15.50020 ? 16  GLN B O    1 
ATOM   2045 C  CB   . GLN B 1 20  ? -4.55213  -14.52095 26.28481 1.000 13.86735 ? 16  GLN B CB   1 
ATOM   2046 C  CG   . GLN B 1 20  ? -3.17417  -13.94621 25.88818 1.000 29.43861 ? 16  GLN B CG   1 
ATOM   2047 C  CD   . GLN B 1 20  ? -3.15750  -12.43016 25.78468 1.000 26.56173 ? 16  GLN B CD   1 
ATOM   2048 O  OE1  . GLN B 1 20  ? -4.22070  -11.76485 25.75526 1.000 16.69218 ? 16  GLN B OE1  1 
ATOM   2049 N  NE2  . GLN B 1 20  ? -1.93434  -11.86275 25.72766 1.000 21.70469 ? 16  GLN B NE2  1 
ATOM   2050 H  H    . GLN B 1 20  ? -6.42239  -15.66927 27.34333 1.000 14.84287 ? 16  GLN B H    1 
ATOM   2051 H  HA   . GLN B 1 20  ? -4.32114  -16.56380 26.21690 1.000 15.40549 ? 16  GLN B HA   1 
ATOM   2052 H  HB2  . GLN B 1 20  ? -5.09312  -14.56527 25.48091 1.000 16.66439 ? 16  GLN B HB2  1 
ATOM   2053 H  HB3  . GLN B 1 20  ? -4.95277  -13.90799 26.92094 1.000 16.66439 ? 16  GLN B HB3  1 
ATOM   2054 H  HG2  . GLN B 1 20  ? -2.52209  -14.20523 26.55796 1.000 35.34990 ? 16  GLN B HG2  1 
ATOM   2055 H  HG3  . GLN B 1 20  ? -2.92199  -14.30560 25.02322 1.000 35.34990 ? 16  GLN B HG3  1 
ATOM   2056 H  HE21 . GLN B 1 20  ? -1.23011  -12.35583 25.75066 1.000 26.06919 ? 16  GLN B HE21 1 
ATOM   2057 H  HE22 . GLN B 1 20  ? -1.85913  -11.00811 25.66833 1.000 26.06919 ? 16  GLN B HE22 1 
ATOM   2058 N  N    . CYS B 1 21  ? -3.64353  -15.57066 29.17557 1.000 11.68628 ? 17  CYS B N    1 
ATOM   2059 C  CA   . CYS B 1 21  ? -2.62606  -15.43587 30.20862 1.000 12.46727 ? 17  CYS B CA   1 
ATOM   2060 C  C    . CYS B 1 21  ? -2.82766  -16.33336 31.42089 1.000 11.78854 ? 17  CYS B C    1 
ATOM   2061 O  O    . CYS B 1 21  ? -1.93651  -16.37102 32.28344 1.000 14.67097 ? 17  CYS B O    1 
ATOM   2062 C  CB   . CYS B 1 21  ? -2.55751  -13.97980 30.69748 1.000 13.31426 ? 17  CYS B CB   1 
ATOM   2063 S  SG   . CYS B 1 21  ? -2.12765  -12.85783 29.36663 1.000 12.98424 ? 17  CYS B SG   1 
ATOM   2064 H  H    . CYS B 1 21  ? -4.43077  -15.34656 29.43945 1.000 14.04711 ? 17  CYS B H    1 
ATOM   2065 H  HA   . CYS B 1 21  ? -1.77268  -15.67303 29.81314 1.000 14.98429 ? 17  CYS B HA   1 
ATOM   2066 H  HB2  . CYS B 1 21  ? -3.42301  -13.71909 31.04939 1.000 16.00068 ? 17  CYS B HB2  1 
ATOM   2067 H  HB3  . CYS B 1 21  ? -1.88199  -13.90588 31.38966 1.000 16.00068 ? 17  CYS B HB3  1 
ATOM   2068 N  N    . HIS B 1 22  ? -3.95922  -17.04240 31.53300 1.000 13.67348 ? 18  HIS B N    1 
ATOM   2069 C  CA   . HIS B 1 22  ? -4.30333  -17.78457 32.73927 1.000 13.41738 ? 18  HIS B CA   1 
ATOM   2070 C  C    . HIS B 1 22  ? -4.94729  -19.12133 32.39954 1.000 14.99728 ? 18  HIS B C    1 
ATOM   2071 O  O    . HIS B 1 22  ? -5.79439  -19.21634 31.50549 1.000 14.06839 ? 18  HIS B O    1 
ATOM   2072 C  CB   . HIS B 1 22  ? -5.33132  -17.02746 33.58583 1.000 12.75489 ? 18  HIS B CB   1 
ATOM   2073 C  CG   . HIS B 1 22  ? -4.83654  -15.75260 34.19677 1.000 10.86401 ? 18  HIS B CG   1 
ATOM   2074 N  ND1  . HIS B 1 22  ? -4.04870  -15.73462 35.32321 1.000 13.06693 ? 18  HIS B ND1  1 
ATOM   2075 C  CD2  . HIS B 1 22  ? -5.10946  -14.45275 33.91186 1.000 12.87769 ? 18  HIS B CD2  1 
ATOM   2076 C  CE1  . HIS B 1 22  ? -3.82661  -14.48247 35.68608 1.000 13.52736 ? 18  HIS B CE1  1 
ATOM   2077 N  NE2  . HIS B 1 22  ? -4.44338  -13.68453 34.84028 1.000 12.94277 ? 18  HIS B NE2  1 
ATOM   2078 H  H    . HIS B 1 22  ? -4.54842  -17.10539 30.90972 1.000 16.43174 ? 18  HIS B H    1 
ATOM   2079 H  HA   . HIS B 1 22  ? -3.47781  -17.93281 33.22654 1.000 16.12442 ? 18  HIS B HA   1 
ATOM   2080 H  HB2  . HIS B 1 22  ? -6.08835  -16.80439 33.02188 1.000 15.32944 ? 18  HIS B HB2  1 
ATOM   2081 H  HB3  . HIS B 1 22  ? -5.61661  -17.60520 34.31090 1.000 15.32944 ? 18  HIS B HB3  1 
ATOM   2082 H  HD1  . HIS B 1 22  ? -3.74693  -16.43014 35.72915 1.000 15.70388 ? 18  HIS B HD1  1 
ATOM   2083 H  HD2  . HIS B 1 22  ? -5.64580  -14.14023 33.21934 1.000 15.47679 ? 18  HIS B HD2  1 
ATOM   2084 H  HE1  . HIS B 1 22  ? -3.31938  -14.21104 36.41680 1.000 16.25640 ? 18  HIS B HE1  1 
ATOM   2085 N  N    . THR B 1 23  ? -4.59158  -20.13505 33.17108 1.000 12.74427 ? 19  THR B N    1 
ATOM   2086 C  CA   . THR B 1 23  ? -5.34074  -21.37540 33.25624 1.000 14.28018 ? 19  THR B CA   1 
ATOM   2087 C  C    . THR B 1 23  ? -6.07055  -21.43161 34.59234 1.000 13.58633 ? 19  THR B C    1 
ATOM   2088 O  O    . THR B 1 23  ? -5.75997  -20.68135 35.52761 1.000 14.89381 ? 19  THR B O    1 
ATOM   2089 C  CB   . THR B 1 23  ? -4.38794  -22.56498 33.11155 1.000 14.12194 ? 19  THR B CB   1 
ATOM   2090 O  OG1  . THR B 1 23  ? -3.45981  -22.57790 34.20991 1.000 16.76563 ? 19  THR B OG1  1 
ATOM   2091 C  CG2  . THR B 1 23  ? -3.61903  -22.49005 31.78205 1.000 11.89548 ? 19  THR B CG2  1 
ATOM   2092 H  H    . THR B 1 23  ? -3.89310  -20.12547 33.67272 1.000 15.31669 ? 19  THR B H    1 
ATOM   2093 H  HA   . THR B 1 23  ? -6.00403  -21.42968 32.55054 1.000 17.15979 ? 19  THR B HA   1 
ATOM   2094 H  HB   . THR B 1 23  ? -4.89894  -23.38946 33.11533 1.000 16.96990 ? 19  THR B HB   1 
ATOM   2095 H  HG1  . THR B 1 23  ? -2.80120  -22.08663 34.03531 1.000 20.14232 ? 19  THR B HG1  1 
ATOM   2096 H  HG21 . THR B 1 23  ? -3.17406  -23.33423 31.60811 1.000 14.15674 ? 19  THR B HG21 1 
ATOM   2097 H  HG22 . THR B 1 23  ? -4.23212  -22.30157 31.05439 1.000 14.15674 ? 19  THR B HG22 1 
ATOM   2098 H  HG23 . THR B 1 23  ? -2.95321  -21.78584 31.82310 1.000 14.15674 ? 19  THR B HG23 1 
ATOM   2099 N  N    . VAL B 1 24  ? -7.06644  -22.31778 34.66685 1.000 14.72014 ? 20  VAL B N    1 
ATOM   2100 C  CA   . VAL B 1 24  ? -7.87632  -22.46931 35.87102 1.000 14.11151 ? 20  VAL B CA   1 
ATOM   2101 C  C    . VAL B 1 24  ? -7.81904  -23.86216 36.48637 1.000 18.50856 ? 20  VAL B C    1 
ATOM   2102 O  O    . VAL B 1 24  ? -8.10825  -23.99564 37.68595 1.000 20.43098 ? 20  VAL B O    1 
ATOM   2103 C  CB   . VAL B 1 24  ? -9.34444  -22.05239 35.64396 1.000 16.92038 ? 20  VAL B CB   1 
ATOM   2104 C  CG1  . VAL B 1 24  ? -9.41016  -20.58474 35.32832 1.000 19.02653 ? 20  VAL B CG1  1 
ATOM   2105 C  CG2  . VAL B 1 24  ? -10.01323 -22.89463 34.52775 1.000 19.72722 ? 20  VAL B CG2  1 
ATOM   2106 H  H    . VAL B 1 24  ? -7.29252  -22.84589 34.02686 1.000 17.68773 ? 20  VAL B H    1 
ATOM   2107 H  HA   . VAL B 1 24  ? -7.50775  -21.86076 36.53035 1.000 16.95738 ? 20  VAL B HA   1 
ATOM   2108 H  HB   . VAL B 1 24  ? -9.84632  -22.22006 36.45691 1.000 20.32803 ? 20  VAL B HB   1 
ATOM   2109 H  HG11 . VAL B 1 24  ? -10.29716 -20.37210 34.99829 1.000 22.85541 ? 20  VAL B HG11 1 
ATOM   2110 H  HG12 . VAL B 1 24  ? -9.22785  -20.07953 36.13605 1.000 22.85541 ? 20  VAL B HG12 1 
ATOM   2111 H  HG13 . VAL B 1 24  ? -8.74690  -20.37724 34.65161 1.000 22.85541 ? 20  VAL B HG13 1 
ATOM   2112 H  HG21 . VAL B 1 24  ? -10.95114 -22.65412 34.46970 1.000 23.69623 ? 20  VAL B HG21 1 
ATOM   2113 H  HG22 . VAL B 1 24  ? -9.57135  -22.70905 33.68442 1.000 23.69623 ? 20  VAL B HG22 1 
ATOM   2114 H  HG23 . VAL B 1 24  ? -9.92597  -23.83552 34.74688 1.000 23.69623 ? 20  VAL B HG23 1 
ATOM   2115 N  N    . GLU B 1 25  ? -7.46976  -24.90049 35.73117 1.000 17.85574 ? 21  GLU B N    1 
ATOM   2116 C  CA   . GLU B 1 25  ? -7.50831  -26.26922 36.23323 1.000 16.25956 ? 21  GLU B CA   1 
ATOM   2117 C  C    . GLU B 1 25  ? -6.40504  -26.53029 37.26043 1.000 16.72334 ? 21  GLU B C    1 
ATOM   2118 O  O    . GLU B 1 25  ? -5.32652  -25.91980 37.23307 1.000 19.80456 ? 21  GLU B O    1 
ATOM   2119 C  CB   . GLU B 1 25  ? -7.33000  -27.26324 35.07710 1.000 26.27579 ? 21  GLU B CB   1 
ATOM   2120 C  CG   . GLU B 1 25  ? -5.86354  -27.56988 34.73595 1.000 28.65391 ? 21  GLU B CG   1 
ATOM   2121 C  CD   . GLU B 1 25  ? -5.68817  -28.52715 33.56306 1.000 53.08034 ? 21  GLU B CD   1 
ATOM   2122 O  OE1  . GLU B 1 25  ? -6.59407  -29.35432 33.31581 1.000 59.03028 ? 21  GLU B OE1  1 
ATOM   2123 O  OE2  . GLU B 1 25  ? -4.63185  -28.45089 32.89467 1.000 47.35140 ? 21  GLU B OE2  1 
ATOM   2124 H  H    . GLU B 1 25  ? -7.20376  -24.83953 34.91561 1.000 21.45045 ? 21  GLU B H    1 
ATOM   2125 H  HA   . GLU B 1 25  ? -8.36774  -26.40955 36.66053 1.000 19.53504 ? 21  GLU B HA   1 
ATOM   2126 H  HB2  . GLU B 1 25  ? -7.75799  -28.09978 35.31778 1.000 31.55452 ? 21  GLU B HB2  1 
ATOM   2127 H  HB3  . GLU B 1 25  ? -7.74662  -26.89394 34.28277 1.000 31.55452 ? 21  GLU B HB3  1 
ATOM   2128 H  HG2  . GLU B 1 25  ? -5.41654  -26.73966 34.50830 1.000 34.40826 ? 21  GLU B HG2  1 
ATOM   2129 H  HG3  . GLU B 1 25  ? -5.44111  -27.97247 35.51079 1.000 34.40826 ? 21  GLU B HG3  1 
ATOM   2130 N  N    . ALA B 1 26  ? -6.66197  -27.50890 38.13389 1.000 20.29116 ? 22  ALA B N    1 
ATOM   2131 C  CA   . ALA B 1 26  ? -5.64300  -28.00579 39.05317 1.000 24.22193 ? 22  ALA B CA   1 
ATOM   2132 C  C    . ALA B 1 26  ? -4.43990  -28.53363 38.27885 1.000 19.93526 ? 22  ALA B C    1 
ATOM   2133 O  O    . ALA B 1 26  ? -4.58382  -29.32438 37.34084 1.000 22.87731 ? 22  ALA B O    1 
ATOM   2134 C  CB   . ALA B 1 26  ? -6.23396  -29.13636 39.89583 1.000 24.12671 ? 22  ALA B CB   1 
ATOM   2135 H  H    . ALA B 1 26  ? -7.42231  -27.90280 38.21352 1.000 24.37296 ? 22  ALA B H    1 
ATOM   2136 H  HA   . ALA B 1 26  ? -5.35016  -27.28581 39.63350 1.000 29.08988 ? 22  ALA B HA   1 
ATOM   2137 H  HB1  . ALA B 1 26  ? -5.58142  -29.40999 40.55931 1.000 28.97561 ? 22  ALA B HB1  1 
ATOM   2138 H  HB2  . ALA B 1 26  ? -7.03762  -28.81627 40.33465 1.000 28.97561 ? 22  ALA B HB2  1 
ATOM   2139 H  HB3  . ALA B 1 26  ? -6.44904  -29.88340 39.31568 1.000 28.97561 ? 22  ALA B HB3  1 
ATOM   2140 N  N    . GLY B 1 27  ? -3.24962  -28.10725 38.67886 1.000 21.30121 ? 23  GLY B N    1 
ATOM   2141 C  CA   . GLY B 1 27  ? -2.05321  -28.46555 37.95202 1.000 27.01315 ? 23  GLY B CA   1 
ATOM   2142 C  C    . GLY B 1 27  ? -1.87455  -27.73884 36.64353 1.000 20.37351 ? 23  GLY B C    1 
ATOM   2143 O  O    . GLY B 1 27  ? -0.91962  -28.02764 35.91366 1.000 28.46928 ? 23  GLY B O    1 
ATOM   2144 H  H    . GLY B 1 27  ? -3.11433  -27.61039 39.36765 1.000 25.58502 ? 23  GLY B H    1 
ATOM   2145 H  HA2  . GLY B 1 27  ? -1.28155  -28.27242 38.50714 1.000 32.43934 ? 23  GLY B HA2  1 
ATOM   2146 H  HA3  . GLY B 1 27  ? -2.07623  -29.41670 37.76313 1.000 32.43934 ? 23  GLY B HA3  1 
ATOM   2147 N  N    . GLY B 1 28  ? -2.76810  -26.80801 36.31608 1.000 19.72703 ? 24  GLY B N    1 
ATOM   2148 C  CA   . GLY B 1 28  ? -2.62080  -26.05726 35.08609 1.000 21.27783 ? 24  GLY B CA   1 
ATOM   2149 C  C    . GLY B 1 28  ? -1.37266  -25.19547 35.10356 1.000 14.32805 ? 24  GLY B C    1 
ATOM   2150 O  O    . GLY B 1 28  ? -0.90574  -24.75547 36.15171 1.000 16.82250 ? 24  GLY B O    1 
ATOM   2151 H  H    . GLY B 1 28  ? -3.45818  -26.59648 36.78367 1.000 23.69600 ? 24  GLY B H    1 
ATOM   2152 H  HA2  . GLY B 1 28  ? -2.56210  -26.67062 34.33693 1.000 25.55696 ? 24  GLY B HA2  1 
ATOM   2153 H  HA3  . GLY B 1 28  ? -3.39182  -25.48163 34.96329 1.000 25.55696 ? 24  GLY B HA3  1 
ATOM   2154 N  N    . LYS B 1 29  ? -0.82747  -24.94200 33.92260 1.000 17.14241 ? 25  LYS B N    1 
ATOM   2155 C  CA   . LYS B 1 29  ? 0.44124   -24.23698 33.85034 1.000 19.75946 ? 25  LYS B CA   1 
ATOM   2156 C  C    . LYS B 1 29  ? 0.26261   -22.73463 34.04602 1.000 15.05597 ? 25  LYS B C    1 
ATOM   2157 O  O    . LYS B 1 29  ? -0.79267  -22.15969 33.76584 1.000 16.22406 ? 25  LYS B O    1 
ATOM   2158 C  CB   . LYS B 1 29  ? 1.12423   -24.49805 32.51271 1.000 21.47038 ? 25  LYS B CB   1 
ATOM   2159 C  CG   . LYS B 1 29  ? 0.38961   -23.97810 31.31766 1.000 23.39710 ? 25  LYS B CG   1 
ATOM   2160 C  CD   . LYS B 1 29  ? 1.10287   -24.43281 30.03510 1.000 40.97562 ? 25  LYS B CD   1 
ATOM   2161 C  CE   . LYS B 1 29  ? 0.48327   -23.83278 28.77998 1.000 56.80611 ? 25  LYS B CE   1 
ATOM   2162 N  NZ   . LYS B 1 29  ? 1.17706   -24.29604 27.53838 1.000 62.25988 ? 25  LYS B NZ   1 
ATOM   2163 H  H    . LYS B 1 29  ? -1.16567  -25.16343 33.16353 1.000 20.59446 ? 25  LYS B H    1 
ATOM   2164 H  HA   . LYS B 1 29  ? 1.01530   -24.56205 34.56145 1.000 23.73492 ? 25  LYS B HA   1 
ATOM   2165 H  HB2  . LYS B 1 29  ? 1.99666   -24.07426 32.52528 1.000 25.78802 ? 25  LYS B HB2  1 
ATOM   2166 H  HB3  . LYS B 1 29  ? 1.22254   -25.45643 32.39979 1.000 25.78802 ? 25  LYS B HB3  1 
ATOM   2167 H  HG2  . LYS B 1 29  ? -0.51590  -24.32583 31.31192 1.000 28.10009 ? 25  LYS B HG2  1 
ATOM   2168 H  HG3  . LYS B 1 29  ? 0.37251   -23.00849 31.33895 1.000 28.10009 ? 25  LYS B HG3  1 
ATOM   2169 H  HD2  . LYS B 1 29  ? 2.03188   -24.15646 30.07341 1.000 49.19431 ? 25  LYS B HD2  1 
ATOM   2170 H  HD3  . LYS B 1 29  ? 1.04664   -25.39870 29.96591 1.000 49.19431 ? 25  LYS B HD3  1 
ATOM   2171 H  HE2  . LYS B 1 29  ? -0.44775  -24.09926 28.72451 1.000 68.19089 ? 25  LYS B HE2  1 
ATOM   2172 H  HE3  . LYS B 1 29  ? 0.54970   -22.86596 28.82171 1.000 68.19089 ? 25  LYS B HE3  1 
ATOM   2173 H  HZ1  . LYS B 1 29  ? 0.81322   -23.90940 26.82408 1.000 74.73542 ? 25  LYS B HZ1  1 
ATOM   2174 H  HZ2  . LYS B 1 29  ? 2.04027   -24.08230 27.57426 1.000 74.73542 ? 25  LYS B HZ2  1 
ATOM   2175 H  HZ3  . LYS B 1 29  ? 1.10125   -25.17923 27.45882 1.000 74.73542 ? 25  LYS B HZ3  1 
ATOM   2176 N  N    . HIS B 1 30  ? 1.28698   -22.12238 34.61796 1.000 16.69176 ? 26  HIS B N    1 
ATOM   2177 C  CA   . HIS B 1 30  ? 1.46383   -20.68865 34.52759 1.000 15.69293 ? 26  HIS B CA   1 
ATOM   2178 C  C    . HIS B 1 30  ? 1.78285   -20.29026 33.09287 1.000 15.14476 ? 26  HIS B C    1 
ATOM   2179 O  O    . HIS B 1 30  ? 2.46999   -21.00915 32.35965 1.000 17.66540 ? 26  HIS B O    1 
ATOM   2180 C  CB   . HIS B 1 30  ? 2.61159   -20.24688 35.43320 1.000 17.05081 ? 26  HIS B CB   1 
ATOM   2181 C  CG   . HIS B 1 30  ? 2.43935   -20.62576 36.86701 1.000 16.23939 ? 26  HIS B CG   1 
ATOM   2182 N  ND1  . HIS B 1 30  ? 1.25317   -20.47671 37.55536 1.000 15.25148 ? 26  HIS B ND1  1 
ATOM   2183 C  CD2  . HIS B 1 30  ? 3.31820   -21.16782 37.74087 1.000 18.69130 ? 26  HIS B CD2  1 
ATOM   2184 C  CE1  . HIS B 1 30  ? 1.41664   -20.89291 38.80017 1.000 17.83166 ? 26  HIS B CE1  1 
ATOM   2185 N  NE2  . HIS B 1 30  ? 2.66192   -21.32103 38.93625 1.000 17.33198 ? 26  HIS B NE2  1 
ATOM   2186 H  H    . HIS B 1 30  ? 1.90108   -22.52032 35.06977 1.000 20.05368 ? 26  HIS B H    1 
ATOM   2187 H  HA   . HIS B 1 30  ? 0.65098   -20.24004 34.80852 1.000 18.85509 ? 26  HIS B HA   1 
ATOM   2188 H  HB2  . HIS B 1 30  ? 3.43184   -20.65684 35.11694 1.000 20.48454 ? 26  HIS B HB2  1 
ATOM   2189 H  HB3  . HIS B 1 30  ? 2.68591   -19.28065 35.39100 1.000 20.48454 ? 26  HIS B HB3  1 
ATOM   2190 H  HD2  . HIS B 1 30  ? 4.20271   -21.39450 37.56435 1.000 22.45313 ? 26  HIS B HD2  1 
ATOM   2191 H  HE1  . HIS B 1 30  ? 0.76754   -20.88597 39.46615 1.000 21.42156 ? 26  HIS B HE1  1 
ATOM   2192 H  HE2  . HIS B 1 30  ? 3.00399   -21.64285 39.65668 1.000 20.82195 ? 26  HIS B HE2  1 
ATOM   2193 N  N    . LYS B 1 31  ? 1.28868   -19.12924 32.69968 1.000 15.92432 ? 27  LYS B N    1 
ATOM   2194 C  CA   . LYS B 1 31  ? 1.56792   -18.56762 31.38914 1.000 13.45172 ? 27  LYS B CA   1 
ATOM   2195 C  C    . LYS B 1 31  ? 2.18297   -17.20238 31.66623 1.000 15.08733 ? 27  LYS B C    1 
ATOM   2196 O  O    . LYS B 1 31  ? 3.00703   -17.08667 32.57845 1.000 17.96376 ? 27  LYS B O    1 
ATOM   2197 C  CB   . LYS B 1 31  ? 0.27143   -18.49764 30.57269 1.000 15.19705 ? 27  LYS B CB   1 
ATOM   2198 C  CG   . LYS B 1 31  ? -0.38177  -19.88426 30.35859 1.000 19.61128 ? 27  LYS B CG   1 
ATOM   2199 C  CD   . LYS B 1 31  ? -1.78783  -19.83921 29.71434 1.000 21.45663 ? 27  LYS B CD   1 
ATOM   2200 C  CE   . LYS B 1 31  ? -1.72306  -19.57940 28.23048 1.000 29.03807 ? 27  LYS B CE   1 
ATOM   2201 N  NZ   . LYS B 1 31  ? -3.05746  -19.76173 27.59275 1.000 23.07901 ? 27  LYS B NZ   1 
ATOM   2202 H  H    . LYS B 1 31  ? 0.77724   -18.63501 33.18317 1.000 19.13276 ? 27  LYS B H    1 
ATOM   2203 H  HA   . LYS B 1 31  ? 2.17492   -19.09615 30.84775 1.000 16.16563 ? 27  LYS B HA   1 
ATOM   2204 H  HB2  . LYS B 1 31  ? -0.36555  -17.93534 31.04064 1.000 18.26003 ? 27  LYS B HB2  1 
ATOM   2205 H  HB3  . LYS B 1 31  ? 0.46827   -18.12123 29.70064 1.000 18.26003 ? 27  LYS B HB3  1 
ATOM   2206 H  HG2  . LYS B 1 31  ? 0.18951   -20.40914 29.77631 1.000 23.55710 ? 27  LYS B HG2  1 
ATOM   2207 H  HG3  . LYS B 1 31  ? -0.46914  -20.32176 31.21991 1.000 23.55710 ? 27  LYS B HG3  1 
ATOM   2208 H  HD2  . LYS B 1 31  ? -2.22993  -20.69137 29.85316 1.000 25.77153 ? 27  LYS B HD2  1 
ATOM   2209 H  HD3  . LYS B 1 31  ? -2.30382  -19.12718 30.12381 1.000 25.77153 ? 27  LYS B HD3  1 
ATOM   2210 H  HE2  . LYS B 1 31  ? -1.43153  -18.66734 28.07543 1.000 34.86925 ? 27  LYS B HE2  1 
ATOM   2211 H  HE3  . LYS B 1 31  ? -1.10059  -20.20075 27.82139 1.000 34.86925 ? 27  LYS B HE3  1 
ATOM   2212 H  HZ1  . LYS B 1 31  ? -2.98104  -19.71218 26.70743 1.000 27.71837 ? 27  LYS B HZ1  1 
ATOM   2213 H  HZ2  . LYS B 1 31  ? -3.39236  -20.55727 27.80968 1.000 27.71837 ? 27  LYS B HZ2  1 
ATOM   2214 H  HZ3  . LYS B 1 31  ? -3.61671  -19.12748 27.87034 1.000 27.71837 ? 27  LYS B HZ3  1 
ATOM   2215 N  N    . VAL B 1 32  ? 1.76347   -16.14772 30.96278 1.000 13.81257 ? 28  VAL B N    1 
ATOM   2216 C  CA   . VAL B 1 32  ? 2.17979   -14.81377 31.38481 1.000 15.19288 ? 28  VAL B CA   1 
ATOM   2217 C  C    . VAL B 1 32  ? 1.65865   -14.52335 32.78075 1.000 13.21720 ? 28  VAL B C    1 
ATOM   2218 O  O    . VAL B 1 32  ? 2.36795   -13.92777 33.59820 1.000 15.67896 ? 28  VAL B O    1 
ATOM   2219 C  CB   . VAL B 1 32  ? 1.77227   -13.75993 30.33653 1.000 16.42411 ? 28  VAL B CB   1 
ATOM   2220 C  CG1  . VAL B 1 32  ? 1.79481   -12.34993 30.91392 1.000 19.69541 ? 28  VAL B CG1  1 
ATOM   2221 C  CG2  . VAL B 1 32  ? 2.72702   -13.84577 29.16504 1.000 17.82904 ? 28  VAL B CG2  1 
ATOM   2222 H  H    . VAL B 1 32  ? 1.25883   -16.17626 30.26699 1.000 16.59865 ? 28  VAL B H    1 
ATOM   2223 H  HA   . VAL B 1 32  ? 3.14786   -14.77601 31.43293 1.000 18.25502 ? 28  VAL B HA   1 
ATOM   2224 H  HB   . VAL B 1 32  ? 0.86381   -13.93948 30.04780 1.000 19.73249 ? 28  VAL B HB   1 
ATOM   2225 H  HG11 . VAL B 1 32  ? 1.74390   -11.71004 30.18670 1.000 23.65805 ? 28  VAL B HG11 1 
ATOM   2226 H  HG12 . VAL B 1 32  ? 1.03454   -12.23895 31.50601 1.000 23.65805 ? 28  VAL B HG12 1 
ATOM   2227 H  HG13 . VAL B 1 32  ? 2.62000   -12.22417 31.40802 1.000 23.65805 ? 28  VAL B HG13 1 
ATOM   2228 H  HG21 . VAL B 1 32  ? 2.56031   -13.10085 28.56654 1.000 21.41841 ? 28  VAL B HG21 1 
ATOM   2229 H  HG22 . VAL B 1 32  ? 3.63782   -13.80644 29.49639 1.000 21.41841 ? 28  VAL B HG22 1 
ATOM   2230 H  HG23 . VAL B 1 32  ? 2.58049   -14.68375 28.69897 1.000 21.41841 ? 28  VAL B HG23 1 
ATOM   2231 N  N    . GLY B 1 33  ? 0.47473   -15.04555 33.11994 1.000 13.00354 ? 29  GLY B N    1 
ATOM   2232 C  CA   . GLY B 1 33  ? -0.08774  -14.89807 34.44361 1.000 13.50197 ? 29  GLY B CA   1 
ATOM   2233 C  C    . GLY B 1 33  ? -0.16778  -16.23506 35.15816 1.000 13.96175 ? 29  GLY B C    1 
ATOM   2234 O  O    . GLY B 1 33  ? -0.03937  -17.29914 34.53979 1.000 13.53867 ? 29  GLY B O    1 
ATOM   2235 H  H    . GLY B 1 33  ? -0.02314  -15.49644 32.58289 1.000 15.62782 ? 29  GLY B H    1 
ATOM   2236 H  HA2  . GLY B 1 33  ? 0.46583   -14.29831 34.96777 1.000 16.22593 ? 29  GLY B HA2  1 
ATOM   2237 H  HA3  . GLY B 1 33  ? -0.98147  -14.52676 34.37821 1.000 16.22593 ? 29  GLY B HA3  1 
ATOM   2238 N  N    . PRO B 1 34  ? -0.44428  -16.20333 36.45921 1.000 12.52921 ? 30  PRO B N    1 
ATOM   2239 C  CA   . PRO B 1 34  ? -0.47452  -17.44091 37.24065 1.000 12.45009 ? 30  PRO B CA   1 
ATOM   2240 C  C    . PRO B 1 34  ? -1.70040  -18.30127 36.96421 1.000 12.47990 ? 30  PRO B C    1 
ATOM   2241 O  O    . PRO B 1 34  ? -2.79384  -17.80681 36.67310 1.000 12.50617 ? 30  PRO B O    1 
ATOM   2242 C  CB   . PRO B 1 34  ? -0.54116  -16.93379 38.68208 1.000 15.13098 ? 30  PRO B CB   1 
ATOM   2243 C  CG   . PRO B 1 34  ? -1.20320  -15.56621 38.55476 1.000 15.13202 ? 30  PRO B CG   1 
ATOM   2244 C  CD   . PRO B 1 34  ? -0.66178  -15.00043 37.30101 1.000 16.18885 ? 30  PRO B CD   1 
ATOM   2245 H  HA   . PRO B 1 34  ? 0.33243   -17.94975 37.06513 1.000 14.96368 ? 30  PRO B HA   1 
ATOM   2246 H  HB2  . PRO B 1 34  ? -1.07611  -17.53437 39.22433 1.000 18.18074 ? 30  PRO B HB2  1 
ATOM   2247 H  HB3  . PRO B 1 34  ? 0.35210   -16.85896 39.05274 1.000 18.18074 ? 30  PRO B HB3  1 
ATOM   2248 H  HG2  . PRO B 1 34  ? -2.16646  -15.66776 38.50264 1.000 18.18199 ? 30  PRO B HG2  1 
ATOM   2249 H  HG3  . PRO B 1 34  ? -0.96869  -15.01224 39.31570 1.000 18.18199 ? 30  PRO B HG3  1 
ATOM   2250 H  HD2  . PRO B 1 34  ? -1.30112  -14.39933 36.88771 1.000 19.45019 ? 30  PRO B HD2  1 
ATOM   2251 H  HD3  . PRO B 1 34  ? 0.17389   -14.53541 37.46326 1.000 19.45019 ? 30  PRO B HD3  1 
ATOM   2252 N  N    . ASN B 1 35  ? -1.51189  -19.60953 37.12456 1.000 14.17210 ? 31  ASN B N    1 
ATOM   2253 C  CA   . ASN B 1 35  ? -2.64816  -20.50676 37.21911 1.000 15.55603 ? 31  ASN B CA   1 
ATOM   2254 C  C    . ASN B 1 35  ? -3.52812  -20.08170 38.38567 1.000 13.74828 ? 31  ASN B C    1 
ATOM   2255 O  O    . ASN B 1 35  ? -3.04124  -19.69550 39.45186 1.000 15.67357 ? 31  ASN B O    1 
ATOM   2256 C  CB   . ASN B 1 35  ? -2.17192  -21.94883 37.41809 1.000 14.49242 ? 31  ASN B CB   1 
ATOM   2257 C  CG   . ASN B 1 35  ? -3.28834  -22.87618 37.80987 1.000 16.45658 ? 31  ASN B CG   1 
ATOM   2258 O  OD1  . ASN B 1 35  ? -3.50679  -23.14809 38.99470 1.000 16.30857 ? 31  ASN B OD1  1 
ATOM   2259 N  ND2  . ASN B 1 35  ? -4.01258  -23.37204 36.81856 1.000 15.05964 ? 31  ASN B ND2  1 
ATOM   2260 H  H    . ASN B 1 35  ? -0.74513  -19.99496 37.18048 1.000 17.03009 ? 31  ASN B H    1 
ATOM   2261 H  HA   . ASN B 1 35  ? -3.16621  -20.47615 36.39961 1.000 18.69080 ? 31  ASN B HA   1 
ATOM   2262 H  HB2  . ASN B 1 35  ? -1.78868  -22.27330 36.58818 1.000 17.41446 ? 31  ASN B HB2  1 
ATOM   2263 H  HB3  . ASN B 1 35  ? -1.50433  -21.96781 38.12156 1.000 17.41446 ? 31  ASN B HB3  1 
ATOM   2264 H  HD21 . ASN B 1 35  ? -4.66364  -23.90782 36.98788 1.000 18.09514 ? 31  ASN B HD21 1 
ATOM   2265 H  HD22 . ASN B 1 35  ? -3.83194  -23.15834 36.00536 1.000 18.09514 ? 31  ASN B HD22 1 
ATOM   2266 N  N    . LEU B 1 36  ? -4.83760  -20.16234 38.17628 1.000 15.36814 ? 32  LEU B N    1 
ATOM   2267 C  CA   . LEU B 1 36  ? -5.80732  -19.64298 39.13054 1.000 11.88437 ? 32  LEU B CA   1 
ATOM   2268 C  C    . LEU B 1 36  ? -6.50126  -20.73573 39.95128 1.000 14.20579 ? 32  LEU B C    1 
ATOM   2269 O  O    . LEU B 1 36  ? -7.43623  -20.41754 40.69310 1.000 14.50850 ? 32  LEU B O    1 
ATOM   2270 C  CB   . LEU B 1 36  ? -6.83990  -18.79939 38.38891 1.000 12.53232 ? 32  LEU B CB   1 
ATOM   2271 C  CG   . LEU B 1 36  ? -6.28418  -17.57940 37.63696 1.000 11.29287 ? 32  LEU B CG   1 
ATOM   2272 C  CD1  . LEU B 1 36  ? -7.36008  -16.90114 36.82052 1.000 16.35720 ? 32  LEU B CD1  1 
ATOM   2273 C  CD2  . LEU B 1 36  ? -5.63430  -16.57641 38.60681 1.000 15.29496 ? 32  LEU B CD2  1 
ATOM   2274 H  H    . LEU B 1 36  ? -5.19121  -20.51900 37.47818 1.000 18.46534 ? 32  LEU B H    1 
ATOM   2275 H  HA   . LEU B 1 36  ? -5.34307  -19.07474 39.76495 1.000 14.28482 ? 32  LEU B HA   1 
ATOM   2276 H  HB2  . LEU B 1 36  ? -7.28187  -19.36450 37.73606 1.000 15.06235 ? 32  LEU B HB2  1 
ATOM   2277 H  HB3  . LEU B 1 36  ? -7.48507  -18.47148 39.03477 1.000 15.06235 ? 32  LEU B HB3  1 
ATOM   2278 H  HG   . LEU B 1 36  ? -5.59889  -17.89192 37.02572 1.000 13.57501 ? 32  LEU B HG   1 
ATOM   2279 H  HD11 . LEU B 1 36  ? -6.97091  -16.14849 36.34834 1.000 19.65221 ? 32  LEU B HD11 1 
ATOM   2280 H  HD12 . LEU B 1 36  ? -7.72328  -17.53805 36.18544 1.000 19.65221 ? 32  LEU B HD12 1 
ATOM   2281 H  HD13 . LEU B 1 36  ? -8.06049  -16.59171 37.41599 1.000 19.65221 ? 32  LEU B HD13 1 
ATOM   2282 H  HD21 . LEU B 1 36  ? -5.38340  -15.77884 38.11504 1.000 18.37752 ? 32  LEU B HD21 1 
ATOM   2283 H  HD22 . LEU B 1 36  ? -6.27251  -16.34976 39.30123 1.000 18.37752 ? 32  LEU B HD22 1 
ATOM   2284 H  HD23 . LEU B 1 36  ? -4.84697  -16.98324 39.00114 1.000 18.37752 ? 32  LEU B HD23 1 
ATOM   2285 N  N    . HIS B 1 37  ? -6.05791  -21.99772 39.87481 1.000 14.93557 ? 33  HIS B N    1 
ATOM   2286 C  CA   . HIS B 1 37  ? -6.71063  -23.01366 40.69850 1.000 16.35822 ? 33  HIS B CA   1 
ATOM   2287 C  C    . HIS B 1 37  ? -6.55039  -22.66776 42.17231 1.000 16.94305 ? 33  HIS B C    1 
ATOM   2288 O  O    . HIS B 1 37  ? -5.45257  -22.31452 42.61809 1.000 15.83909 ? 33  HIS B O    1 
ATOM   2289 C  CB   . HIS B 1 37  ? -6.14848  -24.40649 40.44228 1.000 16.25447 ? 33  HIS B CB   1 
ATOM   2290 C  CG   . HIS B 1 37  ? -6.83321  -25.46203 41.25431 1.000 22.42056 ? 33  HIS B CG   1 
ATOM   2291 N  ND1  . HIS B 1 37  ? -8.10136  -25.90905 40.95753 1.000 30.01555 ? 33  HIS B ND1  1 
ATOM   2292 C  CD2  . HIS B 1 37  ? -6.44213  -26.13687 42.36095 1.000 32.17778 ? 33  HIS B CD2  1 
ATOM   2293 C  CE1  . HIS B 1 37  ? -8.46112  -26.82285 41.83697 1.000 23.54828 ? 33  HIS B CE1  1 
ATOM   2294 N  NE2  . HIS B 1 37  ? -7.47180  -26.98255 42.70112 1.000 38.12916 ? 33  HIS B NE2  1 
ATOM   2295 N  N    . GLY B 1 38  ? -7.65045  -22.78330 42.91951 1.000 15.34003 ? 34  GLY B N    1 
ATOM   2296 C  CA   . GLY B 1 38  ? -7.64517  -22.47677 44.33679 1.000 15.94644 ? 34  GLY B CA   1 
ATOM   2297 C  C    . GLY B 1 38  ? -7.71979  -21.00614 44.65666 1.000 17.25289 ? 34  GLY B C    1 
ATOM   2298 O  O    . GLY B 1 38  ? -7.43278  -20.61222 45.79208 1.000 21.00230 ? 34  GLY B O    1 
ATOM   2299 H  H    . GLY B 1 38  ? -8.41554  -23.03965 42.62200 1.000 18.29020 ? 34  GLY B H    1 
ATOM   2300 H  HA2  . GLY B 1 38  ? -8.40622  -22.91088 44.75303 1.000 19.01789 ? 34  GLY B HA2  1 
ATOM   2301 H  HA3  . GLY B 1 38  ? -6.82932  -22.82559 44.72872 1.000 19.01789 ? 34  GLY B HA3  1 
ATOM   2302 N  N    . LEU B 1 39  ? -8.13793  -20.17864 43.69669 1.000 15.26435 ? 35  LEU B N    1 
ATOM   2303 C  CA   . LEU B 1 39  ? -8.08636  -18.73456 43.88277 1.000 20.43371 ? 35  LEU B CA   1 
ATOM   2304 C  C    . LEU B 1 39  ? -8.98430  -18.26059 45.02082 1.000 17.84264 ? 35  LEU B C    1 
ATOM   2305 O  O    . LEU B 1 39  ? -8.57631  -17.40559 45.81556 1.000 17.53033 ? 35  LEU B O    1 
ATOM   2306 C  CB   . LEU B 1 39  ? -8.49680  -18.05591 42.59314 1.000 14.72408 ? 35  LEU B CB   1 
ATOM   2307 C  CG   . LEU B 1 39  ? -8.43745  -16.52700 42.57367 1.000 20.08373 ? 35  LEU B CG   1 
ATOM   2308 C  CD1  . LEU B 1 39  ? -7.00224  -16.04845 42.67576 1.000 27.04833 ? 35  LEU B CD1  1 
ATOM   2309 C  CD2  . LEU B 1 39  ? -9.11628  -16.01718 41.33541 1.000 20.02986 ? 35  LEU B CD2  1 
ATOM   2310 H  H    . LEU B 1 39  ? -8.45286  -20.42584 42.93556 1.000 18.34079 ? 35  LEU B H    1 
ATOM   2311 H  HA   . LEU B 1 39  ? -7.17587  -18.48834 44.10923 1.000 24.54401 ? 35  LEU B HA   1 
ATOM   2312 H  HB2  . LEU B 1 39  ? -7.91070  -18.37236 41.88798 1.000 17.69246 ? 35  LEU B HB2  1 
ATOM   2313 H  HB3  . LEU B 1 39  ? -9.41357  -18.30749 42.40042 1.000 17.69246 ? 35  LEU B HB3  1 
ATOM   2314 H  HG   . LEU B 1 39  ? -8.90624  -16.16223 43.34054 1.000 24.12404 ? 35  LEU B HG   1 
ATOM   2315 H  HD11 . LEU B 1 39  ? -6.97362  -15.09549 42.49700 1.000 32.48156 ? 35  LEU B HD11 1 
ATOM   2316 H  HD12 . LEU B 1 39  ? -6.67261  -16.22724 43.57034 1.000 32.48156 ? 35  LEU B HD12 1 
ATOM   2317 H  HD13 . LEU B 1 39  ? -6.46377  -16.52362 42.02371 1.000 32.48156 ? 35  LEU B HD13 1 
ATOM   2318 H  HD21 . LEU B 1 39  ? -9.10759  -15.04729 41.34707 1.000 24.05940 ? 35  LEU B HD21 1 
ATOM   2319 H  HD22 . LEU B 1 39  ? -8.63861  -16.34291 40.55654 1.000 24.05940 ? 35  LEU B HD22 1 
ATOM   2320 H  HD23 . LEU B 1 39  ? -10.03101 -16.33963 41.32122 1.000 24.05940 ? 35  LEU B HD23 1 
ATOM   2321 N  N    . PHE B 1 40  ? -10.20660 -18.78390 45.11973 1.000 16.69405 ? 36  PHE B N    1 
ATOM   2322 C  CA   . PHE B 1 40  ? -11.16344 -18.22996 46.07657 1.000 15.23265 ? 36  PHE B CA   1 
ATOM   2323 C  C    . PHE B 1 40  ? -10.78572 -18.60404 47.50288 1.000 15.94802 ? 36  PHE B C    1 
ATOM   2324 O  O    . PHE B 1 40  ? -10.52480 -19.77254 47.81105 1.000 19.71767 ? 36  PHE B O    1 
ATOM   2325 C  CB   . PHE B 1 40  ? -12.58806 -18.70392 45.77395 1.000 14.65200 ? 36  PHE B CB   1 
ATOM   2326 C  CG   . PHE B 1 40  ? -13.22355 -17.99951 44.60613 1.000 15.74087 ? 36  PHE B CG   1 
ATOM   2327 C  CD1  . PHE B 1 40  ? -12.67790 -18.12002 43.33411 1.000 15.54906 ? 36  PHE B CD1  1 
ATOM   2328 C  CD2  . PHE B 1 40  ? -14.38332 -17.24491 44.78069 1.000 19.27451 ? 36  PHE B CD2  1 
ATOM   2329 C  CE1  . PHE B 1 40  ? -13.26495 -17.48375 42.25162 1.000 21.65567 ? 36  PHE B CE1  1 
ATOM   2330 C  CE2  . PHE B 1 40  ? -14.97404 -16.61010 43.69545 1.000 21.33127 ? 36  PHE B CE2  1 
ATOM   2331 C  CZ   . PHE B 1 40  ? -14.41869 -16.73384 42.43492 1.000 22.11605 ? 36  PHE B CZ   1 
ATOM   2332 H  H    . PHE B 1 40  ? -10.50101 -19.44506 44.65519 1.000 20.05643 ? 36  PHE B H    1 
ATOM   2333 H  HA   . PHE B 1 40  ? -11.14397 -17.26348 45.99633 1.000 18.30275 ? 36  PHE B HA   1 
ATOM   2334 H  HB2  . PHE B 1 40  ? -12.56523 -19.65227 45.57145 1.000 17.46457 ? 36  PHE B HB2  1 
ATOM   2335 H  HB3  . PHE B 1 40  ? -13.14246 -18.54445 46.55377 1.000 17.46457 ? 36  PHE B HB3  1 
ATOM   2336 H  HD1  . PHE B 1 40  ? -11.91195 -18.63215 43.20782 1.000 18.68244 ? 36  PHE B HD1  1 
ATOM   2337 H  HD2  . PHE B 1 40  ? -14.76242 -17.16646 45.62628 1.000 23.15298 ? 36  PHE B HD2  1 
ATOM   2338 H  HE1  . PHE B 1 40  ? -12.88709 -17.55900 41.40519 1.000 26.01036 ? 36  PHE B HE1  1 
ATOM   2339 H  HE2  . PHE B 1 40  ? -15.74328 -16.10169 43.81660 1.000 25.62109 ? 36  PHE B HE2  1 
ATOM   2340 H  HZ   . PHE B 1 40  ? -14.81914 -16.31364 41.70831 1.000 26.56283 ? 36  PHE B HZ   1 
ATOM   2341 N  N    A GLY B 1 41  ? -10.78138 -17.60535 48.38327 0.039 16.02506 ? 37  GLY B N    1 
ATOM   2342 N  N    B GLY B 1 41  ? -10.75767 -17.60763 48.37764 0.961 16.02788 ? 37  GLY B N    1 
ATOM   2343 C  CA   A GLY B 1 41  ? -10.48312 -17.81297 49.78236 0.039 16.81961 ? 37  GLY B CA   1 
ATOM   2344 C  CA   B GLY B 1 41  ? -10.46902 -17.83562 49.77647 0.961 16.82532 ? 37  GLY B CA   1 
ATOM   2345 C  C    A GLY B 1 41  ? -9.01779  -17.73079 50.14231 0.039 18.63949 ? 37  GLY B C    1 
ATOM   2346 C  C    B GLY B 1 41  ? -9.01643  -17.68531 50.14788 0.961 20.24175 ? 37  GLY B C    1 
ATOM   2347 O  O    A GLY B 1 41  ? -8.67238  -17.95327 51.30999 0.039 20.41365 ? 37  GLY B O    1 
ATOM   2348 O  O    B GLY B 1 41  ? -8.68089  -17.79229 51.33066 0.961 22.98051 ? 37  GLY B O    1 
ATOM   2349 H  H    A GLY B 1 41  ? -10.95215 -16.78659 48.18307 0.039 19.11224 ? 37  GLY B H    1 
ATOM   2350 H  H    B GLY B 1 41  ? -10.90466 -16.78403 48.17846 0.961 19.11563 ? 37  GLY B H    1 
ATOM   2351 H  HA2  A GLY B 1 41  ? -10.95287 -17.14219 50.30226 0.039 20.08520 ? 37  GLY B HA2  1 
ATOM   2352 H  HA2  B GLY B 1 41  ? -10.97854 -17.20342 50.30713 0.961 20.07255 ? 37  GLY B HA2  1 
ATOM   2353 H  HA3  A GLY B 1 41  ? -10.80151 -18.69227 50.03996 0.039 20.08520 ? 37  GLY B HA3  1 
ATOM   2354 H  HA3  B GLY B 1 41  ? -10.74362 -18.73647 50.00878 0.961 20.07255 ? 37  GLY B HA3  1 
ATOM   2355 N  N    . ARG B 1 42  ? -8.14620  -17.42092 49.18634 1.000 18.33802 ? 38  ARG B N    1 
ATOM   2356 C  CA   . ARG B 1 42  ? -6.71712  -17.36556 49.42276 1.000 21.17657 ? 38  ARG B CA   1 
ATOM   2357 C  C    . ARG B 1 42  ? -6.23307  -15.94635 49.14942 1.000 18.18716 ? 38  ARG B C    1 
ATOM   2358 O  O    . ARG B 1 42  ? -6.84513  -15.20602 48.37350 1.000 17.79733 ? 38  ARG B O    1 
ATOM   2359 C  CB   . ARG B 1 42  ? -6.03418  -18.40146 48.50665 1.000 22.22162 ? 38  ARG B CB   1 
ATOM   2360 C  CG   . ARG B 1 42  ? -4.51255  -18.57125 48.62979 1.000 20.22654 ? 38  ARG B CG   1 
ATOM   2361 C  CD   . ARG B 1 42  ? -4.00632  -19.51735 47.55379 1.000 24.43196 ? 38  ARG B CD   1 
ATOM   2362 N  NE   . ARG B 1 42  ? -4.13740  -18.91248 46.23470 1.000 23.70292 ? 38  ARG B NE   1 
ATOM   2363 C  CZ   . ARG B 1 42  ? -3.91290  -19.54759 45.08742 1.000 28.71051 ? 38  ARG B CZ   1 
ATOM   2364 N  NH1  . ARG B 1 42  ? -3.56072  -20.83206 45.09654 1.000 27.22901 ? 38  ARG B NH1  1 
ATOM   2365 N  NH2  . ARG B 1 42  ? -4.05291  -18.89807 43.93401 1.000 26.35709 ? 38  ARG B NH2  1 
ATOM   2366 H  H    . ARG B 1 42  ? -8.36838  -17.26685 48.36994 1.000 22.02918 ? 38  ARG B H    1 
ATOM   2367 H  HA   . ARG B 1 42  ? -6.47518  -17.56639 50.34038 1.000 25.43545 ? 38  ARG B HA   1 
ATOM   2368 H  HB2  . ARG B 1 42  ? -6.42769  -19.26796 48.69431 1.000 26.68951 ? 38  ARG B HB2  1 
ATOM   2369 H  HB3  . ARG B 1 42  ? -6.21314  -18.14783 47.58766 1.000 26.68951 ? 38  ARG B HB3  1 
ATOM   2370 H  HG2  . ARG B 1 42  ? -4.07749  -17.71153 48.51794 1.000 24.29542 ? 38  ARG B HG2  1 
ATOM   2371 H  HG3  . ARG B 1 42  ? -4.29427  -18.94298 49.49873 1.000 24.29542 ? 38  ARG B HG3  1 
ATOM   2372 H  HD2  . ARG B 1 42  ? -3.06988  -19.71570 47.71071 1.000 29.34192 ? 38  ARG B HD2  1 
ATOM   2373 H  HD3  . ARG B 1 42  ? -4.52626  -20.33604 47.57097 1.000 29.34192 ? 38  ARG B HD3  1 
ATOM   2374 H  HE   . ARG B 1 42  ? -4.37657  -18.08736 46.19499 1.000 28.46707 ? 38  ARG B HE   1 
ATOM   2375 N  N    . LYS B 1 43  ? -5.12583  -15.57992 49.78371 1.000 18.20939 ? 39  LYS B N    1 
ATOM   2376 C  CA   . LYS B 1 43  ? -4.54520  -14.25558 49.63460 1.000 17.13294 ? 39  LYS B CA   1 
ATOM   2377 C  C    . LYS B 1 43  ? -3.90699  -14.08038 48.25384 1.000 17.23559 ? 39  LYS B C    1 
ATOM   2378 O  O    . LYS B 1 43  ? -3.66178  -15.03907 47.51192 1.000 18.83666 ? 39  LYS B O    1 
ATOM   2379 C  CB   . LYS B 1 43  ? -3.49845  -14.00381 50.72281 1.000 19.29502 ? 39  LYS B CB   1 
ATOM   2380 C  CG   . LYS B 1 43  ? -4.07652  -13.88249 52.13189 1.000 25.55668 ? 39  LYS B CG   1 
ATOM   2381 C  CD   . LYS B 1 43  ? -3.00498  -13.50029 53.13391 1.000 31.64865 ? 39  LYS B CD   1 
ATOM   2382 C  CE   . LYS B 1 43  ? -3.59160  -12.70363 54.29317 1.000 56.70723 ? 39  LYS B CE   1 
ATOM   2383 N  NZ   . LYS B 1 43  ? -4.70953  -13.41029 54.98224 1.000 73.41720 ? 39  LYS B NZ   1 
ATOM   2384 H  H    . LYS B 1 43  ? -4.68301  -16.08943 50.31654 1.000 21.87483 ? 39  LYS B H    1 
ATOM   2385 H  HA   . LYS B 1 43  ? -5.24894  -13.59400 49.72390 1.000 20.44170 ? 39  LYS B HA   1 
ATOM   2386 H  HB2  . LYS B 1 43  ? -2.86986  -14.74257 50.72525 1.000 23.17759 ? 39  LYS B HB2  1 
ATOM   2387 H  HB3  . LYS B 1 43  ? -3.03578  -13.17520 50.52223 1.000 23.17759 ? 39  LYS B HB3  1 
ATOM   2388 H  HG2  . LYS B 1 43  ? -4.76247  -13.19671 52.14092 1.000 30.69159 ? 39  LYS B HG2  1 
ATOM   2389 H  HG3  . LYS B 1 43  ? -4.45556  -14.73440 52.39923 1.000 30.69159 ? 39  LYS B HG3  1 
ATOM   2390 H  HD2  . LYS B 1 43  ? -2.59629  -14.30423 53.49106 1.000 38.00194 ? 39  LYS B HD2  1 
ATOM   2391 H  HD3  . LYS B 1 43  ? -2.33415  -12.95369 52.69560 1.000 38.00194 ? 39  LYS B HD3  1 
ATOM   2392 H  HE2  . LYS B 1 43  ? -2.89438  -12.53940 54.94724 1.000 68.07224 ? 39  LYS B HE2  1 
ATOM   2393 H  HE3  . LYS B 1 43  ? -3.93439  -11.86154 53.95513 1.000 68.07224 ? 39  LYS B HE3  1 
ATOM   2394 H  HZ1  . LYS B 1 43  ? -5.02498  -12.90719 55.64518 1.000 88.12421 ? 39  LYS B HZ1  1 
ATOM   2395 H  HZ2  . LYS B 1 43  ? -5.36745  -13.57405 54.40569 1.000 88.12421 ? 39  LYS B HZ2  1 
ATOM   2396 H  HZ3  . LYS B 1 43  ? -4.42071  -14.18235 55.31782 1.000 88.12421 ? 39  LYS B HZ3  1 
ATOM   2397 N  N    . THR B 1 44  ? -3.63856  -12.82160 47.91992 1.000 17.50690 ? 40  THR B N    1 
ATOM   2398 C  CA   . THR B 1 44  ? -2.95556  -12.50209 46.68024 1.000 15.61874 ? 40  THR B CA   1 
ATOM   2399 C  C    . THR B 1 44  ? -1.55314  -13.08658 46.69348 1.000 16.07654 ? 40  THR B C    1 
ATOM   2400 O  O    . THR B 1 44  ? -0.93576  -13.26193 47.75205 1.000 16.83540 ? 40  THR B O    1 
ATOM   2401 C  CB   . THR B 1 44  ? -2.81804  -10.99520 46.49193 1.000 17.95946 ? 40  THR B CB   1 
ATOM   2402 O  OG1  . THR B 1 44  ? -2.12581  -10.42856 47.60619 1.000 27.33149 ? 40  THR B OG1  1 
ATOM   2403 C  CG2  . THR B 1 44  ? -4.17280  -10.31767 46.32005 1.000 17.04615 ? 40  THR B CG2  1 
ATOM   2404 H  H    . THR B 1 44  ? -3.84239  -12.13479 48.39568 1.000 21.03185 ? 40  THR B H    1 
ATOM   2405 H  HA   . THR B 1 44  ? -3.47485  -12.86743 45.94691 1.000 18.62466 ? 40  THR B HA   1 
ATOM   2406 H  HB   . THR B 1 44  ? -2.31208  -10.82906 45.68118 1.000 21.57492 ? 40  THR B HB   1 
ATOM   2407 H  HG1  . THR B 1 44  ? -1.96238  -9.61756  47.46067 1.000 32.82136 ? 40  THR B HG1  1 
ATOM   2408 H  HG21 . THR B 1 44  ? -4.05152  -9.40943  46.00178 1.000 20.47895 ? 40  THR B HG21 1 
ATOM   2409 H  HG22 . THR B 1 44  ? -4.70951  -10.80740 45.67739 1.000 20.47895 ? 40  THR B HG22 1 
ATOM   2410 H  HG23 . THR B 1 44  ? -4.64187  -10.29383 47.16876 1.000 20.47895 ? 40  THR B HG23 1 
ATOM   2411 N  N    . GLY B 1 45  ? -1.04604  -13.37403 45.49225 1.000 16.41306 ? 41  GLY B N    1 
ATOM   2412 C  CA   . GLY B 1 45  ? 0.35801   -13.69343 45.34192 1.000 16.16895 ? 41  GLY B CA   1 
ATOM   2413 C  C    . GLY B 1 45  ? 0.78415   -15.08374 45.75306 1.000 16.64179 ? 41  GLY B C    1 
ATOM   2414 O  O    . GLY B 1 45  ? 1.97254   -15.29000 46.02289 1.000 20.22061 ? 41  GLY B O    1 
ATOM   2415 H  H    . GLY B 1 45  ? -1.49595  -13.38884 44.75947 1.000 19.71924 ? 41  GLY B H    1 
ATOM   2416 H  HA2  . GLY B 1 45  ? 0.59604   -13.58351 44.40802 1.000 19.42630 ? 41  GLY B HA2  1 
ATOM   2417 H  HA3  . GLY B 1 45  ? 0.87088   -13.06559 45.87454 1.000 19.42630 ? 41  GLY B HA3  1 
ATOM   2418 N  N    . GLN B 1 46  ? -0.12624  -16.06649 45.77633 1.000 16.69552 ? 42  GLN B N    1 
ATOM   2419 C  CA   . GLN B 1 46  ? 0.16717   -17.35523 46.39755 1.000 19.07536 ? 42  GLN B CA   1 
ATOM   2420 C  C    . GLN B 1 46  ? 0.26336   -18.53529 45.43981 1.000 21.13496 ? 42  GLN B C    1 
ATOM   2421 O  O    . GLN B 1 46  ? 0.58582   -19.64198 45.88929 1.000 22.54572 ? 42  GLN B O    1 
ATOM   2422 C  CB   . GLN B 1 46  ? -0.86275  -17.68481 47.48280 1.000 18.42964 ? 42  GLN B CB   1 
ATOM   2423 C  CG   . GLN B 1 46  ? -0.93935  -16.64458 48.56786 1.000 25.27187 ? 42  GLN B CG   1 
ATOM   2424 C  CD   . GLN B 1 46  ? 0.40036   -16.39258 49.19865 1.000 24.53293 ? 42  GLN B CD   1 
ATOM   2425 O  OE1  . GLN B 1 46  ? 1.13274   -17.33973 49.52719 1.000 26.93607 ? 42  GLN B OE1  1 
ATOM   2426 N  NE2  . GLN B 1 46  ? 0.75993   -15.12209 49.34135 1.000 27.11824 ? 42  GLN B NE2  1 
ATOM   2427 H  H    . GLN B 1 46  ? -0.91495  -16.00512 45.43903 1.000 19.91680 ? 42  GLN B H    1 
ATOM   2428 H  HA   . GLN B 1 46  ? 1.03910   -17.25858 46.81143 1.000 22.91399 ? 42  GLN B HA   1 
ATOM   2429 H  HB2  . GLN B 1 46  ? -1.73922  -17.75274 47.07281 1.000 22.13914 ? 42  GLN B HB2  1 
ATOM   2430 H  HB3  . GLN B 1 46  ? -0.62341  -18.52917 47.89594 1.000 22.13914 ? 42  GLN B HB3  1 
ATOM   2431 H  HG2  . GLN B 1 46  ? -1.25796  -15.81054 48.18870 1.000 30.34981 ? 42  GLN B HG2  1 
ATOM   2432 H  HG3  . GLN B 1 46  ? -1.54797  -16.94859 49.25927 1.000 30.34981 ? 42  GLN B HG3  1 
ATOM   2433 H  HE21 . GLN B 1 46  ? 0.23451   -14.49430 49.07789 1.000 32.56545 ? 42  GLN B HE21 1 
ATOM   2434 H  HE22 . GLN B 1 46  ? 1.51819   -14.92717 49.69722 1.000 32.56545 ? 42  GLN B HE22 1 
ATOM   2435 N  N    . ALA B 1 47  ? -0.01102  -18.35809 44.15607 1.000 20.44567 ? 43  ALA B N    1 
ATOM   2436 C  CA   . ALA B 1 47  ? 0.07538   -19.49245 43.25087 1.000 16.39116 ? 43  ALA B CA   1 
ATOM   2437 C  C    . ALA B 1 47  ? 1.48052   -20.08690 43.29991 1.000 21.54021 ? 43  ALA B C    1 
ATOM   2438 O  O    . ALA B 1 47  ? 2.47504   -19.36712 43.18501 1.000 21.04527 ? 43  ALA B O    1 
ATOM   2439 C  CB   . ALA B 1 47  ? -0.28410  -19.05837 41.83799 1.000 15.52805 ? 43  ALA B CB   1 
ATOM   2440 H  H    . ALA B 1 47  ? -0.24290  -17.61377 43.79300 1.000 24.55836 ? 43  ALA B H    1 
ATOM   2441 H  HA   . ALA B 1 47  ? -0.55513  -20.18001 43.51662 1.000 19.55156 ? 43  ALA B HA   1 
ATOM   2442 H  HB1  . ALA B 1 47  ? -0.13958  -19.80239 41.23264 1.000 18.51583 ? 43  ALA B HB1  1 
ATOM   2443 H  HB2  . ALA B 1 47  ? -1.21639  -18.79134 41.81723 1.000 18.51583 ? 43  ALA B HB2  1 
ATOM   2444 H  HB3  . ALA B 1 47  ? 0.27977   -18.31104 41.58412 1.000 18.51583 ? 43  ALA B HB3  1 
ATOM   2445 N  N    . ALA B 1 48  ? 1.55717   -21.40439 43.48684 1.000 18.61709 ? 44  ALA B N    1 
ATOM   2446 C  CA   . ALA B 1 48  ? 2.84560   -22.06510 43.68241 1.000 20.56257 ? 44  ALA B CA   1 
ATOM   2447 C  C    . ALA B 1 48  ? 3.72728   -21.91971 42.44524 1.000 18.59306 ? 44  ALA B C    1 
ATOM   2448 O  O    . ALA B 1 48  ? 3.37008   -22.38270 41.35764 1.000 20.43696 ? 44  ALA B O    1 
ATOM   2449 C  CB   . ALA B 1 48  ? 2.62400   -23.54378 43.99658 1.000 22.43317 ? 44  ALA B CB   1 
ATOM   2450 H  H    . ALA B 1 48  ? 0.88158   -21.93623 43.50475 1.000 22.36407 ? 44  ALA B H    1 
ATOM   2451 H  HA   . ALA B 1 48  ? 3.30169   -21.64795 44.42998 1.000 24.69866 ? 44  ALA B HA   1 
ATOM   2452 H  HB1  . ALA B 1 48  ? 3.48548   -23.98320 44.07182 1.000 26.94338 ? 44  ALA B HB1  1 
ATOM   2453 H  HB2  . ALA B 1 48  ? 2.13974   -23.61966 44.83363 1.000 26.94338 ? 44  ALA B HB2  1 
ATOM   2454 H  HB3  . ALA B 1 48  ? 2.10936   -23.94539 43.27912 1.000 26.94338 ? 44  ALA B HB3  1 
ATOM   2455 N  N    . GLY B 1 49  ? 4.89411   -21.29291 42.62157 1.000 17.64944 ? 45  GLY B N    1 
ATOM   2456 C  CA   . GLY B 1 49  ? 5.89268   -21.23007 41.57558 1.000 18.34811 ? 45  GLY B CA   1 
ATOM   2457 C  C    . GLY B 1 49  ? 5.78882   -20.05133 40.63708 1.000 18.09363 ? 45  GLY B C    1 
ATOM   2458 O  O    . GLY B 1 49  ? 6.62943   -19.92851 39.73743 1.000 20.47673 ? 45  GLY B O    1 
ATOM   2459 H  H    . GLY B 1 49  ? 5.12393   -20.89547 43.34878 1.000 21.06150 ? 45  GLY B H    1 
ATOM   2460 H  HA2  . GLY B 1 49  ? 6.76914   -21.19678 41.98983 1.000 22.04130 ? 45  GLY B HA2  1 
ATOM   2461 H  HA3  . GLY B 1 49  ? 5.82695   -22.03609 41.03994 1.000 22.04130 ? 45  GLY B HA3  1 
ATOM   2462 N  N    . PHE B 1 50  ? 4.79158   -19.18925 40.78891 1.000 17.93423 ? 46  PHE B N    1 
ATOM   2463 C  CA   . PHE B 1 50  ? 4.68926   -18.00354 39.95372 1.000 19.36231 ? 46  PHE B CA   1 
ATOM   2464 C  C    . PHE B 1 50  ? 5.45383   -16.85462 40.59034 1.000 18.79120 ? 46  PHE B C    1 
ATOM   2465 O  O    . PHE B 1 50  ? 5.39187   -16.65338 41.80238 1.000 20.38711 ? 46  PHE B O    1 
ATOM   2466 C  CB   . PHE B 1 50  ? 3.22995   -17.59280 39.74779 1.000 14.96973 ? 46  PHE B CB   1 
ATOM   2467 C  CG   . PHE B 1 50  ? 3.08448   -16.46625 38.77030 1.000 14.19482 ? 46  PHE B CG   1 
ATOM   2468 C  CD1  . PHE B 1 50  ? 3.14224   -16.71626 37.40384 1.000 17.35670 ? 46  PHE B CD1  1 
ATOM   2469 C  CD2  . PHE B 1 50  ? 2.95259   -15.16649 39.21090 1.000 15.33420 ? 46  PHE B CD2  1 
ATOM   2470 C  CE1  . PHE B 1 50  ? 3.04358   -15.68915 36.49884 1.000 13.65449 ? 46  PHE B CE1  1 
ATOM   2471 C  CE2  . PHE B 1 50  ? 2.85624   -14.12879 38.31406 1.000 15.55897 ? 46  PHE B CE2  1 
ATOM   2472 C  CZ   . PHE B 1 50  ? 2.91753   -14.38813 36.95275 1.000 17.11237 ? 46  PHE B CZ   1 
ATOM   2473 H  H    . PHE B 1 50  ? 4.16240   -19.27062 41.36952 1.000 21.54465 ? 46  PHE B H    1 
ATOM   2474 H  HA   . PHE B 1 50  ? 5.07157   -18.19670 39.08342 1.000 23.25834 ? 46  PHE B HA   1 
ATOM   2475 H  HB2  . PHE B 1 50  ? 2.73177   -18.35273 39.40836 1.000 17.92710 ? 46  PHE B HB2  1 
ATOM   2476 H  HB3  . PHE B 1 50  ? 2.85892   -17.30525 40.59665 1.000 17.92710 ? 46  PHE B HB3  1 
ATOM   2477 H  HD1  . PHE B 1 50  ? 3.24886   -17.58868 37.09984 1.000 20.85160 ? 46  PHE B HD1  1 
ATOM   2478 H  HD2  . PHE B 1 50  ? 2.92856   -14.98993 40.12367 1.000 18.42461 ? 46  PHE B HD2  1 
ATOM   2479 H  HE1  . PHE B 1 50  ? 3.06135   -15.86654 35.58609 1.000 16.40895 ? 46  PHE B HE1  1 
ATOM   2480 H  HE2  . PHE B 1 50  ? 2.75042   -13.25656 38.61887 1.000 18.69433 ? 46  PHE B HE2  1 
ATOM   2481 H  HZ   . PHE B 1 50  ? 2.87381   -13.68633 36.34409 1.000 20.55841 ? 46  PHE B HZ   1 
ATOM   2482 N  N    . ALA B 1 51  ? 6.16385   -16.09468 39.76216 1.000 18.75293 ? 47  ALA B N    1 
ATOM   2483 C  CA   . ALA B 1 51  ? 6.94685   -14.95100 40.22594 1.000 23.95717 ? 47  ALA B CA   1 
ATOM   2484 C  C    . ALA B 1 51  ? 6.10177   -13.68832 40.07729 1.000 18.25008 ? 47  ALA B C    1 
ATOM   2485 O  O    . ALA B 1 51  ? 5.98237   -13.12361 38.99353 1.000 18.40722 ? 47  ALA B O    1 
ATOM   2486 C  CB   . ALA B 1 51  ? 8.23004   -14.84576 39.41497 1.000 26.25742 ? 47  ALA B CB   1 
ATOM   2487 H  H    . ALA B 1 51  ? 6.20879   -16.22340 38.91303 1.000 22.52708 ? 47  ALA B H    1 
ATOM   2488 H  HA   . ALA B 1 51  ? 7.16326   -15.06378 41.16474 1.000 28.77217 ? 47  ALA B HA   1 
ATOM   2489 H  HB1  . ALA B 1 51  ? 8.74125   -14.08404 39.73016 1.000 31.53247 ? 47  ALA B HB1  1 
ATOM   2490 H  HB2  . ALA B 1 51  ? 8.74437   -15.66000 39.53058 1.000 31.53247 ? 47  ALA B HB2  1 
ATOM   2491 H  HB3  . ALA B 1 51  ? 8.00345   -14.72771 38.47922 1.000 31.53247 ? 47  ALA B HB3  1 
ATOM   2492 N  N    . TYR B 1 52  ? 5.52104   -13.22912 41.18126 1.000 21.12117 ? 48  TYR B N    1 
ATOM   2493 C  CA   . TYR B 1 52  ? 4.65287   -12.05955 41.19112 1.000 19.13901 ? 48  TYR B CA   1 
ATOM   2494 C  C    . TYR B 1 52  ? 5.45357   -10.76982 41.38349 1.000 16.85734 ? 48  TYR B C    1 
ATOM   2495 O  O    . TYR B 1 52  ? 6.57375   -10.78359 41.89674 1.000 20.25157 ? 48  TYR B O    1 
ATOM   2496 C  CB   . TYR B 1 52  ? 3.70398   -12.16732 42.37449 1.000 17.61344 ? 48  TYR B CB   1 
ATOM   2497 C  CG   . TYR B 1 52  ? 2.62911   -13.22968 42.28295 1.000 17.55098 ? 48  TYR B CG   1 
ATOM   2498 C  CD1  . TYR B 1 52  ? 2.84419   -14.51254 42.78560 1.000 16.33385 ? 48  TYR B CD1  1 
ATOM   2499 C  CD2  . TYR B 1 52  ? 1.38478   -12.93549 41.74786 1.000 17.85862 ? 48  TYR B CD2  1 
ATOM   2500 C  CE1  . TYR B 1 52  ? 1.84869   -15.47887 42.72887 1.000 17.13056 ? 48  TYR B CE1  1 
ATOM   2501 C  CE2  . TYR B 1 52  ? 0.38061   -13.89827 41.69367 1.000 17.08409 ? 48  TYR B CE2  1 
ATOM   2502 C  CZ   . TYR B 1 52  ? 0.61787   -15.16310 42.19965 1.000 14.93109 ? 48  TYR B CZ   1 
ATOM   2503 O  OH   . TYR B 1 52  ? -0.39566  -16.11535 42.15157 1.000 16.09810 ? 48  TYR B OH   1 
ATOM   2504 H  H    . TYR B 1 52  ? 5.61782   -13.58818 41.95670 1.000 25.36897 ? 48  TYR B H    1 
ATOM   2505 H  HA   . TYR B 1 52  ? 4.17578   -12.01611 40.34768 1.000 22.99038 ? 48  TYR B HA   1 
ATOM   2506 H  HB2  . TYR B 1 52  ? 4.23007   -12.36243 43.16574 1.000 21.15970 ? 48  TYR B HB2  1 
ATOM   2507 H  HB3  . TYR B 1 52  ? 3.25313   -11.31470 42.47779 1.000 21.15970 ? 48  TYR B HB3  1 
ATOM   2508 H  HD1  . TYR B 1 52  ? 3.66675   -14.72404 43.16451 1.000 19.62418 ? 48  TYR B HD1  1 
ATOM   2509 H  HD2  . TYR B 1 52  ? 1.21803   -12.08138 41.41983 1.000 21.45392 ? 48  TYR B HD2  1 
ATOM   2510 H  HE1  . TYR B 1 52  ? 2.01305   -16.33698 43.04752 1.000 20.58024 ? 48  TYR B HE1  1 
ATOM   2511 H  HE2  . TYR B 1 52  ? -0.44527  -13.69186 41.31921 1.000 20.52448 ? 48  TYR B HE2  1 
ATOM   2512 H  HH   . TYR B 1 52  ? -1.12443  -15.74935 41.95022 1.000 19.34129 ? 48  TYR B HH   1 
ATOM   2513 N  N    . THR B 1 53  ? 4.83233   -9.63268  41.03493 1.000 19.47736 ? 49  THR B N    1 
ATOM   2514 C  CA   . THR B 1 53  ? 5.42015   -8.36005  41.45022 1.000 19.38931 ? 49  THR B CA   1 
ATOM   2515 C  C    . THR B 1 53  ? 5.34903   -8.22948  42.96432 1.000 19.07226 ? 49  THR B C    1 
ATOM   2516 O  O    . THR B 1 53  ? 4.49698   -8.82272  43.62813 1.000 18.84832 ? 49  THR B O    1 
ATOM   2517 C  CB   . THR B 1 53  ? 4.68336   -7.14499  40.87172 1.000 19.61922 ? 49  THR B CB   1 
ATOM   2518 O  OG1  . THR B 1 53  ? 3.32134   -7.15925  41.29160 1.000 18.22678 ? 49  THR B OG1  1 
ATOM   2519 C  CG2  . THR B 1 53  ? 4.72649   -7.10794  39.36024 1.000 17.14862 ? 49  THR B CG2  1 
ATOM   2520 H  H    . THR B 1 53  ? 4.10454   -9.57738  40.58011 1.000 23.39640 ? 49  THR B H    1 
ATOM   2521 H  HA   . THR B 1 53  ? 6.33510   -8.34882  41.12829 1.000 23.29074 ? 49  THR B HA   1 
ATOM   2522 H  HB   . THR B 1 53  ? 5.12834   -6.34651  41.19626 1.000 23.56663 ? 49  THR B HB   1 
ATOM   2523 H  HG1  . THR B 1 53  ? 2.92427   -7.81923  40.95639 1.000 21.89570 ? 49  THR B HG1  1 
ATOM   2524 H  HG21 . THR B 1 53  ? 4.31445   -6.29166  39.03650 1.000 20.60191 ? 49  THR B HG21 1 
ATOM   2525 H  HG22 . THR B 1 53  ? 5.64625   -7.13932  39.05373 1.000 20.60191 ? 49  THR B HG22 1 
ATOM   2526 H  HG23 . THR B 1 53  ? 4.24714   -7.86847  38.99593 1.000 20.60191 ? 49  THR B HG23 1 
ATOM   2527 N  N    . ASP B 1 54  ? 6.25329   -7.41485  43.50978 1.000 16.28617 ? 50  ASP B N    1 
ATOM   2528 C  CA   . ASP B 1 54  ? 6.10589   -6.99459  44.89938 1.000 18.65368 ? 50  ASP B CA   1 
ATOM   2529 C  C    . ASP B 1 54  ? 4.70838   -6.45110  45.17246 1.000 16.81610 ? 50  ASP B C    1 
ATOM   2530 O  O    . ASP B 1 54  ? 4.14024   -6.69910  46.24196 1.000 17.89174 ? 50  ASP B O    1 
ATOM   2531 C  CB   . ASP B 1 54  ? 7.14090   -5.92004  45.23281 1.000 22.71935 ? 50  ASP B CB   1 
ATOM   2532 C  CG   . ASP B 1 54  ? 8.51272   -6.49723  45.50015 1.000 41.32433 ? 50  ASP B CG   1 
ATOM   2533 O  OD1  . ASP B 1 54  ? 8.67278   -7.73096  45.40385 1.000 29.86880 ? 50  ASP B OD1  1 
ATOM   2534 O  OD2  . ASP B 1 54  ? 9.43255   -5.71754  45.81891 1.000 53.82195 ? 50  ASP B OD2  1 
ATOM   2535 H  H    . ASP B 1 54  ? 6.94451   -7.09856  43.10757 1.000 19.56697 ? 50  ASP B H    1 
ATOM   2536 H  HA   . ASP B 1 54  ? 6.25697   -7.76513  45.46891 1.000 22.40799 ? 50  ASP B HA   1 
ATOM   2537 H  HB2  . ASP B 1 54  ? 7.21333   -5.30710  44.48451 1.000 27.28679 ? 50  ASP B HB2  1 
ATOM   2538 H  HB3  . ASP B 1 54  ? 6.85608   -5.44167  46.02713 1.000 27.28679 ? 50  ASP B HB3  1 
ATOM   2539 N  N    . ALA B 1 55  ? 4.16270   -5.67004  44.23774 1.000 15.43772 ? 51  ALA B N    1 
ATOM   2540 C  CA   . ALA B 1 55  ? 2.85843   -5.04701  44.43739 1.000 19.55932 ? 51  ALA B CA   1 
ATOM   2541 C  C    . ALA B 1 55  ? 1.76296   -6.08719  44.65903 1.000 20.06594 ? 51  ALA B C    1 
ATOM   2542 O  O    . ALA B 1 55  ? 0.97762   -5.97812  45.60370 1.000 16.71498 ? 51  ALA B O    1 
ATOM   2543 C  CB   . ALA B 1 55  ? 2.52565   -4.13202  43.26106 1.000 23.04559 ? 51  ALA B CB   1 
ATOM   2544 H  H    . ALA B 1 55  ? 4.52612   -5.48508  43.48056 1.000 18.54883 ? 51  ALA B H    1 
ATOM   2545 H  HA   . ALA B 1 55  ? 2.89923   -4.49818  45.23615 1.000 23.49476 ? 51  ALA B HA   1 
ATOM   2546 H  HB1  . ALA B 1 55  ? 1.66507   -3.71364  43.42001 1.000 27.67828 ? 51  ALA B HB1  1 
ATOM   2547 H  HB2  . ALA B 1 55  ? 3.21431   -3.45323  43.18430 1.000 27.67828 ? 51  ALA B HB2  1 
ATOM   2548 H  HB3  . ALA B 1 55  ? 2.49111   -4.66149  42.44905 1.000 27.67828 ? 51  ALA B HB3  1 
ATOM   2549 N  N    A ASN B 1 56  ? 1.65954   -7.09071  43.78480 0.451 14.54190 ? 52  ASN B N    1 
ATOM   2550 N  N    B ASN B 1 56  ? 1.72341   -7.11986  43.81565 0.549 17.09531 ? 52  ASN B N    1 
ATOM   2551 C  CA   A ASN B 1 56  ? 0.64623   -8.11290  44.02452 0.451 16.15870 ? 52  ASN B CA   1 
ATOM   2552 C  CA   B ASN B 1 56  ? 0.70797   -8.16036  43.92888 0.549 16.09066 ? 52  ASN B CA   1 
ATOM   2553 C  C    A ASN B 1 56  ? 0.88611   -8.82429  45.34746 0.451 19.22626 ? 52  ASN B C    1 
ATOM   2554 C  C    B ASN B 1 56  ? 0.89731   -9.02035  45.17951 0.549 16.98457 ? 52  ASN B C    1 
ATOM   2555 O  O    A ASN B 1 56  ? -0.05601  -9.03610  46.12113 0.451 17.99827 ? 52  ASN B O    1 
ATOM   2556 O  O    B ASN B 1 56  ? -0.07865  -9.55880  45.71420 0.549 21.21885 ? 52  ASN B O    1 
ATOM   2557 C  CB   A ASN B 1 56  ? 0.57732   -9.13280  42.89455 0.451 16.65411 ? 52  ASN B CB   1 
ATOM   2558 C  CB   B ASN B 1 56  ? 0.75604   -9.00908  42.66066 0.549 18.04201 ? 52  ASN B CB   1 
ATOM   2559 C  CG   A ASN B 1 56  ? -0.22076  -10.37770 43.29597 0.451 14.60239 ? 52  ASN B CG   1 
ATOM   2560 C  CG   B ASN B 1 56  ? -0.45195  -9.91113  42.50212 0.549 10.88720 ? 52  ASN B CG   1 
ATOM   2561 O  OD1  A ASN B 1 56  ? 0.23675   -11.18213 44.09563 0.451 18.31766 ? 52  ASN B OD1  1 
ATOM   2562 O  OD1  B ASN B 1 56  ? -1.00227  -10.42428 43.47698 0.549 26.56541 ? 52  ASN B OD1  1 
ATOM   2563 N  ND2  A ASN B 1 56  ? -1.42204  -10.52625 42.75044 0.451 9.51284  ? 52  ASN B ND2  1 
ATOM   2564 N  ND2  B ASN B 1 56  ? -0.85887  -10.11807 41.27768 0.549 12.23386 ? 52  ASN B ND2  1 
ATOM   2565 H  H    A ASN B 1 56  ? 2.13995   -7.19796  43.07961 0.451 17.47385 ? 52  ASN B H    1 
ATOM   2566 H  H    B ASN B 1 56  ? 2.27446   -7.24251  43.16689 0.549 20.53794 ? 52  ASN B H    1 
ATOM   2567 H  HA   A ASN B 1 56  ? -0.21213  -7.66197  44.05230 0.451 19.41401 ? 52  ASN B HA   1 
ATOM   2568 H  HA   B ASN B 1 56  ? -0.17165  -7.75897  44.00667 0.549 19.33236 ? 52  ASN B HA   1 
ATOM   2569 H  HB2  A ASN B 1 56  ? 0.14418   -8.72930  42.12612 0.451 20.00850 ? 52  ASN B HB2  1 
ATOM   2570 H  HB2  B ASN B 1 56  ? 0.79283   -8.42136  41.88986 0.549 21.67397 ? 52  ASN B HB2  1 
ATOM   2571 H  HB3  A ASN B 1 56  ? 1.47651   -9.41117  42.66032 0.451 20.00850 ? 52  ASN B HB3  1 
ATOM   2572 H  HB3  B ASN B 1 56  ? 1.54642   -9.57075  42.68761 0.549 21.67397 ? 52  ASN B HB3  1 
ATOM   2573 H  HD21 A ASN B 1 56  ? -1.90275  -11.21116 42.94896 0.451 11.29758 ? 52  ASN B HD21 1 
ATOM   2574 H  HD21 B ASN B 1 56  ? -1.54005  -10.62193 41.13030 0.549 14.70420 ? 52  ASN B HD21 1 
ATOM   2575 H  HD22 A ASN B 1 56  ? -1.71946  -9.93755  42.19856 0.451 11.29758 ? 52  ASN B HD22 1 
ATOM   2576 H  HD22 B ASN B 1 56  ? -0.44549  -9.75040  40.61925 0.549 14.70420 ? 52  ASN B HD22 1 
ATOM   2577 N  N    . LYS B 1 57  ? 2.13909   -9.19358  45.63769 1.000 21.24242 ? 53  LYS B N    1 
ATOM   2578 C  CA   . LYS B 1 57  ? 2.39148   -9.92468  46.87981 1.000 28.52010 ? 53  LYS B CA   1 
ATOM   2579 C  C    . LYS B 1 57  ? 1.99894   -9.09525  48.09209 1.000 26.40145 ? 53  LYS B C    1 
ATOM   2580 O  O    . LYS B 1 57  ? 1.46303   -9.62462  49.07636 1.000 31.34291 ? 53  LYS B O    1 
ATOM   2581 C  CB   . LYS B 1 57  ? 3.86004   -10.34265 46.96454 1.000 27.63469 ? 53  LYS B CB   1 
ATOM   2582 C  CG   . LYS B 1 57  ? 4.18221   -11.57577 46.13444 1.000 39.34485 ? 53  LYS B CG   1 
ATOM   2583 C  CD   . LYS B 1 57  ? 5.58999   -12.10647 46.40196 1.000 47.58464 ? 53  LYS B CD   1 
ATOM   2584 C  CE   . LYS B 1 57  ? 6.56704   -11.71904 45.29722 1.000 53.24453 ? 53  LYS B CE   1 
ATOM   2585 N  NZ   . LYS B 1 57  ? 7.76361   -12.60872 45.27489 1.000 60.49912 ? 53  LYS B NZ   1 
ATOM   2586 H  H    . LYS B 1 57  ? 2.85009   -8.90065  45.25262 1.000 25.51447 ? 53  LYS B H    1 
ATOM   2587 H  HA   . LYS B 1 57  ? 1.85506   -10.73286 46.87853 1.000 34.24769 ? 53  LYS B HA   1 
ATOM   2588 H  HB2  . LYS B 1 57  ? 4.41284   -9.61353  46.64253 1.000 33.18519 ? 53  LYS B HB2  1 
ATOM   2589 H  HB3  . LYS B 1 57  ? 4.07715   -10.54034 47.88903 1.000 33.18519 ? 53  LYS B HB3  1 
ATOM   2590 H  HG2  . LYS B 1 57  ? 3.54948   -12.27854 46.35045 1.000 47.23738 ? 53  LYS B HG2  1 
ATOM   2591 H  HG3  . LYS B 1 57  ? 4.11927   -11.35054 45.19305 1.000 47.23738 ? 53  LYS B HG3  1 
ATOM   2592 H  HD2  . LYS B 1 57  ? 5.91661   -11.73800 47.23770 1.000 57.12514 ? 53  LYS B HD2  1 
ATOM   2593 H  HD3  . LYS B 1 57  ? 5.56149   -13.07461 46.45489 1.000 57.12514 ? 53  LYS B HD3  1 
ATOM   2594 H  HE2  . LYS B 1 57  ? 6.12177   -11.78806 44.43822 1.000 63.91700 ? 53  LYS B HE2  1 
ATOM   2595 H  HE3  . LYS B 1 57  ? 6.86873   -10.80864 45.44232 1.000 63.91700 ? 53  LYS B HE3  1 
ATOM   2596 H  HZ1  . LYS B 1 57  ? 8.29589   -12.38605 44.59726 1.000 72.62252 ? 53  LYS B HZ1  1 
ATOM   2597 H  HZ2  . LYS B 1 57  ? 8.21684   -12.52848 46.03663 1.000 72.62252 ? 53  LYS B HZ2  1 
ATOM   2598 H  HZ3  . LYS B 1 57  ? 7.51084   -13.45645 45.17712 1.000 72.62252 ? 53  LYS B HZ3  1 
ATOM   2599 N  N    . ALA B 1 58  ? 2.23795   -7.79367  48.03313 1.000 23.05320 ? 54  ALA B N    1 
ATOM   2600 C  CA   . ALA B 1 58  ? 1.99353   -6.92946  49.17770 1.000 32.83643 ? 54  ALA B CA   1 
ATOM   2601 C  C    . ALA B 1 58  ? 0.52692   -6.55595  49.35057 1.000 25.37212 ? 54  ALA B C    1 
ATOM   2602 O  O    . ALA B 1 58  ? 0.15480   -6.07804  50.42886 1.000 23.06655 ? 54  ALA B O    1 
ATOM   2603 C  CB   . ALA B 1 58  ? 2.82047   -5.65018  49.03743 1.000 29.18242 ? 54  ALA B CB   1 
ATOM   2604 H  H    . ALA B 1 58  ? 2.54255   -7.38385  47.34112 1.000 27.68741 ? 54  ALA B H    1 
ATOM   2605 H  HA   . ALA B 1 58  ? 2.27158   -7.39919  49.97954 1.000 39.42728 ? 54  ALA B HA   1 
ATOM   2606 H  HB1  . ALA B 1 58  ? 2.68115   -5.09651  49.82162 1.000 35.04247 ? 54  ALA B HB1  1 
ATOM   2607 H  HB2  . ALA B 1 58  ? 3.75811   -5.88692  48.96200 1.000 35.04247 ? 54  ALA B HB2  1 
ATOM   2608 H  HB3  . ALA B 1 58  ? 2.53429   -5.17481  48.24180 1.000 35.04247 ? 54  ALA B HB3  1 
ATOM   2609 N  N    . LYS B 1 59  ? -0.31758  -6.75101  48.33169 1.000 20.56152 ? 55  LYS B N    1 
ATOM   2610 C  CA   . LYS B 1 59  ? -1.68664  -6.25361  48.41699 1.000 18.51157 ? 55  LYS B CA   1 
ATOM   2611 C  C    . LYS B 1 59  ? -2.39997  -6.83540  49.63586 1.000 20.83538 ? 55  LYS B C    1 
ATOM   2612 O  O    . LYS B 1 59  ? -3.06215  -6.10998  50.38939 1.000 25.30954 ? 55  LYS B O    1 
ATOM   2613 C  CB   . LYS B 1 59  ? -2.43488  -6.54788  47.10980 1.000 22.37280 ? 55  LYS B CB   1 
ATOM   2614 C  CG   . LYS B 1 59  ? -3.86772  -6.01802  47.03525 1.000 20.59673 ? 55  LYS B CG   1 
ATOM   2615 C  CD   . LYS B 1 59  ? -3.96497  -4.51476  47.20198 1.000 21.85858 ? 55  LYS B CD   1 
ATOM   2616 C  CE   . LYS B 1 59  ? -5.42309  -4.08209  47.21607 1.000 16.89089 ? 55  LYS B CE   1 
ATOM   2617 N  NZ   . LYS B 1 59  ? -5.58575  -2.59604  47.20820 1.000 20.13765 ? 55  LYS B NZ   1 
ATOM   2618 H  H    . LYS B 1 59  ? -0.12618  -7.15825  47.59880 1.000 24.69739 ? 55  LYS B H    1 
ATOM   2619 H  HA   . LYS B 1 59  ? -1.67637  -5.28961  48.52423 1.000 22.23745 ? 55  LYS B HA   1 
ATOM   2620 H  HB2  . LYS B 1 59  ? -1.94040  -6.14583  46.37854 1.000 26.87093 ? 55  LYS B HB2  1 
ATOM   2621 H  HB3  . LYS B 1 59  ? -2.47677  -7.50987  46.99264 1.000 26.87093 ? 55  LYS B HB3  1 
ATOM   2622 H  HG2  . LYS B 1 59  ? -4.24154  -6.24507  46.16945 1.000 24.73965 ? 55  LYS B HG2  1 
ATOM   2623 H  HG3  . LYS B 1 59  ? -4.39133  -6.42904  47.74080 1.000 24.73965 ? 55  LYS B HG3  1 
ATOM   2624 H  HD2  . LYS B 1 59  ? -3.55511  -4.25223  48.04102 1.000 26.25386 ? 55  LYS B HD2  1 
ATOM   2625 H  HD3  . LYS B 1 59  ? -3.51768  -4.07471  46.46226 1.000 26.25386 ? 55  LYS B HD3  1 
ATOM   2626 H  HE2  . LYS B 1 59  ? -5.86567  -4.43616  46.42889 1.000 20.29264 ? 55  LYS B HE2  1 
ATOM   2627 H  HE3  . LYS B 1 59  ? -5.84722  -4.42573  48.01790 1.000 20.29264 ? 55  LYS B HE3  1 
ATOM   2628 H  HZ1  . LYS B 1 59  ? -6.44909  -2.38409  47.25103 1.000 24.18874 ? 55  LYS B HZ1  1 
ATOM   2629 H  HZ2  . LYS B 1 59  ? -5.16593  -2.24016  47.90762 1.000 24.18874 ? 55  LYS B HZ2  1 
ATOM   2630 H  HZ3  . LYS B 1 59  ? -5.24161  -2.25610  46.46113 1.000 24.18874 ? 55  LYS B HZ3  1 
ATOM   2631 N  N    . GLY B 1 60  ? -2.28543  -8.14359  49.84701 1.000 18.99005 ? 56  GLY B N    1 
ATOM   2632 C  CA   . GLY B 1 60  ? -2.65968  -8.74641  51.11785 1.000 22.83361 ? 56  GLY B CA   1 
ATOM   2633 C  C    . GLY B 1 60  ? -4.12968  -9.08326  51.30592 1.000 23.30497 ? 56  GLY B C    1 
ATOM   2634 O  O    . GLY B 1 60  ? -4.50582  -9.54718  52.39167 1.000 25.64520 ? 56  GLY B O    1 
ATOM   2635 H  H    . GLY B 1 60  ? -1.99160  -8.70447  49.26506 1.000 22.81163 ? 56  GLY B H    1 
ATOM   2636 H  HA2  . GLY B 1 60  ? -2.15963  -9.57111  51.22141 1.000 27.42389 ? 56  GLY B HA2  1 
ATOM   2637 H  HA3  . GLY B 1 60  ? -2.41103  -8.13495  51.82862 1.000 27.42389 ? 56  GLY B HA3  1 
ATOM   2638 N  N    . ILE B 1 61  ? -4.96718  -8.89495  50.29292 1.000 15.56003 ? 57  ILE B N    1 
ATOM   2639 C  CA   . ILE B 1 61  ? -6.39308  -9.19116  50.38462 1.000 16.90842 ? 57  ILE B CA   1 
ATOM   2640 C  C    . ILE B 1 61  ? -6.63384  -10.64715 50.02090 1.000 16.76145 ? 57  ILE B C    1 
ATOM   2641 O  O    . ILE B 1 61  ? -5.75613  -11.31714 49.47414 1.000 18.34969 ? 57  ILE B O    1 
ATOM   2642 C  CB   . ILE B 1 61  ? -7.20267  -8.23773  49.48281 1.000 19.88029 ? 57  ILE B CB   1 
ATOM   2643 C  CG1  . ILE B 1 61  ? -6.83700  -8.40720  47.99378 1.000 20.13699 ? 57  ILE B CG1  1 
ATOM   2644 C  CG2  . ILE B 1 61  ? -6.99555  -6.79377  49.94970 1.000 19.11436 ? 57  ILE B CG2  1 
ATOM   2645 C  CD1  . ILE B 1 61  ? -7.64820  -9.45169  47.25780 1.000 17.65595 ? 57  ILE B CD1  1 
ATOM   2646 H  H    . ILE B 1 61  ? -4.72934  -8.58990  49.52483 1.000 18.69560 ? 57  ILE B H    1 
ATOM   2647 H  HA   . ILE B 1 61  ? -6.68961  -9.06889  51.30005 1.000 20.31367 ? 57  ILE B HA   1 
ATOM   2648 H  HB   . ILE B 1 61  ? -8.14213  -8.46543  49.56316 1.000 23.87991 ? 57  ILE B HB   1 
ATOM   2649 H  HG12 . ILE B 1 61  ? -6.97604  -7.55917  47.54387 1.000 24.18795 ? 57  ILE B HG12 1 
ATOM   2650 H  HG13 . ILE B 1 61  ? -5.90412  -8.66593  47.93308 1.000 24.18795 ? 57  ILE B HG13 1 
ATOM   2651 H  HG21 . ILE B 1 61  ? -7.53598  -6.20391  49.40116 1.000 22.96080 ? 57  ILE B HG21 1 
ATOM   2652 H  HG22 . ILE B 1 61  ? -7.26484  -6.72054  50.87868 1.000 22.96080 ? 57  ILE B HG22 1 
ATOM   2653 H  HG23 . ILE B 1 61  ? -6.05770  -6.56368  49.85804 1.000 22.96080 ? 57  ILE B HG23 1 
ATOM   2654 H  HD11 . ILE B 1 61  ? -7.55382  -9.30973  46.30289 1.000 21.21071 ? 57  ILE B HD11 1 
ATOM   2655 H  HD12 . ILE B 1 61  ? -7.31879  -10.33256 47.49542 1.000 21.21071 ? 57  ILE B HD12 1 
ATOM   2656 H  HD13 . ILE B 1 61  ? -8.57977  -9.36659  47.51438 1.000 21.21071 ? 57  ILE B HD13 1 
ATOM   2657 N  N    . THR B 1 62  ? -7.82803  -11.13990 50.31977 1.000 16.03711 ? 58  THR B N    1 
ATOM   2658 C  CA   . THR B 1 62  ? -8.26653  -12.47775 49.95202 1.000 16.31139 ? 58  THR B CA   1 
ATOM   2659 C  C    . THR B 1 62  ? -9.16905  -12.38739 48.72526 1.000 17.94562 ? 58  THR B C    1 
ATOM   2660 O  O    . THR B 1 62  ? -10.10010 -11.57276 48.68091 1.000 15.47089 ? 58  THR B O    1 
ATOM   2661 C  CB   . THR B 1 62  ? -9.04093  -13.08462 51.12183 1.000 19.22656 ? 58  THR B CB   1 
ATOM   2662 O  OG1  . THR B 1 62  ? -8.13743  -13.25446 52.21354 1.000 19.54047 ? 58  THR B OG1  1 
ATOM   2663 C  CG2  . THR B 1 62  ? -9.66307  -14.43398 50.74188 1.000 18.97017 ? 58  THR B CG2  1 
ATOM   2664 H  H    . THR B 1 62  ? -8.42543  -10.69849 50.75321 1.000 19.26810 ? 58  THR B H    1 
ATOM   2665 H  HA   . THR B 1 62  ? -7.50879  -13.04237 49.73309 1.000 19.59724 ? 58  THR B HA   1 
ATOM   2666 H  HB   . THR B 1 62  ? -9.77119  -12.49928 51.37680 1.000 23.09544 ? 58  THR B HB   1 
ATOM   2667 H  HG1  . THR B 1 62  ? -8.49590  -13.72075 52.81327 1.000 23.47214 ? 58  THR B HG1  1 
ATOM   2668 H  HG21 . THR B 1 62  ? -9.96301  -14.89736 51.53951 1.000 22.78777 ? 58  THR B HG21 1 
ATOM   2669 H  HG22 . THR B 1 62  ? -10.42213 -14.29556 50.15403 1.000 22.78777 ? 58  THR B HG22 1 
ATOM   2670 H  HG23 . THR B 1 62  ? -9.00780  -14.98468 50.28553 1.000 22.78777 ? 58  THR B HG23 1 
ATOM   2671 N  N    . TRP B 1 63  ? -8.87035  -13.18750 47.71040 1.000 15.72113 ? 59  TRP B N    1 
ATOM   2672 C  CA   . TRP B 1 63  ? -9.67685  -13.16555 46.50271 1.000 15.69499 ? 59  TRP B CA   1 
ATOM   2673 C  C    . TRP B 1 63  ? -11.01887 -13.85394 46.73455 1.000 15.10766 ? 59  TRP B C    1 
ATOM   2674 O  O    . TRP B 1 63  ? -11.07701 -14.95651 47.28291 1.000 17.09105 ? 59  TRP B O    1 
ATOM   2675 C  CB   . TRP B 1 63  ? -8.93074  -13.86177 45.37400 1.000 16.56463 ? 59  TRP B CB   1 
ATOM   2676 C  CG   . TRP B 1 63  ? -7.79582  -13.07395 44.82485 1.000 14.93647 ? 59  TRP B CG   1 
ATOM   2677 C  CD1  . TRP B 1 63  ? -6.50128  -13.47998 44.73240 1.000 14.15400 ? 59  TRP B CD1  1 
ATOM   2678 C  CD2  . TRP B 1 63  ? -7.84075  -11.74898 44.28104 1.000 13.95558 ? 59  TRP B CD2  1 
ATOM   2679 N  NE1  . TRP B 1 63  ? -5.73500  -12.50293 44.16659 1.000 12.86529 ? 59  TRP B NE1  1 
ATOM   2680 C  CE2  . TRP B 1 63  ? -6.53298  -11.42754 43.87086 1.000 13.38172 ? 59  TRP B CE2  1 
ATOM   2681 C  CE3  . TRP B 1 63  ? -8.86076  -10.80300 44.09806 1.000 13.50758 ? 59  TRP B CE3  1 
ATOM   2682 C  CZ2  . TRP B 1 63  ? -6.20874  -10.20330 43.29468 1.000 15.40216 ? 59  TRP B CZ2  1 
ATOM   2683 C  CZ3  . TRP B 1 63  ? -8.53815  -9.59038  43.49447 1.000 14.53542 ? 59  TRP B CZ3  1 
ATOM   2684 C  CH2  . TRP B 1 63  ? -7.22444  -9.29408  43.12949 1.000 13.21984 ? 59  TRP B CH2  1 
ATOM   2685 H  H    . TRP B 1 63  ? -8.21514  -13.74437 47.69635 1.000 18.88892 ? 59  TRP B H    1 
ATOM   2686 H  HA   . TRP B 1 63  ? -9.84825  -12.24454 46.25119 1.000 18.85755 ? 59  TRP B HA   1 
ATOM   2687 H  HB2  . TRP B 1 63  ? -8.57427  -14.70011 45.70719 1.000 19.90112 ? 59  TRP B HB2  1 
ATOM   2688 H  HB3  . TRP B 1 63  ? -9.55161  -14.03043 44.64806 1.000 19.90112 ? 59  TRP B HB3  1 
ATOM   2689 H  HD1  . TRP B 1 63  ? -6.18310  -14.30692 45.01494 1.000 17.00836 ? 59  TRP B HD1  1 
ATOM   2690 H  HE1  . TRP B 1 63  ? -4.88919  -12.55332 44.01938 1.000 15.46191 ? 59  TRP B HE1  1 
ATOM   2691 H  HE3  . TRP B 1 63  ? -9.73101  -10.98155 44.37319 1.000 16.23267 ? 59  TRP B HE3  1 
ATOM   2692 H  HZ2  . TRP B 1 63  ? -5.33823  -10.00841 43.03174 1.000 18.50616 ? 59  TRP B HZ2  1 
ATOM   2693 H  HZ3  . TRP B 1 63  ? -9.20945  -8.96762  43.33190 1.000 17.46607 ? 59  TRP B HZ3  1 
ATOM   2694 H  HH2  . TRP B 1 63  ? -7.03197  -8.46026  42.76536 1.000 15.88737 ? 59  TRP B HH2  1 
ATOM   2695 N  N    . ASN B 1 64  ? -12.09951 -13.19424 46.31424 1.000 15.96861 ? 60  ASN B N    1 
ATOM   2696 C  CA   . ASN B 1 64  ? -13.43674 -13.79718 46.24930 1.000 17.38741 ? 60  ASN B CA   1 
ATOM   2697 C  C    . ASN B 1 64  ? -14.31005 -12.94602 45.33184 1.000 16.78597 ? 60  ASN B C    1 
ATOM   2698 O  O    . ASN B 1 64  ? -13.80445 -12.07800 44.61963 1.000 14.77511 ? 60  ASN B O    1 
ATOM   2699 C  CB   . ASN B 1 64  ? -14.02572 -13.96042 47.65377 1.000 13.45272 ? 60  ASN B CB   1 
ATOM   2700 C  CG   . ASN B 1 64  ? -14.29856 -12.63297 48.34924 1.000 16.82901 ? 60  ASN B CG   1 
ATOM   2701 O  OD1  . ASN B 1 64  ? -14.30453 -11.57694 47.72583 1.000 17.45282 ? 60  ASN B OD1  1 
ATOM   2702 N  ND2  . ASN B 1 64  ? -14.56593 -12.69297 49.64975 1.000 19.57133 ? 60  ASN B ND2  1 
ATOM   2703 H  H    . ASN B 1 64  ? -12.08477 -12.37462 46.05423 1.000 19.18590 ? 60  ASN B H    1 
ATOM   2704 H  HA   . ASN B 1 64  ? -13.36542 -14.67753 45.84832 1.000 20.88845 ? 60  ASN B HA   1 
ATOM   2705 H  HB2  . ASN B 1 64  ? -14.86598 -14.44060 47.58828 1.000 16.16683 ? 60  ASN B HB2  1 
ATOM   2706 H  HB3  . ASN B 1 64  ? -13.39977 -14.46019 48.20087 1.000 16.16683 ? 60  ASN B HB3  1 
ATOM   2707 H  HD21 . ASN B 1 64  ? -14.72714 -11.97159 50.08933 1.000 23.50916 ? 60  ASN B HD21 1 
ATOM   2708 H  HD22 . ASN B 1 64  ? -14.57773 -13.45316 50.05170 1.000 23.50916 ? 60  ASN B HD22 1 
ATOM   2709 N  N    . GLU B 1 65  ? -15.62435 -13.19009 45.34111 1.000 13.54539 ? 61  GLU B N    1 
ATOM   2710 C  CA   . GLU B 1 65  ? -16.53424 -12.45090 44.46573 1.000 12.67666 ? 61  GLU B CA   1 
ATOM   2711 C  C    . GLU B 1 65  ? -16.36172 -10.94696 44.60359 1.000 13.53659 ? 61  GLU B C    1 
ATOM   2712 O  O    . GLU B 1 65  ? -16.35770 -10.21426 43.60358 1.000 14.09661 ? 61  GLU B O    1 
ATOM   2713 C  CB   . GLU B 1 65  ? -17.98521 -12.85673 44.73514 1.000 18.85220 ? 61  GLU B CB   1 
ATOM   2714 C  CG   . GLU B 1 65  ? -18.30352 -14.30342 44.37764 1.000 21.16189 ? 61  GLU B CG   1 
ATOM   2715 C  CD   . GLU B 1 65  ? -18.18868 -15.28753 45.55533 1.000 28.40748 ? 61  GLU B CD   1 
ATOM   2716 O  OE1  . GLU B 1 65  ? -17.28759 -15.14746 46.43380 1.000 20.05884 ? 61  GLU B OE1  1 
ATOM   2717 O  OE2  . GLU B 1 65  ? -19.01546 -16.23362 45.58475 1.000 29.26753 ? 61  GLU B OE2  1 
ATOM   2718 H  H    . GLU B 1 65  ? -16.01247 -13.77320 45.84005 1.000 16.27803 ? 61  GLU B H    1 
ATOM   2719 H  HA   . GLU B 1 65  ? -16.32614 -12.68601 43.54795 1.000 15.23556 ? 61  GLU B HA   1 
ATOM   2720 H  HB2  . GLU B 1 65  ? -18.17009 -12.73921 45.68008 1.000 22.64621 ? 61  GLU B HB2  1 
ATOM   2721 H  HB3  . GLU B 1 65  ? -18.56933 -12.28798 44.20957 1.000 22.64621 ? 61  GLU B HB3  1 
ATOM   2722 H  HG2  . GLU B 1 65  ? -19.21406 -14.34774 44.04619 1.000 25.41783 ? 61  GLU B HG2  1 
ATOM   2723 H  HG3  . GLU B 1 65  ? -17.68543 -14.59598 43.68969 1.000 25.41783 ? 61  GLU B HG3  1 
ATOM   2724 N  N    . ASP B 1 66  ? -16.26182 -10.46436 45.84583 1.000 15.90874 ? 62  ASP B N    1 
ATOM   2725 C  CA   . ASP B 1 66  ? -16.26828 -9.03207  46.10647 1.000 16.27010 ? 62  ASP B CA   1 
ATOM   2726 C  C    . ASP B 1 66  ? -14.98688 -8.37429  45.61728 1.000 16.51313 ? 62  ASP B C    1 
ATOM   2727 O  O    . ASP B 1 66  ? -15.02447 -7.31338  44.99121 1.000 14.43881 ? 62  ASP B O    1 
ATOM   2728 C  CB   . ASP B 1 66  ? -16.41214 -8.79558  47.61299 1.000 13.30438 ? 62  ASP B CB   1 
ATOM   2729 C  CG   . ASP B 1 66  ? -17.78387 -9.12501  48.14880 1.000 22.79749 ? 62  ASP B CG   1 
ATOM   2730 O  OD1  . ASP B 1 66  ? -18.77677 -8.91369  47.42939 1.000 22.45096 ? 62  ASP B OD1  1 
ATOM   2731 O  OD2  . ASP B 1 66  ? -17.84585 -9.55285  49.32843 1.000 22.40973 ? 62  ASP B OD2  1 
ATOM   2732 H  H    . ASP B 1 66  ? -16.18927 -10.94701 46.55391 1.000 19.11406 ? 62  ASP B H    1 
ATOM   2733 H  HA   . ASP B 1 66  ? -17.01897 -8.63407  45.63853 1.000 19.54768 ? 62  ASP B HA   1 
ATOM   2734 H  HB2  . ASP B 1 66  ? -15.77007 -9.35305  48.07977 1.000 15.98882 ? 62  ASP B HB2  1 
ATOM   2735 H  HB3  . ASP B 1 66  ? -16.23760 -7.86007  47.80076 1.000 15.98882 ? 62  ASP B HB3  1 
ATOM   2736 N  N    . THR B 1 67  ? -13.83532 -8.95810  45.94783 1.000 12.90067 ? 63  THR B N    1 
ATOM   2737 C  CA   . THR B 1 67  ? -12.56220 -8.33628  45.59528 1.000 12.98133 ? 63  THR B CA   1 
ATOM   2738 C  C    . THR B 1 67  ? -12.25315 -8.52208  44.11983 1.000 12.78762 ? 63  THR B C    1 
ATOM   2739 O  O    . THR B 1 67  ? -11.69222 -7.61974  43.48242 1.000 14.56206 ? 63  THR B O    1 
ATOM   2740 C  CB   . THR B 1 67  ? -11.43747 -8.90221  46.46088 1.000 13.98025 ? 63  THR B CB   1 
ATOM   2741 O  OG1  . THR B 1 67  ? -11.44645 -10.32896 46.42103 1.000 13.60530 ? 63  THR B OG1  1 
ATOM   2742 C  CG2  . THR B 1 67  ? -11.57169 -8.41304  47.90444 1.000 15.44680 ? 63  THR B CG2  1 
ATOM   2743 H  H    . THR B 1 67  ? -13.76335 -9.70374  46.37027 1.000 15.36297 ? 63  THR B H    1 
ATOM   2744 H  HA   . THR B 1 67  ? -12.61471 -7.38452  45.77498 1.000 15.60117 ? 63  THR B HA   1 
ATOM   2745 H  HB   . THR B 1 67  ? -10.58476 -8.59344  46.11669 1.000 16.79986 ? 63  THR B HB   1 
ATOM   2746 H  HG1  . THR B 1 67  ? -12.15434 -10.62155 46.76582 1.000 16.34992 ? 63  THR B HG1  1 
ATOM   2747 H  HG21 . THR B 1 67  ? -10.83040 -8.74210  48.43651 1.000 18.55972 ? 63  THR B HG21 1 
ATOM   2748 H  HG22 . THR B 1 67  ? -11.56983 -7.44332  47.92765 1.000 18.55972 ? 63  THR B HG22 1 
ATOM   2749 H  HG23 . THR B 1 67  ? -12.40216 -8.73552  48.28814 1.000 18.55972 ? 63  THR B HG23 1 
ATOM   2750 N  N    . LEU B 1 68  ? -12.61181 -9.67270  43.55673 1.000 13.93862 ? 64  LEU B N    1 
ATOM   2751 C  CA   . LEU B 1 68  ? -12.51281 -9.83614  42.11233 1.000 14.12984 ? 64  LEU B CA   1 
ATOM   2752 C  C    . LEU B 1 68  ? -13.37706 -8.81429  41.37567 1.000 17.02167 ? 64  LEU B C    1 
ATOM   2753 O  O    . LEU B 1 68  ? -12.95945 -8.27135  40.34345 1.000 15.46389 ? 64  LEU B O    1 
ATOM   2754 C  CB   . LEU B 1 68  ? -12.91876 -11.25381 41.70967 1.000 15.55291 ? 64  LEU B CB   1 
ATOM   2755 C  CG   . LEU B 1 68  ? -11.90213 -12.33883 42.04884 1.000 14.78191 ? 64  LEU B CG   1 
ATOM   2756 C  CD1  . LEU B 1 68  ? -12.52637 -13.68184 41.80760 1.000 13.53660 ? 64  LEU B CD1  1 
ATOM   2757 C  CD2  . LEU B 1 68  ? -10.67126 -12.17639 41.17303 1.000 14.66492 ? 64  LEU B CD2  1 
ATOM   2758 H  H    . LEU B 1 68  ? -12.90961 -10.36078 43.97799 1.000 16.74991 ? 64  LEU B H    1 
ATOM   2759 H  HA   . LEU B 1 68  ? -11.58849 -9.69885  41.85219 1.000 16.97937 ? 64  LEU B HA   1 
ATOM   2760 H  HB2  . LEU B 1 68  ? -13.74531 -11.47656 42.16585 1.000 18.68706 ? 64  LEU B HB2  1 
ATOM   2761 H  HB3  . LEU B 1 68  ? -13.05450 -11.27206 40.74939 1.000 18.68706 ? 64  LEU B HB3  1 
ATOM   2762 H  HG   . LEU B 1 68  ? -11.63228 -12.27176 42.97813 1.000 17.76185 ? 64  LEU B HG   1 
ATOM   2763 H  HD11 . LEU B 1 68  ? -11.83174 -14.35884 41.81479 1.000 16.26748 ? 64  LEU B HD11 1 
ATOM   2764 H  HD12 . LEU B 1 68  ? -13.17059 -13.86145 42.51019 1.000 16.26748 ? 64  LEU B HD12 1 
ATOM   2765 H  HD13 . LEU B 1 68  ? -12.97093 -13.67320 40.94551 1.000 16.26748 ? 64  LEU B HD13 1 
ATOM   2766 H  HD21 . LEU B 1 68  ? -10.11096 -12.96263 41.26680 1.000 17.62147 ? 64  LEU B HD21 1 
ATOM   2767 H  HD22 . LEU B 1 68  ? -10.95147 -12.07812 40.24960 1.000 17.62147 ? 64  LEU B HD22 1 
ATOM   2768 H  HD23 . LEU B 1 68  ? -10.18384 -11.38713 41.45657 1.000 17.62147 ? 64  LEU B HD23 1 
ATOM   2769 N  N    . PHE B 1 69  ? -14.60746 -8.58358  41.84848 1.000 13.50365 ? 65  PHE B N    1 
ATOM   2770 C  CA   . PHE B 1 69  ? -15.50430 -7.65934  41.15440 1.000 13.52266 ? 65  PHE B CA   1 
ATOM   2771 C  C    . PHE B 1 69  ? -14.88321 -6.27047  41.08293 1.000 14.91788 ? 65  PHE B C    1 
ATOM   2772 O  O    . PHE B 1 69  ? -14.99875 -5.57428  40.06614 1.000 17.10486 ? 65  PHE B O    1 
ATOM   2773 C  CB   . PHE B 1 69  ? -16.86622 -7.63440  41.86937 1.000 14.71385 ? 65  PHE B CB   1 
ATOM   2774 C  CG   . PHE B 1 69  ? -17.97328 -6.82564  41.16918 1.000 14.67043 ? 65  PHE B CG   1 
ATOM   2775 C  CD1  . PHE B 1 69  ? -18.64141 -7.33199  40.06590 1.000 14.10887 ? 65  PHE B CD1  1 
ATOM   2776 C  CD2  . PHE B 1 69  ? -18.41669 -5.62991  41.70181 1.000 18.66134 ? 65  PHE B CD2  1 
ATOM   2777 C  CE1  . PHE B 1 69  ? -19.67616 -6.62435  39.45388 1.000 15.24485 ? 65  PHE B CE1  1 
ATOM   2778 C  CE2  . PHE B 1 69  ? -19.43135 -4.91404  41.08045 1.000 18.71000 ? 65  PHE B CE2  1 
ATOM   2779 C  CZ   . PHE B 1 69  ? -20.06442 -5.41530  39.96540 1.000 18.32193 ? 65  PHE B CZ   1 
ATOM   2780 H  H    . PHE B 1 69  ? -14.94143 -8.94204  42.55529 1.000 16.22795 ? 65  PHE B H    1 
ATOM   2781 H  HA   . PHE B 1 69  ? -15.65759 -7.96107  40.24536 1.000 16.10936 ? 65  PHE B HA   1 
ATOM   2782 H  HB2  . PHE B 1 69  ? -17.18420 -8.54722  41.95026 1.000 17.68019 ? 65  PHE B HB2  1 
ATOM   2783 H  HB3  . PHE B 1 69  ? -16.74056 -7.24759  42.74998 1.000 17.68019 ? 65  PHE B HB3  1 
ATOM   2784 H  HD1  . PHE B 1 69  ? -18.39460 -8.16172  39.72600 1.000 16.84254 ? 65  PHE B HD1  1 
ATOM   2785 H  HD2  . PHE B 1 69  ? -18.03240 -5.30211  42.48268 1.000 22.41718 ? 65  PHE B HD2  1 
ATOM   2786 H  HE1  . PHE B 1 69  ? -20.09989 -6.97200  38.70255 1.000 18.31739 ? 65  PHE B HE1  1 
ATOM   2787 H  HE2  . PHE B 1 69  ? -19.68602 -4.08704  41.42119 1.000 22.47557 ? 65  PHE B HE2  1 
ATOM   2788 H  HZ   . PHE B 1 69  ? -20.75155 -4.93556  39.56216 1.000 22.00988 ? 65  PHE B HZ   1 
ATOM   2789 N  N    . GLU B 1 70  ? -14.18334 -5.86326  42.13986 1.000 15.69182 ? 66  GLU B N    1 
ATOM   2790 C  CA   . GLU B 1 70  ? -13.54737 -4.55770  42.14454 1.000 14.01565 ? 66  GLU B CA   1 
ATOM   2791 C  C    . GLU B 1 70  ? -12.26416 -4.56701  41.32256 1.000 16.93016 ? 66  GLU B C    1 
ATOM   2792 O  O    . GLU B 1 70  ? -12.03020 -3.66899  40.50625 1.000 16.05679 ? 66  GLU B O    1 
ATOM   2793 C  CB   . GLU B 1 70  ? -13.25966 -4.13388  43.58482 1.000 17.06686 ? 66  GLU B CB   1 
ATOM   2794 C  CG   . GLU B 1 70  ? -12.51418 -2.82997  43.67395 1.000 17.54438 ? 66  GLU B CG   1 
ATOM   2795 C  CD   . GLU B 1 70  ? -12.36492 -2.32474  45.07716 1.000 27.22214 ? 66  GLU B CD   1 
ATOM   2796 O  OE1  . GLU B 1 70  ? -12.95020 -2.94298  45.98708 1.000 22.58639 ? 66  GLU B OE1  1 
ATOM   2797 O  OE2  . GLU B 1 70  ? -11.66322 -1.30619  45.26047 1.000 20.68510 ? 66  GLU B OE2  1 
ATOM   2798 H  H    . GLU B 1 70  ? -14.06410 -6.32079  42.85822 1.000 18.85375 ? 66  GLU B H    1 
ATOM   2799 H  HA   . GLU B 1 70  ? -14.14981 -3.90777  41.75013 1.000 16.84235 ? 66  GLU B HA   1 
ATOM   2800 H  HB2  . GLU B 1 70  ? -14.10073 -4.03116  44.05700 1.000 20.50380 ? 66  GLU B HB2  1 
ATOM   2801 H  HB3  . GLU B 1 70  ? -12.72037 -4.81731  44.01259 1.000 20.50380 ? 66  GLU B HB3  1 
ATOM   2802 H  HG2  . GLU B 1 70  ? -11.62511 -2.95113  43.30547 1.000 21.07683 ? 66  GLU B HG2  1 
ATOM   2803 H  HG3  . GLU B 1 70  ? -12.99522 -2.15825  43.16573 1.000 21.07683 ? 66  GLU B HG3  1 
ATOM   2804 N  N    . TYR B 1 71  ? -11.42083 -5.57377  41.53693 1.000 15.06950 ? 67  TYR B N    1 
ATOM   2805 C  CA   . TYR B 1 71  ? -10.17524 -5.70717  40.78063 1.000 13.56157 ? 67  TYR B CA   1 
ATOM   2806 C  C    . TYR B 1 71  ? -10.41371 -5.68964  39.28959 1.000 16.20937 ? 67  TYR B C    1 
ATOM   2807 O  O    . TYR B 1 71  ? -9.72718  -4.98024  38.54968 1.000 16.22261 ? 67  TYR B O    1 
ATOM   2808 C  CB   . TYR B 1 71  ? -9.52195  -7.03751  41.12606 1.000 14.60399 ? 67  TYR B CB   1 
ATOM   2809 C  CG   . TYR B 1 71  ? -8.23596  -7.36335  40.40696 1.000 14.38519 ? 67  TYR B CG   1 
ATOM   2810 C  CD1  . TYR B 1 71  ? -7.14292  -6.50309  40.47346 1.000 13.20195 ? 67  TYR B CD1  1 
ATOM   2811 C  CD2  . TYR B 1 71  ? -8.08711  -8.56074  39.71655 1.000 14.64223 ? 67  TYR B CD2  1 
ATOM   2812 C  CE1  . TYR B 1 71  ? -5.94733  -6.82563  39.86891 1.000 13.35883 ? 67  TYR B CE1  1 
ATOM   2813 C  CE2  . TYR B 1 71  ? -6.89272  -8.87945  39.09241 1.000 13.43472 ? 67  TYR B CE2  1 
ATOM   2814 C  CZ   . TYR B 1 71  ? -5.83699  -8.00941  39.18024 1.000 13.69238 ? 67  TYR B CZ   1 
ATOM   2815 O  OH   . TYR B 1 71  ? -4.64315  -8.29256  38.60006 1.000 15.92214 ? 67  TYR B OH   1 
ATOM   2816 H  H    . TYR B 1 71  ? -11.54313 -6.19765  42.11608 1.000 18.10697 ? 67  TYR B H    1 
ATOM   2817 H  HA   . TYR B 1 71  ? -9.60095  -4.96368  41.02212 1.000 16.29744 ? 67  TYR B HA   1 
ATOM   2818 H  HB2  . TYR B 1 71  ? -9.32463  -7.03845  42.07578 1.000 17.54836 ? 67  TYR B HB2  1 
ATOM   2819 H  HB3  . TYR B 1 71  ? -10.15152 -7.74531  40.91733 1.000 17.54836 ? 67  TYR B HB3  1 
ATOM   2820 H  HD1  . TYR B 1 71  ? -7.22105  -5.69835  40.93303 1.000 15.86590 ? 67  TYR B HD1  1 
ATOM   2821 H  HD2  . TYR B 1 71  ? -8.80000  -9.15638  39.67319 1.000 17.59425 ? 67  TYR B HD2  1 
ATOM   2822 H  HE1  . TYR B 1 71  ? -5.22147  -6.24709  39.92655 1.000 16.05416 ? 67  TYR B HE1  1 
ATOM   2823 H  HE2  . TYR B 1 71  ? -6.80772  -9.67525  38.61872 1.000 16.14523 ? 67  TYR B HE2  1 
ATOM   2824 H  HH   . TYR B 1 71  ? -4.65678  -9.06851  38.27864 1.000 19.13014 ? 67  TYR B HH   1 
ATOM   2825 N  N    . LEU B 1 72  ? -11.34564 -6.52100  38.81828 1.000 15.14248 ? 68  LEU B N    1 
ATOM   2826 C  CA   . LEU B 1 72  ? -11.46404 -6.71806  37.38220 1.000 15.15539 ? 68  LEU B CA   1 
ATOM   2827 C  C    . LEU B 1 72  ? -12.05076 -5.50611  36.68444 1.000 16.50859 ? 68  LEU B C    1 
ATOM   2828 O  O    . LEU B 1 72  ? -11.92853 -5.40541  35.46497 1.000 16.52578 ? 68  LEU B O    1 
ATOM   2829 C  CB   . LEU B 1 72  ? -12.26971 -7.96756  37.08204 1.000 15.66972 ? 68  LEU B CB   1 
ATOM   2830 C  CG   . LEU B 1 72  ? -11.61513 -9.25785  37.55556 1.000 16.15779 ? 68  LEU B CG   1 
ATOM   2831 C  CD1  . LEU B 1 72  ? -12.59241 -10.43726 37.45263 1.000 13.33717 ? 68  LEU B CD1  1 
ATOM   2832 C  CD2  . LEU B 1 72  ? -10.31192 -9.53316  36.78013 1.000 12.58191 ? 68  LEU B CD2  1 
ATOM   2833 H  H    . LEU B 1 72  ? -11.90327 -6.96790  39.29675 1.000 18.19454 ? 68  LEU B H    1 
ATOM   2834 H  HA   . LEU B 1 72  ? -10.57973 -6.86215  37.01053 1.000 18.21003 ? 68  LEU B HA   1 
ATOM   2835 H  HB2  . LEU B 1 72  ? -13.13079 -7.89426  37.52258 1.000 18.82723 ? 68  LEU B HB2  1 
ATOM   2836 H  HB3  . LEU B 1 72  ? -12.39271 -8.03376  36.12215 1.000 18.82723 ? 68  LEU B HB3  1 
ATOM   2837 H  HG   . LEU B 1 72  ? -11.37673 -9.16193  38.49091 1.000 19.41291 ? 68  LEU B HG   1 
ATOM   2838 H  HD11 . LEU B 1 72  ? -12.16179 -11.23521 37.79719 1.000 16.02817 ? 68  LEU B HD11 1 
ATOM   2839 H  HD12 . LEU B 1 72  ? -13.38488 -10.23725 37.97502 1.000 16.02817 ? 68  LEU B HD12 1 
ATOM   2840 H  HD13 . LEU B 1 72  ? -12.83369 -10.56717 36.52214 1.000 16.02817 ? 68  LEU B HD13 1 
ATOM   2841 H  HD21 . LEU B 1 72  ? -9.89285  -10.33057 37.13987 1.000 15.12185 ? 68  LEU B HD21 1 
ATOM   2842 H  HD22 . LEU B 1 72  ? -10.52401 -9.66508  35.84284 1.000 15.12185 ? 68  LEU B HD22 1 
ATOM   2843 H  HD23 . LEU B 1 72  ? -9.71783  -8.77304  36.88104 1.000 15.12185 ? 68  LEU B HD23 1 
ATOM   2844 N  N    . GLU B 1 73  ? -12.67774 -4.58308  37.42440 1.000 16.57375 ? 69  GLU B N    1 
ATOM   2845 C  CA   . GLU B 1 73  ? -13.11793 -3.32423  36.81912 1.000 19.92594 ? 69  GLU B CA   1 
ATOM   2846 C  C    . GLU B 1 73  ? -11.93361 -2.47028  36.38588 1.000 21.13942 ? 69  GLU B C    1 
ATOM   2847 O  O    . GLU B 1 73  ? -12.01064 -1.76224  35.37789 1.000 18.18207 ? 69  GLU B O    1 
ATOM   2848 C  CB   . GLU B 1 73  ? -14.00143 -2.55745  37.80630 1.000 17.34274 ? 69  GLU B CB   1 
ATOM   2849 C  CG   . GLU B 1 73  ? -14.94622 -1.56290  37.15550 1.000 19.30681 ? 69  GLU B CG   1 
ATOM   2850 C  CD   . GLU B 1 73  ? -14.30590 -0.22152  36.85896 1.000 41.18848 ? 69  GLU B CD   1 
ATOM   2851 O  OE1  . GLU B 1 73  ? -13.40041 0.17858   37.61072 1.000 29.06779 ? 69  GLU B OE1  1 
ATOM   2852 O  OE2  . GLU B 1 73  ? -14.71827 0.44227   35.87668 1.000 49.39757 ? 69  GLU B OE2  1 
ATOM   2853 H  H    . GLU B 1 73  ? -12.85727 -4.65861  38.26205 1.000 19.91207 ? 69  GLU B H    1 
ATOM   2854 H  HA   . GLU B 1 73  ? -13.64806 -3.51811  36.03028 1.000 23.93470 ? 69  GLU B HA   1 
ATOM   2855 H  HB2  . GLU B 1 73  ? -14.54037 -3.19529  38.29985 1.000 20.83485 ? 69  GLU B HB2  1 
ATOM   2856 H  HB3  . GLU B 1 73  ? -13.42976 -2.06455  38.41552 1.000 20.83485 ? 69  GLU B HB3  1 
ATOM   2857 H  HG2  . GLU B 1 73  ? -15.26038 -1.93330  36.31585 1.000 23.19174 ? 69  GLU B HG2  1 
ATOM   2858 H  HG3  . GLU B 1 73  ? -15.69607 -1.40805  37.75102 1.000 23.19174 ? 69  GLU B HG3  1 
ATOM   2859 N  N    . ASN B 1 74  ? -10.82151 -2.55393  37.09130 1.000 15.67940 ? 70  ASN B N    1 
ATOM   2860 C  CA   . ASN B 1 74  ? -9.66088  -1.71235  36.82602 1.000 14.22136 ? 70  ASN B CA   1 
ATOM   2861 C  C    . ASN B 1 74  ? -8.48394  -2.26238  37.62478 1.000 16.54863 ? 70  ASN B C    1 
ATOM   2862 O  O    . ASN B 1 74  ? -8.24330  -1.83356  38.76790 1.000 17.73935 ? 70  ASN B O    1 
ATOM   2863 C  CB   . ASN B 1 74  ? -9.94539  -0.27524  37.25218 1.000 17.57053 ? 70  ASN B CB   1 
ATOM   2864 C  CG   . ASN B 1 74  ? -8.84215  0.69455   36.86048 1.000 20.58801 ? 70  ASN B CG   1 
ATOM   2865 O  OD1  . ASN B 1 74  ? -7.68568  0.33021   36.71892 1.000 22.56128 ? 70  ASN B OD1  1 
ATOM   2866 N  ND2  . ASN B 1 74  ? -9.21275  1.94510   36.68852 1.000 29.12963 ? 70  ASN B ND2  1 
ATOM   2867 H  H    . ASN B 1 74  ? -10.70694 -3.10120  37.74473 1.000 18.83885 ? 70  ASN B H    1 
ATOM   2868 H  HA   . ASN B 1 74  ? -9.44734  -1.71464  35.87982 1.000 17.08919 ? 70  ASN B HA   1 
ATOM   2869 H  HB2  . ASN B 1 74  ? -10.76677 0.02125   36.82989 1.000 21.10820 ? 70  ASN B HB2  1 
ATOM   2870 H  HB3  . ASN B 1 74  ? -10.03921 -0.24610  38.21719 1.000 21.10820 ? 70  ASN B HB3  1 
ATOM   2871 H  HD21 . ASN B 1 74  ? -8.63186  2.53904   36.46624 1.000 34.97912 ? 70  ASN B HD21 1 
ATOM   2872 H  HD22 . ASN B 1 74  ? -10.03588 2.16863   36.79839 1.000 34.97912 ? 70  ASN B HD22 1 
ATOM   2873 N  N    . PRO B 1 75  ? -7.75729  -3.23490  37.08040 1.000 13.49758 ? 71  PRO B N    1 
ATOM   2874 C  CA   . PRO B 1 75  ? -6.71375  -3.90955  37.86606 1.000 15.82713 ? 71  PRO B CA   1 
ATOM   2875 C  C    . PRO B 1 75  ? -5.64501  -2.97986  38.41493 1.000 18.62636 ? 71  PRO B C    1 
ATOM   2876 O  O    . PRO B 1 75  ? -5.30267  -3.08551  39.60821 1.000 16.99376 ? 71  PRO B O    1 
ATOM   2877 C  CB   . PRO B 1 75  ? -6.17181  -4.96003  36.88068 1.000 15.48693 ? 71  PRO B CB   1 
ATOM   2878 C  CG   . PRO B 1 75  ? -7.34934  -5.24641  35.99440 1.000 13.13135 ? 71  PRO B CG   1 
ATOM   2879 C  CD   . PRO B 1 75  ? -8.06978  -3.95289  35.83384 1.000 16.02790 ? 71  PRO B CD   1 
ATOM   2880 H  HA   . PRO B 1 75  ? -7.11364  -4.36961  38.62061 1.000 19.01613 ? 71  PRO B HA   1 
ATOM   2881 H  HB2  . PRO B 1 75  ? -5.42946  -4.59495  36.37418 1.000 18.60788 ? 71  PRO B HB2  1 
ATOM   2882 H  HB3  . PRO B 1 75  ? -5.88824  -5.75506  37.35860 1.000 18.60788 ? 71  PRO B HB3  1 
ATOM   2883 H  HG2  . PRO B 1 75  ? -7.03920  -5.57469  35.13594 1.000 15.78118 ? 71  PRO B HG2  1 
ATOM   2884 H  HG3  . PRO B 1 75  ? -7.92127  -5.90717  36.41532 1.000 15.78118 ? 71  PRO B HG3  1 
ATOM   2885 H  HD2  . PRO B 1 75  ? -7.73839  -3.46645  35.06282 1.000 19.25705 ? 71  PRO B HD2  1 
ATOM   2886 H  HD3  . PRO B 1 75  ? -9.02512  -4.09793  35.74909 1.000 19.25705 ? 71  PRO B HD3  1 
ATOM   2887 N  N    . LYS B 1 76  ? -5.13847  -2.04092  37.61344 1.000 18.26126 ? 72  LYS B N    1 
ATOM   2888 C  CA   . LYS B 1 76  ? -4.04889  -1.20217  38.09822 1.000 19.86415 ? 72  LYS B CA   1 
ATOM   2889 C  C    . LYS B 1 76  ? -4.50629  -0.21585  39.15944 1.000 19.62013 ? 72  LYS B C    1 
ATOM   2890 O  O    . LYS B 1 76  ? -3.68778  0.23237   39.96349 1.000 17.74346 ? 72  LYS B O    1 
ATOM   2891 C  CB   . LYS B 1 76  ? -3.33708  -0.47005  36.95916 1.000 24.80844 ? 72  LYS B CB   1 
ATOM   2892 C  CG   . LYS B 1 76  ? -4.01107  0.79923   36.49595 1.000 23.05127 ? 72  LYS B CG   1 
ATOM   2893 C  CD   . LYS B 1 76  ? -3.21287  1.40859   35.35114 1.000 34.89157 ? 72  LYS B CD   1 
ATOM   2894 C  CE   . LYS B 1 76  ? -4.05898  2.33115   34.50255 1.000 47.73554 ? 72  LYS B CE   1 
ATOM   2895 N  NZ   . LYS B 1 76  ? -3.26089  2.91823   33.38806 1.000 58.89648 ? 72  LYS B NZ   1 
ATOM   2896 H  H    . LYS B 1 76  ? -5.40003  -1.87549  36.81106 1.000 21.93708 ? 72  LYS B H    1 
ATOM   2897 H  HA   . LYS B 1 76  ? -3.38635  -1.78811  38.49648 1.000 23.86055 ? 72  LYS B HA   1 
ATOM   2898 H  HB2  . LYS B 1 76  ? -2.44472  -0.23342  37.25680 1.000 29.79369 ? 72  LYS B HB2  1 
ATOM   2899 H  HB3  . LYS B 1 76  ? -3.28499  -1.06668  36.19613 1.000 29.79369 ? 72  LYS B HB3  1 
ATOM   2900 H  HG2  . LYS B 1 76  ? -4.90715  0.60040   36.18225 1.000 27.68509 ? 72  LYS B HG2  1 
ATOM   2901 H  HG3  . LYS B 1 76  ? -4.04897  1.43694   37.22587 1.000 27.68509 ? 72  LYS B HG3  1 
ATOM   2902 H  HD2  . LYS B 1 76  ? -2.47450  1.92244   35.71399 1.000 41.89345 ? 72  LYS B HD2  1 
ATOM   2903 H  HD3  . LYS B 1 76  ? -2.87535  0.69849   34.78303 1.000 41.89345 ? 72  LYS B HD3  1 
ATOM   2904 H  HE2  . LYS B 1 76  ? -4.79757  1.83149   34.12080 1.000 57.30621 ? 72  LYS B HE2  1 
ATOM   2905 H  HE3  . LYS B 1 76  ? -4.39725  3.05531   35.05214 1.000 57.30621 ? 72  LYS B HE3  1 
ATOM   2906 H  HZ1  . LYS B 1 76  ? -2.94072  2.27025   32.86872 1.000 70.69934 ? 72  LYS B HZ1  1 
ATOM   2907 H  HZ2  . LYS B 1 76  ? -3.77308  3.45546   32.89699 1.000 70.69934 ? 72  LYS B HZ2  1 
ATOM   2908 H  HZ3  . LYS B 1 76  ? -2.58014  3.38849   33.71599 1.000 70.69934 ? 72  LYS B HZ3  1 
ATOM   2909 N  N    . LYS B 1 77  ? -5.78692  0.14801   39.18714 1.000 18.43632 ? 73  LYS B N    1 
ATOM   2910 C  CA   . LYS B 1 77  ? -6.27524  0.96479   40.29388 1.000 20.88642 ? 73  LYS B CA   1 
ATOM   2911 C  C    . LYS B 1 77  ? -6.23273  0.17603   41.59659 1.000 16.56944 ? 73  LYS B C    1 
ATOM   2912 O  O    . LYS B 1 77  ? -5.87093  0.70715   42.65363 1.000 20.08358 ? 73  LYS B O    1 
ATOM   2913 C  CB   . LYS B 1 77  ? -7.70192  1.44621   40.02438 1.000 20.05333 ? 73  LYS B CB   1 
ATOM   2914 C  CG   . LYS B 1 77  ? -8.33481  2.22237   41.17617 1.000 21.80508 ? 73  LYS B CG   1 
ATOM   2915 C  CD   . LYS B 1 77  ? -9.71813  2.70491   40.76066 1.000 28.43450 ? 73  LYS B CD   1 
ATOM   2916 C  CE   . LYS B 1 77  ? -10.45119 3.38734   41.89537 1.000 46.92470 ? 73  LYS B CE   1 
ATOM   2917 N  NZ   . LYS B 1 77  ? -11.79468 3.85961   41.44764 1.000 62.48878 ? 73  LYS B NZ   1 
ATOM   2918 H  H    . LYS B 1 77  ? -6.37753  -0.05730  38.59670 1.000 22.14715 ? 73  LYS B H    1 
ATOM   2919 H  HA   . LYS B 1 77  ? -5.70863  1.74802   40.37397 1.000 25.08727 ? 73  LYS B HA   1 
ATOM   2920 H  HB2  . LYS B 1 77  ? -7.69017  2.02935   39.24933 1.000 24.08756 ? 73  LYS B HB2  1 
ATOM   2921 H  HB3  . LYS B 1 77  ? -8.26116  0.67318   39.84949 1.000 24.08756 ? 73  LYS B HB3  1 
ATOM   2922 H  HG2  . LYS B 1 77  ? -8.42325  1.64674   41.95188 1.000 26.18966 ? 73  LYS B HG2  1 
ATOM   2923 H  HG3  . LYS B 1 77  ? -7.78667  2.99214   41.39503 1.000 26.18966 ? 73  LYS B HG3  1 
ATOM   2924 H  HD2  . LYS B 1 77  ? -9.62861  3.34073   40.03359 1.000 34.14496 ? 73  LYS B HD2  1 
ATOM   2925 H  HD3  . LYS B 1 77  ? -10.24765 1.94470   40.47327 1.000 34.14496 ? 73  LYS B HD3  1 
ATOM   2926 H  HE2  . LYS B 1 77  ? -10.57226 2.76106   42.62612 1.000 56.33321 ? 73  LYS B HE2  1 
ATOM   2927 H  HE3  . LYS B 1 77  ? -9.93952  4.15423   42.19701 1.000 56.33321 ? 73  LYS B HE3  1 
ATOM   2928 H  HZ1  . LYS B 1 77  ? -12.19988 4.29607   42.10902 1.000 75.01011 ? 73  LYS B HZ1  1 
ATOM   2929 H  HZ2  . LYS B 1 77  ? -11.70844 4.40656   40.75086 1.000 75.01011 ? 73  LYS B HZ2  1 
ATOM   2930 H  HZ3  . LYS B 1 77  ? -12.29757 3.16511   41.20918 1.000 75.01011 ? 73  LYS B HZ3  1 
ATOM   2931 N  N    . TYR B 1 78  ? -6.59931  -1.09336  41.54235 1.000 15.67007 ? 74  TYR B N    1 
ATOM   2932 C  CA   . TYR B 1 78  ? -6.66567  -1.89927  42.75540 1.000 18.36653 ? 74  TYR B CA   1 
ATOM   2933 C  C    . TYR B 1 78  ? -5.27620  -2.33042  43.21160 1.000 17.73720 ? 74  TYR B C    1 
ATOM   2934 O  O    . TYR B 1 78  ? -5.01315  -2.42856  44.41604 1.000 16.74306 ? 74  TYR B O    1 
ATOM   2935 C  CB   . TYR B 1 78  ? -7.51905  -3.13526  42.48658 1.000 17.88992 ? 74  TYR B CB   1 
ATOM   2936 C  CG   . TYR B 1 78  ? -7.97998  -3.90232  43.70870 1.000 15.70887 ? 74  TYR B CG   1 
ATOM   2937 C  CD1  . TYR B 1 78  ? -8.80328  -3.31393  44.66044 1.000 19.63538 ? 74  TYR B CD1  1 
ATOM   2938 C  CD2  . TYR B 1 78  ? -7.62962  -5.23635  43.88593 1.000 17.37218 ? 74  TYR B CD2  1 
ATOM   2939 C  CE1  . TYR B 1 78  ? -9.24807  -4.04021  45.77891 1.000 17.69557 ? 74  TYR B CE1  1 
ATOM   2940 C  CE2  . TYR B 1 78  ? -8.07116  -5.95978  44.97927 1.000 14.72131 ? 74  TYR B CE2  1 
ATOM   2941 C  CZ   . TYR B 1 78  ? -8.87240  -5.36188  45.92171 1.000 18.02159 ? 74  TYR B CZ   1 
ATOM   2942 O  OH   . TYR B 1 78  ? -9.29933  -6.11119  46.99516 1.000 19.40856 ? 74  TYR B OH   1 
ATOM   2943 H  H    . TYR B 1 78  ? -6.81424  -1.51404  40.82371 1.000 18.82764 ? 74  TYR B H    1 
ATOM   2944 H  HA   . TYR B 1 78  ? -7.07299  -1.37704  43.46412 1.000 22.06341 ? 74  TYR B HA   1 
ATOM   2945 H  HB2  . TYR B 1 78  ? -8.31448  -2.85596  42.00680 1.000 21.49147 ? 74  TYR B HB2  1 
ATOM   2946 H  HB3  . TYR B 1 78  ? -7.00127  -3.74853  41.94187 1.000 21.49147 ? 74  TYR B HB3  1 
ATOM   2947 H  HD1  . TYR B 1 78  ? -9.06380  -2.42727  44.55623 1.000 23.58602 ? 74  TYR B HD1  1 
ATOM   2948 H  HD2  . TYR B 1 78  ? -7.08640  -5.65140  43.25542 1.000 20.87018 ? 74  TYR B HD2  1 
ATOM   2949 H  HE1  . TYR B 1 78  ? -9.79009  -3.63474  46.41665 1.000 21.25825 ? 74  TYR B HE1  1 
ATOM   2950 H  HE2  . TYR B 1 78  ? -7.82548  -6.85146  45.07643 1.000 17.68913 ? 74  TYR B HE2  1 
ATOM   2951 H  HH   . TYR B 1 78  ? -9.48562  -5.60758  47.64113 1.000 23.31384 ? 74  TYR B HH   1 
ATOM   2952 N  N    . ILE B 1 79  ? -4.37438  -2.61854  42.27729 1.000 15.72531 ? 75  ILE B N    1 
ATOM   2953 C  CA   . ILE B 1 79  ? -3.02000  -3.05636  42.62529 1.000 14.32412 ? 75  ILE B CA   1 
ATOM   2954 C  C    . ILE B 1 79  ? -2.05565  -2.21636  41.79440 1.000 18.28606 ? 75  ILE B C    1 
ATOM   2955 O  O    . ILE B 1 79  ? -1.55306  -2.67671  40.75735 1.000 17.81766 ? 75  ILE B O    1 
ATOM   2956 C  CB   . ILE B 1 79  ? -2.82448  -4.56432  42.35689 1.000 18.67158 ? 75  ILE B CB   1 
ATOM   2957 C  CG1  . ILE B 1 79  ? -3.90355  -5.36888  43.07695 1.000 18.24165 ? 75  ILE B CG1  1 
ATOM   2958 C  CG2  . ILE B 1 79  ? -1.43562  -5.04081  42.80728 1.000 19.80750 ? 75  ILE B CG2  1 
ATOM   2959 C  CD1  . ILE B 1 79  ? -3.64835  -6.88358  43.10902 1.000 16.47028 ? 75  ILE B CD1  1 
ATOM   2960 H  H    . ILE B 1 79  ? -4.52124  -2.56870  41.43139 1.000 18.89394 ? 75  ILE B H    1 
ATOM   2961 H  HA   . ILE B 1 79  ? -2.85287  -2.90763  43.56914 1.000 17.21251 ? 75  ILE B HA   1 
ATOM   2962 H  HB   . ILE B 1 79  ? -2.89808  -4.70356  41.39976 1.000 22.42946 ? 75  ILE B HB   1 
ATOM   2963 H  HG12 . ILE B 1 79  ? -3.95852  -5.06091  43.99512 1.000 21.91355 ? 75  ILE B HG12 1 
ATOM   2964 H  HG13 . ILE B 1 79  ? -4.75042  -5.22330  42.62693 1.000 21.91355 ? 75  ILE B HG13 1 
ATOM   2965 H  HG21 . ILE B 1 79  ? -1.24383  -5.89483  42.38924 1.000 23.79257 ? 75  ILE B HG21 1 
ATOM   2966 H  HG22 . ILE B 1 79  ? -0.77394  -4.38466  42.53792 1.000 23.79257 ? 75  ILE B HG22 1 
ATOM   2967 H  HG23 . ILE B 1 79  ? -1.43236  -5.13685  43.77251 1.000 23.79257 ? 75  ILE B HG23 1 
ATOM   2968 H  HD11 . ILE B 1 79  ? -4.42801  -7.32746  43.47781 1.000 19.78790 ? 75  ILE B HD11 1 
ATOM   2969 H  HD12 . ILE B 1 79  ? -3.48668  -7.19581  42.20498 1.000 19.78790 ? 75  ILE B HD12 1 
ATOM   2970 H  HD13 . ILE B 1 79  ? -2.87298  -7.06152  43.66404 1.000 19.78790 ? 75  ILE B HD13 1 
ATOM   2971 N  N    . PRO B 1 80  ? -1.76599  -0.98454  42.20596 1.000 17.03832 ? 76  PRO B N    1 
ATOM   2972 C  CA   . PRO B 1 80  ? -0.86365  -0.13794  41.41894 1.000 18.55824 ? 76  PRO B CA   1 
ATOM   2973 C  C    . PRO B 1 80  ? 0.48590   -0.82711  41.25948 1.000 18.64165 ? 76  PRO B C    1 
ATOM   2974 O  O    . PRO B 1 80  ? 1.05377   -1.35252  42.22537 1.000 21.59130 ? 76  PRO B O    1 
ATOM   2975 C  CB   . PRO B 1 80  ? -0.75150  1.13419   42.26811 1.000 22.47418 ? 76  PRO B CB   1 
ATOM   2976 C  CG   . PRO B 1 80  ? -1.96719  1.11672   43.13362 1.000 21.76736 ? 76  PRO B CG   1 
ATOM   2977 C  CD   . PRO B 1 80  ? -2.18678  -0.32143  43.44570 1.000 17.88934 ? 76  PRO B CD   1 
ATOM   2978 H  HA   . PRO B 1 80  ? -1.23912  0.08057   40.55166 1.000 22.29346 ? 76  PRO B HA   1 
ATOM   2979 H  HB2  . PRO B 1 80  ? 0.05745   1.10609   42.80262 1.000 26.99258 ? 76  PRO B HB2  1 
ATOM   2980 H  HB3  . PRO B 1 80  ? -0.74313  1.91636   41.69450 1.000 26.99258 ? 76  PRO B HB3  1 
ATOM   2981 H  HG2  . PRO B 1 80  ? -1.80629  1.62757   43.94236 1.000 26.14440 ? 76  PRO B HG2  1 
ATOM   2982 H  HG3  . PRO B 1 80  ? -2.72305  1.48751   42.65187 1.000 26.14440 ? 76  PRO B HG3  1 
ATOM   2983 H  HD2  . PRO B 1 80  ? -1.63810  -0.60283  44.19448 1.000 21.49077 ? 76  PRO B HD2  1 
ATOM   2984 H  HD3  . PRO B 1 80  ? -3.12169  -0.49777  43.63473 1.000 21.49077 ? 76  PRO B HD3  1 
ATOM   2985 N  N    . GLY B 1 81  ? 0.99289   -0.84328  40.02949 1.000 17.02152 ? 77  GLY B N    1 
ATOM   2986 C  CA   . GLY B 1 81  ? 2.24109   -1.50020  39.73929 1.000 19.76540 ? 77  GLY B CA   1 
ATOM   2987 C  C    . GLY B 1 81  ? 2.12124   -2.94068  39.29345 1.000 18.69642 ? 77  GLY B C    1 
ATOM   2988 O  O    . GLY B 1 81  ? 3.14763   -3.54099  38.93484 1.000 21.93568 ? 77  GLY B O    1 
ATOM   2989 H  H    . GLY B 1 81  ? 0.62110   -0.47439  39.34737 1.000 20.44939 ? 77  GLY B H    1 
ATOM   2990 H  HA2  . GLY B 1 81  ? 2.69196   -1.01013  39.03398 1.000 23.74204 ? 77  GLY B HA2  1 
ATOM   2991 H  HA3  . GLY B 1 81  ? 2.79222   -1.48377  40.53734 1.000 23.74204 ? 77  GLY B HA3  1 
ATOM   2992 N  N    . THR B 1 82  ? 0.92340   -3.52880  39.32203 1.000 19.79938 ? 78  THR B N    1 
ATOM   2993 C  CA   . THR B 1 82  ? 0.77979   -4.91019  38.87896 1.000 20.17267 ? 78  THR B CA   1 
ATOM   2994 C  C    . THR B 1 82  ? 1.26176   -5.04598  37.43449 1.000 20.53938 ? 78  THR B C    1 
ATOM   2995 O  O    . THR B 1 82  ? 1.15747   -4.11446  36.63719 1.000 21.92091 ? 78  THR B O    1 
ATOM   2996 C  CB   . THR B 1 82  ? -0.68503  -5.33167  38.94831 1.000 22.81913 ? 78  THR B CB   1 
ATOM   2997 O  OG1  . THR B 1 82  ? -0.79973  -6.67838  38.47560 1.000 23.93832 ? 78  THR B OG1  1 
ATOM   2998 C  CG2  . THR B 1 82  ? -1.55867  -4.42054  38.09638 1.000 18.78159 ? 78  THR B CG2  1 
ATOM   2999 H  H    . THR B 1 82  ? 0.19496   -3.15693  39.58790 1.000 23.78283 ? 78  THR B H    1 
ATOM   3000 H  HA   . THR B 1 82  ? 1.30426   -5.49152  39.45157 1.000 24.23077 ? 78  THR B HA   1 
ATOM   3001 H  HB   . THR B 1 82  ? -0.99952  -5.27023  39.86385 1.000 27.40652 ? 78  THR B HB   1 
ATOM   3002 H  HG1  . THR B 1 82  ? -0.29283  -7.18202  38.91719 1.000 28.74955 ? 78  THR B HG1  1 
ATOM   3003 H  HG21 . THR B 1 82  ? -2.48716  -4.69300  38.16409 1.000 22.56147 ? 78  THR B HG21 1 
ATOM   3004 H  HG22 . THR B 1 82  ? -1.47683  -3.50312  38.40057 1.000 22.56147 ? 78  THR B HG22 1 
ATOM   3005 H  HG23 . THR B 1 82  ? -1.28300  -4.47005  37.16769 1.000 22.56147 ? 78  THR B HG23 1 
ATOM   3006 N  N    . LYS B 1 83  ? 1.85294   -6.19605  37.09136 1.000 16.79385 ? 79  LYS B N    1 
ATOM   3007 C  CA   A LYS B 1 83  ? 2.28265   -6.44822  35.72479 0.822 17.92799 ? 79  LYS B CA   1 
ATOM   3008 C  CA   B LYS B 1 83  ? 2.27959   -6.44900  35.72303 0.178 17.42972 ? 79  LYS B CA   1 
ATOM   3009 C  C    . LYS B 1 83  ? 1.20495   -7.14324  34.89387 1.000 16.54610 ? 79  LYS B C    1 
ATOM   3010 O  O    . LYS B 1 83  ? 1.47775   -7.55383  33.76636 1.000 14.14666 ? 79  LYS B O    1 
ATOM   3011 C  CB   A LYS B 1 83  ? 3.61985   -7.20689  35.70702 0.822 18.69213 ? 79  LYS B CB   1 
ATOM   3012 C  CB   B LYS B 1 83  ? 3.59408   -7.24028  35.69689 0.178 17.84021 ? 79  LYS B CB   1 
ATOM   3013 C  CG   A LYS B 1 83  ? 3.56783   -8.58843  36.30130 0.822 16.78856 ? 79  LYS B CG   1 
ATOM   3014 C  CG   B LYS B 1 83  ? 3.49658   -8.66305  36.21387 0.178 18.42663 ? 79  LYS B CG   1 
ATOM   3015 C  CD   A LYS B 1 83  ? 4.93459   -9.21177  36.32791 0.822 16.00266 ? 79  LYS B CD   1 
ATOM   3016 C  CD   B LYS B 1 83  ? 4.83464   -9.37256  36.10954 0.178 19.02850 ? 79  LYS B CD   1 
ATOM   3017 C  CE   A LYS B 1 83  ? 4.91763   -10.58271 36.97775 0.822 21.73268 ? 79  LYS B CE   1 
ATOM   3018 C  CE   B LYS B 1 83  ? 4.74061   -10.82048 36.55831 0.178 20.27700 ? 79  LYS B CE   1 
ATOM   3019 N  NZ   A LYS B 1 83  ? 6.30228   -11.14303 37.06797 0.822 25.32351 ? 79  LYS B NZ   1 
ATOM   3020 N  NZ   B LYS B 1 83  ? 4.38826   -10.94454 37.99961 0.178 24.39694 ? 79  LYS B NZ   1 
ATOM   3021 H  H    . LYS B 1 83  ? 2.01238   -6.84035  37.63822 1.000 20.17619 ? 79  LYS B H    1 
ATOM   3022 H  HA   . LYS B 1 83  ? 2.46246   -5.60285  35.28443 1.000 20.93923 ? 79  LYS B HA   1 
ATOM   3023 H  HB2  A LYS B 1 83  ? 3.91121   -7.29597  34.78611 0.822 22.45413 ? 79  LYS B HB2  1 
ATOM   3024 H  HB2  B LYS B 1 83  ? 3.90727   -7.28491  34.77993 0.178 21.43182 ? 79  LYS B HB2  1 
ATOM   3025 H  HB3  A LYS B 1 83  ? 4.27073   -6.69574  36.21295 0.822 22.45413 ? 79  LYS B HB3  1 
ATOM   3026 H  HB3  B LYS B 1 83  ? 4.24346   -6.77488  36.24699 0.178 21.43182 ? 79  LYS B HB3  1 
ATOM   3027 H  HG2  A LYS B 1 83  ? 3.23557   -8.53706  37.21117 0.822 20.16984 ? 79  LYS B HG2  1 
ATOM   3028 H  HG2  B LYS B 1 83  ? 3.22753   -8.65064  37.14573 0.178 22.13553 ? 79  LYS B HG2  1 
ATOM   3029 H  HG3  A LYS B 1 83  ? 2.98453   -9.14915  35.76627 0.822 20.16984 ? 79  LYS B HG3  1 
ATOM   3030 H  HG3  B LYS B 1 83  ? 2.84670   -9.15442  35.68745 0.178 22.13553 ? 79  LYS B HG3  1 
ATOM   3031 H  HD2  A LYS B 1 83  ? 5.25879   -9.31087  35.41907 0.822 19.22675 ? 79  LYS B HD2  1 
ATOM   3032 H  HD2  B LYS B 1 83  ? 5.13313   -9.35933  35.18670 0.178 22.85776 ? 79  LYS B HD2  1 
ATOM   3033 H  HD3  A LYS B 1 83  ? 5.53566   -8.64339  36.83443 0.822 19.22675 ? 79  LYS B HD3  1 
ATOM   3034 H  HD3  B LYS B 1 83  ? 5.48151   -8.92100  36.67395 0.178 22.85776 ? 79  LYS B HD3  1 
ATOM   3035 H  HE2  A LYS B 1 83  ? 4.55468   -10.51183 37.87449 0.822 26.10279 ? 79  LYS B HE2  1 
ATOM   3036 H  HE2  B LYS B 1 83  ? 4.05450   -11.26990 36.04045 0.178 24.35597 ? 79  LYS B HE2  1 
ATOM   3037 H  HE3  A LYS B 1 83  ? 4.37475   -11.18632 36.44687 0.822 26.10279 ? 79  LYS B HE3  1 
ATOM   3038 H  HE3  B LYS B 1 83  ? 5.59776   -11.25273 36.41921 0.178 24.35597 ? 79  LYS B HE3  1 
ATOM   3039 H  HZ1  A LYS B 1 83  ? 6.54913   -11.47298 36.27911 0.822 30.41177 ? 79  LYS B HZ1  1 
ATOM   3040 H  HZ1  B LYS B 1 83  ? 4.94523   -10.45553 38.49231 0.178 29.29989 ? 79  LYS B HZ1  1 
ATOM   3041 H  HZ2  A LYS B 1 83  ? 6.87437   -10.50400 37.30557 0.822 30.41177 ? 79  LYS B HZ2  1 
ATOM   3042 H  HZ2  B LYS B 1 83  ? 3.55623   -10.65918 38.13522 0.178 29.29989 ? 79  LYS B HZ2  1 
ATOM   3043 H  HZ3  A LYS B 1 83  ? 6.32831   -11.79404 37.67427 0.822 30.41177 ? 79  LYS B HZ3  1 
ATOM   3044 H  HZ3  B LYS B 1 83  ? 4.44722   -11.79498 38.25528 0.178 29.29989 ? 79  LYS B HZ3  1 
ATOM   3045 N  N    . MET B 1 84  ? -0.01979  -7.27457  35.42324 1.000 14.47185 ? 80  MET B N    1 
ATOM   3046 C  CA   . MET B 1 84  ? -1.14261  -7.74881  34.62028 1.000 13.40756 ? 80  MET B CA   1 
ATOM   3047 C  C    . MET B 1 84  ? -1.61818  -6.60340  33.73684 1.000 15.63277 ? 80  MET B C    1 
ATOM   3048 O  O    . MET B 1 84  ? -2.08894  -5.57850  34.24710 1.000 17.69489 ? 80  MET B O    1 
ATOM   3049 C  CB   . MET B 1 84  ? -2.29651  -8.21234  35.50717 1.000 12.08582 ? 80  MET B CB   1 
ATOM   3050 C  CG   . MET B 1 84  ? -3.59932  -8.49409  34.73464 1.000 11.94341 ? 80  MET B CG   1 
ATOM   3051 S  SD   . MET B 1 84  ? -4.78216  -9.45238  35.66208 1.000 13.77447 ? 80  MET B SD   1 
ATOM   3052 C  CE   . MET B 1 84  ? -6.35182  -8.80982  35.09526 1.000 13.45614 ? 80  MET B CE   1 
ATOM   3053 H  H    . MET B 1 84  ? -0.21923  -7.09520  36.24034 1.000 17.38979 ? 80  MET B H    1 
ATOM   3054 H  HA   . MET B 1 84  ? -0.85002  -8.50456  34.08724 1.000 16.11264 ? 80  MET B HA   1 
ATOM   3055 H  HB2  . MET B 1 84  ? -2.03519  -9.03174  35.95572 1.000 14.52655 ? 80  MET B HB2  1 
ATOM   3056 H  HB3  . MET B 1 84  ? -2.48386  -7.52118  36.16146 1.000 14.52655 ? 80  MET B HB3  1 
ATOM   3057 H  HG2  . MET B 1 84  ? -4.01650  -7.64896  34.50525 1.000 14.28273 ? 80  MET B HG2  1 
ATOM   3058 H  HG3  . MET B 1 84  ? -3.38455  -8.98784  33.92781 1.000 14.28273 ? 80  MET B HG3  1 
ATOM   3059 H  HE1  . MET B 1 84  ? -7.06337  -9.38501  35.41735 1.000 16.17094 ? 80  MET B HE1  1 
ATOM   3060 H  HE2  . MET B 1 84  ? -6.46949  -7.91186  35.44272 1.000 16.17094 ? 80  MET B HE2  1 
ATOM   3061 H  HE3  . MET B 1 84  ? -6.35417  -8.79217  34.12543 1.000 16.17094 ? 80  MET B HE3  1 
ATOM   3062 N  N    . ILE B 1 85  ? -1.51566  -6.78764  32.41628 1.000 17.48381 ? 81  ILE B N    1 
ATOM   3063 C  CA   . ILE B 1 85  ? -1.87833  -5.77278  31.43093 1.000 17.26237 ? 81  ILE B CA   1 
ATOM   3064 C  C    . ILE B 1 85  ? -3.29874  -6.08636  30.96483 1.000 15.59102 ? 81  ILE B C    1 
ATOM   3065 O  O    . ILE B 1 85  ? -3.51984  -6.93511  30.09450 1.000 18.68610 ? 81  ILE B O    1 
ATOM   3066 C  CB   . ILE B 1 85  ? -0.89066  -5.73100  30.25622 1.000 17.99777 ? 81  ILE B CB   1 
ATOM   3067 C  CG1  . ILE B 1 85  ? 0.54569   -5.50794  30.74630 1.000 27.20504 ? 81  ILE B CG1  1 
ATOM   3068 C  CG2  . ILE B 1 85  ? -1.25596  -4.61757  29.27618 1.000 20.98889 ? 81  ILE B CG2  1 
ATOM   3069 C  CD1  . ILE B 1 85  ? 0.72306   -4.30722  31.66551 1.000 31.90277 ? 81  ILE B CD1  1 
ATOM   3070 H  H    . ILE B 1 85  ? -1.22908  -7.51682  32.06164 1.000 21.00414 ? 81  ILE B H    1 
ATOM   3071 H  HA   . ILE B 1 85  ? -1.87926  -4.90275  31.85982 1.000 20.73841 ? 81  ILE B HA   1 
ATOM   3072 H  HB   . ILE B 1 85  ? -0.94662  -6.59038  29.80988 1.000 21.62089 ? 81  ILE B HB   1 
ATOM   3073 H  HG12 . ILE B 1 85  ? 0.83045   -6.29546  31.23582 1.000 32.66961 ? 81  ILE B HG12 1 
ATOM   3074 H  HG13 . ILE B 1 85  ? 1.11743   -5.37229  29.97455 1.000 32.66961 ? 81  ILE B HG13 1 
ATOM   3075 H  HG21 . ILE B 1 85  ? -0.50816  -4.46619  28.67719 1.000 25.21023 ? 81  ILE B HG21 1 
ATOM   3076 H  HG22 . ILE B 1 85  ? -2.03710  -4.88752  28.76840 1.000 25.21023 ? 81  ILE B HG22 1 
ATOM   3077 H  HG23 . ILE B 1 85  ? -1.44915  -3.80849  29.77513 1.000 25.21023 ? 81  ILE B HG23 1 
ATOM   3078 H  HD11 . ILE B 1 85  ? 1.67066   -4.15086  31.80149 1.000 38.30689 ? 81  ILE B HD11 1 
ATOM   3079 H  HD12 . ILE B 1 85  ? 0.31556   -3.53010  31.25209 1.000 38.30689 ? 81  ILE B HD12 1 
ATOM   3080 H  HD13 . ILE B 1 85  ? 0.29332   -4.49356  32.51492 1.000 38.30689 ? 81  ILE B HD13 1 
ATOM   3081 N  N    . PHE B 1 86  ? -4.27359  -5.38613  31.53618 1.000 16.61185 ? 82  PHE B N    1 
ATOM   3082 C  CA   . PHE B 1 86  ? -5.67818  -5.61767  31.22224 1.000 20.87189 ? 82  PHE B CA   1 
ATOM   3083 C  C    . PHE B 1 86  ? -6.42784  -4.39635  31.70793 1.000 17.67498 ? 82  PHE B C    1 
ATOM   3084 O  O    . PHE B 1 86  ? -6.41893  -4.10353  32.90834 1.000 20.37185 ? 82  PHE B O    1 
ATOM   3085 C  CB   . PHE B 1 86  ? -6.18940  -6.88150  31.91029 1.000 16.13488 ? 82  PHE B CB   1 
ATOM   3086 C  CG   . PHE B 1 86  ? -7.62675  -7.18623  31.61214 1.000 15.30258 ? 82  PHE B CG   1 
ATOM   3087 C  CD1  . PHE B 1 86  ? -7.98774  -7.74768  30.39909 1.000 13.74520 ? 82  PHE B CD1  1 
ATOM   3088 C  CD2  . PHE B 1 86  ? -8.62448  -6.91642  32.53907 1.000 17.43323 ? 82  PHE B CD2  1 
ATOM   3089 C  CE1  . PHE B 1 86  ? -9.32423  -8.01519  30.11719 1.000 15.46015 ? 82  PHE B CE1  1 
ATOM   3090 C  CE2  . PHE B 1 86  ? -9.94421  -7.17663  32.25447 1.000 20.69921 ? 82  PHE B CE2  1 
ATOM   3091 C  CZ   . PHE B 1 86  ? -10.30018 -7.72491  31.03977 1.000 18.79282 ? 82  PHE B CZ   1 
ATOM   3092 H  H    . PHE B 1 86  ? -4.14593  -4.76384  32.11589 1.000 19.95779 ? 82  PHE B H    1 
ATOM   3093 H  HA   . PHE B 1 86  ? -5.80718  -5.72801  30.26721 1.000 25.06984 ? 82  PHE B HA   1 
ATOM   3094 H  HB2  . PHE B 1 86  ? -5.65790  -7.63636  31.61263 1.000 19.38542 ? 82  PHE B HB2  1 
ATOM   3095 H  HB3  . PHE B 1 86  ? -6.10198  -6.77212  32.87013 1.000 19.38542 ? 82  PHE B HB3  1 
ATOM   3096 H  HD1  . PHE B 1 86  ? -7.33343  -7.94721  29.76903 1.000 16.51781 ? 82  PHE B HD1  1 
ATOM   3097 H  HD2  . PHE B 1 86  ? -8.39676  -6.55426  33.36483 1.000 20.94345 ? 82  PHE B HD2  1 
ATOM   3098 H  HE1  . PHE B 1 86  ? -9.55794  -8.39247  29.29992 1.000 18.57575 ? 82  PHE B HE1  1 
ATOM   3099 H  HE2  . PHE B 1 86  ? -10.60031 -6.98199  32.88419 1.000 24.86262 ? 82  PHE B HE2  1 
ATOM   3100 H  HZ   . PHE B 1 86  ? -11.19358 -7.89671  30.84683 1.000 22.57495 ? 82  PHE B HZ   1 
ATOM   3101 N  N    . ALA B 1 87  ? -7.06109  -3.67601  30.78442 1.000 17.81400 ? 83  ALA B N    1 
ATOM   3102 C  CA   . ALA B 1 87  ? -7.65104  -2.39163  31.15246 1.000 20.90104 ? 83  ALA B CA   1 
ATOM   3103 C  C    . ALA B 1 87  ? -8.83940  -2.54845  32.09768 1.000 18.26032 ? 83  ALA B C    1 
ATOM   3104 O  O    . ALA B 1 87  ? -9.11032  -1.63988  32.89386 1.000 22.88758 ? 83  ALA B O    1 
ATOM   3105 C  CB   . ALA B 1 87  ? -8.04717  -1.60183  29.90863 1.000 25.39674 ? 83  ALA B CB   1 
ATOM   3106 H  H    . ALA B 1 87  ? -7.16184  -3.89956  29.96011 1.000 21.40037 ? 83  ALA B H    1 
ATOM   3107 H  HA   . ALA B 1 87  ? -6.97582  -1.87563  31.62013 1.000 25.10481 ? 83  ALA B HA   1 
ATOM   3108 H  HB1  . ALA B 1 87  ? -8.45394  -0.76484  30.18227 1.000 30.49966 ? 83  ALA B HB1  1 
ATOM   3109 H  HB2  . ALA B 1 87  ? -7.25316  -1.42639  29.37979 1.000 30.49966 ? 83  ALA B HB2  1 
ATOM   3110 H  HB3  . ALA B 1 87  ? -8.68038  -2.12383  29.39146 1.000 30.49966 ? 83  ALA B HB3  1 
ATOM   3111 N  N    . GLY B 1 88  ? -9.56517  -3.66458  32.01825 1.000 16.90592 ? 84  GLY B N    1 
ATOM   3112 C  CA   . GLY B 1 88  ? -10.68655 -3.91776  32.90944 1.000 16.06090 ? 84  GLY B CA   1 
ATOM   3113 C  C    . GLY B 1 88  ? -11.95809 -4.25925  32.16395 1.000 19.60306 ? 84  GLY B C    1 
ATOM   3114 O  O    . GLY B 1 88  ? -12.13811 -3.90190  31.00012 1.000 21.87830 ? 84  GLY B O    1 
ATOM   3115 H  H    . GLY B 1 88  ? -9.42270  -4.29361  31.44937 1.000 20.31067 ? 84  GLY B H    1 
ATOM   3116 H  HA2  . GLY B 1 88  ? -10.46881 -4.65953  33.49533 1.000 19.29664 ? 84  GLY B HA2  1 
ATOM   3117 H  HA3  . GLY B 1 88  ? -10.85226 -3.12813  33.44789 1.000 19.29664 ? 84  GLY B HA3  1 
ATOM   3118 N  N    . LEU B 1 89  ? -12.84157 -4.98416  32.83817 1.000 17.65114 ? 85  LEU B N    1 
ATOM   3119 C  CA   . LEU B 1 89  ? -14.17989 -5.27797  32.33895 1.000 16.61681 ? 85  LEU B CA   1 
ATOM   3120 C  C    . LEU B 1 89  ? -15.12983 -4.27813  32.97737 1.000 21.77841 ? 85  LEU B C    1 
ATOM   3121 O  O    . LEU B 1 89  ? -15.42480 -4.36971  34.17249 1.000 20.64653 ? 85  LEU B O    1 
ATOM   3122 C  CB   . LEU B 1 89  ? -14.60405 -6.68911  32.73417 1.000 19.77111 ? 85  LEU B CB   1 
ATOM   3123 C  CG   . LEU B 1 89  ? -13.96239 -7.88296  32.07339 1.000 28.12356 ? 85  LEU B CG   1 
ATOM   3124 C  CD1  . LEU B 1 89  ? -14.37956 -9.15120  32.81626 1.000 23.79305 ? 85  LEU B CD1  1 
ATOM   3125 C  CD2  . LEU B 1 89  ? -14.38810 -7.91661  30.62057 1.000 26.37040 ? 85  LEU B CD2  1 
ATOM   3126 H  H    . LEU B 1 89  ? -12.68319 -5.32686  33.61087 1.000 21.20494 ? 85  LEU B H    1 
ATOM   3127 H  HA   . LEU B 1 89  ? -14.19281 -5.19477  31.37261 1.000 19.96374 ? 85  LEU B HA   1 
ATOM   3128 H  HB2  . LEU B 1 89  ? -14.43453 -6.78352  33.68456 1.000 23.74889 ? 85  LEU B HB2  1 
ATOM   3129 H  HB3  . LEU B 1 89  ? -15.55510 -6.76223  32.55794 1.000 23.74889 ? 85  LEU B HB3  1 
ATOM   3130 H  HG   . LEU B 1 89  ? -12.99423 -7.83131  32.10340 1.000 33.77184 ? 85  LEU B HG   1 
ATOM   3131 H  HD11 . LEU B 1 89  ? -14.04746 -9.92393  32.33304 1.000 28.57523 ? 85  LEU B HD11 1 
ATOM   3132 H  HD12 . LEU B 1 89  ? -14.00220 -9.13247  33.70965 1.000 28.57523 ? 85  LEU B HD12 1 
ATOM   3133 H  HD13 . LEU B 1 89  ? -15.34770 -9.18362  32.86673 1.000 28.57523 ? 85  LEU B HD13 1 
ATOM   3134 H  HD21 . LEU B 1 89  ? -14.04150 -8.72345  30.20854 1.000 31.66805 ? 85  LEU B HD21 1 
ATOM   3135 H  HD22 . LEU B 1 89  ? -15.35703 -7.91201  30.57523 1.000 31.66805 ? 85  LEU B HD22 1 
ATOM   3136 H  HD23 . LEU B 1 89  ? -14.03212 -7.13541  30.16901 1.000 31.66805 ? 85  LEU B HD23 1 
ATOM   3137 N  N    . LYS B 1 90  ? -15.63090 -3.33885  32.18650 1.000 27.90656 ? 86  LYS B N    1 
ATOM   3138 C  CA   . LYS B 1 90  ? -16.42508 -2.27887  32.78804 1.000 25.01282 ? 86  LYS B CA   1 
ATOM   3139 C  C    . LYS B 1 90  ? -17.83975 -2.73354  33.12689 1.000 23.95819 ? 86  LYS B C    1 
ATOM   3140 O  O    . LYS B 1 90  ? -18.42007 -2.23964  34.09764 1.000 24.87814 ? 86  LYS B O    1 
ATOM   3141 C  CB   . LYS B 1 90  ? -16.42809 -1.04570  31.88019 1.000 27.44080 ? 86  LYS B CB   1 
ATOM   3142 C  CG   . LYS B 1 90  ? -15.02786 -0.57925  31.47508 1.000 29.06596 ? 86  LYS B CG   1 
ATOM   3143 C  CD   . LYS B 1 90  ? -14.08218 -0.42556  32.68548 1.000 43.16646 ? 86  LYS B CD   1 
ATOM   3144 C  CE   . LYS B 1 90  ? -12.67819 -0.00934  32.23851 1.000 43.97684 ? 86  LYS B CE   1 
ATOM   3145 N  NZ   . LYS B 1 90  ? -11.78008 0.37451   33.37509 1.000 35.53038 ? 86  LYS B NZ   1 
ATOM   3146 H  H    . LYS B 1 90  ? -15.53075 -3.29293  31.33358 1.000 33.51144 ? 86  LYS B H    1 
ATOM   3147 H  HA   . LYS B 1 90  ? -16.01492 -2.01128  33.62533 1.000 30.03895 ? 86  LYS B HA   1 
ATOM   3148 H  HB2  . LYS B 1 90  ? -16.91699 -1.25604  31.06925 1.000 32.95253 ? 86  LYS B HB2  1 
ATOM   3149 H  HB3  . LYS B 1 90  ? -16.86067 -0.31440  32.34813 1.000 32.95253 ? 86  LYS B HB3  1 
ATOM   3150 H  HG2  . LYS B 1 90  ? -14.63887 -1.23062  30.87068 1.000 34.90272 ? 86  LYS B HG2  1 
ATOM   3151 H  HG3  . LYS B 1 90  ? -15.09538 0.28263   31.03520 1.000 34.90272 ? 86  LYS B HG3  1 
ATOM   3152 H  HD2  . LYS B 1 90  ? -14.42896 0.25661   33.28154 1.000 51.82332 ? 86  LYS B HD2  1 
ATOM   3153 H  HD3  . LYS B 1 90  ? -14.01639 -1.27269  33.15339 1.000 51.82332 ? 86  LYS B HD3  1 
ATOM   3154 H  HE2  . LYS B 1 90  ? -12.26469 -0.75203  31.77124 1.000 52.79577 ? 86  LYS B HE2  1 
ATOM   3155 H  HE3  . LYS B 1 90  ? -12.75133 0.75564   31.64660 1.000 52.79577 ? 86  LYS B HE3  1 
ATOM   3156 H  HZ1  . LYS B 1 90  ? -11.00338 0.67503   33.06121 1.000 42.66002 ? 86  LYS B HZ1  1 
ATOM   3157 H  HZ2  . LYS B 1 90  ? -12.16181 1.01427   33.86201 1.000 42.66002 ? 86  LYS B HZ2  1 
ATOM   3158 H  HZ3  . LYS B 1 90  ? -11.62778 -0.33186  33.89465 1.000 42.66002 ? 86  LYS B HZ3  1 
ATOM   3159 N  N    . LYS B 1 91  ? -18.40205 -3.67285  32.37707 1.000 20.74226 ? 87  LYS B N    1 
ATOM   3160 C  CA   . LYS B 1 91  ? -19.80618 -4.02484  32.55572 1.000 20.05430 ? 87  LYS B CA   1 
ATOM   3161 C  C    . LYS B 1 91  ? -19.96753 -4.87497  33.81239 1.000 22.43626 ? 87  LYS B C    1 
ATOM   3162 O  O    . LYS B 1 91  ? -19.30577 -5.91918  33.92712 1.000 18.89551 ? 87  LYS B O    1 
ATOM   3163 C  CB   . LYS B 1 91  ? -20.29285 -4.78740  31.33617 1.000 26.11051 ? 87  LYS B CB   1 
ATOM   3164 C  CG   . LYS B 1 91  ? -20.27717 -3.94877  30.05853 1.000 26.59527 ? 87  LYS B CG   1 
ATOM   3165 C  CD   . LYS B 1 91  ? -21.00869 -4.67571  28.93818 1.000 34.58586 ? 87  LYS B CD   1 
ATOM   3166 C  CE   . LYS B 1 91  ? -21.10118 -3.83110  27.67887 1.000 49.19210 ? 87  LYS B CE   1 
ATOM   3167 N  NZ   . LYS B 1 91  ? -21.95795 -4.48979  26.65016 1.000 58.98456 ? 87  LYS B NZ   1 
ATOM   3168 H  H    . LYS B 1 91  ? -17.99749 -4.11848  31.76279 1.000 24.91428 ? 87  LYS B H    1 
ATOM   3169 H  HA   . LYS B 1 91  ? -20.34532 -3.22555  32.66232 1.000 24.08872 ? 87  LYS B HA   1 
ATOM   3170 H  HB2  . LYS B 1 91  ? -19.71808 -5.55612  31.19617 1.000 31.35618 ? 87  LYS B HB2  1 
ATOM   3171 H  HB3  . LYS B 1 91  ? -21.20493 -5.07895  31.49114 1.000 31.35618 ? 87  LYS B HB3  1 
ATOM   3172 H  HG2  . LYS B 1 91  ? -20.72137 -3.10164  30.21965 1.000 31.93789 ? 87  LYS B HG2  1 
ATOM   3173 H  HG3  . LYS B 1 91  ? -19.36047 -3.79520  29.78110 1.000 31.93789 ? 87  LYS B HG3  1 
ATOM   3174 H  HD2  . LYS B 1 91  ? -20.53104 -5.49164  28.72133 1.000 41.52660 ? 87  LYS B HD2  1 
ATOM   3175 H  HD3  . LYS B 1 91  ? -21.90991 -4.88611  29.22874 1.000 41.52660 ? 87  LYS B HD3  1 
ATOM   3176 H  HE2  . LYS B 1 91  ? -21.49072 -2.96976  27.89625 1.000 59.05408 ? 87  LYS B HE2  1 
ATOM   3177 H  HE3  . LYS B 1 91  ? -20.21385 -3.70941  27.30640 1.000 59.05408 ? 87  LYS B HE3  1 
ATOM   3178 H  HZ1  . LYS B 1 91  ? -22.03913 -3.96187  25.93825 1.000 70.80504 ? 87  LYS B HZ1  1 
ATOM   3179 H  HZ2  . LYS B 1 91  ? -21.59215 -5.26088  26.39774 1.000 70.80504 ? 87  LYS B HZ2  1 
ATOM   3180 H  HZ3  . LYS B 1 91  ? -22.76694 -4.64976  26.98487 1.000 70.80504 ? 87  LYS B HZ3  1 
ATOM   3181 N  N    . PRO B 1 92  ? -20.81805 -4.47050  34.77770 1.000 18.83304 ? 88  PRO B N    1 
ATOM   3182 C  CA   . PRO B 1 92  ? -20.98051 -5.28577  35.98814 1.000 19.80014 ? 88  PRO B CA   1 
ATOM   3183 C  C    . PRO B 1 92  ? -21.39974 -6.70834  35.70913 1.000 21.24129 ? 88  PRO B C    1 
ATOM   3184 O  O    . PRO B 1 92  ? -21.01398 -7.60172  36.45940 1.000 19.78914 ? 88  PRO B O    1 
ATOM   3185 C  CB   . PRO B 1 92  ? -22.07272 -4.55428  36.77924 1.000 21.82809 ? 88  PRO B CB   1 
ATOM   3186 C  CG   . PRO B 1 92  ? -22.19874 -3.23784  36.19280 1.000 22.57410 ? 88  PRO B CG   1 
ATOM   3187 C  CD   . PRO B 1 92  ? -21.60200 -3.23259  34.83844 1.000 19.93590 ? 88  PRO B CD   1 
ATOM   3188 H  HA   . PRO B 1 92  ? -20.14575 -5.27324  36.48202 1.000 23.78373 ? 88  PRO B HA   1 
ATOM   3189 H  HB2  . PRO B 1 92  ? -22.90773 -5.04223  36.70458 1.000 26.21728 ? 88  PRO B HB2  1 
ATOM   3190 H  HB3  . PRO B 1 92  ? -21.80873 -4.48898  37.71034 1.000 26.21728 ? 88  PRO B HB3  1 
ATOM   3191 H  HG2  . PRO B 1 92  ? -23.14022 -3.01083  36.13816 1.000 27.11248 ? 88  PRO B HG2  1 
ATOM   3192 H  HG3  . PRO B 1 92  ? -21.73598 -2.60007  36.75848 1.000 27.11248 ? 88  PRO B HG3  1 
ATOM   3193 H  HD2  . PRO B 1 92  ? -22.29579 -3.23518  34.16054 1.000 23.94665 ? 88  PRO B HD2  1 
ATOM   3194 H  HD3  . PRO B 1 92  ? -21.02759 -2.45962  34.72233 1.000 23.94665 ? 88  PRO B HD3  1 
ATOM   3195 N  N    . ASN B 1 93  ? -22.22473 -6.96072  34.69425 1.000 19.08489 ? 89  ASN B N    1 
ATOM   3196 C  CA   . ASN B 1 93  ? -22.71702 -8.32328  34.53063 1.000 19.92395 ? 89  ASN B CA   1 
ATOM   3197 C  C    . ASN B 1 93  ? -21.74388 -9.20294  33.78332 1.000 19.55780 ? 89  ASN B C    1 
ATOM   3198 O  O    . ASN B 1 93  ? -21.83144 -10.43364 33.89592 1.000 18.51517 ? 89  ASN B O    1 
ATOM   3199 C  CB   . ASN B 1 93  ? -24.09332 -8.33251  33.89447 1.000 25.98262 ? 89  ASN B CB   1 
ATOM   3200 C  CG   . ASN B 1 93  ? -25.07060 -7.62311  34.75148 1.000 26.25327 ? 89  ASN B CG   1 
ATOM   3201 O  OD1  . ASN B 1 93  ? -25.58967 -8.18048  35.72381 1.000 29.81814 ? 89  ASN B OD1  1 
ATOM   3202 N  ND2  . ASN B 1 93  ? -25.26880 -6.35176  34.45906 1.000 25.66477 ? 89  ASN B ND2  1 
ATOM   3203 H  H    . ASN B 1 93  ? -22.50057 -6.38782  34.11520 1.000 22.78404 ? 89  ASN B H    1 
ATOM   3204 H  HD21 . ASN B 1 93  ? -25.82487 -5.88592  34.92098 1.000 30.82129 ? 89  ASN B HD21 1 
ATOM   3205 H  HD22 . ASN B 1 93  ? -24.84191 -5.98900  33.80655 1.000 30.82129 ? 89  ASN B HD22 1 
ATOM   3206 N  N    . GLU B 1 94  ? -20.82989 -8.59904  33.02443 1.000 18.16894 ? 90  GLU B N    1 
ATOM   3207 C  CA   . GLU B 1 94  ? -19.70600 -9.35894  32.50732 1.000 18.92096 ? 90  GLU B CA   1 
ATOM   3208 C  C    . GLU B 1 94  ? -18.79585 -9.77922  33.64553 1.000 17.38902 ? 90  GLU B C    1 
ATOM   3209 O  O    . GLU B 1 94  ? -18.36637 -10.92953 33.69662 1.000 17.13643 ? 90  GLU B O    1 
ATOM   3210 C  CB   . GLU B 1 94  ? -18.97443 -8.57926  31.41409 1.000 17.34414 ? 90  GLU B CB   1 
ATOM   3211 C  CG   . GLU B 1 94  ? -19.77527 -8.54643  30.09888 1.000 19.66430 ? 90  GLU B CG   1 
ATOM   3212 C  CD   . GLU B 1 94  ? -19.00111 -7.99439  28.92745 1.000 26.52020 ? 90  GLU B CD   1 
ATOM   3213 O  OE1  . GLU B 1 94  ? -17.86511 -7.51132  29.11843 1.000 29.26565 ? 90  GLU B OE1  1 
ATOM   3214 O  OE2  . GLU B 1 94  ? -19.52645 -8.06949  27.80236 1.000 29.75340 ? 90  GLU B OE2  1 
ATOM   3215 H  H    . GLU B 1 94  ? -20.83888 -7.76879  32.80035 1.000 21.68490 ? 90  GLU B H    1 
ATOM   3216 H  HA   . GLU B 1 94  ? -20.02417 -10.16620 32.07373 1.000 22.72872 ? 90  GLU B HA   1 
ATOM   3217 H  HB2  . GLU B 1 94  ? -18.83861 -7.66563  31.71031 1.000 20.83654 ? 90  GLU B HB2  1 
ATOM   3218 H  HB3  . GLU B 1 94  ? -18.11908 -9.00182  31.23884 1.000 20.83654 ? 90  GLU B HB3  1 
ATOM   3219 H  HG2  . GLU B 1 94  ? -20.04465 -9.45098  29.87500 1.000 23.62072 ? 90  GLU B HG2  1 
ATOM   3220 H  HG3  . GLU B 1 94  ? -20.55870 -7.98845  30.22451 1.000 23.62072 ? 90  GLU B HG3  1 
ATOM   3221 N  N    . ARG B 1 95  ? -18.53042 -8.88297  34.59309 1.000 17.50523 ? 91  ARG B N    1 
ATOM   3222 C  CA   . ARG B 1 95  ? -17.76535 -9.28999  35.76971 1.000 17.35588 ? 91  ARG B CA   1 
ATOM   3223 C  C    . ARG B 1 95  ? -18.51162 -10.34331 36.57664 1.000 19.32478 ? 91  ARG B C    1 
ATOM   3224 O  O    . ARG B 1 95  ? -17.91783 -11.32740 37.03669 1.000 17.42758 ? 91  ARG B O    1 
ATOM   3225 C  CB   . ARG B 1 95  ? -17.43276 -8.07467  36.62976 1.000 17.46369 ? 91  ARG B CB   1 
ATOM   3226 C  CG   . ARG B 1 95  ? -16.31635 -7.22392  36.04972 1.000 17.03230 ? 91  ARG B CG   1 
ATOM   3227 C  CD   . ARG B 1 95  ? -16.03248 -6.01583  36.90397 1.000 17.15886 ? 91  ARG B CD   1 
ATOM   3228 N  NE   . ARG B 1 95  ? -17.00060 -4.96155  36.61837 1.000 23.28143 ? 91  ARG B NE   1 
ATOM   3229 C  CZ   . ARG B 1 95  ? -17.45781 -4.08163  37.48985 1.000 19.54077 ? 91  ARG B CZ   1 
ATOM   3230 N  NH1  . ARG B 1 95  ? -17.07404 -4.10117  38.76287 1.000 22.40645 ? 91  ARG B NH1  1 
ATOM   3231 N  NH2  . ARG B 1 95  ? -18.33168 -3.16834  37.08154 1.000 22.29155 ? 91  ARG B NH2  1 
ATOM   3232 H  H    . ARG B 1 95  ? -18.77265 -8.05785  34.58251 1.000 20.88844 ? 91  ARG B H    1 
ATOM   3233 H  HA   . ARG B 1 95  ? -16.92687 -9.68068  35.47780 1.000 20.70923 ? 91  ARG B HA   1 
ATOM   3234 H  HB2  . ARG B 1 95  ? -18.22351 -7.51826  36.70736 1.000 20.83860 ? 91  ARG B HB2  1 
ATOM   3235 H  HB3  . ARG B 1 95  ? -17.15283 -8.37764  37.50768 1.000 20.83860 ? 91  ARG B HB3  1 
ATOM   3236 H  HG2  . ARG B 1 95  ? -15.50577 -7.75381  35.99422 1.000 20.32092 ? 91  ARG B HG2  1 
ATOM   3237 H  HG3  . ARG B 1 95  ? -16.57345 -6.91735  35.16608 1.000 20.32092 ? 91  ARG B HG3  1 
ATOM   3238 H  HD2  . ARG B 1 95  ? -16.10103 -6.25542  37.84141 1.000 20.47280 ? 91  ARG B HD2  1 
ATOM   3239 H  HD3  . ARG B 1 95  ? -15.14257 -5.68146  36.71121 1.000 20.47280 ? 91  ARG B HD3  1 
ATOM   3240 H  HE   . ARG B 1 95  ? -17.29872 -4.90907  35.81341 1.000 27.96129 ? 91  ARG B HE   1 
ATOM   3241 H  HH11 . ARG B 1 95  ? -16.51584 -4.69629  39.03463 1.000 26.91131 ? 91  ARG B HH11 1 
ATOM   3242 H  HH12 . ARG B 1 95  ? -17.38403 -3.51869  39.31443 1.000 26.91131 ? 91  ARG B HH12 1 
ATOM   3243 H  HH21 . ARG B 1 95  ? -18.59035 -3.15709  36.26144 1.000 26.77343 ? 91  ARG B HH21 1 
ATOM   3244 H  HH22 . ARG B 1 95  ? -18.63877 -2.58831  37.63728 1.000 26.77343 ? 91  ARG B HH22 1 
ATOM   3245 N  N    . GLY B 1 96  ? -19.81574 -10.15558 36.76446 1.000 18.20003 ? 92  GLY B N    1 
ATOM   3246 C  CA   . GLY B 1 96  ? -20.58068 -11.12722 37.52439 1.000 18.51773 ? 92  GLY B CA   1 
ATOM   3247 C  C    . GLY B 1 96  ? -20.59350 -12.50298 36.88987 1.000 18.31146 ? 92  GLY B C    1 
ATOM   3248 O  O    . GLY B 1 96  ? -20.44341 -13.52195 37.57860 1.000 18.27182 ? 92  GLY B O    1 
ATOM   3249 H  H    . GLY B 1 96  ? -20.27123 -9.48869  36.46887 1.000 21.72220 ? 92  GLY B H    1 
ATOM   3250 H  HA2  . GLY B 1 96  ? -20.19968 -11.20739 38.41282 1.000 22.10344 ? 92  GLY B HA2  1 
ATOM   3251 H  HA3  . GLY B 1 96  ? -21.49782 -10.82068 37.60057 1.000 22.10344 ? 92  GLY B HA3  1 
ATOM   3252 N  N    . ASP B 1 97  ? -20.79045 -12.56033 35.56659 1.000 18.18519 ? 93  ASP B N    1 
ATOM   3253 C  CA   . ASP B 1 97  ? -20.79900 -13.84935 34.88973 1.000 17.98068 ? 93  ASP B CA   1 
ATOM   3254 C  C    . ASP B 1 97  ? -19.42035 -14.49388 34.95573 1.000 17.41836 ? 93  ASP B C    1 
ATOM   3255 O  O    . ASP B 1 97  ? -19.29945 -15.68696 35.25342 1.000 17.31872 ? 93  ASP B O    1 
ATOM   3256 C  CB   . ASP B 1 97  ? -21.27017 -13.69917 33.43095 1.000 17.95775 ? 93  ASP B CB   1 
ATOM   3257 C  CG   . ASP B 1 97  ? -22.74074 -13.32166 33.30954 1.000 18.58994 ? 93  ASP B CG   1 
ATOM   3258 O  OD1  . ASP B 1 97  ? -23.48366 -13.48371 34.29766 1.000 20.38662 ? 93  ASP B OD1  1 
ATOM   3259 O  OD2  . ASP B 1 97  ? -23.15754 -12.86047 32.21716 1.000 24.36001 ? 93  ASP B OD2  1 
ATOM   3260 H  H    . ASP B 1 97  ? -20.91809 -11.88206 35.05349 1.000 21.70440 ? 93  ASP B H    1 
ATOM   3261 H  HA   . ASP B 1 97  ? -21.43404 -14.43248 35.33422 1.000 21.45898 ? 93  ASP B HA   1 
ATOM   3262 H  HB2  . ASP B 1 97  ? -20.74775 -13.00339 33.00215 1.000 21.43147 ? 93  ASP B HB2  1 
ATOM   3263 H  HB3  . ASP B 1 97  ? -21.14035 -14.54296 32.97045 1.000 21.43147 ? 93  ASP B HB3  1 
ATOM   3264 N  N    . LEU B 1 98  ? -18.37115 -13.71588 34.68097 1.000 17.04853 ? 94  LEU B N    1 
ATOM   3265 C  CA   . LEU B 1 98  ? -17.01085 -14.24705 34.75542 1.000 16.50591 ? 94  LEU B CA   1 
ATOM   3266 C  C    . LEU B 1 98  ? -16.70540 -14.77966 36.14944 1.000 16.55461 ? 94  LEU B C    1 
ATOM   3267 O  O    . LEU B 1 98  ? -16.11416 -15.85836 36.30152 1.000 16.26895 ? 94  LEU B O    1 
ATOM   3268 C  CB   . LEU B 1 98  ? -16.01094 -13.15882 34.38038 1.000 16.16632 ? 94  LEU B CB   1 
ATOM   3269 C  CG   . LEU B 1 98  ? -14.52669 -13.49342 34.55518 1.000 15.61022 ? 94  LEU B CG   1 
ATOM   3270 C  CD1  . LEU B 1 98  ? -14.11258 -14.69101 33.72950 1.000 15.23606 ? 94  LEU B CD1  1 
ATOM   3271 C  CD2  . LEU B 1 98  ? -13.73245 -12.27238 34.19253 1.000 16.07690 ? 94  LEU B CD2  1 
ATOM   3272 H  H    . LEU B 1 98  ? -18.41680 -12.88820 34.45195 1.000 20.34040 ? 94  LEU B H    1 
ATOM   3273 H  HA   . LEU B 1 98  ? -16.92374 -14.97759 34.12325 1.000 19.68926 ? 94  LEU B HA   1 
ATOM   3274 H  HB2  . LEU B 1 98  ? -16.14400 -12.93997 33.44481 1.000 19.28175 ? 94  LEU B HB2  1 
ATOM   3275 H  HB3  . LEU B 1 98  ? -16.19338 -12.38207 34.93199 1.000 19.28175 ? 94  LEU B HB3  1 
ATOM   3276 H  HG   . LEU B 1 98  ? -14.34710 -13.74050 35.47583 1.000 18.61444 ? 94  LEU B HG   1 
ATOM   3277 H  HD11 . LEU B 1 98  ? -13.14415 -14.72481 33.68576 1.000 18.16544 ? 94  LEU B HD11 1 
ATOM   3278 H  HD12 . LEU B 1 98  ? -14.45307 -15.49669 34.14885 1.000 18.16544 ? 94  LEU B HD12 1 
ATOM   3279 H  HD13 . LEU B 1 98  ? -14.48111 -14.60172 32.83669 1.000 18.16544 ? 94  LEU B HD13 1 
ATOM   3280 H  HD21 . LEU B 1 98  ? -12.78892 -12.46176 34.31415 1.000 19.31585 ? 94  LEU B HD21 1 
ATOM   3281 H  HD22 . LEU B 1 98  ? -13.90752 -12.04550 33.26583 1.000 19.31585 ? 94  LEU B HD22 1 
ATOM   3282 H  HD23 . LEU B 1 98  ? -13.99963 -11.53923 34.76873 1.000 19.31585 ? 94  LEU B HD23 1 
ATOM   3283 N  N    . ILE B 1 99  ? -17.09758 -14.03379 37.18260 1.000 16.91643 ? 95  ILE B N    1 
ATOM   3284 C  CA   . ILE B 1 99  ? -16.79788 -14.44739 38.54685 1.000 16.97534 ? 95  ILE B CA   1 
ATOM   3285 C  C    . ILE B 1 99  ? -17.49537 -15.75651 38.87392 1.000 17.17810 ? 95  ILE B C    1 
ATOM   3286 O  O    . ILE B 1 99  ? -16.92728 -16.62568 39.54632 1.000 17.57701 ? 95  ILE B O    1 
ATOM   3287 C  CB   . ILE B 1 99  ? -17.18926 -13.31966 39.51637 1.000 17.36077 ? 95  ILE B CB   1 
ATOM   3288 C  CG1  . ILE B 1 99  ? -16.13013 -12.22148 39.41923 1.000 17.04207 ? 95  ILE B CG1  1 
ATOM   3289 C  CG2  . ILE B 1 99  ? -17.35447 -13.87157 40.95496 1.000 17.59539 ? 95  ILE B CG2  1 
ATOM   3290 C  CD1  . ILE B 1 99  ? -16.53741 -10.92516 39.99713 1.000 17.39054 ? 95  ILE B CD1  1 
ATOM   3291 H  H    . ILE B 1 99  ? -17.53244 -13.29438 37.12132 1.000 20.18189 ? 95  ILE B H    1 
ATOM   3292 H  HA   . ILE B 1 99  ? -15.84474 -14.60549 38.63303 1.000 20.25257 ? 95  ILE B HA   1 
ATOM   3293 H  HB   . ILE B 1 99  ? -18.04883 -12.94122 39.27384 1.000 20.71510 ? 95  ILE B HB   1 
ATOM   3294 H  HG12 . ILE B 1 99  ? -15.33554 -12.51590 39.89129 1.000 20.33266 ? 95  ILE B HG12 1 
ATOM   3295 H  HG13 . ILE B 1 99  ? -15.92395 -12.07298 38.48310 1.000 20.33266 ? 95  ILE B HG13 1 
ATOM   3296 H  HG21 . ILE B 1 99  ? -17.37855 -13.12816 41.57758 1.000 20.99664 ? 95  ILE B HG21 1 
ATOM   3297 H  HG22 . ILE B 1 99  ? -18.18264 -14.37386 41.00733 1.000 20.99664 ? 95  ILE B HG22 1 
ATOM   3298 H  HG23 . ILE B 1 99  ? -16.60323 -14.45011 41.15946 1.000 20.99664 ? 95  ILE B HG23 1 
ATOM   3299 H  HD11 . ILE B 1 99  ? -15.85889 -10.26212 39.79490 1.000 20.75081 ? 95  ILE B HD11 1 
ATOM   3300 H  HD12 . ILE B 1 99  ? -17.38581 -10.65914 39.60939 1.000 20.75081 ? 95  ILE B HD12 1 
ATOM   3301 H  HD13 . ILE B 1 99  ? -16.62883 -11.02248 40.95790 1.000 20.75081 ? 95  ILE B HD13 1 
ATOM   3302 N  N    . ALA B 1 100 ? -18.74386 -15.91271 38.42240 1.000 17.56376 ? 96  ALA B N    1 
ATOM   3303 C  CA   . ALA B 1 100 ? -19.45444 -17.16766 38.64588 1.000 17.76137 ? 96  ALA B CA   1 
ATOM   3304 C  C    . ALA B 1 100 ? -18.72125 -18.31886 37.96699 1.000 17.98730 ? 96  ALA B C    1 
ATOM   3305 O  O    . ALA B 1 100 ? -18.59816 -19.41181 38.52668 1.000 17.24484 ? 96  ALA B O    1 
ATOM   3306 C  CB   . ALA B 1 100 ? -20.89354 -17.04287 38.12787 1.000 18.31202 ? 96  ALA B CB   1 
ATOM   3307 H  H    . ALA B 1 100 ? -19.19305 -15.31886 37.99209 1.000 20.95868 ? 96  ALA B H    1 
ATOM   3308 H  HA   . ALA B 1 100 ? -19.49985 -17.35852 39.59583 1.000 21.19581 ? 96  ALA B HA   1 
ATOM   3309 H  HB1  . ALA B 1 100 ? -21.34181 -17.89676 38.23199 1.000 21.99800 ? 96  ALA B HB1  1 
ATOM   3310 H  HB2  . ALA B 1 100 ? -21.35593 -16.36182 38.64096 1.000 21.99800 ? 96  ALA B HB2  1 
ATOM   3311 H  HB3  . ALA B 1 100 ? -20.87136 -16.79301 37.19087 1.000 21.99800 ? 96  ALA B HB3  1 
ATOM   3312 N  N    . TYR B 1 101 ? -18.20906 -18.09139 36.76598 1.000 16.94072 ? 97  TYR B N    1 
ATOM   3313 C  CA   . TYR B 1 101 ? -17.43267 -19.13751 36.12226 1.000 16.47234 ? 97  TYR B CA   1 
ATOM   3314 C  C    . TYR B 1 101 ? -16.16593 -19.45448 36.90664 1.000 16.09284 ? 97  TYR B C    1 
ATOM   3315 O  O    . TYR B 1 101 ? -15.86255 -20.62793 37.16773 1.000 17.13421 ? 97  TYR B O    1 
ATOM   3316 C  CB   . TYR B 1 101 ? -17.08465 -18.74270 34.69139 1.000 16.16168 ? 97  TYR B CB   1 
ATOM   3317 C  CG   . TYR B 1 101 ? -16.06937 -19.68733 34.09311 1.000 16.56187 ? 97  TYR B CG   1 
ATOM   3318 C  CD1  . TYR B 1 101 ? -16.43723 -20.96365 33.66191 1.000 15.59533 ? 97  TYR B CD1  1 
ATOM   3319 C  CD2  . TYR B 1 101 ? -14.73504 -19.32291 33.99091 1.000 15.13775 ? 97  TYR B CD2  1 
ATOM   3320 C  CE1  . TYR B 1 101 ? -15.50002 -21.82852 33.15337 1.000 15.10554 ? 97  TYR B CE1  1 
ATOM   3321 C  CE2  . TYR B 1 101 ? -13.80061 -20.18755 33.47795 1.000 14.64802 ? 97  TYR B CE2  1 
ATOM   3322 C  CZ   . TYR B 1 101 ? -14.18353 -21.43066 33.06243 1.000 16.39434 ? 97  TYR B CZ   1 
ATOM   3323 O  OH   . TYR B 1 101 ? -13.22425 -22.28005 32.53827 1.000 17.16166 ? 97  TYR B OH   1 
ATOM   3324 H  H    . TYR B 1 101 ? -18.29266 -17.36386 36.31507 1.000 20.21103 ? 97  TYR B H    1 
ATOM   3325 H  HA   . TYR B 1 101 ? -17.97806 -19.93899 36.08931 1.000 19.64898 ? 97  TYR B HA   1 
ATOM   3326 H  HB2  . TYR B 1 101 ? -17.88670 -18.76965 34.14652 1.000 19.27619 ? 97  TYR B HB2  1 
ATOM   3327 H  HB3  . TYR B 1 101 ? -16.71049 -17.84778 34.68698 1.000 19.27619 ? 97  TYR B HB3  1 
ATOM   3328 H  HD1  . TYR B 1 101 ? -17.32623 -21.23052 33.71983 1.000 18.59656 ? 97  TYR B HD1  1 
ATOM   3329 H  HD2  . TYR B 1 101 ? -14.46892 -18.47823 34.27480 1.000 18.04747 ? 97  TYR B HD2  1 
ATOM   3330 H  HE1  . TYR B 1 101 ? -15.75212 -22.67825 32.87177 1.000 18.00882 ? 97  TYR B HE1  1 
ATOM   3331 H  HE2  . TYR B 1 101 ? -12.90996 -19.92772 33.41363 1.000 17.49444 ? 97  TYR B HE2  1 
ATOM   3332 H  HH   . TYR B 1 101 ? -13.59261 -22.95210 32.19439 1.000 20.61756 ? 97  TYR B HH   1 
ATOM   3333 N  N    . LEU B 1 102 ? -15.40269 -18.42098 37.29189 1.000 16.35168 ? 98  LEU B N    1 
ATOM   3334 C  CA   . LEU B 1 102 ? -14.17160 -18.67040 38.04703 1.000 15.58536 ? 98  LEU B CA   1 
ATOM   3335 C  C    . LEU B 1 102 ? -14.45173 -19.45115 39.32430 1.000 17.52714 ? 98  LEU B C    1 
ATOM   3336 O  O    . LEU B 1 102 ? -13.66435 -20.32181 39.70184 1.000 15.95209 ? 98  LEU B O    1 
ATOM   3337 C  CB   . LEU B 1 102 ? -13.46842 -17.36381 38.39208 1.000 15.52134 ? 98  LEU B CB   1 
ATOM   3338 C  CG   . LEU B 1 102 ? -12.83840 -16.61061 37.22271 1.000 15.12931 ? 98  LEU B CG   1 
ATOM   3339 C  CD1  . LEU B 1 102 ? -12.33298 -15.24667 37.69283 1.000 18.58962 ? 98  LEU B CD1  1 
ATOM   3340 C  CD2  . LEU B 1 102 ? -11.68965 -17.44199 36.58790 1.000 15.95450 ? 98  LEU B CD2  1 
ATOM   3341 H  H    . LEU B 1 102 ? -15.56960 -17.59224 37.13402 1.000 19.64559 ? 98  LEU B H    1 
ATOM   3342 H  HA   . LEU B 1 102 ? -13.58018 -19.19203 37.48220 1.000 18.58460 ? 98  LEU B HA   1 
ATOM   3343 H  HB2  . LEU B 1 102 ? -14.11810 -16.76961 38.79921 1.000 18.64917 ? 98  LEU B HB2  1 
ATOM   3344 H  HB3  . LEU B 1 102 ? -12.75798 -17.56057 39.02253 1.000 18.64917 ? 98  LEU B HB3  1 
ATOM   3345 H  HG   . LEU B 1 102 ? -13.50670 -16.46620 36.53465 1.000 18.03734 ? 98  LEU B HG   1 
ATOM   3346 H  HD11 . LEU B 1 102 ? -11.83232 -14.83043 36.97382 1.000 22.33111 ? 98  LEU B HD11 1 
ATOM   3347 H  HD12 . LEU B 1 102 ? -13.09314 -14.69291 37.93034 1.000 22.33111 ? 98  LEU B HD12 1 
ATOM   3348 H  HD13 . LEU B 1 102 ? -11.76025 -15.37135 38.46570 1.000 22.33111 ? 98  LEU B HD13 1 
ATOM   3349 H  HD21 . LEU B 1 102 ? -11.28214 -16.92506 35.87543 1.000 19.16896 ? 98  LEU B HD21 1 
ATOM   3350 H  HD22 . LEU B 1 102 ? -11.03006 -17.64193 37.27045 1.000 19.16896 ? 98  LEU B HD22 1 
ATOM   3351 H  HD23 . LEU B 1 102 ? -12.05625 -18.26597 36.23072 1.000 19.16896 ? 98  LEU B HD23 1 
ATOM   3352 N  N    . LYS B 1 103 ? -15.55878 -19.13753 40.00928 1.000 16.36064 ? 99  LYS B N    1 
ATOM   3353 C  CA   . LYS B 1 103 ? -15.91711 -19.82123 41.25145 1.000 17.67042 ? 99  LYS B CA   1 
ATOM   3354 C  C    . LYS B 1 103 ? -16.07125 -21.31355 41.01099 1.000 20.66671 ? 99  LYS B C    1 
ATOM   3355 O  O    . LYS B 1 103 ? -15.58179 -22.13773 41.79789 1.000 23.69571 ? 99  LYS B O    1 
ATOM   3356 C  CB   . LYS B 1 103 ? -17.22014 -19.23020 41.79781 1.000 17.24314 ? 99  LYS B CB   1 
ATOM   3357 C  CG   . LYS B 1 103 ? -17.63187 -19.74551 43.19066 1.000 19.30617 ? 99  LYS B CG   1 
ATOM   3358 C  CD   . LYS B 1 103 ? -18.95206 -19.10871 43.62103 1.000 20.37443 ? 99  LYS B CD   1 
ATOM   3359 C  CE   . LYS B 1 103 ? -19.41385 -19.56959 44.99252 1.000 24.48103 ? 99  LYS B CE   1 
ATOM   3360 N  NZ   . LYS B 1 103 ? -18.39384 -19.26200 46.02792 1.000 34.95873 ? 99  LYS B NZ   1 
ATOM   3361 H  H    . LYS B 1 103 ? -16.12135 -18.53048 39.77560 1.000 19.51494 ? 99  LYS B H    1 
ATOM   3362 H  HA   . LYS B 1 103 ? -15.21969 -19.68776 41.91227 1.000 21.22808 ? 99  LYS B HA   1 
ATOM   3363 H  HB2  . LYS B 1 103 ? -17.11814 -18.26770 41.86169 1.000 20.57393 ? 99  LYS B HB2  1 
ATOM   3364 H  HB3  . LYS B 1 103 ? -17.93802 -19.44766 41.18279 1.000 20.57393 ? 99  LYS B HB3  1 
ATOM   3365 H  HG2  . LYS B 1 103 ? -17.74699 -20.70820 43.16123 1.000 23.19097 ? 99  LYS B HG2  1 
ATOM   3366 H  HG3  . LYS B 1 103 ? -16.94928 -19.51270 43.83934 1.000 23.19097 ? 99  LYS B HG3  1 
ATOM   3367 H  HD2  . LYS B 1 103 ? -18.84277 -18.14535 43.65100 1.000 24.47288 ? 99  LYS B HD2  1 
ATOM   3368 H  HD3  . LYS B 1 103 ? -19.64021 -19.34473 42.97944 1.000 24.47288 ? 99  LYS B HD3  1 
ATOM   3369 H  HE2  . LYS B 1 103 ? -20.23691 -19.11285 45.22675 1.000 29.40080 ? 99  LYS B HE2  1 
ATOM   3370 H  HE3  . LYS B 1 103 ? -19.55882 -20.52861 44.97932 1.000 29.40080 ? 99  LYS B HE3  1 
ATOM   3371 H  HZ1  . LYS B 1 103 ? -18.69422 -19.49979 46.83124 1.000 41.97404 ? 99  LYS B HZ1  1 
ATOM   3372 H  HZ2  . LYS B 1 103 ? -17.64259 -19.70753 45.85695 1.000 41.97404 ? 99  LYS B HZ2  1 
ATOM   3373 H  HZ3  . LYS B 1 103 ? -18.21772 -18.38961 46.03201 1.000 41.97404 ? 99  LYS B HZ3  1 
ATOM   3374 N  N    . SER B 1 104 ? -16.71638 -21.67969 39.90474 1.000 17.09910 ? 100 SER B N    1 
ATOM   3375 C  CA   . SER B 1 104 ? -16.90917 -23.09070 39.58682 1.000 20.16401 ? 100 SER B CA   1 
ATOM   3376 C  C    . SER B 1 104 ? -15.61234 -23.73250 39.09487 1.000 18.95616 ? 100 SER B C    1 
ATOM   3377 O  O    . SER B 1 104 ? -15.26443 -24.85201 39.49245 1.000 21.68631 ? 100 SER B O    1 
ATOM   3378 C  CB   . SER B 1 104 ? -17.99298 -23.20979 38.51518 1.000 26.64779 ? 100 SER B CB   1 
ATOM   3379 O  OG   . SER B 1 104 ? -18.21229 -24.55271 38.13786 1.000 29.74280 ? 100 SER B OG   1 
ATOM   3380 H  H    . SER B 1 104 ? -17.04969 -21.13782 39.32606 1.000 20.54249 ? 100 SER B H    1 
ATOM   3381 H  HA   . SER B 1 104 ? -17.19254 -23.56502 40.38408 1.000 24.22038 ? 100 SER B HA   1 
ATOM   3382 H  HB2  . SER B 1 104 ? -18.82043 -22.84545 38.86658 1.000 32.00091 ? 100 SER B HB2  1 
ATOM   3383 H  HB3  . SER B 1 104 ? -17.71498 -22.70756 37.73327 1.000 32.00091 ? 100 SER B HB3  1 
ATOM   3384 H  HG   . SER B 1 104 ? -17.50556 -24.88257 37.82589 1.000 35.71492 ? 100 SER B HG   1 
ATOM   3385 N  N    . ALA B 1 105 ? -14.88302 -23.04413 38.21739 1.000 17.51243 ? 101 ALA B N    1 
ATOM   3386 C  CA   . ALA B 1 105 ? -13.77730 -23.68174 37.51346 1.000 15.14452 ? 101 ALA B CA   1 
ATOM   3387 C  C    . ALA B 1 105 ? -12.48113 -23.75126 38.30933 1.000 15.30444 ? 101 ALA B C    1 
ATOM   3388 O  O    . ALA B 1 105 ? -11.60200 -24.55494 37.96820 1.000 20.80876 ? 101 ALA B O    1 
ATOM   3389 C  CB   . ALA B 1 105 ? -13.53081 -22.91007 36.22778 1.000 15.60881 ? 101 ALA B CB   1 
ATOM   3390 H  H    . ALA B 1 105 ? -15.00735 -22.21751 38.01527 1.000 21.03848 ? 101 ALA B H    1 
ATOM   3391 H  HA   . ALA B 1 105 ? -14.02328 -24.59884 37.31521 1.000 18.19698 ? 101 ALA B HA   1 
ATOM   3392 H  HB1  . ALA B 1 105 ? -12.76433 -23.29200 35.77222 1.000 18.75413 ? 101 ALA B HB1  1 
ATOM   3393 H  HB2  . ALA B 1 105 ? -14.31741 -22.97617 35.66404 1.000 18.75413 ? 101 ALA B HB2  1 
ATOM   3394 H  HB3  . ALA B 1 105 ? -13.35703 -21.98093 36.44550 1.000 18.75413 ? 101 ALA B HB3  1 
ATOM   3395 N  N    . THR B 1 106 ? -12.30344 -22.91396 39.31577 1.000 16.96289 ? 102 THR B N    1 
ATOM   3396 C  CA   . THR B 1 106 ? -11.06436 -22.90845 40.08288 1.000 17.47203 ? 102 THR B CA   1 
ATOM   3397 C  C    . THR B 1 106 ? -11.16498 -23.69720 41.36754 1.000 20.34659 ? 102 THR B C    1 
ATOM   3398 O  O    . THR B 1 106 ? -10.22521 -23.67194 42.16107 1.000 20.29608 ? 102 THR B O    1 
ATOM   3399 C  CB   . THR B 1 106 ? -10.60037 -21.48364 40.38811 1.000 14.81866 ? 102 THR B CB   1 
ATOM   3400 O  OG1  . THR B 1 106 ? -11.54102 -20.82986 41.23449 1.000 16.02164 ? 102 THR B OG1  1 
ATOM   3401 C  CG2  . THR B 1 106 ? -10.46338 -20.68830 39.10105 1.000 17.66313 ? 102 THR B CG2  1 
ATOM   3402 H  H    . THR B 1 106 ? -12.88638 -22.33745 39.57544 1.000 20.37903 ? 102 THR B H    1 
ATOM   3403 H  HA   . THR B 1 106 ? -10.38248 -23.31868 39.52822 1.000 20.99000 ? 102 THR B HA   1 
ATOM   3404 H  HB   . THR B 1 106 ? -9.73942  -21.51933 40.83353 1.000 17.80596 ? 102 THR B HB   1 
ATOM   3405 H  HG1  . THR B 1 106 ? -12.30154 -20.83654 40.87788 1.000 19.24954 ? 102 THR B HG1  1 
ATOM   3406 H  HG21 . THR B 1 106 ? -10.24977 -19.76400 39.30336 1.000 21.21933 ? 102 THR B HG21 1 
ATOM   3407 H  HG22 . THR B 1 106 ? -9.75541  -21.06245 38.55361 1.000 21.21933 ? 102 THR B HG22 1 
ATOM   3408 H  HG23 . THR B 1 106 ? -11.29522 -20.71740 38.60295 1.000 21.21933 ? 102 THR B HG23 1 
ATOM   3409 N  N    . LYS B 1 107 ? -12.27925 -24.38649 41.59056 1.000 27.43671 ? 103 LYS B N    1 
ATOM   3410 C  CA   . LYS B 1 107 ? -12.51324 -25.08202 42.84358 1.000 33.89261 ? 103 LYS B CA   1 
ATOM   3411 C  C    . LYS B 1 107 ? -11.61468 -26.31050 42.92454 1.000 52.88052 ? 103 LYS B C    1 
ATOM   3412 O  O    . LYS B 1 107 ? -11.40633 -27.00692 41.92954 1.000 47.75546 ? 103 LYS B O    1 
ATOM   3413 C  CB   . LYS B 1 107 ? -13.98873 -25.47867 42.93737 1.000 37.21283 ? 103 LYS B CB   1 
ATOM   3414 C  CG   . LYS B 1 107 ? -14.56609 -25.43374 44.33965 1.000 58.46195 ? 103 LYS B CG   1 
ATOM   3415 C  CD   . LYS B 1 107 ? -16.08743 -25.52407 44.31946 1.000 59.22676 ? 103 LYS B CD   1 
ATOM   3416 C  CE   . LYS B 1 107 ? -16.71700 -24.19090 43.94311 1.000 59.15466 ? 103 LYS B CE   1 
ATOM   3417 N  NZ   . LYS B 1 107 ? -18.19532 -24.27309 43.80297 1.000 73.21828 ? 103 LYS B NZ   1 
ATOM   3418 O  OXT  . LYS B 1 107 ? -11.07012 -26.62749 43.98565 1.000 55.50791 ? 103 LYS B OXT  1 
ATOM   3419 H  H    . LYS B 1 107 ? -12.92075 -24.46566 41.02328 1.000 32.94762 ? 103 LYS B H    1 
ATOM   3420 H  HA   . LYS B 1 107 ? -12.31016 -24.50966 43.59993 1.000 40.69470 ? 103 LYS B HA   1 
ATOM   3421 H  HB2  . LYS B 1 107 ? -14.50736 -24.87056 42.38770 1.000 44.67896 ? 103 LYS B HB2  1 
ATOM   3422 H  HB3  . LYS B 1 107 ? -14.08569 -26.38656 42.60989 1.000 44.67896 ? 103 LYS B HB3  1 
ATOM   3423 H  HG2  . LYS B 1 107 ? -14.22289 -26.18199 44.85272 1.000 70.17791 ? 103 LYS B HG2  1 
ATOM   3424 H  HG3  . LYS B 1 107 ? -14.31575 -24.59805 44.76373 1.000 70.17791 ? 103 LYS B HG3  1 
ATOM   3425 H  HD2  . LYS B 1 107 ? -16.36184 -26.18662 43.66630 1.000 71.09568 ? 103 LYS B HD2  1 
ATOM   3426 H  HD3  . LYS B 1 107 ? -16.40665 -25.77468 45.20048 1.000 71.09568 ? 103 LYS B HD3  1 
ATOM   3427 H  HE2  . LYS B 1 107 ? -16.51698 -23.54018 44.63409 1.000 71.00915 ? 103 LYS B HE2  1 
ATOM   3428 H  HE3  . LYS B 1 107 ? -16.35121 -23.89657 43.09431 1.000 71.00915 ? 103 LYS B HE3  1 
ATOM   3429 H  HZ1  . LYS B 1 107 ? -18.54260 -23.45498 43.75618 1.000 87.88551 ? 103 LYS B HZ1  1 
ATOM   3430 H  HZ2  . LYS B 1 107 ? -18.40655 -24.71932 43.06246 1.000 87.88551 ? 103 LYS B HZ2  1 
ATOM   3431 H  HZ3  . LYS B 1 107 ? -18.54455 -24.69543 44.50424 1.000 87.88551 ? 103 LYS B HZ3  1 
HETATM 3432 FE FE   . HEC C 2 .   ? -8.38004  -8.18286  14.05608 1.000 7.82295  ? 201 HEC A FE   1 
HETATM 3433 C  CHA  . HEC C 2 .   ? -9.06700  -6.29313  11.26445 1.000 6.09380  ? 201 HEC A CHA  1 
HETATM 3434 C  CHB  . HEC C 2 .   ? -7.60473  -10.83426 12.09135 1.000 8.58949  ? 201 HEC A CHB  1 
HETATM 3435 C  CHC  . HEC C 2 .   ? -7.26161  -9.90814  16.80248 1.000 9.65002  ? 201 HEC A CHC  1 
HETATM 3436 C  CHD  . HEC C 2 .   ? -9.54766  -5.68978  16.05187 1.000 7.68235  ? 201 HEC A CHD  1 
HETATM 3437 N  NA   . HEC C 2 .   ? -8.34225  -8.49854  12.05939 1.000 7.73298  ? 201 HEC A NA   1 
HETATM 3438 C  C1A  . HEC C 2 .   ? -8.59557  -7.60873  11.06317 1.000 6.57906  ? 201 HEC A C1A  1 
HETATM 3439 C  C2A  . HEC C 2 .   ? -8.40349  -8.21476  9.79069  1.000 7.76731  ? 201 HEC A C2A  1 
HETATM 3440 C  C3A  . HEC C 2 .   ? -8.02522  -9.52006  10.04599 1.000 9.27640  ? 201 HEC A C3A  1 
HETATM 3441 C  C4A  . HEC C 2 .   ? -7.93500  -9.64431  11.45288 1.000 8.91556  ? 201 HEC A C4A  1 
HETATM 3442 C  CMA  . HEC C 2 .   ? -7.66628  -10.58315 9.02573  1.000 7.92198  ? 201 HEC A CMA  1 
HETATM 3443 C  CAA  . HEC C 2 .   ? -8.61587  -7.52941  8.42271  1.000 7.75952  ? 201 HEC A CAA  1 
HETATM 3444 C  CBA  . HEC C 2 .   ? -10.06072 -7.81067  8.03394  1.000 7.15885  ? 201 HEC A CBA  1 
HETATM 3445 C  CGA  . HEC C 2 .   ? -10.51764 -7.23043  6.70731  1.000 9.97827  ? 201 HEC A CGA  1 
HETATM 3446 O  O1A  . HEC C 2 .   ? -9.74592  -6.52561  6.01316  1.000 7.90260  ? 201 HEC A O1A  1 
HETATM 3447 O  O2A  . HEC C 2 .   ? -11.73100 -7.45982  6.38560  1.000 9.02056  ? 201 HEC A O2A  1 
HETATM 3448 N  NB   . HEC C 2 .   ? -7.54898  -9.98363  14.38318 1.000 7.96846  ? 201 HEC A NB   1 
HETATM 3449 C  C1B  . HEC C 2 .   ? -7.55940  -11.00082 13.48269 1.000 7.97779  ? 201 HEC A C1B  1 
HETATM 3450 C  C2B  . HEC C 2 .   ? -7.10327  -12.21374 14.09200 1.000 8.13233  ? 201 HEC A C2B  1 
HETATM 3451 C  C3B  . HEC C 2 .   ? -6.86267  -11.92753 15.43423 1.000 7.95271  ? 201 HEC A C3B  1 
HETATM 3452 C  C4B  . HEC C 2 .   ? -7.17738  -10.53989 15.57964 1.000 7.27207  ? 201 HEC A C4B  1 
HETATM 3453 C  CMB  . HEC C 2 .   ? -6.97776  -13.51722 13.34770 1.000 8.82908  ? 201 HEC A CMB  1 
HETATM 3454 C  CAB  . HEC C 2 .   ? -6.25955  -12.83685 16.51856 1.000 9.24171  ? 201 HEC A CAB  1 
HETATM 3455 C  CBB  . HEC C 2 .   ? -4.81410  -13.22767 16.21055 1.000 8.09615  ? 201 HEC A CBB  1 
HETATM 3456 N  NC   . HEC C 2 .   ? -8.38220  -7.85855  16.01926 1.000 7.47028  ? 201 HEC A NC   1 
HETATM 3457 C  C1C  . HEC C 2 .   ? -7.81846  -8.63438  17.00146 1.000 9.32008  ? 201 HEC A C1C  1 
HETATM 3458 C  C2C  . HEC C 2 .   ? -8.06869  -8.10903  18.30909 1.000 10.46982 ? 201 HEC A C2C  1 
HETATM 3459 C  C3C  . HEC C 2 .   ? -8.80953  -6.95678  18.07249 1.000 8.37718  ? 201 HEC A C3C  1 
HETATM 3460 C  C4C  . HEC C 2 .   ? -8.93757  -6.78508  16.67254 1.000 8.45002  ? 201 HEC A C4C  1 
HETATM 3461 C  CMC  . HEC C 2 .   ? -7.70177  -8.70492  19.65182 1.000 12.88625 ? 201 HEC A CMC  1 
HETATM 3462 C  CAC  . HEC C 2 .   ? -9.51789  -6.10501  19.12396 1.000 8.23574  ? 201 HEC A CAC  1 
HETATM 3463 C  CBC  . HEC C 2 .   ? -8.67339  -5.55969  20.26527 1.000 10.52891 ? 201 HEC A CBC  1 
HETATM 3464 N  ND   . HEC C 2 .   ? -9.18182  -6.31479  13.72474 1.000 6.72972  ? 201 HEC A ND   1 
HETATM 3465 C  C1D  . HEC C 2 .   ? -9.55479  -5.43771  14.68916 1.000 7.59048  ? 201 HEC A C1D  1 
HETATM 3466 C  C2D  . HEC C 2 .   ? -9.99828  -4.23096  14.06468 1.000 7.97209  ? 201 HEC A C2D  1 
HETATM 3467 C  C3D  . HEC C 2 .   ? -9.95610  -4.45709  12.71073 1.000 7.96906  ? 201 HEC A C3D  1 
HETATM 3468 C  C4D  . HEC C 2 .   ? -9.35127  -5.73228  12.50741 1.000 7.42928  ? 201 HEC A C4D  1 
HETATM 3469 C  CMD  . HEC C 2 .   ? -10.62086 -3.02830  14.73656 1.000 11.12335 ? 201 HEC A CMD  1 
HETATM 3470 C  CAD  . HEC C 2 .   ? -10.20511 -3.40168  11.62711 1.000 7.52109  ? 201 HEC A CAD  1 
HETATM 3471 C  CBD  . HEC C 2 .   ? -8.91549  -2.64437  11.33329 1.000 8.96689  ? 201 HEC A CBD  1 
HETATM 3472 C  CGD  . HEC C 2 .   ? -9.00121  -1.37679  10.51160 1.000 9.07601  ? 201 HEC A CGD  1 
HETATM 3473 O  O1D  . HEC C 2 .   ? -10.10541 -1.03278  10.01042 1.000 9.87092  ? 201 HEC A O1D  1 
HETATM 3474 O  O2D  . HEC C 2 .   ? -7.93184  -0.72906  10.35567 1.000 8.42169  ? 201 HEC A O2D  1 
HETATM 3475 H  HHA  . HEC C 2 .   ? -9.20427  -5.73363  10.47166 1.000 7.33613  ? 201 HEC A HHA  1 
HETATM 3476 H  HHB  . HEC C 2 .   ? -7.38906  -11.60888 11.53111 1.000 10.33096 ? 201 HEC A HHB  1 
HETATM 3477 H  HHC  . HEC C 2 .   ? -6.90901  -10.38000 17.58569 1.000 11.60359 ? 201 HEC A HHC  1 
HETATM 3478 H  HHD  . HEC C 2 .   ? -10.00897 -5.04642  16.62951 1.000 9.24238  ? 201 HEC A HHD  1 
HETATM 3479 H  HMA1 . HEC C 2 .   ? -6.86368  -11.06192 9.32071  1.000 9.52995  ? 201 HEC A HMA1 1 
HETATM 3480 H  HMA2 . HEC C 2 .   ? -7.49342  -10.15967 8.15903  1.000 9.52995  ? 201 HEC A HMA2 1 
HETATM 3481 H  HMA3 . HEC C 2 .   ? -8.40945  -11.21581 8.93723  1.000 9.52995  ? 201 HEC A HMA3 1 
HETATM 3482 H  HAA1 . HEC C 2 .   ? -8.01054  -7.90078  7.76198  1.000 9.33499  ? 201 HEC A HAA1 1 
HETATM 3483 H  HAA2 . HEC C 2 .   ? -8.46678  -6.57387  8.49759  1.000 9.33499  ? 201 HEC A HAA2 1 
HETATM 3484 H  HBA1 . HEC C 2 .   ? -10.63122 -7.44707  8.72908  1.000 8.61418  ? 201 HEC A HBA1 1 
HETATM 3485 H  HBA2 . HEC C 2 .   ? -10.17475 -8.77303  7.99191  1.000 8.61418  ? 201 HEC A HBA2 1 
HETATM 3486 H  HMB1 . HEC C 2 .   ? -7.79912  -14.02449 13.44229 1.000 10.61846 ? 201 HEC A HMB1 1 
HETATM 3487 H  HMB2 . HEC C 2 .   ? -6.23864  -14.02856 13.71258 1.000 10.61846 ? 201 HEC A HMB2 1 
HETATM 3488 H  HMB3 . HEC C 2 .   ? -6.81457  -13.33924 12.40824 1.000 10.61846 ? 201 HEC A HMB3 1 
HETATM 3489 H  HAB  . HEC C 2 .   ? -6.28364  -12.37483 17.35972 1.000 11.11362 ? 201 HEC A HAB  1 
HETATM 3490 H  HBB1 . HEC C 2 .   ? -4.25603  -12.43566 16.25716 1.000 9.73895  ? 201 HEC A HBB1 1 
HETATM 3491 H  HBB2 . HEC C 2 .   ? -4.77311  -13.60925 15.31970 1.000 9.73895  ? 201 HEC A HBB2 1 
HETATM 3492 H  HBB3 . HEC C 2 .   ? -4.51736  -13.88032 16.86392 1.000 9.73895  ? 201 HEC A HBB3 1 
HETATM 3493 H  HMC1 . HEC C 2 .   ? -8.47703  -8.69172  20.23466 1.000 15.48707 ? 201 HEC A HMC1 1 
HETATM 3494 H  HMC2 . HEC C 2 .   ? -6.98767  -8.18495  20.05256 1.000 15.48707 ? 201 HEC A HMC2 1 
HETATM 3495 H  HMC3 . HEC C 2 .   ? -7.40521  -9.62036  19.52965 1.000 15.48707 ? 201 HEC A HMC3 1 
HETATM 3496 H  HAC  . HEC C 2 .   ? -9.92671  -5.36080  18.67606 1.000 9.90645  ? 201 HEC A HAC  1 
HETATM 3497 H  HBC1 . HEC C 2 .   ? -9.17661  -4.87320  20.73046 1.000 12.65826 ? 201 HEC A HBC1 1 
HETATM 3498 H  HBC2 . HEC C 2 .   ? -7.85705  -5.18237  19.90179 1.000 12.65826 ? 201 HEC A HBC2 1 
HETATM 3499 H  HBC3 . HEC C 2 .   ? -8.46045  -6.28382  20.87453 1.000 12.65826 ? 201 HEC A HBC3 1 
HETATM 3500 H  HMD1 . HEC C 2 .   ? -11.40060 -2.73303  14.22157 1.000 13.37159 ? 201 HEC A HMD1 1 
HETATM 3501 H  HMD2 . HEC C 2 .   ? -9.96462  -2.30178  14.78025 1.000 13.37159 ? 201 HEC A HMD2 1 
HETATM 3502 H  HMD3 . HEC C 2 .   ? -10.90153 -3.26935  15.64404 1.000 13.37159 ? 201 HEC A HMD3 1 
HETATM 3503 H  HAD1 . HEC C 2 .   ? -10.88101 -2.77791  11.93529 1.000 9.04888  ? 201 HEC A HAD1 1 
HETATM 3504 H  HAD2 . HEC C 2 .   ? -10.51278 -3.83861  10.81758 1.000 9.04888  ? 201 HEC A HAD2 1 
HETATM 3505 H  HBD1 . HEC C 2 .   ? -8.32577  -3.25323  10.86168 1.000 10.78383 ? 201 HEC A HBD1 1 
HETATM 3506 H  HBD2 . HEC C 2 .   ? -8.52059  -2.40729  12.18697 1.000 10.78383 ? 201 HEC A HBD2 1 
HETATM 3507 C  C    . MOH D 3 .   ? -13.59059 -25.26897 12.33149 1.000 27.61821 ? 202 MOH A C    1 
HETATM 3508 O  O    . MOH D 3 .   ? -12.55060 -26.20442 12.55229 1.000 38.37434 ? 202 MOH A O    1 
HETATM 3509 H  H1   . MOH D 3 .   ? -13.17221 -24.31901 12.12167 1.000 33.16541 ? 202 MOH A H1   1 
HETATM 3510 H  H2   . MOH D 3 .   ? -14.19685 -25.20425 13.19737 1.000 33.16541 ? 202 MOH A H2   1 
HETATM 3511 H  H3   . MOH D 3 .   ? -14.18037 -25.58413 11.51033 1.000 33.16541 ? 202 MOH A H3   1 
HETATM 3512 H  HO   . MOH D 3 .   ? -12.12682 -26.41996 11.71025 1.000 46.07278 ? 202 MOH A HO   1 
HETATM 3513 C  C1   . EOH E 4 .   ? 1.41870   2.33953   12.55221 1.000 20.73194 ? 203 EOH A C1   1 
HETATM 3514 C  C2   . EOH E 4 .   ? 2.62552   2.99777   13.16556 1.000 29.91658 ? 203 EOH A C2   1 
HETATM 3515 O  O    . EOH E 4 .   ? 0.27661   2.51255   13.39219 1.000 33.95128 ? 203 EOH A O    1 
HETATM 3516 H  H11  . EOH E 4 .   ? 1.61328   1.27412   12.41258 1.000 24.90190 ? 203 EOH A H11  1 
HETATM 3517 H  H12  . EOH E 4 .   ? 1.22179   2.77619   11.57088 1.000 24.90190 ? 203 EOH A H12  1 
HETATM 3518 H  H21  . EOH E 4 .   ? 3.46370   2.85688   12.53383 1.000 35.92346 ? 203 EOH A H21  1 
HETATM 3519 H  H22  . EOH E 4 .   ? 2.82043   2.56536   14.11240 1.000 35.92346 ? 203 EOH A H22  1 
HETATM 3520 H  H23  . EOH E 4 .   ? 2.44139   4.03413   13.28192 1.000 35.92346 ? 203 EOH A H23  1 
HETATM 3521 H  HO   . EOH E 4 .   ? -0.25170  1.70263   13.38874 1.000 40.76510 ? 203 EOH A HO   1 
HETATM 3522 FE FE   . HEC F 2 .   ? -4.59747  -11.68278 35.14975 1.000 12.06814 ? 201 HEC B FE   1 
HETATM 3523 C  CHA  . HEC F 2 .   ? -2.73463  -11.57041 38.04596 1.000 14.21460 ? 201 HEC B CHA  1 
HETATM 3524 C  CHB  . HEC F 2 .   ? -7.36153  -12.54185 36.89089 1.000 10.71001 ? 201 HEC B CHB  1 
HETATM 3525 C  CHC  . HEC F 2 .   ? -6.55896  -11.15874 32.33758 1.000 11.84012 ? 201 HEC B CHC  1 
HETATM 3526 C  CHD  . HEC F 2 .   ? -1.75268  -11.39027 33.33324 1.000 12.88461 ? 201 HEC B CHD  1 
HETATM 3527 N  NA   . HEC F 2 .   ? -4.99394  -11.90471 37.10189 1.000 9.06871  ? 201 HEC B NA   1 
HETATM 3528 C  C1A  . HEC F 2 .   ? -4.08382  -11.87649 38.13559 1.000 12.92030 ? 201 HEC B C1A  1 
HETATM 3529 C  C2A  . HEC F 2 .   ? -4.75968  -12.16462 39.34910 1.000 13.05691 ? 201 HEC B C2A  1 
HETATM 3530 C  C3A  . HEC F 2 .   ? -6.10751  -12.39019 39.04034 1.000 10.87662 ? 201 HEC B C3A  1 
HETATM 3531 C  C4A  . HEC F 2 .   ? -6.18057  -12.36898 37.60949 1.000 12.18111 ? 201 HEC B C4A  1 
HETATM 3532 C  CMA  . HEC F 2 .   ? -7.19087  -12.76154 40.01619 1.000 14.64522 ? 201 HEC B CMA  1 
HETATM 3533 C  CAA  . HEC F 2 .   ? -4.09427  -12.22811 40.73972 1.000 12.99270 ? 201 HEC B CAA  1 
HETATM 3534 C  CBA  . HEC F 2 .   ? -3.63003  -13.64598 41.05683 1.000 12.32383 ? 201 HEC B CBA  1 
HETATM 3535 C  CGA  . HEC F 2 .   ? -3.08246  -13.84597 42.44772 1.000 13.75473 ? 201 HEC B CGA  1 
HETATM 3536 O  O1A  . HEC F 2 .   ? -2.97198  -12.84947 43.23174 1.000 12.29222 ? 201 HEC B O1A  1 
HETATM 3537 O  O2A  . HEC F 2 .   ? -2.68398  -15.01607 42.68593 1.000 15.63943 ? 201 HEC B O2A  1 
HETATM 3538 N  NB   . HEC F 2 .   ? -6.58218  -11.87405 34.66739 1.000 14.61250 ? 201 HEC B NB   1 
HETATM 3539 C  C1B  . HEC F 2 .   ? -7.54984  -12.27033 35.53170 1.000 10.79562 ? 201 HEC B C1B  1 
HETATM 3540 C  C2B  . HEC F 2 .   ? -8.81678  -12.46360 34.88673 1.000 11.79811 ? 201 HEC B C2B  1 
HETATM 3541 C  C3B  . HEC F 2 .   ? -8.59380  -12.03735 33.56972 1.000 9.12046  ? 201 HEC B C3B  1 
HETATM 3542 C  C4B  . HEC F 2 .   ? -7.23541  -11.60974 33.48726 1.000 9.20973  ? 201 HEC B C4B  1 
HETATM 3543 C  CMB  . HEC F 2 .   ? -10.06857 -13.09382 35.44591 1.000 10.87314 ? 201 HEC B CMB  1 
HETATM 3544 C  CAB  . HEC F 2 .   ? -9.63420  -11.86308 32.43959 1.000 12.83037 ? 201 HEC B CAB  1 
HETATM 3545 C  CBB  . HEC F 2 .   ? -10.64032 -10.74334 32.80901 1.000 11.73645 ? 201 HEC B CBB  1 
HETATM 3546 N  NC   . HEC F 2 .   ? -4.22542  -11.43460 33.20561 1.000 10.48955 ? 201 HEC B NC   1 
HETATM 3547 C  C1C  . HEC F 2 .   ? -5.15425  -11.15704 32.21468 1.000 12.57262 ? 201 HEC B C1C  1 
HETATM 3548 C  C2C  . HEC F 2 .   ? -4.45632  -10.89904 30.99181 1.000 12.95017 ? 201 HEC B C2C  1 
HETATM 3549 C  C3C  . HEC F 2 .   ? -3.09971  -11.07208 31.25669 1.000 13.52407 ? 201 HEC B C3C  1 
HETATM 3550 C  C4C  . HEC F 2 .   ? -2.97486  -11.30986 32.65976 1.000 12.18541 ? 201 HEC B C4C  1 
HETATM 3551 C  CMC  . HEC F 2 .   ? -5.13251  -10.78479 29.64727 1.000 15.60835 ? 201 HEC B CMC  1 
HETATM 3552 C  CAC  . HEC F 2 .   ? -1.97952  -11.24111 30.23449 1.000 13.71796 ? 201 HEC B CAC  1 
HETATM 3553 C  CBC  . HEC F 2 .   ? -1.91165  -10.08862 29.20337 1.000 11.13209 ? 201 HEC B CBC  1 
HETATM 3554 N  ND   . HEC F 2 .   ? -2.60140  -11.61567 35.63360 1.000 12.69665 ? 201 HEC B ND   1 
HETATM 3555 C  C1D  . HEC F 2 .   ? -1.58557  -11.43907 34.72135 1.000 11.79607 ? 201 HEC B C1D  1 
HETATM 3556 C  C2D  . HEC F 2 .   ? -0.33408  -11.33012 35.38000 1.000 10.95660 ? 201 HEC B C2D  1 
HETATM 3557 C  C3D  . HEC F 2 .   ? -0.59469  -11.47100 36.74570 1.000 10.98126 ? 201 HEC B C3D  1 
HETATM 3558 C  C4D  . HEC F 2 .   ? -2.00700  -11.59051 36.86268 1.000 10.84220 ? 201 HEC B C4D  1 
HETATM 3559 C  CMD  . HEC F 2 .   ? 1.00985   -11.04816 34.75007 1.000 15.16887 ? 201 HEC B CMD  1 
HETATM 3560 C  CAD  . HEC F 2 .   ? 0.41025   -11.23481 37.88507 1.000 14.78497 ? 201 HEC B CAD  1 
HETATM 3561 C  CBD  . HEC F 2 .   ? 0.43814   -9.75032  38.19127 1.000 15.54443 ? 201 HEC B CBD  1 
HETATM 3562 C  CGD  . HEC F 2 .   ? 1.57998   -9.34149  39.07683 1.000 18.27935 ? 201 HEC B CGD  1 
HETATM 3563 O  O1D  . HEC F 2 .   ? 2.33334   -10.21594 39.61191 1.000 15.05116 ? 201 HEC B O1D  1 
HETATM 3564 O  O2D  . HEC F 2 .   ? 1.60030   -8.11212  39.33084 1.000 16.23913 ? 201 HEC B O2D  1 
HETATM 3565 H  HHA  . HEC F 2 .   ? -2.26428  -11.32421 38.86971 1.000 17.08109 ? 201 HEC B HHA  1 
HETATM 3566 H  HHB  . HEC F 2 .   ? -8.13438  -12.88673 37.38502 1.000 12.87558 ? 201 HEC B HHB  1 
HETATM 3567 H  HHC  . HEC F 2 .   ? -7.09186  -10.82908 31.58409 1.000 14.23171 ? 201 HEC B HHC  1 
HETATM 3568 H  HHD  . HEC F 2 .   ? -0.94107  -11.41461 32.78452 1.000 15.48510 ? 201 HEC B HHD  1 
HETATM 3569 H  HMA1 . HEC F 2 .   ? -7.78573  -11.99466 40.15200 1.000 17.59783 ? 201 HEC B HMA1 1 
HETATM 3570 H  HMA2 . HEC F 2 .   ? -6.78699  -13.01665 40.87187 1.000 17.59783 ? 201 HEC B HMA2 1 
HETATM 3571 H  HMA3 . HEC F 2 .   ? -7.70652  -13.51552 39.66119 1.000 17.59783 ? 201 HEC B HMA3 1 
HETATM 3572 H  HAA1 . HEC F 2 .   ? -4.73485  -11.94614 41.41133 1.000 15.61481 ? 201 HEC B HAA1 1 
HETATM 3573 H  HAA2 . HEC F 2 .   ? -3.32842  -11.63296 40.75266 1.000 15.61481 ? 201 HEC B HAA2 1 
HETATM 3574 H  HBA1 . HEC F 2 .   ? -2.93436  -13.88258 40.42361 1.000 14.81216 ? 201 HEC B HBA1 1 
HETATM 3575 H  HBA2 . HEC F 2 .   ? -4.38702  -14.24187 40.94384 1.000 14.81216 ? 201 HEC B HBA2 1 
HETATM 3576 H  HMB1 . HEC F 2 .   ? -10.64508 -13.37098 34.71672 1.000 13.07134 ? 201 HEC B HMB1 1 
HETATM 3577 H  HMB2 . HEC F 2 .   ? -10.53595 -12.44918 35.99990 1.000 13.07134 ? 201 HEC B HMB2 1 
HETATM 3578 H  HMB3 . HEC F 2 .   ? -9.83054  -13.86701 35.98110 1.000 13.07134 ? 201 HEC B HMB3 1 
HETATM 3579 H  HAB  . HEC F 2 .   ? -9.18849  -11.64183 31.61862 1.000 15.42002 ? 201 HEC B HAB  1 
HETATM 3580 H  HBB1 . HEC F 2 .   ? -10.19580 -9.88397  32.73989 1.000 14.10731 ? 201 HEC B HBB1 1 
HETATM 3581 H  HBB2 . HEC F 2 .   ? -10.94945 -10.88372 33.71765 1.000 14.10731 ? 201 HEC B HBB2 1 
HETATM 3582 H  HBB3 . HEC F 2 .   ? -11.39068 -10.77793 32.19527 1.000 14.10731 ? 201 HEC B HBB3 1 
HETATM 3583 H  HMC1 . HEC F 2 .   ? -4.86735  -11.53093 29.08704 1.000 18.75359 ? 201 HEC B HMC1 1 
HETATM 3584 H  HMC2 . HEC F 2 .   ? -4.87034  -9.95303  29.22262 1.000 18.75359 ? 201 HEC B HMC2 1 
HETATM 3585 H  HMC3 . HEC F 2 .   ? -6.09504  -10.79689 29.76684 1.000 18.75359 ? 201 HEC B HMC3 1 
HETATM 3586 H  HAC  . HEC F 2 .   ? -1.13679  -11.32115 30.68725 1.000 16.48512 ? 201 HEC B HAC  1 
HETATM 3587 H  HBC1 . HEC F 2 .   ? -1.00890  -10.03090 28.85322 1.000 13.38208 ? 201 HEC B HBC1 1 
HETATM 3588 H  HBC2 . HEC F 2 .   ? -2.14978  -9.25729  29.64280 1.000 13.38208 ? 201 HEC B HBC2 1 
HETATM 3589 H  HBC3 . HEC F 2 .   ? -2.53474  -10.27228 28.48300 1.000 13.38208 ? 201 HEC B HBC3 1 
HETATM 3590 H  HMD1 . HEC F 2 .   ? 1.72163   -11.25764 35.39030 1.000 18.22621 ? 201 HEC B HMD1 1 
HETATM 3591 H  HMD2 . HEC F 2 .   ? 1.06263   -10.10160 34.50179 1.000 18.22621 ? 201 HEC B HMD2 1 
HETATM 3592 H  HMD3 . HEC F 2 .   ? 1.11830   -11.60208 33.94894 1.000 18.22621 ? 201 HEC B HMD3 1 
HETATM 3593 H  HAD1 . HEC F 2 .   ? 1.29263   -11.53016 37.61106 1.000 17.76553 ? 201 HEC B HAD1 1 
HETATM 3594 H  HAD2 . HEC F 2 .   ? 0.13427   -11.72758 38.67368 1.000 17.76553 ? 201 HEC B HAD2 1 
HETATM 3595 H  HBD1 . HEC F 2 .   ? -0.39243  -9.51246  38.63228 1.000 18.67688 ? 201 HEC B HBD1 1 
HETATM 3596 H  HBD2 . HEC F 2 .   ? 0.51054   -9.26577  37.35409 1.000 18.67688 ? 201 HEC B HBD2 1 
HETATM 3597 C  C1   . EOH G 4 .   ? -7.62908  -24.64009 32.10642 1.000 28.52870 ? 202 EOH B C1   1 
HETATM 3598 C  C2   . EOH G 4 .   ? -6.35607  -25.33956 32.50623 1.000 38.58572 ? 202 EOH B C2   1 
HETATM 3599 O  O    . EOH G 4 .   ? -7.42643  -23.24257 31.95100 1.000 24.62954 ? 202 EOH B O    1 
HETATM 3600 H  H11  . EOH G 4 .   ? -8.39179  -24.81276 32.86860 1.000 34.25801 ? 202 EOH B H11  1 
HETATM 3601 H  H12  . EOH G 4 .   ? -7.99295  -25.05991 31.16631 1.000 34.25801 ? 202 EOH B H12  1 
HETATM 3602 H  H21  . EOH G 4 .   ? -6.08717  -25.04901 33.48845 1.000 46.32643 ? 202 EOH B H21  1 
HETATM 3603 H  H22  . EOH G 4 .   ? -5.58141  -25.07370 31.83489 1.000 46.32643 ? 202 EOH B H22  1 
HETATM 3604 H  H23  . EOH G 4 .   ? -6.50484  -26.38764 32.47638 1.000 46.32643 ? 202 EOH B H23  1 
HETATM 3605 H  HO   . EOH G 4 .   ? -8.26630  -22.81783 31.72897 1.000 29.57902 ? 202 EOH B HO   1 
HETATM 3606 NA NA   . NA  H 5 .   ? -13.63261 -15.57245 50.73589 0.500 13.36565 ? 203 NA  B NA   1 
HETATM 3607 O  O    B HOH I 6 .   ? -8.65250  -2.73959  -0.24120 0.521 17.64676 ? 301 HOH A O    1 
HETATM 3608 O  O    C HOH I 6 .   ? -10.12712 -2.33816  0.13636  0.479 10.22790 ? 301 HOH A O    1 
HETATM 3609 O  O    . HOH I 6 .   ? 6.34248   -8.78953  10.50855 1.000 22.40387 ? 302 HOH A O    1 
HETATM 3610 O  O    . HOH I 6 .   ? 3.31298   -16.47186 18.84579 1.000 23.44417 ? 303 HOH A O    1 
HETATM 3611 O  O    . HOH I 6 .   ? -13.14927 3.48449   14.92801 1.000 33.11164 ? 304 HOH A O    1 
HETATM 3612 O  O    . HOH I 6 .   ? 5.450     -6.300    3.984    1.000 27.96327 ? 305 HOH A O    1 
HETATM 3613 O  O    . HOH I 6 .   ? -17.52846 -16.62876 15.70165 1.000 21.11309 ? 306 HOH A O    1 
HETATM 3614 O  O    A HOH I 6 .   ? -7.30797  -4.40733  -0.34635 0.874 22.03086 ? 307 HOH A O    1 
HETATM 3615 O  O    . HOH I 6 .   ? 5.55264   -6.46624  17.68371 1.000 33.66673 ? 308 HOH A O    1 
HETATM 3616 O  O    . HOH I 6 .   ? -18.20346 -19.04648 8.12913  1.000 28.40903 ? 309 HOH A O    1 
HETATM 3617 O  O    . HOH I 6 .   ? -12.33245 -7.79699  3.80855  1.000 13.46537 ? 310 HOH A O    1 
HETATM 3618 O  O    . HOH I 6 .   ? 6.42378   -17.78635 4.64340  1.000 38.06904 ? 311 HOH A O    1 
HETATM 3619 O  O    . HOH I 6 .   ? -17.69069 -1.96072  5.06520  1.000 28.88165 ? 312 HOH A O    1 
HETATM 3620 O  O    . HOH I 6 .   ? -25.37580 -16.34335 11.79275 1.000 14.63604 ? 313 HOH A O    1 
HETATM 3621 O  O    . HOH I 6 .   ? -10.036   8.995     2.512    1.000 31.04249 ? 314 HOH A O    1 
HETATM 3622 O  O    . HOH I 6 .   ? -9.41343  -30.48618 13.89382 1.000 24.93833 ? 315 HOH A O    1 
HETATM 3623 O  O    . HOH I 6 .   ? -18.12669 -10.96966 6.70313  1.000 31.66053 ? 316 HOH A O    1 
HETATM 3624 O  O    . HOH I 6 .   ? -8.07664  -11.11554 23.28851 1.000 22.06630 ? 317 HOH A O    1 
HETATM 3625 O  O    . HOH I 6 .   ? 1.20634   -12.20500 21.28118 1.000 46.98806 ? 318 HOH A O    1 
HETATM 3626 O  O    . HOH I 6 .   ? 0.25750   -23.24164 17.85974 1.000 23.83674 ? 319 HOH A O    1 
HETATM 3627 O  O    . HOH I 6 .   ? -15.41584 -22.89445 15.00502 1.000 18.48564 ? 320 HOH A O    1 
HETATM 3628 O  O    . HOH I 6 .   ? 2.03344   -26.01850 16.47762 1.000 18.52940 ? 321 HOH A O    1 
HETATM 3629 O  O    . HOH I 6 .   ? 0.80373   -25.15454 4.32512  1.000 34.24685 ? 322 HOH A O    1 
HETATM 3630 O  O    . HOH I 6 .   ? -2.22087  0.70950   4.26758  1.000 25.27960 ? 323 HOH A O    1 
HETATM 3631 O  O    . HOH I 6 .   ? -15.04721 -14.44786 0.05690  1.000 26.50848 ? 324 HOH A O    1 
HETATM 3632 O  O    . HOH I 6 .   ? -14.46549 -0.71973  15.46604 1.000 20.19370 ? 325 HOH A O    1 
HETATM 3633 O  O    . HOH I 6 .   ? -5.37744  5.05996   10.56083 1.000 9.51096  ? 326 HOH A O    1 
HETATM 3634 O  O    . HOH I 6 .   ? -22.17238 -8.76100  10.62788 1.000 24.15639 ? 327 HOH A O    1 
HETATM 3635 O  O    . HOH I 6 .   ? -5.81069  -5.58767  22.24643 1.000 22.92404 ? 328 HOH A O    1 
HETATM 3636 O  O    . HOH I 6 .   ? -9.99358  -13.22626 -4.49581 1.000 28.00963 ? 329 HOH A O    1 
HETATM 3637 O  O    . HOH I 6 .   ? -21.13581 -6.66405  18.59103 1.000 24.92985 ? 330 HOH A O    1 
HETATM 3638 O  O    . HOH I 6 .   ? -14.82810 -6.38780  20.69295 1.000 13.72580 ? 331 HOH A O    1 
HETATM 3639 O  O    . HOH I 6 .   ? -9.25255  -26.32434 20.36720 1.000 21.20950 ? 332 HOH A O    1 
HETATM 3640 O  O    . HOH I 6 .   ? -3.01345  -12.63795 -1.42991 1.000 11.70385 ? 333 HOH A O    1 
HETATM 3641 O  O    . HOH I 6 .   ? -14.54174 -20.02199 17.38847 1.000 20.87090 ? 334 HOH A O    1 
HETATM 3642 O  O    . HOH I 6 .   ? -17.78606 -21.28650 11.42915 1.000 25.29897 ? 335 HOH A O    1 
HETATM 3643 O  O    . HOH I 6 .   ? 3.71887   -7.76925  9.76293  1.000 11.64888 ? 336 HOH A O    1 
HETATM 3644 O  O    . HOH I 6 .   ? -5.11192  -22.71709 5.30580  1.000 20.29377 ? 337 HOH A O    1 
HETATM 3645 O  O    A HOH I 6 .   ? -14.43839 4.24248   8.80420  0.464 18.07902 ? 338 HOH A O    1 
HETATM 3646 O  O    B HOH I 6 .   ? -14.97000 3.88176   7.86559  0.536 16.30581 ? 338 HOH A O    1 
HETATM 3647 O  O    . HOH I 6 .   ? -7.89315  -14.82251 26.32152 1.000 12.32294 ? 339 HOH A O    1 
HETATM 3648 O  O    . HOH I 6 .   ? 5.10312   -6.53221  7.74627  1.000 17.67575 ? 340 HOH A O    1 
HETATM 3649 O  O    . HOH I 6 .   ? 1.92886   -24.58483 12.00155 1.000 12.85967 ? 341 HOH A O    1 
HETATM 3650 O  O    . HOH I 6 .   ? 2.57320   -10.09879 2.34539  1.000 9.36681  ? 342 HOH A O    1 
HETATM 3651 O  O    . HOH I 6 .   ? -1.22450  -22.88127 8.03286  1.000 16.31631 ? 343 HOH A O    1 
HETATM 3652 O  O    . HOH I 6 .   ? -18.63529 -5.33702  0.71442  1.000 29.56405 ? 344 HOH A O    1 
HETATM 3653 O  O    . HOH I 6 .   ? -20.75028 -20.19352 2.90073  1.000 17.76048 ? 345 HOH A O    1 
HETATM 3654 O  O    . HOH I 6 .   ? -0.79142  2.50773   6.02976  1.000 17.87549 ? 346 HOH A O    1 
HETATM 3655 O  O    . HOH I 6 .   ? -2.75344  -0.77494  16.19973 1.000 28.95544 ? 347 HOH A O    1 
HETATM 3656 O  O    . HOH I 6 .   ? 3.88279   -27.24786 10.47554 1.000 17.63953 ? 348 HOH A O    1 
HETATM 3657 O  O    . HOH I 6 .   ? -3.07178  -23.62365 20.55217 1.000 15.49803 ? 349 HOH A O    1 
HETATM 3658 O  O    . HOH I 6 .   ? -15.89249 -9.40995  23.20469 1.000 38.32123 ? 350 HOH A O    1 
HETATM 3659 O  O    . HOH I 6 .   ? -17.55077 -18.24103 1.92736  1.000 33.46576 ? 351 HOH A O    1 
HETATM 3660 O  O    . HOH I 6 .   ? -9.431    6.141     8.139    1.000 17.30785 ? 352 HOH A O    1 
HETATM 3661 O  O    . HOH I 6 .   ? 8.44349   -13.73730 14.50405 1.000 24.29930 ? 353 HOH A O    1 
HETATM 3662 O  O    . HOH I 6 .   ? 1.68919   -14.43373 21.92371 1.000 30.41667 ? 354 HOH A O    1 
HETATM 3663 O  O    . HOH I 6 .   ? -24.10840 -17.09511 14.23065 1.000 30.03784 ? 355 HOH A O    1 
HETATM 3664 O  O    . HOH I 6 .   ? -2.106    1.580     14.664   1.000 35.35946 ? 356 HOH A O    1 
HETATM 3665 O  O    . HOH I 6 .   ? -5.39311  -10.82752 21.93921 1.000 16.61210 ? 357 HOH A O    1 
HETATM 3666 O  O    . HOH I 6 .   ? -6.32683  -4.10201  9.34765  1.000 10.01866 ? 358 HOH A O    1 
HETATM 3667 O  O    A HOH I 6 .   ? -21.21420 -8.44126  7.63542  0.612 18.81155 ? 359 HOH A O    1 
HETATM 3668 O  O    B HOH I 6 .   ? -21.94537 -9.93929  8.06317  0.388 14.77547 ? 359 HOH A O    1 
HETATM 3669 O  O    . HOH I 6 .   ? -2.17195  4.95091   7.87587  1.000 22.12127 ? 360 HOH A O    1 
HETATM 3670 O  O    . HOH I 6 .   ? -16.05534 -15.26883 17.90258 1.000 13.66693 ? 361 HOH A O    1 
HETATM 3671 O  O    . HOH I 6 .   ? -11.94613 -20.60899 3.61493  1.000 20.10905 ? 362 HOH A O    1 
HETATM 3672 O  O    . HOH I 6 .   ? -6.769    -19.964   0.357    1.000 22.26250 ? 363 HOH A O    1 
HETATM 3673 O  O    . HOH I 6 .   ? -20.50234 -2.44822  3.68098  1.000 32.86247 ? 364 HOH A O    1 
HETATM 3674 O  O    . HOH I 6 .   ? -0.00000  -1.61105  0.00000  0.500 13.74116 ? 365 HOH A O    1 
HETATM 3675 O  O    . HOH I 6 .   ? 0.14647   -30.03849 15.92897 1.000 24.98078 ? 366 HOH A O    1 
HETATM 3676 O  O    . HOH I 6 .   ? -2.301    -14.547   0.992    1.000 20.54052 ? 367 HOH A O    1 
HETATM 3677 O  O    . HOH I 6 .   ? -20.69993 0.71625   10.22548 1.000 27.86475 ? 368 HOH A O    1 
HETATM 3678 O  O    . HOH I 6 .   ? -3.50441  -19.03101 22.82432 1.000 22.16668 ? 369 HOH A O    1 
HETATM 3679 O  O    . HOH I 6 .   ? -7.360    -0.572    -2.250   1.000 18.88508 ? 370 HOH A O    1 
HETATM 3680 O  O    . HOH I 6 .   ? 4.08544   -2.40125  5.41288  1.000 13.33141 ? 371 HOH A O    1 
HETATM 3681 O  O    . HOH I 6 .   ? -16.55550 -9.65745  14.43707 1.000 10.64000 ? 372 HOH A O    1 
HETATM 3682 O  O    . HOH I 6 .   ? -9.25689  -4.37448  24.29776 1.000 26.18767 ? 373 HOH A O    1 
HETATM 3683 O  O    . HOH I 6 .   ? -8.02507  -11.63595 -5.30236 1.000 27.73087 ? 374 HOH A O    1 
HETATM 3684 O  O    . HOH I 6 .   ? -18.37390 -2.68913  14.57313 1.000 19.79976 ? 375 HOH A O    1 
HETATM 3685 O  O    B HOH I 6 .   ? 6.69249   -21.74326 15.87795 1.000 16.95789 ? 376 HOH A O    1 
HETATM 3686 O  O    . HOH I 6 .   ? 6.41760   -13.78900 8.74846  1.000 27.44896 ? 377 HOH A O    1 
HETATM 3687 O  O    . HOH I 6 .   ? -15.45169 0.33633   13.17901 1.000 18.07838 ? 378 HOH A O    1 
HETATM 3688 O  O    . HOH I 6 .   ? -12.87834 -18.08796 3.88263  1.000 14.13993 ? 379 HOH A O    1 
HETATM 3689 O  O    . HOH I 6 .   ? 0.69091   -27.92850 14.05337 1.000 22.90912 ? 380 HOH A O    1 
HETATM 3690 O  O    . HOH I 6 .   ? 3.91143   -17.04074 3.74064  1.000 24.64835 ? 381 HOH A O    1 
HETATM 3691 O  O    . HOH I 6 .   ? -6.355    3.547     13.918   1.000 16.77695 ? 382 HOH A O    1 
HETATM 3692 O  O    . HOH I 6 .   ? -8.29022  -25.72549 7.23481  1.000 17.50035 ? 383 HOH A O    1 
HETATM 3693 O  O    . HOH I 6 .   ? -8.29714  4.08064   1.61667  1.000 20.45423 ? 384 HOH A O    1 
HETATM 3694 O  O    . HOH I 6 .   ? -4.18161  -31.46793 17.89809 1.000 33.82522 ? 385 HOH A O    1 
HETATM 3695 O  O    . HOH I 6 .   ? -20.613   -20.063   8.813    1.000 19.16002 ? 386 HOH A O    1 
HETATM 3696 O  O    . HOH I 6 .   ? -2.46794  -26.28063 6.96562  1.000 16.37825 ? 387 HOH A O    1 
HETATM 3697 O  O    . HOH I 6 .   ? 0.63760   -4.43161  15.78215 1.000 16.88734 ? 388 HOH A O    1 
HETATM 3698 O  O    . HOH I 6 .   ? -8.56821  -3.01274  18.09774 1.000 12.82070 ? 389 HOH A O    1 
HETATM 3699 O  O    . HOH I 6 .   ? -7.30730  -25.53176 2.70953  1.000 25.85379 ? 390 HOH A O    1 
HETATM 3700 O  O    . HOH I 6 .   ? -21.17302 -12.69479 7.52082  1.000 16.44482 ? 391 HOH A O    1 
HETATM 3701 O  O    . HOH I 6 .   ? 7.59995   -7.97974  14.68762 1.000 27.39396 ? 392 HOH A O    1 
HETATM 3702 O  O    . HOH I 6 .   ? 4.68362   -27.48154 6.88405  1.000 23.54485 ? 393 HOH A O    1 
HETATM 3703 O  O    . HOH I 6 .   ? -14.886   4.268     2.060    1.000 38.37650 ? 394 HOH A O    1 
HETATM 3704 O  O    . HOH I 6 .   ? -1.46222  -3.40105  17.14542 1.000 26.15559 ? 395 HOH A O    1 
HETATM 3705 O  O    . HOH I 6 .   ? -12.927   -9.102    -2.263   1.000 24.77495 ? 396 HOH A O    1 
HETATM 3706 O  O    . HOH I 6 .   ? -1.52951  -17.12584 22.07782 1.000 28.59099 ? 397 HOH A O    1 
HETATM 3707 O  O    . HOH I 6 .   ? -11.76014 0.48922   11.91433 1.000 19.74037 ? 398 HOH A O    1 
HETATM 3708 O  O    . HOH I 6 .   ? -6.941    1.564     17.473   1.000 25.14236 ? 399 HOH A O    1 
HETATM 3709 O  O    . HOH I 6 .   ? -6.58957  -7.67414  23.87944 1.000 32.39373 ? 400 HOH A O    1 
HETATM 3710 O  O    . HOH I 6 .   ? 1.95380   -0.69132  2.47611  1.000 18.76548 ? 401 HOH A O    1 
HETATM 3711 O  O    . HOH I 6 .   ? 4.02468   -14.19156 3.63336  1.000 19.50795 ? 402 HOH A O    1 
HETATM 3712 O  O    . HOH I 6 .   ? -22.43589 -13.41107 16.16612 1.000 18.16021 ? 403 HOH A O    1 
HETATM 3713 O  O    . HOH I 6 .   ? -9.36293  -21.71550 26.23488 1.000 19.09851 ? 404 HOH A O    1 
HETATM 3714 O  O    . HOH I 6 .   ? -16.80605 -11.63492 2.93340  1.000 32.58221 ? 405 HOH A O    1 
HETATM 3715 O  O    . HOH I 6 .   ? -15.54059 1.18826   5.71594  1.000 19.36821 ? 406 HOH A O    1 
HETATM 3716 O  O    . HOH I 6 .   ? 0.384     5.042     11.725   1.000 28.04879 ? 407 HOH A O    1 
HETATM 3717 O  O    . HOH I 6 .   ? -12.92405 -5.45546  22.58125 1.000 22.30589 ? 408 HOH A O    1 
HETATM 3718 O  O    . HOH I 6 .   ? -6.871    -4.755    -7.119   1.000 24.72214 ? 409 HOH A O    1 
HETATM 3719 O  O    . HOH I 6 .   ? -5.232    0.757     -2.738   1.000 26.86838 ? 410 HOH A O    1 
HETATM 3720 O  O    . HOH I 6 .   ? -1.82902  -7.65797  21.94231 1.000 27.24797 ? 411 HOH A O    1 
HETATM 3721 O  O    . HOH I 6 .   ? -6.58941  5.34357   8.18416  1.000 10.41301 ? 412 HOH A O    1 
HETATM 3722 O  O    . HOH I 6 .   ? -14.183   -1.539    -2.104   1.000 26.67865 ? 413 HOH A O    1 
HETATM 3723 O  O    . HOH I 6 .   ? -9.02134  -17.96356 -1.83129 1.000 31.57758 ? 414 HOH A O    1 
HETATM 3724 O  O    . HOH I 6 .   ? -17.99626 -0.77055  12.55547 1.000 17.49323 ? 415 HOH A O    1 
HETATM 3725 O  O    . HOH I 6 .   ? -19.43417 -9.63318  4.60461  1.000 34.76572 ? 416 HOH A O    1 
HETATM 3726 O  O    . HOH I 6 .   ? 3.58948   -13.78598 20.39726 1.000 29.68336 ? 417 HOH A O    1 
HETATM 3727 O  O    . HOH I 6 .   ? -3.17978  -9.47908  22.87770 1.000 45.65604 ? 418 HOH A O    1 
HETATM 3728 O  O    . HOH I 6 .   ? -22.25435 -10.31952 23.72465 1.000 44.73679 ? 419 HOH A O    1 
HETATM 3729 O  O    . HOH I 6 .   ? -22.25187 -13.90653 5.70471  1.000 35.29517 ? 420 HOH A O    1 
HETATM 3730 O  O    . HOH I 6 .   ? 9.24119   -16.04466 12.48505 1.000 34.16277 ? 421 HOH A O    1 
HETATM 3731 O  O    . HOH I 6 .   ? 8.085     -4.967    16.672   1.000 31.95554 ? 422 HOH A O    1 
HETATM 3732 O  O    . HOH I 6 .   ? -12.07553 -25.30812 1.01796  1.000 32.06522 ? 423 HOH A O    1 
HETATM 3733 O  O    . HOH I 6 .   ? -19.99713 -3.28208  16.85817 1.000 29.16120 ? 424 HOH A O    1 
HETATM 3734 O  O    . HOH I 6 .   ? -25.00449 -12.81438 14.99809 1.000 24.14931 ? 425 HOH A O    1 
HETATM 3735 O  O    A HOH I 6 .   ? 8.764     -3.939    14.310   0.418 18.10791 ? 426 HOH A O    1 
HETATM 3736 O  O    B HOH I 6 .   ? 7.235     -2.775    13.927   0.582 22.99020 ? 426 HOH A O    1 
HETATM 3737 O  O    . HOH I 6 .   ? -25.062   -13.007   6.353    1.000 21.93990 ? 427 HOH A O    1 
HETATM 3738 O  O    . HOH I 6 .   ? 9.59893   -13.28238 12.80415 1.000 41.96382 ? 428 HOH A O    1 
HETATM 3739 O  O    . HOH I 6 .   ? -18.83188 -3.49597  19.03264 1.000 38.76865 ? 429 HOH A O    1 
HETATM 3740 O  O    . HOH I 6 .   ? -8.25799  2.69834   -0.68962 1.000 26.66335 ? 430 HOH A O    1 
HETATM 3741 O  O    . HOH I 6 .   ? -4.63496  5.44731   4.02479  1.000 18.66158 ? 431 HOH A O    1 
HETATM 3742 O  O    . HOH I 6 .   ? 3.478     -27.556   14.243   1.000 26.03232 ? 432 HOH A O    1 
HETATM 3743 O  O    . HOH I 6 .   ? -2.07507  1.06573   17.93559 1.000 38.65315 ? 433 HOH A O    1 
HETATM 3744 O  O    . HOH I 6 .   ? -11.50216 -28.50018 9.91224  1.000 27.30146 ? 434 HOH A O    1 
HETATM 3745 O  O    . HOH I 6 .   ? -10.58155 -24.05793 21.81166 1.000 24.25085 ? 435 HOH A O    1 
HETATM 3746 O  O    . HOH I 6 .   ? -23.59128 -13.54937 20.11728 1.000 43.00210 ? 436 HOH A O    1 
HETATM 3747 O  O    . HOH I 6 .   ? -6.36871  -3.77099  -4.75893 1.000 18.68541 ? 437 HOH A O    1 
HETATM 3748 O  O    . HOH I 6 .   ? 2.97994   -17.39683 23.27407 1.000 47.09150 ? 438 HOH A O    1 
HETATM 3749 O  O    . HOH I 6 .   ? -6.334    8.859     5.428    1.000 16.78891 ? 439 HOH A O    1 
HETATM 3750 O  O    . HOH I 6 .   ? -20.20214 1.63753   7.99035  1.000 31.31685 ? 440 HOH A O    1 
HETATM 3751 O  O    . HOH I 6 .   ? -6.20575  6.01861   1.80638  1.000 26.61742 ? 441 HOH A O    1 
HETATM 3752 O  O    . HOH I 6 .   ? -5.35776  -27.66865 21.41214 1.000 32.28253 ? 442 HOH A O    1 
HETATM 3753 O  O    A HOH I 6 .   ? -0.51305  -3.99460  21.79759 0.518 19.35861 ? 443 HOH A O    1 
HETATM 3754 O  O    B HOH I 6 .   ? -0.15014  -3.43154  20.16265 0.482 18.86164 ? 443 HOH A O    1 
HETATM 3755 O  O    . HOH I 6 .   ? -18.151   -15.750   1.214    1.000 27.87628 ? 444 HOH A O    1 
HETATM 3756 O  O    . HOH I 6 .   ? -0.62778  0.58448   2.17807  1.000 21.07799 ? 445 HOH A O    1 
HETATM 3757 O  O    . HOH I 6 .   ? -4.93884  6.74840   6.44475  1.000 15.21650 ? 446 HOH A O    1 
HETATM 3758 O  O    . HOH I 6 .   ? -3.00169  -26.00919 21.96753 1.000 24.03400 ? 447 HOH A O    1 
HETATM 3759 O  O    . HOH I 6 .   ? -11.76022 3.43705   12.07376 1.000 26.13326 ? 448 HOH A O    1 
HETATM 3760 O  O    . HOH I 6 .   ? -17.33643 -5.71809  21.58181 1.000 30.27524 ? 449 HOH A O    1 
HETATM 3761 O  O    . HOH I 6 .   ? -11.11015 -3.11041  22.17868 1.000 25.39623 ? 450 HOH A O    1 
HETATM 3762 O  O    . HOH I 6 .   ? -17.53303 -21.23556 14.27470 1.000 23.50456 ? 451 HOH A O    1 
HETATM 3763 O  O    A HOH I 6 .   ? -3.63001  -25.46195 29.57614 0.533 17.89466 ? 452 HOH A O    1 
HETATM 3764 O  O    B HOH I 6 .   ? -5.02883  -24.62140 28.21636 0.467 19.01863 ? 452 HOH A O    1 
HETATM 3765 O  O    . HOH I 6 .   ? 2.27338   -13.97438 24.54553 1.000 33.12524 ? 453 HOH A O    1 
HETATM 3766 O  O    . HOH I 6 .   ? -17.17726 -19.36018 16.24555 1.000 20.31465 ? 454 HOH A O    1 
HETATM 3767 O  O    . HOH I 6 .   ? -7.807    -26.037   -1.180   1.000 39.93989 ? 455 HOH A O    1 
HETATM 3768 O  O    . HOH I 6 .   ? -5.866    -13.563   -5.497   1.000 24.15112 ? 456 HOH A O    1 
HETATM 3769 O  O    . HOH I 6 .   ? 3.29865   0.26030   4.56219  1.000 17.86264 ? 457 HOH A O    1 
HETATM 3770 O  O    . HOH I 6 .   ? -21.28785 -13.74537 18.43887 1.000 27.26604 ? 458 HOH A O    1 
HETATM 3771 O  O    . HOH I 6 .   ? -16.04596 -23.58302 17.44736 1.000 30.94044 ? 459 HOH A O    1 
HETATM 3772 O  O    . HOH I 6 .   ? -2.80470  -5.38566  23.23801 1.000 38.49609 ? 460 HOH A O    1 
HETATM 3773 O  O    A HOH I 6 .   ? -1.70786  5.10533   5.31322  0.669 27.46149 ? 461 HOH A O    1 
HETATM 3774 O  O    B HOH I 6 .   ? -1.32003  7.19555   4.69494  0.331 17.73223 ? 461 HOH A O    1 
HETATM 3775 O  O    . HOH I 6 .   ? -16.356   2.861     13.872   1.000 32.91466 ? 462 HOH A O    1 
HETATM 3776 O  O    . HOH I 6 .   ? -2.47644  -23.59929 5.84634  1.000 20.47006 ? 463 HOH A O    1 
HETATM 3777 O  O    . HOH I 6 .   ? -2.61272  -21.61542 22.44425 1.000 25.36687 ? 464 HOH A O    1 
HETATM 3778 O  O    . HOH I 6 .   ? -1.33332  -23.94180 3.65048  1.000 34.47682 ? 465 HOH A O    1 
HETATM 3779 O  O    . HOH I 6 .   ? -8.412    0.950     20.122   1.000 31.23912 ? 466 HOH A O    1 
HETATM 3780 O  O    . HOH I 6 .   ? -2.52251  4.03039   3.63796  1.000 32.25877 ? 467 HOH A O    1 
HETATM 3781 O  O    . HOH I 6 .   ? -7.31094  -3.02340  22.72475 1.000 24.59926 ? 468 HOH A O    1 
HETATM 3782 O  O    . HOH I 6 .   ? -14.99067 -21.96760 19.29574 1.000 20.91290 ? 469 HOH A O    1 
HETATM 3783 O  O    . HOH I 6 .   ? -21.36878 -10.59706 3.93132  1.000 41.30622 ? 470 HOH A O    1 
HETATM 3784 O  O    . HOH I 6 .   ? 1.82776   2.79740   5.16878  1.000 20.94965 ? 471 HOH A O    1 
HETATM 3785 O  O    . HOH I 6 .   ? -4.44667  -30.16027 20.51103 1.000 33.83185 ? 472 HOH A O    1 
HETATM 3786 O  O    . HOH I 6 .   ? -13.38477 -23.36861 21.35181 1.000 22.18790 ? 473 HOH A O    1 
HETATM 3787 O  O    A HOH I 6 .   ? 5.431     -26.078   2.275    0.487 20.91184 ? 474 HOH A O    1 
HETATM 3788 O  O    B HOH I 6 .   ? 4.148     -24.720   3.009    0.513 28.95363 ? 474 HOH A O    1 
HETATM 3789 O  O    . HOH I 6 .   ? -9.27709  -2.07065  20.67467 1.000 18.21237 ? 475 HOH A O    1 
HETATM 3790 O  O    . HOH I 6 .   ? -3.21986  -26.18222 2.82215  1.000 30.18570 ? 476 HOH A O    1 
HETATM 3791 O  O    . HOH I 6 .   ? -1.78037  4.65477   1.24901  1.000 32.49377 ? 477 HOH A O    1 
HETATM 3792 O  O    . HOH I 6 .   ? -11.28813 -22.70940 24.60160 0.691 25.16584 ? 478 HOH A O    1 
HETATM 3793 O  O    . HOH I 6 .   ? -11.30307 -24.85232 26.16054 1.000 39.72867 ? 479 HOH A O    1 
HETATM 3794 O  O    . HOH I 6 .   ? -13.67149 -22.09157 23.79936 1.000 19.09342 ? 480 HOH A O    1 
HETATM 3795 O  O    . HOH J 6 .   ? -16.85518 0.24228   35.28930 1.000 45.13553 ? 301 HOH B O    1 
HETATM 3796 O  O    . HOH J 6 .   ? 4.87320   -17.47624 43.84452 1.000 38.26336 ? 302 HOH B O    1 
HETATM 3797 O  O    . HOH J 6 .   ? -23.69213 -5.16199  32.95180 1.000 25.69741 ? 303 HOH B O    1 
HETATM 3798 O  O    . HOH J 6 .   ? 6.44928   -14.31705 43.94403 1.000 31.58885 ? 304 HOH B O    1 
HETATM 3799 O  O    . HOH J 6 .   ? -0.40374  -11.22233 49.73161 1.000 29.68672 ? 305 HOH B O    1 
HETATM 3800 O  O    . HOH J 6 .   ? -2.13451  -8.15673  40.09317 1.000 17.48328 ? 306 HOH B O    1 
HETATM 3801 O  O    . HOH J 6 .   ? -27.80748 -15.10006 32.09897 1.000 40.24269 ? 307 HOH B O    1 
HETATM 3802 O  O    . HOH J 6 .   ? -20.18182 -3.90623  44.39062 1.000 25.86851 ? 308 HOH B O    1 
HETATM 3803 O  O    . HOH J 6 .   ? -15.17277 -17.63454 21.84200 1.000 22.46015 ? 309 HOH B O    1 
HETATM 3804 O  O    . HOH J 6 .   ? -13.87073 -24.90774 32.52427 1.000 27.62765 ? 310 HOH B O    1 
HETATM 3805 O  O    . HOH J 6 .   ? -17.06315 -2.49756  40.84540 1.000 30.78398 ? 311 HOH B O    1 
HETATM 3806 O  O    . HOH J 6 .   ? 4.95652   -18.16299 33.97957 1.000 32.08193 ? 312 HOH B O    1 
HETATM 3807 O  O    . HOH J 6 .   ? -15.72878 -10.17594 50.76532 1.000 18.51092 ? 313 HOH B O    1 
HETATM 3808 O  O    . HOH J 6 .   ? -2.87205  -16.12168 45.06935 1.000 17.74172 ? 314 HOH B O    1 
HETATM 3809 O  O    . HOH J 6 .   ? -10.40017 -4.73450  48.95486 1.000 22.12924 ? 315 HOH B O    1 
HETATM 3810 O  O    . HOH J 6 .   ? -3.30119  -20.82154 41.82718 1.000 23.18921 ? 316 HOH B O    1 
HETATM 3811 O  O    . HOH J 6 .   ? 3.55922   -21.11891 29.95263 1.000 35.83611 ? 317 HOH B O    1 
HETATM 3812 O  O    . HOH J 6 .   ? -17.14244 -5.28124  30.35510 1.000 25.26080 ? 318 HOH B O    1 
HETATM 3813 O  O    . HOH J 6 .   ? -10.32607 -0.36114  47.35435 1.000 36.40128 ? 319 HOH B O    1 
HETATM 3814 O  O    . HOH J 6 .   ? -19.60634 -20.93539 27.44363 1.000 40.08061 ? 320 HOH B O    1 
HETATM 3815 O  O    . HOH J 6 .   ? -12.65639 0.01346   40.17564 1.000 27.41871 ? 321 HOH B O    1 
HETATM 3816 O  O    . HOH J 6 .   ? -10.45802 -21.99627 46.31062 1.000 31.45852 ? 322 HOH B O    1 
HETATM 3817 O  O    . HOH J 6 .   ? -6.92326  -22.51089 47.62294 1.000 33.65834 ? 323 HOH B O    1 
HETATM 3818 O  O    . HOH J 6 .   ? 5.04805   -13.75565 33.71910 1.000 31.62168 ? 324 HOH B O    1 
HETATM 3819 O  O    . HOH J 6 .   ? -16.99784 -5.50730  45.26009 1.000 23.45018 ? 325 HOH B O    1 
HETATM 3820 O  O    . HOH J 6 .   ? -5.01653  3.18932   43.23771 1.000 31.96871 ? 326 HOH B O    1 
HETATM 3821 O  O    . HOH J 6 .   ? -25.26180 -11.21060 31.88715 1.000 28.29033 ? 327 HOH B O    1 
HETATM 3822 O  O    . HOH J 6 .   ? -0.22252  -9.83660  25.22721 1.000 28.16145 ? 328 HOH B O    1 
HETATM 3823 O  O    . HOH J 6 .   ? 0.24871   0.38738   37.73819 1.000 26.15819 ? 329 HOH B O    1 
HETATM 3824 O  O    . HOH J 6 .   ? 0.03733   -3.65940  46.63661 1.000 32.29336 ? 330 HOH B O    1 
HETATM 3825 O  O    . HOH J 6 .   ? -3.27139  -9.80263  54.79374 1.000 30.26409 ? 331 HOH B O    1 
HETATM 3826 O  O    . HOH J 6 .   ? -11.32009 -26.29419 35.90407 1.000 28.88147 ? 332 HOH B O    1 
HETATM 3827 O  O    . HOH J 6 .   ? -16.01603 -20.57303 46.12076 1.000 30.80742 ? 333 HOH B O    1 
HETATM 3828 O  O    . HOH J 6 .   ? -20.38583 -20.41726 40.31182 1.000 23.36378 ? 334 HOH B O    1 
HETATM 3829 O  O    . HOH J 6 .   ? -12.04372 2.53362   37.80673 1.000 26.36143 ? 335 HOH B O    1 
HETATM 3830 O  O    . HOH J 6 .   ? -2.63319  -2.90957  34.16658 1.000 33.08994 ? 336 HOH B O    1 
HETATM 3831 O  O    . HOH J 6 .   ? -22.01306 -11.17175 30.40799 1.000 30.02164 ? 337 HOH B O    1 
HETATM 3832 O  O    . HOH J 6 .   ? -4.65079  -4.75870  52.14713 1.000 32.16167 ? 338 HOH B O    1 
HETATM 3833 O  O    . HOH J 6 .   ? -11.70663 -22.48150 30.27867 1.000 23.45842 ? 339 HOH B O    1 
HETATM 3834 O  O    . HOH J 6 .   ? -13.14295 1.55407   42.01405 1.000 41.76748 ? 340 HOH B O    1 
HETATM 3835 O  O    . HOH J 6 .   ? -6.95038  -11.92124 25.75443 1.000 20.10934 ? 341 HOH B O    1 
HETATM 3836 O  O    . HOH J 6 .   ? -6.84965  -21.24198 29.99997 1.000 18.08994 ? 342 HOH B O    1 
HETATM 3837 O  O    . HOH J 6 .   ? -1.79846  -19.61402 33.89271 1.000 16.03847 ? 343 HOH B O    1 
HETATM 3838 O  O    . HOH J 6 .   ? -3.31509  -7.32743  27.38268 1.000 24.52103 ? 344 HOH B O    1 
HETATM 3839 O  O    . HOH J 6 .   ? -16.91205 -17.47591 47.85316 1.000 20.96158 ? 345 HOH B O    1 
HETATM 3840 O  O    . HOH J 6 .   ? -2.84132  -25.82462 40.17427 1.000 24.81818 ? 346 HOH B O    1 
HETATM 3841 O  O    . HOH J 6 .   ? -10.05755 -13.32172 22.38377 1.000 10.61550 ? 347 HOH B O    1 
HETATM 3842 O  O    . HOH J 6 .   ? 8.98236   -12.11602 41.60685 1.000 37.23261 ? 348 HOH B O    1 
HETATM 3843 O  O    . HOH J 6 .   ? -3.51172  -22.75462 47.08831 1.000 35.41949 ? 349 HOH B O    1 
HETATM 3844 O  O    . HOH J 6 .   ? -8.19375  -9.59153  27.18842 1.000 20.84899 ? 350 HOH B O    1 
HETATM 3845 O  O    . HOH J 6 .   ? -24.04486 -11.17776 36.19971 1.000 17.88757 ? 351 HOH B O    1 
HETATM 3846 O  O    . HOH J 6 .   ? -21.13891 -13.56223 40.26182 1.000 16.98324 ? 352 HOH B O    1 
HETATM 3847 O  O    . HOH J 6 .   ? -12.00297 1.35585   45.97823 1.000 50.15792 ? 353 HOH B O    1 
HETATM 3848 O  O    . HOH J 6 .   ? -7.08994  0.11021   34.01138 1.000 31.00894 ? 354 HOH B O    1 
HETATM 3849 O  O    . HOH J 6 .   ? -3.88827  -17.52347 41.51979 1.000 30.48953 ? 355 HOH B O    1 
HETATM 3850 O  O    . HOH J 6 .   ? -21.35212 -16.31613 44.07186 1.000 30.61133 ? 356 HOH B O    1 
HETATM 3851 O  O    . HOH J 6 .   ? -4.74812  -9.02522  25.71652 1.000 31.41654 ? 357 HOH B O    1 
HETATM 3852 O  O    . HOH J 6 .   ? -7.32693  -15.78385 53.07413 1.000 34.70149 ? 358 HOH B O    1 
HETATM 3853 O  O    . HOH J 6 .   ? 0.41585   -15.94811 28.25585 1.000 14.41269 ? 359 HOH B O    1 
HETATM 3854 O  O    . HOH J 6 .   ? 4.71651   -15.68706 45.68813 1.000 33.96125 ? 360 HOH B O    1 
HETATM 3855 O  O    . HOH J 6 .   ? -10.26019 -1.49144  40.67085 1.000 17.53450 ? 361 HOH B O    1 
HETATM 3856 O  O    . HOH J 6 .   ? -23.46421 -3.32831  45.29294 1.000 27.10969 ? 362 HOH B O    1 
HETATM 3857 O  O    . HOH J 6 .   ? -11.22913 -21.23992 43.98437 1.000 20.96585 ? 363 HOH B O    1 
HETATM 3858 O  O    . HOH J 6 .   ? -26.18881 -19.35744 29.46170 1.000 33.65618 ? 364 HOH B O    1 
HETATM 3859 O  O    . HOH J 6 .   ? 0.74108   -1.35811  45.00728 1.000 26.91228 ? 365 HOH B O    1 
HETATM 3860 O  O    . HOH J 6 .   ? -26.27148 -13.59735 34.06521 1.000 25.07343 ? 366 HOH B O    1 
HETATM 3861 O  O    . HOH J 6 .   ? -20.60916 -14.27280 27.54218 1.000 24.59297 ? 367 HOH B O    1 
HETATM 3862 O  O    . HOH J 6 .   ? -10.17454 -0.14035  43.18838 1.000 22.45869 ? 368 HOH B O    1 
HETATM 3863 O  O    . HOH J 6 .   ? -5.37655  -2.14261  34.62635 1.000 22.54967 ? 369 HOH B O    1 
HETATM 3864 O  O    . HOH J 6 .   ? -6.746    -30.715   36.212   1.000 26.53557 ? 370 HOH B O    1 
HETATM 3865 O  O    . HOH J 6 .   ? -13.14963 -26.94042 39.72440 1.000 35.25807 ? 371 HOH B O    1 
HETATM 3866 O  O    . HOH J 6 .   ? 0.30829   -13.34226 26.57451 1.000 27.31133 ? 372 HOH B O    1 
HETATM 3867 O  O    . HOH J 6 .   ? -14.19448 -21.48008 44.16845 1.000 22.23347 ? 373 HOH B O    1 
HETATM 3868 O  O    . HOH J 6 .   ? 1.38046   -24.33599 37.76020 1.000 19.15565 ? 374 HOH B O    1 
HETATM 3869 O  O    . HOH J 6 .   ? 3.711     -7.063    32.098   1.000 24.87957 ? 375 HOH B O    1 
HETATM 3870 O  O    . HOH J 6 .   ? 0.94627   -23.68889 40.69983 1.000 26.22623 ? 376 HOH B O    1 
HETATM 3871 O  O    . HOH J 6 .   ? -5.66780  -16.55544 45.87077 1.000 23.43462 ? 377 HOH B O    1 
HETATM 3872 O  O    . HOH J 6 .   ? -1.45889  -19.18653 25.31679 1.000 37.25312 ? 378 HOH B O    1 
HETATM 3873 O  O    . HOH J 6 .   ? -19.11915 -6.20595  46.64191 1.000 27.36705 ? 379 HOH B O    1 
HETATM 3874 O  O    . HOH J 6 .   ? -12.18569 -3.05433  48.73285 1.000 33.73294 ? 380 HOH B O    1 
HETATM 3875 O  O    . HOH J 6 .   ? -9.44136  -21.11069 50.09162 1.000 36.25944 ? 381 HOH B O    1 
HETATM 3876 O  O    . HOH J 6 .   ? -20.541   -11.114   47.956   1.000 23.17223 ? 382 HOH B O    1 
HETATM 3877 O  O    . HOH J 6 .   ? 9.83866   -5.49706  48.65545 1.000 37.29999 ? 383 HOH B O    1 
HETATM 3878 O  O    . HOH J 6 .   ? -0.09528  -22.23380 46.94701 1.000 38.52160 ? 384 HOH B O    1 
HETATM 3879 O  O    . HOH J 6 .   ? 3.07945   -20.32746 47.16624 1.000 30.55290 ? 385 HOH B O    1 
HETATM 3880 O  O    . HOH J 6 .   ? -15.53326 -8.69848  27.22116 1.000 30.16351 ? 386 HOH B O    1 
HETATM 3881 O  O    . HOH J 6 .   ? -4.31953  -13.02789 57.82783 1.000 31.02663 ? 387 HOH B O    1 
HETATM 3882 O  O    . HOH J 6 .   ? 0.16876   -8.99099  31.56647 1.000 15.52485 ? 388 HOH B O    1 
HETATM 3883 O  O    A HOH J 6 .   ? -0.31778  -1.78678  35.68851 0.663 26.96332 ? 389 HOH B O    1 
HETATM 3884 O  O    B HOH J 6 .   ? 0.62310   -0.71347  33.46923 0.337 18.71933 ? 389 HOH B O    1 
HETATM 3885 O  O    . HOH J 6 .   ? -24.69266 -21.48864 33.15619 1.000 26.10773 ? 390 HOH B O    1 
HETATM 3886 O  O    . HOH J 6 .   ? 2.85703   -14.75801 51.38216 1.000 43.17959 ? 391 HOH B O    1 
HETATM 3887 O  O    . HOH J 6 .   ? 6.01061   -4.10410  42.55592 1.000 21.61765 ? 392 HOH B O    1 
HETATM 3888 O  O    A HOH J 6 .   ? -12.44894 -22.00180 47.97172 0.565 30.63111 ? 393 HOH B O    1 
HETATM 3889 O  O    B HOH J 6 .   ? -12.58710 -22.46050 49.94376 0.435 28.58049 ? 393 HOH B O    1 
HETATM 3890 O  O    . HOH J 6 .   ? -14.84840 -3.18815  29.34251 1.000 29.66707 ? 394 HOH B O    1 
HETATM 3891 O  O    . HOH J 6 .   ? -9.40819  -28.58810 37.99572 1.000 22.76511 ? 395 HOH B O    1 
HETATM 3892 O  O    . HOH J 6 .   ? -2.30363  -26.23518 31.70179 1.000 25.81441 ? 396 HOH B O    1 
HETATM 3893 O  O    . HOH J 6 .   ? 9.17214   -18.57215 39.04361 1.000 32.60932 ? 397 HOH B O    1 
HETATM 3894 O  O    . HOH J 6 .   ? -24.81973 -20.44796 36.14005 1.000 23.45353 ? 398 HOH B O    1 
HETATM 3895 O  O    . HOH J 6 .   ? 1.57154   -27.56487 37.47220 1.000 35.25203 ? 399 HOH B O    1 
HETATM 3896 O  O    . HOH J 6 .   ? -28.18653 -11.27259 39.65719 1.000 43.19774 ? 400 HOH B O    1 
HETATM 3897 O  O    . HOH J 6 .   ? -4.90095  -22.06867 28.00532 1.000 25.19045 ? 401 HOH B O    1 
HETATM 3898 O  O    . HOH J 6 .   ? -23.70192 -16.84792 40.57456 1.000 24.58265 ? 402 HOH B O    1 
HETATM 3899 O  O    . HOH J 6 .   ? 5.76647   -7.48121  48.64240 1.000 28.55198 ? 403 HOH B O    1 
HETATM 3900 O  O    . HOH J 6 .   ? -6.95066  -4.74413  27.96423 1.000 23.27469 ? 404 HOH B O    1 
HETATM 3901 O  O    . HOH J 6 .   ? 5.808     -2.499    39.974   1.000 26.24733 ? 405 HOH B O    1 
HETATM 3902 O  O    . HOH J 6 .   ? -1.23789  -22.61787 40.95487 1.000 26.95265 ? 406 HOH B O    1 
HETATM 3903 O  O    . HOH J 6 .   ? -17.71780 -14.34380 20.03647 1.000 20.71151 ? 407 HOH B O    1 
HETATM 3904 O  O    . HOH J 6 .   ? -7.81604  -6.88723  26.80922 1.000 36.02692 ? 408 HOH B O    1 
HETATM 3905 O  O    . HOH J 6 .   ? 1.20074   -21.60913 26.08496 1.000 40.62008 ? 409 HOH B O    1 
HETATM 3906 O  O    . HOH J 6 .   ? -3.54942  -17.32047 51.78135 1.000 26.68668 ? 410 HOH B O    1 
HETATM 3907 O  O    . HOH J 6 .   ? 6.56233   -16.83300 36.77602 1.000 24.05503 ? 411 HOH B O    1 
HETATM 3908 O  O    . HOH J 6 .   ? 8.45202   -6.10081  41.74969 1.000 24.19903 ? 412 HOH B O    1 
HETATM 3909 O  O    . HOH J 6 .   ? -16.03030 -11.57487 25.94386 1.000 24.31111 ? 413 HOH B O    1 
HETATM 3910 O  O    . HOH J 6 .   ? -0.14253  -20.17200 50.02226 1.000 29.11759 ? 414 HOH B O    1 
HETATM 3911 O  O    . HOH J 6 .   ? -21.99544 -2.18772  47.37197 1.000 46.40292 ? 415 HOH B O    1 
HETATM 3912 O  O    . HOH J 6 .   ? -7.163    -29.607   44.420   1.000 35.51479 ? 416 HOH B O    1 
HETATM 3913 O  O    . HOH J 6 .   ? -5.31151  0.38640   45.80911 1.000 26.58391 ? 417 HOH B O    1 
HETATM 3914 O  O    . HOH J 6 .   ? 6.39908   -14.13245 35.91160 1.000 27.76558 ? 418 HOH B O    1 
HETATM 3915 O  O    A HOH J 6 .   ? -1.80384  2.79188   39.49838 0.519 22.02748 ? 419 HOH B O    1 
HETATM 3916 O  O    B HOH J 6 .   ? -1.20696  4.37171   40.88662 0.481 15.06230 ? 419 HOH B O    1 
HETATM 3917 O  O    . HOH J 6 .   ? -10.25101 -24.66836 31.19687 1.000 40.04112 ? 420 HOH B O    1 
HETATM 3918 O  O    . HOH J 6 .   ? -19.85755 -25.51183 40.78875 1.000 34.97311 ? 421 HOH B O    1 
HETATM 3919 O  O    . HOH J 6 .   ? -18.71730 -12.68292 23.20898 1.000 31.90738 ? 422 HOH B O    1 
HETATM 3920 O  O    . HOH J 6 .   ? -6.674    -26.713   45.898   1.000 47.67197 ? 423 HOH B O    1 
HETATM 3921 O  O    . HOH J 6 .   ? 3.934     0.164     42.943   1.000 24.35785 ? 424 HOH B O    1 
HETATM 3922 O  O    . HOH J 6 .   ? -0.97149  -17.80971 52.13217 1.000 41.35398 ? 425 HOH B O    1 
HETATM 3923 O  O    . HOH J 6 .   ? -3.75184  -2.00856  31.54541 1.000 29.31769 ? 426 HOH B O    1 
HETATM 3924 O  O    . HOH J 6 .   ? -16.81718 -6.35565  50.29031 1.000 28.70464 ? 427 HOH B O    1 
HETATM 3925 O  O    . HOH J 6 .   ? -14.31221 -17.71507 48.65228 1.000 23.64502 ? 428 HOH B O    1 
HETATM 3926 O  O    . HOH J 6 .   ? 5.03208   -2.97495  46.41693 1.000 35.73719 ? 429 HOH B O    1 
HETATM 3927 O  O    . HOH J 6 .   ? -13.29673 -23.65754 28.18027 1.000 31.98922 ? 430 HOH B O    1 
HETATM 3928 O  O    . HOH J 6 .   ? -19.02238 -4.32042  48.62799 1.000 41.81932 ? 431 HOH B O    1 
HETATM 3929 O  O    . HOH J 6 .   ? -16.84625 -20.50575 25.86863 1.000 27.99800 ? 432 HOH B O    1 
HETATM 3930 O  O    . HOH J 6 .   ? -0.36537  -2.73550  48.93219 1.000 30.87212 ? 433 HOH B O    1 
HETATM 3931 O  O    . HOH J 6 .   ? 2.02608   -28.13788 33.56773 1.000 29.17006 ? 434 HOH B O    1 
HETATM 3932 O  O    . HOH J 6 .   ? -23.38886 -6.84900  30.86845 1.000 32.76901 ? 435 HOH B O    1 
HETATM 3933 O  O    . HOH J 6 .   ? 9.48657   -17.88936 41.19681 1.000 37.02682 ? 436 HOH B O    1 
HETATM 3934 O  O    . HOH J 6 .   ? -4.70176  -4.90782  27.10167 1.000 38.78190 ? 437 HOH B O    1 
HETATM 3935 O  O    . HOH J 6 .   ? -20.95715 -16.01545 41.51372 1.000 26.16724 ? 438 HOH B O    1 
HETATM 3936 O  O    . HOH J 6 .   ? 6.01990   -14.99616 31.56816 1.000 32.07532 ? 439 HOH B O    1 
HETATM 3937 O  O    . HOH J 6 .   ? -14.17861 -20.45224 48.93064 1.000 38.68673 ? 440 HOH B O    1 
HETATM 3938 O  O    . HOH J 6 .   ? -1.804    -14.553   57.385   1.000 41.14453 ? 441 HOH B O    1 
HETATM 3939 O  O    . HOH J 6 .   ? -28.60395 -18.05697 29.35861 1.000 41.77989 ? 442 HOH B O    1 
HETATM 3940 O  O    . HOH J 6 .   ? -6.79165  -26.62721 29.92885 1.000 40.08743 ? 443 HOH B O    1 
HETATM 3941 O  O    . HOH J 6 .   ? -9.52273  -21.63314 28.89628 1.000 22.02746 ? 444 HOH B O    1 
HETATM 3942 O  O    . HOH J 6 .   ? -18.56945 -12.75870 25.88932 1.000 27.77891 ? 445 HOH B O    1 
HETATM 3943 O  O    . HOH J 6 .   ? -24.02375 -9.09698  30.53533 1.000 30.08294 ? 446 HOH B O    1 
HETATM 3944 O  O    . HOH J 6 .   ? 1.76723   -10.76986 27.36917 1.000 27.57245 ? 447 HOH B O    1 
HETATM 3945 O  O    . HOH J 6 .   ? -14.47687 -6.26721  49.23315 1.000 22.40503 ? 448 HOH B O    1 
HETATM 3946 O  O    . HOH J 6 .   ? -24.76320 -13.56702 26.38879 1.000 40.36671 ? 449 HOH B O    1 
HETATM 3947 O  O    . HOH J 6 .   ? 2.02854   -17.67829 26.93936 1.000 26.01418 ? 450 HOH B O    1 
HETATM 3948 O  O    . HOH J 6 .   ? -15.15312 -17.67934 18.79939 1.000 19.86402 ? 451 HOH B O    1 
HETATM 3949 O  O    . HOH J 6 .   ? 6.03632   -1.74019  44.07963 1.000 32.19283 ? 452 HOH B O    1 
HETATM 3950 O  O    . HOH J 6 .   ? -0.44082  -7.61075  27.00021 1.000 25.74866 ? 453 HOH B O    1 
HETATM 3951 O  O    A HOH J 6 .   ? -22.37176 -15.20997 26.17129 0.454 23.67242 ? 454 HOH B O    1 
HETATM 3952 O  O    B HOH J 6 .   ? -22.69460 -17.42821 26.36337 0.546 28.54225 ? 454 HOH B O    1 
HETATM 3953 O  O    . HOH J 6 .   ? -13.63261 -8.35129  50.73589 0.500 20.60086 ? 455 HOH B O    1 
HETATM 3954 O  O    . HOH J 6 .   ? -0.22730  0.72576   46.16657 1.000 29.02425 ? 456 HOH B O    1 
HETATM 3955 O  O    . HOH J 6 .   ? -11.43643 -26.44783 33.37793 1.000 35.26874 ? 457 HOH B O    1 
HETATM 3956 O  O    . HOH J 6 .   ? -14.92126 -22.66397 26.23564 1.000 26.48433 ? 458 HOH B O    1 
HETATM 3957 O  O    . HOH J 6 .   ? -25.50498 -24.18001 29.40892 1.000 27.00406 ? 459 HOH B O    1 
HETATM 3958 O  O    A HOH J 6 .   ? 5.906     -4.915    50.243   0.636 26.87478 ? 460 HOH B O    1 
HETATM 3959 O  O    B HOH J 6 .   ? 4.512     -5.943    52.130   0.364 17.85163 ? 460 HOH B O    1 
HETATM 3960 O  O    . HOH J 6 .   ? 2.94104   -1.53376  46.57224 1.000 33.26738 ? 461 HOH B O    1 
HETATM 3961 O  O    . HOH J 6 .   ? 1.29993   -8.77544  29.01668 1.000 19.43232 ? 462 HOH B O    1 
HETATM 3962 O  O    . HOH J 6 .   ? -13.63261 -4.01145  50.73589 0.500 40.46315 ? 463 HOH B O    1 
HETATM 3963 O  O    A HOH J 6 .   ? -27.921   -13.583   44.775   0.676 29.80975 ? 464 HOH B O    1 
HETATM 3964 O  O    B HOH J 6 .   ? -29.388   -12.624   43.721   0.324 20.11667 ? 464 HOH B O    1 
HETATM 3965 O  O    . HOH J 6 .   ? -15.39692 -20.08304 23.09083 1.000 32.36156 ? 465 HOH B O    1 
HETATM 3966 O  O    . HOH J 6 .   ? -26.03886 -21.95004 28.23342 1.000 29.96425 ? 466 HOH B O    1 
HETATM 3967 O  O    . HOH J 6 .   ? -30.392   -18.299   27.805   1.000 38.25520 ? 467 HOH B O    1 
HETATM 3968 O  O    . HOH J 6 .   ? 0.95801   -5.48545  26.17092 1.000 36.50837 ? 468 HOH B O    1 
HETATM 3969 O  O    . HOH J 6 .   ? -16.48612 -21.44608 20.89175 1.000 36.70129 ? 469 HOH B O    1 
HETATM 3970 O  O    . HOH J 6 .   ? -0.35533  -2.92446  26.01544 1.000 38.52518 ? 470 HOH B O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLY A 1   ? 0.44631 0.43795 0.49282 0.03159  -0.00274 -0.01834 -3  GLY A N   
2    C CA  . GLY A 1   ? 0.43254 0.41856 0.47974 0.03424  -0.00183 -0.01437 -3  GLY A CA  
3    C C   . GLY A 1   ? 0.29961 0.28261 0.34514 0.03530  -0.00330 -0.01047 -3  GLY A C   
4    O O   . GLY A 1   ? 0.48963 0.47534 0.53285 0.03667  -0.00592 -0.00644 -3  GLY A O   
7    N N   A VAL A 2   ? 0.24459 0.22211 0.29001 0.03384  -0.00117 -0.01120 -2  VAL A N   
8    N N   B VAL A 2   ? 0.23086 0.20861 0.27617 0.03375  -0.00126 -0.01127 -2  VAL A N   
9    C CA  A VAL A 2   ? 0.17439 0.14897 0.21600 0.03344  -0.00188 -0.00706 -2  VAL A CA  
10   C CA  B VAL A 2   ? 0.16779 0.14239 0.20942 0.03356  -0.00196 -0.00692 -2  VAL A CA  
11   C C   A VAL A 2   ? 0.13454 0.10077 0.17713 0.03424  0.00106  -0.00459 -2  VAL A C   
12   C C   B VAL A 2   ? 0.14364 0.11000 0.18649 0.03458  0.00092  -0.00442 -2  VAL A C   
13   O O   A VAL A 2   ? 0.15935 0.12174 0.20477 0.03340  0.00431  -0.00760 -2  VAL A O   
14   O O   B VAL A 2   ? 0.22001 0.18280 0.26617 0.03428  0.00398  -0.00723 -2  VAL A O   
15   C CB  A VAL A 2   ? 0.10817 0.08444 0.14669 0.02979  -0.00176 -0.00961 -2  VAL A CB  
16   C CB  B VAL A 2   ? 0.15632 0.13207 0.19465 0.02996  -0.00177 -0.00903 -2  VAL A CB  
17   C CG1 A VAL A 2   ? 0.24931 0.22227 0.28385 0.02902  -0.00196 -0.00573 -2  VAL A CG1 
18   C CG1 B VAL A 2   ? 0.07958 0.06321 0.11702 0.02894  -0.00462 -0.01161 -2  VAL A CG1 
19   C CG2 A VAL A 2   ? 0.21741 0.20176 0.25504 0.02913  -0.00492 -0.01172 -2  VAL A CG2 
20   C CG2 B VAL A 2   ? 0.19038 0.16186 0.23017 0.02739  0.00216  -0.01299 -2  VAL A CG2 
39   N N   . PRO A 3   ? 0.13722 0.10034 0.17760 0.03574  0.00007  0.00077  -1  PRO A N   
40   C CA  . PRO A 3   ? 0.14903 0.10397 0.19033 0.03640  0.00284  0.00335  -1  PRO A CA  
41   C C   . PRO A 3   ? 0.15981 0.11058 0.20037 0.03289  0.00616  0.00052  -1  PRO A C   
42   O O   . PRO A 3   ? 0.16001 0.11359 0.19766 0.03004  0.00576  -0.00139 -1  PRO A O   
43   C CB  . PRO A 3   ? 0.18312 0.13691 0.22084 0.03780  0.00066  0.00940  -1  PRO A CB  
44   C CG  . PRO A 3   ? 0.19431 0.15564 0.23067 0.03905  -0.00337 0.01020  -1  PRO A CG  
45   C CD  . PRO A 3   ? 0.19071 0.15762 0.22756 0.03674  -0.00360 0.00470  -1  PRO A CD  
53   N N   . ALA A 4   ? 0.14386 0.08780 0.18722 0.03310  0.00943  0.00034  0   ALA A N   
54   C CA  . ALA A 4   ? 0.16023 0.09941 0.20291 0.02981  0.01272  -0.00171 0   ALA A CA  
55   C C   . ALA A 4   ? 0.14678 0.08454 0.18448 0.02837  0.01199  0.00212  0   ALA A C   
56   O O   . ALA A 4   ? 0.20552 0.14170 0.24138 0.03049  0.01037  0.00751  0   ALA A O   
57   C CB  . ALA A 4   ? 0.20047 0.13182 0.24687 0.03065  0.01609  -0.00140 0   ALA A CB  
63   N N   . GLY A 5   ? 0.14723 0.08584 0.18273 0.02476  0.01314  -0.00073 1   GLY A N   
64   C CA  . GLY A 5   ? 0.17495 0.11342 0.20560 0.02297  0.01244  0.00206  1   GLY A CA  
65   C C   . GLY A 5   ? 0.18637 0.11784 0.21625 0.02049  0.01600  0.00260  1   GLY A C   
66   O O   . GLY A 5   ? 0.16700 0.09507 0.19985 0.01891  0.01914  -0.00100 1   GLY A O   
70   N N   . ASP A 6   ? 0.16176 0.09144 0.18751 0.01999  0.01544  0.00704  2   ASP A N   
71   C CA  . ASP A 6   ? 0.16416 0.08760 0.18830 0.01751  0.01849  0.00845  2   ASP A CA  
72   C C   . ASP A 6   ? 0.15612 0.08347 0.17649 0.01393  0.01833  0.00625  2   ASP A C   
73   O O   . ASP A 6   ? 0.15944 0.09097 0.17588 0.01414  0.01560  0.00863  2   ASP A O   
74   C CB  . ASP A 6   ? 0.18149 0.10063 0.20347 0.01971  0.01770  0.01539  2   ASP A CB  
75   C CG  . ASP A 6   ? 0.27100 0.18345 0.29096 0.01740  0.02062  0.01792  2   ASP A CG  
76   O OD1 . ASP A 6   ? 0.24216 0.15537 0.26003 0.01376  0.02215  0.01540  2   ASP A OD1 
77   O OD2 . ASP A 6   ? 0.30084 0.20719 0.32135 0.01931  0.02132  0.02268  2   ASP A OD2 
82   N N   A VAL A 7   ? 0.13813 0.06434 0.15981 0.01068  0.02120  0.00156  3   VAL A N   
83   N N   B VAL A 7   ? 0.13825 0.06433 0.16000 0.01070  0.02125  0.00158  3   VAL A N   
84   C CA  A VAL A 7   ? 0.14861 0.07945 0.16743 0.00735  0.02093  -0.00147 3   VAL A CA  
85   C CA  B VAL A 7   ? 0.17147 0.10181 0.19050 0.00723  0.02124  -0.00160 3   VAL A CA  
86   C C   A VAL A 7   ? 0.17628 0.10522 0.19033 0.00572  0.02125  0.00250  3   VAL A C   
87   C C   B VAL A 7   ? 0.18736 0.11632 0.20145 0.00586  0.02117  0.00260  3   VAL A C   
88   O O   A VAL A 7   ? 0.13461 0.06865 0.14540 0.00404  0.01971  0.00158  3   VAL A O   
89   O O   B VAL A 7   ? 0.18083 0.11522 0.19161 0.00454  0.01926  0.00199  3   VAL A O   
90   C CB  A VAL A 7   ? 0.16927 0.09970 0.19090 0.00428  0.02386  -0.00767 3   VAL A CB  
91   C CB  B VAL A 7   ? 0.17633 0.10468 0.19824 0.00414  0.02473  -0.00715 3   VAL A CB  
92   C CG1 A VAL A 7   ? 0.24474 0.17833 0.27055 0.00579  0.02315  -0.01178 3   VAL A CG1 
93   C CG1 B VAL A 7   ? 0.13577 0.06611 0.15471 0.00018  0.02571  -0.00934 3   VAL A CG1 
94   C CG2 A VAL A 7   ? 0.16226 0.08442 0.18527 0.00269  0.02799  -0.00696 3   VAL A CG2 
95   C CG2 B VAL A 7   ? 0.14840 0.08126 0.17396 0.00487  0.02389  -0.01223 3   VAL A CG2 
114  N N   . GLU A 8   ? 0.16013 0.08191 0.17370 0.00611  0.02324  0.00688  4   GLU A N   
115  C CA  . GLU A 8   ? 0.15306 0.07330 0.16179 0.00462  0.02344  0.01102  4   GLU A CA  
116  C C   . GLU A 8   ? 0.19122 0.11596 0.19640 0.00703  0.01945  0.01511  4   GLU A C   
117  O O   . GLU A 8   ? 0.18215 0.11065 0.18313 0.00542  0.01822  0.01576  4   GLU A O   
118  C CB  . GLU A 8   ? 0.30492 0.21625 0.31403 0.00458  0.02639  0.01514  4   GLU A CB  
119  C CG  . GLU A 8   ? 0.39058 0.29702 0.40253 0.00157  0.03060  0.01149  4   GLU A CG  
120  C CD  . GLU A 8   ? 0.44445 0.35459 0.45432 -0.00255 0.03168  0.00740  4   GLU A CD  
121  O OE1 . GLU A 8   ? 0.45935 0.36990 0.46474 -0.00427 0.03165  0.01014  4   GLU A OE1 
122  O OE2 . GLU A 8   ? 0.44888 0.36192 0.46157 -0.00399 0.03241  0.00144  4   GLU A OE2 
129  N N   . LYS A 9   ? 0.18261 0.10704 0.18950 0.01088  0.01741  0.01791  5   LYS A N   
130  C CA  . LYS A 9   ? 0.17881 0.10804 0.18270 0.01323  0.01343  0.02141  5   LYS A CA  
131  C C   . LYS A 9   ? 0.16296 0.10064 0.16613 0.01248  0.01081  0.01729  5   LYS A C   
132  O O   . LYS A 9   ? 0.16742 0.10970 0.16680 0.01245  0.00818  0.01896  5   LYS A O   
133  C CB  . LYS A 9   ? 0.18127 0.10877 0.18777 0.01749  0.01184  0.02466  5   LYS A CB  
134  C CG  . LYS A 9   ? 0.20644 0.12572 0.21321 0.01857  0.01387  0.02964  5   LYS A CG  
135  C CD  . LYS A 9   ? 0.28134 0.19937 0.29080 0.02292  0.01207  0.03283  5   LYS A CD  
136  C CE  . LYS A 9   ? 0.29460 0.20447 0.30416 0.02404  0.01384  0.03813  5   LYS A CE  
137  N NZ  . LYS A 9   ? 0.45877 0.36739 0.47128 0.02836  0.01211  0.04114  5   LYS A NZ  
151  N N   . GLY A 10  ? 0.15580 0.09571 0.16264 0.01181  0.01144  0.01183  6   GLY A N   
152  C CA  . GLY A 10  ? 0.13488 0.08264 0.14141 0.01114  0.00891  0.00792  6   GLY A CA  
153  C C   . GLY A 10  ? 0.14397 0.09445 0.14736 0.00753  0.00944  0.00561  6   GLY A C   
154  O O   . GLY A 10  ? 0.13926 0.09618 0.14085 0.00725  0.00665  0.00433  6   GLY A O   
158  N N   . LYS A 11  ? 0.13163 0.07735 0.13464 0.00468  0.01306  0.00481  7   LYS A N   
159  C CA  . LYS A 11  ? 0.12557 0.07363 0.12548 0.00116  0.01381  0.00292  7   LYS A CA  
160  C C   . LYS A 11  ? 0.12698 0.07714 0.12192 0.00159  0.01161  0.00736  7   LYS A C   
161  O O   . LYS A 11  ? 0.14301 0.09885 0.13553 0.00011  0.00992  0.00555  7   LYS A O   
162  C CB  . LYS A 11  ? 0.15186 0.09371 0.15233 -0.00181 0.01828  0.00200  7   LYS A CB  
163  C CG  . LYS A 11  ? 0.20099 0.14510 0.19843 -0.00564 0.01940  -0.00004 7   LYS A CG  
164  C CD  . LYS A 11  ? 0.24476 0.18322 0.24353 -0.00885 0.02396  -0.00193 7   LYS A CD  
165  C CE  . LYS A 11  ? 0.36116 0.29151 0.35954 -0.00823 0.02631  0.00311  7   LYS A CE  
166  N NZ  . LYS A 11  ? 0.53222 0.45737 0.53236 -0.01151 0.03069  0.00076  7   LYS A NZ  
180  N N   . LYS A 12  ? 0.14886 0.09458 0.14229 0.00365  0.01155  0.01315  8   LYS A N   
181  C CA  . LYS A 12  ? 0.16006 0.10758 0.14866 0.00424  0.00945  0.01772  8   LYS A CA  
182  C C   . LYS A 12  ? 0.12692 0.08180 0.11488 0.00632  0.00502  0.01733  8   LYS A C   
183  O O   . LYS A 12  ? 0.14550 0.10514 0.12997 0.00533  0.00315  0.01743  8   LYS A O   
184  C CB  . LYS A 12  ? 0.17885 0.12004 0.16659 0.00643  0.01008  0.02401  8   LYS A CB  
185  C CG  . LYS A 12  ? 0.21093 0.15305 0.19338 0.00665  0.00852  0.02904  8   LYS A CG  
186  C CD  . LYS A 12  ? 0.30630 0.24182 0.28813 0.00883  0.00919  0.03537  8   LYS A CD  
187  C CE  . LYS A 12  ? 0.39454 0.33176 0.37111 0.00956  0.00703  0.04055  8   LYS A CE  
188  N NZ  . LYS A 12  ? 0.52352 0.45466 0.49993 0.01215  0.00721  0.04679  8   LYS A NZ  
202  N N   . ILE A 13  ? 0.13491 0.09105 0.12639 0.00916  0.00329  0.01666  9   ILE A N   
203  C CA  . ILE A 13  ? 0.12012 0.08336 0.11149 0.01098  -0.00087 0.01593  9   ILE A CA  
204  C C   . ILE A 13  ? 0.12455 0.09364 0.11566 0.00831  -0.00152 0.01060  9   ILE A C   
205  O O   . ILE A 13  ? 0.14077 0.11540 0.12941 0.00825  -0.00439 0.01062  9   ILE A O   
206  C CB  . ILE A 13  ? 0.15506 0.11859 0.15066 0.01415  -0.00219 0.01565  9   ILE A CB  
207  C CG1 . ILE A 13  ? 0.13122 0.08957 0.12711 0.01714  -0.00205 0.02114  9   ILE A CG1 
208  C CG2 . ILE A 13  ? 0.14441 0.11556 0.14024 0.01557  -0.00631 0.01424  9   ILE A CG2 
209  C CD1 . ILE A 13  ? 0.19055 0.14742 0.19137 0.01970  -0.00190 0.02022  9   ILE A CD1 
221  N N   . PHE A 14  ? 0.11655 0.08461 0.11042 0.00612  0.00103  0.00585  10  PHE A N   
222  C CA  . PHE A 14  ? 0.12438 0.09803 0.11845 0.00368  0.00035  0.00061  10  PHE A CA  
223  C C   . PHE A 14  ? 0.14224 0.11780 0.13205 0.00125  0.00037  0.00104  10  PHE A C   
224  O O   . PHE A 14  ? 0.11905 0.10080 0.10754 0.00090  -0.00237 -0.00060 10  PHE A O   
225  C CB  . PHE A 14  ? 0.13109 0.10291 0.12861 0.00151  0.00338  -0.00441 10  PHE A CB  
226  C CG  . PHE A 14  ? 0.13140 0.10917 0.12931 -0.00084 0.00246  -0.00973 10  PHE A CG  
227  C CD1 . PHE A 14  ? 0.10784 0.09102 0.10815 0.00038  -0.00031 -0.01260 10  PHE A CD1 
228  C CD2 . PHE A 14  ? 0.12188 0.10017 0.11767 -0.00415 0.00411  -0.01162 10  PHE A CD2 
229  C CE1 . PHE A 14  ? 0.13990 0.12848 0.14061 -0.00161 -0.00141 -0.01716 10  PHE A CE1 
230  C CE2 . PHE A 14  ? 0.12349 0.10756 0.11976 -0.00612 0.00297  -0.01646 10  PHE A CE2 
231  C CZ  . PHE A 14  ? 0.14063 0.12972 0.13936 -0.00480 0.00016  -0.01912 10  PHE A CZ  
241  N N   . VAL A 15  ? 0.12785 0.09826 0.11557 -0.00052 0.00347  0.00313  11  VAL A N   
242  C CA  . VAL A 15  ? 0.12955 0.10194 0.11319 -0.00307 0.00379  0.00331  11  VAL A CA  
243  C C   . VAL A 15  ? 0.14704 0.12327 0.12713 -0.00120 0.00023  0.00701  11  VAL A C   
244  O O   . VAL A 15  ? 0.13927 0.12077 0.11707 -0.00256 -0.00137 0.00539  11  VAL A O   
245  C CB  . VAL A 15  ? 0.16098 0.12704 0.14304 -0.00551 0.00797  0.00499  11  VAL A CB  
246  C CG1 . VAL A 15  ? 0.17699 0.14015 0.16259 -0.00776 0.01134  0.00058  11  VAL A CG1 
247  C CG2 . VAL A 15  ? 0.23540 0.19550 0.21643 -0.00335 0.00863  0.01097  11  VAL A CG2 
257  N N   . GLN A 16  ? 0.13548 0.10922 0.11513 0.00195  -0.00109 0.01199  12  GLN A N   
258  C CA  . GLN A 16  ? 0.13878 0.11577 0.11486 0.00371  -0.00432 0.01588  12  GLN A CA  
259  C C   . GLN A 16  ? 0.14634 0.13016 0.12371 0.00566  -0.00857 0.01412  12  GLN A C   
260  O O   . GLN A 16  ? 0.18086 0.16904 0.15527 0.00619  -0.01136 0.01563  12  GLN A O   
261  C CB  . GLN A 16  ? 0.14394 0.11585 0.11903 0.00642  -0.00431 0.02208  12  GLN A CB  
262  C CG  . GLN A 16  ? 0.16477 0.12971 0.13802 0.00480  -0.00054 0.02507  12  GLN A CG  
263  C CD  . GLN A 16  ? 0.15440 0.11496 0.12610 0.00750  -0.00104 0.03162  12  GLN A CD  
264  O OE1 . GLN A 16  ? 0.19370 0.15619 0.16613 0.01081  -0.00412 0.03388  12  GLN A OE1 
265  N NE2 . GLN A 16  ? 0.21153 0.16640 0.18109 0.00607  0.00187  0.03473  12  GLN A NE2 
274  N N   . ARG A 17  ? 0.13946 0.12438 0.12113 0.00674  -0.00919 0.01112  13  ARG A N   
275  C CA  . ARG A 17  ? 0.12516 0.11604 0.10824 0.00883  -0.01323 0.01011  13  ARG A CA  
276  C C   . ARG A 17  ? 0.13443 0.13019 0.12000 0.00720  -0.01398 0.00419  13  ARG A C   
277  O O   . ARG A 17  ? 0.15212 0.15346 0.13839 0.00842  -0.01751 0.00317  13  ARG A O   
278  C CB  . ARG A 17  ? 0.14381 0.13271 0.12997 0.01222  -0.01416 0.01230  13  ARG A CB  
279  C CG  . ARG A 17  ? 0.17850 0.16265 0.16293 0.01437  -0.01380 0.01824  13  ARG A CG  
280  C CD  . ARG A 17  ? 0.20026 0.18722 0.18043 0.01510  -0.01641 0.02187  13  ARG A CD  
281  N NE  . ARG A 17  ? 0.23708 0.23051 0.21786 0.01690  -0.02063 0.02126  13  ARG A NE  
282  C CZ  . ARG A 17  ? 0.25638 0.25060 0.23873 0.02021  -0.02306 0.02395  13  ARG A CZ  
283  N NH1 . ARG A 17  ? 0.31572 0.30469 0.29920 0.02229  -0.02180 0.02750  13  ARG A NH1 
284  N NH2 . ARG A 17  ? 0.37039 0.37075 0.35320 0.02144  -0.02686 0.02313  13  ARG A NH2 
298  N N   . CYS A 18  ? 0.15772 0.11789 0.13560 -0.00153 -0.00325 0.00530  14  CYS A N   
299  C CA  . CYS A 18  ? 0.12505 0.08780 0.11207 -0.00059 -0.00337 0.00178  14  CYS A CA  
300  C C   . CYS A 18  ? 0.12460 0.09166 0.11417 -0.00021 0.00189  -0.00139 14  CYS A C   
301  O O   . CYS A 18  ? 0.12493 0.09378 0.11998 0.00124  0.00115  -0.00549 14  CYS A O   
302  C CB  . CYS A 18  ? 0.11929 0.08233 0.11468 -0.00202 -0.00400 0.00422  14  CYS A CB  
303  S SG  . CYS A 18  ? 0.12535 0.08387 0.12034 -0.00315 -0.00783 0.00878  14  CYS A SG  
308  N N   . ALA A 19  ? 0.11769 0.08660 0.10497 -0.00155 0.00722  0.00075  15  ALA A N   
309  C CA  . ALA A 19  ? 0.11369 0.08702 0.10606 -0.00139 0.01276  -0.00181 15  ALA A CA  
310  C C   . ALA A 19  ? 0.15760 0.13202 0.14678 0.00061  0.01442  -0.00724 15  ALA A C   
311  O O   . ALA A 19  ? 0.13323 0.11131 0.13021 0.00130  0.01787  -0.01059 15  ALA A O   
312  C CB  . ALA A 19  ? 0.11499 0.08987 0.10548 -0.00332 0.01835  0.00214  15  ALA A CB  
318  N N   . GLN A 20  ? 0.13831 0.10958 0.11697 0.00152  0.01199  -0.00850 16  GLN A N   
319  C CA  . GLN A 20  ? 0.14775 0.11958 0.12365 0.00353  0.01308  -0.01468 16  GLN A CA  
320  C C   . GLN A 20  ? 0.12712 0.10093 0.11606 0.00517  0.01085  -0.01879 16  GLN A C   
321  O O   . GLN A 20  ? 0.16199 0.13838 0.15531 0.00653  0.01412  -0.02388 16  GLN A O   
322  C CB  . GLN A 20  ? 0.19097 0.15825 0.15532 0.00424  0.00828  -0.01552 16  GLN A CB  
323  C CG  . GLN A 20  ? 0.22970 0.19664 0.19253 0.00653  0.00751  -0.02270 16  GLN A CG  
324  C CD  . GLN A 20  ? 0.28499 0.24710 0.24099 0.00739  0.00032  -0.02353 16  GLN A CD  
325  O OE1 . GLN A 20  ? 0.26468 0.22342 0.21569 0.00620  -0.00398 -0.01841 16  GLN A OE1 
326  N NE2 . GLN A 20  ? 0.28988 0.25154 0.24711 0.00949  -0.00124 -0.03009 16  GLN A NE2 
335  N N   . CYS A 21  ? 0.11595 0.08857 0.11152 0.00493  0.00540  -0.01650 17  CYS A N   
336  C CA  . CYS A 21  ? 0.09901 0.07286 0.10587 0.00622  0.00187  -0.01930 17  CYS A CA  
337  C C   . CYS A 21  ? 0.10410 0.08041 0.12165 0.00488  0.00156  -0.01685 17  CYS A C   
338  O O   . CYS A 21  ? 0.12936 0.10696 0.15649 0.00561  -0.00148 -0.01862 17  CYS A O   
339  C CB  . CYS A 21  ? 0.10267 0.07267 0.10788 0.00714  -0.00518 -0.01906 17  CYS A CB  
340  S SG  . CYS A 21  ? 0.14477 0.11163 0.13885 0.00887  -0.00632 -0.02314 17  CYS A SG  
345  N N   . HIS A 22  ? 0.11057 0.08731 0.12688 0.00282  0.00404  -0.01279 18  HIS A N   
346  C CA  . HIS A 22  ? 0.09133 0.06952 0.11612 0.00125  0.00283  -0.01054 18  HIS A CA  
347  C C   . HIS A 22  ? 0.10312 0.08390 0.13028 -0.00042 0.00827  -0.00869 18  HIS A C   
348  O O   . HIS A 22  ? 0.11575 0.09572 0.13580 -0.00121 0.01171  -0.00635 18  HIS A O   
349  C CB  . HIS A 22  ? 0.07993 0.05481 0.10183 0.00004  -0.00135 -0.00693 18  HIS A CB  
350  C CG  . HIS A 22  ? 0.09788 0.07034 0.11984 0.00122  -0.00705 -0.00768 18  HIS A CG  
351  N ND1 . HIS A 22  ? 0.11129 0.08488 0.14111 0.00144  -0.01064 -0.00870 18  HIS A ND1 
352  C CD2 . HIS A 22  ? 0.11052 0.07943 0.12628 0.00204  -0.01003 -0.00701 18  HIS A CD2 
353  C CE1 . HIS A 22  ? 0.09749 0.06841 0.12593 0.00241  -0.01516 -0.00852 18  HIS A CE1 
354  N NE2 . HIS A 22  ? 0.07083 0.03887 0.09120 0.00284  -0.01489 -0.00768 18  HIS A NE2 
362  N N   . THR A 23  ? 0.09454 0.07819 0.13224 -0.00116 0.00831  -0.00922 19  THR A N   
363  C CA  . THR A 23  ? 0.09131 0.07701 0.13378 -0.00311 0.01175  -0.00703 19  THR A CA  
364  C C   . THR A 23  ? 0.10555 0.08990 0.15099 -0.00496 0.00748  -0.00490 19  THR A C   
365  O O   . THR A 23  ? 0.10768 0.09042 0.15318 -0.00472 0.00230  -0.00536 19  THR A O   
366  C CB  . THR A 23  ? 0.08780 0.07785 0.14112 -0.00277 0.01511  -0.00949 19  THR A CB  
367  O OG1 . THR A 23  ? 0.10761 0.09860 0.16982 -0.00232 0.01016  -0.01149 19  THR A OG1 
368  C CG2 . THR A 23  ? 0.12165 0.11307 0.17186 -0.00106 0.02029  -0.01219 19  THR A CG2 
376  N N   . VAL A 24  ? 0.10335 0.08832 0.15118 -0.00692 0.00993  -0.00261 20  VAL A N   
377  C CA  . VAL A 24  ? 0.09237 0.07589 0.14228 -0.00895 0.00681  -0.00118 20  VAL A CA  
378  C C   . VAL A 24  ? 0.10393 0.09024 0.16405 -0.01053 0.00699  -0.00183 20  VAL A C   
379  O O   . VAL A 24  ? 0.12457 0.10977 0.18638 -0.01219 0.00325  -0.00182 20  VAL A O   
380  C CB  . VAL A 24  ? 0.10550 0.08634 0.14991 -0.01020 0.00844  0.00197  20  VAL A CB  
381  C CG1 . VAL A 24  ? 0.16422 0.14157 0.19977 -0.00910 0.00632  0.00293  20  VAL A CG1 
382  C CG2 . VAL A 24  ? 0.14779 0.13034 0.19322 -0.01072 0.01410  0.00395  20  VAL A CG2 
392  N N   . GLU A 25  ? 0.12719 0.11681 0.19387 -0.01032 0.01128  -0.00229 21  GLU A N   
393  C CA  . GLU A 25  ? 0.12406 0.11606 0.20146 -0.01206 0.01142  -0.00244 21  GLU A CA  
394  C C   . GLU A 25  ? 0.11080 0.10430 0.19595 -0.01201 0.00643  -0.00473 21  GLU A C   
395  O O   . GLU A 25  ? 0.13733 0.13116 0.22218 -0.01024 0.00450  -0.00636 21  GLU A O   
396  C CB  . GLU A 25  ? 0.18406 0.17919 0.26709 -0.01193 0.01811  -0.00166 21  GLU A CB  
397  C CG  . GLU A 25  ? 0.30157 0.29988 0.39005 -0.01003 0.02078  -0.00408 21  GLU A CG  
398  C CD  . GLU A 25  ? 0.39086 0.38827 0.46910 -0.00794 0.02384  -0.00481 21  GLU A CD  
399  O OE1 . GLU A 25  ? 0.27344 0.26739 0.34020 -0.00777 0.02208  -0.00344 21  GLU A OE1 
400  O OE2 . GLU A 25  ? 0.28435 0.28451 0.36655 -0.00653 0.02816  -0.00699 21  GLU A OE2 
407  N N   . ALA A 26  ? 0.11470 0.10903 0.20749 -0.01413 0.00388  -0.00478 22  ALA A N   
408  C CA  . ALA A 26  ? 0.11827 0.11442 0.21878 -0.01411 -0.00120 -0.00621 22  ALA A CA  
409  C C   . ALA A 26  ? 0.11555 0.11522 0.22714 -0.01264 0.00174  -0.00775 22  ALA A C   
410  O O   . ALA A 26  ? 0.12299 0.12501 0.23985 -0.01234 0.00785  -0.00754 22  ALA A O   
411  C CB  . ALA A 26  ? 0.10402 0.10091 0.20617 -0.01507 -0.00350 -0.00574 22  ALA A CB  
417  N N   . GLY A 27  ? 0.13245 0.13264 0.24728 -0.01140 -0.00233 -0.00917 23  GLY A N   
418  C CA  . GLY A 27  ? 0.17524 0.17870 0.30025 -0.00939 0.00058  -0.01123 23  GLY A CA  
419  C C   . GLY A 27  ? 0.11640 0.11985 0.23432 -0.00695 0.00690  -0.01254 23  GLY A C   
420  O O   . GLY A 27  ? 0.13423 0.14034 0.25993 -0.00521 0.01049  -0.01498 23  GLY A O   
424  N N   . GLY A 28  ? 0.12519 0.12557 0.22879 -0.00685 0.00820  -0.01121 24  GLY A N   
425  C CA  . GLY A 28  ? 0.12810 0.12796 0.22335 -0.00480 0.01319  -0.01239 24  GLY A CA  
426  C C   . GLY A 28  ? 0.15613 0.15567 0.25207 -0.00259 0.01027  -0.01536 24  GLY A C   
427  O O   . GLY A 28  ? 0.14292 0.14144 0.24164 -0.00275 0.00352  -0.01528 24  GLY A O   
431  N N   . LYS A 29  ? 0.12357 0.12399 0.21705 -0.00061 0.01556  -0.01805 25  LYS A N   
432  C CA  . LYS A 29  ? 0.11545 0.11591 0.21196 0.00166  0.01355  -0.02178 25  LYS A CA  
433  C C   . LYS A 29  ? 0.09608 0.09250 0.18105 0.00240  0.00877  -0.02135 25  LYS A C   
434  O O   . LYS A 29  ? 0.12355 0.11719 0.19598 0.00172  0.00932  -0.01896 25  LYS A O   
435  C CB  . LYS A 29  ? 0.13241 0.13490 0.22919 0.00345  0.02131  -0.02565 25  LYS A CB  
436  C CG  . LYS A 29  ? 0.19275 0.19308 0.27322 0.00367  0.02586  -0.02522 25  LYS A CG  
437  C CD  . LYS A 29  ? 0.31834 0.32106 0.39883 0.00500  0.03449  -0.02923 25  LYS A CD  
438  C CE  . LYS A 29  ? 0.44292 0.44355 0.50574 0.00462  0.03915  -0.02792 25  LYS A CE  
439  N NZ  . LYS A 29  ? 0.60669 0.60955 0.66751 0.00558  0.04809  -0.03187 25  LYS A NZ  
453  N N   . HIS A 30  ? 0.11074 0.10689 0.20167 0.00369  0.00367  -0.02328 26  HIS A N   
454  C CA  . HIS A 30  ? 0.10698 0.09990 0.18970 0.00516  0.00035  -0.02426 26  HIS A CA  
455  C C   . HIS A 30  ? 0.11894 0.11156 0.19466 0.00702  0.00600  -0.02812 26  HIS A C   
456  O O   . HIS A 30  ? 0.14236 0.13788 0.22422 0.00794  0.01154  -0.03162 26  HIS A O   
457  C CB  . HIS A 30  ? 0.14129 0.13455 0.23469 0.00617  -0.00592 -0.02556 26  HIS A CB  
458  C CG  . HIS A 30  ? 0.10275 0.09630 0.20227 0.00408  -0.01189 -0.02175 26  HIS A CG  
459  N ND1 . HIS A 30  ? 0.12535 0.11676 0.21617 0.00190  -0.01384 -0.01769 26  HIS A ND1 
460  C CD2 . HIS A 30  ? 0.13362 0.12923 0.24680 0.00364  -0.01641 -0.02141 26  HIS A CD2 
461  C CE1 . HIS A 30  ? 0.12312 0.11518 0.22051 0.00012  -0.01910 -0.01534 26  HIS A CE1 
462  N NE2 . HIS A 30  ? 0.11300 0.10758 0.22387 0.00106  -0.02119 -0.01715 26  HIS A NE2 
470  N N   . LYS A 31  ? 0.10928 0.09826 0.17179 0.00741  0.00468  -0.02744 27  LYS A N   
471  C CA  . LYS A 31  ? 0.13007 0.11784 0.18414 0.00913  0.00810  -0.03141 27  LYS A CA  
472  C C   . LYS A 31  ? 0.12514 0.11013 0.17901 0.01083  0.00185  -0.03349 27  LYS A C   
473  O O   . LYS A 31  ? 0.15856 0.14441 0.22407 0.01138  -0.00285 -0.03395 27  LYS A O   
474  C CB  . LYS A 31  ? 0.15909 0.14493 0.19812 0.00790  0.01178  -0.02855 27  LYS A CB  
475  C CG  . LYS A 31  ? 0.18768 0.17651 0.22882 0.00610  0.01801  -0.02597 27  LYS A CG  
476  C CD  . LYS A 31  ? 0.23391 0.22079 0.26184 0.00454  0.02076  -0.02189 27  LYS A CD  
477  C CE  . LYS A 31  ? 0.29322 0.27987 0.31017 0.00512  0.02652  -0.02413 27  LYS A CE  
478  N NZ  . LYS A 31  ? 0.23219 0.21754 0.23899 0.00305  0.02893  -0.01865 27  LYS A NZ  
492  N N   . VAL A 32  ? 0.12386 0.10541 0.16533 0.01154  0.00115  -0.03439 28  VAL A N   
493  C CA  . VAL A 32  ? 0.14934 0.12782 0.19118 0.01280  -0.00573 -0.03515 28  VAL A CA  
494  C C   . VAL A 32  ? 0.10368 0.08117 0.14950 0.01141  -0.01151 -0.02966 28  VAL A C   
495  O O   . VAL A 32  ? 0.14183 0.11886 0.19572 0.01213  -0.01700 -0.02966 28  VAL A O   
496  C CB  . VAL A 32  ? 0.14056 0.11518 0.16808 0.01346  -0.00609 -0.03654 28  VAL A CB  
497  C CG1 . VAL A 32  ? 0.20365 0.17471 0.23193 0.01432  -0.01382 -0.03570 28  VAL A CG1 
498  C CG2 . VAL A 32  ? 0.22202 0.19749 0.24722 0.01514  -0.00146 -0.04352 28  VAL A CG2 
508  N N   . GLY A 33  ? 0.12068 0.09801 0.16159 0.00926  -0.01006 -0.02500 29  GLY A N   
509  C CA  . GLY A 33  ? 0.11055 0.08711 0.15432 0.00762  -0.01429 -0.02036 29  GLY A CA  
510  C C   . GLY A 33  ? 0.09925 0.07908 0.15073 0.00592  -0.01277 -0.01877 29  GLY A C   
511  O O   . GLY A 33  ? 0.09835 0.08102 0.15263 0.00579  -0.00771 -0.02039 29  GLY A O   
515  N N   . PRO A 34  ? 0.11653 0.09582 0.17099 0.00435  -0.01703 -0.01539 30  PRO A N   
516  C CA  . PRO A 34  ? 0.07313 0.05513 0.13481 0.00250  -0.01691 -0.01401 30  PRO A CA  
517  C C   . PRO A 34  ? 0.08575 0.06812 0.14276 0.00065  -0.01244 -0.01216 30  PRO A C   
518  O O   . PRO A 34  ? 0.10384 0.08367 0.15179 0.00003  -0.01112 -0.01017 30  PRO A O   
519  C CB  . PRO A 34  ? 0.11233 0.09289 0.17551 0.00117  -0.02304 -0.01093 30  PRO A CB  
520  C CG  . PRO A 34  ? 0.15390 0.13060 0.20803 0.00166  -0.02434 -0.00946 30  PRO A CG  
521  C CD  . PRO A 34  ? 0.11231 0.08858 0.16458 0.00426  -0.02244 -0.01304 30  PRO A CD  
529  N N   . ASN A 35  ? 0.09714 0.08270 0.16202 -0.00030 -0.01050 -0.01262 31  ASN A N   
530  C CA  . ASN A 35  ? 0.09563 0.08162 0.15886 -0.00248 -0.00760 -0.01046 31  ASN A CA  
531  C C   . ASN A 35  ? 0.11328 0.09662 0.17193 -0.00452 -0.01142 -0.00751 31  ASN A C   
532  O O   . ASN A 35  ? 0.11202 0.09465 0.17260 -0.00497 -0.01665 -0.00684 31  ASN A O   
533  C CB  . ASN A 35  ? 0.12167 0.11142 0.19647 -0.00329 -0.00652 -0.01137 31  ASN A CB  
534  C CG  . ASN A 35  ? 0.10425 0.09427 0.17933 -0.00587 -0.00519 -0.00917 31  ASN A CG  
535  O OD1 . ASN A 35  ? 0.11908 0.10862 0.19644 -0.00785 -0.00962 -0.00792 31  ASN A OD1 
536  N ND2 . ASN A 35  ? 0.10592 0.09667 0.17883 -0.00600 0.00075  -0.00874 31  ASN A ND2 
543  N N   . LEU A 36  ? 0.10484 0.08672 0.15770 -0.00587 -0.00858 -0.00566 32  LEU A N   
544  C CA  . LEU A 36  ? 0.13607 0.11506 0.18397 -0.00763 -0.01088 -0.00348 32  LEU A CA  
545  C C   . LEU A 36  ? 0.10458 0.08433 0.15568 -0.01031 -0.01076 -0.00287 32  LEU A C   
546  O O   . LEU A 36  ? 0.12555 0.10300 0.17228 -0.01191 -0.01122 -0.00163 32  LEU A O   
547  C CB  . LEU A 36  ? 0.10190 0.07799 0.14175 -0.00721 -0.00852 -0.00193 32  LEU A CB  
548  C CG  . LEU A 36  ? 0.10457 0.07916 0.14005 -0.00480 -0.00949 -0.00263 32  LEU A CG  
549  C CD1 . LEU A 36  ? 0.11824 0.09006 0.14659 -0.00488 -0.00748 -0.00057 32  LEU A CD1 
550  C CD2 . LEU A 36  ? 0.12038 0.09338 0.15625 -0.00422 -0.01464 -0.00259 32  LEU A CD2 
562  N N   . HIS A 37  ? 0.10272 0.08559 0.16177 -0.01084 -0.01000 -0.00395 33  HIS A N   
563  C CA  . HIS A 37  ? 0.10711 0.09065 0.16893 -0.01330 -0.01051 -0.00365 33  HIS A CA  
564  C C   . HIS A 37  ? 0.10665 0.08973 0.16287 -0.01387 -0.01523 -0.00304 33  HIS A C   
565  O O   . HIS A 37  ? 0.13662 0.12044 0.19401 -0.01293 -0.01906 -0.00294 33  HIS A O   
566  C CB  . HIS A 37  ? 0.12783 0.11511 0.20035 -0.01342 -0.00996 -0.00483 33  HIS A CB  
567  C CG  . HIS A 37  ? 0.16127 0.14981 0.23467 -0.01494 -0.01106 -0.00458 33  HIS A CG  
568  N ND1 . HIS A 37  ? 0.19849 0.18647 0.27042 -0.01614 -0.00770 -0.00410 33  HIS A ND1 
569  C CD2 . HIS A 37  ? 0.16008 0.14977 0.23492 -0.01549 -0.01554 -0.00473 33  HIS A CD2 
570  C CE1 . HIS A 37  ? 0.16562 0.15440 0.23855 -0.01738 -0.01002 -0.00459 33  HIS A CE1 
571  N NE2 . HIS A 37  ? 0.20178 0.19143 0.27611 -0.01716 -0.01478 -0.00490 33  HIS A NE2 
580  N N   . GLY A 38  ? 0.07271 0.11460 0.15142 -0.02566 -0.01296 -0.02524 34  GLY A N   
581  C CA  . GLY A 38  ? 0.10668 0.14321 0.17610 -0.02348 -0.01674 -0.02294 34  GLY A CA  
582  C C   . GLY A 38  ? 0.12153 0.14803 0.18124 -0.02279 -0.01487 -0.01796 34  GLY A C   
583  O O   . GLY A 38  ? 0.16354 0.18456 0.21498 -0.02050 -0.01794 -0.01572 34  GLY A O   
587  N N   . LEU A 39  ? 0.10132 0.12506 0.16140 -0.02488 -0.00971 -0.01633 35  LEU A N   
588  C CA  . LEU A 39  ? 0.11273 0.12783 0.16470 -0.02420 -0.00763 -0.01211 35  LEU A CA  
589  C C   . LEU A 39  ? 0.14294 0.15156 0.18454 -0.02535 -0.00793 -0.00996 35  LEU A C   
590  O O   . LEU A 39  ? 0.12890 0.13060 0.16249 -0.02339 -0.00900 -0.00696 35  LEU A O   
591  C CB  . LEU A 39  ? 0.10454 0.11930 0.15958 -0.02685 -0.00181 -0.01172 35  LEU A CB  
592  C CG  . LEU A 39  ? 0.10562 0.11266 0.15359 -0.02690 0.00137  -0.00809 35  LEU A CG  
593  C CD1 . LEU A 39  ? 0.10720 0.11140 0.15381 -0.02310 -0.00073 -0.00617 35  LEU A CD1 
594  C CD2 . LEU A 39  ? 0.12791 0.13571 0.17936 -0.02954 0.00685  -0.00848 35  LEU A CD2 
606  N N   . PHE A 40  ? 0.10562 0.11588 0.14684 -0.02871 -0.00660 -0.01143 36  PHE A N   
607  C CA  . PHE A 40  ? 0.10317 0.10741 0.13478 -0.03015 -0.00632 -0.00945 36  PHE A CA  
608  C C   . PHE A 40  ? 0.12805 0.13107 0.15493 -0.02760 -0.01180 -0.00925 36  PHE A C   
609  O O   . PHE A 40  ? 0.15563 0.16459 0.18703 -0.02706 -0.01517 -0.01214 36  PHE A O   
610  C CB  . PHE A 40  ? 0.13653 0.14239 0.16869 -0.03437 -0.00311 -0.01103 36  PHE A CB  
611  C CG  . PHE A 40  ? 0.11763 0.12160 0.15042 -0.03653 0.00253  -0.01028 36  PHE A CG  
612  C CD1 . PHE A 40  ? 0.15029 0.15858 0.19135 -0.03672 0.00478  -0.01187 36  PHE A CD1 
613  C CD2 . PHE A 40  ? 0.13438 0.13230 0.15933 -0.03818 0.00550  -0.00818 36  PHE A CD2 
614  C CE1 . PHE A 40  ? 0.14068 0.14678 0.18055 -0.03702 0.00921  -0.01060 36  PHE A CE1 
615  C CE2 . PHE A 40  ? 0.12389 0.12053 0.14880 -0.03831 0.00983  -0.00736 36  PHE A CE2 
616  C CZ  . PHE A 40  ? 0.12326 0.12377 0.15426 -0.03632 0.01092  -0.00796 36  PHE A CZ  
626  N N   . GLY A 41  ? 0.12516 0.12041 0.14282 -0.02599 -0.01260 -0.00604 37  GLY A N   
627  C CA  . GLY A 41  ? 0.13310 0.12562 0.14503 -0.02282 -0.01782 -0.00539 37  GLY A CA  
628  C C   . GLY A 41  ? 0.17564 0.16784 0.18890 -0.01814 -0.02113 -0.00501 37  GLY A C   
629  O O   . GLY A 41  ? 0.25249 0.24233 0.26089 -0.01482 -0.02586 -0.00471 37  GLY A O   
633  N N   . ARG A 42  ? 0.18150 0.17613 0.20121 -0.01759 -0.01897 -0.00523 38  ARG A N   
634  C CA  . ARG A 42  ? 0.19118 0.18552 0.21251 -0.01313 -0.02173 -0.00488 38  ARG A CA  
635  C C   . ARG A 42  ? 0.15355 0.13801 0.16604 -0.01217 -0.01969 -0.00094 38  ARG A C   
636  O O   . ARG A 42  ? 0.14399 0.12588 0.15554 -0.01512 -0.01471 0.00048  38  ARG A O   
637  C CB  . ARG A 42  ? 0.25271 0.25478 0.28576 -0.01357 -0.01981 -0.00720 38  ARG A CB  
638  C CG  . ARG A 42  ? 0.37175 0.37778 0.41022 -0.00900 -0.02374 -0.00868 38  ARG A CG  
639  C CD  . ARG A 42  ? 0.20344 0.21879 0.25464 -0.01030 -0.02180 -0.01187 38  ARG A CD  
640  N NE  . ARG A 42  ? 0.20020 0.21341 0.25353 -0.01115 -0.01728 -0.01009 38  ARG A NE  
641  C CZ  . ARG A 42  ? 0.15376 0.17345 0.21705 -0.01216 -0.01500 -0.01222 38  ARG A CZ  
642  N NH1 . ARG A 42  ? 0.19915 0.22794 0.27131 -0.01286 -0.01648 -0.01638 38  ARG A NH1 
643  N NH2 . ARG A 42  ? 0.15401 0.17115 0.21845 -0.01255 -0.01113 -0.01039 38  ARG A NH2 
654  N N   . LYS A 43  ? 0.14452 0.12319 0.15012 -0.00808 -0.02339 0.00063  39  LYS A N   
655  C CA  . LYS A 43  ? 0.15759 0.12697 0.15549 -0.00706 -0.02123 0.00402  39  LYS A CA  
656  C C   . LYS A 43  ? 0.14988 0.12234 0.15541 -0.00620 -0.01906 0.00377  39  LYS A C   
657  O O   . LYS A 43  ? 0.17004 0.15109 0.18574 -0.00534 -0.02040 0.00105  39  LYS A O   
658  C CB  . LYS A 43  ? 0.21409 0.17566 0.20193 -0.00270 -0.02572 0.00568  39  LYS A CB  
659  C CG  . LYS A 43  ? 0.24413 0.19974 0.22185 -0.00414 -0.02648 0.00692  39  LYS A CG  
660  C CD  . LYS A 43  ? 0.38324 0.33064 0.35042 0.00028  -0.03094 0.00843  39  LYS A CD  
661  C CE  . LYS A 43  ? 0.45995 0.40178 0.41746 -0.00154 -0.03140 0.00954  39  LYS A CE  
662  N NZ  . LYS A 43  ? 0.41860 0.35264 0.36555 0.00306  -0.03635 0.01066  39  LYS A NZ  
676  N N   . THR A 44  ? 0.12922 0.09484 0.12997 -0.00667 -0.01548 0.00639  40  THR A N   
677  C CA  . THR A 44  ? 0.14093 0.10891 0.14835 -0.00574 -0.01339 0.00633  40  THR A CA  
678  C C   . THR A 44  ? 0.17309 0.14295 0.18325 -0.00060 -0.01830 0.00541  40  THR A C   
679  O O   . THR A 44  ? 0.18780 0.15312 0.19090 0.00285  -0.02273 0.00600  40  THR A O   
680  C CB  . THR A 44  ? 0.15201 0.11155 0.15274 -0.00650 -0.00930 0.00925  40  THR A CB  
681  O OG1 . THR A 44  ? 0.25971 0.21020 0.25026 -0.00320 -0.01197 0.01135  40  THR A OG1 
682  C CG2 . THR A 44  ? 0.16661 0.12369 0.16372 -0.01121 -0.00433 0.01009  40  THR A CG2 
690  N N   . GLY A 45  ? 0.16278 0.13922 0.18301 0.00012  -0.01753 0.00385  41  GLY A N   
691  C CA  . GLY A 45  ? 0.19449 0.17193 0.21706 0.00512  -0.02141 0.00325  41  GLY A CA  
692  C C   . GLY A 45  ? 0.19433 0.17921 0.22202 0.00808  -0.02715 -0.00004 41  GLY A C   
693  O O   . GLY A 45  ? 0.19200 0.17567 0.21809 0.01315  -0.03155 -0.00033 41  GLY A O   
697  N N   . GLN A 46  ? 0.13808 0.13078 0.17198 0.00519  -0.02721 -0.00281 42  GLN A N   
698  C CA  . GLN A 46  ? 0.15854 0.15787 0.19589 0.00760  -0.03271 -0.00616 42  GLN A CA  
699  C C   . GLN A 46  ? 0.16230 0.17413 0.21362 0.00706  -0.03325 -0.01061 42  GLN A C   
700  O O   . GLN A 46  ? 0.20298 0.22128 0.25804 0.00929  -0.03795 -0.01397 42  GLN A O   
701  C CB  . GLN A 46  ? 0.19237 0.19056 0.22457 0.00494  -0.03325 -0.00630 42  GLN A CB  
702  C CG  . GLN A 46  ? 0.22233 0.20913 0.24050 0.00615  -0.03429 -0.00281 42  GLN A CG  
703  C CD  . GLN A 46  ? 0.37449 0.35599 0.38613 0.01237  -0.03942 -0.00198 42  GLN A CD  
704  O OE1 . GLN A 46  ? 0.35840 0.34505 0.37278 0.01605  -0.04481 -0.00475 42  GLN A OE1 
705  N NE2 . GLN A 46  ? 0.54108 0.51203 0.54365 0.01364  -0.03772 0.00167  42  GLN A NE2 
714  N N   . ALA A 47  ? 0.15596 0.17163 0.21505 0.00407  -0.02859 -0.01107 43  ALA A N   
715  C CA  . ALA A 47  ? 0.16282 0.19005 0.23481 0.00320  -0.02883 -0.01553 43  ALA A CA  
716  C C   . ALA A 47  ? 0.16021 0.19146 0.23626 0.00880  -0.03386 -0.01754 43  ALA A C   
717  O O   . ALA A 47  ? 0.14320 0.16932 0.21619 0.01203  -0.03414 -0.01519 43  ALA A O   
718  C CB  . ALA A 47  ? 0.17454 0.20375 0.25295 -0.00062 -0.02278 -0.01531 43  ALA A CB  
724  N N   . ALA A 48  ? 0.15896 0.19929 0.24153 0.01006  -0.03790 -0.02206 44  ALA A N   
725  C CA  . ALA A 48  ? 0.13769 0.18272 0.22407 0.01584  -0.04337 -0.02463 44  ALA A CA  
726  C C   . ALA A 48  ? 0.15095 0.19982 0.24573 0.01641  -0.04121 -0.02533 44  ALA A C   
727  O O   . ALA A 48  ? 0.18813 0.24404 0.29253 0.01234  -0.03740 -0.02767 44  ALA A O   
728  C CB  . ALA A 48  ? 0.21859 0.27451 0.31227 0.01613  -0.04730 -0.03022 44  ALA A CB  
734  N N   . GLY A 49  ? 0.12212 0.16602 0.21291 0.02149  -0.04356 -0.02334 45  GLY A N   
735  C CA  . GLY A 49  ? 0.11109 0.15894 0.20976 0.02294  -0.04246 -0.02425 45  GLY A CA  
736  C C   . GLY A 49  ? 0.11936 0.16074 0.21630 0.02030  -0.03653 -0.02027 45  GLY A C   
737  O O   . GLY A 49  ? 0.12650 0.17111 0.23017 0.02132  -0.03534 -0.02093 45  GLY A O   
741  N N   . PHE A 50  ? 0.11690 0.14994 0.20562 0.01680  -0.03268 -0.01650 46  PHE A N   
742  C CA  . PHE A 50  ? 0.10551 0.13287 0.19259 0.01420  -0.02697 -0.01310 46  PHE A CA  
743  C C   . PHE A 50  ? 0.13365 0.14946 0.20937 0.01762  -0.02774 -0.00881 46  PHE A C   
744  O O   . PHE A 50  ? 0.14524 0.15431 0.21086 0.01951  -0.03059 -0.00719 46  PHE A O   
745  C CB  . PHE A 50  ? 0.10560 0.13100 0.19067 0.00825  -0.02184 -0.01188 46  PHE A CB  
746  C CG  . PHE A 50  ? 0.09019 0.11143 0.17509 0.00565  -0.01595 -0.00920 46  PHE A CG  
747  C CD1 . PHE A 50  ? 0.08882 0.11658 0.18395 0.00369  -0.01267 -0.01105 46  PHE A CD1 
748  C CD2 . PHE A 50  ? 0.11838 0.12923 0.19294 0.00550  -0.01381 -0.00505 46  PHE A CD2 
749  C CE1 . PHE A 50  ? 0.06237 0.08639 0.15733 0.00179  -0.00746 -0.00869 46  PHE A CE1 
750  C CE2 . PHE A 50  ? 0.11359 0.12131 0.18842 0.00335  -0.00854 -0.00302 46  PHE A CE2 
751  C CZ  . PHE A 50  ? 0.07063 0.08498 0.15564 0.00175  -0.00560 -0.00481 46  PHE A CZ  
761  N N   . ALA A 51  ? 0.11094 0.12417 0.18803 0.01829  -0.02505 -0.00707 47  ALA A N   
762  C CA  . ALA A 51  ? 0.12767 0.12960 0.19417 0.02114  -0.02505 -0.00313 47  ALA A CA  
763  C C   . ALA A 51  ? 0.09910 0.09350 0.15905 0.01667  -0.01932 0.00022  47  ALA A C   
764  O O   . ALA A 51  ? 0.11979 0.11535 0.18433 0.01386  -0.01448 0.00082  47  ALA A O   
765  C CB  . ALA A 51  ? 0.12420 0.12729 0.19543 0.02448  -0.02538 -0.00322 47  ALA A CB  
771  N N   . TYR A 52  ? 0.10512 0.09190 0.15422 0.01622  -0.02002 0.00220  48  TYR A N   
772  C CA  . TYR A 52  ? 0.11867 0.09836 0.16067 0.01212  -0.01508 0.00498  48  TYR A CA  
773  C C   . TYR A 52  ? 0.13548 0.10414 0.16791 0.01375  -0.01345 0.00842  48  TYR A C   
774  O O   . TYR A 52  ? 0.15431 0.11807 0.18162 0.01842  -0.01705 0.00923  48  TYR A O   
775  C CB  . TYR A 52  ? 0.15918 0.13569 0.19355 0.01084  -0.01674 0.00530  48  TYR A CB  
776  C CG  . TYR A 52  ? 0.14906 0.13448 0.19057 0.00781  -0.01694 0.00241  48  TYR A CG  
777  C CD1 . TYR A 52  ? 0.11043 0.09728 0.15379 0.00266  -0.01201 0.00251  48  TYR A CD1 
778  C CD2 . TYR A 52  ? 0.11274 0.10474 0.15845 0.01018  -0.02208 -0.00057 48  TYR A CD2 
779  C CE1 . TYR A 52  ? 0.10327 0.09701 0.15174 -0.00021 -0.01203 -0.00001 48  TYR A CE1 
780  C CE2 . TYR A 52  ? 0.10566 0.10513 0.15711 0.00717  -0.02208 -0.00329 48  TYR A CE2 
781  C CZ  . TYR A 52  ? 0.11817 0.11822 0.17082 0.00187  -0.01694 -0.00291 48  TYR A CZ  
782  O OH  . TYR A 52  ? 0.10563 0.11236 0.16322 -0.00114 -0.01684 -0.00562 48  TYR A OH  
792  N N   . THR A 53  ? 0.12729 0.09158 0.15649 0.00983  -0.00795 0.01032  49  THR A N   
793  C CA  . THR A 53  ? 0.12741 0.08029 0.14582 0.01050  -0.00596 0.01343  49  THR A CA  
794  C C   . THR A 53  ? 0.12706 0.07107 0.13267 0.01135  -0.00833 0.01499  49  THR A C   
795  O O   . THR A 53  ? 0.14459 0.09077 0.14915 0.00961  -0.00953 0.01413  49  THR A O   
796  C CB  . THR A 53  ? 0.12260 0.07325 0.14043 0.00597  0.00060  0.01463  49  THR A CB  
797  O OG1 . THR A 53  ? 0.12448 0.07594 0.14024 0.00187  0.00261  0.01430  49  THR A OG1 
798  C CG2 . THR A 53  ? 0.14565 0.10366 0.17478 0.00504  0.00348  0.01341  49  THR A CG2 
806  N N   . ASP A 54  ? 0.15629 0.09530 0.15523 0.00902  -0.00759 0.01530  50  ASP A N   
807  C CA  . ASP A 54  ? 0.15025 0.08679 0.14423 0.00784  -0.00640 0.01603  50  ASP A CA  
808  C C   . ASP A 54  ? 0.14023 0.07888 0.13533 0.00593  -0.00429 0.01444  50  ASP A C   
809  O O   . ASP A 54  ? 0.16304 0.10170 0.15512 0.00518  -0.00375 0.01434  50  ASP A O   
810  C CB  . ASP A 54  ? 0.15836 0.08999 0.14875 0.00747  -0.00564 0.01777  50  ASP A CB  
811  C CG  . ASP A 54  ? 0.31152 0.24061 0.29937 0.00945  -0.00789 0.01947  50  ASP A CG  
812  O OD1 . ASP A 54  ? 0.34947 0.28037 0.33713 0.01087  -0.00985 0.01945  50  ASP A OD1 
813  O OD2 . ASP A 54  ? 0.55259 0.47789 0.53870 0.00961  -0.00774 0.02076  50  ASP A OD2 
818  N N   . ALA A 55  ? 0.15010 0.09072 0.14957 0.00518  -0.00313 0.01310  51  ALA A N   
819  C CA  . ALA A 55  ? 0.13866 0.08146 0.13955 0.00348  -0.00116 0.01144  51  ALA A CA  
820  C C   . ALA A 55  ? 0.14570 0.09189 0.14753 0.00385  -0.00209 0.01015  51  ALA A C   
821  O O   . ALA A 55  ? 0.17203 0.11892 0.17216 0.00272  -0.00091 0.00937  51  ALA A O   
822  C CB  . ALA A 55  ? 0.14702 0.09139 0.15271 0.00289  -0.00009 0.01025  51  ALA A CB  
828  N N   . ASN A 56  ? 0.12635 0.07484 0.13109 0.00533  -0.00415 0.00977  52  ASN A N   
829  C CA  . ASN A 56  ? 0.14175 0.09311 0.14709 0.00574  -0.00528 0.00869  52  ASN A CA  
830  C C   . ASN A 56  ? 0.17219 0.12199 0.17249 0.00592  -0.00582 0.00963  52  ASN A C   
831  O O   . ASN A 56  ? 0.16506 0.11612 0.16421 0.00521  -0.00526 0.00866  52  ASN A O   
832  C CB  . ASN A 56  ? 0.14186 0.09559 0.15079 0.00722  -0.00748 0.00839  52  ASN A CB  
833  C CG  . ASN A 56  ? 0.20016 0.15626 0.20898 0.00781  -0.00907 0.00767  52  ASN A CG  
834  O OD1 . ASN A 56  ? 0.17738 0.13243 0.18277 0.00851  -0.01021 0.00863  52  ASN A OD1 
835  N ND2 . ASN A 56  ? 0.17202 0.13122 0.18456 0.00756  -0.00925 0.00600  52  ASN A ND2 
842  N N   . LYS A 57  ? 0.14804 0.09498 0.14517 0.00687  -0.00686 0.01150  53  LYS A N   
843  C CA  . LYS A 57  ? 0.16011 0.10558 0.15239 0.00720  -0.00762 0.01248  53  LYS A CA  
844  C C   . LYS A 57  ? 0.20567 0.14941 0.19422 0.00546  -0.00543 0.01255  53  LYS A C   
845  O O   . LYS A 57  ? 0.21309 0.15733 0.19887 0.00517  -0.00549 0.01229  53  LYS A O   
846  C CB  . LYS A 57  ? 0.17208 0.11469 0.16187 0.00868  -0.00925 0.01448  53  LYS A CB  
847  C CG  . LYS A 57  ? 0.20087 0.14561 0.19370 0.01053  -0.01169 0.01439  53  LYS A CG  
848  C CD  . LYS A 57  ? 0.30997 0.25200 0.30039 0.01213  -0.01334 0.01622  53  LYS A CD  
849  C CE  . LYS A 57  ? 0.38329 0.32317 0.37514 0.01220  -0.01266 0.01687  53  LYS A CE  
850  N NZ  . LYS A 57  ? 0.57233 0.51056 0.56345 0.01415  -0.01466 0.01821  53  LYS A NZ  
864  N N   . ALA A 58  ? 0.18821 0.13012 0.17672 0.00418  -0.00343 0.01278  54  ALA A N   
865  C CA  . ALA A 58  ? 0.18409 0.12431 0.16898 0.00234  -0.00122 0.01292  54  ALA A CA  
866  C C   . ALA A 58  ? 0.18838 0.13187 0.17513 0.00104  0.00031  0.01075  54  ALA A C   
867  O O   . ALA A 58  ? 0.20584 0.14867 0.18946 -0.00042 0.00199  0.01060  54  ALA A O   
868  C CB  . ALA A 58  ? 0.23444 0.17161 0.21876 0.00129  0.00040  0.01387  54  ALA A CB  
874  N N   . LYS A 59  ? 0.16143 0.10841 0.15313 0.00149  -0.00019 0.00903  55  LYS A N   
875  C CA  . LYS A 59  ? 0.15625 0.10616 0.14974 0.00032  0.00127  0.00689  55  LYS A CA  
876  C C   . LYS A 59  ? 0.16676 0.11727 0.15677 0.00012  0.00112  0.00652  55  LYS A C   
877  O O   . LYS A 59  ? 0.16650 0.11810 0.15572 -0.00126 0.00293  0.00528  55  LYS A O   
878  C CB  . LYS A 59  ? 0.15703 0.11037 0.15621 0.00102  0.00040  0.00520  55  LYS A CB  
879  C CG  . LYS A 59  ? 0.13915 0.09542 0.14061 -0.00006 0.00186  0.00288  55  LYS A CG  
880  C CD  . LYS A 59  ? 0.11625 0.07210 0.11839 -0.00174 0.00448  0.00235  55  LYS A CD  
881  C CE  . LYS A 59  ? 0.14821 0.10717 0.15238 -0.00274 0.00592  -0.00010 55  LYS A CE  
882  N NZ  . LYS A 59  ? 0.15584 0.11500 0.16157 -0.00426 0.00829  -0.00084 55  LYS A NZ  
896  N N   . GLY A 60  ? 0.13589 0.08591 0.12386 0.00148  -0.00100 0.00746  56  GLY A N   
897  C CA  . GLY A 60  ? 0.15989 0.11001 0.14395 0.00128  -0.00114 0.00737  56  GLY A CA  
898  C C   . GLY A 60  ? 0.14971 0.10338 0.13591 0.00099  -0.00094 0.00502  56  GLY A C   
899  O O   . GLY A 60  ? 0.15674 0.11081 0.14039 -0.00008 0.00039  0.00427  56  GLY A O   
903  N N   . ILE A 61  ? 0.14525 0.10147 0.13602 0.00193  -0.00229 0.00384  57  ILE A N   
904  C CA  . ILE A 61  ? 0.13808 0.09746 0.13098 0.00187  -0.00248 0.00162  57  ILE A CA  
905  C C   . ILE A 61  ? 0.12360 0.08433 0.11771 0.00339  -0.00519 0.00154  57  ILE A C   
906  O O   . ILE A 61  ? 0.14239 0.10212 0.13665 0.00449  -0.00683 0.00299  57  ILE A O   
907  C CB  . ILE A 61  ? 0.13314 0.09468 0.13071 0.00115  -0.00116 -0.00024 57  ILE A CB  
908  C CG1 . ILE A 61  ? 0.15162 0.11347 0.15340 0.00193  -0.00214 0.00011  57  ILE A CG1 
909  C CG2 . ILE A 61  ? 0.14672 0.10746 0.14301 -0.00054 0.00165  -0.00050 57  ILE A CG2 
910  C CD1 . ILE A 61  ? 0.18184 0.14609 0.18706 0.00307  -0.00430 -0.00089 57  ILE A CD1 
922  N N   . THR A 62  ? 0.12103 0.08401 0.11576 0.00341  -0.00566 -0.00019 58  THR A N   
923  C CA  . THR A 62  ? 0.14171 0.10632 0.13807 0.00460  -0.00811 -0.00066 58  THR A CA  
924  C C   . THR A 62  ? 0.10624 0.07329 0.10783 0.00464  -0.00839 -0.00243 58  THR A C   
925  O O   . THR A 62  ? 0.12276 0.09116 0.12580 0.00385  -0.00702 -0.00421 58  THR A O   
926  C CB  . THR A 62  ? 0.15406 0.11932 0.14740 0.00466  -0.00871 -0.00138 58  THR A CB  
927  O OG1 . THR A 62  ? 0.18109 0.14397 0.16937 0.00464  -0.00855 0.00038  58  THR A OG1 
928  C CG2 . THR A 62  ? 0.17939 0.14625 0.17433 0.00577  -0.01129 -0.00185 58  THR A CG2 
936  N N   . TRP A 63  ? 0.10976 0.07743 0.11418 0.00557  -0.01019 -0.00195 59  TRP A N   
937  C CA  . TRP A 63  ? 0.12249 0.09235 0.13167 0.00564  -0.01075 -0.00347 59  TRP A CA  
938  C C   . TRP A 63  ? 0.11235 0.08399 0.12177 0.00574  -0.01174 -0.00521 59  TRP A C   
939  O O   . TRP A 63  ? 0.12718 0.09877 0.13437 0.00631  -0.01327 -0.00485 59  TRP A O   
940  C CB  . TRP A 63  ? 0.12161 0.09176 0.13341 0.00653  -0.01248 -0.00247 59  TRP A CB  
941  C CG  . TRP A 63  ? 0.09918 0.06782 0.11153 0.00644  -0.01146 -0.00114 59  TRP A CG  
942  C CD1 . TRP A 63  ? 0.09904 0.06617 0.11010 0.00719  -0.01229 0.00072  59  TRP A CD1 
943  C CD2 . TRP A 63  ? 0.09413 0.06260 0.10848 0.00557  -0.00943 -0.00167 59  TRP A CD2 
944  N NE1 . TRP A 63  ? 0.11401 0.07991 0.12614 0.00687  -0.01098 0.00140  59  TRP A NE1 
945  C CE2 . TRP A 63  ? 0.10122 0.06793 0.11534 0.00581  -0.00917 -0.00003 59  TRP A CE2 
946  C CE3 . TRP A 63  ? 0.12291 0.09263 0.13927 0.00465  -0.00787 -0.00346 59  TRP A CE3 
947  C CZ2 . TRP A 63  ? 0.11628 0.08232 0.13201 0.00506  -0.00733 -0.00007 59  TRP A CZ2 
948  C CZ3 . TRP A 63  ? 0.12076 0.09000 0.13880 0.00393  -0.00607 -0.00349 59  TRP A CZ3 
949  C CH2 . TRP A 63  ? 0.13025 0.09763 0.14790 0.00408  -0.00580 -0.00180 59  TRP A CH2 
960  N N   . ASN A 64  ? 0.09148 0.06460 0.10352 0.00521  -0.01088 -0.00716 60  ASN A N   
961  C CA  . ASN A 64  ? 0.12545 0.10022 0.13829 0.00530  -0.01171 -0.00911 60  ASN A CA  
962  C C   . ASN A 64  ? 0.10435 0.08052 0.12118 0.00486  -0.01074 -0.01088 60  ASN A C   
963  O O   . ASN A 64  ? 0.11580 0.09169 0.13454 0.00452  -0.00959 -0.01043 60  ASN A O   
964  C CB  . ASN A 64  ? 0.15401 0.12850 0.16288 0.00497  -0.01096 -0.00969 60  ASN A CB  
965  C CG  . ASN A 64  ? 0.17828 0.15241 0.18438 0.00568  -0.01295 -0.00893 60  ASN A CG  
966  O OD1 . ASN A 64  ? 0.22798 0.20295 0.23582 0.00632  -0.01505 -0.00912 60  ASN A OD1 
967  N ND2 . ASN A 64  ? 0.21667 0.18957 0.21835 0.00548  -0.01227 -0.00809 60  ASN A ND2 
974  N N   . GLU A 65  ? 0.10742 0.08503 0.12547 0.00490  -0.01122 -0.01294 61  GLU A N   
975  C CA  . GLU A 65  ? 0.10970 0.08869 0.13177 0.00469  -0.01071 -0.01466 61  GLU A CA  
976  C C   . GLU A 65  ? 0.11022 0.08921 0.13286 0.00386  -0.00807 -0.01498 61  GLU A C   
977  O O   . GLU A 65  ? 0.10550 0.08487 0.13136 0.00370  -0.00760 -0.01505 61  GLU A O   
978  C CB  . GLU A 65  ? 0.14436 0.12463 0.16691 0.00489  -0.01143 -0.01695 61  GLU A CB  
979  C CG  . GLU A 65  ? 0.11907 0.09966 0.14255 0.00560  -0.01420 -0.01718 61  GLU A CG  
980  C CD  . GLU A 65  ? 0.17394 0.15377 0.19384 0.00594  -0.01548 -0.01615 61  GLU A CD  
981  O OE1 . GLU A 65  ? 0.21273 0.19164 0.22917 0.00572  -0.01437 -0.01511 61  GLU A OE1 
982  O OE2 . GLU A 65  ? 0.23018 0.21033 0.25069 0.00640  -0.01771 -0.01641 61  GLU A OE2 
989  N N   . ASP A 66  ? 0.10828 0.08695 0.12782 0.00323  -0.00631 -0.01527 62  ASP A N   
990  C CA  . ASP A 66  ? 0.10619 0.08516 0.12623 0.00226  -0.00373 -0.01589 62  ASP A CA  
991  C C   . ASP A 66  ? 0.10914 0.08655 0.12920 0.00188  -0.00284 -0.01387 62  ASP A C   
992  O O   . ASP A 66  ? 0.11723 0.09515 0.13993 0.00136  -0.00153 -0.01434 62  ASP A O   
993  C CB  . ASP A 66  ? 0.12268 0.10167 0.13900 0.00153  -0.00207 -0.01651 62  ASP A CB  
994  C CG  . ASP A 66  ? 0.16268 0.14353 0.17936 0.00181  -0.00249 -0.01898 62  ASP A CG  
995  O OD1 . ASP A 66  ? 0.22446 0.20675 0.24481 0.00228  -0.00330 -0.02063 62  ASP A OD1 
996  O OD2 . ASP A 66  ? 0.13615 0.11698 0.14935 0.00157  -0.00201 -0.01932 62  ASP A OD2 
1001 N N   . THR A 67  ? 0.11075 0.08621 0.12782 0.00213  -0.00349 -0.01168 63  THR A N   
1002 C CA  . THR A 67  ? 0.11529 0.08904 0.13218 0.00183  -0.00266 -0.00982 63  THR A CA  
1003 C C   . THR A 67  ? 0.08530 0.05955 0.10632 0.00243  -0.00387 -0.00952 63  THR A C   
1004 O O   . THR A 67  ? 0.10510 0.07893 0.12782 0.00199  -0.00272 -0.00909 63  THR A O   
1005 C CB  . THR A 67  ? 0.12574 0.09715 0.13824 0.00207  -0.00316 -0.00760 63  THR A CB  
1006 O OG1 . THR A 67  ? 0.12675 0.09839 0.13876 0.00319  -0.00566 -0.00717 63  THR A OG1 
1007 C CG2 . THR A 67  ? 0.10774 0.07840 0.11601 0.00115  -0.00145 -0.00769 63  THR A CG2 
1015 N N   . LEU A 68  ? 0.09187 0.06703 0.11446 0.00335  -0.00614 -0.00975 64  LEU A N   
1016 C CA  . LEU A 68  ? 0.08721 0.06314 0.11382 0.00379  -0.00722 -0.00967 64  LEU A CA  
1017 C C   . LEU A 68  ? 0.09647 0.07396 0.12675 0.00328  -0.00610 -0.01150 64  LEU A C   
1018 O O   . LEU A 68  ? 0.11558 0.09321 0.14862 0.00318  -0.00576 -0.01120 64  LEU A O   
1019 C CB  . LEU A 68  ? 0.10186 0.07860 0.12926 0.00468  -0.00987 -0.00967 64  LEU A CB  
1020 C CG  . LEU A 68  ? 0.09555 0.07113 0.12028 0.00536  -0.01140 -0.00779 64  LEU A CG  
1021 C CD1 . LEU A 68  ? 0.09090 0.06758 0.11605 0.00599  -0.01380 -0.00827 64  LEU A CD1 
1022 C CD2 . LEU A 68  ? 0.09879 0.07357 0.12465 0.00566  -0.01156 -0.00612 64  LEU A CD2 
1034 N N   . PHE A 69  ? 0.09077 0.06949 0.12108 0.00300  -0.00551 -0.01347 65  PHE A N   
1035 C CA  . PHE A 69  ? 0.08626 0.06662 0.12005 0.00265  -0.00457 -0.01540 65  PHE A CA  
1036 C C   . PHE A 69  ? 0.12709 0.10707 0.16140 0.00175  -0.00222 -0.01509 65  PHE A C   
1037 O O   . PHE A 69  ? 0.11515 0.09599 0.15297 0.00163  -0.00187 -0.01567 65  PHE A O   
1038 C CB  . PHE A 69  ? 0.12171 0.10333 0.15476 0.00256  -0.00420 -0.01754 65  PHE A CB  
1039 C CG  . PHE A 69  ? 0.13061 0.11414 0.16732 0.00246  -0.00364 -0.01982 65  PHE A CG  
1040 C CD1 . PHE A 69  ? 0.10414 0.08853 0.14413 0.00314  -0.00550 -0.02064 65  PHE A CD1 
1041 C CD2 . PHE A 69  ? 0.13093 0.11541 0.16772 0.00165  -0.00128 -0.02117 65  PHE A CD2 
1042 C CE1 . PHE A 69  ? 0.12373 0.10976 0.16696 0.00317  -0.00515 -0.02277 65  PHE A CE1 
1043 C CE2 . PHE A 69  ? 0.12078 0.10720 0.16100 0.00168  -0.00088 -0.02340 65  PHE A CE2 
1044 C CZ  . PHE A 69  ? 0.13051 0.11760 0.17391 0.00250  -0.00284 -0.02416 65  PHE A CZ  
1054 N N   . GLU A 70  ? 0.10497 0.08356 0.13574 0.00106  -0.00064 -0.01412 66  GLU A N   
1055 C CA  . GLU A 70  ? 0.10087 0.07882 0.13181 0.00006  0.00159  -0.01369 66  GLU A CA  
1056 C C   . GLU A 70  ? 0.12546 0.10187 0.15725 0.00032  0.00108  -0.01173 66  GLU A C   
1057 O O   . GLU A 70  ? 0.12246 0.09921 0.15698 -0.00008 0.00199  -0.01193 66  GLU A O   
1058 C CB  . GLU A 70  ? 0.12237 0.09913 0.14901 -0.00092 0.00346  -0.01321 66  GLU A CB  
1059 C CG  . GLU A 70  ? 0.18627 0.16239 0.21321 -0.00216 0.00584  -0.01289 66  GLU A CG  
1060 C CD  . GLU A 70  ? 0.18236 0.15761 0.20544 -0.00347 0.00802  -0.01271 66  GLU A CD  
1061 O OE1 . GLU A 70  ? 0.17869 0.15391 0.19865 -0.00343 0.00781  -0.01288 66  GLU A OE1 
1062 O OE2 . GLU A 70  ? 0.20970 0.18430 0.23283 -0.00464 0.00997  -0.01239 66  GLU A OE2 
1069 N N   . TYR A 71  ? 0.11120 0.08598 0.14064 0.00100  -0.00035 -0.00989 67  TYR A N   
1070 C CA  . TYR A 71  ? 0.08943 0.06279 0.11950 0.00141  -0.00098 -0.00806 67  TYR A CA  
1071 C C   . TYR A 71  ? 0.09612 0.07106 0.13093 0.00184  -0.00190 -0.00874 67  TYR A C   
1072 O O   . TYR A 71  ? 0.12345 0.09792 0.16003 0.00162  -0.00123 -0.00816 67  TYR A O   
1073 C CB  . TYR A 71  ? 0.10857 0.08065 0.13598 0.00238  -0.00289 -0.00640 67  TYR A CB  
1074 C CG  . TYR A 71  ? 0.10424 0.07505 0.13218 0.00306  -0.00390 -0.00458 67  TYR A CG  
1075 C CD1 . TYR A 71  ? 0.11661 0.08536 0.14332 0.00265  -0.00263 -0.00329 67  TYR A CD1 
1076 C CD2 . TYR A 71  ? 0.11324 0.08495 0.14273 0.00412  -0.00620 -0.00421 67  TYR A CD2 
1077 C CE1 . TYR A 71  ? 0.11736 0.08492 0.14443 0.00342  -0.00365 -0.00172 67  TYR A CE1 
1078 C CE2 . TYR A 71  ? 0.10855 0.07935 0.13845 0.00485  -0.00720 -0.00263 67  TYR A CE2 
1079 C CZ  . TYR A 71  ? 0.10357 0.07231 0.13233 0.00456  -0.00592 -0.00145 67  TYR A CZ  
1080 O OH  . TYR A 71  ? 0.12195 0.08963 0.15101 0.00535  -0.00682 0.00004  67  TYR A OH  
1090 N N   . LEU A 72  ? 0.12406 0.10075 0.16082 0.00246  -0.00359 -0.00986 68  LEU A N   
1091 C CA  . LEU A 72  ? 0.11343 0.09142 0.15429 0.00291  -0.00480 -0.01020 68  LEU A CA  
1092 C C   . LEU A 72  ? 0.13209 0.11140 0.17626 0.00228  -0.00338 -0.01176 68  LEU A C   
1093 O O   . LEU A 72  ? 0.13102 0.11113 0.17848 0.00248  -0.00399 -0.01183 68  LEU A O   
1094 C CB  . LEU A 72  ? 0.11788 0.09701 0.15946 0.00366  -0.00716 -0.01074 68  LEU A CB  
1095 C CG  . LEU A 72  ? 0.11557 0.09368 0.15443 0.00435  -0.00879 -0.00914 68  LEU A CG  
1096 C CD1 . LEU A 72  ? 0.14299 0.12230 0.18247 0.00486  -0.01093 -0.00992 68  LEU A CD1 
1097 C CD2 . LEU A 72  ? 0.14639 0.12377 0.18588 0.00479  -0.00945 -0.00737 68  LEU A CD2 
1109 N N   . GLU A 73  ? 0.14484 0.12452 0.18824 0.00150  -0.00150 -0.01301 69  GLU A N   
1110 C CA  . GLU A 73  ? 0.12549 0.10645 0.17194 0.00085  0.00001  -0.01442 69  GLU A CA  
1111 C C   . GLU A 73  ? 0.13092 0.11072 0.17796 0.00036  0.00120  -0.01316 69  GLU A C   
1112 O O   . GLU A 73  ? 0.15294 0.13376 0.20340 0.00020  0.00154  -0.01380 69  GLU A O   
1113 C CB  . GLU A 73  ? 0.12247 0.10429 0.16774 0.00009  0.00182  -0.01608 69  GLU A CB  
1114 C CG  . GLU A 73  ? 0.16923 0.15319 0.21810 -0.00029 0.00284  -0.01823 69  GLU A CG  
1115 C CD  . GLU A 73  ? 0.35057 0.33434 0.40057 -0.00128 0.00493  -0.01802 69  GLU A CD  
1116 O OE1 . GLU A 73  ? 0.30615 0.28805 0.35338 -0.00200 0.00622  -0.01653 69  GLU A OE1 
1117 O OE2 . GLU A 73  ? 0.42474 0.41020 0.47838 -0.00138 0.00528  -0.01942 69  GLU A OE2 
1124 N N   . ASN A 74  ? 0.12675 0.12401 0.15044 -0.02309 -0.01267 -0.00450 70  ASN A N   
1125 C CA  . ASN A 74  ? 0.10621 0.09963 0.12540 -0.02301 -0.01253 -0.00453 70  ASN A CA  
1126 C C   . ASN A 74  ? 0.11232 0.10656 0.12586 -0.02101 -0.00820 -0.00468 70  ASN A C   
1127 O O   . ASN A 74  ? 0.11857 0.11369 0.13501 -0.02027 -0.00515 -0.00529 70  ASN A O   
1128 C CB  . ASN A 74  ? 0.14064 0.13217 0.16640 -0.02419 -0.01341 -0.00509 70  ASN A CB  
1129 C CG  . ASN A 74  ? 0.20483 0.19210 0.22628 -0.02439 -0.01380 -0.00512 70  ASN A CG  
1130 O OD1 . ASN A 74  ? 0.16020 0.14629 0.17413 -0.02317 -0.01196 -0.00491 70  ASN A OD1 
1131 N ND2 . ASN A 74  ? 0.28784 0.27280 0.31409 -0.02592 -0.01610 -0.00541 70  ASN A ND2 
1138 N N   . PRO A 75  ? 0.09414 0.08820 0.09948 -0.02003 -0.00778 -0.00411 71  PRO A N   
1139 C CA  . PRO A 75  ? 0.11246 0.10787 0.11248 -0.01799 -0.00358 -0.00420 71  PRO A CA  
1140 C C   . PRO A 75  ? 0.11669 0.10958 0.11534 -0.01738 -0.00134 -0.00462 71  PRO A C   
1141 O O   . PRO A 75  ? 0.11294 0.10773 0.11204 -0.01598 0.00251  -0.00505 71  PRO A O   
1142 C CB  . PRO A 75  ? 0.14756 0.14256 0.13902 -0.01739 -0.00439 -0.00343 71  PRO A CB  
1143 C CG  . PRO A 75  ? 0.14713 0.14304 0.14164 -0.01882 -0.00807 -0.00303 71  PRO A CG  
1144 C CD  . PRO A 75  ? 0.14224 0.13622 0.14404 -0.02060 -0.01078 -0.00336 71  PRO A CD  
1152 N N   . LYS A 76  ? 0.13740 0.12606 0.13431 -0.01838 -0.00358 -0.00452 72  LYS A N   
1153 C CA  . LYS A 76  ? 0.14421 0.13012 0.13894 -0.01779 -0.00148 -0.00487 72  LYS A CA  
1154 C C   . LYS A 76  ? 0.16051 0.14709 0.16323 -0.01816 0.00000  -0.00566 72  LYS A C   
1155 O O   . LYS A 76  ? 0.16265 0.14842 0.16428 -0.01717 0.00307  -0.00605 72  LYS A O   
1156 C CB  . LYS A 76  ? 0.20787 0.18900 0.19879 -0.01890 -0.00447 -0.00458 72  LYS A CB  
1157 C CG  . LYS A 76  ? 0.43110 0.41068 0.41227 -0.01802 -0.00474 -0.00387 72  LYS A CG  
1158 C CD  . LYS A 76  ? 0.49667 0.47149 0.47481 -0.01931 -0.00807 -0.00362 72  LYS A CD  
1159 C CE  . LYS A 76  ? 0.53825 0.50996 0.51902 -0.01990 -0.00750 -0.00425 72  LYS A CE  
1160 N NZ  . LYS A 76  ? 0.66686 0.63378 0.64286 -0.02076 -0.00997 -0.00402 72  LYS A NZ  
1174 N N   . LYS A 77  ? 0.11883 0.10679 0.12956 -0.01957 -0.00214 -0.00589 73  LYS A N   
1175 C CA  . LYS A 77  ? 0.13149 0.12057 0.15019 -0.01987 -0.00066 -0.00662 73  LYS A CA  
1176 C C   . LYS A 77  ? 0.11387 0.10690 0.13353 -0.01814 0.00352  -0.00692 73  LYS A C   
1177 O O   . LYS A 77  ? 0.12529 0.11858 0.14765 -0.01750 0.00637  -0.00748 73  LYS A O   
1178 C CB  . LYS A 77  ? 0.19296 0.18289 0.21959 -0.02171 -0.00407 -0.00669 73  LYS A CB  
1179 C CG  . LYS A 77  ? 0.43008 0.42036 0.46550 -0.02257 -0.00381 -0.00737 73  LYS A CG  
1180 C CD  . LYS A 77  ? 0.37679 0.36765 0.41882 -0.02440 -0.00779 -0.00726 73  LYS A CD  
1181 C CE  . LYS A 77  ? 0.63595 0.62724 0.68719 -0.02540 -0.00788 -0.00790 73  LYS A CE  
1182 N NZ  . LYS A 77  ? 0.61875 0.61110 0.67649 -0.02697 -0.01142 -0.00777 73  LYS A NZ  
1196 N N   . TYR A 78  ? 0.10715 0.10326 0.12444 -0.01736 0.00394  -0.00656 74  TYR A N   
1197 C CA  . TYR A 78  ? 0.09443 0.09465 0.11266 -0.01575 0.00773  -0.00685 74  TYR A CA  
1198 C C   . TYR A 78  ? 0.11420 0.11417 0.12508 -0.01374 0.01148  -0.00681 74  TYR A C   
1199 O O   . TYR A 78  ? 0.12915 0.13103 0.14168 -0.01246 0.01514  -0.00728 74  TYR A O   
1200 C CB  . TYR A 78  ? 0.09628 0.09988 0.11455 -0.01572 0.00676  -0.00650 74  TYR A CB  
1201 C CG  . TYR A 78  ? 0.08919 0.09733 0.11126 -0.01465 0.00983  -0.00692 74  TYR A CG  
1202 C CD1 . TYR A 78  ? 0.13059 0.14026 0.16141 -0.01527 0.01019  -0.00752 74  TYR A CD1 
1203 C CD2 . TYR A 78  ? 0.10842 0.11946 0.12548 -0.01311 0.01213  -0.00671 74  TYR A CD2 
1204 C CE1 . TYR A 78  ? 0.13160 0.14551 0.16590 -0.01429 0.01293  -0.00791 74  TYR A CE1 
1205 C CE2 . TYR A 78  ? 0.10482 0.12009 0.12525 -0.01216 0.01483  -0.00712 74  TYR A CE2 
1206 C CZ  . TYR A 78  ? 0.12575 0.14242 0.15479 -0.01277 0.01517  -0.00771 74  TYR A CZ  
1207 O OH  . TYR A 78  ? 0.11437 0.13527 0.14684 -0.01186 0.01779  -0.00813 74  TYR A OH  
1217 N N   . ILE A 79  ? 0.09607 0.08699 0.16147 0.00424  -0.00476 -0.02624 75  ILE A N   
1218 C CA  . ILE A 79  ? 0.08132 0.07587 0.15221 0.00046  -0.00214 -0.02551 75  ILE A CA  
1219 C C   . ILE A 79  ? 0.07671 0.07686 0.15187 0.00040  -0.00151 -0.02960 75  ILE A C   
1220 O O   . ILE A 79  ? 0.09378 0.09318 0.16663 -0.00036 -0.00017 -0.02974 75  ILE A O   
1221 C CB  . ILE A 79  ? 0.08979 0.07908 0.15709 -0.00184 -0.00016 -0.02159 75  ILE A CB  
1222 C CG1 . ILE A 79  ? 0.09636 0.08037 0.15865 -0.00133 -0.00110 -0.01795 75  ILE A CG1 
1223 C CG2 . ILE A 79  ? 0.11449 0.10913 0.18508 -0.00392 0.00230  -0.02022 75  ILE A CG2 
1224 C CD1 . ILE A 79  ? 0.10761 0.08754 0.16578 -0.00341 0.00069  -0.01405 75  ILE A CD1 
1236 N N   . PRO A 80  ? 0.09554 0.10269 0.17538 0.00124  -0.00250 -0.03218 76  PRO A N   
1237 C CA  . PRO A 80  ? 0.07792 0.09105 0.16168 0.00119  -0.00207 -0.03602 76  PRO A CA  
1238 C C   . PRO A 80  ? 0.07769 0.09153 0.16330 -0.00063 0.00126  -0.03463 76  PRO A C   
1239 O O   . PRO A 80  ? 0.10305 0.11446 0.18620 -0.00102 0.00294  -0.03092 76  PRO A O   
1240 C CB  . PRO A 80  ? 0.09346 0.10936 0.17642 0.00114  -0.00336 -0.03650 76  PRO A CB  
1241 C CG  . PRO A 80  ? 0.09342 0.10846 0.17654 0.00246  -0.00576 -0.03587 76  PRO A CG  
1242 C CD  . PRO A 80  ? 0.09684 0.10624 0.17762 0.00223  -0.00445 -0.03197 76  PRO A CD  
1250 N N   . GLY A 81  ? 0.10089 0.11604 0.18674 -0.00161 0.00175  -0.03731 77  GLY A N   
1251 C CA  . GLY A 81  ? 0.09168 0.10659 0.17695 -0.00316 0.00463  -0.03598 77  GLY A CA  
1252 C C   . GLY A 81  ? 0.10735 0.11744 0.18967 -0.00569 0.00597  -0.03302 77  GLY A C   
1253 O O   . GLY A 81  ? 0.11865 0.12901 0.20041 -0.00698 0.00817  -0.03216 77  GLY A O   
1257 N N   . THR A 82  ? 0.09998 0.10361 0.17788 -0.00561 0.00480  -0.03119 78  THR A N   
1258 C CA  . THR A 82  ? 0.08674 0.08444 0.15949 -0.00732 0.00649  -0.02758 78  THR A CA  
1259 C C   . THR A 82  ? 0.08410 0.08361 0.15287 -0.00750 0.00789  -0.02834 78  THR A C   
1260 O O   . THR A 82  ? 0.13846 0.14197 0.20459 -0.00511 0.00680  -0.03073 78  THR A O   
1261 C CB  . THR A 82  ? 0.11804 0.10895 0.18293 -0.00544 0.00496  -0.02403 78  THR A CB  
1262 O OG1 . THR A 82  ? 0.12240 0.10737 0.18290 -0.00741 0.00674  -0.02043 78  THR A OG1 
1263 C CG2 . THR A 82  ? 0.13281 0.12436 0.19042 -0.00153 0.00269  -0.02476 78  THR A CG2 
1271 N N   . LYS A 83  ? 0.09414 0.09070 0.16252 -0.01039 0.01035  -0.02633 79  LYS A N   
1272 C CA  . LYS A 83  ? 0.08234 0.08025 0.14690 -0.01107 0.01211  -0.02673 79  LYS A CA  
1273 C C   . LYS A 83  ? 0.12705 0.12020 0.18034 -0.00910 0.01150  -0.02381 79  LYS A C   
1274 O O   . LYS A 83  ? 0.17301 0.16755 0.22172 -0.00911 0.01264  -0.02418 79  LYS A O   
1275 C CB  . LYS A 83  ? 0.16726 0.16397 0.23605 -0.01508 0.01511  -0.02581 79  LYS A CB  
1276 C CG  . LYS A 83  ? 0.20690 0.20450 0.27148 -0.01618 0.01732  -0.02588 79  LYS A CG  
1277 C CD  . LYS A 83  ? 0.21046 0.20724 0.27945 -0.01985 0.02012  -0.02510 79  LYS A CD  
1278 C CE  . LYS A 83  ? 0.31512 0.31304 0.37991 -0.02112 0.02250  -0.02551 79  LYS A CE  
1279 N NZ  . LYS A 83  ? 0.40791 0.40655 0.47529 -0.02319 0.02459  -0.02504 79  LYS A NZ  
1293 N N   . MET A 84  ? 0.10274 0.09034 0.15147 -0.00747 0.00971  -0.02095 80  MET A N   
1294 C CA  . MET A 84  ? 0.11977 0.10248 0.15778 -0.00544 0.00880  -0.01803 80  MET A CA  
1295 C C   . MET A 84  ? 0.16651 0.15342 0.20030 -0.00195 0.00676  -0.02052 80  MET A C   
1296 O O   . MET A 84  ? 0.14066 0.13043 0.17698 0.00045  0.00439  -0.02274 80  MET A O   
1297 C CB  . MET A 84  ? 0.11281 0.08903 0.14808 -0.00430 0.00701  -0.01488 80  MET A CB  
1298 C CG  . MET A 84  ? 0.11454 0.08538 0.13909 -0.00191 0.00557  -0.01185 80  MET A CG  
1299 S SD  . MET A 84  ? 0.10559 0.06745 0.12751 -0.00210 0.00469  -0.00734 80  MET A SD  
1300 C CE  . MET A 84  ? 0.12992 0.08876 0.14242 0.00266  0.00097  -0.00623 80  MET A CE  
1310 N N   A ILE A 85  ? 0.14256 0.12996 0.16995 -0.00173 0.00773  -0.02020 81  ILE A N   
1311 N N   B ILE A 85  ? 0.14391 0.13150 0.17142 -0.00167 0.00768  -0.02032 81  ILE A N   
1312 C CA  A ILE A 85  ? 0.15146 0.14229 0.17346 0.00159  0.00584  -0.02218 81  ILE A CA  
1313 C CA  B ILE A 85  ? 0.16244 0.15361 0.18496 0.00174  0.00566  -0.02244 81  ILE A CA  
1314 C C   A ILE A 85  ? 0.15174 0.13588 0.16328 0.00404  0.00391  -0.01840 81  ILE A C   
1315 C C   B ILE A 85  ? 0.14157 0.12617 0.15327 0.00412  0.00388  -0.01866 81  ILE A C   
1316 O O   A ILE A 85  ? 0.10987 0.08952 0.11445 0.00299  0.00530  -0.01512 81  ILE A O   
1317 O O   B ILE A 85  ? 0.20078 0.18150 0.20554 0.00310  0.00534  -0.01570 81  ILE A O   
1318 C CB  A ILE A 85  ? 0.12639 0.12188 0.14729 0.00042  0.00797  -0.02412 81  ILE A CB  
1319 C CB  B ILE A 85  ? 0.13969 0.13662 0.16240 0.00081  0.00752  -0.02513 81  ILE A CB  
1320 C CG1 A ILE A 85  ? 0.08793 0.08903 0.11952 -0.00256 0.01019  -0.02737 81  ILE A CG1 
1321 C CG1 B ILE A 85  ? 0.20532 0.20897 0.23948 -0.00110 0.00871  -0.02925 81  ILE A CG1 
1322 C CG2 A ILE A 85  ? 0.23504 0.23489 0.25130 0.00401  0.00578  -0.02674 81  ILE A CG2 
1323 C CG2 B ILE A 85  ? 0.17550 0.17534 0.19166 0.00458  0.00521  -0.02687 81  ILE A CG2 
1324 C CD1 A ILE A 85  ? 0.17299 0.17994 0.21301 -0.00126 0.00844  -0.03146 81  ILE A CD1 
1325 C CD1 B ILE A 85  ? 0.20053 0.20989 0.23626 -0.00257 0.01090  -0.03206 81  ILE A CD1 
1348 N N   . PHE A 86  ? 0.17917 0.16262 0.18970 0.00728  0.00069  -0.01886 82  PHE A N   
1349 C CA  . PHE A 86  ? 0.16124 0.13845 0.16250 0.00997  -0.00165 -0.01559 82  PHE A CA  
1350 C C   . PHE A 86  ? 0.15581 0.13542 0.15819 0.01377  -0.00524 -0.01807 82  PHE A C   
1351 O O   . PHE A 86  ? 0.18668 0.16734 0.19600 0.01362  -0.00593 -0.01933 82  PHE A O   
1352 C CB  . PHE A 86  ? 0.15960 0.12888 0.15970 0.00811  -0.00089 -0.01115 82  PHE A CB  
1353 C CG  . PHE A 86  ? 0.15698 0.11936 0.14795 0.01074  -0.00334 -0.00763 82  PHE A CG  
1354 C CD1 . PHE A 86  ? 0.20003 0.15888 0.18157 0.01103  -0.00293 -0.00484 82  PHE A CD1 
1355 C CD2 . PHE A 86  ? 0.15686 0.11637 0.14857 0.01289  -0.00606 -0.00715 82  PHE A CD2 
1356 C CE1 . PHE A 86  ? 0.21366 0.16596 0.18683 0.01351  -0.00539 -0.00151 82  PHE A CE1 
1357 C CE2 . PHE A 86  ? 0.17753 0.13077 0.16116 0.01543  -0.00852 -0.00412 82  PHE A CE2 
1358 C CZ  . PHE A 86  ? 0.20224 0.15168 0.17664 0.01574  -0.00824 -0.00120 82  PHE A CZ  
1368 N N   . ALA A 87  ? 0.24187 0.22254 0.23759 0.01712  -0.00751 -0.01886 83  ALA A N   
1369 C CA  . ALA A 87  ? 0.25992 0.24410 0.25753 0.02075  -0.01084 -0.02200 83  ALA A CA  
1370 C C   . ALA A 87  ? 0.21376 0.19266 0.21080 0.02234  -0.01316 -0.02002 83  ALA A C   
1371 O O   . ALA A 87  ? 0.25521 0.23731 0.25778 0.02392  -0.01495 -0.02278 83  ALA A O   
1372 C CB  . ALA A 87  ? 0.29956 0.28574 0.28970 0.02410  -0.01292 -0.02319 83  ALA A CB  
1378 N N   . GLY A 88  ? 0.18700 0.15800 0.17771 0.02186  -0.01309 -0.01539 84  GLY A N   
1379 C CA  . GLY A 88  ? 0.18141 0.14701 0.17129 0.02331  -0.01526 -0.01338 84  GLY A CA  
1380 C C   . GLY A 88  ? 0.17726 0.13626 0.15682 0.02598  -0.01767 -0.01002 84  GLY A C   
1381 O O   . GLY A 88  ? 0.22329 0.18287 0.19607 0.02779  -0.01860 -0.00998 84  GLY A O   
1385 N N   . LEU A 89  ? 0.17112 0.12369 0.14941 0.02622  -0.01875 -0.00713 85  LEU A N   
1386 C CA  . LEU A 89  ? 0.21269 0.15851 0.18219 0.02899  -0.02155 -0.00400 85  LEU A CA  
1387 C C   . LEU A 89  ? 0.21563 0.16270 0.18723 0.03269  -0.02529 -0.00643 85  LEU A C   
1388 O O   . LEU A 89  ? 0.18588 0.13175 0.16271 0.03226  -0.02563 -0.00660 85  LEU A O   
1389 C CB  . LEU A 89  ? 0.22995 0.16769 0.19734 0.02677  -0.02033 0.00067  85  LEU A CB  
1390 C CG  . LEU A 89  ? 0.28762 0.22262 0.25170 0.02325  -0.01685 0.00380  85  LEU A CG  
1391 C CD1 . LEU A 89  ? 0.30372 0.23099 0.26730 0.02123  -0.01597 0.00792  85  LEU A CD1 
1392 C CD2 . LEU A 89  ? 0.31516 0.24862 0.26936 0.02495  -0.01770 0.00544  85  LEU A CD2 
1404 N N   . LYS A 90  ? 0.23634 0.18591 0.20389 0.03633  -0.02811 -0.00840 86  LYS A N   
1405 C CA  . LYS A 90  ? 0.22503 0.17711 0.19564 0.03981  -0.03152 -0.01151 86  LYS A CA  
1406 C C   . LYS A 90  ? 0.22058 0.16535 0.18714 0.04201  -0.03441 -0.00880 86  LYS A C   
1407 O O   . LYS A 90  ? 0.26766 0.21339 0.23929 0.04325  -0.03602 -0.01067 86  LYS A O   
1408 C CB  . LYS A 90  ? 0.31268 0.27030 0.28104 0.04308  -0.03371 -0.01496 86  LYS A CB  
1409 C CG  . LYS A 90  ? 0.30986 0.27498 0.28233 0.04105  -0.03098 -0.01794 86  LYS A CG  
1410 C CD  . LYS A 90  ? 0.40906 0.37841 0.39207 0.03776  -0.02820 -0.01997 86  LYS A CD  
1411 C CE  . LYS A 90  ? 0.42149 0.39785 0.40870 0.03571  -0.02558 -0.02280 86  LYS A CE  
1412 N NZ  . LYS A 90  ? 0.34249 0.32387 0.34056 0.03350  -0.02392 -0.02564 86  LYS A NZ  
1426 N N   . LYS A 91  ? 0.19874 0.13627 0.15662 0.04233  -0.03500 -0.00443 87  LYS A N   
1427 C CA  . LYS A 91  ? 0.20952 0.13997 0.16302 0.04489  -0.03825 -0.00195 87  LYS A CA  
1428 C C   . LYS A 91  ? 0.24028 0.16679 0.19852 0.04259  -0.03699 -0.00019 87  LYS A C   
1429 O O   . LYS A 91  ? 0.21659 0.14069 0.17564 0.03878  -0.03362 0.00240  87  LYS A O   
1430 C CB  . LYS A 91  ? 0.27298 0.19669 0.21586 0.04563  -0.03909 0.00245  87  LYS A CB  
1431 C CG  . LYS A 91  ? 0.28107 0.20778 0.21816 0.04894  -0.04150 0.00079  87  LYS A CG  
1432 C CD  . LYS A 91  ? 0.34062 0.26048 0.26676 0.04945  -0.04221 0.00548  87  LYS A CD  
1433 C CE  . LYS A 91  ? 0.55286 0.47473 0.47266 0.05354  -0.04562 0.00397  87  LYS A CE  
1434 N NZ  . LYS A 91  ? 0.83113 0.74531 0.73979 0.05446  -0.04699 0.00894  87  LYS A NZ  
1448 N N   . PRO A 92  ? 0.15831 0.12579 0.18127 0.02169  -0.00887 -0.00513 88  PRO A N   
1449 C CA  . PRO A 92  ? 0.13171 0.09826 0.15590 0.02100  -0.00980 -0.00559 88  PRO A CA  
1450 C C   . PRO A 92  ? 0.14668 0.11021 0.16934 0.02044  -0.00874 -0.00670 88  PRO A C   
1451 O O   . PRO A 92  ? 0.15533 0.12027 0.17832 0.01848  -0.00896 -0.00667 88  PRO A O   
1452 C CB  . PRO A 92  ? 0.21244 0.17972 0.23553 0.02145  -0.00976 -0.00601 88  PRO A CB  
1453 C CG  . PRO A 92  ? 0.22200 0.18902 0.24346 0.02286  -0.00883 -0.00567 88  PRO A CG  
1454 C CD  . PRO A 92  ? 0.17309 0.14138 0.19494 0.02270  -0.00861 -0.00485 88  PRO A CD  
1462 N N   A ASN A 93  ? 0.14857 0.11013 0.16851 0.02105  -0.00693 -0.00683 89  ASN A N   
1463 N N   B ASN A 93  ? 0.12493 0.08644 0.14493 0.02098  -0.00696 -0.00686 89  ASN A N   
1464 C CA  A ASN A 93  ? 0.14848 0.10714 0.16745 0.02050  -0.00577 -0.00752 89  ASN A CA  
1465 C CA  B ASN A 93  ? 0.18859 0.14730 0.20789 0.02027  -0.00598 -0.00769 89  ASN A CA  
1466 C C   A ASN A 93  ? 0.10765 0.06663 0.12757 0.01963  -0.00628 -0.00719 89  ASN A C   
1467 C C   B ASN A 93  ? 0.17984 0.13873 0.19973 0.01961  -0.00624 -0.00719 89  ASN A C   
1468 O O   A ASN A 93  ? 0.12751 0.08480 0.14779 0.01856  -0.00614 -0.00797 89  ASN A O   
1469 O O   B ASN A 93  ? 0.17290 0.12985 0.19281 0.01867  -0.00585 -0.00785 89  ASN A O   
1470 C CB  A ASN A 93  ? 0.20583 0.16256 0.22312 0.02156  -0.00403 -0.00688 89  ASN A CB  
1471 C CB  B ASN A 93  ? 0.12976 0.08608 0.14741 0.02108  -0.00412 -0.00764 89  ASN A CB  
1472 C CG  A ASN A 93  ? 0.24339 0.20124 0.26039 0.02249  -0.00402 -0.00536 89  ASN A CG  
1473 C CG  B ASN A 93  ? 0.12167 0.07764 0.13952 0.02147  -0.00365 -0.00890 89  ASN A CG  
1474 O OD1 A ASN A 93  ? 0.26544 0.22196 0.28252 0.02252  -0.00362 -0.00483 89  ASN A OD1 
1475 O OD1 B ASN A 93  ? 0.21692 0.17189 0.23593 0.02059  -0.00334 -0.01125 89  ASN A OD1 
1476 N ND2 A ASN A 93  ? 0.20805 0.16848 0.22524 0.02331  -0.00457 -0.00487 89  ASN A ND2 
1477 N ND2 B ASN A 93  ? 0.07792 0.03526 0.09518 0.02266  -0.00364 -0.00791 89  ASN A ND2 
1490 N N   . GLU A 94  ? 0.14775 0.10904 0.16859 0.02000  -0.00681 -0.00649 90  GLU A N   
1491 C CA  . GLU A 94  ? 0.13228 0.09441 0.15494 0.01925  -0.00730 -0.00667 90  GLU A CA  
1492 C C   . GLU A 94  ? 0.12641 0.08957 0.15209 0.01796  -0.00866 -0.00655 90  GLU A C   
1493 O O   . GLU A 94  ? 0.12605 0.08835 0.15272 0.01695  -0.00882 -0.00678 90  GLU A O   
1494 C CB  . GLU A 94  ? 0.17735 0.14220 0.20149 0.02000  -0.00754 -0.00690 90  GLU A CB  
1495 C CG  . GLU A 94  ? 0.23348 0.19763 0.25562 0.02146  -0.00666 -0.00674 90  GLU A CG  
1496 C CD  . GLU A 94  ? 0.30262 0.26978 0.32700 0.02231  -0.00711 -0.00786 90  GLU A CD  
1497 O OE1 . GLU A 94  ? 0.32486 0.29480 0.35229 0.02179  -0.00776 -0.00898 90  GLU A OE1 
1498 O OE2 . GLU A 94  ? 0.42342 0.39058 0.44725 0.02357  -0.00690 -0.00768 90  GLU A OE2 
1505 N N   . ARG A 95  ? 0.12845 0.09357 0.15624 0.01800  -0.00984 -0.00584 91  ARG A N   
1506 C CA  . ARG A 95  ? 0.10963 0.07723 0.14035 0.01631  -0.01113 -0.00464 91  ARG A CA  
1507 C C   . ARG A 95  ? 0.11667 0.08421 0.14410 0.01451  -0.01030 -0.00511 91  ARG A C   
1508 O O   . ARG A 95  ? 0.12546 0.09478 0.15399 0.01267  -0.01069 -0.00445 91  ARG A O   
1509 C CB  . ARG A 95  ? 0.11365 0.08457 0.14728 0.01634  -0.01251 -0.00304 91  ARG A CB  
1510 C CG  . ARG A 95  ? 0.12410 0.09657 0.16239 0.01710  -0.01326 -0.00256 91  ARG A CG  
1511 C CD  . ARG A 95  ? 0.14929 0.12482 0.19081 0.01716  -0.01457 -0.00074 91  ARG A CD  
1512 N NE  . ARG A 95  ? 0.20833 0.18306 0.24582 0.01842  -0.01370 -0.00170 91  ARG A NE  
1513 C CZ  . ARG A 95  ? 0.19937 0.17551 0.23742 0.01883  -0.01465 -0.00058 91  ARG A CZ  
1514 N NH1 . ARG A 95  ? 0.19067 0.17066 0.23171 0.01729  -0.01613 0.00191  91  ARG A NH1 
1515 N NH2 . ARG A 95  ? 0.17410 0.14939 0.20843 0.02000  -0.01363 -0.00159 91  ARG A NH2 
1529 N N   . GLY A 96  ? 0.13167 0.09756 0.15573 0.01493  -0.00909 -0.00646 92  GLY A N   
1530 C CA  . GLY A 96  ? 0.12633 0.09246 0.14816 0.01309  -0.00801 -0.00788 92  GLY A CA  
1531 C C   . GLY A 96  ? 0.09945 0.06288 0.12058 0.01240  -0.00711 -0.00861 92  GLY A C   
1532 O O   . GLY A 96  ? 0.12619 0.09149 0.14705 0.01019  -0.00698 -0.00903 92  GLY A O   
1536 N N   . ASP A 97  ? 0.12309 0.08281 0.14393 0.01412  -0.00649 -0.00863 93  ASP A N   
1537 C CA  . ASP A 97  ? 0.13828 0.09568 0.15855 0.01350  -0.00565 -0.00900 93  ASP A CA  
1538 C C   . ASP A 97  ? 0.11174 0.07153 0.13386 0.01219  -0.00677 -0.00808 93  ASP A C   
1539 O O   . ASP A 97  ? 0.11961 0.07971 0.14135 0.01038  -0.00646 -0.00843 93  ASP A O   
1540 C CB  . ASP A 97  ? 0.14666 0.10132 0.16660 0.01549  -0.00503 -0.00848 93  ASP A CB  
1541 C CG  . ASP A 97  ? 0.18148 0.13343 0.20059 0.01671  -0.00377 -0.00882 93  ASP A CG  
1542 O OD1 . ASP A 97  ? 0.17973 0.13132 0.19866 0.01596  -0.00305 -0.01030 93  ASP A OD1 
1543 O OD2 . ASP A 97  ? 0.21636 0.16783 0.23488 0.01808  -0.00327 -0.00746 93  ASP A OD2 
1548 N N   . LEU A 98  ? 0.10764 0.06940 0.13255 0.01304  -0.00806 -0.00702 94  LEU A N   
1549 C CA  . LEU A 98  ? 0.10946 0.07364 0.13785 0.01198  -0.00916 -0.00609 94  LEU A CA  
1550 C C   . LEU A 98  ? 0.11203 0.07958 0.14118 0.00964  -0.00989 -0.00495 94  LEU A C   
1551 O O   . LEU A 98  ? 0.11356 0.08226 0.14374 0.00808  -0.01008 -0.00446 94  LEU A O   
1552 C CB  . LEU A 98  ? 0.09942 0.06535 0.13224 0.01331  -0.01031 -0.00554 94  LEU A CB  
1553 C CG  . LEU A 98  ? 0.12828 0.09683 0.16692 0.01245  -0.01147 -0.00459 94  LEU A CG  
1554 C CD1 . LEU A 98  ? 0.13577 0.10321 0.17402 0.01193  -0.01073 -0.00565 94  LEU A CD1 
1555 C CD2 . LEU A 98  ? 0.11279 0.08294 0.15657 0.01374  -0.01225 -0.00471 94  LEU A CD2 
1567 N N   . ILE A 99  ? 0.10630 0.07636 0.13502 0.00919  -0.01034 -0.00437 95  ILE A N   
1568 C CA  . ILE A 99  ? 0.12812 0.10336 0.15758 0.00659  -0.01115 -0.00296 95  ILE A CA  
1569 C C   . ILE A 99  ? 0.13762 0.11262 0.16362 0.00462  -0.00982 -0.00483 95  ILE A C   
1570 O O   . ILE A 99  ? 0.11915 0.09789 0.14614 0.00233  -0.01037 -0.00374 95  ILE A O   
1571 C CB  . ILE A 99  ? 0.09919 0.07811 0.12870 0.00641  -0.01183 -0.00209 95  ILE A CB  
1572 C CG1 . ILE A 99  ? 0.12556 0.10601 0.16037 0.00767  -0.01357 0.00055  95  ILE A CG1 
1573 C CG2 . ILE A 99  ? 0.12133 0.10682 0.14991 0.00323  -0.01214 -0.00143 95  ILE A CG2 
1574 C CD1 . ILE A 99  ? 0.13597 0.11872 0.17078 0.00826  -0.01414 0.00129  95  ILE A CD1 
1586 N N   . ALA A 100 ? 0.12138 0.09229 0.14401 0.00538  -0.00804 -0.00757 96  ALA A N   
1587 C CA  . ALA A 100 ? 0.11739 0.08754 0.13789 0.00356  -0.00658 -0.00978 96  ALA A CA  
1588 C C   . ALA A 100 ? 0.11808 0.08655 0.13932 0.00312  -0.00666 -0.00909 96  ALA A C   
1589 O O   . ALA A 100 ? 0.14075 0.11137 0.16151 0.00076  -0.00638 -0.00961 96  ALA A O   
1590 C CB  . ALA A 100 ? 0.12916 0.09443 0.14787 0.00487  -0.00466 -0.01245 96  ALA A CB  
1596 N N   . TYR A 101 ? 0.11846 0.08354 0.14076 0.00522  -0.00688 -0.00825 97  TYR A N   
1597 C CA  . TYR A 101 ? 0.12712 0.09141 0.15042 0.00473  -0.00697 -0.00773 97  TYR A CA  
1598 C C   . TYR A 101 ? 0.14221 0.11138 0.16863 0.00299  -0.00851 -0.00572 97  TYR A C   
1599 O O   . TYR A 101 ? 0.13222 0.10255 0.15862 0.00117  -0.00841 -0.00562 97  TYR A O   
1600 C CB  . TYR A 101 ? 0.12624 0.08785 0.15052 0.00698  -0.00695 -0.00751 97  TYR A CB  
1601 C CG  . TYR A 101 ? 0.10359 0.06588 0.12976 0.00629  -0.00727 -0.00707 97  TYR A CG  
1602 C CD1 . TYR A 101 ? 0.14378 0.10427 0.16801 0.00520  -0.00625 -0.00775 97  TYR A CD1 
1603 C CD2 . TYR A 101 ? 0.11872 0.08360 0.14941 0.00665  -0.00855 -0.00609 97  TYR A CD2 
1604 C CE1 . TYR A 101 ? 0.14307 0.10458 0.16903 0.00447  -0.00655 -0.00740 97  TYR A CE1 
1605 C CE2 . TYR A 101 ? 0.11947 0.08528 0.15262 0.00598  -0.00875 -0.00602 97  TYR A CE2 
1606 C CZ  . TYR A 101 ? 0.14186 0.10605 0.17217 0.00488  -0.00775 -0.00666 97  TYR A CZ  
1607 O OH  . TYR A 101 ? 0.17505 0.14052 0.20790 0.00417  -0.00795 -0.00661 97  TYR A OH  
1617 N N   . LEU A 102 ? 0.10604 0.07831 0.13588 0.00350  -0.01002 -0.00376 98  LEU A N   
1618 C CA  . LEU A 102 ? 0.12304 0.10033 0.15747 0.00189  -0.01165 -0.00095 98  LEU A CA  
1619 C C   . LEU A 102 ? 0.11201 0.09418 0.14462 -0.00119 -0.01172 -0.00036 98  LEU A C   
1620 O O   . LEU A 102 ? 0.12336 0.10885 0.15819 -0.00303 -0.01243 0.00138  98  LEU A O   
1621 C CB  . LEU A 102 ? 0.11655 0.09653 0.15595 0.00288  -0.01325 0.00140  98  LEU A CB  
1622 C CG  . LEU A 102 ? 0.10826 0.08536 0.15159 0.00539  -0.01346 0.00083  98  LEU A CG  
1623 C CD1 . LEU A 102 ? 0.13015 0.10951 0.17813 0.00630  -0.01479 0.00266  98  LEU A CD1 
1624 C CD2 . LEU A 102 ? 0.14682 0.12459 0.19536 0.00504  -0.01395 0.00147  98  LEU A CD2 
1636 N N   . LYS A 103 ? 0.10437 0.08775 0.13326 -0.00195 -0.01092 -0.00200 99  LYS A N   
1637 C CA  . LYS A 103 ? 0.13352 0.12295 0.16065 -0.00524 -0.01078 -0.00227 99  LYS A CA  
1638 C C   . LYS A 103 ? 0.15407 0.14170 0.17921 -0.00667 -0.00957 -0.00420 99  LYS A C   
1639 O O   . LYS A 103 ? 0.18641 0.17972 0.21202 -0.00951 -0.01006 -0.00312 99  LYS A O   
1640 C CB  . LYS A 103 ? 0.13831 0.12892 0.16212 -0.00561 -0.00967 -0.00498 99  LYS A CB  
1641 C CG  . LYS A 103 ? 0.15368 0.15213 0.17567 -0.00935 -0.00926 -0.00630 99  LYS A CG  
1642 C CD  . LYS A 103 ? 0.20247 0.21053 0.22728 -0.01155 -0.01143 -0.00189 99  LYS A CD  
1643 C CE  . LYS A 103 ? 0.25887 0.27646 0.28155 -0.01571 -0.01097 -0.00336 99  LYS A CE  
1644 N NZ  . LYS A 103 ? 0.61027 0.62925 0.62980 -0.01619 -0.00929 -0.00797 99  LYS A NZ  
1658 N N   . SER A 104 ? 0.12798 0.10829 0.15119 -0.00486 -0.00805 -0.00670 100 SER A N   
1659 C CA  . SER A 104 ? 0.13801 0.11629 0.15962 -0.00619 -0.00683 -0.00849 100 SER A CA  
1660 C C   . SER A 104 ? 0.19969 0.17829 0.22391 -0.00631 -0.00788 -0.00609 100 SER A C   
1661 O O   . SER A 104 ? 0.27667 0.25768 0.30063 -0.00857 -0.00776 -0.00610 100 SER A O   
1662 C CB  . SER A 104 ? 0.19790 0.16888 0.21751 -0.00434 -0.00498 -0.01119 100 SER A CB  
1663 O OG  . SER A 104 ? 0.36259 0.32935 0.38326 -0.00149 -0.00536 -0.00986 100 SER A OG  
1669 N N   . ALA A 105 ? 0.13896 0.11567 0.16616 -0.00402 -0.00885 -0.00434 101 ALA A N   
1670 C CA  . ALA A 105 ? 0.14486 0.12110 0.17508 -0.00378 -0.00943 -0.00306 101 ALA A CA  
1671 C C   . ALA A 105 ? 0.16506 0.14724 0.20047 -0.00518 -0.01130 0.00037  101 ALA A C   
1672 O O   . ALA A 105 ? 0.17550 0.15805 0.21393 -0.00550 -0.01169 0.00133  101 ALA A O   
1673 C CB  . ALA A 105 ? 0.13697 0.10923 0.16886 -0.00084 -0.00937 -0.00354 101 ALA A CB  
1679 N N   . THR A 106 ? 0.12917 0.11646 0.16627 -0.00612 -0.01249 0.00256  102 THR A N   
1680 C CA  . THR A 106 ? 0.11351 0.10725 0.15679 -0.00755 -0.01448 0.00691  102 THR A CA  
1681 C C   . THR A 106 ? 0.14301 0.14408 0.18472 -0.01120 -0.01487 0.00845  102 THR A C   
1682 O O   . THR A 106 ? 0.14270 0.15080 0.18955 -0.01281 -0.01671 0.01294  102 THR A O   
1683 C CB  . THR A 106 ? 0.10419 0.10008 0.15237 -0.00629 -0.01596 0.00954  102 THR A CB  
1684 O OG1 . THR A 106 ? 0.13116 0.12932 0.17516 -0.00696 -0.01571 0.00889  102 THR A OG1 
1685 C CG2 . THR A 106 ? 0.11120 0.10100 0.16162 -0.00301 -0.01557 0.00774  102 THR A CG2 
1693 N N   . LYS A 107 ? 0.14266 0.14276 0.17820 -0.01268 -0.01318 0.00494  103 LYS A N   
1694 C CA  A LYS A 107 ? 0.15028 0.15808 0.18392 -0.01649 -0.01323 0.00532  103 LYS A CA  
1695 C CA  B LYS A 107 ? 0.15557 0.16331 0.18915 -0.01648 -0.01321 0.00527  103 LYS A CA  
1696 C C   . LYS A 107 ? 0.19459 0.20522 0.23093 -0.01817 -0.01394 0.00763  103 LYS A C   
1697 O O   . LYS A 107 ? 0.21683 0.22143 0.25378 -0.01662 -0.01335 0.00657  103 LYS A O   
1698 C CB  A LYS A 107 ? 0.25485 0.26030 0.28219 -0.01751 -0.01090 -0.00007 103 LYS A CB  
1699 C CB  B LYS A 107 ? 0.24436 0.24932 0.27161 -0.01733 -0.01084 -0.00022 103 LYS A CB  
1700 C CG  A LYS A 107 ? 0.18700 0.19069 0.21182 -0.01633 -0.01000 -0.00269 103 LYS A CG  
1701 C CG  B LYS A 107 ? 0.32031 0.33070 0.34506 -0.01897 -0.01041 -0.00193 103 LYS A CG  
1702 C CD  A LYS A 107 ? 0.27740 0.27833 0.29791 -0.01733 -0.00752 -0.00824 103 LYS A CD  
1703 C CD  B LYS A 107 ? 0.34076 0.34426 0.36189 -0.01727 -0.00819 -0.00711 103 LYS A CD  
1704 C CE  A LYS A 107 ? 0.27735 0.27699 0.29610 -0.01634 -0.00644 -0.01119 103 LYS A CE  
1705 C CE  B LYS A 107 ? 0.30302 0.29951 0.32217 -0.01691 -0.00623 -0.01071 103 LYS A CE  
1706 N NZ  A LYS A 107 ? 0.36647 0.36276 0.38291 -0.01714 -0.00387 -0.01676 103 LYS A NZ  
1707 N NZ  B LYS A 107 ? 0.28521 0.27736 0.30214 -0.01631 -0.00397 -0.01567 103 LYS A NZ  
1708 O OXT A LYS A 107 ? 0.21930 0.23901 0.25724 -0.02129 -0.01510 0.01068  103 LYS A OXT 
1709 O OXT B LYS A 107 ? 0.22315 0.24285 0.26114 -0.02127 -0.01511 0.01071  103 LYS A OXT 
1734 N N   . GLY B 1   ? 0.33774 0.44387 0.31636 0.09266  0.05239  -0.11789 -3  GLY B N   
1735 C CA  . GLY B 1   ? 0.37663 0.49304 0.34761 0.08537  0.05752  -0.11319 -3  GLY B CA  
1736 C C   . GLY B 1   ? 0.29656 0.41024 0.27223 0.08148  0.05496  -0.10584 -3  GLY B C   
1737 O O   . GLY B 1   ? 0.36317 0.46942 0.35025 0.08550  0.04974  -0.10432 -3  GLY B O   
1740 N N   . VAL B 2   ? 0.34448 0.46263 0.31176 0.07300  0.05811  -0.10019 -2  VAL B N   
1741 C CA  . VAL B 2   ? 0.26247 0.37676 0.23232 0.06785  0.05536  -0.09215 -2  VAL B CA  
1742 C C   . VAL B 2   ? 0.27540 0.40597 0.24786 0.06227  0.05998  -0.08815 -2  VAL B C   
1743 O O   . VAL B 2   ? 0.30172 0.43931 0.26417 0.05750  0.06536  -0.08923 -2  VAL B O   
1744 C CB  . VAL B 2   ? 0.25080 0.34917 0.20497 0.06222  0.05327  -0.08923 -2  VAL B CB  
1745 C CG1 . VAL B 2   ? 0.23910 0.33297 0.19611 0.05764  0.05004  -0.08124 -2  VAL B CG1 
1746 C CG2 . VAL B 2   ? 0.39420 0.47759 0.34525 0.06783  0.04892  -0.09408 -2  VAL B CG2 
1756 N N   . PRO B 3   ? 0.24716 0.38475 0.23307 0.06281  0.05823  -0.08358 -1  PRO B N   
1757 C CA  . PRO B 3   ? 0.23304 0.38600 0.22097 0.05690  0.06219  -0.07983 -1  PRO B CA  
1758 C C   . PRO B 3   ? 0.26327 0.41079 0.23638 0.04704  0.06362  -0.07570 -1  PRO B C   
1759 O O   . PRO B 3   ? 0.35121 0.48338 0.31669 0.04486  0.05992  -0.07296 -1  PRO B O   
1760 C CB  . PRO B 3   ? 0.22022 0.37834 0.22454 0.06012  0.05861  -0.07528 -1  PRO B CB  
1761 C CG  . PRO B 3   ? 0.39604 0.53892 0.40471 0.06590  0.05273  -0.07510 -1  PRO B CG  
1762 C CD  . PRO B 3   ? 0.26687 0.39965 0.26740 0.06913  0.05276  -0.08164 -1  PRO B CD  
1770 N N   . ALA B 4   ? 0.27094 0.43101 0.23995 0.04114  0.06925  -0.07546 0   ALA B N   
1771 C CA  . ALA B 4   ? 0.25194 0.40945 0.21040 0.03138  0.07079  -0.07082 0   ALA B CA  
1772 C C   . ALA B 4   ? 0.30257 0.45796 0.26821 0.02974  0.06610  -0.06495 0   ALA B C   
1773 O O   . ALA B 4   ? 0.25907 0.42246 0.23948 0.03482  0.06379  -0.06403 0   ALA B O   
1774 C CB  . ALA B 4   ? 0.30336 0.47768 0.26115 0.02580  0.07742  -0.07119 0   ALA B CB  
1780 N N   . GLY B 5   ? 0.24380 0.38830 0.19881 0.02303  0.06469  -0.06084 1   GLY B N   
1781 C CA  . GLY B 5   ? 0.20996 0.35055 0.16991 0.02183  0.05989  -0.05533 1   GLY B CA  
1782 C C   . GLY B 5   ? 0.21518 0.36025 0.16993 0.01236  0.06183  -0.05141 1   GLY B C   
1783 O O   . GLY B 5   ? 0.33630 0.48344 0.28130 0.00581  0.06667  -0.05237 1   GLY B O   
1787 N N   . ASP B 6   ? 0.19671 0.34379 0.15885 0.01200  0.05801  -0.04695 2   ASP B N   
1788 C CA  . ASP B 6   ? 0.22923 0.37996 0.18785 0.00364  0.05868  -0.04331 2   ASP B CA  
1789 C C   . ASP B 6   ? 0.28540 0.41793 0.23441 0.00127  0.05433  -0.03928 2   ASP B C   
1790 O O   . ASP B 6   ? 0.26715 0.39297 0.22175 0.00675  0.04904  -0.03673 2   ASP B O   
1791 C CB  . ASP B 6   ? 0.25242 0.41995 0.22605 0.00519  0.05743  -0.04137 2   ASP B CB  
1792 C CG  . ASP B 6   ? 0.49569 0.66796 0.46640 -0.00335 0.05783  -0.03834 2   ASP B CG  
1793 O OD1 . ASP B 6   ? 0.43705 0.61893 0.40516 -0.00991 0.06276  -0.04013 2   ASP B OD1 
1794 O OD2 . ASP B 6   ? 0.34887 0.51496 0.31980 -0.00356 0.05323  -0.03424 2   ASP B OD2 
1799 N N   . VAL B 7   ? 0.26600 0.39071 0.20088 -0.00674 0.05676  -0.03849 3   VAL B N   
1800 C CA  . VAL B 7   ? 0.22968 0.33634 0.15367 -0.00926 0.05317  -0.03489 3   VAL B CA  
1801 C C   . VAL B 7   ? 0.24772 0.35548 0.17835 -0.00933 0.04835  -0.03017 3   VAL B C   
1802 O O   . VAL B 7   ? 0.24648 0.34144 0.17519 -0.00630 0.04344  -0.02713 3   VAL B O   
1803 C CB  . VAL B 7   ? 0.26139 0.36093 0.16960 -0.01806 0.05736  -0.03472 3   VAL B CB  
1804 C CG1 . VAL B 7   ? 0.30882 0.40482 0.20903 -0.01647 0.06146  -0.03890 3   VAL B CG1 
1805 C CG2 . VAL B 7   ? 0.54883 0.66211 0.45959 -0.02575 0.06123  -0.03425 3   VAL B CG2 
1815 N N   . GLU B 8   ? 0.24715 0.37064 0.18583 -0.01253 0.04957  -0.02947 4   GLU B N   
1816 C CA  . GLU B 8   ? 0.23648 0.36133 0.18011 -0.01278 0.04503  -0.02506 4   GLU B CA  
1817 C C   . GLU B 8   ? 0.22513 0.35253 0.18180 -0.00314 0.04041  -0.02326 4   GLU B C   
1818 O O   . GLU B 8   ? 0.21788 0.33666 0.17464 -0.00079 0.03554  -0.01905 4   GLU B O   
1819 C CB  . GLU B 8   ? 0.31545 0.45617 0.26336 -0.01920 0.04735  -0.02516 4   GLU B CB  
1820 C CG  . GLU B 8   ? 0.43218 0.56662 0.36674 -0.02952 0.05072  -0.02532 4   GLU B CG  
1821 C CD  . GLU B 8   ? 0.58226 0.69736 0.50470 -0.03196 0.04724  -0.02166 4   GLU B CD  
1822 O OE1 . GLU B 8   ? 0.50874 0.62215 0.43480 -0.02977 0.04222  -0.01818 4   GLU B OE1 
1823 O OE2 . GLU B 8   ? 0.50076 0.60259 0.40989 -0.03574 0.04962  -0.02210 4   GLU B OE2 
1830 N N   . LYS B 9   ? 0.22059 0.35936 0.18847 0.00279  0.04196  -0.02615 5   LYS B N   
1831 C CA  . LYS B 9   ? 0.16367 0.30263 0.14376 0.01242  0.03790  -0.02440 5   LYS B CA  
1832 C C   . LYS B 9   ? 0.19208 0.31111 0.16600 0.01621  0.03460  -0.02362 5   LYS B C   
1833 O O   . LYS B 9   ? 0.17206 0.28559 0.15231 0.02174  0.02992  -0.01985 5   LYS B O   
1834 C CB  . LYS B 9   ? 0.17709 0.33027 0.16918 0.01801  0.04066  -0.02822 5   LYS B CB  
1835 C CG  . LYS B 9   ? 0.26120 0.43592 0.26255 0.01595  0.04310  -0.02847 5   LYS B CG  
1836 C CD  . LYS B 9   ? 0.32534 0.51425 0.33827 0.02168  0.04606  -0.03220 5   LYS B CD  
1837 C CE  . LYS B 9   ? 0.62400 0.83473 0.64592 0.01940  0.04834  -0.03230 5   LYS B CE  
1838 N NZ  . LYS B 9   ? 0.84700 1.07208 0.87824 0.02371  0.05218  -0.03639 5   LYS B NZ  
1852 N N   . GLY B 10  ? 0.18964 0.29841 0.15189 0.01376  0.03707  -0.02718 6   GLY B N   
1853 C CA  . GLY B 10  ? 0.17643 0.26716 0.13302 0.01746  0.03389  -0.02708 6   GLY B CA  
1854 C C   . GLY B 10  ? 0.17498 0.25154 0.12208 0.01391  0.03026  -0.02220 6   GLY B C   
1855 O O   . GLY B 10  ? 0.18442 0.24827 0.13172 0.01837  0.02599  -0.02016 6   GLY B O   
1859 N N   A LYS B 11  ? 0.19338 0.27170 0.13229 0.00588  0.03191  -0.02035 7   LYS B N   
1860 N N   B LYS B 11  ? 0.18467 0.26300 0.12351 0.00585  0.03196  -0.02040 7   LYS B N   
1861 C CA  A LYS B 11  ? 0.17398 0.24009 0.10471 0.00271  0.02835  -0.01547 7   LYS B CA  
1862 C CA  B LYS B 11  ? 0.17403 0.24046 0.10471 0.00253  0.02846  -0.01551 7   LYS B CA  
1863 C C   A LYS B 11  ? 0.17100 0.23969 0.11347 0.00844  0.02319  -0.01064 7   LYS B C   
1864 C C   B LYS B 11  ? 0.16460 0.23335 0.10695 0.00834  0.02326  -0.01068 7   LYS B C   
1865 O O   A LYS B 11  ? 0.18763 0.24317 0.12692 0.01055  0.01895  -0.00686 7   LYS B O   
1866 O O   B LYS B 11  ? 0.17413 0.22960 0.11314 0.01040  0.01904  -0.00694 7   LYS B O   
1867 C CB  A LYS B 11  ? 0.20914 0.27845 0.13091 -0.00680 0.03119  -0.01475 7   LYS B CB  
1868 C CB  B LYS B 11  ? 0.17644 0.24710 0.09887 -0.00691 0.03142  -0.01490 7   LYS B CB  
1869 C CG  A LYS B 11  ? 0.21214 0.26877 0.12485 -0.01024 0.02764  -0.00993 7   LYS B CG  
1870 C CG  B LYS B 11  ? 0.22997 0.28898 0.14354 -0.01076 0.02806  -0.01012 7   LYS B CG  
1871 C CD  A LYS B 11  ? 0.30526 0.36234 0.20760 -0.02010 0.03087  -0.00995 7   LYS B CD  
1872 C CD  B LYS B 11  ? 0.23451 0.29911 0.14210 -0.01997 0.03092  -0.00999 7   LYS B CD  
1873 C CE  A LYS B 11  ? 0.38507 0.46142 0.29710 -0.02299 0.03268  -0.01085 7   LYS B CE  
1874 C CE  B LYS B 11  ? 0.36745 0.42433 0.26085 -0.02695 0.03583  -0.01249 7   LYS B CE  
1875 N NZ  A LYS B 11  ? 0.41865 0.49518 0.32170 -0.03290 0.03571  -0.01113 7   LYS B NZ  
1876 N NZ  B LYS B 11  ? 0.48174 0.51826 0.36127 -0.02789 0.03377  -0.01005 7   LYS B NZ  
1903 N N   . LYS B 12  ? 0.15873 0.24480 0.11504 0.01132  0.02360  -0.01043 8   LYS B N   
1904 C CA  . LYS B 12  ? 0.15276 0.24293 0.12103 0.01751  0.01908  -0.00546 8   LYS B CA  
1905 C C   . LYS B 12  ? 0.16294 0.24433 0.13856 0.02614  0.01601  -0.00459 8   LYS B C   
1906 O O   . LYS B 12  ? 0.14388 0.21686 0.12154 0.02967  0.01156  0.00041  8   LYS B O   
1907 C CB  . LYS B 12  ? 0.14753 0.25918 0.12876 0.01897  0.02067  -0.00586 8   LYS B CB  
1908 C CG  . LYS B 12  ? 0.23458 0.35304 0.22768 0.02494  0.01652  -0.00032 8   LYS B CG  
1909 C CD  . LYS B 12  ? 0.30740 0.44822 0.31226 0.02597  0.01846  -0.00120 8   LYS B CD  
1910 C CE  . LYS B 12  ? 0.35428 0.50348 0.36910 0.03099  0.01457  0.00461  8   LYS B CE  
1911 N NZ  . LYS B 12  ? 0.32839 0.49944 0.35127 0.02986  0.01640  0.00349  8   LYS B NZ  
1925 N N   . ILE B 13  ? 0.15229 0.23448 0.13141 0.02945  0.01828  -0.00951 9   ILE B N   
1926 C CA  . ILE B 13  ? 0.15188 0.22433 0.13761 0.03713  0.01534  -0.00951 9   ILE B CA  
1927 C C   . ILE B 13  ? 0.15511 0.20749 0.12855 0.03529  0.01246  -0.00798 9   ILE B C   
1928 O O   . ILE B 13  ? 0.15405 0.19751 0.13268 0.04035  0.00817  -0.00432 9   ILE B O   
1929 C CB  . ILE B 13  ? 0.15684 0.23369 0.14726 0.04057  0.01848  -0.01607 9   ILE B CB  
1930 C CG1 . ILE B 13  ? 0.17801 0.27470 0.18282 0.04390  0.02072  -0.01678 9   ILE B CG1 
1931 C CG2 . ILE B 13  ? 0.17183 0.23676 0.16757 0.04754  0.01531  -0.01686 9   ILE B CG2 
1932 C CD1 . ILE B 13  ? 0.18737 0.29068 0.19375 0.04519  0.02498  -0.02369 9   ILE B CD1 
1944 N N   . PHE B 14  ? 0.16229 0.20740 0.11963 0.02832  0.01496  -0.01072 10  PHE B N   
1945 C CA  . PHE B 14  ? 0.16591 0.19219 0.11075 0.02658  0.01242  -0.00936 10  PHE B CA  
1946 C C   . PHE B 14  ? 0.15982 0.18043 0.10410 0.02619  0.00817  -0.00232 10  PHE B C   
1947 O O   . PHE B 14  ? 0.15885 0.16714 0.10363 0.02993  0.00408  0.00054  10  PHE B O   
1948 C CB  . PHE B 14  ? 0.18227 0.20295 0.10956 0.01882  0.01625  -0.01253 10  PHE B CB  
1949 C CG  . PHE B 14  ? 0.17849 0.18026 0.09247 0.01716  0.01373  -0.01090 10  PHE B CG  
1950 C CD1 . PHE B 14  ? 0.19973 0.19110 0.11150 0.02124  0.01251  -0.01428 10  PHE B CD1 
1951 C CD2 . PHE B 14  ? 0.20447 0.19918 0.10923 0.01223  0.01216  -0.00604 10  PHE B CD2 
1952 C CE1 . PHE B 14  ? 0.21791 0.19264 0.11825 0.02019  0.00990  -0.01270 10  PHE B CE1 
1953 C CE2 . PHE B 14  ? 0.21229 0.18991 0.10531 0.01123  0.00975  -0.00430 10  PHE B CE2 
1954 C CZ  . PHE B 14  ? 0.19455 0.16261 0.08568 0.01527  0.00861  -0.00753 10  PHE B CZ  
1964 N N   . VAL B 15  ? 0.15664 0.18611 0.09969 0.02166  0.00903  0.00038  11  VAL B N   
1965 C CA  . VAL B 15  ? 0.15532 0.17971 0.09643 0.02110  0.00511  0.00680  11  VAL B CA  
1966 C C   . VAL B 15  ? 0.15065 0.17731 0.10713 0.02978  0.00099  0.01127  11  VAL B C   
1967 O O   . VAL B 15  ? 0.16235 0.17764 0.11755 0.03223  -0.00303 0.01592  11  VAL B O   
1968 C CB  . VAL B 15  ? 0.16633 0.20100 0.10386 0.01471  0.00676  0.00807  11  VAL B CB  
1969 C CG1 . VAL B 15  ? 0.20486 0.23339 0.12578 0.00558  0.01045  0.00498  11  VAL B CG1 
1970 C CG2 . VAL B 15  ? 0.39169 0.44642 0.34258 0.01672  0.00871  0.00665  11  VAL B CG2 
1980 N N   . GLN B 16  ? 0.14005 0.18109 0.11157 0.03485  0.00209  0.01009  12  GLN B N   
1981 C CA  . GLN B 16  ? 0.13252 0.17767 0.12001 0.04330  -0.00129 0.01501  12  GLN B CA  
1982 C C   . GLN B 16  ? 0.14047 0.17422 0.13436 0.04976  -0.00352 0.01451  12  GLN B C   
1983 O O   . GLN B 16  ? 0.15969 0.19076 0.16368 0.05589  -0.00710 0.01995  12  GLN B O   
1984 C CB  . GLN B 16  ? 0.14244 0.20780 0.14403 0.04661  0.00081  0.01434  12  GLN B CB  
1985 C CG  . GLN B 16  ? 0.12949 0.20804 0.12743 0.04098  0.00235  0.01516  12  GLN B CG  
1986 C CD  . GLN B 16  ? 0.16532 0.26407 0.17810 0.04524  0.00354  0.01566  12  GLN B CD  
1987 O OE1 . GLN B 16  ? 0.20570 0.30960 0.23144 0.05212  0.00403  0.01485  12  GLN B OE1 
1988 N NE2 . GLN B 16  ? 0.15055 0.26123 0.16198 0.04142  0.00394  0.01691  12  GLN B NE2 
1997 N N   . ARG B 17  ? 0.14060 0.16825 0.12960 0.04880  -0.00146 0.00807  13  ARG B N   
1998 C CA  . ARG B 17  ? 0.14216 0.16063 0.13874 0.05514  -0.00348 0.00629  13  ARG B CA  
1999 C C   . ARG B 17  ? 0.14842 0.14865 0.13185 0.05265  -0.00501 0.00410  13  ARG B C   
2000 O O   . ARG B 17  ? 0.20716 0.19814 0.19708 0.05790  -0.00781 0.00364  13  ARG B O   
2001 C CB  . ARG B 17  ? 0.14579 0.17350 0.15136 0.05860  -0.00032 -0.00017 13  ARG B CB  
2002 C CG  . ARG B 17  ? 0.18994 0.23646 0.20947 0.06183  0.00148  0.00134  13  ARG B CG  
2003 C CD  . ARG B 17  ? 0.21340 0.26281 0.24814 0.06873  -0.00197 0.00859  13  ARG B CD  
2004 N NE  . ARG B 17  ? 0.23156 0.27049 0.27653 0.07567  -0.00490 0.00915  13  ARG B NE  
2005 C CZ  . ARG B 17  ? 0.28434 0.32754 0.34344 0.08214  -0.00406 0.00603  13  ARG B CZ  
2006 N NH1 . ARG B 17  ? 0.24082 0.29870 0.30503 0.08282  -0.00028 0.00210  13  ARG B NH1 
2007 N NH2 . ARG B 17  ? 0.28439 0.31668 0.35285 0.08722  -0.00699 0.00667  13  ARG B NH2 
2021 N N   . CYS B 18  ? 0.16133 0.18017 0.12233 0.03938  -0.00539 0.01008  14  CYS B N   
2022 C CA  . CYS B 18  ? 0.13465 0.15586 0.09596 0.04364  -0.00406 0.01184  14  CYS B CA  
2023 C C   . CYS B 18  ? 0.14730 0.17202 0.11012 0.04670  -0.00053 0.01062  14  CYS B C   
2024 O O   . CYS B 18  ? 0.14328 0.17340 0.10596 0.04877  -0.00040 0.01168  14  CYS B O   
2025 C CB  . CYS B 18  ? 0.15100 0.16541 0.11310 0.04705  -0.00279 0.01286  14  CYS B CB  
2026 S SG  . CYS B 18  ? 0.16154 0.17039 0.12288 0.04435  -0.00612 0.01329  14  CYS B SG  
2031 N N   . ALA B 19  ? 0.13925 0.16109 0.10362 0.04715  0.00224  0.00826  15  ALA B N   
2032 C CA  . ALA B 19  ? 0.13858 0.16264 0.10477 0.05072  0.00562  0.00684  15  ALA B CA  
2033 C C   . ALA B 19  ? 0.14799 0.18166 0.11398 0.04949  0.00504  0.00604  15  ALA B C   
2034 O O   . ALA B 19  ? 0.15494 0.19206 0.12242 0.05305  0.00717  0.00522  15  ALA B O   
2035 C CB  . ALA B 19  ? 0.14193 0.16101 0.10972 0.05085  0.00831  0.00429  15  ALA B CB  
2041 N N   . GLN B 20  ? 0.15564 0.19379 0.11980 0.04440  0.00211  0.00609  16  GLN B N   
2042 C CA  . GLN B 20  ? 0.15851 0.20648 0.12204 0.04273  0.00130  0.00558  16  GLN B CA  
2043 C C   . GLN B 20  ? 0.17020 0.22230 0.13402 0.04664  0.00155  0.00719  16  GLN B C   
2044 O O   . GLN B 20  ? 0.18827 0.24752 0.15315 0.04814  0.00284  0.00586  16  GLN B O   
2045 C CB  . GLN B 20  ? 0.17172 0.22281 0.13237 0.03657  -0.00276 0.00649  16  GLN B CB  
2046 C CG  . GLN B 20  ? 0.36593 0.42745 0.32515 0.03431  -0.00430 0.00675  16  GLN B CG  
2047 C CD  . GLN B 20  ? 0.33004 0.39333 0.28585 0.02909  -0.00902 0.00888  16  GLN B CD  
2048 O OE1 . GLN B 20  ? 0.20754 0.26459 0.16210 0.02645  -0.01145 0.00967  16  GLN B OE1 
2049 N NE2 . GLN B 20  ? 0.26616 0.33809 0.22044 0.02751  -0.01055 0.00972  16  GLN B NE2 
2058 N N   . CYS B 21  ? 0.14440 0.19219 0.10743 0.04845  0.00034  0.00985  17  CYS B N   
2059 C CA  . CYS B 21  ? 0.15315 0.20457 0.11599 0.05159  -0.00005 0.01180  17  CYS B CA  
2060 C C   . CYS B 21  ? 0.14607 0.19152 0.11032 0.05720  0.00222  0.01274  17  CYS B C   
2061 O O   . CYS B 21  ? 0.18161 0.22992 0.14590 0.06029  0.00216  0.01421  17  CYS B O   
2062 C CB  . CYS B 21  ? 0.16429 0.21708 0.12451 0.04857  -0.00403 0.01452  17  CYS B CB  
2063 S SG  . CYS B 21  ? 0.15842 0.21867 0.11625 0.04172  -0.00728 0.01393  17  CYS B SG  
2068 N N   . HIS B 22  ? 0.17234 0.20963 0.13756 0.05845  0.00409  0.01203  18  HIS B N   
2069 C CA  . HIS B 22  ? 0.17104 0.20182 0.13695 0.06298  0.00585  0.01328  18  HIS B CA  
2070 C C   . HIS B 22  ? 0.19232 0.21746 0.16005 0.06517  0.00907  0.01118  18  HIS B C   
2071 O O   . HIS B 22  ? 0.18129 0.20389 0.14935 0.06251  0.00956  0.00940  18  HIS B O   
2072 C CB  . HIS B 22  ? 0.16510 0.18993 0.12960 0.06173  0.00416  0.01533  18  HIS B CB  
2073 C CG  . HIS B 22  ? 0.14047 0.16914 0.10317 0.06024  0.00088  0.01774  18  HIS B CG  
2074 N ND1 . HIS B 22  ? 0.16794 0.19825 0.13030 0.06350  0.00072  0.01987  18  HIS B ND1 
2075 C CD2 . HIS B 22  ? 0.16598 0.19628 0.12704 0.05593  -0.00256 0.01846  18  HIS B CD2 
2076 C CE1 . HIS B 22  ? 0.17337 0.20657 0.13404 0.06126  -0.00251 0.02175  18  HIS B CE1 
2077 N NE2 . HIS B 22  ? 0.16624 0.19946 0.12606 0.05667  -0.00465 0.02093  18  HIS B NE2 
2085 N N   . THR B 23  ? 0.16430 0.18690 0.13302 0.06998  0.01105  0.01155  19  THR B N   
2086 C CA  . THR B 23  ? 0.18585 0.20099 0.15574 0.07249  0.01376  0.01044  19  THR B CA  
2087 C C   . THR B 23  ? 0.17991 0.18766 0.14864 0.07415  0.01390  0.01290  19  THR B C   
2088 O O   . THR B 23  ? 0.19647 0.20555 0.16388 0.07441  0.01218  0.01534  19  THR B O   
2089 C CB  . THR B 23  ? 0.18248 0.19984 0.15426 0.07672  0.01565  0.00886  19  THR B CB  
2090 O OG1 . THR B 23  ? 0.21549 0.23464 0.18688 0.08020  0.01501  0.01090  19  THR B OG1 
2091 C CG2 . THR B 23  ? 0.15103 0.17684 0.12410 0.07492  0.01558  0.00608  19  THR B CG2 
2099 N N   . VAL B 24  ? 0.19670 0.19677 0.16583 0.07504  0.01596  0.01217  20  VAL B N   
2100 C CA  . VAL B 24  ? 0.19179 0.18467 0.15971 0.07617  0.01639  0.01418  20  VAL B CA  
2101 C C   . VAL B 24  ? 0.24926 0.23650 0.21749 0.08039  0.01866  0.01440  20  VAL B C   
2102 O O   . VAL B 24  ? 0.27559 0.25824 0.24245 0.08189  0.01878  0.01660  20  VAL B O   
2103 C CB  . VAL B 24  ? 0.22914 0.21715 0.19661 0.07264  0.01629  0.01358  20  VAL B CB  
2104 C CG1 . VAL B 24  ? 0.25453 0.24711 0.22128 0.06877  0.01334  0.01394  20  VAL B CG1 
2105 C CG2 . VAL B 24  ? 0.26528 0.25017 0.23410 0.07177  0.01833  0.01078  20  VAL B CG2 
2115 N N   . GLU B 25  ? 0.24044 0.22770 0.21029 0.08227  0.02028  0.01220  21  GLU B N   
2116 C CA  . GLU B 25  ? 0.22226 0.20321 0.19231 0.08610  0.02212  0.01224  21  GLU B CA  
2117 C C   . GLU B 25  ? 0.22784 0.21015 0.19742 0.09011  0.02141  0.01418  21  GLU B C   
2118 O O   . GLU B 25  ? 0.26424 0.25399 0.23425 0.09063  0.01996  0.01447  21  GLU B O   
2119 C CB  . GLU B 25  ? 0.34827 0.32961 0.32048 0.08719  0.02368  0.00904  21  GLU B CB  
2120 C CG  . GLU B 25  ? 0.37545 0.36388 0.34939 0.09016  0.02324  0.00774  21  GLU B CG  
2121 C CD  . GLU B 25  ? 0.68366 0.67313 0.66002 0.09121  0.02469  0.00417  21  GLU B CD  
2122 O OE1 . GLU B 25  ? 0.76128 0.74376 0.73784 0.09128  0.02628  0.00318  21  GLU B OE1 
2123 O OE2 . GLU B 25  ? 0.60782 0.60540 0.58592 0.09193  0.02423  0.00224  21  GLU B OE2 
2130 N N   . ALA B 26  ? 0.27580 0.25072 0.24444 0.09294  0.02241  0.01541  22  ALA B N   
2131 C CA  . ALA B 26  ? 0.32572 0.30063 0.29397 0.09717  0.02179  0.01699  22  ALA B CA  
2132 C C   . ALA B 26  ? 0.26866 0.24937 0.23942 0.09996  0.02167  0.01453  22  ALA B C   
2133 O O   . ALA B 26  ? 0.30567 0.28539 0.27817 0.10048  0.02290  0.01175  22  ALA B O   
2134 C CB  . ALA B 26  ? 0.32799 0.29380 0.29492 0.09722  0.02250  0.01797  22  ALA B CB  
2140 N N   . GLY B 27  ? 0.28376 0.27079 0.25480 0.10159  0.02015  0.01535  23  GLY B N   
2141 C CA  . GLY B 27  ? 0.35293 0.34693 0.32652 0.10407  0.01990  0.01276  23  GLY B CA  
2142 C C   . GLY B 27  ? 0.26555 0.26788 0.24067 0.10092  0.01987  0.01028  23  GLY B C   
2143 O O   . GLY B 27  ? 0.36509 0.37412 0.34249 0.10245  0.01984  0.00763  23  GLY B O   
2147 N N   . GLY B 28  ? 0.25781 0.26001 0.23171 0.09626  0.01971  0.01090  24  GLY B N   
2148 C CA  . GLY B 28  ? 0.27462 0.28438 0.24947 0.09257  0.01930  0.00881  24  GLY B CA  
2149 C C   . GLY B 28  ? 0.18329 0.20286 0.15825 0.09236  0.01753  0.00920  24  GLY B C   
2150 O O   . GLY B 28  ? 0.21511 0.23526 0.18881 0.09375  0.01628  0.01183  24  GLY B O   
2154 N N   . LYS B 29  ? 0.21578 0.24338 0.19217 0.09039  0.01742  0.00654  25  LYS B N   
2155 C CA  . LYS B 29  ? 0.24551 0.28314 0.22212 0.09019  0.01589  0.00650  25  LYS B CA  
2156 C C   . LYS B 29  ? 0.18581 0.22627 0.15998 0.08581  0.01375  0.00899  25  LYS B C   
2157 O O   . LYS B 29  ? 0.20226 0.23908 0.17510 0.08200  0.01337  0.00962  25  LYS B O   
2158 C CB  . LYS B 29  ? 0.26366 0.30960 0.24252 0.08933  0.01652  0.00259  25  LYS B CB  
2159 C CG  . LYS B 29  ? 0.28776 0.33506 0.26616 0.08405  0.01665  0.00115  25  LYS B CG  
2160 C CD  . LYS B 29  ? 0.50687 0.56232 0.48770 0.08368  0.01759  -0.00302 25  LYS B CD  
2161 C CE  . LYS B 29  ? 0.70681 0.76465 0.68691 0.07792  0.01747  -0.00443 25  LYS B CE  
2162 N NZ  . LYS B 29  ? 0.77234 0.83851 0.75475 0.07740  0.01850  -0.00862 25  LYS B NZ  
2176 N N   . HIS B 30  ? 0.20473 0.25117 0.17831 0.08665  0.01218  0.01049  26  HIS B N   
2177 C CA  . HIS B 30  ? 0.19093 0.24279 0.16254 0.08236  0.00984  0.01211  26  HIS B CA  
2178 C C   . HIS B 30  ? 0.18119 0.24096 0.15328 0.07830  0.00952  0.00945  26  HIS B C   
2179 O O   . HIS B 30  ? 0.21067 0.27560 0.18493 0.07975  0.01082  0.00639  26  HIS B O   
2180 C CB  . HIS B 30  ? 0.20660 0.26359 0.17766 0.08455  0.00839  0.01405  26  HIS B CB  
2181 C CG  . HIS B 30  ? 0.19886 0.24888 0.16929 0.08851  0.00857  0.01672  26  HIS B CG  
2182 N ND1 . HIS B 30  ? 0.18977 0.23108 0.15863 0.08773  0.00858  0.01887  26  HIS B ND1 
2183 C CD2 . HIS B 30  ? 0.22947 0.28013 0.20058 0.09320  0.00868  0.01748  26  HIS B CD2 
2184 C CE1 . HIS B 30  ? 0.22403 0.26107 0.19242 0.09154  0.00875  0.02098  26  HIS B CE1 
2185 N NE2 . HIS B 30  ? 0.21553 0.25780 0.18520 0.09495  0.00873  0.02027  26  HIS B NE2 
2193 N N   . LYS B 31  ? 0.19142 0.25223 0.16141 0.07311  0.00760  0.01054  27  LYS B N   
2194 C CA  . LYS B 31  ? 0.15774 0.22597 0.12739 0.06839  0.00676  0.00857  27  LYS B CA  
2195 C C   . LYS B 31  ? 0.17730 0.25142 0.14453 0.06530  0.00371  0.01090  27  LYS B C   
2196 O O   . LYS B 31  ? 0.21290 0.28959 0.18004 0.06814  0.00313  0.01251  27  LYS B O   
2197 C CB  . LYS B 31  ? 0.18184 0.24457 0.15101 0.06471  0.00703  0.00762  27  LYS B CB  
2198 C CG  . LYS B 31  ? 0.23913 0.29541 0.21060 0.06788  0.01009  0.00545  27  LYS B CG  
2199 C CD  . LYS B 31  ? 0.26488 0.31453 0.23585 0.06460  0.01042  0.00479  27  LYS B CD  
2200 C CE  . LYS B 31  ? 0.35899 0.41433 0.33000 0.06012  0.01017  0.00223  27  LYS B CE  
2201 N NZ  . LYS B 31  ? 0.28579 0.33432 0.25679 0.05772  0.01088  0.00120  27  LYS B NZ  
2215 N N   . VAL B 32  ? 0.16137 0.23700 0.12645 0.05956  0.00149  0.01134  28  VAL B N   
2216 C CA  . VAL B 32  ? 0.17851 0.25780 0.14094 0.05671  -0.00182 0.01404  28  VAL B CA  
2217 C C   . VAL B 32  ? 0.15613 0.22830 0.11777 0.05918  -0.00270 0.01717  28  VAL B C   
2218 O O   . VAL B 32  ? 0.18663 0.26188 0.14722 0.06010  -0.00431 0.01937  28  VAL B O   
2219 C CB  . VAL B 32  ? 0.19419 0.27561 0.15425 0.04993  -0.00442 0.01390  28  VAL B CB  
2220 C CG1 . VAL B 32  ? 0.23652 0.31822 0.19360 0.04699  -0.00832 0.01710  28  VAL B CG1 
2221 C CG2 . VAL B 32  ? 0.20857 0.30000 0.16885 0.04736  -0.00401 0.01135  28  VAL B CG2 
2231 N N   . GLY B 33  ? 0.15628 0.21919 0.11860 0.06066  -0.00138 0.01725  29  GLY B N   
2232 C CA  . GLY B 33  ? 0.16505 0.22118 0.12679 0.06306  -0.00182 0.01984  29  GLY B CA  
2233 C C   . GLY B 33  ? 0.17193 0.22296 0.13559 0.06859  0.00128  0.01949  29  GLY B C   
2234 O O   . GLY B 33  ? 0.16588 0.21708 0.13145 0.07039  0.00371  0.01701  29  GLY B O   
2238 N N   . PRO B 34  ? 0.15567 0.20166 0.11872 0.07118  0.00110  0.02192  30  PRO B N   
2239 C CA  . PRO B 34  ? 0.15597 0.19677 0.12031 0.07627  0.00366  0.02200  30  PRO B CA  
2240 C C   . PRO B 34  ? 0.15877 0.19149 0.12393 0.07648  0.00583  0.02059  30  PRO B C   
2241 O O   . PRO B 34  ? 0.16060 0.18954 0.12504 0.07319  0.00516  0.02048  30  PRO B O   
2242 C CB  . PRO B 34  ? 0.19139 0.22927 0.15425 0.07779  0.00241  0.02523  30  PRO B CB  
2243 C CG  . PRO B 34  ? 0.19192 0.22996 0.15307 0.07312  -0.00038 0.02627  30  PRO B CG  
2244 C CD  . PRO B 34  ? 0.20294 0.24820 0.16396 0.06950  -0.00171 0.02473  30  PRO B CD  
2252 N N   . ASN B 35  ? 0.18068 0.21046 0.14733 0.08055  0.00827  0.01956  31  ASN B N   
2253 C CA  . ASN B 35  ? 0.20100 0.22199 0.16807 0.08148  0.01033  0.01892  31  ASN B CA  
2254 C C   . ASN B 35  ? 0.18077 0.19550 0.14611 0.08119  0.00969  0.02154  31  ASN B C   
2255 O O   . ASN B 35  ? 0.20522 0.22081 0.16950 0.08280  0.00858  0.02395  31  ASN B O   
2256 C CB  . ASN B 35  ? 0.18784 0.20639 0.15642 0.08631  0.01251  0.01789  31  ASN B CB  
2257 C CG  . ASN B 35  ? 0.21605 0.22478 0.18445 0.08755  0.01439  0.01799  31  ASN B CG  
2258 O OD1 . ASN B 35  ? 0.21634 0.21978 0.18353 0.08971  0.01456  0.02023  31  ASN B OD1 
2259 N ND2 . ASN B 35  ? 0.19884 0.20509 0.16827 0.08600  0.01581  0.01557  31  ASN B ND2 
2266 N N   . LEU B 36  ? 0.20337 0.21203 0.16852 0.07910  0.01042  0.02088  32  LEU B N   
2267 C CA  . LEU B 36  ? 0.16144 0.16496 0.12515 0.07804  0.00970  0.02273  32  LEU B CA  
2268 C C   . LEU B 36  ? 0.19366 0.18900 0.15710 0.08064  0.01199  0.02330  32  LEU B C   
2269 O O   . LEU B 36  ? 0.19933 0.19023 0.16169 0.07954  0.01177  0.02440  32  LEU B O   
2270 C CB  . LEU B 36  ? 0.16992 0.17277 0.13348 0.07345  0.00844  0.02155  32  LEU B CB  
2271 C CG  . LEU B 36  ? 0.15193 0.16205 0.11510 0.07011  0.00559  0.02135  32  LEU B CG  
2272 C CD1 . LEU B 36  ? 0.21668 0.22509 0.17973 0.06572  0.00428  0.01993  32  LEU B CD1 
2273 C CD2 . LEU B 36  ? 0.20188 0.21559 0.16368 0.07038  0.00308  0.02399  32  LEU B CD2 
2285 N N   . HIS B 37  ? 0.20329 0.19662 0.16758 0.08401  0.01397  0.02255  33  HIS B N   
2286 C CA  . HIS B 37  ? 0.22429 0.20943 0.18781 0.08616  0.01581  0.02338  33  HIS B CA  
2287 C C   . HIS B 37  ? 0.23277 0.21655 0.19444 0.08752  0.01488  0.02647  33  HIS B C   
2288 O O   . HIS B 37  ? 0.21726 0.20582 0.17873 0.08932  0.01357  0.02786  33  HIS B O   
2289 C CB  . HIS B 37  ? 0.22331 0.20638 0.18791 0.08983  0.01752  0.02222  33  HIS B CB  
2290 C CG  . HIS B 37  ? 0.30478 0.27893 0.26817 0.09166  0.01913  0.02323  33  HIS B CG  
2291 N ND1 . HIS B 37  ? 0.40311 0.37106 0.36628 0.08975  0.02068  0.02215  33  HIS B ND1 
2292 C CD2 . HIS B 37  ? 0.42984 0.40070 0.39207 0.09327  0.01907  0.02489  33  HIS B CD2 
2293 C CE1 . HIS B 37  ? 0.32395 0.28508 0.28570 0.09081  0.02165  0.02335  33  HIS B CE1 
2294 N NE2 . HIS B 37  ? 0.50824 0.47108 0.46941 0.09241  0.02055  0.02493  33  HIS B NE2 
2295 N N   . GLY B 38  ? 0.23246 0.20698 0.14340 0.07034  0.02364  0.04126  34  GLY B N   
2296 C CA  . GLY B 38  ? 0.24535 0.21846 0.14208 0.07150  0.02032  0.04312  34  GLY B CA  
2297 C C   . GLY B 38  ? 0.26058 0.24019 0.15476 0.06879  0.01890  0.03790  34  GLY B C   
2298 O O   . GLY B 38  ? 0.31119 0.29152 0.19528 0.07012  0.01470  0.03865  34  GLY B O   
2302 N N   . LEU B 39  ? 0.23103 0.21517 0.13378 0.06492  0.02244  0.03266  35  LEU B N   
2303 C CA  . LEU B 39  ? 0.29435 0.28559 0.19644 0.06243  0.02065  0.02720  35  LEU B CA  
2304 C C   . LEU B 39  ? 0.26769 0.25545 0.15480 0.06063  0.02244  0.02813  35  LEU B C   
2305 O O   . LEU B 39  ? 0.26422 0.25626 0.14559 0.06094  0.01803  0.02620  35  LEU B O   
2306 C CB  . LEU B 39  ? 0.21665 0.21228 0.13052 0.05843  0.02490  0.02185  35  LEU B CB  
2307 C CG  . LEU B 39  ? 0.28138 0.28494 0.19677 0.05553  0.02340  0.01561  35  LEU B CG  
2308 C CD1 . LEU B 39  ? 0.36519 0.37663 0.28589 0.05830  0.01558  0.01323  35  LEU B CD1 
2309 C CD2 . LEU B 39  ? 0.27663 0.28246 0.20196 0.05124  0.02895  0.01120  35  LEU B CD2 
2321 N N   . PHE B 40  ? 0.25786 0.23796 0.13847 0.05869  0.02887  0.03098  36  PHE B N   
2322 C CA  . PHE B 40  ? 0.24475 0.22193 0.11209 0.05632  0.03133  0.03115  36  PHE B CA  
2323 C C   . PHE B 40  ? 0.25940 0.23317 0.11338 0.05967  0.02676  0.03558  36  PHE B C   
2324 O O   . PHE B 40  ? 0.31002 0.27819 0.16097 0.06296  0.02568  0.04090  36  PHE B O   
2325 C CB  . PHE B 40  ? 0.24088 0.21072 0.10511 0.05328  0.03960  0.03297  36  PHE B CB  
2326 C CG  . PHE B 40  ? 0.25022 0.22352 0.12434 0.04892  0.04462  0.02786  36  PHE B CG  
2327 C CD1 . PHE B 40  ? 0.24144 0.21881 0.13055 0.04899  0.04452  0.02546  36  PHE B CD1 
2328 C CD2 . PHE B 40  ? 0.29725 0.26948 0.16560 0.04473  0.04953  0.02557  36  PHE B CD2 
2329 C CE1 . PHE B 40  ? 0.31476 0.29514 0.21292 0.04494  0.04913  0.02082  36  PHE B CE1 
2330 C CE2 . PHE B 40  ? 0.31923 0.29449 0.19677 0.04071  0.05412  0.02092  36  PHE B CE2 
2331 C CZ  . PHE B 40  ? 0.32291 0.30217 0.21523 0.04081  0.05391  0.01859  36  PHE B CZ  
2341 N N   A GLY B 41  ? 0.26203 0.23904 0.10781 0.05874  0.02415  0.03338  37  GLY B N   
2342 N N   B GLY B 41  ? 0.26199 0.23908 0.10792 0.05880  0.02404  0.03337  37  GLY B N   
2343 C CA  A GLY B 41  ? 0.27752 0.25162 0.10992 0.06148  0.01990  0.03711  37  GLY B CA  
2344 C CA  B GLY B 41  ? 0.27758 0.25163 0.11008 0.06155  0.01985  0.03718  37  GLY B CA  
2345 C C   A GLY B 41  ? 0.29798 0.27742 0.13281 0.06547  0.01151  0.03701  37  GLY B C   
2346 C C   B GLY B 41  ? 0.31821 0.29787 0.15302 0.06539  0.01145  0.03684  37  GLY B C   
2347 O O   A GLY B 41  ? 0.32486 0.30193 0.14883 0.06808  0.00743  0.04031  37  GLY B O   
2348 O O   B GLY B 41  ? 0.35716 0.33498 0.18102 0.06777  0.00732  0.03970  37  GLY B O   
2355 N N   . ARG B 42  ? 0.28722 0.27372 0.13582 0.06602  0.00877  0.03335  38  ARG B N   
2356 C CA  . ARG B 42  ? 0.32016 0.31204 0.17241 0.06983  0.00086  0.03306  38  ARG B CA  
2357 C C   . ARG B 42  ? 0.27707 0.27868 0.13528 0.06797  -0.00210 0.02649  38  ARG B C   
2358 O O   . ARG B 42  ? 0.26914 0.27378 0.13330 0.06405  0.00212  0.02206  38  ARG B O   
2359 C CB  . ARG B 42  ? 0.32974 0.32100 0.19358 0.07255  0.00006  0.03498  38  ARG B CB  
2360 C CG  . ARG B 42  ? 0.30112 0.29724 0.17015 0.07692  -0.00793 0.03526  38  ARG B CG  
2361 C CD  . ARG B 42  ? 0.35033 0.34597 0.23200 0.07880  -0.00750 0.03648  38  ARG B CD  
2362 N NE  . ARG B 42  ? 0.33484 0.33589 0.22987 0.07567  -0.00437 0.03119  38  ARG B NE  
2363 C CZ  . ARG B 42  ? 0.39413 0.39530 0.30144 0.07608  -0.00253 0.03110  38  ARG B CZ  
2364 N NH1 . ARG B 42  ? 0.37686 0.37290 0.28482 0.07954  -0.00341 0.03612  38  ARG B NH1 
2365 N NH2 . ARG B 42  ? 0.35877 0.36508 0.27760 0.07298  0.00023  0.02601  38  ARG B NH2 
2375 N N   . LYS B 43  ? 0.27625 0.28270 0.13292 0.07081  -0.00942 0.02591  39  LYS B N   
2376 C CA  . LYS B 43  ? 0.25783 0.27364 0.11950 0.06951  -0.01306 0.01995  39  LYS B CA  
2377 C C   . LYS B 43  ? 0.25134 0.27351 0.13002 0.06914  -0.01351 0.01595  39  LYS B C   
2378 O O   . LYS B 43  ? 0.26973 0.28959 0.15639 0.07076  -0.01245 0.01810  39  LYS B O   
2379 C CB  . LYS B 43  ? 0.28638 0.30523 0.14151 0.07295  -0.02097 0.02085  39  LYS B CB  
2380 C CG  . LYS B 43  ? 0.37293 0.38702 0.21109 0.07285  -0.02110 0.02368  39  LYS B CG  
2381 C CD  . LYS B 43  ? 0.45061 0.46862 0.28327 0.07598  -0.02908 0.02386  39  LYS B CD  
2382 C CE  . LYS B 43  ? 0.77291 0.79011 0.59160 0.07419  -0.02907 0.02338  39  LYS B CE  
2383 N NZ  . LYS B 43  ? 0.99191 0.99954 0.79806 0.07343  -0.02421 0.02820  39  LYS B NZ  
2397 N N   . THR B 44  ? 0.25025 0.28056 0.13438 0.06693  -0.01512 0.01000  40  THR B N   
2398 C CA  . THR B 44  ? 0.21879 0.25599 0.11866 0.06649  -0.01618 0.00568  40  THR B CA  
2399 C C   . THR B 44  ? 0.22186 0.26168 0.12730 0.07120  -0.02287 0.00738  40  THR B C   
2400 O O   . THR B 44  ? 0.23442 0.27358 0.13167 0.07443  -0.02820 0.01011  40  THR B O   
2401 C CB  . THR B 44  ? 0.24443 0.29014 0.14781 0.06360  -0.01764 -0.00088 40  THR B CB  
2402 O OG1 . THR B 44  ? 0.36468 0.41370 0.26010 0.06561  -0.02397 -0.00107 40  THR B OG1 
2403 C CG2 . THR B 44  ? 0.23459 0.27867 0.13442 0.05865  -0.01096 -0.00336 40  THR B CG2 
2411 N N   . GLY B 45  ? 0.22037 0.26324 0.14001 0.07152  -0.02260 0.00563  41  GLY B N   
2412 C CA  . GLY B 45  ? 0.21332 0.26053 0.14050 0.07548  -0.02913 0.00582  41  GLY B CA  
2413 C C   . GLY B 45  ? 0.22238 0.26344 0.14649 0.07988  -0.03118 0.01209  41  GLY B C   
2414 O O   . GLY B 45  ? 0.26582 0.31004 0.19244 0.08363  -0.03767 0.01285  41  GLY B O   
2418 N N   . GLN B 46  ? 0.22757 0.25998 0.14680 0.07958  -0.02589 0.01660  42  GLN B N   
2419 C CA  . GLN B 46  ? 0.26185 0.28760 0.17533 0.08369  -0.02785 0.02302  42  GLN B CA  
2420 C C   . GLN B 46  ? 0.28594 0.30815 0.20894 0.08508  -0.02534 0.02556  42  GLN B C   
2421 O O   . GLN B 46  ? 0.30682 0.32374 0.22607 0.08868  -0.02723 0.03084  42  GLN B O   
2422 C CB  . GLN B 46  ? 0.26170 0.27930 0.15924 0.08308  -0.02479 0.02733  42  GLN B CB  
2423 C CG  . GLN B 46  ? 0.35109 0.37132 0.23781 0.08214  -0.02755 0.02558  42  GLN B CG  
2424 C CD  . GLN B 46  ? 0.34010 0.36555 0.22649 0.08582  -0.03603 0.02528  42  GLN B CD  
2425 O OE1 . GLN B 46  ? 0.37165 0.39443 0.25737 0.08998  -0.03990 0.02946  42  GLN B OE1 
2426 N NE2 . GLN B 46  ? 0.37000 0.40304 0.25733 0.08438  -0.03908 0.02028  42  GLN B NE2 
2435 N N   . ALA B 47  ? 0.27240 0.29714 0.20730 0.08237  -0.02116 0.02212  43  ALA B N   
2436 C CA  . ALA B 47  ? 0.21922 0.24050 0.16307 0.08369  -0.01872 0.02459  43  ALA B CA  
2437 C C   . ALA B 47  ? 0.28170 0.30554 0.23118 0.08849  -0.02552 0.02624  43  ALA B C   
2438 O O   . ALA B 47  ? 0.27077 0.30249 0.22637 0.08939  -0.03080 0.02248  43  ALA B O   
2439 C CB  . ALA B 47  ? 0.20278 0.22773 0.15949 0.08003  -0.01402 0.01989  43  ALA B CB  
2445 N N   . ALA B 48  ? 0.24766 0.26476 0.19494 0.09158  -0.02542 0.03189  44  ALA B N   
2446 C CA  . ALA B 48  ? 0.27059 0.28912 0.22157 0.09643  -0.03197 0.03418  44  ALA B CA  
2447 C C   . ALA B 48  ? 0.23772 0.26324 0.20550 0.09672  -0.03363 0.03018  44  ALA B C   
2448 O O   . ALA B 48  ? 0.25852 0.28258 0.23541 0.09528  -0.02893 0.02976  44  ALA B O   
2449 C CB  . ALA B 48  ? 0.29896 0.30841 0.24499 0.09927  -0.03059 0.04096  44  ALA B CB  
2455 N N   . GLY B 49  ? 0.22192 0.25496 0.19372 0.09862  -0.04038 0.02730  45  GLY B N   
2456 C CA  . GLY B 49  ? 0.22343 0.26310 0.21061 0.09957  -0.04297 0.02394  45  GLY B CA  
2457 C C   . GLY B 49  ? 0.21459 0.26172 0.21116 0.09559  -0.04102 0.01716  45  GLY B C   
2458 O O   . GLY B 49  ? 0.23844 0.29149 0.24809 0.09616  -0.04316 0.01398  45  GLY B O   
2462 N N   . PHE B 50  ? 0.21457 0.26162 0.20523 0.09155  -0.03699 0.01477  46  PHE B N   
2463 C CA  . PHE B 50  ? 0.22748 0.28173 0.22647 0.08770  -0.03538 0.00821  46  PHE B CA  
2464 C C   . PHE B 50  ? 0.21850 0.28030 0.21518 0.08815  -0.04153 0.00458  46  PHE B C   
2465 O O   . PHE B 50  ? 0.24340 0.30346 0.22775 0.08930  -0.04421 0.00660  46  PHE B O   
2466 C CB  . PHE B 50  ? 0.17454 0.22529 0.16895 0.08294  -0.02793 0.00710  46  PHE B CB  
2467 C CG  . PHE B 50  ? 0.15925 0.21692 0.16317 0.07888  -0.02581 0.00050  46  PHE B CG  
2468 C CD1 . PHE B 50  ? 0.19418 0.25352 0.21178 0.07755  -0.02275 -0.00164 46  PHE B CD1 
2469 C CD2 . PHE B 50  ? 0.17348 0.23618 0.17298 0.07654  -0.02717 -0.00359 46  PHE B CD2 
2470 C CE1 . PHE B 50  ? 0.14222 0.20793 0.16866 0.07387  -0.02100 -0.00770 46  PHE B CE1 
2471 C CE2 . PHE B 50  ? 0.17122 0.24037 0.17958 0.07289  -0.02547 -0.00967 46  PHE B CE2 
2472 C CZ  . PHE B 50  ? 0.18586 0.25656 0.20777 0.07157  -0.02246 -0.01174 46  PHE B CZ  
2482 N N   . ALA B 51  ? 0.21127 0.28142 0.21983 0.08717  -0.04368 -0.00083 47  ALA B N   
2483 C CA  . ALA B 51  ? 0.27471 0.35280 0.28276 0.08744  -0.04951 -0.00486 47  ALA B CA  
2484 C C   . ALA B 51  ? 0.20207 0.28324 0.20811 0.08255  -0.04591 -0.00962 47  ALA B C   
2485 O O   . ALA B 51  ? 0.19913 0.28471 0.21554 0.07951  -0.04323 -0.01424 47  ALA B O   
2486 C CB  . ALA B 51  ? 0.29665 0.38215 0.31886 0.08921  -0.05403 -0.00807 47  ALA B CB  
2492 N N   . TYR B 52  ? 0.24369 0.32256 0.23625 0.08176  -0.04593 -0.00853 48  TYR B N   
2493 C CA  . TYR B 52  ? 0.21905 0.30014 0.20800 0.07724  -0.04253 -0.01259 48  TYR B CA  
2494 C C   . TYR B 52  ? 0.18630 0.27665 0.17755 0.07686  -0.04794 -0.01781 48  TYR B C   
2495 O O   . TYR B 52  ? 0.22811 0.32195 0.21941 0.08039  -0.05467 -0.01734 48  TYR B O   
2496 C CB  . TYR B 52  ? 0.20736 0.28171 0.18016 0.07677  -0.04042 -0.00889 48  TYR B CB  
2497 C CG  . TYR B 52  ? 0.21120 0.27611 0.17955 0.07613  -0.03404 -0.00419 48  TYR B CG  
2498 C CD1 . TYR B 52  ? 0.19952 0.25790 0.16319 0.07995  -0.03528 0.00194  48  TYR B CD1 
2499 C CD2 . TYR B 52  ? 0.21597 0.27836 0.18421 0.07170  -0.02685 -0.00580 48  TYR B CD2 
2500 C CE1 . TYR B 52  ? 0.21400 0.26364 0.17324 0.07934  -0.02943 0.00628  48  TYR B CE1 
2501 C CE2 . TYR B 52  ? 0.21055 0.26421 0.17436 0.07108  -0.02097 -0.00148 48  TYR B CE2 
2502 C CZ  . TYR B 52  ? 0.18695 0.23426 0.14610 0.07492  -0.02231 0.00457  48  TYR B CZ  
2503 O OH  . TYR B 52  ? 0.20616 0.24474 0.16076 0.07424  -0.01639 0.00887  48  TYR B OH  
2513 N N   . THR B 53  ? 0.21786 0.31196 0.21022 0.07251  -0.04496 -0.02272 49  THR B N   
2514 C CA  . THR B 53  ? 0.21443 0.31639 0.20589 0.07195  -0.04981 -0.02723 49  THR B CA  
2515 C C   . THR B 53  ? 0.21637 0.31574 0.19256 0.07366  -0.05298 -0.02431 49  THR B C   
2516 O O   . THR B 53  ? 0.21968 0.31134 0.18514 0.07369  -0.04978 -0.01992 49  THR B O   
2517 C CB  . THR B 53  ? 0.21501 0.32103 0.20939 0.06683  -0.04584 -0.03289 49  THR B CB  
2518 O OG1 . THR B 53  ? 0.20292 0.30253 0.18709 0.06413  -0.04006 -0.03105 49  THR B OG1 
2519 C CG2 . THR B 53  ? 0.17765 0.28685 0.18707 0.06465  -0.04270 -0.03643 49  THR B CG2 
2527 N N   . ASP B 54  ? 0.20576 0.27706 0.13598 0.00108  -0.01836 -0.00921 50  ASP B N   
2528 C CA  . ASP B 54  ? 0.23843 0.30616 0.16416 0.00052  -0.01821 -0.00886 50  ASP B CA  
2529 C C   . ASP B 54  ? 0.21650 0.28270 0.13973 0.00070  -0.01566 -0.00782 50  ASP B C   
2530 O O   . ASP B 54  ? 0.23210 0.29564 0.15207 0.00052  -0.01549 -0.00701 50  ASP B O   
2531 C CB  . ASP B 54  ? 0.29067 0.35741 0.21515 -0.00021 -0.01853 -0.00999 50  ASP B CB  
2532 C CG  . ASP B 54  ? 0.52581 0.59284 0.45149 -0.00058 -0.02131 -0.01077 50  ASP B CG  
2533 O OD1 . ASP B 54  ? 0.37975 0.44776 0.30737 -0.00025 -0.02295 -0.01047 50  ASP B OD1 
2534 O OD2 . ASP B 54  ? 0.68468 0.75088 0.60943 -0.00122 -0.02187 -0.01164 50  ASP B OD2 
2539 N N   . ALA B 55  ? 0.19804 0.26580 0.12273 0.00101  -0.01363 -0.00784 51  ALA B N   
2540 C CA  . ALA B 55  ? 0.25137 0.31776 0.17404 0.00120  -0.01106 -0.00687 51  ALA B CA  
2541 C C   . ALA B 55  ? 0.25797 0.32408 0.18037 0.00170  -0.01083 -0.00546 51  ALA B C   
2542 O O   . ALA B 55  ? 0.21746 0.28099 0.13664 0.00160  -0.00977 -0.00462 51  ALA B O   
2543 C CB  . ALA B 55  ? 0.29407 0.36254 0.21902 0.00146  -0.00919 -0.00707 51  ALA B CB  
2549 N N   A ASN B 56  ? 0.18602 0.25475 0.11176 0.00222  -0.01173 -0.00516 52  ASN B N   
2550 N N   B ASN B 56  ? 0.21838 0.28708 0.14409 0.00220  -0.01186 -0.00520 52  ASN B N   
2551 C CA  A ASN B 56  ? 0.20669 0.27511 0.13216 0.00264  -0.01166 -0.00378 52  ASN B CA  
2552 C CA  B ASN B 56  ? 0.20563 0.27431 0.13143 0.00267  -0.01178 -0.00384 52  ASN B CA  
2553 C C   A ASN B 56  ? 0.24737 0.31318 0.16996 0.00228  -0.01322 -0.00348 52  ASN B C   
2554 C C   B ASN B 56  ? 0.21859 0.28490 0.14185 0.00238  -0.01345 -0.00345 52  ASN B C   
2555 O O   A ASN B 56  ? 0.23331 0.29715 0.15338 0.00232  -0.01233 -0.00236 52  ASN B O   
2556 O O   B ASN B 56  ? 0.27314 0.33821 0.19487 0.00257  -0.01289 -0.00221 52  ASN B O   
2557 C CB  A ASN B 56  ? 0.21062 0.28210 0.14006 0.00320  -0.01258 -0.00359 52  ASN B CB  
2558 C CB  B ASN B 56  ? 0.22782 0.29982 0.15788 0.00319  -0.01260 -0.00385 52  ASN B CB  
2559 C CG  A ASN B 56  ? 0.18493 0.25587 0.11402 0.00354  -0.01318 -0.00228 52  ASN B CG  
2560 C CG  B ASN B 56  ? 0.13687 0.20929 0.06750 0.00372  -0.01209 -0.00237 52  ASN B CG  
2561 O OD1 A ASN B 56  ? 0.23278 0.30243 0.16078 0.00334  -0.01503 -0.00226 52  ASN B OD1 
2562 O OD1 B ASN B 56  ? 0.33694 0.40727 0.26516 0.00369  -0.01223 -0.00143 52  ASN B OD1 
2563 N ND2 A ASN B 56  ? 0.11985 0.19172 0.04988 0.00401  -0.01165 -0.00111 52  ASN B ND2 
2564 N ND2 B ASN B 56  ? 0.15201 0.22705 0.08578 0.00414  -0.01155 -0.00213 52  ASN B ND2 
2577 N N   . LYS B 57  ? 0.27282 0.33855 0.19575 0.00190  -0.01556 -0.00443 53  LYS B N   
2578 C CA  . LYS B 57  ? 0.36668 0.42995 0.28701 0.00149  -0.01725 -0.00406 53  LYS B CA  
2579 C C   . LYS B 57  ? 0.34259 0.40236 0.25818 0.00092  -0.01595 -0.00378 53  LYS B C   
2580 O O   . LYS B 57  ? 0.40684 0.46436 0.31969 0.00074  -0.01612 -0.00285 53  LYS B O   
2581 C CB  . LYS B 57  ? 0.35485 0.41861 0.27654 0.00113  -0.01995 -0.00514 53  LYS B CB  
2582 C CG  . LYS B 57  ? 0.50091 0.56732 0.42670 0.00167  -0.02166 -0.00518 53  LYS B CG  
2583 C CD  . LYS B 57  ? 0.60483 0.67133 0.53183 0.00132  -0.02443 -0.00606 53  LYS B CD  
2584 C CE  . LYS B 57  ? 0.67439 0.74365 0.60501 0.00144  -0.02478 -0.00740 53  LYS B CE  
2585 N NZ  . LYS B 57  ? 0.76515 0.83527 0.69827 0.00139  -0.02748 -0.00805 53  LYS B NZ  
2599 N N   . ALA B 58  ? 0.30074 0.35992 0.21526 0.00061  -0.01458 -0.00456 54  ALA B N   
2600 C CA  . ALA B 58  ? 0.42733 0.48301 0.33729 0.00001  -0.01338 -0.00450 54  ALA B CA  
2601 C C   . ALA B 58  ? 0.33374 0.38828 0.24201 0.00036  -0.01061 -0.00339 54  ALA B C   
2602 O O   . ALA B 58  ? 0.30695 0.35828 0.21119 -0.00010 -0.00958 -0.00313 54  ALA B O   
2603 C CB  . ALA B 58  ? 0.38128 0.43669 0.29082 -0.00046 -0.01296 -0.00579 54  ALA B CB  
2609 N N   . LYS B 59  ? 0.27102 0.32800 0.18223 0.00112  -0.00935 -0.00271 55  LYS B N   
2610 C CA  . LYS B 59  ? 0.24578 0.30181 0.15577 0.00146  -0.00657 -0.00166 55  LYS B CA  
2611 C C   . LYS B 59  ? 0.27729 0.33052 0.18384 0.00127  -0.00639 -0.00060 55  LYS B C   
2612 O O   . LYS B 59  ? 0.33589 0.38650 0.23926 0.00107  -0.00439 -0.00026 55  LYS B O   
2613 C CB  . LYS B 59  ? 0.29228 0.35153 0.20625 0.00226  -0.00566 -0.00096 55  LYS B CB  
2614 C CG  . LYS B 59  ? 0.27015 0.32883 0.18361 0.00267  -0.00277 0.00022  55  LYS B CG  
2615 C CD  . LYS B 59  ? 0.28720 0.34433 0.19900 0.00243  -0.00060 -0.00033 55  LYS B CD  
2616 C CE  . LYS B 59  ? 0.22466 0.28104 0.13607 0.00287  0.00223  0.00095  55  LYS B CE  
2617 N NZ  . LYS B 59  ? 0.26652 0.32167 0.17696 0.00275  0.00449  0.00045  55  LYS B NZ  
2631 N N   . GLY B 60  ? 0.25358 0.30725 0.16071 0.00133  -0.00841 -0.00005 56  GLY B N   
2632 C CA  . GLY B 60  ? 0.30438 0.35520 0.20799 0.00095  -0.00883 0.00076  56  GLY B CA  
2633 C C   . GLY B 60  ? 0.31076 0.36104 0.21369 0.00139  -0.00695 0.00232  56  GLY B C   
2634 O O   . GLY B 60  ? 0.34226 0.39006 0.24208 0.00103  -0.00710 0.00305  56  GLY B O   
2638 N N   . ILE B 61  ? 0.21098 0.26348 0.11675 0.00211  -0.00525 0.00292  57  ILE B N   
2639 C CA  . ILE B 61  ? 0.22822 0.28044 0.13379 0.00256  -0.00340 0.00449  57  ILE B CA  
2640 C C   . ILE B 61  ? 0.22497 0.27903 0.13287 0.00294  -0.00513 0.00544  57  ILE B C   
2641 O O   . ILE B 61  ? 0.24366 0.29960 0.15394 0.00299  -0.00744 0.00481  57  ILE B O   
2642 C CB  . ILE B 61  ? 0.26472 0.31833 0.17230 0.00310  -0.00074 0.00478  57  ILE B CB  
2643 C CG1 . ILE B 61  ? 0.26517 0.32257 0.17738 0.00358  -0.00156 0.00441  57  ILE B CG1 
2644 C CG2 . ILE B 61  ? 0.25661 0.30801 0.16164 0.00270  0.00101  0.00387  57  ILE B CG2 
2645 C CD1 . ILE B 61  ? 0.23201 0.29168 0.14715 0.00419  -0.00182 0.00571  57  ILE B CD1 
2657 N N   . THR B 62  ? 0.21618 0.26966 0.12350 0.00322  -0.00398 0.00695  58  THR B N   
2658 C CA  . THR B 62  ? 0.21837 0.27349 0.12790 0.00362  -0.00527 0.00806  58  THR B CA  
2659 C C   . THR B 62  ? 0.23698 0.29480 0.15007 0.00436  -0.00376 0.00888  58  THR B C   
2660 O O   . THR B 62  ? 0.20594 0.26326 0.11862 0.00457  -0.00115 0.00951  58  THR B O   
2661 C CB  . THR B 62  ? 0.25715 0.30976 0.16362 0.00337  -0.00498 0.00932  58  THR B CB  
2662 O OG1 . THR B 62  ? 0.26299 0.31318 0.16627 0.00261  -0.00669 0.00859  58  THR B OG1 
2663 C CG2 . THR B 62  ? 0.25260 0.30681 0.16137 0.00381  -0.00606 0.01066  58  THR B CG2 
2671 N N   . TRP B 63  ? 0.20668 0.26730 0.12335 0.00472  -0.00539 0.00883  59  TRP B N   
2672 C CA  . TRP B 63  ? 0.20436 0.26756 0.12441 0.00532  -0.00420 0.00962  59  TRP B CA  
2673 C C   . TRP B 63  ? 0.19706 0.25992 0.11705 0.00562  -0.00327 0.01152  59  TRP B C   
2674 O O   . TRP B 63  ? 0.22264 0.28481 0.14193 0.00553  -0.00480 0.01215  59  TRP B O   
2675 C CB  . TRP B 63  ? 0.21320 0.27929 0.13689 0.00554  -0.00626 0.00892  59  TRP B CB  
2676 C CG  . TRP B 63  ? 0.19192 0.25902 0.11658 0.00535  -0.00670 0.00721  59  TRP B CG  
2677 C CD1 . TRP B 63  ? 0.18154 0.24924 0.10701 0.00512  -0.00904 0.00587  59  TRP B CD1 
2678 C CD2 . TRP B 63  ? 0.17916 0.24681 0.10428 0.00536  -0.00477 0.00666  59  TRP B CD2 
2679 N NE1 . TRP B 63  ? 0.16461 0.23325 0.09096 0.00498  -0.00869 0.00454  59  TRP B NE1 
2680 C CE2 . TRP B 63  ? 0.17122 0.23986 0.09736 0.00511  -0.00610 0.00498  59  TRP B CE2 
2681 C CE3 . TRP B 63  ? 0.17363 0.24102 0.09857 0.00555  -0.00204 0.00746  59  TRP B CE3 
2682 C CZ2 . TRP B 63  ? 0.19635 0.26570 0.12316 0.00501  -0.00485 0.00408  59  TRP B CZ2 
2683 C CZ3 . TRP B 63  ? 0.18613 0.25425 0.11190 0.00548  -0.00083 0.00657  59  TRP B CZ3 
2684 C CH2 . TRP B 63  ? 0.16891 0.23793 0.09545 0.00518  -0.00224 0.00490  59  TRP B CH2 
2695 N N   . ASN B 64  ? 0.20751 0.27084 0.12838 0.00597  -0.00078 0.01249  60  ASN B N   
2696 C CA  . ASN B 64  ? 0.22507 0.28872 0.14685 0.00633  0.00022  0.01440  60  ASN B CA  
2697 C C   . ASN B 64  ? 0.21620 0.28131 0.14029 0.00673  0.00258  0.01509  60  ASN B C   
2698 O O   . ASN B 64  ? 0.18993 0.25617 0.11529 0.00673  0.00304  0.01407  60  ASN B O   
2699 C CB  . ASN B 64  ? 0.17746 0.23807 0.09561 0.00607  0.00102  0.01524  60  ASN B CB  
2700 C CG  . ASN B 64  ? 0.22190 0.28018 0.13735 0.00588  0.00355  0.01492  60  ASN B CG  
2701 O OD1 . ASN B 64  ? 0.22914 0.28818 0.14580 0.00604  0.00505  0.01441  60  ASN B OD1 
2702 N ND2 . ASN B 64  ? 0.25884 0.31416 0.17062 0.00550  0.00409  0.01526  60  ASN B ND2 
2709 N N   . GLU B 65  ? 0.18570 0.18921 0.13976 0.03718  0.00763  0.00932  61  GLU B N   
2710 C CA  . GLU B 65  ? 0.17236 0.17938 0.12992 0.04272  0.01097  0.01346  61  GLU B CA  
2711 C C   . GLU B 65  ? 0.18639 0.18614 0.14180 0.04424  0.01856  0.01471  61  GLU B C   
2712 O O   . GLU B 65  ? 0.19275 0.19364 0.14922 0.04829  0.02080  0.01722  61  GLU B O   
2713 C CB  . GLU B 65  ? 0.24757 0.25956 0.20917 0.04423  0.01065  0.01552  61  GLU B CB  
2714 C CG  . GLU B 65  ? 0.27307 0.29337 0.23761 0.04368  0.00317  0.01497  61  GLU B CG  
2715 C CD  . GLU B 65  ? 0.36592 0.38466 0.32877 0.03837  -0.00021 0.01181  61  GLU B CD  
2716 O OE1 . GLU B 65  ? 0.26404 0.27565 0.22246 0.03419  0.00087  0.00882  61  GLU B OE1 
2717 O OE2 . GLU B 65  ? 0.37370 0.39858 0.33975 0.03838  -0.00412 0.01233  61  GLU B OE2 
2724 N N   . ASP B 66  ? 0.21991 0.21217 0.17238 0.04111  0.02265  0.01309  62  ASP B N   
2725 C CA  . ASP B 66  ? 0.22737 0.21266 0.17816 0.04254  0.03019  0.01436  62  ASP B CA  
2726 C C   . ASP B 66  ? 0.23311 0.21378 0.18054 0.04228  0.03167  0.01330  62  ASP B C   
2727 O O   . ASP B 66  ? 0.20737 0.18621 0.15503 0.04576  0.03611  0.01571  62  ASP B O   
2728 C CB  . ASP B 66  ? 0.19285 0.17147 0.14119 0.03876  0.03365  0.01242  62  ASP B CB  
2729 C CG  . ASP B 66  ? 0.31085 0.29293 0.26242 0.03947  0.03402  0.01392  62  ASP B CG  
2730 O OD1 . ASP B 66  ? 0.30339 0.29065 0.25899 0.04400  0.03492  0.01731  62  ASP B OD1 
2731 O OD2 . ASP B 66  ? 0.30743 0.28671 0.25733 0.03540  0.03366  0.01163  62  ASP B OD2 
2736 N N   . THR B 67  ? 0.18922 0.16757 0.13338 0.03804  0.02821  0.00962  63  THR B N   
2737 C CA  . THR B 67  ? 0.19301 0.16651 0.13371 0.03729  0.02975  0.00821  63  THR B CA  
2738 C C   . THR B 67  ? 0.18793 0.16748 0.13045 0.04059  0.02653  0.00975  63  THR B C   
2739 O O   . THR B 67  ? 0.21178 0.18855 0.15296 0.04247  0.02975  0.01072  63  THR B O   
2740 C CB  . THR B 67  ? 0.20850 0.17756 0.14512 0.03166  0.02709  0.00362  63  THR B CB  
2741 O OG1 . THR B 67  ? 0.20128 0.17641 0.13925 0.02977  0.01979  0.00199  63  THR B OG1 
2742 C CG2 . THR B 67  ? 0.23048 0.19193 0.16449 0.02850  0.03164  0.00211  63  THR B CG2 
2750 N N   . LEU B 68  ? 0.19874 0.18657 0.14430 0.04133  0.02025  0.01000  64  LEU B N   
2751 C CA  . LEU B 68  ? 0.19820 0.19260 0.14608 0.04501  0.01736  0.01192  64  LEU B CA  
2752 C C   . LEU B 68  ? 0.23359 0.22918 0.18398 0.05042  0.02220  0.01636  64  LEU B C   
2753 O O   . LEU B 68  ? 0.21361 0.21004 0.16391 0.05321  0.02317  0.01789  64  LEU B O   
2754 C CB  . LEU B 68  ? 0.21216 0.21546 0.16331 0.04502  0.00998  0.01159  64  LEU B CB  
2755 C CG  . LEU B 68  ? 0.20306 0.20657 0.15201 0.04040  0.00404  0.00737  64  LEU B CG  
2756 C CD1 . LEU B 68  ? 0.18332 0.19519 0.13582 0.04050  -0.00259 0.00736  64  LEU B CD1 
2757 C CD2 . LEU B 68  ? 0.20230 0.20560 0.14929 0.04055  0.00263  0.00615  64  LEU B CD2 
2769 N N   . PHE B 69  ? 0.18804 0.18417 0.14087 0.05207  0.02501  0.01852  65  PHE B N   
2770 C CA  . PHE B 69  ? 0.18689 0.18451 0.14240 0.05738  0.02934  0.02277  65  PHE B CA  
2771 C C   . PHE B 69  ? 0.20814 0.19808 0.16059 0.05824  0.03565  0.02343  65  PHE B C   
2772 O O   . PHE B 69  ? 0.23500 0.22635 0.18855 0.06242  0.03774  0.02637  65  PHE B O   
2773 C CB  . PHE B 69  ? 0.20073 0.19933 0.15900 0.05834  0.03155  0.02439  65  PHE B CB  
2774 C CG  . PHE B 69  ? 0.19812 0.19940 0.15988 0.06406  0.03537  0.02886  65  PHE B CG  
2775 C CD1 . PHE B 69  ? 0.18667 0.19682 0.15258 0.06800  0.03178  0.03141  65  PHE B CD1 
2776 C CD2 . PHE B 69  ? 0.25095 0.24607 0.21203 0.06533  0.04234  0.03034  65  PHE B CD2 
2777 C CE1 . PHE B 69  ? 0.19913 0.21183 0.16827 0.07321  0.03510  0.03542  65  PHE B CE1 
2778 C CE2 . PHE B 69  ? 0.24968 0.24724 0.21398 0.07055  0.04565  0.03433  65  PHE B CE2 
2779 C CZ  . PHE B 69  ? 0.24050 0.24684 0.20881 0.07448  0.04201  0.03686  65  PHE B CZ  
2789 N N   . GLU B 70  ? 0.22201 0.20373 0.17048 0.05425  0.03863  0.02066  66  GLU B N   
2790 C CA  . GLU B 70  ? 0.20438 0.17838 0.14977 0.05469  0.04464  0.02101  66  GLU B CA  
2791 C C   . GLU B 70  ? 0.24215 0.21594 0.18518 0.05408  0.04251  0.01969  66  GLU B C   
2792 O O   . GLU B 70  ? 0.23169 0.20407 0.17432 0.05708  0.04568  0.02185  66  GLU B O   
2793 C CB  . GLU B 70  ? 0.24699 0.21243 0.18904 0.05058  0.04854  0.01838  66  GLU B CB  
2794 C CG  . GLU B 70  ? 0.25697 0.21403 0.19561 0.05050  0.05457  0.01828  66  GLU B CG  
2795 C CD  . GLU B 70  ? 0.38327 0.33205 0.31899 0.04694  0.05891  0.01603  66  GLU B CD  
2796 O OE1 . GLU B 70  ? 0.32401 0.27366 0.26051 0.04480  0.05756  0.01487  66  GLU B OE1 
2797 O OE2 . GLU B 70  ? 0.30395 0.24539 0.23659 0.04628  0.06369  0.01544  66  GLU B OE2 
2804 N N   . TYR B 71  ? 0.21868 0.19379 0.16011 0.05018  0.03716  0.01612  67  TYR B N   
2805 C CA  . TYR B 71  ? 0.20016 0.17565 0.13947 0.04930  0.03455  0.01446  67  TYR B CA  
2806 C C   . TYR B 71  ? 0.23048 0.21283 0.17258 0.05399  0.03280  0.01760  67  TYR B C   
2807 O O   . TYR B 71  ? 0.23183 0.21223 0.17232 0.05539  0.03488  0.01834  67  TYR B O   
2808 C CB  . TYR B 71  ? 0.21273 0.19097 0.15119 0.04510  0.02781  0.01057  67  TYR B CB  
2809 C CG  . TYR B 71  ? 0.21022 0.18961 0.14674 0.04380  0.02422  0.00835  67  TYR B CG  
2810 C CD1 . TYR B 71  ? 0.19885 0.17130 0.13147 0.04228  0.02787  0.00686  67  TYR B CD1 
2811 C CD2 . TYR B 71  ? 0.21017 0.19748 0.14869 0.04382  0.01710  0.00746  67  TYR B CD2 
2812 C CE1 . TYR B 71  ? 0.20108 0.17460 0.13189 0.04083  0.02455  0.00455  67  TYR B CE1 
2813 C CE2 . TYR B 71  ? 0.19509 0.18352 0.13185 0.04248  0.01375  0.00518  67  TYR B CE2 
2814 C CZ  . TYR B 71  ? 0.20193 0.18348 0.13484 0.04098  0.01752  0.00373  67  TYR B CZ  
2815 O OH  . TYR B 71  ? 0.23046 0.21295 0.16157 0.03953  0.01444  0.00133  67  TYR B OH  
2825 N N   . LEU B 72  ? 0.21282 0.20347 0.15905 0.05630  0.02866  0.01933  68  LEU B N   
2826 C CA  . LEU B 72  ? 0.20966 0.20769 0.15848 0.06030  0.02580  0.02176  68  LEU B CA  
2827 C C   . LEU B 72  ? 0.22677 0.22377 0.17671 0.06523  0.03130  0.02604  68  LEU B C   
2828 O O   . LEU B 72  ? 0.22513 0.22656 0.17622 0.06845  0.03005  0.02804  68  LEU B O   
2829 C CB  . LEU B 72  ? 0.21174 0.21896 0.16467 0.06128  0.01970  0.02224  68  LEU B CB  
2830 C CG  . LEU B 72  ? 0.21758 0.22676 0.16958 0.05673  0.01337  0.01813  68  LEU B CG  
2831 C CD1 . LEU B 72  ? 0.17767 0.19519 0.13389 0.05758  0.00802  0.01877  68  LEU B CD1 
2832 C CD2 . LEU B 72  ? 0.17257 0.18293 0.12256 0.05561  0.00997  0.01603  68  LEU B CD2 
2844 N N   . GLU B 73  ? 0.22963 0.22087 0.17923 0.06590  0.03732  0.02746  69  GLU B N   
2845 C CA  . GLU B 73  ? 0.27263 0.26168 0.22279 0.07036  0.04298  0.03131  69  GLU B CA  
2846 C C   . GLU B 73  ? 0.29109 0.27462 0.23749 0.06988  0.04585  0.03078  69  GLU B C   
2847 O O   . GLU B 73  ? 0.25312 0.23762 0.20009 0.07378  0.04799  0.03386  69  GLU B O   
2848 C CB  . GLU B 73  ? 0.24155 0.22532 0.19207 0.07079  0.04870  0.03250  69  GLU B CB  
2849 C CG  . GLU B 73  ? 0.26544 0.24978 0.21835 0.07629  0.05321  0.03709  69  GLU B CG  
2850 C CD  . GLU B 73  ? 0.54596 0.52314 0.49588 0.07745  0.05893  0.03825  69  GLU B CD  
2851 O OE1 . GLU B 73  ? 0.39626 0.36590 0.34229 0.07371  0.06142  0.03551  69  GLU B OE1 
2852 O OE2 . GLU B 73  ? 0.64880 0.62783 0.60025 0.08213  0.06097  0.04195  69  GLU B OE2 
2859 N N   . ASN B 74  ? 0.22506 0.20306 0.16763 0.06516  0.04573  0.02692  70  ASN B N   
2860 C CA  . ASN B 74  ? 0.20986 0.18186 0.14863 0.06419  0.04883  0.02605  70  ASN B CA  
2861 C C   . ASN B 74  ? 0.24174 0.21002 0.17701 0.05849  0.04644  0.02109  70  ASN B C   
2862 O O   . ASN B 74  ? 0.26015 0.22100 0.19286 0.05539  0.04995  0.01907  70  ASN B O   
2863 C CB  . ASN B 74  ? 0.25541 0.21940 0.19279 0.06561  0.05669  0.02802  70  ASN B CB  
2864 C CG  . ASN B 74  ? 0.29686 0.25481 0.23059 0.06520  0.06032  0.02770  70  ASN B CG  
2865 O OD1 . ASN B 74  ? 0.32287 0.28027 0.25409 0.06225  0.05767  0.02477  70  ASN B OD1 
2866 N ND2 . ASN B 74  ? 0.40665 0.36001 0.34013 0.06819  0.06645  0.03073  70  ASN B ND2 
2873 N N   . PRO B 75  ? 0.20143 0.17481 0.13660 0.05699  0.04039  0.01894  71  PRO B N   
2874 C CA  . PRO B 75  ? 0.23284 0.20346 0.16506 0.05157  0.03735  0.01408  71  PRO B CA  
2875 C C   . PRO B 75  ? 0.27292 0.23420 0.20059 0.04873  0.04206  0.01191  71  PRO B C   
2876 O O   . PRO B 75  ? 0.25482 0.21071 0.18016 0.04464  0.04283  0.00880  71  PRO B O   
2877 C CB  . PRO B 75  ? 0.22553 0.20399 0.15891 0.05164  0.03040  0.01294  71  PRO B CB  
2878 C CG  . PRO B 75  ? 0.19147 0.17803 0.12942 0.05642  0.02857  0.01686  71  PRO B CG  
2879 C CD  . PRO B 75  ? 0.22921 0.21213 0.16765 0.06017  0.03534  0.02081  71  PRO B CD  
2887 N N   . LYS B 76  ? 0.26952 0.22850 0.19582 0.05078  0.04546  0.01352  72  LYS B N   
2888 C CA  . LYS B 76  ? 0.29417 0.24447 0.21612 0.04788  0.04964  0.01123  72  LYS B CA  
2889 C C   . LYS B 76  ? 0.29419 0.23639 0.21489 0.04739  0.05625  0.01184  72  LYS B C   
2890 O O   . LYS B 76  ? 0.27409 0.20886 0.19123 0.04385  0.05903  0.00900  72  LYS B O   
2891 C CB  . LYS B 76  ? 0.35736 0.30724 0.27801 0.04996  0.05148  0.01268  72  LYS B CB  
2892 C CG  . LYS B 76  ? 0.33579 0.28291 0.25715 0.05429  0.05768  0.01715  72  LYS B CG  
2893 C CD  . LYS B 76  ? 0.48629 0.43331 0.40612 0.05592  0.05886  0.01831  72  LYS B CD  
2894 C CE  . LYS B 76  ? 0.64807 0.59589 0.56976 0.06129  0.06284  0.02347  72  LYS B CE  
2895 N NZ  . LYS B 76  ? 0.79006 0.73770 0.71004 0.06273  0.06397  0.02462  72  LYS B NZ  
2909 N N   . LYS B 77  ? 0.27784 0.22126 0.20140 0.05086  0.05889  0.01540  73  LYS B N   
2910 C CA  . LYS B 77  ? 0.31160 0.24777 0.23422 0.05013  0.06472  0.01563  73  LYS B CA  
2911 C C   . LYS B 77  ? 0.25776 0.19236 0.17945 0.04559  0.06245  0.01197  73  LYS B C   
2912 O O   . LYS B 77  ? 0.30577 0.23269 0.22463 0.04259  0.06625  0.00985  73  LYS B O   
2913 C CB  . LYS B 77  ? 0.29907 0.23759 0.22527 0.05492  0.06761  0.02014  73  LYS B CB  
2914 C CG  . LYS B 77  ? 0.32365 0.25545 0.24939 0.05439  0.07337  0.02044  73  LYS B CG  
2915 C CD  . LYS B 77  ? 0.40539 0.34010 0.33489 0.05953  0.07600  0.02501  73  LYS B CD  
2916 C CE  . LYS B 77  ? 0.64149 0.57042 0.57102 0.05918  0.08133  0.02530  73  LYS B CE  
2917 N NZ  . LYS B 77  ? 0.83631 0.76832 0.76966 0.06435  0.08379  0.02971  73  LYS B NZ  
2931 N N   . TYR B 78  ? 0.24322 0.18496 0.16721 0.04500  0.05624  0.01119  74  TYR B N   
2932 C CA  . TYR B 78  ? 0.27793 0.21866 0.20125 0.04088  0.05382  0.00802  74  TYR B CA  
2933 C C   . TYR B 78  ? 0.27236 0.20971 0.19187 0.03592  0.05125  0.00332  74  TYR B C   
2934 O O   . TYR B 78  ? 0.26225 0.19447 0.17944 0.03198  0.05210  0.00038  74  TYR B O   
2935 C CB  . TYR B 78  ? 0.26763 0.21733 0.19477 0.04198  0.04784  0.00885  74  TYR B CB  
2936 C CG  . TYR B 78  ? 0.24006 0.18943 0.16738 0.03870  0.04591  0.00673  74  TYR B CG  
2937 C CD1 . TYR B 78  ? 0.29117 0.23620 0.21869 0.03872  0.05075  0.00768  74  TYR B CD1 
2938 C CD2 . TYR B 78  ? 0.25967 0.21333 0.18707 0.03568  0.03912  0.00387  74  TYR B CD2 
2939 C CE1 . TYR B 78  ? 0.26659 0.21154 0.19423 0.03564  0.04893  0.00579  74  TYR B CE1 
2940 C CE2 . TYR B 78  ? 0.22612 0.17959 0.15363 0.03269  0.03722  0.00208  74  TYR B CE2 
2941 C CZ  . TYR B 78  ? 0.26935 0.21848 0.19691 0.03263  0.04215  0.00306  74  TYR B CZ  
2942 O OH  . TYR B 78  ? 0.28691 0.23605 0.21448 0.02953  0.04013  0.00127  74  TYR B OH  
2952 N N   . ILE B 79  ? 0.24612 0.18642 0.16494 0.03598  0.04796  0.00242  75  ILE B N   
2953 C CA  . ILE B 79  ? 0.23043 0.16803 0.14580 0.03142  0.04520  -0.00214 75  ILE B CA  
2954 C C   . ILE B 79  ? 0.28219 0.21713 0.19547 0.03236  0.04780  -0.00191 75  ILE B C   
2955 O O   . ILE B 79  ? 0.27425 0.21453 0.18821 0.03336  0.04382  -0.00198 75  ILE B O   
2956 C CB  . ILE B 79  ? 0.28250 0.22761 0.19933 0.02990  0.03698  -0.00423 75  ILE B CB  
2957 C CG1 . ILE B 79  ? 0.27520 0.22345 0.19445 0.02944  0.03454  -0.00388 75  ILE B CG1 
2958 C CG2 . ILE B 79  ? 0.29908 0.24118 0.21233 0.02504  0.03403  -0.00919 75  ILE B CG2 
2959 C CD1 . ILE B 79  ? 0.25050 0.20468 0.17062 0.02696  0.02657  -0.00662 75  ILE B CD1 
2971 N N   . PRO B 80  ? 0.26994 0.19676 0.18068 0.03205  0.05441  -0.00166 76  PRO B N   
2972 C CA  . PRO B 80  ? 0.29081 0.21482 0.19950 0.03291  0.05718  -0.00131 76  PRO B CA  
2973 C C   . PRO B 80  ? 0.29233 0.21727 0.19870 0.02935  0.05258  -0.00548 76  PRO B C   
2974 O O   . PRO B 80  ? 0.33132 0.25345 0.23560 0.02499  0.05064  -0.00948 76  PRO B O   
2975 C CB  . PRO B 80  ? 0.34456 0.25877 0.25058 0.03191  0.06464  -0.00139 76  PRO B CB  
2976 C CG  . PRO B 80  ? 0.33518 0.24877 0.24311 0.03256  0.06640  0.00001  76  PRO B CG  
2977 C CD  . PRO B 80  ? 0.28355 0.20316 0.19300 0.03059  0.05961  -0.00198 76  PRO B CD  
2985 N N   . GLY B 81  ? 0.27030 0.19938 0.17706 0.03125  0.05070  -0.00459 77  GLY B N   
2986 C CA  . GLY B 81  ? 0.30509 0.23589 0.21002 0.02831  0.04616  -0.00835 77  GLY B CA  
2987 C C   . GLY B 81  ? 0.28772 0.22749 0.19517 0.02821  0.03824  -0.00940 77  GLY B C   
2988 O O   . GLY B 81  ? 0.32838 0.27042 0.23465 0.02608  0.03401  -0.01246 77  GLY B O   
2992 N N   . THR B 82  ? 0.29881 0.24375 0.20973 0.03032  0.03602  -0.00713 78  THR B N   
2993 C CA  . THR B 82  ? 0.29979 0.25339 0.21329 0.03030  0.02841  -0.00805 78  THR B CA  
2994 C C   . THR B 82  ? 0.30211 0.26170 0.21660 0.03271  0.02568  -0.00708 78  THR B C   
2995 O O   . THR B 82  ? 0.31977 0.27874 0.23438 0.03595  0.02966  -0.00397 78  THR B O   
2996 C CB  . THR B 82  ? 0.33041 0.28883 0.24779 0.03304  0.02732  -0.00495 78  THR B CB  
2997 O OG1 . THR B 82  ? 0.34090 0.30782 0.26084 0.03304  0.01984  -0.00587 78  THR B OG1 
2998 C CG2 . THR B 82  ? 0.27806 0.23793 0.19763 0.03828  0.03160  0.00015  78  THR B CG2 
3006 N N   . LYS B 83  ? 0.25260 0.21784 0.16764 0.03101  0.01886  -0.00989 79  LYS B N   
3007 C CA  A LYS B 83  ? 0.26441 0.23613 0.18064 0.03320  0.01567  -0.00918 79  LYS B CA  
3008 C CA  B LYS B 83  ? 0.25809 0.22983 0.17433 0.03322  0.01567  -0.00916 79  LYS B CA  
3009 C C   . LYS B 83  ? 0.24231 0.22327 0.16309 0.03710  0.01179  -0.00599 79  LYS B C   
3010 O O   . LYS B 83  ? 0.20926 0.19678 0.13147 0.03890  0.00815  -0.00555 79  LYS B O   
3011 C CB  A LYS B 83  ? 0.27444 0.24711 0.18867 0.02939  0.01075  -0.01406 79  LYS B CB  
3012 C CB  B LYS B 83  ? 0.26353 0.23645 0.17787 0.02944  0.01058  -0.01403 79  LYS B CB  
3013 C CG  A LYS B 83  ? 0.24872 0.22508 0.16409 0.02666  0.00414  -0.01710 79  LYS B CG  
3014 C CG  B LYS B 83  ? 0.26904 0.24629 0.18480 0.02697  0.00370  -0.01688 79  LYS B CG  
3015 C CD  A LYS B 83  ? 0.23950 0.21590 0.15263 0.02290  -0.00014 -0.02200 79  LYS B CD  
3016 C CD  B LYS B 83  ? 0.27692 0.25527 0.19081 0.02352  -0.00117 -0.02163 79  LYS B CD  
3017 C CE  A LYS B 83  ? 0.31073 0.29024 0.22478 0.02001  -0.00675 -0.02516 79  LYS B CE  
3018 C CE  B LYS B 83  ? 0.29072 0.27360 0.20612 0.02122  -0.00835 -0.02439 79  LYS B CE  
3019 N NZ  A LYS B 83  ? 0.35719 0.33613 0.26885 0.01620  -0.01074 -0.03019 79  LYS B NZ  
3020 N NZ  B LYS B 83  ? 0.34518 0.32250 0.25929 0.01825  -0.00716 -0.02580 79  LYS B NZ  
3045 N N   . MET B 84  ? 0.21501 0.19672 0.13813 0.03846  0.01255  -0.00379 80  MET B N   
3046 C CA  . MET B 84  ? 0.19731 0.18729 0.12482 0.04262  0.00989  -0.00027 80  MET B CA  
3047 C C   . MET B 84  ? 0.22534 0.21503 0.15360 0.04725  0.01508  0.00430  80  MET B C   
3048 O O   . MET B 84  ? 0.25381 0.23736 0.18116 0.04818  0.02129  0.00632  80  MET B O   
3049 C CB  . MET B 84  ? 0.17963 0.17024 0.10933 0.04247  0.00934  0.00055  80  MET B CB  
3050 C CG  . MET B 84  ? 0.17369 0.17206 0.10804 0.04717  0.00784  0.00470  80  MET B CG  
3051 S SD  . MET B 84  ? 0.19496 0.19621 0.13220 0.04631  0.00488  0.00468  80  MET B SD  
3052 C CE  . MET B 84  ? 0.18849 0.19313 0.12965 0.05216  0.00859  0.01047  80  MET B CE  
3062 N N   . ILE B 85  ? 0.24600 0.24237 0.17594 0.05020  0.01247  0.00593  81  ILE B N   
3063 C CA  . ILE B 85  ? 0.24285 0.23964 0.17341 0.05469  0.01673  0.01024  81  ILE B CA  
3064 C C   . ILE B 85  ? 0.21793 0.22147 0.15299 0.05899  0.01539  0.01415  81  ILE B C   
3065 O O   . ILE B 85  ? 0.25332 0.26546 0.19121 0.06083  0.01009  0.01473  81  ILE B O   
3066 C CB  . ILE B 85  ? 0.25149 0.25138 0.18097 0.05531  0.01495  0.00973  81  ILE B CB  
3067 C CG1 . ILE B 85  ? 0.37164 0.36523 0.29680 0.05079  0.01586  0.00547  81  ILE B CG1 
3068 C CG2 . ILE B 85  ? 0.28935 0.28902 0.21911 0.05985  0.01970  0.01431  81  ILE B CG2 
3069 C CD1 . ILE B 85  ? 0.43570 0.41883 0.35763 0.04928  0.02306  0.00548  81  ILE B CD1 
3081 N N   . PHE B 86  ? 0.23189 0.23161 0.16768 0.06066  0.02025  0.01682  82  PHE B N   
3082 C CA  . PHE B 86  ? 0.28250 0.28799 0.22255 0.06463  0.01950  0.02045  82  PHE B CA  
3083 C C   . PHE B 86  ? 0.24426 0.24337 0.18394 0.06662  0.02674  0.02346  82  PHE B C   
3084 O O   . PHE B 86  ? 0.28128 0.27362 0.21915 0.06378  0.02976  0.02181  82  PHE B O   
3085 C CB  . PHE B 86  ? 0.22035 0.23002 0.16268 0.06257  0.01427  0.01844  82  PHE B CB  
3086 C CG  . PHE B 86  ? 0.20623 0.22214 0.15307 0.06643  0.01323  0.02191  82  PHE B CG  
3087 C CD1 . PHE B 86  ? 0.18239 0.20739 0.13248 0.06986  0.00903  0.02387  82  PHE B CD1 
3088 C CD2 . PHE B 86  ? 0.23386 0.24675 0.18177 0.06665  0.01643  0.02316  82  PHE B CD2 
3089 C CE1 . PHE B 86  ? 0.20074 0.23159 0.15508 0.07349  0.00812  0.02706  82  PHE B CE1 
3090 C CE2 . PHE B 86  ? 0.27187 0.29060 0.22401 0.07023  0.01557  0.02630  82  PHE B CE2 
3091 C CZ  . PHE B 86  ? 0.24365 0.27136 0.19903 0.07369  0.01141  0.02827  82  PHE B CZ  
3101 N N   . ALA B 87  ? 0.24479 0.24594 0.18613 0.07146  0.02952  0.02781  83  ALA B N   
3102 C CA  . ALA B 87  ? 0.28631 0.28084 0.22699 0.07351  0.03675  0.03069  83  ALA B CA  
3103 C C   . ALA B 87  ? 0.25222 0.24634 0.19525 0.07379  0.03786  0.03150  83  ALA B C   
3104 O O   . ALA B 87  ? 0.31370 0.30054 0.25538 0.07348  0.04358  0.03213  83  ALA B O   
3105 C CB  . ALA B 87  ? 0.34205 0.33898 0.28393 0.07873  0.03924  0.03521  83  ALA B CB  
3111 N N   . GLY B 88  ? 0.23132 0.23313 0.17790 0.07440  0.03260  0.03151  84  GLY B N   
3112 C CA  . GLY B 88  ? 0.21976 0.22180 0.16869 0.07442  0.03318  0.03206  84  GLY B CA  
3113 C C   . GLY B 88  ? 0.26028 0.27054 0.21401 0.07911  0.03121  0.03569  84  GLY B C   
3114 O O   . GLY B 88  ? 0.28739 0.30144 0.24244 0.08320  0.03147  0.03873  84  GLY B O   
3118 N N   . LEU B 89  ? 0.23370 0.24692 0.19005 0.07845  0.02908  0.03529  85  LEU B N   
3119 C CA  . LEU B 89  ? 0.21662 0.23705 0.17769 0.08267  0.02773  0.03860  85  LEU B CA  
3120 C C   . LEU B 89  ? 0.28344 0.29891 0.24513 0.08458  0.03410  0.04104  85  LEU B C   
3121 O O   . LEU B 89  ? 0.27053 0.28218 0.23176 0.08181  0.03554  0.03939  85  LEU B O   
3122 C CB  . LEU B 89  ? 0.25363 0.28029 0.21729 0.08064  0.02159  0.03661  85  LEU B CB  
3123 C CG  . LEU B 89  ? 0.35693 0.39040 0.32124 0.07932  0.01435  0.03448  85  LEU B CG  
3124 C CD1 . LEU B 89  ? 0.30019 0.33743 0.26641 0.07648  0.00936  0.03215  85  LEU B CD1 
3125 C CD2 . LEU B 89  ? 0.33110 0.37237 0.29848 0.08435  0.01242  0.03778  85  LEU B CD2 
3137 N N   . LYS B 90  ? 0.36062 0.37626 0.32344 0.08933  0.03784  0.04497  86  LYS B N   
3138 C CA  . LYS B 90  ? 0.32573 0.33584 0.28880 0.09111  0.04429  0.04715  86  LYS B CA  
3139 C C   . LYS B 90  ? 0.30929 0.32432 0.27670 0.09300  0.04338  0.04867  86  LYS B C   
3140 O O   . LYS B 90  ? 0.32252 0.33280 0.28993 0.09240  0.04752  0.04877  86  LYS B O   
3141 C CB  . LYS B 90  ? 0.35748 0.36521 0.31994 0.09541  0.04892  0.05077  86  LYS B CB  
3142 C CG  . LYS B 90  ? 0.38101 0.38414 0.33922 0.09364  0.04987  0.04940  86  LYS B CG  
3143 C CD  . LYS B 90  ? 0.56379 0.55848 0.51787 0.08812  0.05187  0.04538  86  LYS B CD  
3144 C CE  . LYS B 90  ? 0.57675 0.56739 0.52678 0.08634  0.05255  0.04389  86  LYS B CE  
3145 N NZ  . LYS B 90  ? 0.47418 0.45575 0.42006 0.08150  0.05555  0.04039  86  LYS B NZ  
3159 N N   . LYS B 91  ? 0.26418 0.28863 0.23530 0.09514  0.03807  0.04972  87  LYS B N   
3160 C CA  . LYS B 91  ? 0.25228 0.28188 0.22782 0.09754  0.03744  0.05159  87  LYS B CA  
3161 C C   . LYS B 91  ? 0.28265 0.31158 0.25824 0.09303  0.03534  0.04837  87  LYS B C   
3162 O O   . LYS B 91  ? 0.23725 0.26868 0.21202 0.08953  0.03005  0.04533  87  LYS B O   
3163 C CB  . LYS B 91  ? 0.32424 0.36420 0.30364 0.10109  0.03223  0.05355  87  LYS B CB  
3164 C CG  . LYS B 91  ? 0.32989 0.37109 0.30953 0.10599  0.03432  0.05714  87  LYS B CG  
3165 C CD  . LYS B 91  ? 0.42608 0.47789 0.41013 0.10994  0.02954  0.05939  87  LYS B CD  
3166 C CE  . LYS B 91  ? 0.61046 0.66372 0.59490 0.11505  0.03171  0.06321  87  LYS B CE  
3167 N NZ  . LYS B 91  ? 0.73015 0.79261 0.71838 0.11642  0.02743  0.06426  87  LYS B NZ  
3181 N N   . PRO B 92  ? 0.22164 0.28752 0.20641 0.11045  0.02839  0.02880  88  PRO B N   
3182 C CA  . PRO B 92  ? 0.23641 0.30053 0.21537 0.11048  0.03215  0.02821  88  PRO B CA  
3183 C C   . PRO B 92  ? 0.25217 0.32252 0.23238 0.10315  0.03301  0.03046  88  PRO B C   
3184 O O   . PRO B 92  ? 0.23775 0.30281 0.21134 0.10112  0.03442  0.02903  88  PRO B O   
3185 C CB  . PRO B 92  ? 0.25879 0.32978 0.24079 0.11689  0.03627  0.02975  88  PRO B CB  
3186 C CG  . PRO B 92  ? 0.26587 0.33873 0.25312 0.12131  0.03453  0.03008  88  PRO B CG  
3187 C CD  . PRO B 92  ? 0.23179 0.30360 0.22208 0.11683  0.02977  0.03016  88  PRO B CD  
3195 N N   . ASN B 93  ? 0.21829 0.30005 0.20680 0.09919  0.03242  0.03404  89  ASN B N   
3196 C CA  . ASN B 93  ? 0.22637 0.31459 0.21606 0.09250  0.03373  0.03629  89  ASN B CA  
3197 C C   . ASN B 93  ? 0.22461 0.30703 0.21147 0.08557  0.03011  0.03506  89  ASN B C   
3198 O O   . ASN B 93  ? 0.21150 0.29549 0.19651 0.08018  0.03118  0.03582  89  ASN B O   
3199 C CB  . ASN B 93  ? 0.29482 0.39815 0.29424 0.09111  0.03521  0.04074  89  ASN B CB  
3200 C CG  . ASN B 93  ? 0.29566 0.40461 0.29724 0.09759  0.03922  0.04194  89  ASN B CG  
3201 O OD1 . ASN B 93  ? 0.34096 0.45201 0.33998 0.09825  0.04309  0.04243  89  ASN B OD1 
3202 N ND2 . ASN B 93  ? 0.28624 0.39685 0.29205 0.10276  0.03834  0.04216  89  ASN B ND2 
3206 N N   . GLU B 94  ? 0.20932 0.28515 0.19588 0.08559  0.02590  0.03320  90  GLU B N   
3207 C CA  . GLU B 94  ? 0.22301 0.29073 0.20517 0.07986  0.02248  0.03121  90  GLU B CA  
3208 C C   . GLU B 94  ? 0.21098 0.26674 0.18298 0.08107  0.02348  0.02766  90  GLU B C   
3209 O O   . GLU B 94  ? 0.21016 0.26277 0.17818 0.07565  0.02321  0.02709  90  GLU B O   
3210 C CB  . GLU B 94  ? 0.20356 0.26737 0.18806 0.07972  0.01777  0.03012  90  GLU B CB  
3211 C CG  . GLU B 94  ? 0.22569 0.30144 0.22002 0.07607  0.01626  0.03382  90  GLU B CG  
3212 C CD  . GLU B 94  ? 0.31311 0.38500 0.30954 0.07457  0.01138  0.03285  90  GLU B CD  
3213 O OE1 . GLU B 94  ? 0.35374 0.41384 0.34438 0.07691  0.00912  0.02930  90  GLU B OE1 
3214 O OE2 . GLU B 94  ? 0.34864 0.42936 0.35250 0.07086  0.00977  0.03565  90  GLU B OE2 
3221 N N   . ARG B 95  ? 0.21604 0.26530 0.18378 0.08812  0.02481  0.02534  91  ARG B N   
3222 C CA  . ARG B 95  ? 0.22092 0.25949 0.17904 0.08956  0.02620  0.02215  91  ARG B CA  
3223 C C   . ARG B 95  ? 0.24458 0.28840 0.20127 0.08751  0.03036  0.02379  91  ARG B C   
3224 O O   . ARG B 95  ? 0.22474 0.26238 0.17505 0.08409  0.03063  0.02226  91  ARG B O   
3225 C CB  . ARG B 95  ? 0.22591 0.25738 0.18025 0.09776  0.02702  0.01954  91  ARG B CB  
3226 C CG  . ARG B 95  ? 0.22411 0.24629 0.17675 0.09939  0.02270  0.01675  91  ARG B CG  
3227 C CD  . ARG B 95  ? 0.22909 0.24465 0.17822 0.10754  0.02365  0.01427  91  ARG B CD  
3228 N NE  . ARG B 95  ? 0.30111 0.32563 0.25785 0.11203  0.02466  0.01658  91  ARG B NE  
3229 C CZ  . ARG B 95  ? 0.25368 0.27872 0.21006 0.11905  0.02749  0.01624  91  ARG B CZ  
3230 N NH1 . ARG B 95  ? 0.29513 0.31239 0.24382 0.12270  0.02981  0.01367  91  ARG B NH1 
3231 N NH2 . ARG B 95  ? 0.28314 0.31678 0.24705 0.12248  0.02807  0.01855  91  ARG B NH2 
3245 N N   . GLY B 96  ? 0.22459 0.27978 0.18715 0.08957  0.03366  0.02693  92  GLY B N   
3246 C CA  . GLY B 96  ? 0.22712 0.28781 0.18866 0.08775  0.03773  0.02862  92  GLY B CA  
3247 C C   . GLY B 96  ? 0.22303 0.28720 0.18552 0.07934  0.03685  0.03018  92  GLY B C   
3248 O O   . GLY B 96  ? 0.22523 0.28659 0.18243 0.07667  0.03872  0.02958  92  GLY B O   
3252 N N   . ASP B 97  ? 0.21704 0.28755 0.18636 0.07500  0.03405  0.03227  93  ASP B N   
3253 C CA  . ASP B 97  ? 0.21287 0.28688 0.18343 0.06683  0.03306  0.03379  93  ASP B CA  
3254 C C   . ASP B 97  ? 0.21260 0.27404 0.17518 0.06341  0.03047  0.03042  93  ASP B C   
3255 O O   . ASP B 97  ? 0.21290 0.27324 0.17190 0.05872  0.03156  0.03044  93  ASP B O   
3256 C CB  . ASP B 97  ? 0.20649 0.28972 0.18610 0.06312  0.03043  0.03663  93  ASP B CB  
3257 C CG  . ASP B 97  ? 0.20708 0.30421 0.19505 0.06516  0.03321  0.04047  93  ASP B CG  
3258 O OD1 . ASP B 97  ? 0.22889 0.32980 0.21591 0.06786  0.03740  0.04137  93  ASP B OD1 
3259 O OD2 . ASP B 97  ? 0.27522 0.37958 0.27078 0.06404  0.03118  0.04261  93  ASP B OD2 
3264 N N   . LEU B 98  ? 0.21205 0.26391 0.17180 0.06572  0.02705  0.02752  94  LEU B N   
3265 C CA  . LEU B 98  ? 0.21192 0.25128 0.16395 0.06288  0.02447  0.02414  94  LEU B CA  
3266 C C   . LEU B 98  ? 0.21770 0.25004 0.16126 0.06467  0.02745  0.02207  94  LEU B C   
3267 O O   . LEU B 98  ? 0.21745 0.24470 0.15599 0.05986  0.02706  0.02098  94  LEU B O   
3268 C CB  . LEU B 98  ? 0.21120 0.24152 0.16152 0.06633  0.02076  0.02129  94  LEU B CB  
3269 C CG  . LEU B 98  ? 0.21169 0.22788 0.15355 0.06467  0.01804  0.01734  94  LEU B CG  
3270 C CD1 . LEU B 98  ? 0.20695 0.22307 0.14888 0.05629  0.01574  0.01785  94  LEU B CD1 
3271 C CD2 . LEU B 98  ? 0.22022 0.22913 0.16150 0.06885  0.01477  0.01493  94  LEU B CD2 
3283 N N   . ILE B 99  ? 0.22299 0.25490 0.16485 0.07157  0.03047  0.02151  95  ILE B N   
3284 C CA  . ILE B 99  ? 0.22879 0.25374 0.16246 0.07379  0.03333  0.01943  95  ILE B CA  
3285 C C   . ILE B 99  ? 0.22913 0.26062 0.16293 0.06902  0.03637  0.02169  95  ILE B C   
3286 O O   . ILE B 99  ? 0.23877 0.26349 0.16558 0.06685  0.03717  0.01999  95  ILE B O   
3287 C CB  . ILE B 99  ? 0.23416 0.25856 0.16691 0.08223  0.03603  0.01869  95  ILE B CB  
3288 C CG1 . ILE B 99  ? 0.23470 0.24860 0.16423 0.08656  0.03286  0.01534  95  ILE B CG1 
3289 C CG2 . ILE B 99  ? 0.24021 0.26186 0.16647 0.08421  0.04019  0.01783  95  ILE B CG2 
3290 C CD1 . ILE B 99  ? 0.23848 0.25309 0.16919 0.09455  0.03459  0.01495  95  ILE B CD1 
3302 N N   . ALA B 100 ? 0.22696 0.27171 0.16867 0.06742  0.03817  0.02556  96  ALA B N   
3303 C CA  . ALA B 100 ? 0.22690 0.27860 0.16935 0.06257  0.04098  0.02791  96  ALA B CA  
3304 C C   . ALA B 100 ? 0.23166 0.27975 0.17202 0.05476  0.03829  0.02742  96  ALA B C   
3305 O O   . ALA B 100 ? 0.22450 0.27048 0.16025 0.05138  0.03997  0.02714  96  ALA B O   
3306 C CB  . ALA B 100 ? 0.22567 0.29243 0.17767 0.06213  0.04290  0.03217  96  ALA B CB  
3312 N N   . TYR B 101 ? 0.21765 0.26478 0.16125 0.05181  0.03409  0.02727  97  TYR B N   
3313 C CA  . TYR B 101 ? 0.21388 0.25679 0.15520 0.04457  0.03137  0.02654  97  TYR B CA  
3314 C C   . TYR B 101 ? 0.21715 0.24590 0.14841 0.04506  0.03059  0.02257  97  TYR B C   
3315 O O   . TYR B 101 ? 0.23264 0.25866 0.15972 0.04030  0.03119  0.02220  97  TYR B O   
3316 C CB  . TYR B 101 ? 0.20779 0.25190 0.15438 0.04171  0.02691  0.02695  97  TYR B CB  
3317 C CG  . TYR B 101 ? 0.21626 0.25366 0.15936 0.03497  0.02373  0.02547  97  TYR B CG  
3318 C CD1 . TYR B 101 ? 0.20137 0.24469 0.14649 0.02778  0.02425  0.02761  97  TYR B CD1 
3319 C CD2 . TYR B 101 ? 0.20418 0.22917 0.14181 0.03579  0.02030  0.02187  97  TYR B CD2 
3320 C CE1 . TYR B 101 ? 0.19841 0.23536 0.14017 0.02173  0.02146  0.02618  97  TYR B CE1 
3321 C CE2 . TYR B 101 ? 0.20118 0.21988 0.13550 0.02974  0.01748  0.02045  97  TYR B CE2 
3322 C CZ  . TYR B 101 ? 0.22062 0.24527 0.15701 0.02276  0.01807  0.02260  97  TYR B CZ  
3323 O OH  . TYR B 101 ? 0.23362 0.25175 0.16669 0.01673  0.01520  0.02111  97  TYR B OH  
3333 N N   . LEU B 102 ? 0.22485 0.24437 0.15207 0.05077  0.02923  0.01955  98  LEU B N   
3334 C CA  . LEU B 102 ? 0.22294 0.22873 0.14050 0.05148  0.02840  0.01567  98  LEU B CA  
3335 C C   . LEU B 102 ? 0.24967 0.25450 0.16177 0.05200  0.03252  0.01551  98  LEU B C   
3336 O O   . LEU B 102 ? 0.23454 0.23154 0.14002 0.04884  0.03212  0.01361  98  LEU B O   
3337 C CB  . LEU B 102 ? 0.22612 0.22316 0.14046 0.05834  0.02694  0.01265  98  LEU B CB  
3338 C CG  . LEU B 102 ? 0.22095 0.21536 0.13854 0.05788  0.02231  0.01180  98  LEU B CG  
3339 C CD1 . LEU B 102 ? 0.26816 0.25517 0.18299 0.06546  0.02159  0.00913  98  LEU B CD1 
3340 C CD2 . LEU B 102 ? 0.23527 0.22181 0.14912 0.05153  0.01865  0.00997  98  LEU B CD2 
3352 N N   . LYS B 103 ? 0.23144 0.24402 0.14616 0.05606  0.03651  0.01746  99  LYS B N   
3353 C CA  . LYS B 103 ? 0.24971 0.26208 0.15960 0.05693  0.04068  0.01749  99  LYS B CA  
3354 C C   . LYS B 103 ? 0.28656 0.30236 0.19632 0.04933  0.04127  0.01909  99  LYS B C   
3355 O O   . LYS B 103 ? 0.32942 0.33874 0.23216 0.04778  0.04250  0.01752  99  LYS B O   
3356 C CB  . LYS B 103 ? 0.23951 0.26167 0.15398 0.06191  0.04465  0.01991  99  LYS B CB  
3357 C CG  . LYS B 103 ? 0.26746 0.28925 0.17684 0.06403  0.04924  0.01979  99  LYS B CG  
3358 C CD  . LYS B 103 ? 0.27579 0.30788 0.19046 0.06886  0.05297  0.02232  99  LYS B CD  
3359 C CE  . LYS B 103 ? 0.32933 0.36153 0.23931 0.07116  0.05760  0.02232  99  LYS B CE  
3360 N NZ  . LYS B 103 ? 0.46950 0.48860 0.37017 0.07536  0.05760  0.01837  99  LYS B NZ  
3374 N N   . SER B 104 ? 0.23552 0.26125 0.15292 0.04441  0.04029  0.02215  100 SER B N   
3375 C CA  . SER B 104 ? 0.27284 0.30253 0.19077 0.03693  0.04077  0.02385  100 SER B CA  
3376 C C   . SER B 104 ? 0.26245 0.28222 0.17558 0.03188  0.03703  0.02141  100 SER B C   
3377 O O   . SER B 104 ? 0.29989 0.31598 0.20812 0.02781  0.03785  0.02079  100 SER B O   
3378 C CB  . SER B 104 ? 0.34708 0.39051 0.27491 0.03340  0.04073  0.02784  100 SER B CB  
3379 O OG  . SER B 104 ? 0.38450 0.43227 0.31332 0.02604  0.04112  0.02960  100 SER B OG  
3385 N N   . ALA B 105 ? 0.24517 0.26054 0.15968 0.03201  0.03288  0.02001  101 ALA B N   
3386 C CA  . ALA B 105 ? 0.21863 0.22655 0.13025 0.02638  0.02909  0.01825  101 ALA B CA  
3387 C C   . ALA B 105 ? 0.22879 0.22213 0.13058 0.02809  0.02808  0.01413  101 ALA B C   
3388 O O   . ALA B 105 ? 0.30183 0.28878 0.20003 0.02294  0.02577  0.01270  101 ALA B O   
3389 C CB  . ALA B 105 ? 0.22219 0.23146 0.13941 0.02576  0.02502  0.01847  101 ALA B CB  
3395 N N   . THR B 106 ? 0.25311 0.24085 0.15056 0.03508  0.02957  0.01212  102 THR B N   
3396 C CA  . THR B 106 ? 0.26732 0.24110 0.15544 0.03705  0.02857  0.00813  102 THR B CA  
3397 C C   . THR B 106 ? 0.30673 0.27787 0.18848 0.03750  0.03227  0.00759  102 THR B C   
3398 O O   . THR B 106 ? 0.31251 0.27240 0.18625 0.03975  0.03198  0.00436  102 THR B O   
3399 C CB  . THR B 106 ? 0.23644 0.20383 0.12277 0.04440  0.02743  0.00569  102 THR B CB  
3400 O OG1 . THR B 106 ? 0.24941 0.22219 0.13716 0.05045  0.03121  0.00683  102 THR B OG1 
3401 C CG2 . THR B 106 ? 0.26964 0.23931 0.16217 0.04395  0.02363  0.00615  102 THR B CG2 
3409 N N   . LYS B 107 ? 0.39204 0.37326 0.27717 0.03545  0.03574  0.01069  103 LYS B N   
3410 C CA  . LYS B 107 ? 0.47610 0.45593 0.35573 0.03627  0.03963  0.01048  103 LYS B CA  
3411 C C   . LYS B 107 ? 0.72117 0.69338 0.59467 0.03053  0.03848  0.00892  103 LYS B C   
3412 O O   . LYS B 107 ? 0.65473 0.62879 0.53097 0.02411  0.03609  0.00983  103 LYS B O   
3413 C CB  . LYS B 107 ? 0.51161 0.50504 0.39727 0.03530  0.04347  0.01442  103 LYS B CB  
3414 C CG  . LYS B 107 ? 0.78171 0.77585 0.66372 0.04012  0.04809  0.01445  103 LYS B CG  
3415 C CD  . LYS B 107 ? 0.78427 0.79259 0.67348 0.04021  0.05160  0.01841  103 LYS B CD  
3416 C CE  . LYS B 107 ? 0.77920 0.79355 0.67486 0.04544  0.05138  0.01952  103 LYS B CE  
3417 N NZ  . LYS B 107 ? 0.95004 0.97861 0.85331 0.04519  0.05449  0.02350  103 LYS B NZ  
3418 O OXT . LYS B 107 ? 0.75979 0.72378 0.62548 0.03220  0.03991  0.00670  103 LYS B OXT 
# 
