data_8Y28
# 
_entry.id   8Y28 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8Y28         pdb_00008y28 10.2210/pdb8y28/pdb 
WWPDB D_1300040394 ?            ?                   
# 
_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       2025-01-29 
# 
_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                        8Y28 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8XG4 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ssugiyama@kochi-u.ac.jp 
_pdbx_contact_author.name_first         Shigeru 
_pdbx_contact_author.name_last          Sugiyama 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0563-6799 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Higashiura, A.' 1 ? 
'Yamamoto, A.'   2 ? 
'Sugiyama, S.'   3 ? 
# 
_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                     
;Binding competition between substrates and cryoprotectants in protein crystals directly observed by a hybrid method of in-gel crystallization and high-pressure cryo-cooling in X-ray crystallography
;
_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 'Higashiura, A.' 1 ? 
primary 'Sugiyama, S.'   2 ? 
# 
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 Streptavidin         12764.833 4   ? ? ? ? 
2 non-polymer nat GLYCEROL             92.094    4   ? ? ? ? 
3 non-polymer nat 'DIMETHYL SULFOXIDE' 78.133    2   ? ? ? ? 
4 water       nat water                18.015    540 ? ? ? ? 
# 
_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       
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_entity_poly.pdbx_strand_id                 A,B,C,D 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL             GOL 
3 'DIMETHYL SULFOXIDE' DMS 
4 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   GLY n 
1 3   ILE n 
1 4   THR n 
1 5   GLY n 
1 6   THR n 
1 7   TRP n 
1 8   TYR n 
1 9   ASN n 
1 10  GLN n 
1 11  LEU n 
1 12  GLY n 
1 13  SER n 
1 14  THR n 
1 15  PHE n 
1 16  ILE n 
1 17  VAL n 
1 18  THR n 
1 19  ALA n 
1 20  GLY n 
1 21  ALA n 
1 22  ASP n 
1 23  GLY n 
1 24  ALA n 
1 25  LEU n 
1 26  THR n 
1 27  GLY n 
1 28  THR n 
1 29  TYR n 
1 30  GLU n 
1 31  SER n 
1 32  ALA n 
1 33  VAL n 
1 34  GLY n 
1 35  ASN n 
1 36  ALA n 
1 37  GLU n 
1 38  SER n 
1 39  ARG n 
1 40  TYR n 
1 41  VAL n 
1 42  LEU n 
1 43  THR n 
1 44  GLY n 
1 45  ARG n 
1 46  TYR n 
1 47  ASP n 
1 48  SER n 
1 49  ALA n 
1 50  PRO n 
1 51  ALA n 
1 52  THR n 
1 53  ASP n 
1 54  GLY n 
1 55  SER n 
1 56  GLY n 
1 57  THR n 
1 58  ALA n 
1 59  LEU n 
1 60  GLY n 
1 61  TRP n 
1 62  THR n 
1 63  VAL n 
1 64  ALA n 
1 65  TRP n 
1 66  LYS n 
1 67  ASN n 
1 68  ASN n 
1 69  TYR n 
1 70  ARG n 
1 71  ASN n 
1 72  ALA n 
1 73  HIS n 
1 74  SER n 
1 75  ALA n 
1 76  THR n 
1 77  THR n 
1 78  TRP n 
1 79  SER n 
1 80  GLY n 
1 81  GLN n 
1 82  TYR n 
1 83  VAL n 
1 84  GLY n 
1 85  GLY n 
1 86  ALA n 
1 87  GLU n 
1 88  ALA n 
1 89  ARG n 
1 90  ILE n 
1 91  ASN n 
1 92  THR n 
1 93  GLN n 
1 94  TRP n 
1 95  LEU n 
1 96  LEU n 
1 97  THR n 
1 98  SER n 
1 99  GLY n 
1 100 THR n 
1 101 THR n 
1 102 GLU n 
1 103 ALA n 
1 104 ASN n 
1 105 ALA n 
1 106 TRP n 
1 107 LYS n 
1 108 SER n 
1 109 THR n 
1 110 LEU n 
1 111 VAL n 
1 112 GLY n 
1 113 HIS n 
1 114 ASP n 
1 115 THR n 
1 116 PHE n 
1 117 THR n 
1 118 LYS n 
1 119 VAL n 
1 120 LYS n 
1 121 PRO 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           121 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Streptomyces avidinii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      1895 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_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                 ? 
_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 
DMS non-polymer         . 'DIMETHYL SULFOXIDE' ?                               'C2 H6 O S'      78.133  
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  
GOL non-polymer         . GLYCEROL             'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
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   ALA 1   15  ?   ?   ?   A . n 
A 1 2   GLY 2   16  16  GLY GLY A . n 
A 1 3   ILE 3   17  17  ILE ILE A . n 
A 1 4   THR 4   18  18  THR THR A . n 
A 1 5   GLY 5   19  19  GLY GLY A . n 
A 1 6   THR 6   20  20  THR THR A . n 
A 1 7   TRP 7   21  21  TRP TRP A . n 
A 1 8   TYR 8   22  22  TYR TYR A . n 
A 1 9   ASN 9   23  23  ASN ASN A . n 
A 1 10  GLN 10  24  24  GLN GLN A . n 
A 1 11  LEU 11  25  25  LEU LEU A . n 
A 1 12  GLY 12  26  26  GLY GLY A . n 
A 1 13  SER 13  27  27  SER SER A . n 
A 1 14  THR 14  28  28  THR THR A . n 
A 1 15  PHE 15  29  29  PHE PHE A . n 
A 1 16  ILE 16  30  30  ILE ILE A . n 
A 1 17  VAL 17  31  31  VAL VAL A . n 
A 1 18  THR 18  32  32  THR THR A . n 
A 1 19  ALA 19  33  33  ALA ALA A . n 
A 1 20  GLY 20  34  34  GLY GLY A . n 
A 1 21  ALA 21  35  35  ALA ALA A . n 
A 1 22  ASP 22  36  36  ASP ASP A . n 
A 1 23  GLY 23  37  37  GLY GLY A . n 
A 1 24  ALA 24  38  38  ALA ALA A . n 
A 1 25  LEU 25  39  39  LEU LEU A . n 
A 1 26  THR 26  40  40  THR THR A . n 
A 1 27  GLY 27  41  41  GLY GLY A . n 
A 1 28  THR 28  42  42  THR THR A . n 
A 1 29  TYR 29  43  43  TYR TYR A . n 
A 1 30  GLU 30  44  44  GLU GLU A . n 
A 1 31  SER 31  45  45  SER SER A . n 
A 1 32  ALA 32  46  46  ALA ALA A . n 
A 1 33  VAL 33  47  47  VAL VAL A . n 
A 1 34  GLY 34  48  48  GLY GLY A . n 
A 1 35  ASN 35  49  49  ASN ASN A . n 
A 1 36  ALA 36  50  50  ALA ALA A . n 
A 1 37  GLU 37  51  51  GLU GLU A . n 
A 1 38  SER 38  52  52  SER SER A . n 
A 1 39  ARG 39  53  53  ARG ARG A . n 
A 1 40  TYR 40  54  54  TYR TYR A . n 
A 1 41  VAL 41  55  55  VAL VAL A . n 
A 1 42  LEU 42  56  56  LEU LEU A . n 
A 1 43  THR 43  57  57  THR THR A . n 
A 1 44  GLY 44  58  58  GLY GLY A . n 
A 1 45  ARG 45  59  59  ARG ARG A . n 
A 1 46  TYR 46  60  60  TYR TYR A . n 
A 1 47  ASP 47  61  61  ASP ASP A . n 
A 1 48  SER 48  62  62  SER SER A . n 
A 1 49  ALA 49  63  63  ALA ALA A . n 
A 1 50  PRO 50  64  64  PRO PRO A . n 
A 1 51  ALA 51  65  65  ALA ALA A . n 
A 1 52  THR 52  66  66  THR THR A . n 
A 1 53  ASP 53  67  67  ASP ASP A . n 
A 1 54  GLY 54  68  68  GLY GLY A . n 
A 1 55  SER 55  69  69  SER SER A . n 
A 1 56  GLY 56  70  70  GLY GLY A . n 
A 1 57  THR 57  71  71  THR THR A . n 
A 1 58  ALA 58  72  72  ALA ALA A . n 
A 1 59  LEU 59  73  73  LEU LEU A . n 
A 1 60  GLY 60  74  74  GLY GLY A . n 
A 1 61  TRP 61  75  75  TRP TRP A . n 
A 1 62  THR 62  76  76  THR THR A . n 
A 1 63  VAL 63  77  77  VAL VAL A . n 
A 1 64  ALA 64  78  78  ALA ALA A . n 
A 1 65  TRP 65  79  79  TRP TRP A . n 
A 1 66  LYS 66  80  80  LYS LYS A . n 
A 1 67  ASN 67  81  81  ASN ASN A . n 
A 1 68  ASN 68  82  82  ASN ASN A . n 
A 1 69  TYR 69  83  83  TYR TYR A . n 
A 1 70  ARG 70  84  84  ARG ARG A . n 
A 1 71  ASN 71  85  85  ASN ASN A . n 
A 1 72  ALA 72  86  86  ALA ALA A . n 
A 1 73  HIS 73  87  87  HIS HIS A . n 
A 1 74  SER 74  88  88  SER SER A . n 
A 1 75  ALA 75  89  89  ALA ALA A . n 
A 1 76  THR 76  90  90  THR THR A . n 
A 1 77  THR 77  91  91  THR THR A . n 
A 1 78  TRP 78  92  92  TRP TRP A . n 
A 1 79  SER 79  93  93  SER SER A . n 
A 1 80  GLY 80  94  94  GLY GLY A . n 
A 1 81  GLN 81  95  95  GLN GLN A . n 
A 1 82  TYR 82  96  96  TYR TYR A . n 
A 1 83  VAL 83  97  97  VAL VAL A . n 
A 1 84  GLY 84  98  98  GLY GLY A . n 
A 1 85  GLY 85  99  99  GLY GLY A . n 
A 1 86  ALA 86  100 100 ALA ALA A . n 
A 1 87  GLU 87  101 101 GLU GLU A . n 
A 1 88  ALA 88  102 102 ALA ALA A . n 
A 1 89  ARG 89  103 103 ARG ARG A . n 
A 1 90  ILE 90  104 104 ILE ILE A . n 
A 1 91  ASN 91  105 105 ASN ASN A . n 
A 1 92  THR 92  106 106 THR THR A . n 
A 1 93  GLN 93  107 107 GLN GLN A . n 
A 1 94  TRP 94  108 108 TRP TRP A . n 
A 1 95  LEU 95  109 109 LEU LEU A . n 
A 1 96  LEU 96  110 110 LEU LEU A . n 
A 1 97  THR 97  111 111 THR THR A . n 
A 1 98  SER 98  112 112 SER SER A . n 
A 1 99  GLY 99  113 113 GLY GLY A . n 
A 1 100 THR 100 114 114 THR THR A . n 
A 1 101 THR 101 115 115 THR THR A . n 
A 1 102 GLU 102 116 116 GLU GLU A . n 
A 1 103 ALA 103 117 117 ALA ALA A . n 
A 1 104 ASN 104 118 118 ASN ASN A . n 
A 1 105 ALA 105 119 119 ALA ALA A . n 
A 1 106 TRP 106 120 120 TRP TRP A . n 
A 1 107 LYS 107 121 121 LYS LYS A . n 
A 1 108 SER 108 122 122 SER SER A . n 
A 1 109 THR 109 123 123 THR THR A . n 
A 1 110 LEU 110 124 124 LEU LEU A . n 
A 1 111 VAL 111 125 125 VAL VAL A . n 
A 1 112 GLY 112 126 126 GLY GLY A . n 
A 1 113 HIS 113 127 127 HIS HIS A . n 
A 1 114 ASP 114 128 128 ASP ASP A . n 
A 1 115 THR 115 129 129 THR THR A . n 
A 1 116 PHE 116 130 130 PHE PHE A . n 
A 1 117 THR 117 131 131 THR THR A . n 
A 1 118 LYS 118 132 132 LYS LYS A . n 
A 1 119 VAL 119 133 133 VAL VAL A . n 
A 1 120 LYS 120 134 134 LYS LYS A . n 
A 1 121 PRO 121 135 135 PRO PRO A . n 
B 1 1   ALA 1   15  ?   ?   ?   B . n 
B 1 2   GLY 2   16  16  GLY GLY B . n 
B 1 3   ILE 3   17  17  ILE ILE B . n 
B 1 4   THR 4   18  18  THR THR B . n 
B 1 5   GLY 5   19  19  GLY GLY B . n 
B 1 6   THR 6   20  20  THR THR B . n 
B 1 7   TRP 7   21  21  TRP TRP B . n 
B 1 8   TYR 8   22  22  TYR TYR B . n 
B 1 9   ASN 9   23  23  ASN ASN B . n 
B 1 10  GLN 10  24  24  GLN GLN B . n 
B 1 11  LEU 11  25  25  LEU LEU B . n 
B 1 12  GLY 12  26  26  GLY GLY B . n 
B 1 13  SER 13  27  27  SER SER B . n 
B 1 14  THR 14  28  28  THR THR B . n 
B 1 15  PHE 15  29  29  PHE PHE B . n 
B 1 16  ILE 16  30  30  ILE ILE B . n 
B 1 17  VAL 17  31  31  VAL VAL B . n 
B 1 18  THR 18  32  32  THR THR B . n 
B 1 19  ALA 19  33  33  ALA ALA B . n 
B 1 20  GLY 20  34  34  GLY GLY B . n 
B 1 21  ALA 21  35  35  ALA ALA B . n 
B 1 22  ASP 22  36  36  ASP ASP B . n 
B 1 23  GLY 23  37  37  GLY GLY B . n 
B 1 24  ALA 24  38  38  ALA ALA B . n 
B 1 25  LEU 25  39  39  LEU LEU B . n 
B 1 26  THR 26  40  40  THR THR B . n 
B 1 27  GLY 27  41  41  GLY GLY B . n 
B 1 28  THR 28  42  42  THR THR B . n 
B 1 29  TYR 29  43  43  TYR TYR B . n 
B 1 30  GLU 30  44  44  GLU GLU B . n 
B 1 31  SER 31  45  45  SER SER B . n 
B 1 32  ALA 32  46  46  ALA ALA B . n 
B 1 33  VAL 33  47  ?   ?   ?   B . n 
B 1 34  GLY 34  48  ?   ?   ?   B . n 
B 1 35  ASN 35  49  49  ASN ASN B . n 
B 1 36  ALA 36  50  50  ALA ALA B . n 
B 1 37  GLU 37  51  51  GLU GLU B . n 
B 1 38  SER 38  52  52  SER SER B . n 
B 1 39  ARG 39  53  53  ARG ARG B . n 
B 1 40  TYR 40  54  54  TYR TYR B . n 
B 1 41  VAL 41  55  55  VAL VAL B . n 
B 1 42  LEU 42  56  56  LEU LEU B . n 
B 1 43  THR 43  57  57  THR THR B . n 
B 1 44  GLY 44  58  58  GLY GLY B . n 
B 1 45  ARG 45  59  59  ARG ARG B . n 
B 1 46  TYR 46  60  60  TYR TYR B . n 
B 1 47  ASP 47  61  61  ASP ASP B . n 
B 1 48  SER 48  62  62  SER SER B . n 
B 1 49  ALA 49  63  63  ALA ALA B . n 
B 1 50  PRO 50  64  64  PRO PRO B . n 
B 1 51  ALA 51  65  65  ALA ALA B . n 
B 1 52  THR 52  66  66  THR THR B . n 
B 1 53  ASP 53  67  67  ASP ASP B . n 
B 1 54  GLY 54  68  68  GLY GLY B . n 
B 1 55  SER 55  69  69  SER SER B . n 
B 1 56  GLY 56  70  70  GLY GLY B . n 
B 1 57  THR 57  71  71  THR THR B . n 
B 1 58  ALA 58  72  72  ALA ALA B . n 
B 1 59  LEU 59  73  73  LEU LEU B . n 
B 1 60  GLY 60  74  74  GLY GLY B . n 
B 1 61  TRP 61  75  75  TRP TRP B . n 
B 1 62  THR 62  76  76  THR THR B . n 
B 1 63  VAL 63  77  77  VAL VAL B . n 
B 1 64  ALA 64  78  78  ALA ALA B . n 
B 1 65  TRP 65  79  79  TRP TRP B . n 
B 1 66  LYS 66  80  80  LYS LYS B . n 
B 1 67  ASN 67  81  81  ASN ASN B . n 
B 1 68  ASN 68  82  82  ASN ASN B . n 
B 1 69  TYR 69  83  83  TYR TYR B . n 
B 1 70  ARG 70  84  84  ARG ARG B . n 
B 1 71  ASN 71  85  85  ASN ASN B . n 
B 1 72  ALA 72  86  86  ALA ALA B . n 
B 1 73  HIS 73  87  87  HIS HIS B . n 
B 1 74  SER 74  88  88  SER SER B . n 
B 1 75  ALA 75  89  89  ALA ALA B . n 
B 1 76  THR 76  90  90  THR THR B . n 
B 1 77  THR 77  91  91  THR THR B . n 
B 1 78  TRP 78  92  92  TRP TRP B . n 
B 1 79  SER 79  93  93  SER SER B . n 
B 1 80  GLY 80  94  94  GLY GLY B . n 
B 1 81  GLN 81  95  95  GLN GLN B . n 
B 1 82  TYR 82  96  96  TYR TYR B . n 
B 1 83  VAL 83  97  97  VAL VAL B . n 
B 1 84  GLY 84  98  98  GLY GLY B . n 
B 1 85  GLY 85  99  99  GLY GLY B . n 
B 1 86  ALA 86  100 100 ALA ALA B . n 
B 1 87  GLU 87  101 101 GLU GLU B . n 
B 1 88  ALA 88  102 102 ALA ALA B . n 
B 1 89  ARG 89  103 103 ARG ARG B . n 
B 1 90  ILE 90  104 104 ILE ILE B . n 
B 1 91  ASN 91  105 105 ASN ASN B . n 
B 1 92  THR 92  106 106 THR THR B . n 
B 1 93  GLN 93  107 107 GLN GLN B . n 
B 1 94  TRP 94  108 108 TRP TRP B . n 
B 1 95  LEU 95  109 109 LEU LEU B . n 
B 1 96  LEU 96  110 110 LEU LEU B . n 
B 1 97  THR 97  111 111 THR THR B . n 
B 1 98  SER 98  112 112 SER SER B . n 
B 1 99  GLY 99  113 113 GLY GLY B . n 
B 1 100 THR 100 114 114 THR THR B . n 
B 1 101 THR 101 115 115 THR THR B . n 
B 1 102 GLU 102 116 116 GLU GLU B . n 
B 1 103 ALA 103 117 117 ALA ALA B . n 
B 1 104 ASN 104 118 118 ASN ASN B . n 
B 1 105 ALA 105 119 119 ALA ALA B . n 
B 1 106 TRP 106 120 120 TRP TRP B . n 
B 1 107 LYS 107 121 121 LYS LYS B . n 
B 1 108 SER 108 122 122 SER SER B . n 
B 1 109 THR 109 123 123 THR THR B . n 
B 1 110 LEU 110 124 124 LEU LEU B . n 
B 1 111 VAL 111 125 125 VAL VAL B . n 
B 1 112 GLY 112 126 126 GLY GLY B . n 
B 1 113 HIS 113 127 127 HIS HIS B . n 
B 1 114 ASP 114 128 128 ASP ASP B . n 
B 1 115 THR 115 129 129 THR THR B . n 
B 1 116 PHE 116 130 130 PHE PHE B . n 
B 1 117 THR 117 131 131 THR THR B . n 
B 1 118 LYS 118 132 132 LYS LYS B . n 
B 1 119 VAL 119 133 133 VAL VAL B . n 
B 1 120 LYS 120 134 134 LYS LYS B . n 
B 1 121 PRO 121 135 ?   ?   ?   B . n 
C 1 1   ALA 1   15  ?   ?   ?   C . n 
C 1 2   GLY 2   16  16  GLY GLY C . n 
C 1 3   ILE 3   17  17  ILE ILE C . n 
C 1 4   THR 4   18  18  THR THR C . n 
C 1 5   GLY 5   19  19  GLY GLY C . n 
C 1 6   THR 6   20  20  THR THR C . n 
C 1 7   TRP 7   21  21  TRP TRP C . n 
C 1 8   TYR 8   22  22  TYR TYR C . n 
C 1 9   ASN 9   23  23  ASN ASN C . n 
C 1 10  GLN 10  24  24  GLN GLN C . n 
C 1 11  LEU 11  25  25  LEU LEU C . n 
C 1 12  GLY 12  26  26  GLY GLY C . n 
C 1 13  SER 13  27  27  SER SER C . n 
C 1 14  THR 14  28  28  THR THR C . n 
C 1 15  PHE 15  29  29  PHE PHE C . n 
C 1 16  ILE 16  30  30  ILE ILE C . n 
C 1 17  VAL 17  31  31  VAL VAL C . n 
C 1 18  THR 18  32  32  THR THR C . n 
C 1 19  ALA 19  33  33  ALA ALA C . n 
C 1 20  GLY 20  34  34  GLY GLY C . n 
C 1 21  ALA 21  35  35  ALA ALA C . n 
C 1 22  ASP 22  36  36  ASP ASP C . n 
C 1 23  GLY 23  37  37  GLY GLY C . n 
C 1 24  ALA 24  38  38  ALA ALA C . n 
C 1 25  LEU 25  39  39  LEU LEU C . n 
C 1 26  THR 26  40  40  THR THR C . n 
C 1 27  GLY 27  41  41  GLY GLY C . n 
C 1 28  THR 28  42  42  THR THR C . n 
C 1 29  TYR 29  43  43  TYR TYR C . n 
C 1 30  GLU 30  44  44  GLU GLU C . n 
C 1 31  SER 31  45  45  SER SER C . n 
C 1 32  ALA 32  46  46  ALA ALA C . n 
C 1 33  VAL 33  47  47  VAL VAL C . n 
C 1 34  GLY 34  48  48  GLY GLY C . n 
C 1 35  ASN 35  49  49  ASN ASN C . n 
C 1 36  ALA 36  50  50  ALA ALA C . n 
C 1 37  GLU 37  51  51  GLU GLU C . n 
C 1 38  SER 38  52  52  SER SER C . n 
C 1 39  ARG 39  53  53  ARG ARG C . n 
C 1 40  TYR 40  54  54  TYR TYR C . n 
C 1 41  VAL 41  55  55  VAL VAL C . n 
C 1 42  LEU 42  56  56  LEU LEU C . n 
C 1 43  THR 43  57  57  THR THR C . n 
C 1 44  GLY 44  58  58  GLY GLY C . n 
C 1 45  ARG 45  59  59  ARG ARG C . n 
C 1 46  TYR 46  60  60  TYR TYR C . n 
C 1 47  ASP 47  61  61  ASP ASP C . n 
C 1 48  SER 48  62  62  SER SER C . n 
C 1 49  ALA 49  63  63  ALA ALA C . n 
C 1 50  PRO 50  64  64  PRO PRO C . n 
C 1 51  ALA 51  65  65  ALA ALA C . n 
C 1 52  THR 52  66  66  THR THR C . n 
C 1 53  ASP 53  67  67  ASP ASP C . n 
C 1 54  GLY 54  68  68  GLY GLY C . n 
C 1 55  SER 55  69  69  SER SER C . n 
C 1 56  GLY 56  70  70  GLY GLY C . n 
C 1 57  THR 57  71  71  THR THR C . n 
C 1 58  ALA 58  72  72  ALA ALA C . n 
C 1 59  LEU 59  73  73  LEU LEU C . n 
C 1 60  GLY 60  74  74  GLY GLY C . n 
C 1 61  TRP 61  75  75  TRP TRP C . n 
C 1 62  THR 62  76  76  THR THR C . n 
C 1 63  VAL 63  77  77  VAL VAL C . n 
C 1 64  ALA 64  78  78  ALA ALA C . n 
C 1 65  TRP 65  79  79  TRP TRP C . n 
C 1 66  LYS 66  80  80  LYS LYS C . n 
C 1 67  ASN 67  81  81  ASN ASN C . n 
C 1 68  ASN 68  82  82  ASN ASN C . n 
C 1 69  TYR 69  83  83  TYR TYR C . n 
C 1 70  ARG 70  84  84  ARG ARG C . n 
C 1 71  ASN 71  85  85  ASN ASN C . n 
C 1 72  ALA 72  86  86  ALA ALA C . n 
C 1 73  HIS 73  87  87  HIS HIS C . n 
C 1 74  SER 74  88  88  SER SER C . n 
C 1 75  ALA 75  89  89  ALA ALA C . n 
C 1 76  THR 76  90  90  THR THR C . n 
C 1 77  THR 77  91  91  THR THR C . n 
C 1 78  TRP 78  92  92  TRP TRP C . n 
C 1 79  SER 79  93  93  SER SER C . n 
C 1 80  GLY 80  94  94  GLY GLY C . n 
C 1 81  GLN 81  95  95  GLN GLN C . n 
C 1 82  TYR 82  96  96  TYR TYR C . n 
C 1 83  VAL 83  97  97  VAL VAL C . n 
C 1 84  GLY 84  98  98  GLY GLY C . n 
C 1 85  GLY 85  99  99  GLY GLY C . n 
C 1 86  ALA 86  100 100 ALA ALA C . n 
C 1 87  GLU 87  101 101 GLU GLU C . n 
C 1 88  ALA 88  102 102 ALA ALA C . n 
C 1 89  ARG 89  103 103 ARG ARG C . n 
C 1 90  ILE 90  104 104 ILE ILE C . n 
C 1 91  ASN 91  105 105 ASN ASN C . n 
C 1 92  THR 92  106 106 THR THR C . n 
C 1 93  GLN 93  107 107 GLN GLN C . n 
C 1 94  TRP 94  108 108 TRP TRP C . n 
C 1 95  LEU 95  109 109 LEU LEU C . n 
C 1 96  LEU 96  110 110 LEU LEU C . n 
C 1 97  THR 97  111 111 THR THR C . n 
C 1 98  SER 98  112 112 SER SER C . n 
C 1 99  GLY 99  113 113 GLY GLY C . n 
C 1 100 THR 100 114 114 THR THR C . n 
C 1 101 THR 101 115 115 THR THR C . n 
C 1 102 GLU 102 116 116 GLU GLU C . n 
C 1 103 ALA 103 117 117 ALA ALA C . n 
C 1 104 ASN 104 118 118 ASN ASN C . n 
C 1 105 ALA 105 119 119 ALA ALA C . n 
C 1 106 TRP 106 120 120 TRP TRP C . n 
C 1 107 LYS 107 121 121 LYS LYS C . n 
C 1 108 SER 108 122 122 SER SER C . n 
C 1 109 THR 109 123 123 THR THR C . n 
C 1 110 LEU 110 124 124 LEU LEU C . n 
C 1 111 VAL 111 125 125 VAL VAL C . n 
C 1 112 GLY 112 126 126 GLY GLY C . n 
C 1 113 HIS 113 127 127 HIS HIS C . n 
C 1 114 ASP 114 128 128 ASP ASP C . n 
C 1 115 THR 115 129 129 THR THR C . n 
C 1 116 PHE 116 130 130 PHE PHE C . n 
C 1 117 THR 117 131 131 THR THR C . n 
C 1 118 LYS 118 132 132 LYS LYS C . n 
C 1 119 VAL 119 133 133 VAL VAL C . n 
C 1 120 LYS 120 134 134 LYS LYS C . n 
C 1 121 PRO 121 135 135 PRO PRO C . n 
D 1 1   ALA 1   15  ?   ?   ?   D . n 
D 1 2   GLY 2   16  16  GLY GLY D . n 
D 1 3   ILE 3   17  17  ILE ILE D . n 
D 1 4   THR 4   18  18  THR THR D . n 
D 1 5   GLY 5   19  19  GLY GLY D . n 
D 1 6   THR 6   20  20  THR THR D . n 
D 1 7   TRP 7   21  21  TRP TRP D . n 
D 1 8   TYR 8   22  22  TYR TYR D . n 
D 1 9   ASN 9   23  23  ASN ASN D . n 
D 1 10  GLN 10  24  24  GLN GLN D . n 
D 1 11  LEU 11  25  25  LEU LEU D . n 
D 1 12  GLY 12  26  26  GLY GLY D . n 
D 1 13  SER 13  27  27  SER SER D . n 
D 1 14  THR 14  28  28  THR THR D . n 
D 1 15  PHE 15  29  29  PHE PHE D . n 
D 1 16  ILE 16  30  30  ILE ILE D . n 
D 1 17  VAL 17  31  31  VAL VAL D . n 
D 1 18  THR 18  32  32  THR THR D . n 
D 1 19  ALA 19  33  33  ALA ALA D . n 
D 1 20  GLY 20  34  34  GLY GLY D . n 
D 1 21  ALA 21  35  35  ALA ALA D . n 
D 1 22  ASP 22  36  36  ASP ASP D . n 
D 1 23  GLY 23  37  37  GLY GLY D . n 
D 1 24  ALA 24  38  38  ALA ALA D . n 
D 1 25  LEU 25  39  39  LEU LEU D . n 
D 1 26  THR 26  40  40  THR THR D . n 
D 1 27  GLY 27  41  41  GLY GLY D . n 
D 1 28  THR 28  42  42  THR THR D . n 
D 1 29  TYR 29  43  43  TYR TYR D . n 
D 1 30  GLU 30  44  44  GLU GLU D . n 
D 1 31  SER 31  45  45  SER SER D . n 
D 1 32  ALA 32  46  46  ALA ALA D . n 
D 1 33  VAL 33  47  47  VAL VAL D . n 
D 1 34  GLY 34  48  48  GLY GLY D . n 
D 1 35  ASN 35  49  49  ASN ASN D . n 
D 1 36  ALA 36  50  50  ALA ALA D . n 
D 1 37  GLU 37  51  51  GLU GLU D . n 
D 1 38  SER 38  52  52  SER SER D . n 
D 1 39  ARG 39  53  53  ARG ARG D . n 
D 1 40  TYR 40  54  54  TYR TYR D . n 
D 1 41  VAL 41  55  55  VAL VAL D . n 
D 1 42  LEU 42  56  56  LEU LEU D . n 
D 1 43  THR 43  57  57  THR THR D . n 
D 1 44  GLY 44  58  58  GLY GLY D . n 
D 1 45  ARG 45  59  59  ARG ARG D . n 
D 1 46  TYR 46  60  60  TYR TYR D . n 
D 1 47  ASP 47  61  61  ASP ASP D . n 
D 1 48  SER 48  62  62  SER SER D . n 
D 1 49  ALA 49  63  63  ALA ALA D . n 
D 1 50  PRO 50  64  64  PRO PRO D . n 
D 1 51  ALA 51  65  65  ALA ALA D . n 
D 1 52  THR 52  66  66  THR THR D . n 
D 1 53  ASP 53  67  67  ASP ASP D . n 
D 1 54  GLY 54  68  68  GLY GLY D . n 
D 1 55  SER 55  69  69  SER SER D . n 
D 1 56  GLY 56  70  70  GLY GLY D . n 
D 1 57  THR 57  71  71  THR THR D . n 
D 1 58  ALA 58  72  72  ALA ALA D . n 
D 1 59  LEU 59  73  73  LEU LEU D . n 
D 1 60  GLY 60  74  74  GLY GLY D . n 
D 1 61  TRP 61  75  75  TRP TRP D . n 
D 1 62  THR 62  76  76  THR THR D . n 
D 1 63  VAL 63  77  77  VAL VAL D . n 
D 1 64  ALA 64  78  78  ALA ALA D . n 
D 1 65  TRP 65  79  79  TRP TRP D . n 
D 1 66  LYS 66  80  80  LYS LYS D . n 
D 1 67  ASN 67  81  81  ASN ASN D . n 
D 1 68  ASN 68  82  82  ASN ASN D . n 
D 1 69  TYR 69  83  83  TYR TYR D . n 
D 1 70  ARG 70  84  84  ARG ARG D . n 
D 1 71  ASN 71  85  85  ASN ASN D . n 
D 1 72  ALA 72  86  86  ALA ALA D . n 
D 1 73  HIS 73  87  87  HIS HIS D . n 
D 1 74  SER 74  88  88  SER SER D . n 
D 1 75  ALA 75  89  89  ALA ALA D . n 
D 1 76  THR 76  90  90  THR THR D . n 
D 1 77  THR 77  91  91  THR THR D . n 
D 1 78  TRP 78  92  92  TRP TRP D . n 
D 1 79  SER 79  93  93  SER SER D . n 
D 1 80  GLY 80  94  94  GLY GLY D . n 
D 1 81  GLN 81  95  95  GLN GLN D . n 
D 1 82  TYR 82  96  96  TYR TYR D . n 
D 1 83  VAL 83  97  97  VAL VAL D . n 
D 1 84  GLY 84  98  98  GLY GLY D . n 
D 1 85  GLY 85  99  99  GLY GLY D . n 
D 1 86  ALA 86  100 100 ALA ALA D . n 
D 1 87  GLU 87  101 101 GLU GLU D . n 
D 1 88  ALA 88  102 102 ALA ALA D . n 
D 1 89  ARG 89  103 103 ARG ARG D . n 
D 1 90  ILE 90  104 104 ILE ILE D . n 
D 1 91  ASN 91  105 105 ASN ASN D . n 
D 1 92  THR 92  106 106 THR THR D . n 
D 1 93  GLN 93  107 107 GLN GLN D . n 
D 1 94  TRP 94  108 108 TRP TRP D . n 
D 1 95  LEU 95  109 109 LEU LEU D . n 
D 1 96  LEU 96  110 110 LEU LEU D . n 
D 1 97  THR 97  111 111 THR THR D . n 
D 1 98  SER 98  112 112 SER SER D . n 
D 1 99  GLY 99  113 113 GLY GLY D . n 
D 1 100 THR 100 114 114 THR THR D . n 
D 1 101 THR 101 115 115 THR THR D . n 
D 1 102 GLU 102 116 116 GLU GLU D . n 
D 1 103 ALA 103 117 117 ALA ALA D . n 
D 1 104 ASN 104 118 118 ASN ASN D . n 
D 1 105 ALA 105 119 119 ALA ALA D . n 
D 1 106 TRP 106 120 120 TRP TRP D . n 
D 1 107 LYS 107 121 121 LYS LYS D . n 
D 1 108 SER 108 122 122 SER SER D . n 
D 1 109 THR 109 123 123 THR THR D . n 
D 1 110 LEU 110 124 124 LEU LEU D . n 
D 1 111 VAL 111 125 125 VAL VAL D . n 
D 1 112 GLY 112 126 126 GLY GLY D . n 
D 1 113 HIS 113 127 127 HIS HIS D . n 
D 1 114 ASP 114 128 128 ASP ASP D . n 
D 1 115 THR 115 129 129 THR THR D . n 
D 1 116 PHE 116 130 130 PHE PHE D . n 
D 1 117 THR 117 131 131 THR THR D . n 
D 1 118 LYS 118 132 132 LYS LYS D . n 
D 1 119 VAL 119 133 133 VAL VAL D . n 
D 1 120 LYS 120 134 134 LYS LYS D . n 
D 1 121 PRO 121 135 ?   ?   ?   D . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 GOL 1   301 301 GOL GOL A . 
F 3 DMS 1   302 302 DMS DMS A . 
G 2 GOL 1   301 301 GOL GOL B . 
H 2 GOL 1   301 301 GOL GOL C . 
I 3 DMS 1   302 302 DMS DMS C . 
J 2 GOL 1   301 301 GOL GOL D . 
K 4 HOH 1   401 242 HOH HOH A . 
K 4 HOH 2   402 527 HOH HOH A . 
K 4 HOH 3   403 178 HOH HOH A . 
K 4 HOH 4   404 409 HOH HOH A . 
K 4 HOH 5   405 80  HOH HOH A . 
K 4 HOH 6   406 61  HOH HOH A . 
K 4 HOH 7   407 421 HOH HOH A . 
K 4 HOH 8   408 523 HOH HOH A . 
K 4 HOH 9   409 157 HOH HOH A . 
K 4 HOH 10  410 34  HOH HOH A . 
K 4 HOH 11  411 198 HOH HOH A . 
K 4 HOH 12  412 286 HOH HOH A . 
K 4 HOH 13  413 40  HOH HOH A . 
K 4 HOH 14  414 81  HOH HOH A . 
K 4 HOH 15  415 87  HOH HOH A . 
K 4 HOH 16  416 342 HOH HOH A . 
K 4 HOH 17  417 172 HOH HOH A . 
K 4 HOH 18  418 62  HOH HOH A . 
K 4 HOH 19  419 202 HOH HOH A . 
K 4 HOH 20  420 6   HOH HOH A . 
K 4 HOH 21  421 274 HOH HOH A . 
K 4 HOH 22  422 119 HOH HOH A . 
K 4 HOH 23  423 111 HOH HOH A . 
K 4 HOH 24  424 171 HOH HOH A . 
K 4 HOH 25  425 196 HOH HOH A . 
K 4 HOH 26  426 227 HOH HOH A . 
K 4 HOH 27  427 278 HOH HOH A . 
K 4 HOH 28  428 44  HOH HOH A . 
K 4 HOH 29  429 54  HOH HOH A . 
K 4 HOH 30  430 96  HOH HOH A . 
K 4 HOH 31  431 519 HOH HOH A . 
K 4 HOH 32  432 180 HOH HOH A . 
K 4 HOH 33  433 236 HOH HOH A . 
K 4 HOH 34  434 78  HOH HOH A . 
K 4 HOH 35  435 195 HOH HOH A . 
K 4 HOH 36  436 241 HOH HOH A . 
K 4 HOH 37  437 444 HOH HOH A . 
K 4 HOH 38  438 18  HOH HOH A . 
K 4 HOH 39  439 214 HOH HOH A . 
K 4 HOH 40  440 152 HOH HOH A . 
K 4 HOH 41  441 20  HOH HOH A . 
K 4 HOH 42  442 486 HOH HOH A . 
K 4 HOH 43  443 204 HOH HOH A . 
K 4 HOH 44  444 95  HOH HOH A . 
K 4 HOH 45  445 501 HOH HOH A . 
K 4 HOH 46  446 158 HOH HOH A . 
K 4 HOH 47  447 454 HOH HOH A . 
K 4 HOH 48  448 147 HOH HOH A . 
K 4 HOH 49  449 265 HOH HOH A . 
K 4 HOH 50  450 73  HOH HOH A . 
K 4 HOH 51  451 174 HOH HOH A . 
K 4 HOH 52  452 201 HOH HOH A . 
K 4 HOH 53  453 124 HOH HOH A . 
K 4 HOH 54  454 17  HOH HOH A . 
K 4 HOH 55  455 487 HOH HOH A . 
K 4 HOH 56  456 38  HOH HOH A . 
K 4 HOH 57  457 114 HOH HOH A . 
K 4 HOH 58  458 165 HOH HOH A . 
K 4 HOH 59  459 2   HOH HOH A . 
K 4 HOH 60  460 56  HOH HOH A . 
K 4 HOH 61  461 235 HOH HOH A . 
K 4 HOH 62  462 170 HOH HOH A . 
K 4 HOH 63  463 150 HOH HOH A . 
K 4 HOH 64  464 350 HOH HOH A . 
K 4 HOH 65  465 33  HOH HOH A . 
K 4 HOH 66  466 321 HOH HOH A . 
K 4 HOH 67  467 46  HOH HOH A . 
K 4 HOH 68  468 429 HOH HOH A . 
K 4 HOH 69  469 299 HOH HOH A . 
K 4 HOH 70  470 58  HOH HOH A . 
K 4 HOH 71  471 315 HOH HOH A . 
K 4 HOH 72  472 259 HOH HOH A . 
K 4 HOH 73  473 15  HOH HOH A . 
K 4 HOH 74  474 189 HOH HOH A . 
K 4 HOH 75  475 156 HOH HOH A . 
K 4 HOH 76  476 363 HOH HOH A . 
K 4 HOH 77  477 521 HOH HOH A . 
K 4 HOH 78  478 68  HOH HOH A . 
K 4 HOH 79  479 229 HOH HOH A . 
K 4 HOH 80  480 306 HOH HOH A . 
K 4 HOH 81  481 71  HOH HOH A . 
K 4 HOH 82  482 143 HOH HOH A . 
K 4 HOH 83  483 224 HOH HOH A . 
K 4 HOH 84  484 303 HOH HOH A . 
K 4 HOH 85  485 215 HOH HOH A . 
K 4 HOH 86  486 256 HOH HOH A . 
K 4 HOH 87  487 140 HOH HOH A . 
K 4 HOH 88  488 169 HOH HOH A . 
K 4 HOH 89  489 494 HOH HOH A . 
K 4 HOH 90  490 511 HOH HOH A . 
K 4 HOH 91  491 209 HOH HOH A . 
K 4 HOH 92  492 49  HOH HOH A . 
K 4 HOH 93  493 505 HOH HOH A . 
K 4 HOH 94  494 153 HOH HOH A . 
K 4 HOH 95  495 261 HOH HOH A . 
K 4 HOH 96  496 391 HOH HOH A . 
K 4 HOH 97  497 110 HOH HOH A . 
K 4 HOH 98  498 26  HOH HOH A . 
K 4 HOH 99  499 262 HOH HOH A . 
K 4 HOH 100 500 301 HOH HOH A . 
K 4 HOH 101 501 359 HOH HOH A . 
K 4 HOH 102 502 50  HOH HOH A . 
K 4 HOH 103 503 377 HOH HOH A . 
K 4 HOH 104 504 186 HOH HOH A . 
K 4 HOH 105 505 269 HOH HOH A . 
K 4 HOH 106 506 404 HOH HOH A . 
K 4 HOH 107 507 515 HOH HOH A . 
K 4 HOH 108 508 438 HOH HOH A . 
K 4 HOH 109 509 255 HOH HOH A . 
K 4 HOH 110 510 448 HOH HOH A . 
K 4 HOH 111 511 525 HOH HOH A . 
K 4 HOH 112 512 518 HOH HOH A . 
K 4 HOH 113 513 131 HOH HOH A . 
K 4 HOH 114 514 223 HOH HOH A . 
K 4 HOH 115 515 400 HOH HOH A . 
K 4 HOH 116 516 526 HOH HOH A . 
K 4 HOH 117 517 211 HOH HOH A . 
K 4 HOH 118 518 293 HOH HOH A . 
K 4 HOH 119 519 102 HOH HOH A . 
K 4 HOH 120 520 314 HOH HOH A . 
K 4 HOH 121 521 474 HOH HOH A . 
K 4 HOH 122 522 462 HOH HOH A . 
K 4 HOH 123 523 503 HOH HOH A . 
K 4 HOH 124 524 205 HOH HOH A . 
K 4 HOH 125 525 188 HOH HOH A . 
K 4 HOH 126 526 465 HOH HOH A . 
K 4 HOH 127 527 445 HOH HOH A . 
K 4 HOH 128 528 160 HOH HOH A . 
K 4 HOH 129 529 247 HOH HOH A . 
K 4 HOH 130 530 222 HOH HOH A . 
K 4 HOH 131 531 522 HOH HOH A . 
K 4 HOH 132 532 291 HOH HOH A . 
K 4 HOH 133 533 284 HOH HOH A . 
K 4 HOH 134 534 285 HOH HOH A . 
K 4 HOH 135 535 309 HOH HOH A . 
K 4 HOH 136 536 360 HOH HOH A . 
K 4 HOH 137 537 349 HOH HOH A . 
K 4 HOH 138 538 185 HOH HOH A . 
K 4 HOH 139 539 460 HOH HOH A . 
K 4 HOH 140 540 397 HOH HOH A . 
K 4 HOH 141 541 411 HOH HOH A . 
K 4 HOH 142 542 279 HOH HOH A . 
K 4 HOH 143 543 372 HOH HOH A . 
K 4 HOH 144 544 380 HOH HOH A . 
K 4 HOH 145 545 353 HOH HOH A . 
K 4 HOH 146 546 463 HOH HOH A . 
K 4 HOH 147 547 491 HOH HOH A . 
K 4 HOH 148 548 493 HOH HOH A . 
K 4 HOH 149 549 498 HOH HOH A . 
K 4 HOH 150 550 374 HOH HOH A . 
K 4 HOH 151 551 476 HOH HOH A . 
K 4 HOH 152 552 193 HOH HOH A . 
K 4 HOH 153 553 338 HOH HOH A . 
K 4 HOH 154 554 388 HOH HOH A . 
L 4 HOH 1   401 327 HOH HOH B . 
L 4 HOH 2   402 534 HOH HOH B . 
L 4 HOH 3   403 79  HOH HOH B . 
L 4 HOH 4   404 393 HOH HOH B . 
L 4 HOH 5   405 290 HOH HOH B . 
L 4 HOH 6   406 69  HOH HOH B . 
L 4 HOH 7   407 181 HOH HOH B . 
L 4 HOH 8   408 199 HOH HOH B . 
L 4 HOH 9   409 206 HOH HOH B . 
L 4 HOH 10  410 246 HOH HOH B . 
L 4 HOH 11  411 304 HOH HOH B . 
L 4 HOH 12  412 191 HOH HOH B . 
L 4 HOH 13  413 59  HOH HOH B . 
L 4 HOH 14  414 31  HOH HOH B . 
L 4 HOH 15  415 9   HOH HOH B . 
L 4 HOH 16  416 109 HOH HOH B . 
L 4 HOH 17  417 60  HOH HOH B . 
L 4 HOH 18  418 310 HOH HOH B . 
L 4 HOH 19  419 8   HOH HOH B . 
L 4 HOH 20  420 296 HOH HOH B . 
L 4 HOH 21  421 378 HOH HOH B . 
L 4 HOH 22  422 329 HOH HOH B . 
L 4 HOH 23  423 74  HOH HOH B . 
L 4 HOH 24  424 475 HOH HOH B . 
L 4 HOH 25  425 220 HOH HOH B . 
L 4 HOH 26  426 531 HOH HOH B . 
L 4 HOH 27  427 35  HOH HOH B . 
L 4 HOH 28  428 141 HOH HOH B . 
L 4 HOH 29  429 29  HOH HOH B . 
L 4 HOH 30  430 11  HOH HOH B . 
L 4 HOH 31  431 85  HOH HOH B . 
L 4 HOH 32  432 176 HOH HOH B . 
L 4 HOH 33  433 4   HOH HOH B . 
L 4 HOH 34  434 66  HOH HOH B . 
L 4 HOH 35  435 164 HOH HOH B . 
L 4 HOH 36  436 82  HOH HOH B . 
L 4 HOH 37  437 97  HOH HOH B . 
L 4 HOH 38  438 537 HOH HOH B . 
L 4 HOH 39  439 91  HOH HOH B . 
L 4 HOH 40  440 500 HOH HOH B . 
L 4 HOH 41  441 183 HOH HOH B . 
L 4 HOH 42  442 426 HOH HOH B . 
L 4 HOH 43  443 248 HOH HOH B . 
L 4 HOH 44  444 532 HOH HOH B . 
L 4 HOH 45  445 99  HOH HOH B . 
L 4 HOH 46  446 385 HOH HOH B . 
L 4 HOH 47  447 16  HOH HOH B . 
L 4 HOH 48  448 48  HOH HOH B . 
L 4 HOH 49  449 376 HOH HOH B . 
L 4 HOH 50  450 45  HOH HOH B . 
L 4 HOH 51  451 194 HOH HOH B . 
L 4 HOH 52  452 70  HOH HOH B . 
L 4 HOH 53  453 182 HOH HOH B . 
L 4 HOH 54  454 221 HOH HOH B . 
L 4 HOH 55  455 470 HOH HOH B . 
L 4 HOH 56  456 67  HOH HOH B . 
L 4 HOH 57  457 437 HOH HOH B . 
L 4 HOH 58  458 412 HOH HOH B . 
L 4 HOH 59  459 98  HOH HOH B . 
L 4 HOH 60  460 312 HOH HOH B . 
L 4 HOH 61  461 107 HOH HOH B . 
L 4 HOH 62  462 203 HOH HOH B . 
L 4 HOH 63  463 484 HOH HOH B . 
L 4 HOH 64  464 239 HOH HOH B . 
L 4 HOH 65  465 457 HOH HOH B . 
L 4 HOH 66  466 351 HOH HOH B . 
L 4 HOH 67  467 370 HOH HOH B . 
L 4 HOH 68  468 139 HOH HOH B . 
L 4 HOH 69  469 228 HOH HOH B . 
L 4 HOH 70  470 232 HOH HOH B . 
L 4 HOH 71  471 399 HOH HOH B . 
L 4 HOH 72  472 148 HOH HOH B . 
L 4 HOH 73  473 106 HOH HOH B . 
L 4 HOH 74  474 36  HOH HOH B . 
L 4 HOH 75  475 297 HOH HOH B . 
L 4 HOH 76  476 395 HOH HOH B . 
L 4 HOH 77  477 524 HOH HOH B . 
L 4 HOH 78  478 452 HOH HOH B . 
L 4 HOH 79  479 276 HOH HOH B . 
L 4 HOH 80  480 538 HOH HOH B . 
L 4 HOH 81  481 496 HOH HOH B . 
L 4 HOH 82  482 365 HOH HOH B . 
L 4 HOH 83  483 514 HOH HOH B . 
L 4 HOH 84  484 485 HOH HOH B . 
L 4 HOH 85  485 308 HOH HOH B . 
L 4 HOH 86  486 387 HOH HOH B . 
L 4 HOH 87  487 482 HOH HOH B . 
L 4 HOH 88  488 508 HOH HOH B . 
L 4 HOH 89  489 266 HOH HOH B . 
L 4 HOH 90  490 25  HOH HOH B . 
L 4 HOH 91  491 116 HOH HOH B . 
L 4 HOH 92  492 366 HOH HOH B . 
L 4 HOH 93  493 424 HOH HOH B . 
L 4 HOH 94  494 251 HOH HOH B . 
L 4 HOH 95  495 512 HOH HOH B . 
L 4 HOH 96  496 264 HOH HOH B . 
L 4 HOH 97  497 446 HOH HOH B . 
L 4 HOH 98  498 340 HOH HOH B . 
L 4 HOH 99  499 332 HOH HOH B . 
L 4 HOH 100 500 354 HOH HOH B . 
L 4 HOH 101 501 292 HOH HOH B . 
L 4 HOH 102 502 257 HOH HOH B . 
L 4 HOH 103 503 509 HOH HOH B . 
L 4 HOH 104 504 311 HOH HOH B . 
L 4 HOH 105 505 368 HOH HOH B . 
L 4 HOH 106 506 473 HOH HOH B . 
L 4 HOH 107 507 128 HOH HOH B . 
L 4 HOH 108 508 413 HOH HOH B . 
L 4 HOH 109 509 430 HOH HOH B . 
L 4 HOH 110 510 467 HOH HOH B . 
L 4 HOH 111 511 197 HOH HOH B . 
L 4 HOH 112 512 348 HOH HOH B . 
L 4 HOH 113 513 461 HOH HOH B . 
L 4 HOH 114 514 471 HOH HOH B . 
L 4 HOH 115 515 313 HOH HOH B . 
L 4 HOH 116 516 331 HOH HOH B . 
L 4 HOH 117 517 358 HOH HOH B . 
M 4 HOH 1   401 275 HOH HOH C . 
M 4 HOH 2   402 339 HOH HOH C . 
M 4 HOH 3   403 381 HOH HOH C . 
M 4 HOH 4   404 100 HOH HOH C . 
M 4 HOH 5   405 468 HOH HOH C . 
M 4 HOH 6   406 516 HOH HOH C . 
M 4 HOH 7   407 120 HOH HOH C . 
M 4 HOH 8   408 125 HOH HOH C . 
M 4 HOH 9   409 407 HOH HOH C . 
M 4 HOH 10  410 529 HOH HOH C . 
M 4 HOH 11  411 130 HOH HOH C . 
M 4 HOH 12  412 3   HOH HOH C . 
M 4 HOH 13  413 154 HOH HOH C . 
M 4 HOH 14  414 118 HOH HOH C . 
M 4 HOH 15  415 47  HOH HOH C . 
M 4 HOH 16  416 161 HOH HOH C . 
M 4 HOH 17  417 245 HOH HOH C . 
M 4 HOH 18  418 244 HOH HOH C . 
M 4 HOH 19  419 334 HOH HOH C . 
M 4 HOH 20  420 75  HOH HOH C . 
M 4 HOH 21  421 10  HOH HOH C . 
M 4 HOH 22  422 226 HOH HOH C . 
M 4 HOH 23  423 506 HOH HOH C . 
M 4 HOH 24  424 72  HOH HOH C . 
M 4 HOH 25  425 450 HOH HOH C . 
M 4 HOH 26  426 94  HOH HOH C . 
M 4 HOH 27  427 76  HOH HOH C . 
M 4 HOH 28  428 113 HOH HOH C . 
M 4 HOH 29  429 240 HOH HOH C . 
M 4 HOH 30  430 115 HOH HOH C . 
M 4 HOH 31  431 283 HOH HOH C . 
M 4 HOH 32  432 175 HOH HOH C . 
M 4 HOH 33  433 455 HOH HOH C . 
M 4 HOH 34  434 65  HOH HOH C . 
M 4 HOH 35  435 24  HOH HOH C . 
M 4 HOH 36  436 32  HOH HOH C . 
M 4 HOH 37  437 177 HOH HOH C . 
M 4 HOH 38  438 250 HOH HOH C . 
M 4 HOH 39  439 392 HOH HOH C . 
M 4 HOH 40  440 30  HOH HOH C . 
M 4 HOH 41  441 394 HOH HOH C . 
M 4 HOH 42  442 88  HOH HOH C . 
M 4 HOH 43  443 253 HOH HOH C . 
M 4 HOH 44  444 295 HOH HOH C . 
M 4 HOH 45  445 333 HOH HOH C . 
M 4 HOH 46  446 86  HOH HOH C . 
M 4 HOH 47  447 123 HOH HOH C . 
M 4 HOH 48  448 302 HOH HOH C . 
M 4 HOH 49  449 233 HOH HOH C . 
M 4 HOH 50  450 144 HOH HOH C . 
M 4 HOH 51  451 167 HOH HOH C . 
M 4 HOH 52  452 5   HOH HOH C . 
M 4 HOH 53  453 52  HOH HOH C . 
M 4 HOH 54  454 132 HOH HOH C . 
M 4 HOH 55  455 28  HOH HOH C . 
M 4 HOH 56  456 14  HOH HOH C . 
M 4 HOH 57  457 146 HOH HOH C . 
M 4 HOH 58  458 225 HOH HOH C . 
M 4 HOH 59  459 346 HOH HOH C . 
M 4 HOH 60  460 63  HOH HOH C . 
M 4 HOH 61  461 187 HOH HOH C . 
M 4 HOH 62  462 383 HOH HOH C . 
M 4 HOH 63  463 213 HOH HOH C . 
M 4 HOH 64  464 12  HOH HOH C . 
M 4 HOH 65  465 219 HOH HOH C . 
M 4 HOH 66  466 432 HOH HOH C . 
M 4 HOH 67  467 434 HOH HOH C . 
M 4 HOH 68  468 108 HOH HOH C . 
M 4 HOH 69  469 190 HOH HOH C . 
M 4 HOH 70  470 121 HOH HOH C . 
M 4 HOH 71  471 112 HOH HOH C . 
M 4 HOH 72  472 57  HOH HOH C . 
M 4 HOH 73  473 384 HOH HOH C . 
M 4 HOH 74  474 162 HOH HOH C . 
M 4 HOH 75  475 479 HOH HOH C . 
M 4 HOH 76  476 322 HOH HOH C . 
M 4 HOH 77  477 93  HOH HOH C . 
M 4 HOH 78  478 238 HOH HOH C . 
M 4 HOH 79  479 533 HOH HOH C . 
M 4 HOH 80  480 234 HOH HOH C . 
M 4 HOH 81  481 335 HOH HOH C . 
M 4 HOH 82  482 166 HOH HOH C . 
M 4 HOH 83  483 267 HOH HOH C . 
M 4 HOH 84  484 502 HOH HOH C . 
M 4 HOH 85  485 101 HOH HOH C . 
M 4 HOH 86  486 155 HOH HOH C . 
M 4 HOH 87  487 179 HOH HOH C . 
M 4 HOH 88  488 254 HOH HOH C . 
M 4 HOH 89  489 142 HOH HOH C . 
M 4 HOH 90  490 528 HOH HOH C . 
M 4 HOH 91  491 270 HOH HOH C . 
M 4 HOH 92  492 326 HOH HOH C . 
M 4 HOH 93  493 369 HOH HOH C . 
M 4 HOH 94  494 230 HOH HOH C . 
M 4 HOH 95  495 325 HOH HOH C . 
M 4 HOH 96  496 237 HOH HOH C . 
M 4 HOH 97  497 258 HOH HOH C . 
M 4 HOH 98  498 483 HOH HOH C . 
M 4 HOH 99  499 294 HOH HOH C . 
M 4 HOH 100 500 127 HOH HOH C . 
M 4 HOH 101 501 405 HOH HOH C . 
M 4 HOH 102 502 218 HOH HOH C . 
M 4 HOH 103 503 277 HOH HOH C . 
M 4 HOH 104 504 300 HOH HOH C . 
M 4 HOH 105 505 420 HOH HOH C . 
M 4 HOH 106 506 464 HOH HOH C . 
M 4 HOH 107 507 419 HOH HOH C . 
M 4 HOH 108 508 456 HOH HOH C . 
M 4 HOH 109 509 149 HOH HOH C . 
M 4 HOH 110 510 436 HOH HOH C . 
M 4 HOH 111 511 216 HOH HOH C . 
M 4 HOH 112 512 159 HOH HOH C . 
M 4 HOH 113 513 382 HOH HOH C . 
M 4 HOH 114 514 415 HOH HOH C . 
M 4 HOH 115 515 520 HOH HOH C . 
M 4 HOH 116 516 510 HOH HOH C . 
M 4 HOH 117 517 417 HOH HOH C . 
M 4 HOH 118 518 459 HOH HOH C . 
M 4 HOH 119 519 507 HOH HOH C . 
M 4 HOH 120 520 451 HOH HOH C . 
M 4 HOH 121 521 403 HOH HOH C . 
M 4 HOH 122 522 458 HOH HOH C . 
M 4 HOH 123 523 371 HOH HOH C . 
M 4 HOH 124 524 249 HOH HOH C . 
M 4 HOH 125 525 490 HOH HOH C . 
M 4 HOH 126 526 539 HOH HOH C . 
M 4 HOH 127 527 357 HOH HOH C . 
M 4 HOH 128 528 375 HOH HOH C . 
M 4 HOH 129 529 362 HOH HOH C . 
M 4 HOH 130 530 344 HOH HOH C . 
M 4 HOH 131 531 477 HOH HOH C . 
M 4 HOH 132 532 478 HOH HOH C . 
M 4 HOH 133 533 497 HOH HOH C . 
M 4 HOH 134 534 504 HOH HOH C . 
M 4 HOH 135 535 320 HOH HOH C . 
M 4 HOH 136 536 356 HOH HOH C . 
M 4 HOH 137 537 337 HOH HOH C . 
M 4 HOH 138 538 379 HOH HOH C . 
M 4 HOH 139 539 389 HOH HOH C . 
M 4 HOH 140 540 447 HOH HOH C . 
M 4 HOH 141 541 373 HOH HOH C . 
N 4 HOH 1   401 439 HOH HOH D . 
N 4 HOH 2   402 200 HOH HOH D . 
N 4 HOH 3   403 90  HOH HOH D . 
N 4 HOH 4   404 271 HOH HOH D . 
N 4 HOH 5   405 422 HOH HOH D . 
N 4 HOH 6   406 83  HOH HOH D . 
N 4 HOH 7   407 210 HOH HOH D . 
N 4 HOH 8   408 428 HOH HOH D . 
N 4 HOH 9   409 138 HOH HOH D . 
N 4 HOH 10  410 1   HOH HOH D . 
N 4 HOH 11  411 122 HOH HOH D . 
N 4 HOH 12  412 13  HOH HOH D . 
N 4 HOH 13  413 22  HOH HOH D . 
N 4 HOH 14  414 55  HOH HOH D . 
N 4 HOH 15  415 268 HOH HOH D . 
N 4 HOH 16  416 212 HOH HOH D . 
N 4 HOH 17  417 43  HOH HOH D . 
N 4 HOH 18  418 345 HOH HOH D . 
N 4 HOH 19  419 352 HOH HOH D . 
N 4 HOH 20  420 104 HOH HOH D . 
N 4 HOH 21  421 287 HOH HOH D . 
N 4 HOH 22  422 137 HOH HOH D . 
N 4 HOH 23  423 64  HOH HOH D . 
N 4 HOH 24  424 231 HOH HOH D . 
N 4 HOH 25  425 84  HOH HOH D . 
N 4 HOH 26  426 319 HOH HOH D . 
N 4 HOH 27  427 21  HOH HOH D . 
N 4 HOH 28  428 126 HOH HOH D . 
N 4 HOH 29  429 423 HOH HOH D . 
N 4 HOH 30  430 328 HOH HOH D . 
N 4 HOH 31  431 136 HOH HOH D . 
N 4 HOH 32  432 41  HOH HOH D . 
N 4 HOH 33  433 39  HOH HOH D . 
N 4 HOH 34  434 263 HOH HOH D . 
N 4 HOH 35  435 364 HOH HOH D . 
N 4 HOH 36  436 282 HOH HOH D . 
N 4 HOH 37  437 305 HOH HOH D . 
N 4 HOH 38  438 208 HOH HOH D . 
N 4 HOH 39  439 42  HOH HOH D . 
N 4 HOH 40  440 414 HOH HOH D . 
N 4 HOH 41  441 207 HOH HOH D . 
N 4 HOH 42  442 105 HOH HOH D . 
N 4 HOH 43  443 134 HOH HOH D . 
N 4 HOH 44  444 145 HOH HOH D . 
N 4 HOH 45  445 7   HOH HOH D . 
N 4 HOH 46  446 19  HOH HOH D . 
N 4 HOH 47  447 37  HOH HOH D . 
N 4 HOH 48  448 217 HOH HOH D . 
N 4 HOH 49  449 252 HOH HOH D . 
N 4 HOH 50  450 336 HOH HOH D . 
N 4 HOH 51  451 330 HOH HOH D . 
N 4 HOH 52  452 77  HOH HOH D . 
N 4 HOH 53  453 129 HOH HOH D . 
N 4 HOH 54  454 23  HOH HOH D . 
N 4 HOH 55  455 307 HOH HOH D . 
N 4 HOH 56  456 192 HOH HOH D . 
N 4 HOH 57  457 92  HOH HOH D . 
N 4 HOH 58  458 27  HOH HOH D . 
N 4 HOH 59  459 103 HOH HOH D . 
N 4 HOH 60  460 163 HOH HOH D . 
N 4 HOH 61  461 273 HOH HOH D . 
N 4 HOH 62  462 341 HOH HOH D . 
N 4 HOH 63  463 489 HOH HOH D . 
N 4 HOH 64  464 416 HOH HOH D . 
N 4 HOH 65  465 117 HOH HOH D . 
N 4 HOH 66  466 135 HOH HOH D . 
N 4 HOH 67  467 53  HOH HOH D . 
N 4 HOH 68  468 133 HOH HOH D . 
N 4 HOH 69  469 298 HOH HOH D . 
N 4 HOH 70  470 390 HOH HOH D . 
N 4 HOH 71  471 386 HOH HOH D . 
N 4 HOH 72  472 288 HOH HOH D . 
N 4 HOH 73  473 89  HOH HOH D . 
N 4 HOH 74  474 168 HOH HOH D . 
N 4 HOH 75  475 488 HOH HOH D . 
N 4 HOH 76  476 499 HOH HOH D . 
N 4 HOH 77  477 324 HOH HOH D . 
N 4 HOH 78  478 441 HOH HOH D . 
N 4 HOH 79  479 540 HOH HOH D . 
N 4 HOH 80  480 535 HOH HOH D . 
N 4 HOH 81  481 402 HOH HOH D . 
N 4 HOH 82  482 272 HOH HOH D . 
N 4 HOH 83  483 440 HOH HOH D . 
N 4 HOH 84  484 396 HOH HOH D . 
N 4 HOH 85  485 173 HOH HOH D . 
N 4 HOH 86  486 425 HOH HOH D . 
N 4 HOH 87  487 398 HOH HOH D . 
N 4 HOH 88  488 536 HOH HOH D . 
N 4 HOH 89  489 317 HOH HOH D . 
N 4 HOH 90  490 51  HOH HOH D . 
N 4 HOH 91  491 361 HOH HOH D . 
N 4 HOH 92  492 151 HOH HOH D . 
N 4 HOH 93  493 469 HOH HOH D . 
N 4 HOH 94  494 243 HOH HOH D . 
N 4 HOH 95  495 427 HOH HOH D . 
N 4 HOH 96  496 517 HOH HOH D . 
N 4 HOH 97  497 406 HOH HOH D . 
N 4 HOH 98  498 453 HOH HOH D . 
N 4 HOH 99  499 347 HOH HOH D . 
N 4 HOH 100 500 443 HOH HOH D . 
N 4 HOH 101 501 481 HOH HOH D . 
N 4 HOH 102 502 318 HOH HOH D . 
N 4 HOH 103 503 466 HOH HOH D . 
N 4 HOH 104 504 316 HOH HOH D . 
N 4 HOH 105 505 323 HOH HOH D . 
N 4 HOH 106 506 280 HOH HOH D . 
N 4 HOH 107 507 343 HOH HOH D . 
N 4 HOH 108 508 281 HOH HOH D . 
N 4 HOH 109 509 367 HOH HOH D . 
N 4 HOH 110 510 401 HOH HOH D . 
N 4 HOH 111 511 492 HOH HOH D . 
N 4 HOH 112 512 408 HOH HOH D . 
N 4 HOH 113 513 289 HOH HOH D . 
N 4 HOH 114 514 260 HOH HOH D . 
N 4 HOH 115 515 184 HOH HOH D . 
N 4 HOH 116 516 480 HOH HOH D . 
N 4 HOH 117 517 449 HOH HOH D . 
N 4 HOH 118 518 495 HOH HOH D . 
N 4 HOH 119 519 513 HOH HOH D . 
N 4 HOH 120 520 435 HOH HOH D . 
N 4 HOH 121 521 530 HOH HOH D . 
N 4 HOH 122 522 433 HOH HOH D . 
N 4 HOH 123 523 442 HOH HOH D . 
N 4 HOH 124 524 431 HOH HOH D . 
N 4 HOH 125 525 410 HOH HOH D . 
N 4 HOH 126 526 418 HOH HOH D . 
N 4 HOH 127 527 472 HOH HOH D . 
N 4 HOH 128 528 355 HOH HOH D . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 0 B PHE 29 ? N   B B PHE 15 N   
2  1 Y 0 B PHE 29 ? CA  B B PHE 15 CA  
3  1 Y 0 B PHE 29 ? C   B B PHE 15 C   
4  1 Y 0 B PHE 29 ? O   B B PHE 15 O   
5  1 Y 0 B PHE 29 ? CB  B B PHE 15 CB  
6  1 Y 0 B PHE 29 ? CG  B B PHE 15 CG  
7  1 Y 0 B PHE 29 ? CD1 B B PHE 15 CD1 
8  1 Y 0 B PHE 29 ? CD2 B B PHE 15 CD2 
9  1 Y 0 B PHE 29 ? CE1 B B PHE 15 CE1 
10 1 Y 0 B PHE 29 ? CE2 B B PHE 15 CE2 
11 1 Y 0 B PHE 29 ? CZ  B B PHE 15 CZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   98.87 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Y28 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     46.666 
_cell.length_a_esd                 ? 
_cell.length_b                     85.553 
_cell.length_b_esd                 ? 
_cell.length_c                     58.343 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_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                         8Y28 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 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                   8Y28 
_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             2.28 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.10 
_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              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M MES pH 6.0, 20% PEG 1000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RAYONIX MX300HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2018-02-14 
_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   0.9 
_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                        'SPRING-8 BEAMLINE BL44XU' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL44XU 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Y28 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.33 
_reflns.d_resolution_low                               47.8 
_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                                     102434 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.33 
_reflns_shell.d_res_low                                     1.35 
_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                             4963 
_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.660 
_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               ? 
# 
_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                               ? 
_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                                 8Y28 
_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                            1.33 
_refine.ls_d_res_low                             46.11 
_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                     102304 
_refine.ls_number_reflns_R_free                  5048 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.74 
_refine.ls_percent_reflns_R_free                 4.93 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1498 
_refine.ls_R_factor_R_free                       0.1852 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1479 
_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                          1.38 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 23.06 
_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                            0.14 
_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                       1.33 
_refine_hist.d_res_low                        46.11 
_refine_hist.number_atoms_solvent             540 
_refine_hist.number_atoms_total               4141 
_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        3569 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         32 
_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' ? 0.005  ? 3828 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.779  ? 5252 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 11.978 ? 1244 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.082  ? 581  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 665  ? f_plane_restr      ? ? 
# 
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' 1.33 1.35  . . 164 3198 98.00  . . . . 0.2291 . . . . . . . . . . . 0.2898 
'X-RAY DIFFRACTION' 1.35 1.36  . . 152 3170 97.00  . . . . 0.2100 . . . . . . . . . . . 0.2489 
'X-RAY DIFFRACTION' 1.36 1.38  . . 167 3239 98.00  . . . . 0.1997 . . . . . . . . . . . 0.2280 
'X-RAY DIFFRACTION' 1.38 1.39  . . 167 3150 98.00  . . . . 0.1878 . . . . . . . . . . . 0.2493 
'X-RAY DIFFRACTION' 1.39 1.41  . . 166 3229 98.00  . . . . 0.1757 . . . . . . . . . . . 0.2506 
'X-RAY DIFFRACTION' 1.41 1.43  . . 163 3196 98.00  . . . . 0.1810 . . . . . . . . . . . 0.2306 
'X-RAY DIFFRACTION' 1.43 1.45  . . 163 3221 98.00  . . . . 0.1736 . . . . . . . . . . . 0.1895 
'X-RAY DIFFRACTION' 1.45 1.47  . . 168 3188 99.00  . . . . 0.1602 . . . . . . . . . . . 0.2094 
'X-RAY DIFFRACTION' 1.47 1.50  . . 162 3232 98.00  . . . . 0.1509 . . . . . . . . . . . 0.1931 
'X-RAY DIFFRACTION' 1.50 1.52  . . 183 3215 99.00  . . . . 0.1444 . . . . . . . . . . . 0.2096 
'X-RAY DIFFRACTION' 1.52 1.55  . . 171 3198 98.00  . . . . 0.1418 . . . . . . . . . . . 0.1961 
'X-RAY DIFFRACTION' 1.55 1.58  . . 159 3203 98.00  . . . . 0.1377 . . . . . . . . . . . 0.2144 
'X-RAY DIFFRACTION' 1.58 1.61  . . 162 3293 99.00  . . . . 0.1453 . . . . . . . . . . . 0.1735 
'X-RAY DIFFRACTION' 1.61 1.64  . . 164 3195 99.00  . . . . 0.1479 . . . . . . . . . . . 0.1713 
'X-RAY DIFFRACTION' 1.64 1.68  . . 183 3255 98.00  . . . . 0.1463 . . . . . . . . . . . 0.1892 
'X-RAY DIFFRACTION' 1.68 1.71  . . 172 3215 99.00  . . . . 0.1437 . . . . . . . . . . . 0.1786 
'X-RAY DIFFRACTION' 1.71 1.76  . . 193 3228 99.00  . . . . 0.1399 . . . . . . . . . . . 0.2054 
'X-RAY DIFFRACTION' 1.76 1.81  . . 168 3248 99.00  . . . . 0.1408 . . . . . . . . . . . 0.1959 
'X-RAY DIFFRACTION' 1.81 1.86  . . 170 3261 99.00  . . . . 0.1292 . . . . . . . . . . . 0.1484 
'X-RAY DIFFRACTION' 1.86 1.92  . . 152 3263 99.00  . . . . 0.1279 . . . . . . . . . . . 0.1617 
'X-RAY DIFFRACTION' 1.92 1.99  . . 138 3293 99.00  . . . . 0.1283 . . . . . . . . . . . 0.1641 
'X-RAY DIFFRACTION' 1.99 2.07  . . 151 3268 99.00  . . . . 0.1342 . . . . . . . . . . . 0.1673 
'X-RAY DIFFRACTION' 2.07 2.16  . . 165 3322 99.00  . . . . 0.1381 . . . . . . . . . . . 0.1751 
'X-RAY DIFFRACTION' 2.16 2.27  . . 153 3250 100.00 . . . . 0.1450 . . . . . . . . . . . 0.1671 
'X-RAY DIFFRACTION' 2.27 2.42  . . 201 3281 100.00 . . . . 0.1506 . . . . . . . . . . . 0.1981 
'X-RAY DIFFRACTION' 2.42 2.60  . . 177 3285 100.00 . . . . 0.1526 . . . . . . . . . . . 0.1907 
'X-RAY DIFFRACTION' 2.60 2.87  . . 179 3293 100.00 . . . . 0.1500 . . . . . . . . . . . 0.1828 
'X-RAY DIFFRACTION' 2.87 3.28  . . 162 3303 100.00 . . . . 0.1460 . . . . . . . . . . . 0.1771 
'X-RAY DIFFRACTION' 3.28 4.13  . . 192 3282 100.00 . . . . 0.1345 . . . . . . . . . . . 0.1593 
'X-RAY DIFFRACTION' 4.13 46.11 . . 181 3282 98.00  . . . . 0.1600 . . . . . . . . . . . 0.1975 
# 
_struct.entry_id                     8Y28 
_struct.title                        
'X-ray crystal structure of ALiS5-Streptavidine complex with 20% glycerol using a high-pressure cryocooling method' 
_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        8Y28 
_struct_keywords.text            'streptavidin, CYTOSOLIC PROTEIN' 
_struct_keywords.pdbx_keywords   'CYTOSOLIC PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 3 ? 
G N N 2 ? 
H N N 2 ? 
I N N 3 ? 
J N N 2 ? 
K N N 4 ? 
L N N 4 ? 
M N N 4 ? 
N N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SAV_STRAV 
_struct_ref.pdbx_db_accession          P22629 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_struct_ref.pdbx_align_begin           39 
# 
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 8Y28 A 1 ? 121 ? P22629 39 ? 159 ? 15 135 
2 1 8Y28 B 1 ? 121 ? P22629 39 ? 159 ? 15 135 
3 1 8Y28 C 1 ? 121 ? P22629 39 ? 159 ? 15 135 
4 1 8Y28 D 1 ? 121 ? P22629 39 ? 159 ? 15 135 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 10670 ? 
1 MORE         -56   ? 
1 'SSA (A^2)'  19160 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASN A 104 ? LYS A 107 ? ASN A 118 LYS A 121 5 ? 4 
HELX_P HELX_P2 AA2 ASN B 35  ? GLU B 37  ? ASN B 49  GLU B 51  5 ? 3 
HELX_P HELX_P3 AA3 THR B 101 ? LYS B 107 ? THR B 115 LYS B 121 5 ? 7 
HELX_P HELX_P4 AA4 THR C 101 ? LYS C 107 ? THR C 115 LYS C 121 5 ? 7 
HELX_P HELX_P5 AA5 ASN D 35  ? ARG D 39  ? ASN D 49  ARG D 53  5 ? 5 
HELX_P HELX_P6 AA6 THR D 101 ? LYS D 107 ? THR D 115 LYS D 121 5 ? 7 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 9 ? 
AA2 ? 9 ? 
AA3 ? 9 ? 
AA4 ? 9 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA1 8 9 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
AA2 7 8 ? anti-parallel 
AA2 8 9 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA3 6 7 ? anti-parallel 
AA3 7 8 ? anti-parallel 
AA3 8 9 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA4 6 7 ? anti-parallel 
AA4 7 8 ? anti-parallel 
AA4 8 9 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLY A 5   ? ASN A 9   ? GLY A 19  ASN A 23  
AA1 2 THR A 14  ? ALA A 19  ? THR A 28  ALA A 33  
AA1 3 ALA A 24  ? GLU A 30  ? ALA A 38  GLU A 44  
AA1 4 TYR A 40  ? TYR A 46  ? TYR A 54  TYR A 60  
AA1 5 THR A 57  ? LYS A 66  ? THR A 71  LYS A 80  
AA1 6 ASN A 71  ? VAL A 83  ? ASN A 85  VAL A 97  
AA1 7 ARG A 89  ? SER A 98  ? ARG A 103 SER A 112 
AA1 8 THR A 109 ? THR A 117 ? THR A 123 THR A 131 
AA1 9 GLY A 5   ? ASN A 9   ? GLY A 19  ASN A 23  
AA2 1 GLY B 5   ? TYR B 8   ? GLY B 19  TYR B 22  
AA2 2 THR B 14  ? ALA B 19  ? THR B 28  ALA B 33  
AA2 3 ALA B 24  ? GLU B 30  ? ALA B 38  GLU B 44  
AA2 4 ARG B 39  ? TYR B 46  ? ARG B 53  TYR B 60  
AA2 5 THR B 57  ? LYS B 66  ? THR B 71  LYS B 80  
AA2 6 ASN B 71  ? VAL B 83  ? ASN B 85  VAL B 97  
AA2 7 ARG B 89  ? SER B 98  ? ARG B 103 SER B 112 
AA2 8 THR B 109 ? THR B 117 ? THR B 123 THR B 131 
AA2 9 GLY B 5   ? TYR B 8   ? GLY B 19  TYR B 22  
AA3 1 GLY C 5   ? ASN C 9   ? GLY C 19  ASN C 23  
AA3 2 THR C 14  ? ALA C 19  ? THR C 28  ALA C 33  
AA3 3 ALA C 24  ? GLU C 30  ? ALA C 38  GLU C 44  
AA3 4 ARG C 39  ? TYR C 46  ? ARG C 53  TYR C 60  
AA3 5 THR C 57  ? LYS C 66  ? THR C 71  LYS C 80  
AA3 6 ASN C 71  ? VAL C 83  ? ASN C 85  VAL C 97  
AA3 7 ARG C 89  ? SER C 98  ? ARG C 103 SER C 112 
AA3 8 THR C 109 ? THR C 117 ? THR C 123 THR C 131 
AA3 9 GLY C 5   ? ASN C 9   ? GLY C 19  ASN C 23  
AA4 1 GLY D 5   ? TYR D 8   ? GLY D 19  TYR D 22  
AA4 2 THR D 14  ? ALA D 19  ? THR D 28  ALA D 33  
AA4 3 ALA D 24  ? GLU D 30  ? ALA D 38  GLU D 44  
AA4 4 TYR D 40  ? TYR D 46  ? TYR D 54  TYR D 60  
AA4 5 THR D 57  ? LYS D 66  ? THR D 71  LYS D 80  
AA4 6 ASN D 71  ? VAL D 83  ? ASN D 85  VAL D 97  
AA4 7 ARG D 89  ? SER D 98  ? ARG D 103 SER D 112 
AA4 8 THR D 109 ? THR D 117 ? THR D 123 THR D 131 
AA4 9 GLY D 5   ? TYR D 8   ? GLY D 19  TYR D 22  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TRP A 7   ? N TRP A 21  O PHE A 15  ? O PHE A 29  
AA1 2 3 N ILE A 16  ? N ILE A 30  O THR A 28  ? O THR A 42  
AA1 3 4 N LEU A 25  ? N LEU A 39  O GLY A 44  ? O GLY A 58  
AA1 4 5 N THR A 43  ? N THR A 57  O THR A 62  ? O THR A 76  
AA1 5 6 N TRP A 65  ? N TRP A 79  O SER A 74  ? O SER A 88  
AA1 6 7 N VAL A 83  ? N VAL A 97  O ARG A 89  ? O ARG A 103 
AA1 7 8 N ILE A 90  ? N ILE A 104 O PHE A 116 ? O PHE A 130 
AA1 8 9 O THR A 117 ? O THR A 131 N TYR A 8   ? N TYR A 22  
AA2 1 2 N TRP B 7   ? N TRP B 21  O PHE B 15  ? O PHE B 29  
AA2 2 3 N THR B 14  ? N THR B 28  O GLU B 30  ? O GLU B 44  
AA2 3 4 N TYR B 29  ? N TYR B 43  O TYR B 40  ? O TYR B 54  
AA2 4 5 N ARG B 45  ? N ARG B 59  O GLY B 60  ? O GLY B 74  
AA2 5 6 N TRP B 65  ? N TRP B 79  O SER B 74  ? O SER B 88  
AA2 6 7 N VAL B 83  ? N VAL B 97  O ARG B 89  ? O ARG B 103 
AA2 7 8 N TRP B 94  ? N TRP B 108 O GLY B 112 ? O GLY B 126 
AA2 8 9 O THR B 117 ? O THR B 131 N TYR B 8   ? N TYR B 22  
AA3 1 2 N TRP C 7   ? N TRP C 21  O PHE C 15  ? O PHE C 29  
AA3 2 3 N THR C 18  ? N THR C 32  O THR C 26  ? O THR C 40  
AA3 3 4 N LEU C 25  ? N LEU C 39  O GLY C 44  ? O GLY C 58  
AA3 4 5 N THR C 43  ? N THR C 57  O THR C 62  ? O THR C 76  
AA3 5 6 N THR C 57  ? N THR C 71  O TYR C 82  ? O TYR C 96  
AA3 6 7 N VAL C 83  ? N VAL C 97  O ARG C 89  ? O ARG C 103 
AA3 7 8 N ILE C 90  ? N ILE C 104 O PHE C 116 ? O PHE C 130 
AA3 8 9 O THR C 117 ? O THR C 131 N TYR C 8   ? N TYR C 22  
AA4 1 2 N TRP D 7   ? N TRP D 21  O PHE D 15  ? O PHE D 29  
AA4 2 3 N THR D 14  ? N THR D 28  O GLU D 30  ? O GLU D 44  
AA4 3 4 N TYR D 29  ? N TYR D 43  O TYR D 40  ? O TYR D 54  
AA4 4 5 N THR D 43  ? N THR D 57  O THR D 62  ? O THR D 76  
AA4 5 6 N VAL D 63  ? N VAL D 77  O THR D 76  ? O THR D 90  
AA4 6 7 N VAL D 83  ? N VAL D 97  O ARG D 89  ? O ARG D 103 
AA4 7 8 N TRP D 94  ? N TRP D 108 O GLY D 112 ? O GLY D 126 
AA4 8 9 O THR D 117 ? O THR D 131 N TYR D 8   ? N TYR D 22  
# 
_pdbx_entry_details.entry_id                   8Y28 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O1 D GOL 301 ? ? O D HOH 401 ? ? 2.18 
2 1 O  C HOH 481 ? ? O D HOH 430 ? ? 2.18 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     544 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    C 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     403 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_545 
_pdbx_validate_symm_contact.dist              2.19 
# 
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 SER A 52  ? ? 65.71   -157.15 
2 1 TRP A 79  ? ? -82.76  49.50   
3 1 THR B 66  ? ? -114.30 59.99   
4 1 GLU B 101 ? ? -115.63 61.98   
5 1 SER C 52  ? ? 67.79   -158.97 
6 1 GLU D 101 ? ? -114.15 58.74   
# 
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 553 ? 6.10 . 
2 1 O ? A HOH 554 ? 7.00 . 
3 1 O ? B HOH 517 ? 6.70 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A ALA 15  ? A ALA 1   
2 1 Y 1 B ALA 15  ? B ALA 1   
3 1 Y 1 B VAL 47  ? B VAL 33  
4 1 Y 1 B GLY 48  ? B GLY 34  
5 1 Y 1 B PRO 135 ? B PRO 121 
6 1 Y 1 C ALA 15  ? C ALA 1   
7 1 Y 1 D ALA 15  ? D ALA 1   
8 1 Y 1 D PRO 135 ? D PRO 121 
# 
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  
DMS S    S N N 74  
DMS O    O N N 75  
DMS C1   C N N 76  
DMS C2   C N N 77  
DMS H11  H N N 78  
DMS H12  H N N 79  
DMS H13  H N N 80  
DMS H21  H N N 81  
DMS H22  H N N 82  
DMS H23  H N N 83  
GLN N    N N N 84  
GLN CA   C N S 85  
GLN C    C N N 86  
GLN O    O N N 87  
GLN CB   C N N 88  
GLN CG   C N N 89  
GLN CD   C N N 90  
GLN OE1  O N N 91  
GLN NE2  N N N 92  
GLN OXT  O N N 93  
GLN H    H N N 94  
GLN H2   H N N 95  
GLN HA   H N N 96  
GLN HB2  H N N 97  
GLN HB3  H N N 98  
GLN HG2  H N N 99  
GLN HG3  H N N 100 
GLN HE21 H N N 101 
GLN HE22 H N N 102 
GLN HXT  H N N 103 
GLU N    N N N 104 
GLU CA   C N S 105 
GLU C    C N N 106 
GLU O    O N N 107 
GLU CB   C N N 108 
GLU CG   C N N 109 
GLU CD   C N N 110 
GLU OE1  O N N 111 
GLU OE2  O N N 112 
GLU OXT  O N N 113 
GLU H    H N N 114 
GLU H2   H N N 115 
GLU HA   H N N 116 
GLU HB2  H N N 117 
GLU HB3  H N N 118 
GLU HG2  H N N 119 
GLU HG3  H N N 120 
GLU HE2  H N N 121 
GLU HXT  H N N 122 
GLY N    N N N 123 
GLY CA   C N N 124 
GLY C    C N N 125 
GLY O    O N N 126 
GLY OXT  O N N 127 
GLY H    H N N 128 
GLY H2   H N N 129 
GLY HA2  H N N 130 
GLY HA3  H N N 131 
GLY HXT  H N N 132 
GOL C1   C N N 133 
GOL O1   O N N 134 
GOL C2   C N N 135 
GOL O2   O N N 136 
GOL C3   C N N 137 
GOL O3   O N N 138 
GOL H11  H N N 139 
GOL H12  H N N 140 
GOL HO1  H N N 141 
GOL H2   H N N 142 
GOL HO2  H N N 143 
GOL H31  H N N 144 
GOL H32  H N N 145 
GOL HO3  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
PHE N    N N N 240 
PHE CA   C N S 241 
PHE C    C N N 242 
PHE O    O N N 243 
PHE CB   C N N 244 
PHE CG   C Y N 245 
PHE CD1  C Y N 246 
PHE CD2  C Y N 247 
PHE CE1  C Y N 248 
PHE CE2  C Y N 249 
PHE CZ   C Y N 250 
PHE OXT  O N N 251 
PHE H    H N N 252 
PHE H2   H N N 253 
PHE HA   H N N 254 
PHE HB2  H N N 255 
PHE HB3  H N N 256 
PHE HD1  H N N 257 
PHE HD2  H N N 258 
PHE HE1  H N N 259 
PHE HE2  H N N 260 
PHE HZ   H N N 261 
PHE HXT  H N N 262 
PRO N    N N N 263 
PRO CA   C N S 264 
PRO C    C N N 265 
PRO O    O N N 266 
PRO CB   C N N 267 
PRO CG   C N N 268 
PRO CD   C N N 269 
PRO OXT  O N N 270 
PRO H    H N N 271 
PRO HA   H N N 272 
PRO HB2  H N N 273 
PRO HB3  H N N 274 
PRO HG2  H N N 275 
PRO HG3  H N N 276 
PRO HD2  H N N 277 
PRO HD3  H N N 278 
PRO HXT  H N N 279 
SER N    N N N 280 
SER CA   C N S 281 
SER C    C N N 282 
SER O    O N N 283 
SER CB   C N N 284 
SER OG   O N N 285 
SER OXT  O N N 286 
SER H    H N N 287 
SER H2   H N N 288 
SER HA   H N N 289 
SER HB2  H N N 290 
SER HB3  H N N 291 
SER HG   H N N 292 
SER HXT  H N N 293 
THR N    N N N 294 
THR CA   C N S 295 
THR C    C N N 296 
THR O    O N N 297 
THR CB   C N R 298 
THR OG1  O N N 299 
THR CG2  C N N 300 
THR OXT  O N N 301 
THR H    H N N 302 
THR H2   H N N 303 
THR HA   H N N 304 
THR HB   H N N 305 
THR HG1  H N N 306 
THR HG21 H N N 307 
THR HG22 H N N 308 
THR HG23 H N N 309 
THR HXT  H N N 310 
TRP N    N N N 311 
TRP CA   C N S 312 
TRP C    C N N 313 
TRP O    O N N 314 
TRP CB   C N N 315 
TRP CG   C Y N 316 
TRP CD1  C Y N 317 
TRP CD2  C Y N 318 
TRP NE1  N Y N 319 
TRP CE2  C Y N 320 
TRP CE3  C Y N 321 
TRP CZ2  C Y N 322 
TRP CZ3  C Y N 323 
TRP CH2  C Y N 324 
TRP OXT  O N N 325 
TRP H    H N N 326 
TRP H2   H N N 327 
TRP HA   H N N 328 
TRP HB2  H N N 329 
TRP HB3  H N N 330 
TRP HD1  H N N 331 
TRP HE1  H N N 332 
TRP HE3  H N N 333 
TRP HZ2  H N N 334 
TRP HZ3  H N N 335 
TRP HH2  H N N 336 
TRP HXT  H N N 337 
TYR N    N N N 338 
TYR CA   C N S 339 
TYR C    C N N 340 
TYR O    O N N 341 
TYR CB   C N N 342 
TYR CG   C Y N 343 
TYR CD1  C Y N 344 
TYR CD2  C Y N 345 
TYR CE1  C Y N 346 
TYR CE2  C Y N 347 
TYR CZ   C Y N 348 
TYR OH   O N N 349 
TYR OXT  O N N 350 
TYR H    H N N 351 
TYR H2   H N N 352 
TYR HA   H N N 353 
TYR HB2  H N N 354 
TYR HB3  H N N 355 
TYR HD1  H N N 356 
TYR HD2  H N N 357 
TYR HE1  H N N 358 
TYR HE2  H N N 359 
TYR HH   H N N 360 
TYR HXT  H N N 361 
VAL N    N N N 362 
VAL CA   C N S 363 
VAL C    C N N 364 
VAL O    O N N 365 
VAL CB   C N N 366 
VAL CG1  C N N 367 
VAL CG2  C N N 368 
VAL OXT  O N N 369 
VAL H    H N N 370 
VAL H2   H N N 371 
VAL HA   H N N 372 
VAL HB   H N N 373 
VAL HG11 H N N 374 
VAL HG12 H N N 375 
VAL HG13 H N N 376 
VAL HG21 H N N 377 
VAL HG22 H N N 378 
VAL HG23 H N N 379 
VAL HXT  H N N 380 
# 
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  
DMS S   O    doub N N 70  
DMS S   C1   sing N N 71  
DMS S   C2   sing N N 72  
DMS C1  H11  sing N N 73  
DMS C1  H12  sing N N 74  
DMS C1  H13  sing N N 75  
DMS C2  H21  sing N N 76  
DMS C2  H22  sing N N 77  
DMS C2  H23  sing N N 78  
GLN N   CA   sing N N 79  
GLN N   H    sing N N 80  
GLN N   H2   sing N N 81  
GLN CA  C    sing N N 82  
GLN CA  CB   sing N N 83  
GLN CA  HA   sing N N 84  
GLN C   O    doub N N 85  
GLN C   OXT  sing N N 86  
GLN CB  CG   sing N N 87  
GLN CB  HB2  sing N N 88  
GLN CB  HB3  sing N N 89  
GLN CG  CD   sing N N 90  
GLN CG  HG2  sing N N 91  
GLN CG  HG3  sing N N 92  
GLN CD  OE1  doub N N 93  
GLN CD  NE2  sing N N 94  
GLN NE2 HE21 sing N N 95  
GLN NE2 HE22 sing N N 96  
GLN OXT HXT  sing N N 97  
GLU N   CA   sing N N 98  
GLU N   H    sing N N 99  
GLU N   H2   sing N N 100 
GLU CA  C    sing N N 101 
GLU CA  CB   sing N N 102 
GLU CA  HA   sing N N 103 
GLU C   O    doub N N 104 
GLU C   OXT  sing N N 105 
GLU CB  CG   sing N N 106 
GLU CB  HB2  sing N N 107 
GLU CB  HB3  sing N N 108 
GLU CG  CD   sing N N 109 
GLU CG  HG2  sing N N 110 
GLU CG  HG3  sing N N 111 
GLU CD  OE1  doub N N 112 
GLU CD  OE2  sing N N 113 
GLU OE2 HE2  sing N N 114 
GLU OXT HXT  sing N N 115 
GLY N   CA   sing N N 116 
GLY N   H    sing N N 117 
GLY N   H2   sing N N 118 
GLY CA  C    sing N N 119 
GLY CA  HA2  sing N N 120 
GLY CA  HA3  sing N N 121 
GLY C   O    doub N N 122 
GLY C   OXT  sing N N 123 
GLY OXT HXT  sing N N 124 
GOL C1  O1   sing N N 125 
GOL C1  C2   sing N N 126 
GOL C1  H11  sing N N 127 
GOL C1  H12  sing N N 128 
GOL O1  HO1  sing N N 129 
GOL C2  O2   sing N N 130 
GOL C2  C3   sing N N 131 
GOL C2  H2   sing N N 132 
GOL O2  HO2  sing N N 133 
GOL C3  O3   sing N N 134 
GOL C3  H31  sing N N 135 
GOL C3  H32  sing N N 136 
GOL O3  HO3  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
PHE N   CA   sing N N 227 
PHE N   H    sing N N 228 
PHE N   H2   sing N N 229 
PHE CA  C    sing N N 230 
PHE CA  CB   sing N N 231 
PHE CA  HA   sing N N 232 
PHE C   O    doub N N 233 
PHE C   OXT  sing N N 234 
PHE CB  CG   sing N N 235 
PHE CB  HB2  sing N N 236 
PHE CB  HB3  sing N N 237 
PHE CG  CD1  doub Y N 238 
PHE CG  CD2  sing Y N 239 
PHE CD1 CE1  sing Y N 240 
PHE CD1 HD1  sing N N 241 
PHE CD2 CE2  doub Y N 242 
PHE CD2 HD2  sing N N 243 
PHE CE1 CZ   doub Y N 244 
PHE CE1 HE1  sing N N 245 
PHE CE2 CZ   sing Y N 246 
PHE CE2 HE2  sing N N 247 
PHE CZ  HZ   sing N N 248 
PHE OXT HXT  sing N N 249 
PRO N   CA   sing N N 250 
PRO N   CD   sing N N 251 
PRO N   H    sing N N 252 
PRO CA  C    sing N N 253 
PRO CA  CB   sing N N 254 
PRO CA  HA   sing N N 255 
PRO C   O    doub N N 256 
PRO C   OXT  sing N N 257 
PRO CB  CG   sing N N 258 
PRO CB  HB2  sing N N 259 
PRO CB  HB3  sing N N 260 
PRO CG  CD   sing N N 261 
PRO CG  HG2  sing N N 262 
PRO CG  HG3  sing N N 263 
PRO CD  HD2  sing N N 264 
PRO CD  HD3  sing N N 265 
PRO OXT HXT  sing N N 266 
SER N   CA   sing N N 267 
SER N   H    sing N N 268 
SER N   H2   sing N N 269 
SER CA  C    sing N N 270 
SER CA  CB   sing N N 271 
SER CA  HA   sing N N 272 
SER C   O    doub N N 273 
SER C   OXT  sing N N 274 
SER CB  OG   sing N N 275 
SER CB  HB2  sing N N 276 
SER CB  HB3  sing N N 277 
SER OG  HG   sing N N 278 
SER OXT HXT  sing N N 279 
THR N   CA   sing N N 280 
THR N   H    sing N N 281 
THR N   H2   sing N N 282 
THR CA  C    sing N N 283 
THR CA  CB   sing N N 284 
THR CA  HA   sing N N 285 
THR C   O    doub N N 286 
THR C   OXT  sing N N 287 
THR CB  OG1  sing N N 288 
THR CB  CG2  sing N N 289 
THR CB  HB   sing N N 290 
THR OG1 HG1  sing N N 291 
THR CG2 HG21 sing N N 292 
THR CG2 HG22 sing N N 293 
THR CG2 HG23 sing N N 294 
THR OXT HXT  sing N N 295 
TRP N   CA   sing N N 296 
TRP N   H    sing N N 297 
TRP N   H2   sing N N 298 
TRP CA  C    sing N N 299 
TRP CA  CB   sing N N 300 
TRP CA  HA   sing N N 301 
TRP C   O    doub N N 302 
TRP C   OXT  sing N N 303 
TRP CB  CG   sing N N 304 
TRP CB  HB2  sing N N 305 
TRP CB  HB3  sing N N 306 
TRP CG  CD1  doub Y N 307 
TRP CG  CD2  sing Y N 308 
TRP CD1 NE1  sing Y N 309 
TRP CD1 HD1  sing N N 310 
TRP CD2 CE2  doub Y N 311 
TRP CD2 CE3  sing Y N 312 
TRP NE1 CE2  sing Y N 313 
TRP NE1 HE1  sing N N 314 
TRP CE2 CZ2  sing Y N 315 
TRP CE3 CZ3  doub Y N 316 
TRP CE3 HE3  sing N N 317 
TRP CZ2 CH2  doub Y N 318 
TRP CZ2 HZ2  sing N N 319 
TRP CZ3 CH2  sing Y N 320 
TRP CZ3 HZ3  sing N N 321 
TRP CH2 HH2  sing N N 322 
TRP OXT HXT  sing N N 323 
TYR N   CA   sing N N 324 
TYR N   H    sing N N 325 
TYR N   H2   sing N N 326 
TYR CA  C    sing N N 327 
TYR CA  CB   sing N N 328 
TYR CA  HA   sing N N 329 
TYR C   O    doub N N 330 
TYR C   OXT  sing N N 331 
TYR CB  CG   sing N N 332 
TYR CB  HB2  sing N N 333 
TYR CB  HB3  sing N N 334 
TYR CG  CD1  doub Y N 335 
TYR CG  CD2  sing Y N 336 
TYR CD1 CE1  sing Y N 337 
TYR CD1 HD1  sing N N 338 
TYR CD2 CE2  doub Y N 339 
TYR CD2 HD2  sing N N 340 
TYR CE1 CZ   doub Y N 341 
TYR CE1 HE1  sing N N 342 
TYR CE2 CZ   sing Y N 343 
TYR CE2 HE2  sing N N 344 
TYR CZ  OH   sing N N 345 
TYR OH  HH   sing N N 346 
TYR OXT HXT  sing N N 347 
VAL N   CA   sing N N 348 
VAL N   H    sing N N 349 
VAL N   H2   sing N N 350 
VAL CA  C    sing N N 351 
VAL CA  CB   sing N N 352 
VAL CA  HA   sing N N 353 
VAL C   O    doub N N 354 
VAL C   OXT  sing N N 355 
VAL CB  CG1  sing N N 356 
VAL CB  CG2  sing N N 357 
VAL CB  HB   sing N N 358 
VAL CG1 HG11 sing N N 359 
VAL CG1 HG12 sing N N 360 
VAL CG1 HG13 sing N N 361 
VAL CG2 HG21 sing N N 362 
VAL CG2 HG22 sing N N 363 
VAL CG2 HG23 sing N N 364 
VAL OXT HXT  sing N N 365 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                Japan 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5b5g 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8Y28 
_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]   0.021429 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.003344 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.011689 
_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]   0.017347 
_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 
C 
N 
O 
S 
# 
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 2   ? 8.348   -28.048 13.754  1.00 25.63 ? 16  GLY A N   1 
ATOM   2    C CA  . GLY A 1 2   ? 8.782   -27.078 12.765  1.00 23.25 ? 16  GLY A CA  1 
ATOM   3    C C   . GLY A 1 2   ? 7.789   -25.959 12.499  1.00 20.20 ? 16  GLY A C   1 
ATOM   4    O O   . GLY A 1 2   ? 6.759   -25.856 13.158  1.00 21.51 ? 16  GLY A O   1 
ATOM   5    N N   . ILE A 1 3   ? 8.114   -25.114 11.518  1.00 18.76 ? 17  ILE A N   1 
ATOM   6    C CA  . ILE A 1 3   ? 7.270   -23.968 11.192  1.00 17.75 ? 17  ILE A CA  1 
ATOM   7    C C   . ILE A 1 3   ? 5.978   -24.409 10.511  1.00 16.20 ? 17  ILE A C   1 
ATOM   8    O O   . ILE A 1 3   ? 4.905   -23.853 10.776  1.00 15.96 ? 17  ILE A O   1 
ATOM   9    C CB  . ILE A 1 3   ? 8.058   -22.960 10.337  1.00 17.33 ? 17  ILE A CB  1 
ATOM   10   C CG1 . ILE A 1 3   ? 9.132   -22.269 11.175  1.00 18.34 ? 17  ILE A CG1 1 
ATOM   11   C CG2 . ILE A 1 3   ? 7.124   -21.945 9.685   1.00 18.92 ? 17  ILE A CG2 1 
ATOM   12   C CD1 . ILE A 1 3   ? 10.142  -21.513 10.335  1.00 17.72 ? 17  ILE A CD1 1 
ATOM   13   N N   . THR A 1 4   ? 6.054   -25.398 9.619   1.00 16.34 ? 18  THR A N   1 
ATOM   14   C CA  . THR A 1 4   ? 4.862   -25.855 8.912   1.00 16.17 ? 18  THR A CA  1 
ATOM   15   C C   . THR A 1 4   ? 3.791   -26.304 9.901   1.00 15.67 ? 18  THR A C   1 
ATOM   16   O O   . THR A 1 4   ? 4.067   -27.072 10.828  1.00 17.14 ? 18  THR A O   1 
ATOM   17   C CB  . THR A 1 4   ? 5.228   -27.006 7.975   1.00 15.62 ? 18  THR A CB  1 
ATOM   18   O OG1 . THR A 1 4   ? 6.154   -26.535 6.989   1.00 16.54 ? 18  THR A OG1 1 
ATOM   19   C CG2 . THR A 1 4   ? 3.983   -27.554 7.278   1.00 16.01 ? 18  THR A CG2 1 
ATOM   20   N N   . GLY A 1 5   ? 2.575   -25.810 9.713   1.00 15.10 ? 19  GLY A N   1 
ATOM   21   C CA  . GLY A 1 5   ? 1.462   -26.192 10.557  1.00 14.98 ? 19  GLY A CA  1 
ATOM   22   C C   . GLY A 1 5   ? 0.434   -25.081 10.660  1.00 14.67 ? 19  GLY A C   1 
ATOM   23   O O   . GLY A 1 5   ? 0.461   -24.103 9.918   1.00 14.73 ? 19  GLY A O   1 
ATOM   24   N N   . THR A 1 6   ? -0.486  -25.258 11.605  1.00 15.08 ? 20  THR A N   1 
ATOM   25   C CA  . THR A 1 6   ? -1.533  -24.283 11.888  1.00 14.94 ? 20  THR A CA  1 
ATOM   26   C C   . THR A 1 6   ? -1.242  -23.625 13.231  1.00 14.60 ? 20  THR A C   1 
ATOM   27   O O   . THR A 1 6   ? -1.118  -24.315 14.249  1.00 15.65 ? 20  THR A O   1 
ATOM   28   C CB  . THR A 1 6   ? -2.908  -24.953 11.902  1.00 17.80 ? 20  THR A CB  1 
ATOM   29   O OG1 . THR A 1 6   ? -3.211  -25.451 10.592  1.00 18.36 ? 20  THR A OG1 1 
ATOM   30   C CG2 . THR A 1 6   ? -3.991  -23.966 12.329  1.00 17.49 ? 20  THR A CG2 1 
ATOM   31   N N   . TRP A 1 7   ? -1.149  -22.296 13.225  1.00 15.03 ? 21  TRP A N   1 
ATOM   32   C CA  . TRP A 1 7   ? -0.790  -21.493 14.385  1.00 13.78 ? 21  TRP A CA  1 
ATOM   33   C C   . TRP A 1 7   ? -1.919  -20.521 14.712  1.00 13.39 ? 21  TRP A C   1 
ATOM   34   O O   . TRP A 1 7   ? -2.721  -20.154 13.847  1.00 14.06 ? 21  TRP A O   1 
ATOM   35   C CB  . TRP A 1 7   ? 0.478   -20.673 14.102  1.00 14.60 ? 21  TRP A CB  1 
ATOM   36   C CG  . TRP A 1 7   ? 1.707   -21.483 13.799  1.00 14.15 ? 21  TRP A CG  1 
ATOM   37   C CD1 . TRP A 1 7   ? 2.046   -22.037 12.597  1.00 14.75 ? 21  TRP A CD1 1 
ATOM   38   C CD2 . TRP A 1 7   ? 2.767   -21.814 14.708  1.00 15.30 ? 21  TRP A CD2 1 
ATOM   39   N NE1 . TRP A 1 7   ? 3.251   -22.692 12.701  1.00 15.30 ? 21  TRP A NE1 1 
ATOM   40   C CE2 . TRP A 1 7   ? 3.712   -22.574 13.987  1.00 15.27 ? 21  TRP A CE2 1 
ATOM   41   C CE3 . TRP A 1 7   ? 3.008   -21.541 16.060  1.00 15.30 ? 21  TRP A CE3 1 
ATOM   42   C CZ2 . TRP A 1 7   ? 4.878   -23.065 14.574  1.00 16.49 ? 21  TRP A CZ2 1 
ATOM   43   C CZ3 . TRP A 1 7   ? 4.162   -22.033 16.644  1.00 17.11 ? 21  TRP A CZ3 1 
ATOM   44   C CH2 . TRP A 1 7   ? 5.081   -22.786 15.902  1.00 16.94 ? 21  TRP A CH2 1 
ATOM   45   N N   . TYR A 1 8   ? -1.960  -20.084 15.972  1.00 13.88 ? 22  TYR A N   1 
ATOM   46   C CA  . TYR A 1 8   ? -2.942  -19.116 16.445  1.00 14.01 ? 22  TYR A CA  1 
ATOM   47   C C   . TYR A 1 8   ? -2.223  -18.041 17.241  1.00 13.79 ? 22  TYR A C   1 
ATOM   48   O O   . TYR A 1 8   ? -1.336  -18.350 18.039  1.00 14.23 ? 22  TYR A O   1 
ATOM   49   C CB  . TYR A 1 8   ? -4.000  -19.780 17.354  1.00 15.57 ? 22  TYR A CB  1 
ATOM   50   C CG  . TYR A 1 8   ? -4.688  -20.947 16.692  1.00 15.66 ? 22  TYR A CG  1 
ATOM   51   C CD1 . TYR A 1 8   ? -5.795  -20.753 15.876  1.00 16.44 ? 22  TYR A CD1 1 
ATOM   52   C CD2 . TYR A 1 8   ? -4.209  -22.239 16.851  1.00 16.63 ? 22  TYR A CD2 1 
ATOM   53   C CE1 . TYR A 1 8   ? -6.416  -21.815 15.250  1.00 17.25 ? 22  TYR A CE1 1 
ATOM   54   C CE2 . TYR A 1 8   ? -4.821  -23.306 16.231  1.00 17.99 ? 22  TYR A CE2 1 
ATOM   55   C CZ  . TYR A 1 8   ? -5.924  -23.090 15.431  1.00 18.28 ? 22  TYR A CZ  1 
ATOM   56   O OH  . TYR A 1 8   ? -6.529  -24.154 14.810  1.00 18.67 ? 22  TYR A OH  1 
ATOM   57   N N   . ASN A 1 9   ? -2.596  -16.779 17.030  1.00 13.10 ? 23  ASN A N   1 
ATOM   58   C CA  . ASN A 1 9   ? -2.023  -15.717 17.847  1.00 12.78 ? 23  ASN A CA  1 
ATOM   59   C C   . ASN A 1 9   ? -2.843  -15.476 19.120  1.00 14.23 ? 23  ASN A C   1 
ATOM   60   O O   . ASN A 1 9   ? -3.851  -16.139 19.394  1.00 14.83 ? 23  ASN A O   1 
ATOM   61   C CB  . ASN A 1 9   ? -1.725  -14.451 17.030  1.00 14.00 ? 23  ASN A CB  1 
ATOM   62   C CG  . ASN A 1 9   ? -2.953  -13.576 16.781  1.00 14.27 ? 23  ASN A CG  1 
ATOM   63   O OD1 . ASN A 1 9   ? -4.070  -13.865 17.225  1.00 13.73 ? 23  ASN A OD1 1 
ATOM   64   N ND2 . ASN A 1 9   ? -2.734  -12.472 16.080  1.00 14.65 ? 23  ASN A ND2 1 
ATOM   65   N N   . GLN A 1 10  ? -2.396  -14.492 19.903  1.00 15.57 ? 24  GLN A N   1 
ATOM   66   C CA  . GLN A 1 10  ? -2.987  -14.218 21.208  1.00 14.97 ? 24  GLN A CA  1 
ATOM   67   C C   . GLN A 1 10  ? -4.424  -13.726 21.109  1.00 15.24 ? 24  GLN A C   1 
ATOM   68   O O   . GLN A 1 10  ? -5.160  -13.777 22.105  1.00 17.77 ? 24  GLN A O   1 
ATOM   69   C CB  . GLN A 1 10  ? -2.117  -13.217 21.980  1.00 14.82 ? 24  GLN A CB  1 
ATOM   70   C CG  . GLN A 1 10  ? -2.164  -11.771 21.468  1.00 14.36 ? 24  GLN A CG  1 
ATOM   71   C CD  . GLN A 1 10  ? -1.379  -11.540 20.180  1.00 14.01 ? 24  GLN A CD  1 
ATOM   72   O OE1 . GLN A 1 10  ? -0.648  -12.412 19.697  1.00 15.02 ? 24  GLN A OE1 1 
ATOM   73   N NE2 . GLN A 1 10  ? -1.531  -10.347 19.620  1.00 14.22 ? 24  GLN A NE2 1 
ATOM   74   N N   . LEU A 1 11  ? -4.842  -13.252 19.939  1.00 15.58 ? 25  LEU A N   1 
ATOM   75   C CA  . LEU A 1 11  ? -6.215  -12.827 19.715  1.00 16.83 ? 25  LEU A CA  1 
ATOM   76   C C   . LEU A 1 11  ? -7.064  -13.891 19.036  1.00 16.61 ? 25  LEU A C   1 
ATOM   77   O O   . LEU A 1 11  ? -8.265  -13.675 18.840  1.00 18.17 ? 25  LEU A O   1 
ATOM   78   C CB  . LEU A 1 11  ? -6.245  -11.525 18.910  1.00 19.96 ? 25  LEU A CB  1 
ATOM   79   C CG  . LEU A 1 11  ? -5.470  -10.371 19.553  1.00 22.89 ? 25  LEU A CG  1 
ATOM   80   C CD1 . LEU A 1 11  ? -5.512  -9.122  18.688  1.00 24.14 ? 25  LEU A CD1 1 
ATOM   81   C CD2 . LEU A 1 11  ? -6.005  -10.074 20.947  1.00 24.86 ? 25  LEU A CD2 1 
ATOM   82   N N   . GLY A 1 12  ? -6.485  -15.036 18.691  1.00 16.88 ? 26  GLY A N   1 
ATOM   83   C CA  . GLY A 1 12  ? -7.223  -16.089 18.024  1.00 16.45 ? 26  GLY A CA  1 
ATOM   84   C C   . GLY A 1 12  ? -7.198  -16.056 16.511  1.00 16.64 ? 26  GLY A C   1 
ATOM   85   O O   . GLY A 1 12  ? -7.951  -16.812 15.885  1.00 18.07 ? 26  GLY A O   1 
ATOM   86   N N   . SER A 1 13  ? -6.377  -15.201 15.900  1.00 15.45 ? 27  SER A N   1 
ATOM   87   C CA  . SER A 1 13  ? -6.193  -15.261 14.455  1.00 14.31 ? 27  SER A CA  1 
ATOM   88   C C   . SER A 1 13  ? -5.531  -16.585 14.075  1.00 14.33 ? 27  SER A C   1 
ATOM   89   O O   . SER A 1 13  ? -4.771  -17.162 14.854  1.00 15.50 ? 27  SER A O   1 
ATOM   90   C CB  . SER A 1 13  ? -5.324  -14.095 13.977  1.00 14.35 ? 27  SER A CB  1 
ATOM   91   O OG  . SER A 1 13  ? -5.940  -12.841 14.235  1.00 14.38 ? 27  SER A OG  1 
ATOM   92   N N   . THR A 1 14  ? -5.818  -17.061 12.860  1.00 14.00 ? 28  THR A N   1 
ATOM   93   C CA  . THR A 1 14  ? -5.375  -18.375 12.393  1.00 14.67 ? 28  THR A CA  1 
ATOM   94   C C   . THR A 1 14  ? -4.371  -18.212 11.254  1.00 13.66 ? 28  THR A C   1 
ATOM   95   O O   . THR A 1 14  ? -4.678  -17.591 10.230  1.00 14.74 ? 28  THR A O   1 
ATOM   96   C CB  . THR A 1 14  ? -6.562  -19.227 11.931  1.00 15.78 ? 28  THR A CB  1 
ATOM   97   O OG1 . THR A 1 14  ? -7.523  -19.333 12.987  1.00 16.00 ? 28  THR A OG1 1 
ATOM   98   C CG2 . THR A 1 14  ? -6.105  -20.626 11.551  1.00 17.42 ? 28  THR A CG2 1 
ATOM   99   N N   . PHE A 1 15  ? -3.188  -18.800 11.426  1.00 12.64 ? 29  PHE A N   1 
ATOM   100  C CA  . PHE A 1 15  ? -2.050  -18.671 10.518  1.00 13.24 ? 29  PHE A CA  1 
ATOM   101  C C   . PHE A 1 15  ? -1.702  -20.083 10.061  1.00 12.96 ? 29  PHE A C   1 
ATOM   102  O O   . PHE A 1 15  ? -1.173  -20.882 10.843  1.00 14.22 ? 29  PHE A O   1 
ATOM   103  C CB  . PHE A 1 15  ? -0.910  -18.007 11.303  1.00 13.69 ? 29  PHE A CB  1 
ATOM   104  C CG  . PHE A 1 15  ? 0.443   -17.995 10.615  1.00 13.35 ? 29  PHE A CG  1 
ATOM   105  C CD1 . PHE A 1 15  ? 0.579   -17.713 9.259   1.00 12.64 ? 29  PHE A CD1 1 
ATOM   106  C CD2 . PHE A 1 15  ? 1.601   -18.202 11.366  1.00 13.42 ? 29  PHE A CD2 1 
ATOM   107  C CE1 . PHE A 1 15  ? 1.843   -17.677 8.663   1.00 12.82 ? 29  PHE A CE1 1 
ATOM   108  C CE2 . PHE A 1 15  ? 2.852   -18.165 10.779  1.00 14.03 ? 29  PHE A CE2 1 
ATOM   109  C CZ  . PHE A 1 15  ? 2.977   -17.901 9.430   1.00 13.66 ? 29  PHE A CZ  1 
ATOM   110  N N   . ILE A 1 16  ? -2.018  -20.402 8.808   1.00 12.88 ? 30  ILE A N   1 
ATOM   111  C CA  . ILE A 1 16  ? -1.798  -21.731 8.247   1.00 13.35 ? 30  ILE A CA  1 
ATOM   112  C C   . ILE A 1 16  ? -0.646  -21.598 7.260   1.00 13.24 ? 30  ILE A C   1 
ATOM   113  O O   . ILE A 1 16  ? -0.766  -20.900 6.245   1.00 15.48 ? 30  ILE A O   1 
ATOM   114  C CB  . ILE A 1 16  ? -3.063  -22.272 7.567   1.00 14.80 ? 30  ILE A CB  1 
ATOM   115  C CG1 . ILE A 1 16  ? -4.222  -22.340 8.576   1.00 15.39 ? 30  ILE A CG1 1 
ATOM   116  C CG2 . ILE A 1 16  ? -2.794  -23.639 6.960   1.00 16.13 ? 30  ILE A CG2 1 
ATOM   117  C CD1 . ILE A 1 16  ? -5.569  -22.738 7.975   1.00 17.13 ? 30  ILE A CD1 1 
ATOM   118  N N   . VAL A 1 17  ? 0.488   -22.234 7.557   1.00 13.13 ? 31  VAL A N   1 
ATOM   119  C CA  . VAL A 1 17  ? 1.720   -21.961 6.825   1.00 14.01 ? 31  VAL A CA  1 
ATOM   120  C C   . VAL A 1 17  ? 2.415   -23.260 6.445   1.00 14.50 ? 31  VAL A C   1 
ATOM   121  O O   . VAL A 1 17  ? 2.361   -24.260 7.168   1.00 15.39 ? 31  VAL A O   1 
ATOM   122  C CB  . VAL A 1 17  ? 2.648   -21.024 7.640   1.00 15.49 ? 31  VAL A CB  1 
ATOM   123  C CG1 . VAL A 1 17  ? 3.210   -21.735 8.872   1.00 16.17 ? 31  VAL A CG1 1 
ATOM   124  C CG2 . VAL A 1 17  ? 3.767   -20.475 6.763   1.00 14.15 ? 31  VAL A CG2 1 
ATOM   125  N N   . THR A 1 18  ? 3.075   -23.236 5.289   1.00 14.77 ? 32  THR A N   1 
ATOM   126  C CA  . THR A 1 18  ? 3.961   -24.302 4.850   1.00 15.45 ? 32  THR A CA  1 
ATOM   127  C C   . THR A 1 18  ? 5.336   -23.701 4.609   1.00 14.94 ? 32  THR A C   1 
ATOM   128  O O   . THR A 1 18  ? 5.462   -22.696 3.900   1.00 15.16 ? 32  THR A O   1 
ATOM   129  C CB  . THR A 1 18  ? 3.442   -24.948 3.560   1.00 16.30 ? 32  THR A CB  1 
ATOM   130  O OG1 . THR A 1 18  ? 2.182   -25.579 3.818   1.00 18.71 ? 32  THR A OG1 1 
ATOM   131  C CG2 . THR A 1 18  ? 4.430   -25.986 3.042   1.00 17.77 ? 32  THR A CG2 1 
ATOM   132  N N   . ALA A 1 19  ? 6.356   -24.302 5.219   1.00 15.63 ? 33  ALA A N   1 
ATOM   133  C CA  . ALA A 1 19  ? 7.740   -23.866 5.072   1.00 16.49 ? 33  ALA A CA  1 
ATOM   134  C C   . ALA A 1 19  ? 8.421   -24.818 4.097   1.00 18.67 ? 33  ALA A C   1 
ATOM   135  O O   . ALA A 1 19  ? 8.671   -25.981 4.429   1.00 21.04 ? 33  ALA A O   1 
ATOM   136  C CB  . ALA A 1 19  ? 8.447   -23.870 6.427   1.00 17.66 ? 33  ALA A CB  1 
ATOM   137  N N   . GLY A 1 20  ? 8.710   -24.326 2.890   1.00 18.30 ? 34  GLY A N   1 
ATOM   138  C CA  . GLY A 1 20  ? 9.308   -25.163 1.873   1.00 20.34 ? 34  GLY A CA  1 
ATOM   139  C C   . GLY A 1 20  ? 10.812  -25.273 2.017   1.00 21.93 ? 34  GLY A C   1 
ATOM   140  O O   . GLY A 1 20  ? 11.469  -24.449 2.653   1.00 22.74 ? 34  GLY A O   1 
ATOM   141  N N   . ALA A 1 21  ? 11.363  -26.323 1.405   1.00 23.77 ? 35  ALA A N   1 
ATOM   142  C CA  . ALA A 1 21  ? 12.797  -26.581 1.509   1.00 25.76 ? 35  ALA A CA  1 
ATOM   143  C C   . ALA A 1 21  ? 13.645  -25.437 0.965   1.00 28.05 ? 35  ALA A C   1 
ATOM   144  O O   . ALA A 1 21  ? 14.819  -25.320 1.337   1.00 30.69 ? 35  ALA A O   1 
ATOM   145  C CB  . ALA A 1 21  ? 13.148  -27.892 0.803   1.00 25.60 ? 35  ALA A CB  1 
ATOM   146  N N   . ASP A 1 22  ? 13.083  -24.591 0.104   1.00 27.44 ? 36  ASP A N   1 
ATOM   147  C CA  . ASP A 1 22  ? 13.818  -23.500 -0.520  1.00 27.46 ? 36  ASP A CA  1 
ATOM   148  C C   . ASP A 1 22  ? 13.748  -22.193 0.263   1.00 24.11 ? 36  ASP A C   1 
ATOM   149  O O   . ASP A 1 22  ? 14.196  -21.161 -0.244  1.00 25.52 ? 36  ASP A O   1 
ATOM   150  C CB  . ASP A 1 22  ? 13.315  -23.273 -1.948  1.00 30.50 ? 36  ASP A CB  1 
ATOM   151  C CG  . ASP A 1 22  ? 11.839  -22.918 -1.999  1.00 32.34 ? 36  ASP A CG  1 
ATOM   152  O OD1 . ASP A 1 22  ? 11.162  -22.984 -0.947  1.00 30.45 ? 36  ASP A OD1 1 
ATOM   153  O OD2 . ASP A 1 22  ? 11.355  -22.567 -3.096  1.00 34.73 ? 36  ASP A OD2 1 
ATOM   154  N N   . GLY A 1 23  ? 13.185  -22.204 1.472   1.00 19.93 ? 37  GLY A N   1 
ATOM   155  C CA  . GLY A 1 23  ? 13.054  -20.993 2.253   1.00 17.56 ? 37  GLY A CA  1 
ATOM   156  C C   . GLY A 1 23  ? 11.747  -20.255 2.067   1.00 15.99 ? 37  GLY A C   1 
ATOM   157  O O   . GLY A 1 23  ? 11.575  -19.168 2.640   1.00 15.03 ? 37  GLY A O   1 
ATOM   158  N N   . ALA A 1 24  ? 10.818  -20.806 1.295   1.00 14.68 ? 38  ALA A N   1 
ATOM   159  C CA  . ALA A 1 24  ? 9.556   -20.138 1.018   1.00 14.91 ? 38  ALA A CA  1 
ATOM   160  C C   . ALA A 1 24  ? 8.535   -20.405 2.122   1.00 14.67 ? 38  ALA A C   1 
ATOM   161  O O   . ALA A 1 24  ? 8.449   -21.515 2.655   1.00 15.52 ? 38  ALA A O   1 
ATOM   162  C CB  . ALA A 1 24  ? 9.007   -20.610 -0.329  1.00 15.99 ? 38  ALA A CB  1 
ATOM   163  N N   . LEU A 1 25  ? 7.767   -19.374 2.465   1.00 13.46 ? 39  LEU A N   1 
ATOM   164  C CA  . LEU A 1 25  ? 6.557   -19.515 3.268   1.00 13.15 ? 39  LEU A CA  1 
ATOM   165  C C   . LEU A 1 25  ? 5.343   -19.249 2.388   1.00 13.66 ? 39  LEU A C   1 
ATOM   166  O O   . LEU A 1 25  ? 5.300   -18.241 1.675   1.00 13.52 ? 39  LEU A O   1 
ATOM   167  C CB  . LEU A 1 25  ? 6.539   -18.526 4.438   1.00 12.73 ? 39  LEU A CB  1 
ATOM   168  C CG  . LEU A 1 25  ? 7.646   -18.652 5.484   1.00 13.12 ? 39  LEU A CG  1 
ATOM   169  C CD1 . LEU A 1 25  ? 7.481   -17.581 6.554   1.00 12.26 ? 39  LEU A CD1 1 
ATOM   170  C CD2 . LEU A 1 25  ? 7.663   -20.047 6.089   1.00 13.38 ? 39  LEU A CD2 1 
ATOM   171  N N   . THR A 1 26  ? 4.351   -20.140 2.453   1.00 13.00 ? 40  THR A N   1 
ATOM   172  C CA  . THR A 1 26  ? 3.095   -19.965 1.738   1.00 13.25 ? 40  THR A CA  1 
ATOM   173  C C   . THR A 1 26  ? 1.969   -20.395 2.667   1.00 12.82 ? 40  THR A C   1 
ATOM   174  O O   . THR A 1 26  ? 2.187   -21.160 3.613   1.00 15.27 ? 40  THR A O   1 
ATOM   175  C CB  . THR A 1 26  ? 3.043   -20.811 0.456   1.00 16.60 ? 40  THR A CB  1 
ATOM   176  O OG1 . THR A 1 26  ? 3.197   -22.194 0.786   1.00 18.78 ? 40  THR A OG1 1 
ATOM   177  C CG2 . THR A 1 26  ? 4.152   -20.416 -0.507  1.00 16.66 ? 40  THR A CG2 1 
ATOM   178  N N   . GLY A 1 27  ? 0.765   -19.899 2.405   1.00 13.28 ? 41  GLY A N   1 
ATOM   179  C CA  . GLY A 1 27  ? -0.379  -20.326 3.205   1.00 13.99 ? 41  GLY A CA  1 
ATOM   180  C C   . GLY A 1 27  ? -1.465  -19.261 3.248   1.00 12.70 ? 41  GLY A C   1 
ATOM   181  O O   . GLY A 1 27  ? -1.610  -18.465 2.318   1.00 13.20 ? 41  GLY A O   1 
ATOM   182  N N   . THR A 1 28  ? -2.242  -19.292 4.337   1.00 13.36 ? 42  THR A N   1 
ATOM   183  C CA  . THR A 1 28  ? -3.383  -18.399 4.497   1.00 13.48 ? 42  THR A CA  1 
ATOM   184  C C   . THR A 1 28  ? -3.440  -17.826 5.910   1.00 12.46 ? 42  THR A C   1 
ATOM   185  O O   . THR A 1 28  ? -2.960  -18.436 6.876   1.00 13.49 ? 42  THR A O   1 
ATOM   186  C CB  . THR A 1 28  ? -4.735  -19.077 4.188   1.00 14.96 ? 42  THR A CB  1 
ATOM   187  O OG1 . THR A 1 28  ? -4.955  -20.162 5.100   1.00 17.13 ? 42  THR A OG1 1 
ATOM   188  C CG2 . THR A 1 28  ? -4.770  -19.594 2.758   1.00 15.23 ? 42  THR A CG2 1 
ATOM   189  N N   . TYR A 1 29  ? -4.048  -16.646 6.018   1.00 12.73 ? 43  TYR A N   1 
ATOM   190  C CA  . TYR A 1 29  ? -4.230  -15.966 7.295   1.00 12.70 ? 43  TYR A CA  1 
ATOM   191  C C   . TYR A 1 29  ? -5.690  -15.560 7.452   1.00 13.56 ? 43  TYR A C   1 
ATOM   192  O O   . TYR A 1 29  ? -6.304  -15.058 6.508   1.00 13.55 ? 43  TYR A O   1 
ATOM   193  C CB  . TYR A 1 29  ? -3.329  -14.716 7.368   1.00 13.07 ? 43  TYR A CB  1 
ATOM   194  C CG  . TYR A 1 29  ? -3.065  -14.223 8.778   1.00 12.35 ? 43  TYR A CG  1 
ATOM   195  C CD1 . TYR A 1 29  ? -3.971  -13.387 9.437   1.00 12.42 ? 43  TYR A CD1 1 
ATOM   196  C CD2 . TYR A 1 29  ? -1.930  -14.623 9.472   1.00 12.36 ? 43  TYR A CD2 1 
ATOM   197  C CE1 . TYR A 1 29  ? -3.727  -12.948 10.731  1.00 13.46 ? 43  TYR A CE1 1 
ATOM   198  C CE2 . TYR A 1 29  ? -1.685  -14.188 10.771  1.00 12.46 ? 43  TYR A CE2 1 
ATOM   199  C CZ  . TYR A 1 29  ? -2.583  -13.350 11.392  1.00 12.96 ? 43  TYR A CZ  1 
ATOM   200  O OH  . TYR A 1 29  ? -2.333  -12.924 12.680  1.00 13.90 ? 43  TYR A OH  1 
ATOM   201  N N   . GLU A 1 30  ? -6.247  -15.781 8.645   1.00 13.52 ? 44  GLU A N   1 
ATOM   202  C CA  . GLU A 1 30  ? -7.598  -15.340 8.984   1.00 13.65 ? 44  GLU A CA  1 
ATOM   203  C C   . GLU A 1 30  ? -7.511  -14.494 10.249  1.00 14.05 ? 44  GLU A C   1 
ATOM   204  O O   . GLU A 1 30  ? -7.075  -14.982 11.297  1.00 14.45 ? 44  GLU A O   1 
ATOM   205  C CB  . GLU A 1 30  ? -8.549  -16.526 9.179   1.00 14.96 ? 44  GLU A CB  1 
ATOM   206  C CG  . GLU A 1 30  ? -10.018 -16.132 9.367   1.00 17.72 ? 44  GLU A CG  1 
ATOM   207  C CD  . GLU A 1 30  ? -10.954 -17.326 9.375   1.00 20.67 ? 44  GLU A CD  1 
ATOM   208  O OE1 . GLU A 1 30  ? -10.479 -18.465 9.197   1.00 23.07 ? 44  GLU A OE1 1 
ATOM   209  O OE2 . GLU A 1 30  ? -12.177 -17.127 9.556   1.00 22.49 ? 44  GLU A OE2 1 
ATOM   210  N N   . SER A 1 31  ? -7.929  -13.235 10.148  1.00 14.47 ? 45  SER A N   1 
ATOM   211  C CA  . SER A 1 31  ? -7.737  -12.257 11.209  1.00 14.63 ? 45  SER A CA  1 
ATOM   212  C C   . SER A 1 31  ? -8.918  -12.231 12.171  1.00 15.20 ? 45  SER A C   1 
ATOM   213  O O   . SER A 1 31  ? -10.079 -12.172 11.749  1.00 16.95 ? 45  SER A O   1 
ATOM   214  C CB  . SER A 1 31  ? -7.547  -10.863 10.611  1.00 14.92 ? 45  SER A CB  1 
ATOM   215  O OG  . SER A 1 31  ? -7.295  -9.913  11.635  1.00 16.08 ? 45  SER A OG  1 
ATOM   216  N N   . ALA A 1 32  ? -8.611  -12.228 13.468  1.00 17.25 ? 46  ALA A N   1 
ATOM   217  C CA  . ALA A 1 32  ? -9.649  -12.038 14.470  1.00 18.52 ? 46  ALA A CA  1 
ATOM   218  C C   . ALA A 1 32  ? -10.062 -10.581 14.619  1.00 19.60 ? 46  ALA A C   1 
ATOM   219  O O   . ALA A 1 32  ? -11.037 -10.307 15.328  1.00 20.33 ? 46  ALA A O   1 
ATOM   220  C CB  . ALA A 1 32  ? -9.193  -12.589 15.828  1.00 21.50 ? 46  ALA A CB  1 
ATOM   221  N N   . VAL A 1 33  ? -9.355  -9.646  13.979  1.00 18.54 ? 47  VAL A N   1 
ATOM   222  C CA  . VAL A 1 33  ? -9.580  -8.219  14.171  1.00 19.03 ? 47  VAL A CA  1 
ATOM   223  C C   . VAL A 1 33  ? -9.604  -7.493  12.830  1.00 18.56 ? 47  VAL A C   1 
ATOM   224  O O   . VAL A 1 33  ? -9.051  -7.956  11.829  1.00 18.03 ? 47  VAL A O   1 
ATOM   225  C CB  . VAL A 1 33  ? -8.533  -7.573  15.111  1.00 20.48 ? 47  VAL A CB  1 
ATOM   226  C CG1 . VAL A 1 33  ? -8.647  -8.135  16.525  1.00 21.62 ? 47  VAL A CG1 1 
ATOM   227  C CG2 . VAL A 1 33  ? -7.124  -7.770  14.569  1.00 21.62 ? 47  VAL A CG2 1 
ATOM   228  N N   . GLY A 1 34  ? -10.252 -6.325  12.832  1.00 18.24 ? 48  GLY A N   1 
ATOM   229  C CA  . GLY A 1 34  ? -10.180 -5.394  11.721  1.00 18.18 ? 48  GLY A CA  1 
ATOM   230  C C   . GLY A 1 34  ? -11.163 -5.681  10.597  1.00 17.66 ? 48  GLY A C   1 
ATOM   231  O O   . GLY A 1 34  ? -12.080 -6.500  10.704  1.00 17.69 ? 48  GLY A O   1 
ATOM   232  N N   . ASN A 1 35  ? -10.950 -4.968  9.488   1.00 19.19 ? 49  ASN A N   1 
ATOM   233  C CA  . ASN A 1 35  ? -11.806 -5.045  8.302   1.00 20.62 ? 49  ASN A CA  1 
ATOM   234  C C   . ASN A 1 35  ? -11.368 -6.256  7.480   1.00 19.72 ? 49  ASN A C   1 
ATOM   235  O O   . ASN A 1 35  ? -10.642 -6.156  6.485   1.00 20.07 ? 49  ASN A O   1 
ATOM   236  C CB  . ASN A 1 35  ? -11.703 -3.748  7.509   1.00 23.29 ? 49  ASN A CB  1 
ATOM   237  C CG  . ASN A 1 35  ? -12.621 -3.717  6.303   1.00 24.56 ? 49  ASN A CG  1 
ATOM   238  O OD1 . ASN A 1 35  ? -13.495 -4.569  6.148   1.00 25.37 ? 49  ASN A OD1 1 
ATOM   239  N ND2 . ASN A 1 35  ? -12.428 -2.724  5.441   1.00 25.67 ? 49  ASN A ND2 1 
ATOM   240  N N   . ALA A 1 36  ? -11.822 -7.429  7.919   1.00 18.94 ? 50  ALA A N   1 
ATOM   241  C CA  . ALA A 1 36  ? -11.335 -8.689  7.379   1.00 17.70 ? 50  ALA A CA  1 
ATOM   242  C C   . ALA A 1 36  ? -12.414 -9.752  7.512   1.00 17.00 ? 50  ALA A C   1 
ATOM   243  O O   . ALA A 1 36  ? -13.178 -9.769  8.481   1.00 18.99 ? 50  ALA A O   1 
ATOM   244  C CB  . ALA A 1 36  ? -10.088 -9.154  8.139   1.00 17.05 ? 50  ALA A CB  1 
ATOM   245  N N   . GLU A 1 37  ? -12.460 -10.649 6.529   1.00 17.01 ? 51  GLU A N   1 
ATOM   246  C CA  . GLU A 1 37  ? -13.407 -11.754 6.536   1.00 18.37 ? 51  GLU A CA  1 
ATOM   247  C C   . GLU A 1 37  ? -12.778 -12.930 5.806   1.00 16.62 ? 51  GLU A C   1 
ATOM   248  O O   . GLU A 1 37  ? -12.286 -12.768 4.687   1.00 16.23 ? 51  GLU A O   1 
ATOM   249  C CB  . GLU A 1 37  ? -14.710 -11.339 5.839   1.00 19.60 ? 51  GLU A CB  1 
ATOM   250  C CG  . GLU A 1 37  ? -15.672 -12.485 5.588   1.00 21.31 ? 51  GLU A CG  1 
ATOM   251  C CD  . GLU A 1 37  ? -16.938 -12.066 4.850   1.00 22.68 ? 51  GLU A CD  1 
ATOM   252  O OE1 . GLU A 1 37  ? -17.145 -10.858 4.599   1.00 22.94 ? 51  GLU A OE1 1 
ATOM   253  O OE2 . GLU A 1 37  ? -17.729 -12.965 4.519   1.00 23.13 ? 51  GLU A OE2 1 
ATOM   254  N N   . SER A 1 38  ? -12.808 -14.106 6.434   1.00 15.88 ? 52  SER A N   1 
ATOM   255  C CA  . SER A 1 38  ? -12.302 -15.347 5.852   1.00 17.32 ? 52  SER A CA  1 
ATOM   256  C C   . SER A 1 38  ? -10.789 -15.319 5.638   1.00 16.03 ? 52  SER A C   1 
ATOM   257  O O   . SER A 1 38  ? -10.072 -14.568 6.308   1.00 16.31 ? 52  SER A O   1 
ATOM   258  C CB  . SER A 1 38  ? -13.053 -15.709 4.564   1.00 20.03 ? 52  SER A CB  1 
ATOM   259  O OG  . SER A 1 38  ? -12.912 -17.086 4.259   1.00 22.20 ? 52  SER A OG  1 
ATOM   260  N N   . ARG A 1 39  ? -10.293 -16.149 4.723   1.00 14.96 ? 53  ARG A N   1 
ATOM   261  C CA  . ARG A 1 39  ? -8.864  -16.354 4.545   1.00 14.91 ? 53  ARG A CA  1 
ATOM   262  C C   . ARG A 1 39  ? -8.286  -15.407 3.499   1.00 13.42 ? 53  ARG A C   1 
ATOM   263  O O   . ARG A 1 39  ? -8.932  -15.074 2.494   1.00 13.55 ? 53  ARG A O   1 
ATOM   264  C CB  . ARG A 1 39  ? -8.582  -17.798 4.124   1.00 16.27 ? 53  ARG A CB  1 
ATOM   265  C CG  . ARG A 1 39  ? -8.718  -18.804 5.249   1.00 18.70 ? 53  ARG A CG  1 
ATOM   266  C CD  . ARG A 1 39  ? -8.713  -20.230 4.727   1.00 22.50 ? 53  ARG A CD  1 
ATOM   267  N NE  . ARG A 1 39  ? -8.771  -21.207 5.809   1.00 25.80 ? 53  ARG A NE  1 
ATOM   268  C CZ  . ARG A 1 39  ? -8.911  -22.514 5.631   1.00 27.71 ? 53  ARG A CZ  1 
ATOM   269  N NH1 . ARG A 1 39  ? -9.033  -23.038 4.422   1.00 29.00 ? 53  ARG A NH1 1 
ATOM   270  N NH2 . ARG A 1 39  ? -8.927  -23.316 6.692   1.00 27.90 ? 53  ARG A NH2 1 
ATOM   271  N N   . TYR A 1 40  ? -7.043  -14.997 3.747   1.00 13.21 ? 54  TYR A N   1 
ATOM   272  C CA  . TYR A 1 40  ? -6.245  -14.185 2.840   1.00 12.81 ? 54  TYR A CA  1 
ATOM   273  C C   . TYR A 1 40  ? -4.939  -14.904 2.528   1.00 11.93 ? 54  TYR A C   1 
ATOM   274  O O   . TYR A 1 40  ? -4.396  -15.626 3.369   1.00 13.37 ? 54  TYR A O   1 
ATOM   275  C CB  . TYR A 1 40  ? -5.912  -12.812 3.463   1.00 13.20 ? 54  TYR A CB  1 
ATOM   276  C CG  . TYR A 1 40  ? -7.142  -11.983 3.725   1.00 12.56 ? 54  TYR A CG  1 
ATOM   277  C CD1 . TYR A 1 40  ? -7.918  -12.193 4.858   1.00 11.78 ? 54  TYR A CD1 1 
ATOM   278  C CD2 . TYR A 1 40  ? -7.543  -10.999 2.828   1.00 13.25 ? 54  TYR A CD2 1 
ATOM   279  C CE1 . TYR A 1 40  ? -9.072  -11.451 5.073   1.00 12.53 ? 54  TYR A CE1 1 
ATOM   280  C CE2 . TYR A 1 40  ? -8.681  -10.249 3.042   1.00 14.21 ? 54  TYR A CE2 1 
ATOM   281  C CZ  . TYR A 1 40  ? -9.440  -10.474 4.168   1.00 13.19 ? 54  TYR A CZ  1 
ATOM   282  O OH  . TYR A 1 40  ? -10.587 -9.738  4.400   1.00 14.70 ? 54  TYR A OH  1 
ATOM   283  N N   . VAL A 1 41  ? -4.433  -14.690 1.309   1.00 12.37 ? 55  VAL A N   1 
ATOM   284  C CA  . VAL A 1 41  ? -3.158  -15.271 0.900   1.00 13.28 ? 55  VAL A CA  1 
ATOM   285  C C   . VAL A 1 41  ? -2.022  -14.627 1.685   1.00 12.93 ? 55  VAL A C   1 
ATOM   286  O O   . VAL A 1 41  ? -2.016  -13.411 1.927   1.00 13.61 ? 55  VAL A O   1 
ATOM   287  C CB  . VAL A 1 41  ? -2.947  -15.073 -0.611  1.00 13.34 ? 55  VAL A CB  1 
ATOM   288  C CG1 . VAL A 1 41  ? -1.567  -15.567 -1.040  1.00 13.85 ? 55  VAL A CG1 1 
ATOM   289  C CG2 . VAL A 1 41  ? -4.036  -15.782 -1.399  1.00 14.08 ? 55  VAL A CG2 1 
ATOM   290  N N   . LEU A 1 42  ? -1.038  -15.434 2.072   1.00 13.01 ? 56  LEU A N   1 
ATOM   291  C CA  . LEU A 1 42  ? 0.218   -14.907 2.581   1.00 12.37 ? 56  LEU A CA  1 
ATOM   292  C C   . LEU A 1 42  ? 1.384   -15.545 1.843   1.00 11.90 ? 56  LEU A C   1 
ATOM   293  O O   . LEU A 1 42  ? 1.302   -16.687 1.385   1.00 13.16 ? 56  LEU A O   1 
ATOM   294  C CB  . LEU A 1 42  ? 0.401   -15.171 4.091   1.00 13.93 ? 56  LEU A CB  1 
ATOM   295  C CG  . LEU A 1 42  ? 0.626   -16.614 4.552   1.00 13.13 ? 56  LEU A CG  1 
ATOM   296  C CD1 . LEU A 1 42  ? 2.115   -16.975 4.660   1.00 13.14 ? 56  LEU A CD1 1 
ATOM   297  C CD2 . LEU A 1 42  ? -0.071  -16.843 5.880   1.00 13.96 ? 56  LEU A CD2 1 
ATOM   298  N N   A THR A 1 43  ? 2.481   -14.792 1.724   0.78 11.44 ? 57  THR A N   1 
ATOM   299  N N   B THR A 1 43  ? 2.488   -14.809 1.781   0.22 11.63 ? 57  THR A N   1 
ATOM   300  C CA  A THR A 1 43  ? 3.760   -15.328 1.274   0.78 11.73 ? 57  THR A CA  1 
ATOM   301  C CA  B THR A 1 43  ? 3.747   -15.370 1.329   0.22 11.18 ? 57  THR A CA  1 
ATOM   302  C C   A THR A 1 43  ? 4.869   -14.712 2.120   0.78 12.05 ? 57  THR A C   1 
ATOM   303  C C   B THR A 1 43  ? 4.878   -14.709 2.104   0.22 12.20 ? 57  THR A C   1 
ATOM   304  O O   A THR A 1 43  ? 4.724   -13.602 2.644   0.78 10.48 ? 57  THR A O   1 
ATOM   305  O O   B THR A 1 43  ? 4.747   -13.576 2.577   0.22 12.25 ? 57  THR A O   1 
ATOM   306  C CB  A THR A 1 43  ? 4.050   -15.065 -0.227  0.78 14.46 ? 57  THR A CB  1 
ATOM   307  C CB  B THR A 1 43  ? 3.934   -15.217 -0.183  0.22 10.69 ? 57  THR A CB  1 
ATOM   308  O OG1 A THR A 1 43  ? 4.102   -13.656 -0.470  0.78 16.30 ? 57  THR A OG1 1 
ATOM   309  O OG1 B THR A 1 43  ? 5.103   -15.935 -0.589  0.22 10.44 ? 57  THR A OG1 1 
ATOM   310  C CG2 A THR A 1 43  ? 2.996   -15.715 -1.137  0.78 15.93 ? 57  THR A CG2 1 
ATOM   311  C CG2 B THR A 1 43  ? 4.084   -13.757 -0.556  0.22 11.43 ? 57  THR A CG2 1 
ATOM   312  N N   . GLY A 1 44  ? 5.979   -15.434 2.240   1.00 12.89 ? 58  GLY A N   1 
ATOM   313  C CA  . GLY A 1 44  ? 7.093   -14.947 3.028   1.00 12.71 ? 58  GLY A CA  1 
ATOM   314  C C   . GLY A 1 44  ? 8.327   -15.797 2.818   1.00 12.54 ? 58  GLY A C   1 
ATOM   315  O O   . GLY A 1 44  ? 8.396   -16.605 1.886   1.00 12.78 ? 58  GLY A O   1 
ATOM   316  N N   . ARG A 1 45  ? 9.309   -15.596 3.704   1.00 12.28 ? 59  ARG A N   1 
ATOM   317  C CA  . ARG A 1 45  ? 10.585  -16.300 3.652   1.00 12.17 ? 59  ARG A CA  1 
ATOM   318  C C   . ARG A 1 45  ? 11.034  -16.648 5.065   1.00 12.51 ? 59  ARG A C   1 
ATOM   319  O O   . ARG A 1 45  ? 10.672  -15.974 6.032   1.00 12.60 ? 59  ARG A O   1 
ATOM   320  C CB  . ARG A 1 45  ? 11.684  -15.432 3.026   1.00 12.71 ? 59  ARG A CB  1 
ATOM   321  C CG  . ARG A 1 45  ? 11.375  -14.867 1.639   1.00 14.15 ? 59  ARG A CG  1 
ATOM   322  C CD  . ARG A 1 45  ? 11.425  -15.940 0.554   1.00 14.49 ? 59  ARG A CD  1 
ATOM   323  N NE  . ARG A 1 45  ? 12.764  -16.507 0.432   1.00 13.38 ? 59  ARG A NE  1 
ATOM   324  C CZ  . ARG A 1 45  ? 13.043  -17.650 -0.182  1.00 13.42 ? 59  ARG A CZ  1 
ATOM   325  N NH1 . ARG A 1 45  ? 12.102  -18.353 -0.797  1.00 15.76 ? 59  ARG A NH1 1 
ATOM   326  N NH2 . ARG A 1 45  ? 14.300  -18.096 -0.180  1.00 14.12 ? 59  ARG A NH2 1 
ATOM   327  N N   . TYR A 1 46  ? 11.858  -17.690 5.176   1.00 13.57 ? 60  TYR A N   1 
ATOM   328  C CA  . TYR A 1 46  ? 12.437  -18.078 6.457   1.00 13.85 ? 60  TYR A CA  1 
ATOM   329  C C   . TYR A 1 46  ? 13.835  -18.633 6.218   1.00 13.11 ? 60  TYR A C   1 
ATOM   330  O O   . TYR A 1 46  ? 14.166  -19.064 5.111   1.00 14.12 ? 60  TYR A O   1 
ATOM   331  C CB  . TYR A 1 46  ? 11.569  -19.123 7.178   1.00 14.33 ? 60  TYR A CB  1 
ATOM   332  C CG  . TYR A 1 46  ? 11.709  -20.527 6.625   1.00 14.58 ? 60  TYR A CG  1 
ATOM   333  C CD1 . TYR A 1 46  ? 11.103  -20.892 5.430   1.00 14.75 ? 60  TYR A CD1 1 
ATOM   334  C CD2 . TYR A 1 46  ? 12.437  -21.490 7.308   1.00 16.14 ? 60  TYR A CD2 1 
ATOM   335  C CE1 . TYR A 1 46  ? 11.238  -22.183 4.925   1.00 16.14 ? 60  TYR A CE1 1 
ATOM   336  C CE2 . TYR A 1 46  ? 12.576  -22.772 6.820   1.00 17.08 ? 60  TYR A CE2 1 
ATOM   337  C CZ  . TYR A 1 46  ? 11.976  -23.118 5.630   1.00 18.14 ? 60  TYR A CZ  1 
ATOM   338  O OH  . TYR A 1 46  ? 12.121  -24.402 5.156   1.00 19.78 ? 60  TYR A OH  1 
ATOM   339  N N   . ASP A 1 47  ? 14.652  -18.629 7.273   1.00 13.98 ? 61  ASP A N   1 
ATOM   340  C CA  . ASP A 1 47  ? 16.015  -19.152 7.214   1.00 15.30 ? 61  ASP A CA  1 
ATOM   341  C C   . ASP A 1 47  ? 15.941  -20.676 7.241   1.00 16.38 ? 61  ASP A C   1 
ATOM   342  O O   . ASP A 1 47  ? 15.577  -21.268 8.264   1.00 16.95 ? 61  ASP A O   1 
ATOM   343  C CB  . ASP A 1 47  ? 16.802  -18.613 8.408   1.00 14.62 ? 61  ASP A CB  1 
ATOM   344  C CG  . ASP A 1 47  ? 18.235  -19.134 8.473   1.00 15.83 ? 61  ASP A CG  1 
ATOM   345  O OD1 . ASP A 1 47  ? 18.670  -19.896 7.584   1.00 15.92 ? 61  ASP A OD1 1 
ATOM   346  O OD2 . ASP A 1 47  ? 18.944  -18.773 9.443   1.00 16.29 ? 61  ASP A OD2 1 
ATOM   347  N N   . SER A 1 48  ? 16.284  -21.314 6.121   1.00 17.11 ? 62  SER A N   1 
ATOM   348  C CA  . SER A 1 48  ? 16.175  -22.764 6.013   1.00 18.68 ? 62  SER A CA  1 
ATOM   349  C C   . SER A 1 48  ? 17.374  -23.502 6.589   1.00 20.53 ? 62  SER A C   1 
ATOM   350  O O   . SER A 1 48  ? 17.390  -24.738 6.562   1.00 22.29 ? 62  SER A O   1 
ATOM   351  C CB  . SER A 1 48  ? 15.948  -23.179 4.556   1.00 20.18 ? 62  SER A CB  1 
ATOM   352  O OG  . SER A 1 48  ? 16.973  -22.672 3.721   1.00 21.31 ? 62  SER A OG  1 
ATOM   353  N N   . ALA A 1 49  ? 18.368  -22.789 7.109   1.00 19.84 ? 63  ALA A N   1 
ATOM   354  C CA  . ALA A 1 49  ? 19.530  -23.405 7.748   1.00 20.90 ? 63  ALA A CA  1 
ATOM   355  C C   . ALA A 1 49  ? 19.938  -22.563 8.950   1.00 20.61 ? 63  ALA A C   1 
ATOM   356  O O   . ALA A 1 49  ? 20.988  -21.914 8.947   1.00 20.51 ? 63  ALA A O   1 
ATOM   357  C CB  . ALA A 1 49  ? 20.681  -23.549 6.750   1.00 21.22 ? 63  ALA A CB  1 
ATOM   358  N N   . PRO A 1 50  ? 19.125  -22.563 10.006  1.00 19.84 ? 64  PRO A N   1 
ATOM   359  C CA  . PRO A 1 50  ? 19.412  -21.699 11.159  1.00 20.07 ? 64  PRO A CA  1 
ATOM   360  C C   . PRO A 1 50  ? 20.681  -22.120 11.889  1.00 20.86 ? 64  PRO A C   1 
ATOM   361  O O   . PRO A 1 50  ? 21.226  -23.209 11.698  1.00 21.59 ? 64  PRO A O   1 
ATOM   362  C CB  . PRO A 1 50  ? 18.174  -21.866 12.048  1.00 21.78 ? 64  PRO A CB  1 
ATOM   363  C CG  . PRO A 1 50  ? 17.581  -23.177 11.636  1.00 21.69 ? 64  PRO A CG  1 
ATOM   364  C CD  . PRO A 1 50  ? 17.863  -23.305 10.170  1.00 21.80 ? 64  PRO A CD  1 
ATOM   365  N N   . ALA A 1 51  ? 21.157  -21.214 12.740  1.00 20.96 ? 65  ALA A N   1 
ATOM   366  C CA  . ALA A 1 51  ? 22.335  -21.497 13.544  1.00 20.63 ? 65  ALA A CA  1 
ATOM   367  C C   . ALA A 1 51  ? 22.052  -22.644 14.510  1.00 21.56 ? 65  ALA A C   1 
ATOM   368  O O   . ALA A 1 51  ? 20.904  -22.934 14.861  1.00 22.28 ? 65  ALA A O   1 
ATOM   369  C CB  . ALA A 1 51  ? 22.763  -20.251 14.319  1.00 20.96 ? 65  ALA A CB  1 
ATOM   370  N N   . THR A 1 52  ? 23.122  -23.312 14.934  1.00 23.50 ? 66  THR A N   1 
ATOM   371  C CA  . THR A 1 52  ? 23.027  -24.463 15.824  1.00 26.52 ? 66  THR A CA  1 
ATOM   372  C C   . THR A 1 52  ? 23.484  -24.130 17.241  1.00 26.27 ? 66  THR A C   1 
ATOM   373  O O   . THR A 1 52  ? 23.919  -25.014 17.984  1.00 27.55 ? 66  THR A O   1 
ATOM   374  C CB  . THR A 1 52  ? 23.808  -25.648 15.264  1.00 29.24 ? 66  THR A CB  1 
ATOM   375  O OG1 . THR A 1 52  ? 25.153  -25.241 14.986  1.00 30.72 ? 66  THR A OG1 1 
ATOM   376  C CG2 . THR A 1 52  ? 23.161  -26.151 13.984  1.00 30.28 ? 66  THR A CG2 1 
ATOM   377  N N   . ASP A 1 53  ? 23.386  -22.859 17.627  1.00 26.21 ? 67  ASP A N   1 
ATOM   378  C CA  . ASP A 1 53  ? 23.833  -22.389 18.931  1.00 25.15 ? 67  ASP A CA  1 
ATOM   379  C C   . ASP A 1 53  ? 22.680  -22.107 19.890  1.00 24.82 ? 67  ASP A C   1 
ATOM   380  O O   . ASP A 1 53  ? 22.888  -21.443 20.910  1.00 25.67 ? 67  ASP A O   1 
ATOM   381  C CB  . ASP A 1 53  ? 24.693  -21.133 18.773  1.00 25.27 ? 67  ASP A CB  1 
ATOM   382  C CG  . ASP A 1 53  ? 23.934  -19.972 18.143  1.00 26.01 ? 67  ASP A CG  1 
ATOM   383  O OD1 . ASP A 1 53  ? 22.739  -20.130 17.811  1.00 23.34 ? 67  ASP A OD1 1 
ATOM   384  O OD2 . ASP A 1 53  ? 24.541  -18.893 17.977  1.00 28.73 ? 67  ASP A OD2 1 
ATOM   385  N N   . GLY A 1 54  ? 21.475  -22.582 19.586  1.00 23.36 ? 68  GLY A N   1 
ATOM   386  C CA  . GLY A 1 54  ? 20.321  -22.292 20.410  1.00 21.72 ? 68  GLY A CA  1 
ATOM   387  C C   . GLY A 1 54  ? 19.491  -21.110 19.953  1.00 21.67 ? 68  GLY A C   1 
ATOM   388  O O   . GLY A 1 54  ? 18.476  -20.799 20.597  1.00 22.93 ? 68  GLY A O   1 
ATOM   389  N N   . SER A 1 55  ? 19.886  -20.440 18.875  1.00 20.26 ? 69  SER A N   1 
ATOM   390  C CA  . SER A 1 55  ? 19.137  -19.298 18.372  1.00 19.55 ? 69  SER A CA  1 
ATOM   391  C C   . SER A 1 55  ? 17.866  -19.751 17.664  1.00 18.55 ? 69  SER A C   1 
ATOM   392  O O   . SER A 1 55  ? 17.784  -20.863 17.134  1.00 20.32 ? 69  SER A O   1 
ATOM   393  C CB  . SER A 1 55  ? 19.989  -18.488 17.393  1.00 21.06 ? 69  SER A CB  1 
ATOM   394  O OG  . SER A 1 55  ? 21.123  -17.950 18.049  1.00 24.21 ? 69  SER A OG  1 
ATOM   395  N N   . GLY A 1 56  ? 16.872  -18.871 17.657  1.00 16.72 ? 70  GLY A N   1 
ATOM   396  C CA  . GLY A 1 56  ? 15.665  -19.106 16.891  1.00 15.84 ? 70  GLY A CA  1 
ATOM   397  C C   . GLY A 1 56  ? 15.893  -18.980 15.385  1.00 15.24 ? 70  GLY A C   1 
ATOM   398  O O   . GLY A 1 56  ? 16.979  -18.660 14.903  1.00 16.29 ? 70  GLY A O   1 
ATOM   399  N N   . THR A 1 57  ? 14.816  -19.233 14.629  1.00 13.69 ? 71  THR A N   1 
ATOM   400  C CA  . THR A 1 57  ? 14.831  -19.238 13.163  1.00 14.59 ? 71  THR A CA  1 
ATOM   401  C C   . THR A 1 57  ? 14.123  -17.985 12.654  1.00 13.79 ? 71  THR A C   1 
ATOM   402  O O   . THR A 1 57  ? 12.908  -17.845 12.822  1.00 13.96 ? 71  THR A O   1 
ATOM   403  C CB  . THR A 1 57  ? 14.112  -20.480 12.633  1.00 16.20 ? 71  THR A CB  1 
ATOM   404  O OG1 . THR A 1 57  ? 14.765  -21.659 13.119  1.00 17.45 ? 71  THR A OG1 1 
ATOM   405  C CG2 . THR A 1 57  ? 14.096  -20.488 11.104  1.00 15.79 ? 71  THR A CG2 1 
ATOM   406  N N   . ALA A 1 58  ? 14.867  -17.095 12.004  1.00 13.41 ? 72  ALA A N   1 
ATOM   407  C CA  . ALA A 1 58  ? 14.294  -15.845 11.520  1.00 12.67 ? 72  ALA A CA  1 
ATOM   408  C C   . ALA A 1 58  ? 13.321  -16.083 10.366  1.00 12.93 ? 72  ALA A C   1 
ATOM   409  O O   . ALA A 1 58  ? 13.530  -16.961 9.520   1.00 14.17 ? 72  ALA A O   1 
ATOM   410  C CB  . ALA A 1 58  ? 15.407  -14.906 11.060  1.00 13.95 ? 72  ALA A CB  1 
ATOM   411  N N   . LEU A 1 59  ? 12.262  -15.271 10.323  1.00 12.80 ? 73  LEU A N   1 
ATOM   412  C CA  . LEU A 1 59  ? 11.258  -15.392 9.270   1.00 13.86 ? 73  LEU A CA  1 
ATOM   413  C C   . LEU A 1 59  ? 10.454  -14.099 9.147   1.00 13.22 ? 73  LEU A C   1 
ATOM   414  O O   . LEU A 1 59  ? 10.494  -13.226 10.018  1.00 13.91 ? 73  LEU A O   1 
ATOM   415  C CB  . LEU A 1 59  ? 10.335  -16.592 9.521   1.00 15.41 ? 73  LEU A CB  1 
ATOM   416  C CG  . LEU A 1 59  ? 9.655   -16.736 10.893  1.00 21.63 ? 73  LEU A CG  1 
ATOM   417  C CD1 . LEU A 1 59  ? 8.562   -15.705 11.143  1.00 23.01 ? 73  LEU A CD1 1 
ATOM   418  C CD2 . LEU A 1 59  ? 9.099   -18.136 11.042  1.00 23.73 ? 73  LEU A CD2 1 
ATOM   419  N N   . GLY A 1 60  ? 9.682   -14.012 8.063   1.00 11.27 ? 74  GLY A N   1 
ATOM   420  C CA  . GLY A 1 60  ? 8.747   -12.919 7.866   1.00 12.00 ? 74  GLY A CA  1 
ATOM   421  C C   . GLY A 1 60  ? 7.723   -13.276 6.812   1.00 10.45 ? 74  GLY A C   1 
ATOM   422  O O   . GLY A 1 60  ? 7.962   -14.139 5.963   1.00 11.61 ? 74  GLY A O   1 
ATOM   423  N N   . TRP A 1 61  ? 6.560   -12.619 6.880   1.00 10.36 ? 75  TRP A N   1 
ATOM   424  C CA  . TRP A 1 61  ? 5.539   -12.830 5.855   1.00 10.85 ? 75  TRP A CA  1 
ATOM   425  C C   . TRP A 1 61  ? 4.653   -11.600 5.715   1.00 10.30 ? 75  TRP A C   1 
ATOM   426  O O   . TRP A 1 61  ? 4.628   -10.722 6.584   1.00 10.49 ? 75  TRP A O   1 
ATOM   427  C CB  . TRP A 1 61  ? 4.715   -14.109 6.078   1.00 11.43 ? 75  TRP A CB  1 
ATOM   428  C CG  . TRP A 1 61  ? 3.737   -14.068 7.234   1.00 11.53 ? 75  TRP A CG  1 
ATOM   429  C CD1 . TRP A 1 61  ? 2.406   -13.767 7.177   1.00 12.16 ? 75  TRP A CD1 1 
ATOM   430  C CD2 . TRP A 1 61  ? 4.022   -14.372 8.607   1.00 11.89 ? 75  TRP A CD2 1 
ATOM   431  N NE1 . TRP A 1 61  ? 1.846   -13.854 8.435   1.00 11.57 ? 75  TRP A NE1 1 
ATOM   432  C CE2 . TRP A 1 61  ? 2.820   -14.221 9.329   1.00 11.43 ? 75  TRP A CE2 1 
ATOM   433  C CE3 . TRP A 1 61  ? 5.180   -14.749 9.297   1.00 11.89 ? 75  TRP A CE3 1 
ATOM   434  C CZ2 . TRP A 1 61  ? 2.745   -14.434 10.712  1.00 12.07 ? 75  TRP A CZ2 1 
ATOM   435  C CZ3 . TRP A 1 61  ? 5.102   -14.962 10.674  1.00 13.15 ? 75  TRP A CZ3 1 
ATOM   436  C CH2 . TRP A 1 61  ? 3.894   -14.802 11.359  1.00 11.86 ? 75  TRP A CH2 1 
ATOM   437  N N   . THR A 1 62  ? 3.924   -11.552 4.593   1.00 10.26 ? 76  THR A N   1 
ATOM   438  C CA  . THR A 1 62  ? 3.036   -10.443 4.264   1.00 10.30 ? 76  THR A CA  1 
ATOM   439  C C   . THR A 1 62  ? 1.645   -10.951 3.918   1.00 10.01 ? 76  THR A C   1 
ATOM   440  O O   . THR A 1 62  ? 1.500   -11.978 3.248   1.00 11.46 ? 76  THR A O   1 
ATOM   441  C CB  . THR A 1 62  ? 3.549   -9.688  3.021   1.00 11.44 ? 76  THR A CB  1 
ATOM   442  O OG1 . THR A 1 62  ? 4.891   -9.246  3.243   1.00 11.74 ? 76  THR A OG1 1 
ATOM   443  C CG2 . THR A 1 62  ? 2.689   -8.476  2.726   1.00 11.44 ? 76  THR A CG2 1 
ATOM   444  N N   . VAL A 1 63  ? 0.626   -10.217 4.368   1.00 10.90 ? 77  VAL A N   1 
ATOM   445  C CA  . VAL A 1 63  ? -0.748  -10.371 3.889   1.00 10.39 ? 77  VAL A CA  1 
ATOM   446  C C   . VAL A 1 63  ? -1.203  -9.022  3.354   1.00 11.15 ? 77  VAL A C   1 
ATOM   447  O O   . VAL A 1 63  ? -1.170  -8.025  4.085   1.00 11.51 ? 77  VAL A O   1 
ATOM   448  C CB  . VAL A 1 63  ? -1.691  -10.816 5.022   1.00 11.17 ? 77  VAL A CB  1 
ATOM   449  C CG1 . VAL A 1 63  ? -3.166  -10.678 4.591   1.00 12.21 ? 77  VAL A CG1 1 
ATOM   450  C CG2 . VAL A 1 63  ? -1.389  -12.233 5.447   1.00 12.26 ? 77  VAL A CG2 1 
ATOM   451  N N   . ALA A 1 64  ? -1.637  -8.986  2.089   1.00 11.72 ? 78  ALA A N   1 
ATOM   452  C CA  . ALA A 1 64  ? -2.420  -7.864  1.586   1.00 12.07 ? 78  ALA A CA  1 
ATOM   453  C C   . ALA A 1 64  ? -3.894  -8.165  1.834   1.00 12.21 ? 78  ALA A C   1 
ATOM   454  O O   . ALA A 1 64  ? -4.370  -9.242  1.469   1.00 12.58 ? 78  ALA A O   1 
ATOM   455  C CB  . ALA A 1 64  ? -2.173  -7.647  0.091   1.00 13.14 ? 78  ALA A CB  1 
ATOM   456  N N   . TRP A 1 65  ? -4.604  -7.219  2.458   1.00 11.44 ? 79  TRP A N   1 
ATOM   457  C CA  . TRP A 1 65  ? -5.952  -7.471  2.967   1.00 11.66 ? 79  TRP A CA  1 
ATOM   458  C C   . TRP A 1 65  ? -7.028  -7.337  1.893   1.00 12.20 ? 79  TRP A C   1 
ATOM   459  O O   . TRP A 1 65  ? -8.051  -6.666  2.091   1.00 12.73 ? 79  TRP A O   1 
ATOM   460  C CB  . TRP A 1 65  ? -6.232  -6.588  4.190   1.00 12.24 ? 79  TRP A CB  1 
ATOM   461  C CG  . TRP A 1 65  ? -5.309  -6.909  5.330   1.00 11.44 ? 79  TRP A CG  1 
ATOM   462  C CD1 . TRP A 1 65  ? -4.240  -6.167  5.760   1.00 11.46 ? 79  TRP A CD1 1 
ATOM   463  C CD2 . TRP A 1 65  ? -5.333  -8.087  6.155   1.00 11.99 ? 79  TRP A CD2 1 
ATOM   464  N NE1 . TRP A 1 65  ? -3.615  -6.799  6.808   1.00 12.22 ? 79  TRP A NE1 1 
ATOM   465  C CE2 . TRP A 1 65  ? -4.257  -7.982  7.065   1.00 12.18 ? 79  TRP A CE2 1 
ATOM   466  C CE3 . TRP A 1 65  ? -6.156  -9.216  6.210   1.00 13.43 ? 79  TRP A CE3 1 
ATOM   467  C CZ2 . TRP A 1 65  ? -4.003  -8.953  8.038   1.00 13.03 ? 79  TRP A CZ2 1 
ATOM   468  C CZ3 . TRP A 1 65  ? -5.895  -10.183 7.168   1.00 14.81 ? 79  TRP A CZ3 1 
ATOM   469  C CH2 . TRP A 1 65  ? -4.829  -10.044 8.071   1.00 14.17 ? 79  TRP A CH2 1 
ATOM   470  N N   . LYS A 1 66  ? -6.798  -7.997  0.760   1.00 12.08 ? 80  LYS A N   1 
ATOM   471  C CA  . LYS A 1 66  ? -7.765  -8.127  -0.320  1.00 13.20 ? 80  LYS A CA  1 
ATOM   472  C C   . LYS A 1 66  ? -7.998  -9.608  -0.571  1.00 13.44 ? 80  LYS A C   1 
ATOM   473  O O   . LYS A 1 66  ? -7.041  -10.368 -0.747  1.00 13.10 ? 80  LYS A O   1 
ATOM   474  C CB  . LYS A 1 66  ? -7.251  -7.474  -1.608  1.00 13.59 ? 80  LYS A CB  1 
ATOM   475  C CG  . LYS A 1 66  ? -8.161  -7.719  -2.820  1.00 14.59 ? 80  LYS A CG  1 
ATOM   476  C CD  . LYS A 1 66  ? -7.563  -7.109  -4.093  1.00 17.70 ? 80  LYS A CD  1 
ATOM   477  C CE  . LYS A 1 66  ? -8.426  -7.375  -5.327  1.00 21.07 ? 80  LYS A CE  1 
ATOM   478  N NZ  . LYS A 1 66  ? -8.441  -8.820  -5.691  1.00 23.41 ? 80  LYS A NZ  1 
ATOM   479  N N   . ASN A 1 67  ? -9.261  -10.020 -0.573  1.00 13.50 ? 81  ASN A N   1 
ATOM   480  C CA  . ASN A 1 67  ? -9.630  -11.360 -1.023  1.00 13.49 ? 81  ASN A CA  1 
ATOM   481  C C   . ASN A 1 67  ? -10.875 -11.217 -1.892  1.00 14.50 ? 81  ASN A C   1 
ATOM   482  O O   . ASN A 1 67  ? -11.212 -10.123 -2.357  1.00 16.69 ? 81  ASN A O   1 
ATOM   483  C CB  . ASN A 1 67  ? -9.733  -12.379 0.129   1.00 13.62 ? 81  ASN A CB  1 
ATOM   484  C CG  . ASN A 1 67  ? -10.850 -12.062 1.122   1.00 14.62 ? 81  ASN A CG  1 
ATOM   485  O OD1 . ASN A 1 67  ? -11.722 -11.231 0.869   1.00 14.53 ? 81  ASN A OD1 1 
ATOM   486  N ND2 . ASN A 1 67  ? -10.834 -12.761 2.257   1.00 13.37 ? 81  ASN A ND2 1 
ATOM   487  N N   . ASN A 1 68  ? -11.576 -12.323 -2.129  1.00 14.12 ? 82  ASN A N   1 
ATOM   488  C CA  . ASN A 1 68  ? -12.752 -12.251 -2.988  1.00 15.86 ? 82  ASN A CA  1 
ATOM   489  C C   . ASN A 1 68  ? -13.967 -11.637 -2.302  1.00 16.03 ? 82  ASN A C   1 
ATOM   490  O O   . ASN A 1 68  ? -14.973 -11.385 -2.975  1.00 17.68 ? 82  ASN A O   1 
ATOM   491  C CB  . ASN A 1 68  ? -13.091 -13.635 -3.550  1.00 19.72 ? 82  ASN A CB  1 
ATOM   492  C CG  . ASN A 1 68  ? -11.971 -14.204 -4.411  1.00 22.50 ? 82  ASN A CG  1 
ATOM   493  O OD1 . ASN A 1 68  ? -11.307 -13.477 -5.152  1.00 23.57 ? 82  ASN A OD1 1 
ATOM   494  N ND2 . ASN A 1 68  ? -11.745 -15.508 -4.301  1.00 25.04 ? 82  ASN A ND2 1 
ATOM   495  N N   A TYR A 1 69  ? -13.893 -11.370 -0.998  0.54 15.87 ? 83  TYR A N   1 
ATOM   496  N N   B TYR A 1 69  ? -13.900 -11.400 -0.992  0.46 16.17 ? 83  TYR A N   1 
ATOM   497  C CA  A TYR A 1 69  ? -15.027 -10.867 -0.226  0.54 15.50 ? 83  TYR A CA  1 
ATOM   498  C CA  B TYR A 1 69  ? -15.012 -10.859 -0.219  0.46 16.03 ? 83  TYR A CA  1 
ATOM   499  C C   A TYR A 1 69  ? -14.885 -9.412  0.199   0.54 15.69 ? 83  TYR A C   1 
ATOM   500  C C   B TYR A 1 69  ? -14.854 -9.373  0.074   0.46 16.29 ? 83  TYR A C   1 
ATOM   501  O O   A TYR A 1 69  ? -15.890 -8.692  0.257   0.54 16.79 ? 83  TYR A O   1 
ATOM   502  O O   B TYR A 1 69  ? -15.803 -8.599  -0.094  0.46 17.07 ? 83  TYR A O   1 
ATOM   503  C CB  A TYR A 1 69  ? -15.253 -11.727 1.029   0.54 16.38 ? 83  TYR A CB  1 
ATOM   504  C CB  B TYR A 1 69  ? -15.143 -11.616 1.109   0.46 16.80 ? 83  TYR A CB  1 
ATOM   505  C CG  A TYR A 1 69  ? -15.367 -13.220 0.785   0.54 16.63 ? 83  TYR A CG  1 
ATOM   506  C CG  B TYR A 1 69  ? -15.366 -13.099 0.959   0.46 17.24 ? 83  TYR A CG  1 
ATOM   507  C CD1 A TYR A 1 69  ? -15.733 -13.724 -0.460  0.54 16.32 ? 83  TYR A CD1 1 
ATOM   508  C CD1 B TYR A 1 69  ? -16.647 -13.615 0.806   0.46 17.53 ? 83  TYR A CD1 1 
ATOM   509  C CD2 A TYR A 1 69  ? -15.119 -14.128 1.806   0.54 16.59 ? 83  TYR A CD2 1 
ATOM   510  C CD2 B TYR A 1 69  ? -14.296 -13.987 0.975   0.46 17.37 ? 83  TYR A CD2 1 
ATOM   511  C CE1 A TYR A 1 69  ? -15.828 -15.082 -0.681  0.54 15.92 ? 83  TYR A CE1 1 
ATOM   512  C CE1 B TYR A 1 69  ? -16.857 -14.969 0.668   0.46 18.73 ? 83  TYR A CE1 1 
ATOM   513  C CE2 A TYR A 1 69  ? -15.225 -15.491 1.595   0.54 17.13 ? 83  TYR A CE2 1 
ATOM   514  C CE2 B TYR A 1 69  ? -14.495 -15.346 0.835   0.46 17.18 ? 83  TYR A CE2 1 
ATOM   515  C CZ  A TYR A 1 69  ? -15.578 -15.961 0.346   0.54 16.75 ? 83  TYR A CZ  1 
ATOM   516  C CZ  B TYR A 1 69  ? -15.779 -15.831 0.682   0.46 18.62 ? 83  TYR A CZ  1 
ATOM   517  O OH  A TYR A 1 69  ? -15.676 -17.314 0.120   0.54 18.38 ? 83  TYR A OH  1 
ATOM   518  O OH  B TYR A 1 69  ? -15.986 -17.183 0.545   0.46 20.75 ? 83  TYR A OH  1 
ATOM   519  N N   . ARG A 1 70  ? -13.669 -8.964  0.522   1.00 16.36 ? 84  ARG A N   1 
ATOM   520  C CA  . ARG A 1 70  ? -13.451 -7.612  1.019   1.00 17.29 ? 84  ARG A CA  1 
ATOM   521  C C   . ARG A 1 70  ? -12.072 -7.123  0.597   1.00 14.63 ? 84  ARG A C   1 
ATOM   522  O O   . ARG A 1 70  ? -11.184 -7.911  0.264   1.00 14.79 ? 84  ARG A O   1 
ATOM   523  C CB  . ARG A 1 70  ? -13.520 -7.555  2.555   1.00 20.24 ? 84  ARG A CB  1 
ATOM   524  C CG  . ARG A 1 70  ? -14.867 -7.898  3.170   1.00 22.74 ? 84  ARG A CG  1 
ATOM   525  C CD  . ARG A 1 70  ? -14.829 -7.658  4.666   1.00 25.23 ? 84  ARG A CD  1 
ATOM   526  N NE  . ARG A 1 70  ? -16.002 -8.189  5.347   1.00 29.53 ? 84  ARG A NE  1 
ATOM   527  C CZ  . ARG A 1 70  ? -16.274 -7.978  6.627   1.00 32.38 ? 84  ARG A CZ  1 
ATOM   528  N NH1 . ARG A 1 70  ? -15.493 -7.223  7.383   1.00 34.08 ? 84  ARG A NH1 1 
ATOM   529  N NH2 . ARG A 1 70  ? -17.355 -8.537  7.163   1.00 34.10 ? 84  ARG A NH2 1 
ATOM   530  N N   . ASN A 1 71  ? -11.901 -5.802  0.625   1.00 14.68 ? 85  ASN A N   1 
ATOM   531  C CA  . ASN A 1 71  ? -10.604 -5.175  0.366   1.00 14.07 ? 85  ASN A CA  1 
ATOM   532  C C   . ASN A 1 71  ? -10.468 -3.985  1.306   1.00 15.12 ? 85  ASN A C   1 
ATOM   533  O O   . ASN A 1 71  ? -11.186 -2.992  1.163   1.00 16.45 ? 85  ASN A O   1 
ATOM   534  C CB  . ASN A 1 71  ? -10.472 -4.728  -1.092  1.00 13.57 ? 85  ASN A CB  1 
ATOM   535  C CG  . ASN A 1 71  ? -9.050  -4.315  -1.454  1.00 14.15 ? 85  ASN A CG  1 
ATOM   536  O OD1 . ASN A 1 71  ? -8.173  -4.192  -0.587  1.00 13.88 ? 85  ASN A OD1 1 
ATOM   537  N ND2 . ASN A 1 71  ? -8.813  -4.100  -2.744  1.00 14.76 ? 85  ASN A ND2 1 
ATOM   538  N N   . ALA A 1 72  ? -9.544  -4.081  2.257   1.00 13.53 ? 86  ALA A N   1 
ATOM   539  C CA  . ALA A 1 72  ? -9.283  -3.006  3.207   1.00 13.22 ? 86  ALA A CA  1 
ATOM   540  C C   . ALA A 1 72  ? -8.221  -2.022  2.726   1.00 13.16 ? 86  ALA A C   1 
ATOM   541  O O   . ALA A 1 72  ? -7.936  -1.052  3.435   1.00 14.56 ? 86  ALA A O   1 
ATOM   542  C CB  . ALA A 1 72  ? -8.850  -3.586  4.558   1.00 13.65 ? 86  ALA A CB  1 
ATOM   543  N N   . HIS A 1 73  ? -7.644  -2.234  1.543   1.00 12.54 ? 87  HIS A N   1 
ATOM   544  C CA  . HIS A 1 73  ? -6.600  -1.362  0.996   1.00 12.88 ? 87  HIS A CA  1 
ATOM   545  C C   . HIS A 1 73  ? -5.455  -1.173  1.991   1.00 12.48 ? 87  HIS A C   1 
ATOM   546  O O   . HIS A 1 73  ? -5.095  -0.058  2.363   1.00 12.73 ? 87  HIS A O   1 
ATOM   547  C CB  . HIS A 1 73  ? -7.171  -0.016  0.536   1.00 13.98 ? 87  HIS A CB  1 
ATOM   548  C CG  . HIS A 1 73  ? -8.280  -0.138  -0.462  1.00 14.47 ? 87  HIS A CG  1 
ATOM   549  N ND1 . HIS A 1 73  ? -8.167  -0.891  -1.611  1.00 14.29 ? 87  HIS A ND1 1 
ATOM   550  C CD2 . HIS A 1 73  ? -9.519  0.403   -0.487  1.00 16.62 ? 87  HIS A CD2 1 
ATOM   551  C CE1 . HIS A 1 73  ? -9.293  -0.810  -2.299  1.00 15.83 ? 87  HIS A CE1 1 
ATOM   552  N NE2 . HIS A 1 73  ? -10.127 -0.027  -1.642  1.00 16.66 ? 87  HIS A NE2 1 
ATOM   553  N N   . SER A 1 74  ? -4.899  -2.298  2.422   1.00 11.28 ? 88  SER A N   1 
ATOM   554  C CA  . SER A 1 74  ? -3.867  -2.288  3.452   1.00 10.85 ? 88  SER A CA  1 
ATOM   555  C C   . SER A 1 74  ? -3.099  -3.601  3.395   1.00 10.67 ? 88  SER A C   1 
ATOM   556  O O   . SER A 1 74  ? -3.523  -4.563  2.756   1.00 11.72 ? 88  SER A O   1 
ATOM   557  C CB  . SER A 1 74  ? -4.487  -2.088  4.841   1.00 13.40 ? 88  SER A CB  1 
ATOM   558  O OG  . SER A 1 74  ? -5.302  -3.192  5.177   1.00 13.57 ? 88  SER A OG  1 
ATOM   559  N N   . ALA A 1 75  ? -1.956  -3.633  4.084   1.00 10.91 ? 89  ALA A N   1 
ATOM   560  C CA  . ALA A 1 75  ? -1.126  -4.830  4.120   1.00 11.32 ? 89  ALA A CA  1 
ATOM   561  C C   . ALA A 1 75  ? -0.370  -4.893  5.444   1.00 10.57 ? 89  ALA A C   1 
ATOM   562  O O   . ALA A 1 75  ? 0.103   -3.868  5.946   1.00 11.12 ? 89  ALA A O   1 
ATOM   563  C CB  . ALA A 1 75  ? -0.128  -4.853  2.948   1.00 12.59 ? 89  ALA A CB  1 
ATOM   564  N N   . THR A 1 76  ? -0.241  -6.099  5.993   1.00 9.78  ? 90  THR A N   1 
ATOM   565  C CA  . THR A 1 76  ? 0.534   -6.328  7.208   1.00 9.53  ? 90  THR A CA  1 
ATOM   566  C C   . THR A 1 76  ? 1.752   -7.185  6.891   1.00 8.80  ? 90  THR A C   1 
ATOM   567  O O   . THR A 1 76  ? 1.649   -8.166  6.143   1.00 10.66 ? 90  THR A O   1 
ATOM   568  C CB  . THR A 1 76  ? -0.300  -7.041  8.280   1.00 10.33 ? 90  THR A CB  1 
ATOM   569  O OG1 . THR A 1 76  ? -1.467  -6.264  8.583   1.00 11.03 ? 90  THR A OG1 1 
ATOM   570  C CG2 . THR A 1 76  ? 0.521   -7.235  9.560   1.00 11.21 ? 90  THR A CG2 1 
ATOM   571  N N   . THR A 1 77  ? 2.902   -6.811  7.461   1.00 9.97  ? 91  THR A N   1 
ATOM   572  C CA  . THR A 1 77  ? 4.096   -7.653  7.481   1.00 9.48  ? 91  THR A CA  1 
ATOM   573  C C   . THR A 1 77  ? 4.412   -8.038  8.919   1.00 10.22 ? 91  THR A C   1 
ATOM   574  O O   . THR A 1 77  ? 4.426   -7.175  9.801   1.00 11.49 ? 91  THR A O   1 
ATOM   575  C CB  . THR A 1 77  ? 5.328   -6.963  6.859   1.00 10.86 ? 91  THR A CB  1 
ATOM   576  O OG1 . THR A 1 77  ? 5.683   -5.794  7.611   1.00 12.31 ? 91  THR A OG1 1 
ATOM   577  C CG2 . THR A 1 77  ? 5.049   -6.571  5.418   1.00 11.56 ? 91  THR A CG2 1 
ATOM   578  N N   . TRP A 1 78  ? 4.655   -9.327  9.145   1.00 9.46  ? 92  TRP A N   1 
ATOM   579  C CA  . TRP A 1 78  ? 5.129   -9.839  10.425  1.00 10.39 ? 92  TRP A CA  1 
ATOM   580  C C   . TRP A 1 78  ? 6.596   -10.219 10.272  1.00 9.88  ? 92  TRP A C   1 
ATOM   581  O O   . TRP A 1 78  ? 6.963   -10.905 9.312   1.00 10.94 ? 92  TRP A O   1 
ATOM   582  C CB  . TRP A 1 78  ? 4.375   -11.103 10.845  1.00 10.42 ? 92  TRP A CB  1 
ATOM   583  C CG  . TRP A 1 78  ? 2.926   -10.955 11.242  1.00 10.95 ? 92  TRP A CG  1 
ATOM   584  C CD1 . TRP A 1 78  ? 2.411   -10.947 12.514  1.00 10.19 ? 92  TRP A CD1 1 
ATOM   585  C CD2 . TRP A 1 78  ? 1.802   -10.867 10.358  1.00 10.43 ? 92  TRP A CD2 1 
ATOM   586  N NE1 . TRP A 1 78  ? 1.041   -10.844 12.474  1.00 10.76 ? 92  TRP A NE1 1 
ATOM   587  C CE2 . TRP A 1 78  ? 0.640   -10.781 11.161  1.00 10.85 ? 92  TRP A CE2 1 
ATOM   588  C CE3 . TRP A 1 78  ? 1.664   -10.827 8.968   1.00 10.83 ? 92  TRP A CE3 1 
ATOM   589  C CZ2 . TRP A 1 78  ? -0.637  -10.672 10.609  1.00 12.36 ? 92  TRP A CZ2 1 
ATOM   590  C CZ3 . TRP A 1 78  ? 0.397   -10.723 8.425   1.00 10.67 ? 92  TRP A CZ3 1 
ATOM   591  C CH2 . TRP A 1 78  ? -0.735  -10.644 9.240   1.00 11.31 ? 92  TRP A CH2 1 
ATOM   592  N N   . SER A 1 79  ? 7.429   -9.797  11.224  1.00 10.57 ? 93  SER A N   1 
ATOM   593  C CA  . SER A 1 79  ? 8.854   -10.107 11.244  1.00 11.81 ? 93  SER A CA  1 
ATOM   594  C C   . SER A 1 79  ? 9.175   -10.723 12.599  1.00 11.24 ? 93  SER A C   1 
ATOM   595  O O   . SER A 1 79  ? 8.807   -10.163 13.640  1.00 11.37 ? 93  SER A O   1 
ATOM   596  C CB  . SER A 1 79  ? 9.649   -8.816  11.087  1.00 12.64 ? 93  SER A CB  1 
ATOM   597  O OG  . SER A 1 79  ? 11.049  -9.059  11.071  1.00 13.21 ? 93  SER A OG  1 
ATOM   598  N N   . GLY A 1 80  ? 9.833   -11.874 12.611  1.00 10.82 ? 94  GLY A N   1 
ATOM   599  C CA  . GLY A 1 80  ? 10.087  -12.509 13.891  1.00 12.00 ? 94  GLY A CA  1 
ATOM   600  C C   . GLY A 1 80  ? 10.945  -13.747 13.805  1.00 11.44 ? 94  GLY A C   1 
ATOM   601  O O   . GLY A 1 80  ? 11.764  -13.895 12.896  1.00 11.21 ? 94  GLY A O   1 
ATOM   602  N N   . GLN A 1 81  ? 10.783  -14.625 14.797  1.00 12.48 ? 95  GLN A N   1 
ATOM   603  C CA  . GLN A 1 81  ? 11.549  -15.858 14.820  1.00 13.52 ? 95  GLN A CA  1 
ATOM   604  C C   . GLN A 1 81  ? 10.740  -16.987 15.442  1.00 12.06 ? 95  GLN A C   1 
ATOM   605  O O   . GLN A 1 81  ? 9.922   -16.774 16.347  1.00 13.22 ? 95  GLN A O   1 
ATOM   606  C CB  . GLN A 1 81  ? 12.899  -15.697 15.529  1.00 15.81 ? 95  GLN A CB  1 
ATOM   607  C CG  . GLN A 1 81  ? 12.822  -15.171 16.958  1.00 16.73 ? 95  GLN A CG  1 
ATOM   608  C CD  . GLN A 1 81  ? 14.201  -15.037 17.597  1.00 16.93 ? 95  GLN A CD  1 
ATOM   609  O OE1 . GLN A 1 81  ? 15.083  -15.865 17.370  1.00 16.64 ? 95  GLN A OE1 1 
ATOM   610  N NE2 . GLN A 1 81  ? 14.389  -13.990 18.397  1.00 18.02 ? 95  GLN A NE2 1 
ATOM   611  N N   . TYR A 1 82  ? 10.981  -18.188 14.925  1.00 12.88 ? 96  TYR A N   1 
ATOM   612  C CA  . TYR A 1 82  ? 10.436  -19.431 15.446  1.00 15.29 ? 96  TYR A CA  1 
ATOM   613  C C   . TYR A 1 82  ? 11.355  -19.937 16.546  1.00 15.57 ? 96  TYR A C   1 
ATOM   614  O O   . TYR A 1 82  ? 12.578  -19.986 16.365  1.00 16.10 ? 96  TYR A O   1 
ATOM   615  C CB  . TYR A 1 82  ? 10.374  -20.457 14.312  1.00 16.80 ? 96  TYR A CB  1 
ATOM   616  C CG  . TYR A 1 82  ? 10.171  -21.894 14.746  1.00 17.48 ? 96  TYR A CG  1 
ATOM   617  C CD1 . TYR A 1 82  ? 8.896   -22.402 14.953  1.00 18.07 ? 96  TYR A CD1 1 
ATOM   618  C CD2 . TYR A 1 82  ? 11.255  -22.751 14.919  1.00 19.68 ? 96  TYR A CD2 1 
ATOM   619  C CE1 . TYR A 1 82  ? 8.703   -23.712 15.339  1.00 19.35 ? 96  TYR A CE1 1 
ATOM   620  C CE2 . TYR A 1 82  ? 11.070  -24.065 15.308  1.00 19.75 ? 96  TYR A CE2 1 
ATOM   621  C CZ  . TYR A 1 82  ? 9.790   -24.539 15.517  1.00 20.51 ? 96  TYR A CZ  1 
ATOM   622  O OH  . TYR A 1 82  ? 9.602   -25.846 15.897  1.00 22.50 ? 96  TYR A OH  1 
ATOM   623  N N   . VAL A 1 83  ? 10.766  -20.307 17.683  1.00 16.16 ? 97  VAL A N   1 
ATOM   624  C CA  . VAL A 1 83  ? 11.499  -20.769 18.858  1.00 20.38 ? 97  VAL A CA  1 
ATOM   625  C C   . VAL A 1 83  ? 10.997  -22.171 19.172  1.00 23.32 ? 97  VAL A C   1 
ATOM   626  O O   . VAL A 1 83  ? 9.841   -22.346 19.582  1.00 24.30 ? 97  VAL A O   1 
ATOM   627  C CB  . VAL A 1 83  ? 11.294  -19.831 20.055  1.00 20.78 ? 97  VAL A CB  1 
ATOM   628  C CG1 . VAL A 1 83  ? 12.140  -20.277 21.262  1.00 21.74 ? 97  VAL A CG1 1 
ATOM   629  C CG2 . VAL A 1 83  ? 11.610  -18.396 19.657  1.00 21.31 ? 97  VAL A CG2 1 
ATOM   630  N N   . GLY A 1 84  ? 11.851  -23.169 18.970  1.00 25.84 ? 98  GLY A N   1 
ATOM   631  C CA  . GLY A 1 84  ? 11.473  -24.531 19.279  1.00 28.78 ? 98  GLY A CA  1 
ATOM   632  C C   . GLY A 1 84  ? 11.368  -24.776 20.772  1.00 31.56 ? 98  GLY A C   1 
ATOM   633  O O   . GLY A 1 84  ? 11.885  -24.024 21.599  1.00 32.30 ? 98  GLY A O   1 
ATOM   634  N N   . GLY A 1 85  ? 10.675  -25.849 21.116  1.00 33.62 ? 99  GLY A N   1 
ATOM   635  C CA  . GLY A 1 85  ? 10.510  -26.217 22.506  1.00 35.04 ? 99  GLY A CA  1 
ATOM   636  C C   . GLY A 1 85  ? 9.264   -27.054 22.700  1.00 36.52 ? 99  GLY A C   1 
ATOM   637  O O   . GLY A 1 85  ? 8.534   -27.360 21.757  1.00 37.81 ? 99  GLY A O   1 
ATOM   638  N N   . ALA A 1 86  ? 9.042   -27.427 23.964  1.00 36.90 ? 100 ALA A N   1 
ATOM   639  C CA  . ALA A 1 86  ? 7.841   -28.181 24.309  1.00 36.91 ? 100 ALA A CA  1 
ATOM   640  C C   . ALA A 1 86  ? 6.586   -27.416 23.914  1.00 36.21 ? 100 ALA A C   1 
ATOM   641  O O   . ALA A 1 86  ? 5.591   -28.015 23.489  1.00 38.26 ? 100 ALA A O   1 
ATOM   642  C CB  . ALA A 1 86  ? 7.831   -28.499 25.803  1.00 37.24 ? 100 ALA A CB  1 
ATOM   643  N N   . GLU A 1 87  ? 6.616   -26.094 24.046  1.00 32.91 ? 101 GLU A N   1 
ATOM   644  C CA  . GLU A 1 87  ? 5.563   -25.212 23.555  1.00 29.71 ? 101 GLU A CA  1 
ATOM   645  C C   . GLU A 1 87  ? 6.211   -24.346 22.479  1.00 25.90 ? 101 GLU A C   1 
ATOM   646  O O   . GLU A 1 87  ? 6.696   -23.248 22.760  1.00 24.82 ? 101 GLU A O   1 
ATOM   647  C CB  . GLU A 1 87  ? 4.988   -24.366 24.687  1.00 30.23 ? 101 GLU A CB  1 
ATOM   648  C CG  . GLU A 1 87  ? 3.760   -23.560 24.297  0.58 30.83 ? 101 GLU A CG  1 
ATOM   649  C CD  . GLU A 1 87  ? 3.276   -22.660 25.418  0.38 31.59 ? 101 GLU A CD  1 
ATOM   650  O OE1 . GLU A 1 87  ? 4.122   -22.010 26.068  0.41 31.86 ? 101 GLU A OE1 1 
ATOM   651  O OE2 . GLU A 1 87  ? 2.051   -22.604 25.652  0.34 31.97 ? 101 GLU A OE2 1 
ATOM   652  N N   . ALA A 1 88  ? 6.226   -24.851 21.247  1.00 24.27 ? 102 ALA A N   1 
ATOM   653  C CA  . ALA A 1 88  ? 6.813   -24.102 20.145  1.00 23.31 ? 102 ALA A CA  1 
ATOM   654  C C   . ALA A 1 88  ? 6.082   -22.778 19.955  1.00 21.69 ? 102 ALA A C   1 
ATOM   655  O O   . ALA A 1 88  ? 4.875   -22.670 20.185  1.00 21.63 ? 102 ALA A O   1 
ATOM   656  C CB  . ALA A 1 88  ? 6.751   -24.918 18.854  1.00 24.85 ? 102 ALA A CB  1 
ATOM   657  N N   . ARG A 1 89  ? 6.826   -21.764 19.520  1.00 20.00 ? 103 ARG A N   1 
ATOM   658  C CA  . ARG A 1 89  ? 6.313   -20.404 19.488  1.00 18.96 ? 103 ARG A CA  1 
ATOM   659  C C   . ARG A 1 89  ? 6.925   -19.651 18.313  1.00 16.34 ? 103 ARG A C   1 
ATOM   660  O O   . ARG A 1 89  ? 8.083   -19.872 17.950  1.00 17.79 ? 103 ARG A O   1 
ATOM   661  C CB  . ARG A 1 89  ? 6.661   -19.701 20.807  1.00 22.22 ? 103 ARG A CB  1 
ATOM   662  C CG  . ARG A 1 89  ? 5.922   -18.410 21.064  0.80 23.68 ? 103 ARG A CG  1 
ATOM   663  C CD  . ARG A 1 89  ? 6.042   -18.009 22.538  1.00 23.94 ? 103 ARG A CD  1 
ATOM   664  N NE  . ARG A 1 89  ? 5.350   -18.933 23.432  1.00 25.08 ? 103 ARG A NE  1 
ATOM   665  C CZ  . ARG A 1 89  ? 4.111   -18.768 23.875  1.00 24.60 ? 103 ARG A CZ  1 
ATOM   666  N NH1 . ARG A 1 89  ? 3.386   -17.719 23.530  0.74 25.06 ? 103 ARG A NH1 1 
ATOM   667  N NH2 . ARG A 1 89  ? 3.588   -19.675 24.694  0.50 24.17 ? 103 ARG A NH2 1 
ATOM   668  N N   . ILE A 1 90  ? 6.134   -18.766 17.713  1.00 14.04 ? 104 ILE A N   1 
ATOM   669  C CA  . ILE A 1 90  ? 6.635   -17.793 16.742  1.00 12.75 ? 104 ILE A CA  1 
ATOM   670  C C   . ILE A 1 90  ? 6.361   -16.409 17.317  1.00 12.97 ? 104 ILE A C   1 
ATOM   671  O O   . ILE A 1 90  ? 5.198   -16.030 17.506  1.00 13.76 ? 104 ILE A O   1 
ATOM   672  C CB  . ILE A 1 90  ? 6.003   -17.957 15.351  1.00 13.02 ? 104 ILE A CB  1 
ATOM   673  C CG1 . ILE A 1 90  ? 6.348   -19.325 14.758  1.00 14.50 ? 104 ILE A CG1 1 
ATOM   674  C CG2 . ILE A 1 90  ? 6.454   -16.829 14.431  1.00 14.33 ? 104 ILE A CG2 1 
ATOM   675  C CD1 . ILE A 1 90  ? 5.694   -19.616 13.408  1.00 15.78 ? 104 ILE A CD1 1 
ATOM   676  N N   . ASN A 1 91  ? 7.423   -15.673 17.637  1.00 12.78 ? 105 ASN A N   1 
ATOM   677  C CA  . ASN A 1 91  ? 7.312   -14.346 18.234  1.00 12.58 ? 105 ASN A CA  1 
ATOM   678  C C   . ASN A 1 91  ? 7.586   -13.301 17.167  1.00 12.36 ? 105 ASN A C   1 
ATOM   679  O O   . ASN A 1 91  ? 8.625   -13.360 16.501  1.00 12.80 ? 105 ASN A O   1 
ATOM   680  C CB  . ASN A 1 91  ? 8.323   -14.188 19.368  1.00 14.75 ? 105 ASN A CB  1 
ATOM   681  C CG  . ASN A 1 91  ? 8.046   -15.124 20.515  1.00 17.09 ? 105 ASN A CG  1 
ATOM   682  O OD1 . ASN A 1 91  ? 6.890   -15.342 20.873  1.00 17.71 ? 105 ASN A OD1 1 
ATOM   683  N ND2 . ASN A 1 91  ? 9.099   -15.692 21.095  1.00 20.23 ? 105 ASN A ND2 1 
ATOM   684  N N   . THR A 1 92  ? 6.664   -12.350 17.005  1.00 11.54 ? 106 THR A N   1 
ATOM   685  C CA  . THR A 1 92  ? 6.738   -11.399 15.906  1.00 10.73 ? 106 THR A CA  1 
ATOM   686  C C   . THR A 1 92  ? 6.448   -9.973  16.355  1.00 10.86 ? 106 THR A C   1 
ATOM   687  O O   . THR A 1 92  ? 5.781   -9.726  17.370  1.00 11.77 ? 106 THR A O   1 
ATOM   688  C CB  . THR A 1 92  ? 5.737   -11.714 14.770  1.00 10.61 ? 106 THR A CB  1 
ATOM   689  O OG1 . THR A 1 92  ? 4.392   -11.410 15.190  1.00 12.30 ? 106 THR A OG1 1 
ATOM   690  C CG2 . THR A 1 92  ? 5.834   -13.171 14.341  1.00 11.96 ? 106 THR A CG2 1 
ATOM   691  N N   A GLN A 1 93  ? 6.936   -9.034  15.554  0.51 11.37 ? 107 GLN A N   1 
ATOM   692  N N   B GLN A 1 93  ? 7.001   -9.032  15.594  0.49 10.92 ? 107 GLN A N   1 
ATOM   693  C CA  A GLN A 1 93  ? 6.461   -7.663  15.559  0.51 12.53 ? 107 GLN A CA  1 
ATOM   694  C CA  B GLN A 1 93  ? 6.538   -7.657  15.506  0.49 12.03 ? 107 GLN A CA  1 
ATOM   695  C C   A GLN A 1 93  ? 5.997   -7.325  14.151  0.51 11.11 ? 107 GLN A C   1 
ATOM   696  C C   B GLN A 1 93  ? 5.853   -7.501  14.154  0.49 10.04 ? 107 GLN A C   1 
ATOM   697  O O   A GLN A 1 93  ? 6.572   -7.801  13.172  0.51 10.41 ? 107 GLN A O   1 
ATOM   698  O O   B GLN A 1 93  ? 6.145   -8.243  13.214  0.49 8.37  ? 107 GLN A O   1 
ATOM   699  C CB  A GLN A 1 93  ? 7.541   -6.705  16.054  0.51 12.59 ? 107 GLN A CB  1 
ATOM   700  C CB  B GLN A 1 93  ? 7.714   -6.676  15.594  0.49 13.56 ? 107 GLN A CB  1 
ATOM   701  C CG  A GLN A 1 93  ? 7.921   -6.981  17.505  0.51 12.54 ? 107 GLN A CG  1 
ATOM   702  C CG  B GLN A 1 93  ? 8.611   -6.855  16.811  0.49 15.24 ? 107 GLN A CG  1 
ATOM   703  C CD  A GLN A 1 93  ? 8.920   -5.989  18.051  0.51 12.34 ? 107 GLN A CD  1 
ATOM   704  C CD  B GLN A 1 93  ? 8.122   -6.094  18.032  0.49 15.55 ? 107 GLN A CD  1 
ATOM   705  O OE1 A GLN A 1 93  ? 8.545   -4.936  18.564  0.51 14.25 ? 107 GLN A OE1 1 
ATOM   706  O OE1 B GLN A 1 93  ? 8.600   -6.312  19.145  0.49 16.82 ? 107 GLN A OE1 1 
ATOM   707  N NE2 A GLN A 1 93  ? 10.203  -6.321  17.949  0.51 11.58 ? 107 GLN A NE2 1 
ATOM   708  N NE2 B GLN A 1 93  ? 7.170   -5.190  17.827  0.49 15.11 ? 107 GLN A NE2 1 
ATOM   709  N N   . TRP A 1 94  ? 4.933   -6.540  14.046  1.00 9.39  ? 108 TRP A N   1 
ATOM   710  C CA  . TRP A 1 94  ? 4.263   -6.322  12.768  1.00 9.85  ? 108 TRP A CA  1 
ATOM   711  C C   . TRP A 1 94  ? 4.052   -4.846  12.460  1.00 9.91  ? 108 TRP A C   1 
ATOM   712  O O   . TRP A 1 94  ? 4.010   -3.992  13.352  1.00 10.29 ? 108 TRP A O   1 
ATOM   713  C CB  . TRP A 1 94  ? 2.938   -7.094  12.645  1.00 10.03 ? 108 TRP A CB  1 
ATOM   714  C CG  . TRP A 1 94  ? 1.950   -6.877  13.768  1.00 10.53 ? 108 TRP A CG  1 
ATOM   715  C CD1 . TRP A 1 94  ? 1.730   -7.708  14.834  1.00 10.79 ? 108 TRP A CD1 1 
ATOM   716  C CD2 . TRP A 1 94  ? 1.019   -5.787  13.912  1.00 10.97 ? 108 TRP A CD2 1 
ATOM   717  N NE1 . TRP A 1 94  ? 0.732   -7.196  15.640  1.00 10.82 ? 108 TRP A NE1 1 
ATOM   718  C CE2 . TRP A 1 94  ? 0.287   -6.013  15.102  1.00 11.03 ? 108 TRP A CE2 1 
ATOM   719  C CE3 . TRP A 1 94  ? 0.753   -4.630  13.167  1.00 11.01 ? 108 TRP A CE3 1 
ATOM   720  C CZ2 . TRP A 1 94  ? -0.724  -5.136  15.547  1.00 10.71 ? 108 TRP A CZ2 1 
ATOM   721  C CZ3 . TRP A 1 94  ? -0.224  -3.758  13.609  1.00 12.14 ? 108 TRP A CZ3 1 
ATOM   722  C CH2 . TRP A 1 94  ? -0.955  -4.012  14.795  1.00 11.20 ? 108 TRP A CH2 1 
ATOM   723  N N   . LEU A 1 95  ? 3.898   -4.578  11.157  1.00 10.63 ? 109 LEU A N   1 
ATOM   724  C CA  . LEU A 1 95  ? 3.605   -3.258  10.616  1.00 10.16 ? 109 LEU A CA  1 
ATOM   725  C C   . LEU A 1 95  ? 2.424   -3.397  9.673   1.00 10.54 ? 109 LEU A C   1 
ATOM   726  O O   . LEU A 1 95  ? 2.465   -4.204  8.739   1.00 12.14 ? 109 LEU A O   1 
ATOM   727  C CB  . LEU A 1 95  ? 4.789   -2.702  9.812   1.00 10.72 ? 109 LEU A CB  1 
ATOM   728  C CG  . LEU A 1 95  ? 6.078   -2.424  10.590  1.00 12.14 ? 109 LEU A CG  1 
ATOM   729  C CD1 . LEU A 1 95  ? 7.202   -2.072  9.629   1.00 12.78 ? 109 LEU A CD1 1 
ATOM   730  C CD2 . LEU A 1 95  ? 5.891   -1.313  11.620  1.00 12.70 ? 109 LEU A CD2 1 
ATOM   731  N N   . LEU A 1 96  ? 1.387   -2.599  9.899   1.00 10.20 ? 110 LEU A N   1 
ATOM   732  C CA  . LEU A 1 96  ? 0.180   -2.610  9.077   1.00 10.78 ? 110 LEU A CA  1 
ATOM   733  C C   . LEU A 1 96  ? 0.047   -1.247  8.407   1.00 10.61 ? 110 LEU A C   1 
ATOM   734  O O   . LEU A 1 96  ? -0.287  -0.259  9.072   1.00 11.12 ? 110 LEU A O   1 
ATOM   735  C CB  . LEU A 1 96  ? -1.033  -2.928  9.958   1.00 11.43 ? 110 LEU A CB  1 
ATOM   736  C CG  . LEU A 1 96  ? -2.456  -2.699  9.442   1.00 12.64 ? 110 LEU A CG  1 
ATOM   737  C CD1 . LEU A 1 96  ? -2.657  -3.308  8.060   1.00 14.30 ? 110 LEU A CD1 1 
ATOM   738  C CD2 . LEU A 1 96  ? -3.486  -3.268  10.430  1.00 13.94 ? 110 LEU A CD2 1 
ATOM   739  N N   . THR A 1 97  ? 0.316   -1.187  7.095   1.00 10.37 ? 111 THR A N   1 
ATOM   740  C CA  . THR A 1 97  ? 0.266   0.063   6.345   1.00 10.45 ? 111 THR A CA  1 
ATOM   741  C C   . THR A 1 97  ? -0.991  0.096   5.486   1.00 11.76 ? 111 THR A C   1 
ATOM   742  O O   . THR A 1 97  ? -1.262  -0.853  4.746   1.00 12.20 ? 111 THR A O   1 
ATOM   743  C CB  . THR A 1 97  ? 1.495   0.222   5.437   1.00 11.36 ? 111 THR A CB  1 
ATOM   744  O OG1 . THR A 1 97  ? 2.697   0.102   6.212   1.00 11.73 ? 111 THR A OG1 1 
ATOM   745  C CG2 . THR A 1 97  ? 1.481   1.585   4.781   1.00 13.21 ? 111 THR A CG2 1 
ATOM   746  N N   . SER A 1 98  ? -1.759  1.176   5.607   1.00 10.75 ? 112 SER A N   1 
ATOM   747  C CA  . SER A 1 98  ? -2.914  1.424   4.755   1.00 12.10 ? 112 SER A CA  1 
ATOM   748  C C   . SER A 1 98  ? -2.514  2.330   3.599   1.00 12.94 ? 112 SER A C   1 
ATOM   749  O O   . SER A 1 98  ? -1.649  3.196   3.740   1.00 16.23 ? 112 SER A O   1 
ATOM   750  C CB  . SER A 1 98  ? -4.021  2.131   5.544   1.00 14.63 ? 112 SER A CB  1 
ATOM   751  O OG  . SER A 1 98  ? -4.501  1.325   6.601   1.00 14.85 ? 112 SER A OG  1 
ATOM   752  N N   . GLY A 1 99  ? -3.154  2.127   2.449   1.00 12.75 ? 113 GLY A N   1 
ATOM   753  C CA  . GLY A 1 99  ? -3.031  3.095   1.371   1.00 14.17 ? 113 GLY A CA  1 
ATOM   754  C C   . GLY A 1 99  ? -3.713  4.391   1.766   1.00 14.12 ? 113 GLY A C   1 
ATOM   755  O O   . GLY A 1 99  ? -4.875  4.389   2.192   1.00 16.31 ? 113 GLY A O   1 
ATOM   756  N N   . THR A 1 100 ? -2.995  5.507   1.636   1.00 15.55 ? 114 THR A N   1 
ATOM   757  C CA  . THR A 1 100 ? -3.502  6.807   2.054   1.00 15.16 ? 114 THR A CA  1 
ATOM   758  C C   . THR A 1 100 ? -3.122  7.862   1.025   1.00 15.15 ? 114 THR A C   1 
ATOM   759  O O   . THR A 1 100 ? -2.274  7.645   0.154   1.00 15.46 ? 114 THR A O   1 
ATOM   760  C CB  . THR A 1 100 ? -2.898  7.260   3.397   1.00 14.43 ? 114 THR A CB  1 
ATOM   761  O OG1 . THR A 1 100 ? -1.498  7.533   3.228   1.00 15.20 ? 114 THR A OG1 1 
ATOM   762  C CG2 . THR A 1 100 ? -3.077  6.209   4.483   1.00 15.63 ? 114 THR A CG2 1 
ATOM   763  N N   . THR A 1 101 ? -3.737  9.032   1.164   1.00 16.10 ? 115 THR A N   1 
ATOM   764  C CA  . THR A 1 101 ? -3.245  10.214  0.479   1.00 16.55 ? 115 THR A CA  1 
ATOM   765  C C   . THR A 1 101 ? -1.929  10.665  1.112   1.00 15.08 ? 115 THR A C   1 
ATOM   766  O O   . THR A 1 101 ? -1.550  10.237  2.208   1.00 15.15 ? 115 THR A O   1 
ATOM   767  C CB  . THR A 1 101 ? -4.252  11.357  0.592   1.00 17.19 ? 115 THR A CB  1 
ATOM   768  O OG1 . THR A 1 101 ? -4.426  11.696  1.974   1.00 17.22 ? 115 THR A OG1 1 
ATOM   769  C CG2 . THR A 1 101 ? -5.595  10.957  -0.002  1.00 18.40 ? 115 THR A CG2 1 
ATOM   770  N N   . GLU A 1 102 ? -1.236  11.562  0.411   1.00 16.36 ? 116 GLU A N   1 
ATOM   771  C CA  . GLU A 1 102 ? 0.010   12.108  0.937   1.00 17.08 ? 116 GLU A CA  1 
ATOM   772  C C   . GLU A 1 102 ? -0.221  12.855  2.246   1.00 17.25 ? 116 GLU A C   1 
ATOM   773  O O   . GLU A 1 102 ? 0.573   12.737  3.186   1.00 17.97 ? 116 GLU A O   1 
ATOM   774  C CB  . GLU A 1 102 ? 0.666   13.012  -0.106  1.00 19.24 ? 116 GLU A CB  1 
ATOM   775  C CG  . GLU A 1 102 ? 1.219   12.251  -1.298  0.64 22.03 ? 116 GLU A CG  1 
ATOM   776  C CD  . GLU A 1 102 ? 1.820   13.160  -2.353  0.54 25.41 ? 116 GLU A CD  1 
ATOM   777  O OE1 . GLU A 1 102 ? 1.692   14.397  -2.223  0.45 26.46 ? 116 GLU A OE1 1 
ATOM   778  O OE2 . GLU A 1 102 ? 2.422   12.637  -3.314  0.70 27.38 ? 116 GLU A OE2 1 
ATOM   779  N N   . ALA A 1 103 ? -1.327  13.601  2.340   1.00 17.49 ? 117 ALA A N   1 
ATOM   780  C CA  . ALA A 1 103 ? -1.601  14.369  3.549   1.00 18.23 ? 117 ALA A CA  1 
ATOM   781  C C   . ALA A 1 103 ? -1.851  13.466  4.750   1.00 17.29 ? 117 ALA A C   1 
ATOM   782  O O   . ALA A 1 103 ? -1.617  13.876  5.895   1.00 18.96 ? 117 ALA A O   1 
ATOM   783  C CB  . ALA A 1 103 ? -2.791  15.303  3.330   1.00 18.76 ? 117 ALA A CB  1 
ATOM   784  N N   . ASN A 1 104 ? -2.315  12.240  4.517   1.00 16.28 ? 118 ASN A N   1 
ATOM   785  C CA  . ASN A 1 104 ? -2.610  11.305  5.595   1.00 15.29 ? 118 ASN A CA  1 
ATOM   786  C C   . ASN A 1 104 ? -1.526  10.255  5.798   1.00 14.25 ? 118 ASN A C   1 
ATOM   787  O O   . ASN A 1 104 ? -1.691  9.371   6.647   1.00 14.93 ? 118 ASN A O   1 
ATOM   788  C CB  . ASN A 1 104 ? -3.965  10.629  5.355   1.00 16.75 ? 118 ASN A CB  1 
ATOM   789  C CG  . ASN A 1 104 ? -5.129  11.590  5.495   1.00 18.36 ? 118 ASN A CG  1 
ATOM   790  O OD1 . ASN A 1 104 ? -5.076  12.544  6.278   1.00 20.30 ? 118 ASN A OD1 1 
ATOM   791  N ND2 . ASN A 1 104 ? -6.191  11.345  4.736   1.00 18.21 ? 118 ASN A ND2 1 
ATOM   792  N N   . ALA A 1 105 ? -0.416  10.339  5.058   1.00 14.84 ? 119 ALA A N   1 
ATOM   793  C CA  . ALA A 1 105 ? 0.608   9.304   5.142   1.00 14.87 ? 119 ALA A CA  1 
ATOM   794  C C   . ALA A 1 105 ? 1.214   9.210   6.537   1.00 14.60 ? 119 ALA A C   1 
ATOM   795  O O   . ALA A 1 105 ? 1.647   8.129   6.947   1.00 15.14 ? 119 ALA A O   1 
ATOM   796  C CB  . ALA A 1 105 ? 1.692   9.554   4.097   1.00 14.84 ? 119 ALA A CB  1 
ATOM   797  N N   . TRP A 1 106 ? 1.223   10.316  7.290   1.00 15.61 ? 120 TRP A N   1 
ATOM   798  C CA  . TRP A 1 106 ? 1.815   10.302  8.625   1.00 16.76 ? 120 TRP A CA  1 
ATOM   799  C C   . TRP A 1 106 ? 1.126   9.299   9.542   1.00 16.44 ? 120 TRP A C   1 
ATOM   800  O O   . TRP A 1 106 ? 1.750   8.790   10.481  1.00 17.66 ? 120 TRP A O   1 
ATOM   801  C CB  . TRP A 1 106 ? 1.767   11.704  9.236   1.00 18.08 ? 120 TRP A CB  1 
ATOM   802  C CG  . TRP A 1 106 ? 0.378   12.156  9.583   1.00 18.67 ? 120 TRP A CG  1 
ATOM   803  C CD1 . TRP A 1 106 ? -0.507  12.783  8.758   1.00 18.84 ? 120 TRP A CD1 1 
ATOM   804  C CD2 . TRP A 1 106 ? -0.284  12.005  10.845  1.00 18.67 ? 120 TRP A CD2 1 
ATOM   805  N NE1 . TRP A 1 106 ? -1.682  13.035  9.427   1.00 18.74 ? 120 TRP A NE1 1 
ATOM   806  C CE2 . TRP A 1 106 ? -1.571  12.567  10.710  1.00 19.29 ? 120 TRP A CE2 1 
ATOM   807  C CE3 . TRP A 1 106 ? 0.084   11.446  12.075  1.00 20.53 ? 120 TRP A CE3 1 
ATOM   808  C CZ2 . TRP A 1 106 ? -2.492  12.592  11.759  1.00 20.68 ? 120 TRP A CZ2 1 
ATOM   809  C CZ3 . TRP A 1 106 ? -0.830  11.473  13.117  1.00 20.94 ? 120 TRP A CZ3 1 
ATOM   810  C CH2 . TRP A 1 106 ? -2.104  12.043  12.952  1.00 21.84 ? 120 TRP A CH2 1 
ATOM   811  N N   . LYS A 1 107 ? -0.150  9.005   9.296   1.00 15.94 ? 121 LYS A N   1 
ATOM   812  C CA  . LYS A 1 107 ? -0.914  8.066   10.110  1.00 16.36 ? 121 LYS A CA  1 
ATOM   813  C C   . LYS A 1 107 ? -1.236  6.770   9.366   1.00 14.94 ? 121 LYS A C   1 
ATOM   814  O O   . LYS A 1 107 ? -2.234  6.110   9.658   1.00 15.14 ? 121 LYS A O   1 
ATOM   815  C CB  . LYS A 1 107 ? -2.173  8.721   10.683  1.00 18.17 ? 121 LYS A CB  1 
ATOM   816  C CG  . LYS A 1 107 ? -3.104  9.355   9.644   1.00 18.78 ? 121 LYS A CG  1 
ATOM   817  C CD  . LYS A 1 107 ? -4.406  9.833   10.294  1.00 21.18 ? 121 LYS A CD  1 
ATOM   818  C CE  . LYS A 1 107 ? -5.288  10.598  9.313   1.00 23.15 ? 121 LYS A CE  1 
ATOM   819  N NZ  . LYS A 1 107 ? -6.600  10.976  9.936   1.00 25.00 ? 121 LYS A NZ  1 
ATOM   820  N N   . SER A 1 108 ? -0.387  6.389   8.410   1.00 13.00 ? 122 SER A N   1 
ATOM   821  C CA  . SER A 1 108 ? -0.651  5.225   7.578   1.00 11.99 ? 122 SER A CA  1 
ATOM   822  C C   . SER A 1 108 ? -0.302  3.890   8.222   1.00 10.89 ? 122 SER A C   1 
ATOM   823  O O   . SER A 1 108 ? -0.771  2.857   7.735   1.00 11.62 ? 122 SER A O   1 
ATOM   824  C CB  . SER A 1 108 ? 0.128   5.339   6.266   1.00 13.22 ? 122 SER A CB  1 
ATOM   825  O OG  . SER A 1 108 ? 1.522   5.326   6.515   1.00 14.80 ? 122 SER A OG  1 
ATOM   826  N N   . THR A 1 109 ? 0.556   3.857   9.246   1.00 10.63 ? 123 THR A N   1 
ATOM   827  C CA  . THR A 1 109 ? 1.164   2.602   9.683   1.00 10.00 ? 123 THR A CA  1 
ATOM   828  C C   . THR A 1 109 ? 0.940   2.351   11.171  1.00 10.52 ? 123 THR A C   1 
ATOM   829  O O   . THR A 1 109 ? 1.392   3.132   12.019  1.00 11.56 ? 123 THR A O   1 
ATOM   830  C CB  . THR A 1 109 ? 2.660   2.592   9.358   1.00 11.17 ? 123 THR A CB  1 
ATOM   831  O OG1 . THR A 1 109 ? 2.843   2.963   7.984   1.00 11.75 ? 123 THR A OG1 1 
ATOM   832  C CG2 . THR A 1 109 ? 3.241   1.210   9.584   1.00 11.85 ? 123 THR A CG2 1 
ATOM   833  N N   . LEU A 1 110 ? 0.269   1.244   11.481  1.00 10.80 ? 124 LEU A N   1 
ATOM   834  C CA  . LEU A 1 110 ? 0.158   0.742   12.846  1.00 11.22 ? 124 LEU A CA  1 
ATOM   835  C C   . LEU A 1 110 ? 1.279   -0.258  13.132  1.00 10.85 ? 124 LEU A C   1 
ATOM   836  O O   . LEU A 1 110 ? 1.794   -0.924  12.227  1.00 10.25 ? 124 LEU A O   1 
ATOM   837  C CB  . LEU A 1 110 ? -1.191  0.050   13.030  1.00 12.13 ? 124 LEU A CB  1 
ATOM   838  C CG  . LEU A 1 110 ? -2.454  0.919   13.016  1.00 12.33 ? 124 LEU A CG  1 
ATOM   839  C CD1 . LEU A 1 110 ? -3.717  0.081   12.816  1.00 13.50 ? 124 LEU A CD1 1 
ATOM   840  C CD2 . LEU A 1 110 ? -2.569  1.715   14.314  1.00 13.06 ? 124 LEU A CD2 1 
ATOM   841  N N   . VAL A 1 111 ? 1.645   -0.375  14.411  1.00 11.20 ? 125 VAL A N   1 
ATOM   842  C CA  . VAL A 1 111 ? 2.693   -1.293  14.854  1.00 10.01 ? 125 VAL A CA  1 
ATOM   843  C C   . VAL A 1 111 ? 2.198   -2.079  16.067  1.00 9.98  ? 125 VAL A C   1 
ATOM   844  O O   . VAL A 1 111 ? 1.485   -1.543  16.925  1.00 10.67 ? 125 VAL A O   1 
ATOM   845  C CB  . VAL A 1 111 ? 4.018   -0.556  15.165  1.00 11.09 ? 125 VAL A CB  1 
ATOM   846  C CG1 . VAL A 1 111 ? 3.836   0.463   16.289  1.00 11.97 ? 125 VAL A CG1 1 
ATOM   847  C CG2 . VAL A 1 111 ? 5.148   -1.535  15.508  1.00 11.29 ? 125 VAL A CG2 1 
ATOM   848  N N   . GLY A 1 112 ? 2.549   -3.360  16.121  1.00 10.26 ? 126 GLY A N   1 
ATOM   849  C CA  . GLY A 1 112 ? 2.217   -4.185  17.264  1.00 10.48 ? 126 GLY A CA  1 
ATOM   850  C C   . GLY A 1 112 ? 3.088   -5.420  17.322  1.00 10.40 ? 126 GLY A C   1 
ATOM   851  O O   . GLY A 1 112 ? 4.077   -5.537  16.596  1.00 10.99 ? 126 GLY A O   1 
ATOM   852  N N   . HIS A 1 113 ? 2.711   -6.349  18.202  1.00 12.14 ? 127 HIS A N   1 
ATOM   853  C CA  . HIS A 1 113 ? 3.449   -7.593  18.383  1.00 13.18 ? 127 HIS A CA  1 
ATOM   854  C C   . HIS A 1 113 ? 2.475   -8.745  18.575  1.00 11.86 ? 127 HIS A C   1 
ATOM   855  O O   . HIS A 1 113 ? 1.527   -8.633  19.360  1.00 13.59 ? 127 HIS A O   1 
ATOM   856  C CB  . HIS A 1 113 ? 4.427   -7.497  19.565  1.00 13.42 ? 127 HIS A CB  1 
ATOM   857  C CG  . HIS A 1 113 ? 3.807   -7.009  20.838  1.00 14.74 ? 127 HIS A CG  1 
ATOM   858  N ND1 . HIS A 1 113 ? 3.390   -7.864  21.833  1.00 16.03 ? 127 HIS A ND1 1 
ATOM   859  C CD2 . HIS A 1 113 ? 3.547   -5.756  21.284  1.00 14.95 ? 127 HIS A CD2 1 
ATOM   860  C CE1 . HIS A 1 113 ? 2.888   -7.161  22.834  1.00 16.94 ? 127 HIS A CE1 1 
ATOM   861  N NE2 . HIS A 1 113 ? 2.971   -5.880  22.527  1.00 16.45 ? 127 HIS A NE2 1 
ATOM   862  N N   . ASP A 1 114 ? 2.701   -9.843  17.849  1.00 11.39 ? 128 ASP A N   1 
ATOM   863  C CA  . ASP A 1 114 ? 1.875   -11.042 17.913  1.00 12.18 ? 128 ASP A CA  1 
ATOM   864  C C   . ASP A 1 114 ? 2.740   -12.241 18.266  1.00 11.89 ? 128 ASP A C   1 
ATOM   865  O O   . ASP A 1 114 ? 3.845   -12.399 17.735  1.00 12.73 ? 128 ASP A O   1 
ATOM   866  C CB  . ASP A 1 114 ? 1.239   -11.380 16.553  1.00 11.67 ? 128 ASP A CB  1 
ATOM   867  C CG  . ASP A 1 114 ? 0.049   -10.512 16.202  1.00 12.72 ? 128 ASP A CG  1 
ATOM   868  O OD1 . ASP A 1 114 ? -0.374  -9.654  17.012  1.00 12.49 ? 128 ASP A OD1 1 
ATOM   869  O OD2 . ASP A 1 114 ? -0.467  -10.697 15.080  1.00 13.23 ? 128 ASP A OD2 1 
ATOM   870  N N   A THR A 1 115 ? 2.247   -13.090 19.165  0.85 11.47 ? 129 THR A N   1 
ATOM   871  N N   B THR A 1 115 ? 2.196   -13.114 19.108  0.15 12.66 ? 129 THR A N   1 
ATOM   872  C CA  A THR A 1 115 ? 2.908   -14.350 19.475  0.85 13.28 ? 129 THR A CA  1 
ATOM   873  C CA  B THR A 1 115 ? 2.846   -14.350 19.510  0.15 13.53 ? 129 THR A CA  1 
ATOM   874  C C   A THR A 1 115 ? 1.981   -15.500 19.099  0.85 11.86 ? 129 THR A C   1 
ATOM   875  C C   B THR A 1 115 ? 1.956   -15.518 19.105  0.15 13.27 ? 129 THR A C   1 
ATOM   876  O O   A THR A 1 115 ? 0.780   -15.458 19.395  0.85 13.52 ? 129 THR A O   1 
ATOM   877  O O   B THR A 1 115 ? 0.764   -15.530 19.428  0.15 14.03 ? 129 THR A O   1 
ATOM   878  C CB  A THR A 1 115 ? 3.368   -14.413 20.944  0.85 14.99 ? 129 THR A CB  1 
ATOM   879  C CB  B THR A 1 115 ? 3.044   -14.353 21.023  0.15 14.33 ? 129 THR A CB  1 
ATOM   880  O OG1 A THR A 1 115 ? 4.066   -15.643 21.184  0.85 17.14 ? 129 THR A OG1 1 
ATOM   881  O OG1 B THR A 1 115 ? 3.744   -13.167 21.419  0.15 14.90 ? 129 THR A OG1 1 
ATOM   882  C CG2 A THR A 1 115 ? 2.190   -14.285 21.912  0.85 15.28 ? 129 THR A CG2 1 
ATOM   883  C CG2 B THR A 1 115 ? 3.842   -15.540 21.424  0.15 14.81 ? 129 THR A CG2 1 
ATOM   884  N N   . PHE A 1 116 ? 2.530   -16.494 18.403  1.00 12.70 ? 130 PHE A N   1 
ATOM   885  C CA  . PHE A 1 116 ? 1.776   -17.616 17.858  1.00 13.65 ? 130 PHE A CA  1 
ATOM   886  C C   . PHE A 1 116 ? 2.187   -18.921 18.527  1.00 13.69 ? 130 PHE A C   1 
ATOM   887  O O   . PHE A 1 116 ? 3.372   -19.152 18.791  1.00 14.72 ? 130 PHE A O   1 
ATOM   888  C CB  . PHE A 1 116 ? 2.013   -17.765 16.346  1.00 14.20 ? 130 PHE A CB  1 
ATOM   889  C CG  . PHE A 1 116 ? 1.577   -16.581 15.532  1.00 13.06 ? 130 PHE A CG  1 
ATOM   890  C CD1 . PHE A 1 116 ? 2.400   -15.470 15.385  1.00 12.80 ? 130 PHE A CD1 1 
ATOM   891  C CD2 . PHE A 1 116 ? 0.351   -16.592 14.881  1.00 11.87 ? 130 PHE A CD2 1 
ATOM   892  C CE1 . PHE A 1 116 ? 1.996   -14.382 14.618  1.00 12.03 ? 130 PHE A CE1 1 
ATOM   893  C CE2 . PHE A 1 116 ? -0.060  -15.512 14.111  1.00 13.26 ? 130 PHE A CE2 1 
ATOM   894  C CZ  . PHE A 1 116 ? 0.748   -14.402 13.987  1.00 12.07 ? 130 PHE A CZ  1 
ATOM   895  N N   . THR A 1 117 ? 1.201   -19.778 18.794  1.00 14.74 ? 131 THR A N   1 
ATOM   896  C CA  . THR A 1 117 ? 1.436   -21.145 19.240  1.00 16.90 ? 131 THR A CA  1 
ATOM   897  C C   . THR A 1 117 ? 0.525   -22.068 18.445  1.00 17.82 ? 131 THR A C   1 
ATOM   898  O O   . THR A 1 117 ? -0.405  -21.621 17.773  1.00 15.76 ? 131 THR A O   1 
ATOM   899  C CB  . THR A 1 117 ? 1.167   -21.321 20.745  1.00 19.46 ? 131 THR A CB  1 
ATOM   900  O OG1 . THR A 1 117 ? -0.224  -21.112 21.010  1.00 21.35 ? 131 THR A OG1 1 
ATOM   901  C CG2 . THR A 1 117 ? 1.985   -20.341 21.564  1.00 19.21 ? 131 THR A CG2 1 
ATOM   902  N N   . LYS A 1 118 ? 0.788   -23.371 18.528  1.00 20.57 ? 132 LYS A N   1 
ATOM   903  C CA  . LYS A 1 118 ? -0.056  -24.327 17.821  1.00 22.47 ? 132 LYS A CA  1 
ATOM   904  C C   . LYS A 1 118 ? -1.343  -24.656 18.571  1.00 23.21 ? 132 LYS A C   1 
ATOM   905  O O   . LYS A 1 118 ? -2.141  -25.461 18.079  1.00 24.04 ? 132 LYS A O   1 
ATOM   906  C CB  . LYS A 1 118 ? 0.740   -25.579 17.417  1.00 23.85 ? 132 LYS A CB  1 
ATOM   907  C CG  . LYS A 1 118 ? 1.723   -25.306 16.271  1.00 24.96 ? 132 LYS A CG  1 
ATOM   908  C CD  . LYS A 1 118 ? 2.396   -26.569 15.733  1.00 26.26 ? 132 LYS A CD  1 
ATOM   909  C CE  . LYS A 1 118 ? 3.387   -26.229 14.619  1.00 28.00 ? 132 LYS A CE  1 
ATOM   910  N NZ  . LYS A 1 118 ? 4.195   -27.398 14.163  1.00 29.29 ? 132 LYS A NZ  1 
ATOM   911  N N   . VAL A 1 119 ? -1.574  -24.027 19.724  1.00 23.58 ? 133 VAL A N   1 
ATOM   912  C CA  . VAL A 1 119 ? -2.799  -24.177 20.498  1.00 25.29 ? 133 VAL A CA  1 
ATOM   913  C C   . VAL A 1 119 ? -3.552  -22.853 20.450  1.00 25.58 ? 133 VAL A C   1 
ATOM   914  O O   . VAL A 1 119 ? -2.940  -21.781 20.496  1.00 26.48 ? 133 VAL A O   1 
ATOM   915  C CB  . VAL A 1 119 ? -2.464  -24.581 21.948  1.00 28.49 ? 133 VAL A CB  1 
ATOM   916  C CG1 . VAL A 1 119 ? -3.718  -24.648 22.792  1.00 29.87 ? 133 VAL A CG1 1 
ATOM   917  C CG2 . VAL A 1 119 ? -1.736  -25.918 21.962  1.00 29.23 ? 133 VAL A CG2 1 
ATOM   918  N N   . LYS A 1 120 ? -4.870  -22.924 20.321  1.00 26.50 ? 134 LYS A N   1 
ATOM   919  C CA  . LYS A 1 120 ? -5.663  -21.701 20.298  1.00 26.85 ? 134 LYS A CA  1 
ATOM   920  C C   . LYS A 1 120 ? -5.959  -21.263 21.728  1.00 28.31 ? 134 LYS A C   1 
ATOM   921  O O   . LYS A 1 120 ? -6.445  -22.069 22.524  1.00 28.83 ? 134 LYS A O   1 
ATOM   922  C CB  . LYS A 1 120 ? -6.976  -21.935 19.556  1.00 27.61 ? 134 LYS A CB  1 
ATOM   923  C CG  . LYS A 1 120 ? -7.709  -20.658 19.191  1.00 28.27 ? 134 LYS A CG  1 
ATOM   924  C CD  . LYS A 1 120 ? -8.878  -20.929 18.257  1.00 29.55 ? 134 LYS A CD  1 
ATOM   925  C CE  . LYS A 1 120 ? -9.580  -19.636 17.878  1.00 31.37 ? 134 LYS A CE  1 
ATOM   926  N NZ  . LYS A 1 120 ? -10.721 -19.866 16.948  1.00 32.99 ? 134 LYS A NZ  1 
ATOM   927  N N   . PRO A 1 121 ? -5.676  -20.003 22.094  1.00 29.88 ? 135 PRO A N   1 
ATOM   928  C CA  . PRO A 1 121 ? -5.934  -19.544 23.466  1.00 32.43 ? 135 PRO A CA  1 
ATOM   929  C C   . PRO A 1 121 ? -7.410  -19.642 23.838  1.00 35.25 ? 135 PRO A C   1 
ATOM   930  O O   . PRO A 1 121 ? -8.284  -19.540 22.976  1.00 36.16 ? 135 PRO A O   1 
ATOM   931  C CB  . PRO A 1 121 ? -5.501  -18.075 23.430  1.00 32.66 ? 135 PRO A CB  1 
ATOM   932  C CG  . PRO A 1 121 ? -4.529  -17.990 22.303  1.00 32.21 ? 135 PRO A CG  1 
ATOM   933  C CD  . PRO A 1 121 ? -5.031  -18.963 21.273  1.00 31.05 ? 135 PRO A CD  1 
ATOM   934  O OXT . PRO A 1 121 ? -7.762  -19.831 25.005  1.00 36.96 ? 135 PRO A OXT 1 
ATOM   935  N N   . GLY B 1 2   ? -3.312  6.064   40.222  1.00 22.42 ? 16  GLY B N   1 
ATOM   936  C CA  . GLY B 1 2   ? -3.050  4.698   39.802  1.00 21.88 ? 16  GLY B CA  1 
ATOM   937  C C   . GLY B 1 2   ? -1.665  4.443   39.226  1.00 18.70 ? 16  GLY B C   1 
ATOM   938  O O   . GLY B 1 2   ? -1.115  3.354   39.390  1.00 19.00 ? 16  GLY B O   1 
ATOM   939  N N   . ILE B 1 3   ? -1.097  5.440   38.545  1.00 16.46 ? 17  ILE B N   1 
ATOM   940  C CA  . ILE B 1 3   ? 0.221   5.263   37.932  1.00 14.22 ? 17  ILE B CA  1 
ATOM   941  C C   . ILE B 1 3   ? 1.341   5.357   38.967  1.00 14.84 ? 17  ILE B C   1 
ATOM   942  O O   . ILE B 1 3   ? 2.327   4.615   38.895  1.00 14.20 ? 17  ILE B O   1 
ATOM   943  C CB  . ILE B 1 3   ? 0.410   6.268   36.781  1.00 14.30 ? 17  ILE B CB  1 
ATOM   944  C CG1 . ILE B 1 3   ? -0.505  5.924   35.606  1.00 16.71 ? 17  ILE B CG1 1 
ATOM   945  C CG2 . ILE B 1 3   ? 1.867   6.282   36.310  1.00 14.32 ? 17  ILE B CG2 1 
ATOM   946  C CD1 . ILE B 1 3   ? -0.480  6.958   34.513  1.00 17.14 ? 17  ILE B CD1 1 
ATOM   947  N N   . THR B 1 4   ? 1.226   6.273   39.928  1.00 13.98 ? 18  THR B N   1 
ATOM   948  C CA  . THR B 1 4   ? 2.312   6.489   40.877  1.00 13.79 ? 18  THR B CA  1 
ATOM   949  C C   . THR B 1 4   ? 2.621   5.207   41.641  1.00 13.48 ? 18  THR B C   1 
ATOM   950  O O   . THR B 1 4   ? 1.713   4.553   42.172  1.00 14.78 ? 18  THR B O   1 
ATOM   951  C CB  . THR B 1 4   ? 1.927   7.598   41.860  1.00 13.56 ? 18  THR B CB  1 
ATOM   952  O OG1 . THR B 1 4   ? 1.859   8.851   41.172  1.00 14.08 ? 18  THR B OG1 1 
ATOM   953  C CG2 . THR B 1 4   ? 2.948   7.703   43.000  1.00 13.81 ? 18  THR B CG2 1 
ATOM   954  N N   . GLY B 1 5   ? 3.905   4.846   41.683  1.00 13.41 ? 19  GLY B N   1 
ATOM   955  C CA  . GLY B 1 5   ? 4.384   3.730   42.469  1.00 12.87 ? 19  GLY B CA  1 
ATOM   956  C C   . GLY B 1 5   ? 5.419   2.925   41.699  1.00 11.46 ? 19  GLY B C   1 
ATOM   957  O O   . GLY B 1 5   ? 6.030   3.412   40.745  1.00 12.36 ? 19  GLY B O   1 
ATOM   958  N N   . THR B 1 6   ? 5.580   1.670   42.116  1.00 12.16 ? 20  THR B N   1 
ATOM   959  C CA  . THR B 1 6   ? 6.632   0.778   41.638  1.00 13.20 ? 20  THR B CA  1 
ATOM   960  C C   . THR B 1 6   ? 6.032   -0.223  40.660  1.00 12.70 ? 20  THR B C   1 
ATOM   961  O O   . THR B 1 6   ? 4.977   -0.813  40.922  1.00 14.74 ? 20  THR B O   1 
ATOM   962  C CB  . THR B 1 6   ? 7.274   0.035   42.817  1.00 14.65 ? 20  THR B CB  1 
ATOM   963  O OG1 . THR B 1 6   ? 7.701   0.982   43.800  1.00 16.02 ? 20  THR B OG1 1 
ATOM   964  C CG2 . THR B 1 6   ? 8.487   -0.783  42.362  1.00 14.80 ? 20  THR B CG2 1 
ATOM   965  N N   . TRP B 1 7   ? 6.708   -0.409  39.535  1.00 11.71 ? 21  TRP B N   1 
ATOM   966  C CA  . TRP B 1 7   ? 6.251   -1.301  38.486  1.00 13.33 ? 21  TRP B CA  1 
ATOM   967  C C   . TRP B 1 7   ? 7.383   -2.244  38.096  1.00 12.65 ? 21  TRP B C   1 
ATOM   968  O O   . TRP B 1 7   ? 8.569   -1.909  38.211  1.00 13.25 ? 21  TRP B O   1 
ATOM   969  C CB  . TRP B 1 7   ? 5.801   -0.498  37.263  1.00 13.25 ? 21  TRP B CB  1 
ATOM   970  C CG  . TRP B 1 7   ? 4.561   0.322   37.504  1.00 12.13 ? 21  TRP B CG  1 
ATOM   971  C CD1 . TRP B 1 7   ? 4.495   1.590   38.021  1.00 11.90 ? 21  TRP B CD1 1 
ATOM   972  C CD2 . TRP B 1 7   ? 3.213   -0.071  37.225  1.00 11.87 ? 21  TRP B CD2 1 
ATOM   973  N NE1 . TRP B 1 7   ? 3.172   2.001   38.092  1.00 12.65 ? 21  TRP B NE1 1 
ATOM   974  C CE2 . TRP B 1 7   ? 2.372   1.002   37.601  1.00 11.81 ? 21  TRP B CE2 1 
ATOM   975  C CE3 . TRP B 1 7   ? 2.635   -1.227  36.691  1.00 13.50 ? 21  TRP B CE3 1 
ATOM   976  C CZ2 . TRP B 1 7   ? 0.982   0.948   37.456  1.00 13.04 ? 21  TRP B CZ2 1 
ATOM   977  C CZ3 . TRP B 1 7   ? 1.260   -1.278  36.547  1.00 12.93 ? 21  TRP B CZ3 1 
ATOM   978  C CH2 . TRP B 1 7   ? 0.450   -0.200  36.937  1.00 13.37 ? 21  TRP B CH2 1 
ATOM   979  N N   . TYR B 1 8   ? 7.005   -3.430  37.622  1.00 12.98 ? 22  TYR B N   1 
ATOM   980  C CA  . TYR B 1 8   ? 7.947   -4.493  37.297  1.00 14.22 ? 22  TYR B CA  1 
ATOM   981  C C   . TYR B 1 8   ? 7.626   -5.016  35.907  1.00 13.95 ? 22  TYR B C   1 
ATOM   982  O O   . TYR B 1 8   ? 6.466   -5.307  35.614  1.00 13.85 ? 22  TYR B O   1 
ATOM   983  C CB  . TYR B 1 8   ? 7.800   -5.638  38.308  1.00 14.52 ? 22  TYR B CB  1 
ATOM   984  C CG  . TYR B 1 8   ? 7.941   -5.206  39.750  1.00 14.27 ? 22  TYR B CG  1 
ATOM   985  C CD1 . TYR B 1 8   ? 9.187   -5.158  40.360  1.00 15.62 ? 22  TYR B CD1 1 
ATOM   986  C CD2 . TYR B 1 8   ? 6.822   -4.855  40.511  1.00 15.95 ? 22  TYR B CD2 1 
ATOM   987  C CE1 . TYR B 1 8   ? 9.319   -4.770  41.686  1.00 15.53 ? 22  TYR B CE1 1 
ATOM   988  C CE2 . TYR B 1 8   ? 6.948   -4.460  41.837  1.00 15.65 ? 22  TYR B CE2 1 
ATOM   989  C CZ  . TYR B 1 8   ? 8.199   -4.424  42.417  1.00 14.65 ? 22  TYR B CZ  1 
ATOM   990  O OH  . TYR B 1 8   ? 8.332   -4.034  43.729  1.00 15.70 ? 22  TYR B OH  1 
ATOM   991  N N   . ASN B 1 9   ? 8.643   -5.150  35.056  1.00 14.81 ? 23  ASN B N   1 
ATOM   992  C CA  . ASN B 1 9   ? 8.405   -5.704  33.729  1.00 17.12 ? 23  ASN B CA  1 
ATOM   993  C C   . ASN B 1 9   ? 8.589   -7.221  33.740  1.00 19.44 ? 23  ASN B C   1 
ATOM   994  O O   . ASN B 1 9   ? 8.860   -7.836  34.773  1.00 21.02 ? 23  ASN B O   1 
ATOM   995  C CB  . ASN B 1 9   ? 9.248   -5.007  32.656  1.00 18.37 ? 23  ASN B CB  1 
ATOM   996  C CG  . ASN B 1 9   ? 10.638  -5.607  32.504  1.00 19.53 ? 23  ASN B CG  1 
ATOM   997  O OD1 . ASN B 1 9   ? 11.177  -6.228  33.421  1.00 20.48 ? 23  ASN B OD1 1 
ATOM   998  N ND2 . ASN B 1 9   ? 11.230  -5.407  31.336  1.00 21.29 ? 23  ASN B ND2 1 
ATOM   999  N N   . GLN B 1 10  ? 8.458   -7.832  32.566  1.00 20.58 ? 24  GLN B N   1 
ATOM   1000 C CA  . GLN B 1 10  ? 8.533   -9.280  32.432  1.00 23.71 ? 24  GLN B CA  1 
ATOM   1001 C C   . GLN B 1 10  ? 9.958   -9.828  32.468  1.00 27.05 ? 24  GLN B C   1 
ATOM   1002 O O   . GLN B 1 10  ? 10.124  -11.051 32.421  1.00 29.14 ? 24  GLN B O   1 
ATOM   1003 C CB  . GLN B 1 10  ? 7.852   -9.721  31.131  1.00 23.28 ? 24  GLN B CB  1 
ATOM   1004 C CG  . GLN B 1 10  ? 8.568   -9.274  29.859  0.25 21.97 ? 24  GLN B CG  1 
ATOM   1005 C CD  . GLN B 1 10  ? 7.965   -8.026  29.239  0.39 20.61 ? 24  GLN B CD  1 
ATOM   1006 O OE1 . GLN B 1 10  ? 8.064   -6.926  29.788  1.00 18.05 ? 24  GLN B OE1 1 
ATOM   1007 N NE2 . GLN B 1 10  ? 7.329   -8.195  28.085  0.33 21.29 ? 24  GLN B NE2 1 
ATOM   1008 N N   . LEU B 1 11  ? 10.986  -8.975  32.560  1.00 27.82 ? 25  LEU B N   1 
ATOM   1009 C CA  . LEU B 1 11  ? 12.363  -9.422  32.365  1.00 28.26 ? 25  LEU B CA  1 
ATOM   1010 C C   . LEU B 1 11  ? 13.306  -9.000  33.489  1.00 28.38 ? 25  LEU B C   1 
ATOM   1011 O O   . LEU B 1 11  ? 14.524  -8.957  33.280  1.00 29.03 ? 25  LEU B O   1 
ATOM   1012 C CB  . LEU B 1 11  ? 12.913  -8.943  31.018  1.00 29.78 ? 25  LEU B CB  1 
ATOM   1013 C CG  . LEU B 1 11  ? 12.183  -9.398  29.753  1.00 31.40 ? 25  LEU B CG  1 
ATOM   1014 C CD1 . LEU B 1 11  ? 12.844  -8.807  28.516  1.00 32.64 ? 25  LEU B CD1 1 
ATOM   1015 C CD2 . LEU B 1 11  ? 12.138  -10.916 29.665  1.00 32.10 ? 25  LEU B CD2 1 
ATOM   1016 N N   . GLY B 1 12  ? 12.784  -8.681  34.668  1.00 27.21 ? 26  GLY B N   1 
ATOM   1017 C CA  . GLY B 1 12  ? 13.634  -8.348  35.794  1.00 26.76 ? 26  GLY B CA  1 
ATOM   1018 C C   . GLY B 1 12  ? 13.999  -6.888  35.936  1.00 25.26 ? 26  GLY B C   1 
ATOM   1019 O O   . GLY B 1 12  ? 14.946  -6.574  36.669  1.00 27.41 ? 26  GLY B O   1 
ATOM   1020 N N   . SER B 1 13  ? 13.297  -5.987  35.254  1.00 20.57 ? 27  SER B N   1 
ATOM   1021 C CA  . SER B 1 13  ? 13.480  -4.553  35.425  1.00 18.00 ? 27  SER B CA  1 
ATOM   1022 C C   . SER B 1 13  ? 12.397  -3.979  36.338  1.00 16.26 ? 27  SER B C   1 
ATOM   1023 O O   . SER B 1 13  ? 11.292  -4.515  36.455  1.00 16.89 ? 27  SER B O   1 
ATOM   1024 C CB  . SER B 1 13  ? 13.453  -3.835  34.072  1.00 18.56 ? 27  SER B CB  1 
ATOM   1025 O OG  . SER B 1 13  ? 14.555  -4.212  33.262  1.00 21.91 ? 27  SER B OG  1 
ATOM   1026 N N   . THR B 1 14  ? 12.722  -2.860  36.982  1.00 15.63 ? 28  THR B N   1 
ATOM   1027 C CA  . THR B 1 14  ? 11.804  -2.209  37.908  1.00 15.43 ? 28  THR B CA  1 
ATOM   1028 C C   . THR B 1 14  ? 11.882  -0.709  37.682  1.00 14.09 ? 28  THR B C   1 
ATOM   1029 O O   . THR B 1 14  ? 12.946  -0.185  37.360  1.00 16.91 ? 28  THR B O   1 
ATOM   1030 C CB  . THR B 1 14  ? 12.229  -2.479  39.367  1.00 20.10 ? 28  THR B CB  1 
ATOM   1031 O OG1 . THR B 1 14  ? 12.422  -3.884  39.569  1.00 24.01 ? 28  THR B OG1 1 
ATOM   1032 C CG2 . THR B 1 14  ? 11.173  -1.987  40.339  1.00 19.17 ? 28  THR B CG2 1 
ATOM   1033 N N   A PHE B 1 15  ? 10.756  -0.022  37.822  1.00 16.01 ? 29  PHE B N   1 
ATOM   1034 N N   B PHE B 1 15  ? 10.767  -0.004  37.888  0.00 14.64 ? 29  PHE B N   1 
ATOM   1035 C CA  A PHE B 1 15  ? 10.844  1.421   37.922  1.00 17.38 ? 29  PHE B CA  1 
ATOM   1036 C CA  B PHE B 1 15  ? 10.810  1.454   37.814  0.00 15.39 ? 29  PHE B CA  1 
ATOM   1037 C C   A PHE B 1 15  ? 9.884   1.937   38.972  1.00 16.99 ? 29  PHE B C   1 
ATOM   1038 C C   B PHE B 1 15  ? 9.786   2.090   38.746  0.00 16.34 ? 29  PHE B C   1 
ATOM   1039 O O   A PHE B 1 15  ? 8.888   1.298   39.316  1.00 18.30 ? 29  PHE B O   1 
ATOM   1040 O O   B PHE B 1 15  ? 8.628   1.662   38.789  0.00 16.37 ? 29  PHE B O   1 
ATOM   1041 C CB  A PHE B 1 15  ? 10.675  2.154   36.589  1.00 15.96 ? 29  PHE B CB  1 
ATOM   1042 C CB  B PHE B 1 15  ? 10.671  1.957   36.366  0.00 15.10 ? 29  PHE B CB  1 
ATOM   1043 C CG  A PHE B 1 15  ? 9.280   2.142   36.032  1.00 17.08 ? 29  PHE B CG  1 
ATOM   1044 C CG  B PHE B 1 15  ? 9.268   2.326   35.953  0.00 14.84 ? 29  PHE B CG  1 
ATOM   1045 C CD1 A PHE B 1 15  ? 8.365   3.122   36.388  1.00 19.21 ? 29  PHE B CD1 1 
ATOM   1046 C CD1 B PHE B 1 15  ? 8.355   1.358   35.576  0.00 14.73 ? 29  PHE B CD1 1 
ATOM   1047 C CD2 A PHE B 1 15  ? 8.905   1.187   35.105  1.00 16.83 ? 29  PHE B CD2 1 
ATOM   1048 C CD2 B PHE B 1 15  ? 8.884   3.653   35.889  0.00 14.73 ? 29  PHE B CD2 1 
ATOM   1049 C CE1 A PHE B 1 15  ? 7.098   3.136   35.832  1.00 18.07 ? 29  PHE B CE1 1 
ATOM   1050 C CE1 B PHE B 1 15  ? 7.077   1.714   35.171  0.00 14.64 ? 29  PHE B CE1 1 
ATOM   1051 C CE2 A PHE B 1 15  ? 7.642   1.199   34.542  1.00 17.32 ? 29  PHE B CE2 1 
ATOM   1052 C CE2 B PHE B 1 15  ? 7.614   4.008   35.486  0.00 14.64 ? 29  PHE B CE2 1 
ATOM   1053 C CZ  A PHE B 1 15  ? 6.737   2.166   34.912  1.00 16.96 ? 29  PHE B CZ  1 
ATOM   1054 C CZ  B PHE B 1 15  ? 6.708   3.039   35.133  0.00 14.60 ? 29  PHE B CZ  1 
ATOM   1055 N N   . ILE B 1 16  ? 10.224  3.105   39.494  1.00 17.15 ? 30  ILE B N   1 
ATOM   1056 C CA  . ILE B 1 16  ? 9.384   3.836   40.427  1.00 16.42 ? 30  ILE B CA  1 
ATOM   1057 C C   . ILE B 1 16  ? 9.088   5.176   39.780  1.00 15.07 ? 30  ILE B C   1 
ATOM   1058 O O   . ILE B 1 16  ? 9.993   5.836   39.256  1.00 15.70 ? 30  ILE B O   1 
ATOM   1059 C CB  . ILE B 1 16  ? 10.035  4.000   41.818  1.00 18.81 ? 30  ILE B CB  1 
ATOM   1060 C CG1 . ILE B 1 16  ? 10.422  2.639   42.409  1.00 22.67 ? 30  ILE B CG1 1 
ATOM   1061 C CG2 . ILE B 1 16  ? 9.075   4.717   42.772  1.00 21.16 ? 30  ILE B CG2 1 
ATOM   1062 C CD1 . ILE B 1 16  ? 11.779  2.104   41.953  1.00 26.68 ? 30  ILE B CD1 1 
ATOM   1063 N N   . VAL B 1 17  ? 7.822   5.560   39.775  1.00 13.62 ? 31  VAL B N   1 
ATOM   1064 C CA  . VAL B 1 17  ? 7.401   6.756   39.068  1.00 13.12 ? 31  VAL B CA  1 
ATOM   1065 C C   . VAL B 1 17  ? 6.418   7.525   39.936  1.00 12.61 ? 31  VAL B C   1 
ATOM   1066 O O   . VAL B 1 17  ? 5.654   6.945   40.717  1.00 13.83 ? 31  VAL B O   1 
ATOM   1067 C CB  . VAL B 1 17  ? 6.781   6.408   37.696  1.00 13.26 ? 31  VAL B CB  1 
ATOM   1068 C CG1 . VAL B 1 17  ? 5.452   5.672   37.868  1.00 14.01 ? 31  VAL B CG1 1 
ATOM   1069 C CG2 . VAL B 1 17  ? 6.610   7.650   36.829  1.00 14.09 ? 31  VAL B CG2 1 
ATOM   1070 N N   . THR B 1 18  ? 6.475   8.847   39.823  1.00 14.06 ? 32  THR B N   1 
ATOM   1071 C CA  . THR B 1 18  ? 5.447   9.728   40.357  1.00 14.39 ? 32  THR B CA  1 
ATOM   1072 C C   . THR B 1 18  ? 4.731   10.367  39.178  1.00 13.48 ? 32  THR B C   1 
ATOM   1073 O O   . THR B 1 18  ? 5.377   10.912  38.272  1.00 14.18 ? 32  THR B O   1 
ATOM   1074 C CB  . THR B 1 18  ? 6.045   10.805  41.262  1.00 17.29 ? 32  THR B CB  1 
ATOM   1075 O OG1 . THR B 1 18  ? 6.655   10.184  42.402  1.00 17.70 ? 32  THR B OG1 1 
ATOM   1076 C CG2 . THR B 1 18  ? 4.965   11.771  41.745  1.00 17.31 ? 32  THR B CG2 1 
ATOM   1077 N N   . ALA B 1 19  ? 3.408   10.252  39.165  1.00 13.22 ? 33  ALA B N   1 
ATOM   1078 C CA  . ALA B 1 19  ? 2.570   10.897  38.163  1.00 14.19 ? 33  ALA B CA  1 
ATOM   1079 C C   . ALA B 1 19  ? 2.035   12.181  38.785  1.00 15.08 ? 33  ALA B C   1 
ATOM   1080 O O   . ALA B 1 19  ? 1.205   12.137  39.702  1.00 17.01 ? 33  ALA B O   1 
ATOM   1081 C CB  . ALA B 1 19  ? 1.435   9.971   37.732  1.00 15.07 ? 33  ALA B CB  1 
ATOM   1082 N N   . GLY B 1 20  ? 2.536   13.320  38.310  1.00 14.85 ? 34  GLY B N   1 
ATOM   1083 C CA  . GLY B 1 20  ? 2.141   14.592  38.871  1.00 16.03 ? 34  GLY B CA  1 
ATOM   1084 C C   . GLY B 1 20  ? 0.811   15.085  38.328  1.00 16.86 ? 34  GLY B C   1 
ATOM   1085 O O   . GLY B 1 20  ? 0.351   14.678  37.261  1.00 15.91 ? 34  GLY B O   1 
ATOM   1086 N N   . ALA B 1 21  ? 0.197   16.004  39.078  1.00 18.85 ? 35  ALA B N   1 
ATOM   1087 C CA  . ALA B 1 21  ? -1.107  16.533  38.697  1.00 19.70 ? 35  ALA B CA  1 
ATOM   1088 C C   . ALA B 1 21  ? -1.060  17.313  37.389  1.00 18.54 ? 35  ALA B C   1 
ATOM   1089 O O   . ALA B 1 21  ? -2.111  17.542  36.777  1.00 20.22 ? 35  ALA B O   1 
ATOM   1090 C CB  . ALA B 1 21  ? -1.679  17.413  39.817  1.00 20.59 ? 35  ALA B CB  1 
ATOM   1091 N N   . ASP B 1 22  ? 0.126   17.724  36.946  1.00 18.83 ? 36  ASP B N   1 
ATOM   1092 C CA  . ASP B 1 22  ? 0.285   18.502  35.727  1.00 18.90 ? 36  ASP B CA  1 
ATOM   1093 C C   . ASP B 1 22  ? 0.648   17.646  34.524  1.00 16.57 ? 36  ASP B C   1 
ATOM   1094 O O   . ASP B 1 22  ? 1.063   18.192  33.496  1.00 17.64 ? 36  ASP B O   1 
ATOM   1095 C CB  . ASP B 1 22  ? 1.348   19.581  35.929  1.00 21.40 ? 36  ASP B CB  1 
ATOM   1096 C CG  . ASP B 1 22  ? 2.723   18.997  36.204  1.00 23.76 ? 36  ASP B CG  1 
ATOM   1097 O OD1 . ASP B 1 22  ? 2.817   17.780  36.492  1.00 23.11 ? 36  ASP B OD1 1 
ATOM   1098 O OD2 . ASP B 1 22  ? 3.714   19.754  36.121  1.00 26.62 ? 36  ASP B OD2 1 
ATOM   1099 N N   . GLY B 1 23  ? 0.545   16.320  34.635  1.00 14.21 ? 37  GLY B N   1 
ATOM   1100 C CA  . GLY B 1 23  ? 0.900   15.437  33.538  1.00 12.55 ? 37  GLY B CA  1 
ATOM   1101 C C   . GLY B 1 23  ? 2.336   14.944  33.520  1.00 11.83 ? 37  GLY B C   1 
ATOM   1102 O O   . GLY B 1 23  ? 2.714   14.230  32.581  1.00 12.66 ? 37  GLY B O   1 
ATOM   1103 N N   . ALA B 1 24  ? 3.140   15.270  34.531  1.00 12.14 ? 38  ALA B N   1 
ATOM   1104 C CA  . ALA B 1 24  ? 4.544   14.882  34.535  1.00 12.68 ? 38  ALA B CA  1 
ATOM   1105 C C   . ALA B 1 24  ? 4.711   13.444  35.013  1.00 12.24 ? 38  ALA B C   1 
ATOM   1106 O O   . ALA B 1 24  ? 4.001   12.993  35.918  1.00 13.05 ? 38  ALA B O   1 
ATOM   1107 C CB  . ALA B 1 24  ? 5.336   15.813  35.454  1.00 13.75 ? 38  ALA B CB  1 
ATOM   1108 N N   . LEU B 1 25  ? 5.643   12.722  34.390  1.00 11.69 ? 39  LEU B N   1 
ATOM   1109 C CA  . LEU B 1 25  ? 6.173   11.476  34.928  1.00 11.42 ? 39  LEU B CA  1 
ATOM   1110 C C   . LEU B 1 25  ? 7.639   11.696  35.283  1.00 11.60 ? 39  LEU B C   1 
ATOM   1111 O O   . LEU B 1 25  ? 8.414   12.164  34.446  1.00 12.92 ? 39  LEU B O   1 
ATOM   1112 C CB  . LEU B 1 25  ? 6.070   10.328  33.918  1.00 10.72 ? 39  LEU B CB  1 
ATOM   1113 C CG  . LEU B 1 25  ? 4.678   9.884   33.437  1.00 10.97 ? 39  LEU B CG  1 
ATOM   1114 C CD1 . LEU B 1 25  ? 4.796   8.739   32.441  1.00 11.33 ? 39  LEU B CD1 1 
ATOM   1115 C CD2 . LEU B 1 25  ? 3.779   9.470   34.606  1.00 12.98 ? 39  LEU B CD2 1 
ATOM   1116 N N   . THR B 1 26  ? 8.020   11.362  36.518  1.00 11.97 ? 40  THR B N   1 
ATOM   1117 C CA  . THR B 1 26  ? 9.398   11.455  36.974  1.00 11.84 ? 40  THR B CA  1 
ATOM   1118 C C   . THR B 1 26  ? 9.692   10.221  37.809  1.00 11.76 ? 40  THR B C   1 
ATOM   1119 O O   . THR B 1 26  ? 8.808   9.692   38.483  1.00 15.03 ? 40  THR B O   1 
ATOM   1120 C CB  . THR B 1 26  ? 9.628   12.706  37.842  1.00 13.02 ? 40  THR B CB  1 
ATOM   1121 O OG1 . THR B 1 26  ? 8.763   12.669  38.985  1.00 16.28 ? 40  THR B OG1 1 
ATOM   1122 C CG2 . THR B 1 26  ? 9.360   13.982  37.062  1.00 15.16 ? 40  THR B CG2 1 
ATOM   1123 N N   . GLY B 1 27  ? 10.940  9.775   37.783  1.00 11.67 ? 41  GLY B N   1 
ATOM   1124 C CA  . GLY B 1 27  ? 11.315  8.651   38.626  1.00 12.30 ? 41  GLY B CA  1 
ATOM   1125 C C   . GLY B 1 27  ? 12.655  8.066   38.235  1.00 12.16 ? 41  GLY B C   1 
ATOM   1126 O O   . GLY B 1 27  ? 13.520  8.753   37.678  1.00 11.97 ? 41  GLY B O   1 
ATOM   1127 N N   A THR B 1 28  ? 12.800  6.762   38.499  0.65 12.39 ? 42  THR B N   1 
ATOM   1128 N N   B THR B 1 28  ? 12.835  6.794   38.577  0.35 12.84 ? 42  THR B N   1 
ATOM   1129 C CA  A THR B 1 28  ? 14.057  6.034   38.369  0.65 13.57 ? 42  THR B CA  1 
ATOM   1130 C CA  B THR B 1 28  ? 14.056  6.074   38.270  0.35 13.90 ? 42  THR B CA  1 
ATOM   1131 C C   A THR B 1 28  ? 13.765  4.671   37.759  0.65 14.08 ? 42  THR B C   1 
ATOM   1132 C C   B THR B 1 28  ? 13.701  4.728   37.666  0.35 13.90 ? 42  THR B C   1 
ATOM   1133 O O   A THR B 1 28  ? 12.819  3.998   38.180  0.65 15.01 ? 42  THR B O   1 
ATOM   1134 O O   B THR B 1 28  ? 12.671  4.130   37.992  0.35 13.81 ? 42  THR B O   1 
ATOM   1135 C CB  A THR B 1 28  ? 14.683  5.838   39.754  0.65 15.57 ? 42  THR B CB  1 
ATOM   1136 C CB  B THR B 1 28  ? 14.930  5.853   39.509  0.35 14.55 ? 42  THR B CB  1 
ATOM   1137 O OG1 A THR B 1 28  ? 14.836  7.113   40.390  0.65 16.89 ? 42  THR B OG1 1 
ATOM   1138 O OG1 B THR B 1 28  ? 14.165  5.182   40.514  0.35 14.71 ? 42  THR B OG1 1 
ATOM   1139 C CG2 A THR B 1 28  ? 16.040  5.154   39.645  0.65 16.60 ? 42  THR B CG2 1 
ATOM   1140 C CG2 B THR B 1 28  ? 15.441  7.180   40.048  0.35 14.53 ? 42  THR B CG2 1 
ATOM   1141 N N   . TYR B 1 29  ? 14.559  4.275   36.762  1.00 13.85 ? 43  TYR B N   1 
ATOM   1142 C CA  . TYR B 1 29  ? 14.433  2.977   36.118  1.00 14.42 ? 43  TYR B CA  1 
ATOM   1143 C C   . TYR B 1 29  ? 15.658  2.156   36.488  1.00 14.68 ? 43  TYR B C   1 
ATOM   1144 O O   . TYR B 1 29  ? 16.791  2.642   36.386  1.00 14.55 ? 43  TYR B O   1 
ATOM   1145 C CB  . TYR B 1 29  ? 14.364  3.151   34.593  1.00 13.98 ? 43  TYR B CB  1 
ATOM   1146 C CG  . TYR B 1 29  ? 13.788  1.959   33.860  1.00 12.93 ? 43  TYR B CG  1 
ATOM   1147 C CD1 . TYR B 1 29  ? 14.584  0.875   33.503  1.00 13.59 ? 43  TYR B CD1 1 
ATOM   1148 C CD2 . TYR B 1 29  ? 12.442  1.909   33.538  1.00 13.05 ? 43  TYR B CD2 1 
ATOM   1149 C CE1 . TYR B 1 29  ? 14.052  -0.216  32.829  1.00 12.65 ? 43  TYR B CE1 1 
ATOM   1150 C CE2 . TYR B 1 29  ? 11.900  0.826   32.877  1.00 13.84 ? 43  TYR B CE2 1 
ATOM   1151 C CZ  . TYR B 1 29  ? 12.701  -0.238  32.530  1.00 13.33 ? 43  TYR B CZ  1 
ATOM   1152 O OH  . TYR B 1 29  ? 12.156  -1.317  31.877  1.00 16.17 ? 43  TYR B OH  1 
ATOM   1153 N N   . GLU B 1 30  ? 15.439  0.919   36.923  1.00 16.61 ? 44  GLU B N   1 
ATOM   1154 C CA  . GLU B 1 30  ? 16.521  0.018   37.315  1.00 20.04 ? 44  GLU B CA  1 
ATOM   1155 C C   . GLU B 1 30  ? 16.487  -1.182  36.379  1.00 23.35 ? 44  GLU B C   1 
ATOM   1156 O O   . GLU B 1 30  ? 15.544  -1.977  36.415  1.00 21.39 ? 44  GLU B O   1 
ATOM   1157 C CB  . GLU B 1 30  ? 16.363  -0.413  38.771  1.00 23.39 ? 44  GLU B CB  1 
ATOM   1158 C CG  . GLU B 1 30  ? 17.377  -1.438  39.231  0.78 25.38 ? 44  GLU B CG  1 
ATOM   1159 C CD  . GLU B 1 30  ? 17.135  -1.872  40.661  0.49 26.71 ? 44  GLU B CD  1 
ATOM   1160 O OE1 . GLU B 1 30  ? 17.492  -1.108  41.582  0.41 27.20 ? 44  GLU B OE1 1 
ATOM   1161 O OE2 . GLU B 1 30  ? 16.573  -2.970  40.861  0.48 27.12 ? 44  GLU B OE2 1 
ATOM   1162 N N   . SER B 1 31  ? 17.510  -1.309  35.534  1.00 27.85 ? 45  SER B N   1 
ATOM   1163 C CA  . SER B 1 31  ? 17.527  -2.367  34.533  1.00 32.21 ? 45  SER B CA  1 
ATOM   1164 C C   . SER B 1 31  ? 17.831  -3.742  35.114  1.00 35.09 ? 45  SER B C   1 
ATOM   1165 O O   . SER B 1 31  ? 17.651  -4.742  34.410  1.00 35.89 ? 45  SER B O   1 
ATOM   1166 C CB  . SER B 1 31  ? 18.523  -2.027  33.422  1.00 34.70 ? 45  SER B CB  1 
ATOM   1167 O OG  . SER B 1 31  ? 19.763  -1.617  33.968  1.00 37.28 ? 45  SER B OG  1 
ATOM   1168 N N   . ALA B 1 32  ? 18.278  -3.817  36.365  1.00 36.73 ? 46  ALA B N   1 
ATOM   1169 C CA  . ALA B 1 32  ? 18.570  -5.094  37.008  1.00 37.98 ? 46  ALA B CA  1 
ATOM   1170 C C   . ALA B 1 32  ? 18.493  -4.968  38.525  1.00 39.02 ? 46  ALA B C   1 
ATOM   1171 O O   . ALA B 1 32  ? 19.210  -4.167  39.128  1.00 39.81 ? 46  ALA B O   1 
ATOM   1172 C CB  . ALA B 1 32  ? 19.942  -5.603  36.586  1.00 38.25 ? 46  ALA B CB  1 
ATOM   1173 N N   . ASN B 1 35  ? 21.090  -2.647  42.388  1.00 41.59 ? 49  ASN B N   1 
ATOM   1174 C CA  . ASN B 1 35  ? 22.355  -1.965  42.643  1.00 41.44 ? 49  ASN B CA  1 
ATOM   1175 C C   . ASN B 1 35  ? 22.337  -0.554  42.065  1.00 40.42 ? 49  ASN B C   1 
ATOM   1176 O O   . ASN B 1 35  ? 21.680  -0.297  41.054  1.00 40.30 ? 49  ASN B O   1 
ATOM   1177 C CB  . ASN B 1 35  ? 23.531  -2.762  42.068  1.00 42.24 ? 49  ASN B CB  1 
ATOM   1178 C CG  . ASN B 1 35  ? 23.477  -2.880  40.555  1.00 43.07 ? 49  ASN B CG  1 
ATOM   1179 O OD1 . ASN B 1 35  ? 24.315  -2.319  39.849  1.00 43.42 ? 49  ASN B OD1 1 
ATOM   1180 N ND2 . ASN B 1 35  ? 22.495  -3.621  40.051  1.00 43.27 ? 49  ASN B ND2 1 
ATOM   1181 N N   . ALA B 1 36  ? 23.071  0.356   42.712  1.00 39.11 ? 50  ALA B N   1 
ATOM   1182 C CA  . ALA B 1 36  ? 23.055  1.755   42.297  1.00 37.36 ? 50  ALA B CA  1 
ATOM   1183 C C   . ALA B 1 36  ? 23.561  1.932   40.871  1.00 35.28 ? 50  ALA B C   1 
ATOM   1184 O O   . ALA B 1 36  ? 23.078  2.811   40.147  1.00 34.87 ? 50  ALA B O   1 
ATOM   1185 C CB  . ALA B 1 36  ? 23.876  2.604   43.269  1.00 37.25 ? 50  ALA B CB  1 
ATOM   1186 N N   . GLU B 1 37  ? 24.515  1.101   40.444  1.00 32.05 ? 51  GLU B N   1 
ATOM   1187 C CA  . GLU B 1 37  ? 25.103  1.245   39.118  1.00 30.52 ? 51  GLU B CA  1 
ATOM   1188 C C   . GLU B 1 37  ? 24.109  1.011   37.990  1.00 27.00 ? 51  GLU B C   1 
ATOM   1189 O O   . GLU B 1 37  ? 24.406  1.376   36.849  1.00 26.97 ? 51  GLU B O   1 
ATOM   1190 C CB  . GLU B 1 37  ? 26.302  0.307   38.950  1.00 33.50 ? 51  GLU B CB  1 
ATOM   1191 C CG  . GLU B 1 37  ? 27.468  0.595   39.884  1.00 37.12 ? 51  GLU B CG  1 
ATOM   1192 C CD  . GLU B 1 37  ? 27.299  -0.047  41.246  1.00 39.55 ? 51  GLU B CD  1 
ATOM   1193 O OE1 . GLU B 1 37  ? 26.207  -0.591  41.520  1.00 40.39 ? 51  GLU B OE1 1 
ATOM   1194 O OE2 . GLU B 1 37  ? 28.262  -0.013  42.042  1.00 40.77 ? 51  GLU B OE2 1 
ATOM   1195 N N   . SER B 1 38  ? 22.944  0.427   38.269  1.00 26.41 ? 52  SER B N   1 
ATOM   1196 C CA  . SER B 1 38  ? 21.958  0.148   37.234  1.00 26.33 ? 52  SER B CA  1 
ATOM   1197 C C   . SER B 1 38  ? 20.721  1.033   37.326  1.00 21.49 ? 52  SER B C   1 
ATOM   1198 O O   . SER B 1 38  ? 19.713  0.730   36.682  1.00 21.06 ? 52  SER B O   1 
ATOM   1199 C CB  . SER B 1 38  ? 21.562  -1.331  37.246  1.00 30.56 ? 52  SER B CB  1 
ATOM   1200 O OG  . SER B 1 38  ? 20.808  -1.652  38.401  1.00 34.38 ? 52  SER B OG  1 
ATOM   1201 N N   . ARG B 1 39  ? 20.774  2.125   38.085  1.00 19.90 ? 53  ARG B N   1 
ATOM   1202 C CA  . ARG B 1 39  ? 19.635  3.024   38.247  1.00 19.06 ? 53  ARG B CA  1 
ATOM   1203 C C   . ARG B 1 39  ? 19.824  4.266   37.383  1.00 16.15 ? 53  ARG B C   1 
ATOM   1204 O O   . ARG B 1 39  ? 20.903  4.871   37.386  1.00 16.70 ? 53  ARG B O   1 
ATOM   1205 C CB  . ARG B 1 39  ? 19.475  3.437   39.712  1.00 21.63 ? 53  ARG B CB  1 
ATOM   1206 C CG  . ARG B 1 39  ? 18.844  2.371   40.595  1.00 25.20 ? 53  ARG B CG  1 
ATOM   1207 C CD  . ARG B 1 39  ? 18.346  2.963   41.906  1.00 28.67 ? 53  ARG B CD  1 
ATOM   1208 N NE  . ARG B 1 39  ? 19.420  3.121   42.877  1.00 32.33 ? 53  ARG B NE  1 
ATOM   1209 C CZ  . ARG B 1 39  ? 19.717  2.225   43.808  1.00 35.30 ? 53  ARG B CZ  1 
ATOM   1210 N NH1 . ARG B 1 39  ? 19.034  1.097   43.923  1.00 37.15 ? 53  ARG B NH1 1 
ATOM   1211 N NH2 . ARG B 1 39  ? 20.721  2.468   44.646  1.00 35.56 ? 53  ARG B NH2 1 
ATOM   1212 N N   . TYR B 1 40  ? 18.764  4.652   36.664  1.00 13.73 ? 54  TYR B N   1 
ATOM   1213 C CA  . TYR B 1 40  ? 18.821  5.748   35.705  1.00 13.69 ? 54  TYR B CA  1 
ATOM   1214 C C   . TYR B 1 40  ? 17.587  6.626   35.851  1.00 13.37 ? 54  TYR B C   1 
ATOM   1215 O O   . TYR B 1 40  ? 16.504  6.152   36.209  1.00 13.99 ? 54  TYR B O   1 
ATOM   1216 C CB  . TYR B 1 40  ? 18.843  5.220   34.261  1.00 13.52 ? 54  TYR B CB  1 
ATOM   1217 C CG  . TYR B 1 40  ? 20.051  4.344   33.964  1.00 13.66 ? 54  TYR B CG  1 
ATOM   1218 C CD1 . TYR B 1 40  ? 20.055  2.996   34.318  1.00 14.96 ? 54  TYR B CD1 1 
ATOM   1219 C CD2 . TYR B 1 40  ? 21.204  4.864   33.361  1.00 13.38 ? 54  TYR B CD2 1 
ATOM   1220 C CE1 . TYR B 1 40  ? 21.156  2.190   34.081  1.00 15.56 ? 54  TYR B CE1 1 
ATOM   1221 C CE2 . TYR B 1 40  ? 22.320  4.057   33.117  1.00 13.49 ? 54  TYR B CE2 1 
ATOM   1222 C CZ  . TYR B 1 40  ? 22.285  2.718   33.473  1.00 15.13 ? 54  TYR B CZ  1 
ATOM   1223 O OH  . TYR B 1 40  ? 23.373  1.906   33.246  1.00 17.17 ? 54  TYR B OH  1 
ATOM   1224 N N   . VAL B 1 41  ? 17.757  7.917   35.554  1.00 12.73 ? 55  VAL B N   1 
ATOM   1225 C CA  . VAL B 1 41  ? 16.647  8.861   35.591  1.00 13.15 ? 55  VAL B CA  1 
ATOM   1226 C C   . VAL B 1 41  ? 15.664  8.554   34.469  1.00 12.43 ? 55  VAL B C   1 
ATOM   1227 O O   . VAL B 1 41  ? 16.053  8.231   33.334  1.00 13.14 ? 55  VAL B O   1 
ATOM   1228 C CB  . VAL B 1 41  ? 17.194  10.293  35.464  1.00 14.65 ? 55  VAL B CB  1 
ATOM   1229 C CG1 . VAL B 1 41  ? 16.059  11.300  35.310  1.00 15.10 ? 55  VAL B CG1 1 
ATOM   1230 C CG2 . VAL B 1 41  ? 18.077  10.636  36.662  1.00 14.29 ? 55  VAL B CG2 1 
ATOM   1231 N N   . LEU B 1 42  ? 14.370  8.655   34.777  1.00 12.85 ? 56  LEU B N   1 
ATOM   1232 C CA  . LEU B 1 42  ? 13.345  8.613   33.747  1.00 15.44 ? 56  LEU B CA  1 
ATOM   1233 C C   . LEU B 1 42  ? 12.466  9.848   33.844  1.00 13.19 ? 56  LEU B C   1 
ATOM   1234 O O   . LEU B 1 42  ? 12.195  10.355  34.939  1.00 13.66 ? 56  LEU B O   1 
ATOM   1235 C CB  . LEU B 1 42  ? 12.495  7.355   33.837  1.00 18.73 ? 56  LEU B CB  1 
ATOM   1236 C CG  . LEU B 1 42  ? 11.417  7.326   34.914  1.00 18.42 ? 56  LEU B CG  1 
ATOM   1237 C CD1 . LEU B 1 42  ? 10.040  7.840   34.404  1.00 15.86 ? 56  LEU B CD1 1 
ATOM   1238 C CD2 . LEU B 1 42  ? 11.299  5.932   35.474  1.00 21.67 ? 56  LEU B CD2 1 
ATOM   1239 N N   A THR B 1 43  ? 11.953  10.276  32.689  0.64 13.15 ? 57  THR B N   1 
ATOM   1240 N N   B THR B 1 43  ? 12.064  10.366  32.690  0.36 10.92 ? 57  THR B N   1 
ATOM   1241 C CA  A THR B 1 43  ? 11.170  11.501  32.589  0.64 12.82 ? 57  THR B CA  1 
ATOM   1242 C CA  B THR B 1 43  ? 11.078  11.430  32.656  0.36 10.78 ? 57  THR B CA  1 
ATOM   1243 C C   A THR B 1 43  ? 10.195  11.357  31.427  0.64 11.39 ? 57  THR B C   1 
ATOM   1244 C C   B THR B 1 43  ? 10.135  11.181  31.495  0.36 10.68 ? 57  THR B C   1 
ATOM   1245 O O   A THR B 1 43  ? 10.611  10.972  30.330  0.64 11.63 ? 57  THR B O   1 
ATOM   1246 O O   B THR B 1 43  ? 10.497  10.550  30.498  0.36 11.36 ? 57  THR B O   1 
ATOM   1247 C CB  A THR B 1 43  ? 12.134  12.661  32.327  0.64 13.02 ? 57  THR B CB  1 
ATOM   1248 C CB  B THR B 1 43  ? 11.705  12.832  32.556  0.36 12.00 ? 57  THR B CB  1 
ATOM   1249 O OG1 A THR B 1 43  ? 13.086  12.736  33.394  0.64 13.86 ? 57  THR B OG1 1 
ATOM   1250 O OG1 B THR B 1 43  ? 10.680  13.824  32.723  0.36 12.78 ? 57  THR B OG1 1 
ATOM   1251 C CG2 A THR B 1 43  ? 11.423  13.972  32.249  0.64 14.21 ? 57  THR B CG2 1 
ATOM   1252 C CG2 B THR B 1 43  ? 12.373  13.026  31.213  0.36 11.70 ? 57  THR B CG2 1 
ATOM   1253 N N   . GLY B 1 44  ? 8.914   11.661  31.650  1.00 11.09 ? 58  GLY B N   1 
ATOM   1254 C CA  . GLY B 1 44  ? 7.927   11.536  30.597  1.00 10.96 ? 58  GLY B CA  1 
ATOM   1255 C C   . GLY B 1 44  ? 6.669   12.321  30.898  1.00 9.97  ? 58  GLY B C   1 
ATOM   1256 O O   . GLY B 1 44  ? 6.670   13.239  31.723  1.00 10.65 ? 58  GLY B O   1 
ATOM   1257 N N   . ARG B 1 45  ? 5.595   11.960  30.187  1.00 10.11 ? 59  ARG B N   1 
ATOM   1258 C CA  . ARG B 1 45  ? 4.315   12.657  30.253  1.00 10.65 ? 59  ARG B CA  1 
ATOM   1259 C C   . ARG B 1 45  ? 3.175   11.648  30.160  1.00 10.14 ? 59  ARG B C   1 
ATOM   1260 O O   . ARG B 1 45  ? 3.323   10.573  29.571  1.00 11.34 ? 59  ARG B O   1 
ATOM   1261 C CB  . ARG B 1 45  ? 4.170   13.668  29.095  1.00 12.50 ? 59  ARG B CB  1 
ATOM   1262 C CG  . ARG B 1 45  ? 5.253   14.752  29.031  1.00 13.46 ? 59  ARG B CG  1 
ATOM   1263 C CD  . ARG B 1 45  ? 5.070   15.794  30.130  1.00 12.47 ? 59  ARG B CD  1 
ATOM   1264 N NE  . ARG B 1 45  ? 3.803   16.501  29.980  1.00 12.21 ? 59  ARG B NE  1 
ATOM   1265 C CZ  . ARG B 1 45  ? 3.267   17.276  30.911  1.00 12.18 ? 59  ARG B CZ  1 
ATOM   1266 N NH1 . ARG B 1 45  ? 3.862   17.465  32.080  1.00 13.70 ? 59  ARG B NH1 1 
ATOM   1267 N NH2 . ARG B 1 45  ? 2.092   17.850  30.677  1.00 12.68 ? 59  ARG B NH2 1 
ATOM   1268 N N   . TYR B 1 46  ? 2.033   11.989  30.761  1.00 10.80 ? 60  TYR B N   1 
ATOM   1269 C CA  . TYR B 1 46  ? 0.836   11.168  30.639  1.00 11.31 ? 60  TYR B CA  1 
ATOM   1270 C C   . TYR B 1 46  ? -0.390  12.065  30.534  1.00 11.35 ? 60  TYR B C   1 
ATOM   1271 O O   . TYR B 1 46  ? -0.347  13.251  30.873  1.00 12.70 ? 60  TYR B O   1 
ATOM   1272 C CB  . TYR B 1 46  ? 0.692   10.178  31.814  1.00 11.95 ? 60  TYR B CB  1 
ATOM   1273 C CG  . TYR B 1 46  ? 0.215   10.827  33.099  1.00 12.72 ? 60  TYR B CG  1 
ATOM   1274 C CD1 . TYR B 1 46  ? 1.065   11.615  33.866  1.00 12.67 ? 60  TYR B CD1 1 
ATOM   1275 C CD2 . TYR B 1 46  ? -1.095  10.658  33.542  1.00 14.56 ? 60  TYR B CD2 1 
ATOM   1276 C CE1 . TYR B 1 46  ? 0.628   12.213  35.041  1.00 12.94 ? 60  TYR B CE1 1 
ATOM   1277 C CE2 . TYR B 1 46  ? -1.539  11.255  34.702  1.00 14.27 ? 60  TYR B CE2 1 
ATOM   1278 C CZ  . TYR B 1 46  ? -0.679  12.030  35.445  1.00 12.94 ? 60  TYR B CZ  1 
ATOM   1279 O OH  . TYR B 1 46  ? -1.134  12.625  36.597  1.00 16.02 ? 60  TYR B OH  1 
ATOM   1280 N N   . ASP B 1 47  ? -1.480  11.484  30.032  1.00 12.22 ? 61  ASP B N   1 
ATOM   1281 C CA  . ASP B 1 47  ? -2.778  12.160  29.960  1.00 12.90 ? 61  ASP B CA  1 
ATOM   1282 C C   . ASP B 1 47  ? -3.364  12.274  31.364  1.00 13.17 ? 61  ASP B C   1 
ATOM   1283 O O   . ASP B 1 47  ? -3.775  11.271  31.953  1.00 13.01 ? 61  ASP B O   1 
ATOM   1284 C CB  . ASP B 1 47  ? -3.698  11.364  29.035  1.00 13.20 ? 61  ASP B CB  1 
ATOM   1285 C CG  . ASP B 1 47  ? -5.089  11.965  28.903  1.00 13.70 ? 61  ASP B CG  1 
ATOM   1286 O OD1 . ASP B 1 47  ? -5.358  13.062  29.446  1.00 14.53 ? 61  ASP B OD1 1 
ATOM   1287 O OD2 . ASP B 1 47  ? -5.913  11.329  28.213  1.00 13.92 ? 61  ASP B OD2 1 
ATOM   1288 N N   . SER B 1 48  ? -3.365  13.491  31.909  1.00 12.82 ? 62  SER B N   1 
ATOM   1289 C CA  . SER B 1 48  ? -3.831  13.725  33.271  1.00 15.04 ? 62  SER B CA  1 
ATOM   1290 C C   . SER B 1 48  ? -5.349  13.817  33.392  1.00 14.83 ? 62  SER B C   1 
ATOM   1291 O O   . SER B 1 48  ? -5.851  13.962  34.507  1.00 15.77 ? 62  SER B O   1 
ATOM   1292 C CB  . SER B 1 48  ? -3.171  14.979  33.855  1.00 16.51 ? 62  SER B CB  1 
ATOM   1293 O OG  . SER B 1 48  ? -3.341  16.091  32.994  1.00 17.69 ? 62  SER B OG  1 
ATOM   1294 N N   . ALA B 1 49  ? -6.092  13.745  32.289  1.00 14.32 ? 63  ALA B N   1 
ATOM   1295 C CA  . ALA B 1 49  ? -7.554  13.731  32.317  1.00 16.44 ? 63  ALA B CA  1 
ATOM   1296 C C   . ALA B 1 49  ? -8.054  12.683  31.331  1.00 15.62 ? 63  ALA B C   1 
ATOM   1297 O O   . ALA B 1 49  ? -8.680  13.009  30.317  1.00 15.77 ? 63  ALA B O   1 
ATOM   1298 C CB  . ALA B 1 49  ? -8.107  15.116  31.978  1.00 17.54 ? 63  ALA B CB  1 
ATOM   1299 N N   . PRO B 1 50  ? -7.782  11.406  31.599  1.00 15.48 ? 64  PRO B N   1 
ATOM   1300 C CA  . PRO B 1 50  ? -8.180  10.355  30.652  1.00 16.03 ? 64  PRO B CA  1 
ATOM   1301 C C   . PRO B 1 50  ? -9.691  10.169  30.647  1.00 17.25 ? 64  PRO B C   1 
ATOM   1302 O O   . PRO B 1 50  ? -10.418 10.654  31.517  1.00 17.89 ? 64  PRO B O   1 
ATOM   1303 C CB  . PRO B 1 50  ? -7.481  9.107   31.201  1.00 17.02 ? 64  PRO B CB  1 
ATOM   1304 C CG  . PRO B 1 50  ? -7.359  9.367   32.672  1.00 16.70 ? 64  PRO B CG  1 
ATOM   1305 C CD  . PRO B 1 50  ? -7.180  10.855  32.827  1.00 16.22 ? 64  PRO B CD  1 
ATOM   1306 N N   . ALA B 1 51  ? -10.162 9.447   29.633  1.00 16.92 ? 65  ALA B N   1 
ATOM   1307 C CA  . ALA B 1 51  ? -11.574 9.107   29.559  1.00 18.38 ? 65  ALA B CA  1 
ATOM   1308 C C   . ALA B 1 51  ? -11.922 8.109   30.657  1.00 19.64 ? 65  ALA B C   1 
ATOM   1309 O O   . ALA B 1 51  ? -11.065 7.373   31.154  1.00 20.72 ? 65  ALA B O   1 
ATOM   1310 C CB  . ALA B 1 51  ? -11.894 8.497   28.197  1.00 19.57 ? 65  ALA B CB  1 
ATOM   1311 N N   . THR B 1 52  ? -13.193 8.112   31.058  1.00 20.56 ? 66  THR B N   1 
ATOM   1312 C CA  . THR B 1 52  ? -13.701 7.099   31.975  1.00 20.80 ? 66  THR B CA  1 
ATOM   1313 C C   . THR B 1 52  ? -14.732 6.253   31.237  1.00 20.00 ? 66  THR B C   1 
ATOM   1314 O O   . THR B 1 52  ? -15.903 6.191   31.621  1.00 21.09 ? 66  THR B O   1 
ATOM   1315 C CB  . THR B 1 52  ? -14.264 7.749   33.246  1.00 23.72 ? 66  THR B CB  1 
ATOM   1316 O OG1 . THR B 1 52  ? -13.273 8.623   33.805  1.00 24.97 ? 66  THR B OG1 1 
ATOM   1317 C CG2 . THR B 1 52  ? -14.619 6.696   34.300  1.00 26.35 ? 66  THR B CG2 1 
ATOM   1318 N N   . ASP B 1 53  ? -14.294 5.606   30.157  1.00 19.21 ? 67  ASP B N   1 
ATOM   1319 C CA  . ASP B 1 53  ? -15.156 4.817   29.287  1.00 19.00 ? 67  ASP B CA  1 
ATOM   1320 C C   . ASP B 1 53  ? -14.596 3.422   29.041  1.00 19.73 ? 67  ASP B C   1 
ATOM   1321 O O   . ASP B 1 53  ? -15.010 2.755   28.090  1.00 21.79 ? 67  ASP B O   1 
ATOM   1322 C CB  . ASP B 1 53  ? -15.418 5.538   27.959  1.00 18.61 ? 67  ASP B CB  1 
ATOM   1323 C CG  . ASP B 1 53  ? -14.148 5.734   27.131  1.00 17.04 ? 67  ASP B CG  1 
ATOM   1324 O OD1 . ASP B 1 53  ? -13.055 5.392   27.625  1.00 17.08 ? 67  ASP B OD1 1 
ATOM   1325 O OD2 . ASP B 1 53  ? -14.235 6.243   25.994  1.00 18.45 ? 67  ASP B OD2 1 
ATOM   1326 N N   . GLY B 1 54  ? -13.635 2.982   29.855  1.00 20.09 ? 68  GLY B N   1 
ATOM   1327 C CA  . GLY B 1 54  ? -12.960 1.720   29.648  1.00 20.07 ? 68  GLY B CA  1 
ATOM   1328 C C   . GLY B 1 54  ? -11.649 1.822   28.897  1.00 19.37 ? 68  GLY B C   1 
ATOM   1329 O O   . GLY B 1 54  ? -10.951 0.809   28.762  1.00 21.42 ? 68  GLY B O   1 
ATOM   1330 N N   . SER B 1 55  ? -11.300 3.008   28.407  1.00 17.73 ? 69  SER B N   1 
ATOM   1331 C CA  . SER B 1 55  ? -10.046 3.205   27.696  1.00 15.80 ? 69  SER B CA  1 
ATOM   1332 C C   . SER B 1 55  ? -8.889  3.346   28.676  1.00 14.95 ? 69  SER B C   1 
ATOM   1333 O O   . SER B 1 55  ? -9.052  3.823   29.801  1.00 15.81 ? 69  SER B O   1 
ATOM   1334 C CB  . SER B 1 55  ? -10.107 4.491   26.874  1.00 17.23 ? 69  SER B CB  1 
ATOM   1335 O OG  . SER B 1 55  ? -11.159 4.447   25.937  1.00 21.56 ? 69  SER B OG  1 
ATOM   1336 N N   . GLY B 1 56  ? -7.701  2.953   28.219  1.00 13.70 ? 70  GLY B N   1 
ATOM   1337 C CA  . GLY B 1 56  ? -6.494  3.167   28.989  1.00 13.04 ? 70  GLY B CA  1 
ATOM   1338 C C   . GLY B 1 56  ? -6.069  4.623   29.008  1.00 12.21 ? 70  GLY B C   1 
ATOM   1339 O O   . GLY B 1 56  ? -6.598  5.481   28.295  1.00 13.56 ? 70  GLY B O   1 
ATOM   1340 N N   . THR B 1 57  ? -5.062  4.897   29.839  1.00 12.64 ? 71  THR B N   1 
ATOM   1341 C CA  . THR B 1 57  ? -4.488  6.229   29.970  1.00 12.55 ? 71  THR B CA  1 
ATOM   1342 C C   . THR B 1 57  ? -3.177  6.279   29.190  1.00 10.69 ? 71  THR B C   1 
ATOM   1343 O O   . THR B 1 57  ? -2.212  5.584   29.533  1.00 11.93 ? 71  THR B O   1 
ATOM   1344 C CB  . THR B 1 57  ? -4.240  6.557   31.442  1.00 12.83 ? 71  THR B CB  1 
ATOM   1345 O OG1 . THR B 1 57  ? -5.485  6.512   32.157  1.00 13.41 ? 71  THR B OG1 1 
ATOM   1346 C CG2 . THR B 1 57  ? -3.625  7.940   31.585  1.00 13.49 ? 71  THR B CG2 1 
ATOM   1347 N N   . ALA B 1 58  ? -3.135  7.118   28.159  1.00 9.84  ? 72  ALA B N   1 
ATOM   1348 C CA  . ALA B 1 58  ? -1.947  7.205   27.314  1.00 10.13 ? 72  ALA B CA  1 
ATOM   1349 C C   . ALA B 1 58  ? -0.777  7.850   28.054  1.00 10.55 ? 72  ALA B C   1 
ATOM   1350 O O   . ALA B 1 58  ? -0.958  8.784   28.837  1.00 11.67 ? 72  ALA B O   1 
ATOM   1351 C CB  . ALA B 1 58  ? -2.282  8.015   26.067  1.00 11.41 ? 72  ALA B CB  1 
ATOM   1352 N N   . LEU B 1 59  ? 0.440   7.368   27.779  1.00 10.93 ? 73  LEU B N   1 
ATOM   1353 C CA  . LEU B 1 59  ? 1.639   7.858   28.459  1.00 10.61 ? 73  LEU B CA  1 
ATOM   1354 C C   . LEU B 1 59  ? 2.877   7.503   27.649  1.00 10.23 ? 73  LEU B C   1 
ATOM   1355 O O   . LEU B 1 59  ? 2.832   6.676   26.739  1.00 11.84 ? 73  LEU B O   1 
ATOM   1356 C CB  . LEU B 1 59  ? 1.747   7.274   29.880  1.00 13.52 ? 73  LEU B CB  1 
ATOM   1357 C CG  . LEU B 1 59  ? 1.640   5.751   30.080  1.00 17.51 ? 73  LEU B CG  1 
ATOM   1358 C CD1 . LEU B 1 59  ? 2.809   4.945   29.521  1.00 19.90 ? 73  LEU B CD1 1 
ATOM   1359 C CD2 . LEU B 1 59  ? 1.470   5.448   31.559  1.00 19.02 ? 73  LEU B CD2 1 
ATOM   1360 N N   . GLY B 1 60  ? 3.999   8.092   28.047  1.00 9.79  ? 74  GLY B N   1 
ATOM   1361 C CA  . GLY B 1 60  ? 5.293   7.736   27.494  1.00 9.53  ? 74  GLY B CA  1 
ATOM   1362 C C   . GLY B 1 60  ? 6.391   8.272   28.386  1.00 8.59  ? 74  GLY B C   1 
ATOM   1363 O O   . GLY B 1 60  ? 6.190   9.239   29.127  1.00 10.00 ? 74  GLY B O   1 
ATOM   1364 N N   . TRP B 1 61  ? 7.575   7.662   28.284  1.00 9.31  ? 75  TRP B N   1 
ATOM   1365 C CA  . TRP B 1 61  ? 8.731   8.153   29.028  1.00 9.50  ? 75  TRP B CA  1 
ATOM   1366 C C   . TRP B 1 61  ? 10.026  7.761   28.324  1.00 9.67  ? 75  TRP B C   1 
ATOM   1367 O O   . TRP B 1 61  ? 10.048  6.888   27.451  1.00 9.90  ? 75  TRP B O   1 
ATOM   1368 C CB  . TRP B 1 61  ? 8.700   7.707   30.503  1.00 11.04 ? 75  TRP B CB  1 
ATOM   1369 C CG  . TRP B 1 61  ? 8.963   6.254   30.722  1.00 10.39 ? 75  TRP B CG  1 
ATOM   1370 C CD1 . TRP B 1 61  ? 10.184  5.675   30.932  1.00 11.74 ? 75  TRP B CD1 1 
ATOM   1371 C CD2 . TRP B 1 61  ? 8.001   5.194   30.784  1.00 10.13 ? 75  TRP B CD2 1 
ATOM   1372 N NE1 . TRP B 1 61  ? 10.040  4.321   31.111  1.00 12.36 ? 75  TRP B NE1 1 
ATOM   1373 C CE2 . TRP B 1 61  ? 8.710   4.002   31.025  1.00 10.96 ? 75  TRP B CE2 1 
ATOM   1374 C CE3 . TRP B 1 61  ? 6.609   5.136   30.657  1.00 10.26 ? 75  TRP B CE3 1 
ATOM   1375 C CZ2 . TRP B 1 61  ? 8.087   2.771   31.131  1.00 10.72 ? 75  TRP B CZ2 1 
ATOM   1376 C CZ3 . TRP B 1 61  ? 5.993   3.913   30.772  1.00 12.50 ? 75  TRP B CZ3 1 
ATOM   1377 C CH2 . TRP B 1 61  ? 6.726   2.745   31.003  1.00 11.15 ? 75  TRP B CH2 1 
ATOM   1378 N N   . THR B 1 62  ? 11.109  8.426   28.730  1.00 9.77  ? 76  THR B N   1 
ATOM   1379 C CA  . THR B 1 62  ? 12.448  8.222   28.189  1.00 9.65  ? 76  THR B CA  1 
ATOM   1380 C C   . THR B 1 62  ? 13.431  7.922   29.318  1.00 9.76  ? 76  THR B C   1 
ATOM   1381 O O   . THR B 1 62  ? 13.349  8.512   30.404  1.00 10.60 ? 76  THR B O   1 
ATOM   1382 C CB  . THR B 1 62  ? 12.940  9.487   27.438  1.00 10.11 ? 76  THR B CB  1 
ATOM   1383 O OG1 . THR B 1 62  ? 11.980  9.849   26.434  1.00 11.04 ? 76  THR B OG1 1 
ATOM   1384 C CG2 . THR B 1 62  ? 14.304  9.260   26.771  1.00 11.12 ? 76  THR B CG2 1 
ATOM   1385 N N   . VAL B 1 63  ? 14.373  7.018   29.045  1.00 10.14 ? 77  VAL B N   1 
ATOM   1386 C CA  . VAL B 1 63  ? 15.585  6.825   29.843  1.00 11.31 ? 77  VAL B CA  1 
ATOM   1387 C C   . VAL B 1 63  ? 16.775  6.958   28.902  1.00 12.41 ? 77  VAL B C   1 
ATOM   1388 O O   . VAL B 1 63  ? 16.875  6.215   27.917  1.00 12.10 ? 77  VAL B O   1 
ATOM   1389 C CB  . VAL B 1 63  ? 15.616  5.444   30.521  1.00 11.88 ? 77  VAL B CB  1 
ATOM   1390 C CG1 . VAL B 1 63  ? 16.995  5.190   31.169  1.00 13.32 ? 77  VAL B CG1 1 
ATOM   1391 C CG2 . VAL B 1 63  ? 14.488  5.314   31.551  1.00 12.59 ? 77  VAL B CG2 1 
ATOM   1392 N N   . ALA B 1 64  ? 17.673  7.887   29.202  1.00 11.83 ? 78  ALA B N   1 
ATOM   1393 C CA  . ALA B 1 64  ? 18.980  7.903   28.564  1.00 12.54 ? 78  ALA B CA  1 
ATOM   1394 C C   . ALA B 1 64  ? 19.923  7.087   29.440  1.00 12.31 ? 78  ALA B C   1 
ATOM   1395 O O   . ALA B 1 64  ? 19.971  7.290   30.656  1.00 13.19 ? 78  ALA B O   1 
ATOM   1396 C CB  . ALA B 1 64  ? 19.485  9.337   28.405  1.00 13.11 ? 78  ALA B CB  1 
ATOM   1397 N N   . TRP B 1 65  ? 20.667  6.165   28.826  1.00 11.60 ? 79  TRP B N   1 
ATOM   1398 C CA  . TRP B 1 65  ? 21.390  5.133   29.577  1.00 11.98 ? 79  TRP B CA  1 
ATOM   1399 C C   . TRP B 1 65  ? 22.773  5.606   30.033  1.00 13.18 ? 79  TRP B C   1 
ATOM   1400 O O   . TRP B 1 65  ? 23.812  4.986   29.778  1.00 13.42 ? 79  TRP B O   1 
ATOM   1401 C CB  . TRP B 1 65  ? 21.454  3.839   28.770  1.00 12.52 ? 79  TRP B CB  1 
ATOM   1402 C CG  . TRP B 1 65  ? 20.096  3.271   28.490  1.00 11.95 ? 79  TRP B CG  1 
ATOM   1403 C CD1 . TRP B 1 65  ? 19.444  3.261   27.295  1.00 12.42 ? 79  TRP B CD1 1 
ATOM   1404 C CD2 . TRP B 1 65  ? 19.226  2.636   29.435  1.00 11.82 ? 79  TRP B CD2 1 
ATOM   1405 N NE1 . TRP B 1 65  ? 18.208  2.669   27.439  1.00 11.43 ? 79  TRP B NE1 1 
ATOM   1406 C CE2 . TRP B 1 65  ? 18.057  2.267   28.740  1.00 11.95 ? 79  TRP B CE2 1 
ATOM   1407 C CE3 . TRP B 1 65  ? 19.325  2.338   30.797  1.00 12.90 ? 79  TRP B CE3 1 
ATOM   1408 C CZ2 . TRP B 1 65  ? 16.985  1.624   29.362  1.00 13.01 ? 79  TRP B CZ2 1 
ATOM   1409 C CZ3 . TRP B 1 65  ? 18.258  1.702   31.415  1.00 13.30 ? 79  TRP B CZ3 1 
ATOM   1410 C CH2 . TRP B 1 65  ? 17.108  1.348   30.698  1.00 13.30 ? 79  TRP B CH2 1 
ATOM   1411 N N   . LYS B 1 66  ? 22.775  6.758   30.697  1.00 13.45 ? 80  LYS B N   1 
ATOM   1412 C CA  . LYS B 1 66  ? 23.955  7.305   31.350  1.00 13.99 ? 80  LYS B CA  1 
ATOM   1413 C C   . LYS B 1 66  ? 23.607  7.574   32.805  1.00 13.76 ? 80  LYS B C   1 
ATOM   1414 O O   . LYS B 1 66  ? 22.547  8.143   33.095  1.00 14.31 ? 80  LYS B O   1 
ATOM   1415 C CB  . LYS B 1 66  ? 24.367  8.632   30.711  1.00 15.44 ? 80  LYS B CB  1 
ATOM   1416 C CG  . LYS B 1 66  ? 25.539  9.294   31.449  1.00 17.41 ? 80  LYS B CG  1 
ATOM   1417 C CD  . LYS B 1 66  ? 25.811  10.713  30.973  1.00 20.50 ? 80  LYS B CD  1 
ATOM   1418 C CE  . LYS B 1 66  ? 27.016  11.317  31.706  1.00 24.06 ? 80  LYS B CE  1 
ATOM   1419 N NZ  . LYS B 1 66  ? 26.802  11.404  33.181  1.00 24.76 ? 80  LYS B NZ  1 
ATOM   1420 N N   . ASN B 1 67  ? 24.481  7.149   33.710  1.00 14.78 ? 81  ASN B N   1 
ATOM   1421 C CA  . ASN B 1 67  ? 24.413  7.540   35.117  1.00 15.63 ? 81  ASN B CA  1 
ATOM   1422 C C   . ASN B 1 67  ? 25.832  7.876   35.567  1.00 16.87 ? 81  ASN B C   1 
ATOM   1423 O O   . ASN B 1 67  ? 26.731  8.096   34.747  1.00 19.18 ? 81  ASN B O   1 
ATOM   1424 C CB  . ASN B 1 67  ? 23.656  6.506   35.974  1.00 15.62 ? 81  ASN B CB  1 
ATOM   1425 C CG  . ASN B 1 67  ? 24.314  5.140   35.984  1.00 16.20 ? 81  ASN B CG  1 
ATOM   1426 O OD1 . ASN B 1 67  ? 25.499  5.001   35.684  1.00 17.70 ? 81  ASN B OD1 1 
ATOM   1427 N ND2 . ASN B 1 67  ? 23.548  4.121   36.339  1.00 16.93 ? 81  ASN B ND2 1 
ATOM   1428 N N   . ASN B 1 68  ? 26.056  7.916   36.882  1.00 18.88 ? 82  ASN B N   1 
ATOM   1429 C CA  . ASN B 1 68  ? 27.378  8.252   37.395  1.00 21.24 ? 82  ASN B CA  1 
ATOM   1430 C C   . ASN B 1 68  ? 28.386  7.125   37.223  1.00 22.84 ? 82  ASN B C   1 
ATOM   1431 O O   . ASN B 1 68  ? 29.580  7.351   37.449  1.00 23.92 ? 82  ASN B O   1 
ATOM   1432 C CB  . ASN B 1 68  ? 27.300  8.664   38.870  1.00 24.03 ? 82  ASN B CB  1 
ATOM   1433 C CG  . ASN B 1 68  ? 26.610  10.000  39.067  1.00 28.95 ? 82  ASN B CG  1 
ATOM   1434 O OD1 . ASN B 1 68  ? 26.645  10.865  38.191  1.00 32.13 ? 82  ASN B OD1 1 
ATOM   1435 N ND2 . ASN B 1 68  ? 25.978  10.174  40.219  1.00 30.79 ? 82  ASN B ND2 1 
ATOM   1436 N N   . TYR B 1 69  ? 27.948  5.932   36.828  1.00 22.22 ? 83  TYR B N   1 
ATOM   1437 C CA  . TYR B 1 69  ? 28.818  4.765   36.754  1.00 23.03 ? 83  TYR B CA  1 
ATOM   1438 C C   . TYR B 1 69  ? 29.031  4.237   35.345  1.00 22.04 ? 83  TYR B C   1 
ATOM   1439 O O   . TYR B 1 69  ? 30.078  3.642   35.075  1.00 22.97 ? 83  TYR B O   1 
ATOM   1440 C CB  . TYR B 1 69  ? 28.247  3.631   37.614  1.00 24.86 ? 83  TYR B CB  1 
ATOM   1441 C CG  . TYR B 1 69  ? 27.884  4.058   39.020  1.00 25.99 ? 83  TYR B CG  1 
ATOM   1442 C CD1 . TYR B 1 69  ? 28.836  4.077   40.031  1.00 27.60 ? 83  TYR B CD1 1 
ATOM   1443 C CD2 . TYR B 1 69  ? 26.586  4.444   39.334  1.00 26.64 ? 83  TYR B CD2 1 
ATOM   1444 C CE1 . TYR B 1 69  ? 28.505  4.467   41.317  1.00 28.27 ? 83  TYR B CE1 1 
ATOM   1445 C CE2 . TYR B 1 69  ? 26.245  4.833   40.620  1.00 27.38 ? 83  TYR B CE2 1 
ATOM   1446 C CZ  . TYR B 1 69  ? 27.210  4.845   41.606  1.00 28.39 ? 83  TYR B CZ  1 
ATOM   1447 O OH  . TYR B 1 69  ? 26.880  5.232   42.887  1.00 29.79 ? 83  TYR B OH  1 
ATOM   1448 N N   . ARG B 1 70  ? 28.072  4.447   34.445  1.00 19.59 ? 84  ARG B N   1 
ATOM   1449 C CA  . ARG B 1 70  ? 28.063  3.810   33.136  1.00 19.89 ? 84  ARG B CA  1 
ATOM   1450 C C   . ARG B 1 70  ? 27.447  4.759   32.120  1.00 18.03 ? 84  ARG B C   1 
ATOM   1451 O O   . ARG B 1 70  ? 26.710  5.685   32.468  1.00 17.88 ? 84  ARG B O   1 
ATOM   1452 C CB  . ARG B 1 70  ? 27.203  2.539   33.134  1.00 24.46 ? 84  ARG B CB  1 
ATOM   1453 C CG  . ARG B 1 70  ? 27.626  1.452   34.100  1.00 28.54 ? 84  ARG B CG  1 
ATOM   1454 C CD  . ARG B 1 70  ? 26.563  0.370   34.160  1.00 32.18 ? 84  ARG B CD  1 
ATOM   1455 N NE  . ARG B 1 70  ? 26.897  -0.673  35.121  1.00 35.72 ? 84  ARG B NE  1 
ATOM   1456 C CZ  . ARG B 1 70  ? 26.015  -1.502  35.661  1.00 38.07 ? 84  ARG B CZ  1 
ATOM   1457 N NH1 . ARG B 1 70  ? 24.726  -1.428  35.368  1.00 39.39 ? 84  ARG B NH1 1 
ATOM   1458 N NH2 . ARG B 1 70  ? 26.434  -2.424  36.523  1.00 39.45 ? 84  ARG B NH2 1 
ATOM   1459 N N   . ASN B 1 71  ? 27.732  4.493   30.848  1.00 15.89 ? 85  ASN B N   1 
ATOM   1460 C CA  . ASN B 1 71  ? 27.090  5.233   29.760  1.00 14.81 ? 85  ASN B CA  1 
ATOM   1461 C C   . ASN B 1 71  ? 27.106  4.360   28.513  1.00 15.23 ? 85  ASN B C   1 
ATOM   1462 O O   . ASN B 1 71  ? 28.176  4.106   27.947  1.00 15.68 ? 85  ASN B O   1 
ATOM   1463 C CB  . ASN B 1 71  ? 27.806  6.556   29.509  1.00 14.89 ? 85  ASN B CB  1 
ATOM   1464 C CG  . ASN B 1 71  ? 27.043  7.466   28.565  1.00 14.53 ? 85  ASN B CG  1 
ATOM   1465 O OD1 . ASN B 1 71  ? 26.059  7.056   27.949  1.00 15.75 ? 85  ASN B OD1 1 
ATOM   1466 N ND2 . ASN B 1 71  ? 27.487  8.712   28.450  1.00 15.48 ? 85  ASN B ND2 1 
ATOM   1467 N N   . ALA B 1 72  ? 25.926  3.951   28.061  1.00 14.97 ? 86  ALA B N   1 
ATOM   1468 C CA  . ALA B 1 72  ? 25.778  3.129   26.870  1.00 14.58 ? 86  ALA B CA  1 
ATOM   1469 C C   . ALA B 1 72  ? 25.599  3.949   25.601  1.00 15.00 ? 86  ALA B C   1 
ATOM   1470 O O   . ALA B 1 72  ? 25.464  3.361   24.520  1.00 15.90 ? 86  ALA B O   1 
ATOM   1471 C CB  . ALA B 1 72  ? 24.598  2.167   27.030  1.00 15.75 ? 86  ALA B CB  1 
ATOM   1472 N N   . HIS B 1 73  ? 25.611  5.280   25.698  1.00 14.32 ? 87  HIS B N   1 
ATOM   1473 C CA  . HIS B 1 73  ? 25.425  6.155   24.532  1.00 13.26 ? 87  HIS B CA  1 
ATOM   1474 C C   . HIS B 1 73  ? 24.168  5.766   23.759  1.00 13.75 ? 87  HIS B C   1 
ATOM   1475 O O   . HIS B 1 73  ? 24.193  5.508   22.554  1.00 14.73 ? 87  HIS B O   1 
ATOM   1476 C CB  . HIS B 1 73  ? 26.670  6.183   23.624  1.00 13.69 ? 87  HIS B CB  1 
ATOM   1477 C CG  . HIS B 1 73  ? 27.928  6.592   24.332  1.00 14.04 ? 87  HIS B CG  1 
ATOM   1478 N ND1 . HIS B 1 73  ? 28.008  7.733   25.102  1.00 14.64 ? 87  HIS B ND1 1 
ATOM   1479 C CD2 . HIS B 1 73  ? 29.159  6.024   24.371  1.00 14.47 ? 87  HIS B CD2 1 
ATOM   1480 C CE1 . HIS B 1 73  ? 29.226  7.835   25.609  1.00 14.55 ? 87  HIS B CE1 1 
ATOM   1481 N NE2 . HIS B 1 73  ? 29.945  6.814   25.174  1.00 15.39 ? 87  HIS B NE2 1 
ATOM   1482 N N   . SER B 1 74  ? 23.054  5.703   24.487  1.00 12.33 ? 88  SER B N   1 
ATOM   1483 C CA  . SER B 1 74  ? 21.789  5.234   23.934  1.00 12.80 ? 88  SER B CA  1 
ATOM   1484 C C   . SER B 1 74  ? 20.653  5.698   24.830  1.00 12.43 ? 88  SER B C   1 
ATOM   1485 O O   . SER B 1 74  ? 20.860  6.112   25.978  1.00 12.12 ? 88  SER B O   1 
ATOM   1486 C CB  . SER B 1 74  ? 21.762  3.710   23.799  1.00 13.67 ? 88  SER B CB  1 
ATOM   1487 O OG  . SER B 1 74  ? 21.831  3.084   25.062  1.00 15.41 ? 88  SER B OG  1 
ATOM   1488 N N   . ALA B 1 75  ? 19.443  5.625   24.280  1.00 11.77 ? 89  ALA B N   1 
ATOM   1489 C CA  . ALA B 1 75  ? 18.243  6.029   25.005  1.00 11.07 ? 89  ALA B CA  1 
ATOM   1490 C C   . ALA B 1 75  ? 17.044  5.217   24.537  1.00 10.79 ? 89  ALA B C   1 
ATOM   1491 O O   . ALA B 1 75  ? 16.918  4.918   23.348  1.00 11.96 ? 89  ALA B O   1 
ATOM   1492 C CB  . ALA B 1 75  ? 17.981  7.521   24.807  1.00 12.43 ? 89  ALA B CB  1 
ATOM   1493 N N   . THR B 1 76  ? 16.174  4.858   25.479  1.00 10.00 ? 90  THR B N   1 
ATOM   1494 C CA  . THR B 1 76  ? 14.932  4.152   25.185  1.00 9.54  ? 90  THR B CA  1 
ATOM   1495 C C   . THR B 1 76  ? 13.727  5.032   25.490  1.00 9.59  ? 90  THR B C   1 
ATOM   1496 O O   . THR B 1 76  ? 13.686  5.715   26.519  1.00 10.64 ? 90  THR B O   1 
ATOM   1497 C CB  . THR B 1 76  ? 14.835  2.877   26.038  1.00 10.50 ? 90  THR B CB  1 
ATOM   1498 O OG1 . THR B 1 76  ? 15.979  2.045   25.766  1.00 11.40 ? 90  THR B OG1 1 
ATOM   1499 C CG2 . THR B 1 76  ? 13.521  2.123   25.773  1.00 11.43 ? 90  THR B CG2 1 
ATOM   1500 N N   . THR B 1 77  ? 12.747  5.017   24.590  1.00 10.00 ? 91  THR B N   1 
ATOM   1501 C CA  . THR B 1 77  ? 11.430  5.578   24.849  1.00 10.15 ? 91  THR B CA  1 
ATOM   1502 C C   . THR B 1 77  ? 10.401  4.459   24.881  1.00 9.93  ? 91  THR B C   1 
ATOM   1503 O O   . THR B 1 77  ? 10.403  3.581   24.013  1.00 12.26 ? 91  THR B O   1 
ATOM   1504 C CB  . THR B 1 77  ? 11.025  6.597   23.770  1.00 11.02 ? 91  THR B CB  1 
ATOM   1505 O OG1 . THR B 1 77  ? 10.936  5.968   22.474  1.00 12.49 ? 91  THR B OG1 1 
ATOM   1506 C CG2 . THR B 1 77  ? 12.016  7.750   23.712  1.00 13.13 ? 91  THR B CG2 1 
ATOM   1507 N N   . TRP B 1 78  ? 9.514   4.508   25.878  1.00 9.64  ? 92  TRP B N   1 
ATOM   1508 C CA  . TRP B 1 78  ? 8.368   3.615   25.983  1.00 10.15 ? 92  TRP B CA  1 
ATOM   1509 C C   . TRP B 1 78  ? 7.110   4.427   25.711  1.00 9.59  ? 92  TRP B C   1 
ATOM   1510 O O   . TRP B 1 78  ? 6.938   5.519   26.273  1.00 9.46  ? 92  TRP B O   1 
ATOM   1511 C CB  . TRP B 1 78  ? 8.241   3.015   27.387  1.00 11.04 ? 92  TRP B CB  1 
ATOM   1512 C CG  . TRP B 1 78  ? 9.301   2.011   27.826  1.00 10.27 ? 92  TRP B CG  1 
ATOM   1513 C CD1 . TRP B 1 78  ? 9.158   0.648   27.915  1.00 11.06 ? 92  TRP B CD1 1 
ATOM   1514 C CD2 . TRP B 1 78  ? 10.619  2.303   28.320  1.00 10.03 ? 92  TRP B CD2 1 
ATOM   1515 N NE1 . TRP B 1 78  ? 10.306  0.083   28.436  1.00 11.18 ? 92  TRP B NE1 1 
ATOM   1516 C CE2 . TRP B 1 78  ? 11.212  1.077   28.689  1.00 10.16 ? 92  TRP B CE2 1 
ATOM   1517 C CE3 . TRP B 1 78  ? 11.343  3.481   28.486  1.00 10.26 ? 92  TRP B CE3 1 
ATOM   1518 C CZ2 . TRP B 1 78  ? 12.504  1.000   29.219  1.00 11.49 ? 92  TRP B CZ2 1 
ATOM   1519 C CZ3 . TRP B 1 78  ? 12.627  3.405   29.022  1.00 10.77 ? 92  TRP B CZ3 1 
ATOM   1520 C CH2 . TRP B 1 78  ? 13.189  2.172   29.380  1.00 12.55 ? 92  TRP B CH2 1 
ATOM   1521 N N   . SER B 1 79  ? 6.248   3.900   24.844  1.00 9.29  ? 93  SER B N   1 
ATOM   1522 C CA  . SER B 1 79  ? 4.976   4.513   24.498  1.00 9.87  ? 93  SER B CA  1 
ATOM   1523 C C   . SER B 1 79  ? 3.881   3.496   24.775  1.00 9.46  ? 93  SER B C   1 
ATOM   1524 O O   . SER B 1 79  ? 3.990   2.338   24.370  1.00 10.73 ? 93  SER B O   1 
ATOM   1525 C CB  . SER B 1 79  ? 5.001   4.869   23.009  1.00 10.47 ? 93  SER B CB  1 
ATOM   1526 O OG  . SER B 1 79  ? 3.766   5.410   22.594  1.00 12.23 ? 93  SER B OG  1 
ATOM   1527 N N   . GLY B 1 80  ? 2.845   3.897   25.498  1.00 9.68  ? 94  GLY B N   1 
ATOM   1528 C CA  . GLY B 1 80  ? 1.860   2.909   25.865  1.00 10.58 ? 94  GLY B CA  1 
ATOM   1529 C C   . GLY B 1 80  ? 0.658   3.475   26.580  1.00 10.03 ? 94  GLY B C   1 
ATOM   1530 O O   . GLY B 1 80  ? 0.345   4.663   26.475  1.00 11.55 ? 94  GLY B O   1 
ATOM   1531 N N   . GLN B 1 81  ? -0.008  2.599   27.325  1.00 11.07 ? 95  GLN B N   1 
ATOM   1532 C CA  . GLN B 1 81  ? -1.175  3.004   28.103  1.00 11.62 ? 95  GLN B CA  1 
ATOM   1533 C C   . GLN B 1 81  ? -1.240  2.254   29.424  1.00 13.01 ? 95  GLN B C   1 
ATOM   1534 O O   . GLN B 1 81  ? -0.880  1.073   29.507  1.00 13.24 ? 95  GLN B O   1 
ATOM   1535 C CB  . GLN B 1 81  ? -2.509  2.901   27.333  1.00 15.51 ? 95  GLN B CB  1 
ATOM   1536 C CG  . GLN B 1 81  ? -2.817  1.580   26.683  1.00 15.93 ? 95  GLN B CG  1 
ATOM   1537 C CD  . GLN B 1 81  ? -4.081  1.656   25.822  1.00 15.55 ? 95  GLN B CD  1 
ATOM   1538 O OE1 . GLN B 1 81  ? -5.085  2.274   26.210  1.00 15.57 ? 95  GLN B OE1 1 
ATOM   1539 N NE2 . GLN B 1 81  ? -4.033  1.035   24.640  1.00 16.34 ? 95  GLN B NE2 1 
ATOM   1540 N N   . TYR B 1 82  ? -1.694  2.973   30.449  1.00 12.72 ? 96  TYR B N   1 
ATOM   1541 C CA  . TYR B 1 82  ? -1.967  2.409   31.766  1.00 12.74 ? 96  TYR B CA  1 
ATOM   1542 C C   . TYR B 1 82  ? -3.406  1.907   31.820  1.00 14.04 ? 96  TYR B C   1 
ATOM   1543 O O   . TYR B 1 82  ? -4.335  2.609   31.403  1.00 14.39 ? 96  TYR B O   1 
ATOM   1544 C CB  . TYR B 1 82  ? -1.750  3.473   32.845  1.00 13.34 ? 96  TYR B CB  1 
ATOM   1545 C CG  . TYR B 1 82  ? -2.452  3.180   34.168  1.00 14.52 ? 96  TYR B CG  1 
ATOM   1546 C CD1 . TYR B 1 82  ? -1.862  2.349   35.118  1.00 15.68 ? 96  TYR B CD1 1 
ATOM   1547 C CD2 . TYR B 1 82  ? -3.699  3.731   34.472  1.00 15.83 ? 96  TYR B CD2 1 
ATOM   1548 C CE1 . TYR B 1 82  ? -2.485  2.078   36.328  1.00 16.71 ? 96  TYR B CE1 1 
ATOM   1549 C CE2 . TYR B 1 82  ? -4.329  3.462   35.687  1.00 16.33 ? 96  TYR B CE2 1 
ATOM   1550 C CZ  . TYR B 1 82  ? -3.718  2.631   36.601  1.00 15.88 ? 96  TYR B CZ  1 
ATOM   1551 O OH  . TYR B 1 82  ? -4.339  2.364   37.801  1.00 19.40 ? 96  TYR B OH  1 
ATOM   1552 N N   . VAL B 1 83  ? -3.579  0.692   32.336  1.00 14.45 ? 97  VAL B N   1 
ATOM   1553 C CA  . VAL B 1 83  ? -4.886  0.065   32.487  1.00 17.26 ? 97  VAL B CA  1 
ATOM   1554 C C   . VAL B 1 83  ? -5.041  -0.278  33.961  1.00 18.31 ? 97  VAL B C   1 
ATOM   1555 O O   . VAL B 1 83  ? -4.256  -1.059  34.508  1.00 18.92 ? 97  VAL B O   1 
ATOM   1556 C CB  . VAL B 1 83  ? -5.011  -1.191  31.608  1.00 20.66 ? 97  VAL B CB  1 
ATOM   1557 C CG1 . VAL B 1 83  ? -6.385  -1.820  31.774  1.00 23.02 ? 97  VAL B CG1 1 
ATOM   1558 C CG2 . VAL B 1 83  ? -4.748  -0.847  30.136  1.00 22.13 ? 97  VAL B CG2 1 
ATOM   1559 N N   . GLY B 1 84  ? -6.052  0.304   34.605  1.00 20.20 ? 98  GLY B N   1 
ATOM   1560 C CA  . GLY B 1 84  ? -6.242  0.145   36.032  1.00 22.30 ? 98  GLY B CA  1 
ATOM   1561 C C   . GLY B 1 84  ? -7.011  -1.113  36.390  1.00 24.97 ? 98  GLY B C   1 
ATOM   1562 O O   . GLY B 1 84  ? -7.266  -1.990  35.564  1.00 28.64 ? 98  GLY B O   1 
ATOM   1563 N N   . GLY B 1 85  ? -7.389  -1.191  37.662  1.00 25.83 ? 99  GLY B N   1 
ATOM   1564 C CA  . GLY B 1 85  ? -8.152  -2.305  38.189  1.00 25.51 ? 99  GLY B CA  1 
ATOM   1565 C C   . GLY B 1 85  ? -7.297  -3.240  39.026  1.00 24.64 ? 99  GLY B C   1 
ATOM   1566 O O   . GLY B 1 85  ? -6.124  -2.980  39.315  1.00 24.60 ? 99  GLY B O   1 
ATOM   1567 N N   . ALA B 1 86  ? -7.911  -4.368  39.401  1.00 24.79 ? 100 ALA B N   1 
ATOM   1568 C CA  . ALA B 1 86  ? -7.254  -5.316  40.299  1.00 25.92 ? 100 ALA B CA  1 
ATOM   1569 C C   . ALA B 1 86  ? -6.003  -5.925  39.681  1.00 27.03 ? 100 ALA B C   1 
ATOM   1570 O O   . ALA B 1 86  ? -5.069  -6.291  40.406  1.00 29.09 ? 100 ALA B O   1 
ATOM   1571 C CB  . ALA B 1 86  ? -8.233  -6.413  40.718  1.00 26.42 ? 100 ALA B CB  1 
ATOM   1572 N N   . GLU B 1 87  ? -5.963  -6.047  38.352  1.00 25.23 ? 101 GLU B N   1 
ATOM   1573 C CA  . GLU B 1 87  ? -4.780  -6.546  37.661  1.00 25.23 ? 101 GLU B CA  1 
ATOM   1574 C C   . GLU B 1 87  ? -4.202  -5.450  36.777  1.00 21.54 ? 101 GLU B C   1 
ATOM   1575 O O   . GLU B 1 87  ? -4.131  -5.594  35.552  1.00 22.26 ? 101 GLU B O   1 
ATOM   1576 C CB  . GLU B 1 87  ? -5.124  -7.787  36.838  1.00 27.46 ? 101 GLU B CB  1 
ATOM   1577 C CG  . GLU B 1 87  ? -6.011  -8.777  37.581  0.56 29.05 ? 101 GLU B CG  1 
ATOM   1578 C CD  . GLU B 1 87  ? -5.953  -10.170 36.993  0.36 30.61 ? 101 GLU B CD  1 
ATOM   1579 O OE1 . GLU B 1 87  ? -4.834  -10.660 36.735  0.54 31.13 ? 101 GLU B OE1 1 
ATOM   1580 O OE2 . GLU B 1 87  ? -7.027  -10.774 36.787  0.41 31.18 ? 101 GLU B OE2 1 
ATOM   1581 N N   . ALA B 1 88  ? -3.781  -4.352  37.398  1.00 19.31 ? 102 ALA B N   1 
ATOM   1582 C CA  . ALA B 1 88  ? -3.369  -3.169  36.658  1.00 17.21 ? 102 ALA B CA  1 
ATOM   1583 C C   . ALA B 1 88  ? -2.111  -3.445  35.839  1.00 15.96 ? 102 ALA B C   1 
ATOM   1584 O O   . ALA B 1 88  ? -1.253  -4.245  36.219  1.00 15.87 ? 102 ALA B O   1 
ATOM   1585 C CB  . ALA B 1 88  ? -3.122  -2.013  37.629  1.00 17.38 ? 102 ALA B CB  1 
ATOM   1586 N N   . ARG B 1 89  ? -2.005  -2.766  34.699  1.00 14.12 ? 103 ARG B N   1 
ATOM   1587 C CA  . ARG B 1 89  ? -0.892  -2.983  33.785  1.00 14.20 ? 103 ARG B CA  1 
ATOM   1588 C C   . ARG B 1 89  ? -0.498  -1.662  33.151  1.00 11.71 ? 103 ARG B C   1 
ATOM   1589 O O   . ARG B 1 89  ? -1.326  -0.769  32.969  1.00 14.37 ? 103 ARG B O   1 
ATOM   1590 C CB  . ARG B 1 89  ? -1.299  -3.904  32.621  1.00 18.81 ? 103 ARG B CB  1 
ATOM   1591 C CG  . ARG B 1 89  ? -1.697  -5.315  33.000  0.89 20.82 ? 103 ARG B CG  1 
ATOM   1592 C CD  . ARG B 1 89  ? -0.484  -6.169  33.261  0.83 22.50 ? 103 ARG B CD  1 
ATOM   1593 N NE  . ARG B 1 89  ? -0.825  -7.559  33.540  0.79 23.81 ? 103 ARG B NE  1 
ATOM   1594 C CZ  . ARG B 1 89  ? -1.163  -8.026  34.736  0.48 25.48 ? 103 ARG B CZ  1 
ATOM   1595 N NH1 . ARG B 1 89  ? -1.234  -7.234  35.793  0.70 24.45 ? 103 ARG B NH1 1 
ATOM   1596 N NH2 . ARG B 1 89  ? -1.428  -9.321  34.875  1.00 28.18 ? 103 ARG B NH2 1 
ATOM   1597 N N   . ILE B 1 90  ? 0.773   -1.563  32.776  1.00 11.15 ? 104 ILE B N   1 
ATOM   1598 C CA  . ILE B 1 90  ? 1.208   -0.573  31.793  1.00 11.52 ? 104 ILE B CA  1 
ATOM   1599 C C   . ILE B 1 90  ? 1.732   -1.346  30.590  1.00 11.30 ? 104 ILE B C   1 
ATOM   1600 O O   . ILE B 1 90  ? 2.739   -2.059  30.693  1.00 12.16 ? 104 ILE B O   1 
ATOM   1601 C CB  . ILE B 1 90  ? 2.253   0.403   32.355  1.00 13.01 ? 104 ILE B CB  1 
ATOM   1602 C CG1 . ILE B 1 90  ? 1.663   1.147   33.561  1.00 12.96 ? 104 ILE B CG1 1 
ATOM   1603 C CG2 . ILE B 1 90  ? 2.671   1.412   31.277  1.00 14.56 ? 104 ILE B CG2 1 
ATOM   1604 C CD1 . ILE B 1 90  ? 2.660   2.095   34.232  1.00 14.59 ? 104 ILE B CD1 1 
ATOM   1605 N N   . ASN B 1 91  ? 1.028   -1.233  29.461  1.00 11.99 ? 105 ASN B N   1 
ATOM   1606 C CA  . ASN B 1 91  ? 1.346   -1.981  28.249  1.00 11.68 ? 105 ASN B CA  1 
ATOM   1607 C C   . ASN B 1 91  ? 2.054   -1.038  27.286  1.00 11.36 ? 105 ASN B C   1 
ATOM   1608 O O   . ASN B 1 91  ? 1.509   0.017   26.951  1.00 12.07 ? 105 ASN B O   1 
ATOM   1609 C CB  . ASN B 1 91  ? 0.051   -2.497  27.624  1.00 13.91 ? 105 ASN B CB  1 
ATOM   1610 C CG  . ASN B 1 91  ? -0.673  -3.463  28.527  1.00 16.32 ? 105 ASN B CG  1 
ATOM   1611 O OD1 . ASN B 1 91  ? -0.057  -4.352  29.116  1.00 18.83 ? 105 ASN B OD1 1 
ATOM   1612 N ND2 . ASN B 1 91  ? -1.983  -3.282  28.668  1.00 17.52 ? 105 ASN B ND2 1 
ATOM   1613 N N   . THR B 1 92  ? 3.273   -1.398  26.858  1.00 9.65  ? 106 THR B N   1 
ATOM   1614 C CA  . THR B 1 92  ? 4.103   -0.471  26.095  1.00 10.58 ? 106 THR B CA  1 
ATOM   1615 C C   . THR B 1 92  ? 4.756   -1.145  24.899  1.00 11.30 ? 106 THR B C   1 
ATOM   1616 O O   . THR B 1 92  ? 4.923   -2.367  24.841  1.00 11.30 ? 106 THR B O   1 
ATOM   1617 C CB  . THR B 1 92  ? 5.242   0.139   26.935  1.00 11.52 ? 106 THR B CB  1 
ATOM   1618 O OG1 . THR B 1 92  ? 6.229   -0.860  27.237  1.00 11.55 ? 106 THR B OG1 1 
ATOM   1619 C CG2 . THR B 1 92  ? 4.706   0.734   28.230  1.00 11.64 ? 106 THR B CG2 1 
ATOM   1620 N N   . GLN B 1 93  ? 5.118   -0.305  23.937  1.00 10.34 ? 107 GLN B N   1 
ATOM   1621 C CA  . GLN B 1 93  ? 6.103   -0.632  22.922  1.00 11.45 ? 107 GLN B CA  1 
ATOM   1622 C C   . GLN B 1 93  ? 7.237   0.374   23.066  1.00 10.44 ? 107 GLN B C   1 
ATOM   1623 O O   . GLN B 1 93  ? 7.022   1.497   23.539  1.00 11.56 ? 107 GLN B O   1 
ATOM   1624 C CB  . GLN B 1 93  ? 5.476   -0.616  21.525  1.00 11.52 ? 107 GLN B CB  1 
ATOM   1625 C CG  . GLN B 1 93  ? 4.320   -1.602  21.436  1.00 13.10 ? 107 GLN B CG  1 
ATOM   1626 C CD  . GLN B 1 93  ? 3.775   -1.768  20.029  1.00 13.11 ? 107 GLN B CD  1 
ATOM   1627 O OE1 . GLN B 1 93  ? 4.326   -2.518  19.226  1.00 15.05 ? 107 GLN B OE1 1 
ATOM   1628 N NE2 . GLN B 1 93  ? 2.678   -1.086  19.729  1.00 13.30 ? 107 GLN B NE2 1 
ATOM   1629 N N   . TRP B 1 94  ? 8.457   -0.036  22.712  1.00 9.85  ? 108 TRP B N   1 
ATOM   1630 C CA  . TRP B 1 94  ? 9.631   0.791   22.967  1.00 9.47  ? 108 TRP B CA  1 
ATOM   1631 C C   . TRP B 1 94  ? 10.549  0.871   21.749  1.00 10.19 ? 108 TRP B C   1 
ATOM   1632 O O   . TRP B 1 94  ? 10.561  -0.014  20.882  1.00 10.50 ? 108 TRP B O   1 
ATOM   1633 C CB  . TRP B 1 94  ? 10.419  0.380   24.237  1.00 10.62 ? 108 TRP B CB  1 
ATOM   1634 C CG  . TRP B 1 94  ? 10.858  -1.052  24.325  1.00 10.69 ? 108 TRP B CG  1 
ATOM   1635 C CD1 . TRP B 1 94  ? 10.287  -2.034  25.078  1.00 11.31 ? 108 TRP B CD1 1 
ATOM   1636 C CD2 . TRP B 1 94  ? 11.984  -1.659  23.662  1.00 10.99 ? 108 TRP B CD2 1 
ATOM   1637 N NE1 . TRP B 1 94  ? 10.974  -3.215  24.925  1.00 12.34 ? 108 TRP B NE1 1 
ATOM   1638 C CE2 . TRP B 1 94  ? 12.023  -3.013  24.061  1.00 11.42 ? 108 TRP B CE2 1 
ATOM   1639 C CE3 . TRP B 1 94  ? 12.969  -1.187  22.781  1.00 11.46 ? 108 TRP B CE3 1 
ATOM   1640 C CZ2 . TRP B 1 94  ? 13.005  -3.904  23.599  1.00 11.65 ? 108 TRP B CZ2 1 
ATOM   1641 C CZ3 . TRP B 1 94  ? 13.932  -2.074  22.320  1.00 11.30 ? 108 TRP B CZ3 1 
ATOM   1642 C CH2 . TRP B 1 94  ? 13.945  -3.413  22.731  1.00 11.56 ? 108 TRP B CH2 1 
ATOM   1643 N N   . LEU B 1 95  ? 11.312  1.966   21.707  1.00 10.98 ? 109 LEU B N   1 
ATOM   1644 C CA  . LEU B 1 95  ? 12.352  2.205   20.710  1.00 10.36 ? 109 LEU B CA  1 
ATOM   1645 C C   . LEU B 1 95  ? 13.646  2.551   21.437  1.00 10.84 ? 109 LEU B C   1 
ATOM   1646 O O   . LEU B 1 95  ? 13.652  3.428   22.308  1.00 12.83 ? 109 LEU B O   1 
ATOM   1647 C CB  . LEU B 1 95  ? 11.971  3.373   19.800  1.00 11.26 ? 109 LEU B CB  1 
ATOM   1648 C CG  . LEU B 1 95  ? 10.744  3.187   18.909  1.00 11.89 ? 109 LEU B CG  1 
ATOM   1649 C CD1 . LEU B 1 95  ? 10.392  4.495   18.213  1.00 13.30 ? 109 LEU B CD1 1 
ATOM   1650 C CD2 . LEU B 1 95  ? 10.983  2.081   17.894  1.00 13.65 ? 109 LEU B CD2 1 
ATOM   1651 N N   . LEU B 1 96  ? 14.736  1.869   21.086  1.00 10.94 ? 110 LEU B N   1 
ATOM   1652 C CA  . LEU B 1 96  ? 16.035  2.067   21.723  1.00 11.37 ? 110 LEU B CA  1 
ATOM   1653 C C   . LEU B 1 96  ? 17.008  2.527   20.642  1.00 10.61 ? 110 LEU B C   1 
ATOM   1654 O O   . LEU B 1 96  ? 17.418  1.730   19.784  1.00 11.98 ? 110 LEU B O   1 
ATOM   1655 C CB  . LEU B 1 96  ? 16.502  0.770   22.389  1.00 12.73 ? 110 LEU B CB  1 
ATOM   1656 C CG  . LEU B 1 96  ? 17.970  0.611   22.803  1.00 13.03 ? 110 LEU B CG  1 
ATOM   1657 C CD1 . LEU B 1 96  ? 18.445  1.809   23.594  1.00 13.84 ? 110 LEU B CD1 1 
ATOM   1658 C CD2 . LEU B 1 96  ? 18.127  -0.661  23.606  1.00 14.92 ? 110 LEU B CD2 1 
ATOM   1659 N N   . THR B 1 97  ? 17.371  3.811   20.663  1.00 11.49 ? 111 THR B N   1 
ATOM   1660 C CA  . THR B 1 97  ? 18.297  4.365   19.674  1.00 11.83 ? 111 THR B CA  1 
ATOM   1661 C C   . THR B 1 97  ? 19.677  4.532   20.297  1.00 11.85 ? 111 THR B C   1 
ATOM   1662 O O   . THR B 1 97  ? 19.810  5.115   21.379  1.00 13.53 ? 111 THR B O   1 
ATOM   1663 C CB  . THR B 1 97  ? 17.825  5.713   19.128  1.00 12.04 ? 111 THR B CB  1 
ATOM   1664 O OG1 . THR B 1 97  ? 16.531  5.558   18.534  1.00 13.43 ? 111 THR B OG1 1 
ATOM   1665 C CG2 . THR B 1 97  ? 18.810  6.232   18.058  1.00 13.48 ? 111 THR B CG2 1 
ATOM   1666 N N   . SER B 1 98  ? 20.700  4.027   19.609  1.00 13.14 ? 112 SER B N   1 
ATOM   1667 C CA  . SER B 1 98  ? 22.088  4.209   20.000  1.00 13.57 ? 112 SER B CA  1 
ATOM   1668 C C   . SER B 1 98  ? 22.699  5.317   19.151  1.00 14.19 ? 112 SER B C   1 
ATOM   1669 O O   . SER B 1 98  ? 22.361  5.462   17.972  1.00 14.92 ? 112 SER B O   1 
ATOM   1670 C CB  . SER B 1 98  ? 22.865  2.920   19.730  1.00 15.46 ? 112 SER B CB  1 
ATOM   1671 O OG  . SER B 1 98  ? 22.443  1.886   20.602  1.00 16.81 ? 112 SER B OG  1 
ATOM   1672 N N   . GLY B 1 99  ? 23.570  6.114   19.760  1.00 14.98 ? 113 GLY B N   1 
ATOM   1673 C CA  . GLY B 1 99  ? 24.403  7.020   18.988  1.00 15.58 ? 113 GLY B CA  1 
ATOM   1674 C C   . GLY B 1 99  ? 25.312  6.261   18.040  1.00 16.63 ? 113 GLY B C   1 
ATOM   1675 O O   . GLY B 1 99  ? 26.017  5.342   18.465  1.00 17.82 ? 113 GLY B O   1 
ATOM   1676 N N   . THR B 1 100 ? 25.279  6.601   16.750  1.00 15.93 ? 114 THR B N   1 
ATOM   1677 C CA  . THR B 1 100 ? 26.079  5.912   15.744  1.00 17.09 ? 114 THR B CA  1 
ATOM   1678 C C   . THR B 1 100 ? 26.685  6.927   14.788  1.00 17.40 ? 114 THR B C   1 
ATOM   1679 O O   . THR B 1 100 ? 26.306  8.100   14.752  1.00 18.03 ? 114 THR B O   1 
ATOM   1680 C CB  . THR B 1 100 ? 25.229  4.947   14.897  1.00 17.97 ? 114 THR B CB  1 
ATOM   1681 O OG1 . THR B 1 100 ? 24.353  5.703   14.054  1.00 18.06 ? 114 THR B OG1 1 
ATOM   1682 C CG2 . THR B 1 100 ? 24.415  3.985   15.759  1.00 18.67 ? 114 THR B CG2 1 
ATOM   1683 N N   . THR B 1 101 ? 27.640  6.459   13.991  1.00 17.55 ? 115 THR B N   1 
ATOM   1684 C CA  . THR B 1 101 ? 28.056  7.245   12.843  1.00 20.24 ? 115 THR B CA  1 
ATOM   1685 C C   . THR B 1 101 ? 26.970  7.181   11.773  1.00 21.58 ? 115 THR B C   1 
ATOM   1686 O O   . THR B 1 101 ? 26.046  6.364   11.833  1.00 20.42 ? 115 THR B O   1 
ATOM   1687 C CB  . THR B 1 101 ? 29.366  6.711   12.262  1.00 22.19 ? 115 THR B CB  1 
ATOM   1688 O OG1 . THR B 1 101 ? 29.182  5.352   11.849  1.00 23.68 ? 115 THR B OG1 1 
ATOM   1689 C CG2 . THR B 1 101 ? 30.474  6.775   13.298  1.00 22.22 ? 115 THR B CG2 1 
ATOM   1690 N N   . GLU B 1 102 ? 27.100  8.045   10.763  1.00 24.31 ? 116 GLU B N   1 
ATOM   1691 C CA  . GLU B 1 102 ? 26.116  8.050   9.685   1.00 25.86 ? 116 GLU B CA  1 
ATOM   1692 C C   . GLU B 1 102 ? 26.082  6.708   8.964   1.00 24.69 ? 116 GLU B C   1 
ATOM   1693 O O   . GLU B 1 102 ? 25.002  6.191   8.651   1.00 24.57 ? 116 GLU B O   1 
ATOM   1694 C CB  . GLU B 1 102 ? 26.396  9.199   8.714   1.00 28.74 ? 116 GLU B CB  1 
ATOM   1695 C CG  . GLU B 1 102 ? 26.261  10.568  9.361   0.48 30.43 ? 116 GLU B CG  1 
ATOM   1696 C CD  . GLU B 1 102 ? 26.564  11.708  8.412   0.44 31.71 ? 116 GLU B CD  1 
ATOM   1697 O OE1 . GLU B 1 102 ? 26.743  11.451  7.203   0.33 32.01 ? 116 GLU B OE1 1 
ATOM   1698 O OE2 . GLU B 1 102 ? 26.624  12.866  8.880   0.64 32.39 ? 116 GLU B OE2 1 
ATOM   1699 N N   . ALA B 1 103 ? 27.255  6.113   8.726   1.00 24.51 ? 117 ALA B N   1 
ATOM   1700 C CA  . ALA B 1 103 ? 27.316  4.845   8.005   1.00 24.42 ? 117 ALA B CA  1 
ATOM   1701 C C   . ALA B 1 103 ? 26.609  3.723   8.754   1.00 22.61 ? 117 ALA B C   1 
ATOM   1702 O O   . ALA B 1 103 ? 26.149  2.758   8.134   1.00 22.80 ? 117 ALA B O   1 
ATOM   1703 C CB  . ALA B 1 103 ? 28.771  4.468   7.719   1.00 26.91 ? 117 ALA B CB  1 
ATOM   1704 N N   . ASN B 1 104 ? 26.500  3.831   10.075  1.00 20.90 ? 118 ASN B N   1 
ATOM   1705 C CA  . ASN B 1 104 ? 25.871  2.802   10.887  1.00 20.02 ? 118 ASN B CA  1 
ATOM   1706 C C   . ASN B 1 104 ? 24.473  3.192   11.344  1.00 18.71 ? 118 ASN B C   1 
ATOM   1707 O O   . ASN B 1 104 ? 23.865  2.470   12.144  1.00 19.19 ? 118 ASN B O   1 
ATOM   1708 C CB  . ASN B 1 104 ? 26.748  2.472   12.093  1.00 22.87 ? 118 ASN B CB  1 
ATOM   1709 C CG  . ASN B 1 104 ? 28.040  1.810   11.693  1.00 24.42 ? 118 ASN B CG  1 
ATOM   1710 O OD1 . ASN B 1 104 ? 28.086  1.062   10.716  1.00 25.68 ? 118 ASN B OD1 1 
ATOM   1711 N ND2 . ASN B 1 104 ? 29.102  2.087   12.435  1.00 25.64 ? 118 ASN B ND2 1 
ATOM   1712 N N   . ALA B 1 105 ? 23.948  4.317   10.856  1.00 18.61 ? 119 ALA B N   1 
ATOM   1713 C CA  . ALA B 1 105 ? 22.658  4.800   11.340  1.00 18.95 ? 119 ALA B CA  1 
ATOM   1714 C C   . ALA B 1 105 ? 21.516  3.854   10.986  1.00 17.54 ? 119 ALA B C   1 
ATOM   1715 O O   . ALA B 1 105 ? 20.499  3.826   11.688  1.00 16.91 ? 119 ALA B O   1 
ATOM   1716 C CB  . ALA B 1 105 ? 22.387  6.206   10.805  1.00 21.68 ? 119 ALA B CB  1 
ATOM   1717 N N   . TRP B 1 106 ? 21.662  3.064   9.919   1.00 19.14 ? 120 TRP B N   1 
ATOM   1718 C CA  . TRP B 1 106 ? 20.594  2.152   9.522   1.00 20.40 ? 120 TRP B CA  1 
ATOM   1719 C C   . TRP B 1 106 ? 20.295  1.120   10.603  1.00 20.48 ? 120 TRP B C   1 
ATOM   1720 O O   . TRP B 1 106 ? 19.177  0.604   10.669  1.00 21.92 ? 120 TRP B O   1 
ATOM   1721 C CB  . TRP B 1 106 ? 20.947  1.457   8.202   1.00 22.15 ? 120 TRP B CB  1 
ATOM   1722 C CG  . TRP B 1 106 ? 22.101  0.520   8.327   1.00 24.07 ? 120 TRP B CG  1 
ATOM   1723 C CD1 . TRP B 1 106 ? 23.424  0.829   8.187   1.00 24.32 ? 120 TRP B CD1 1 
ATOM   1724 C CD2 . TRP B 1 106 ? 22.046  -0.886  8.610   1.00 25.75 ? 120 TRP B CD2 1 
ATOM   1725 N NE1 . TRP B 1 106 ? 24.193  -0.291  8.376   1.00 25.22 ? 120 TRP B NE1 1 
ATOM   1726 C CE2 . TRP B 1 106 ? 23.374  -1.358  8.632   1.00 27.36 ? 120 TRP B CE2 1 
ATOM   1727 C CE3 . TRP B 1 106 ? 21.004  -1.791  8.846   1.00 28.13 ? 120 TRP B CE3 1 
ATOM   1728 C CZ2 . TRP B 1 106 ? 23.691  -2.693  8.883   1.00 29.15 ? 120 TRP B CZ2 1 
ATOM   1729 C CZ3 . TRP B 1 106 ? 21.323  -3.121  9.094   1.00 29.08 ? 120 TRP B CZ3 1 
ATOM   1730 C CH2 . TRP B 1 106 ? 22.657  -3.556  9.108   1.00 29.37 ? 120 TRP B CH2 1 
ATOM   1731 N N   . LYS B 1 107 ? 21.277  0.804   11.451  1.00 20.20 ? 121 LYS B N   1 
ATOM   1732 C CA  . LYS B 1 107 ? 21.127  -0.177  12.521  1.00 21.15 ? 121 LYS B CA  1 
ATOM   1733 C C   . LYS B 1 107 ? 21.170  0.474   13.901  1.00 18.60 ? 121 LYS B C   1 
ATOM   1734 O O   . LYS B 1 107 ? 21.585  -0.149  14.882  1.00 19.47 ? 121 LYS B O   1 
ATOM   1735 C CB  . LYS B 1 107 ? 22.169  -1.289  12.398  1.00 25.20 ? 121 LYS B CB  1 
ATOM   1736 C CG  . LYS B 1 107 ? 23.611  -0.791  12.347  1.00 27.37 ? 121 LYS B CG  1 
ATOM   1737 C CD  . LYS B 1 107 ? 24.608  -1.943  12.411  1.00 29.56 ? 121 LYS B CD  1 
ATOM   1738 C CE  . LYS B 1 107 ? 26.044  -1.434  12.331  1.00 32.03 ? 121 LYS B CE  1 
ATOM   1739 N NZ  . LYS B 1 107 ? 27.074  -2.518  12.424  1.00 33.99 ? 121 LYS B NZ  1 
ATOM   1740 N N   . SER B 1 108 ? 20.737  1.729   13.984  1.00 15.95 ? 122 SER B N   1 
ATOM   1741 C CA  . SER B 1 108 ? 20.780  2.477   15.236  1.00 14.61 ? 122 SER B CA  1 
ATOM   1742 C C   . SER B 1 108 ? 19.616  2.196   16.188  1.00 12.53 ? 122 SER B C   1 
ATOM   1743 O O   . SER B 1 108 ? 19.742  2.516   17.374  1.00 13.03 ? 122 SER B O   1 
ATOM   1744 C CB  . SER B 1 108 ? 20.810  3.980   14.949  1.00 15.30 ? 122 SER B CB  1 
ATOM   1745 O OG  . SER B 1 108 ? 19.586  4.397   14.357  1.00 17.19 ? 122 SER B OG  1 
ATOM   1746 N N   . THR B 1 109 ? 18.493  1.639   15.720  1.00 11.34 ? 123 THR B N   1 
ATOM   1747 C CA  . THR B 1 109 ? 17.260  1.632   16.511  1.00 11.50 ? 123 THR B CA  1 
ATOM   1748 C C   . THR B 1 109 ? 16.681  0.231   16.632  1.00 11.42 ? 123 THR B C   1 
ATOM   1749 O O   . THR B 1 109 ? 16.264  -0.367  15.631  1.00 12.33 ? 123 THR B O   1 
ATOM   1750 C CB  . THR B 1 109 ? 16.214  2.566   15.900  1.00 12.12 ? 123 THR B CB  1 
ATOM   1751 O OG1 . THR B 1 109 ? 16.774  3.870   15.715  1.00 13.67 ? 123 THR B OG1 1 
ATOM   1752 C CG2 . THR B 1 109 ? 15.010  2.668   16.829  1.00 12.23 ? 123 THR B CG2 1 
ATOM   1753 N N   . LEU B 1 110 ? 16.589  -0.259  17.868  1.00 11.21 ? 124 LEU B N   1 
ATOM   1754 C CA  . LEU B 1 110 ? 15.892  -1.498  18.168  1.00 11.39 ? 124 LEU B CA  1 
ATOM   1755 C C   . LEU B 1 110 ? 14.458  -1.186  18.579  1.00 11.11 ? 124 LEU B C   1 
ATOM   1756 O O   . LEU B 1 110 ? 14.165  -0.101  19.097  1.00 11.71 ? 124 LEU B O   1 
ATOM   1757 C CB  . LEU B 1 110 ? 16.571  -2.223  19.330  1.00 11.60 ? 124 LEU B CB  1 
ATOM   1758 C CG  . LEU B 1 110 ? 17.972  -2.754  19.050  1.00 13.12 ? 124 LEU B CG  1 
ATOM   1759 C CD1 . LEU B 1 110 ? 18.717  -3.015  20.354  1.00 13.47 ? 124 LEU B CD1 1 
ATOM   1760 C CD2 . LEU B 1 110 ? 17.880  -4.021  18.211  1.00 15.03 ? 124 LEU B CD2 1 
ATOM   1761 N N   . VAL B 1 111 ? 13.567  -2.161  18.373  1.00 10.93 ? 125 VAL B N   1 
ATOM   1762 C CA  . VAL B 1 111 ? 12.161  -2.040  18.746  1.00 10.93 ? 125 VAL B CA  1 
ATOM   1763 C C   . VAL B 1 111 ? 11.737  -3.272  19.539  1.00 10.54 ? 125 VAL B C   1 
ATOM   1764 O O   . VAL B 1 111 ? 12.172  -4.393  19.268  1.00 11.19 ? 125 VAL B O   1 
ATOM   1765 C CB  . VAL B 1 111 ? 11.249  -1.818  17.501  1.00 11.98 ? 125 VAL B CB  1 
ATOM   1766 C CG1 . VAL B 1 111 ? 11.347  -2.980  16.521  1.00 12.55 ? 125 VAL B CG1 1 
ATOM   1767 C CG2 . VAL B 1 111 ? 9.791   -1.591  17.917  1.00 13.05 ? 125 VAL B CG2 1 
ATOM   1768 N N   . GLY B 1 112 ? 10.836  -3.066  20.495  1.00 10.19 ? 126 GLY B N   1 
ATOM   1769 C CA  . GLY B 1 112 ? 10.293  -4.176  21.250  1.00 11.92 ? 126 GLY B CA  1 
ATOM   1770 C C   . GLY B 1 112 ? 9.086   -3.763  22.064  1.00 10.90 ? 126 GLY B C   1 
ATOM   1771 O O   . GLY B 1 112 ? 8.479   -2.722  21.814  1.00 11.29 ? 126 GLY B O   1 
ATOM   1772 N N   . HIS B 1 113 ? 8.747   -4.595  23.051  1.00 11.54 ? 127 HIS B N   1 
ATOM   1773 C CA  . HIS B 1 113 ? 7.575   -4.355  23.885  1.00 11.00 ? 127 HIS B CA  1 
ATOM   1774 C C   . HIS B 1 113 ? 7.861   -4.770  25.324  1.00 11.48 ? 127 HIS B C   1 
ATOM   1775 O O   . HIS B 1 113 ? 8.664   -5.669  25.581  1.00 15.48 ? 127 HIS B O   1 
ATOM   1776 C CB  . HIS B 1 113 ? 6.317   -5.061  23.324  1.00 13.53 ? 127 HIS B CB  1 
ATOM   1777 C CG  . HIS B 1 113 ? 6.542   -6.501  22.982  1.00 16.68 ? 127 HIS B CG  1 
ATOM   1778 N ND1 . HIS B 1 113 ? 6.257   -7.527  23.856  1.00 19.81 ? 127 HIS B ND1 1 
ATOM   1779 C CD2 . HIS B 1 113 ? 7.056   -7.084  21.873  1.00 19.44 ? 127 HIS B CD2 1 
ATOM   1780 C CE1 . HIS B 1 113 ? 6.566   -8.682  23.295  1.00 20.59 ? 127 HIS B CE1 1 
ATOM   1781 N NE2 . HIS B 1 113 ? 7.055   -8.441  22.092  1.00 20.96 ? 127 HIS B NE2 1 
ATOM   1782 N N   . ASP B 1 114 ? 7.211   -4.080  26.264  1.00 11.91 ? 128 ASP B N   1 
ATOM   1783 C CA  . ASP B 1 114 ? 7.303   -4.389  27.686  1.00 12.88 ? 128 ASP B CA  1 
ATOM   1784 C C   . ASP B 1 114 ? 5.913   -4.285  28.294  1.00 11.98 ? 128 ASP B C   1 
ATOM   1785 O O   . ASP B 1 114 ? 5.170   -3.350  27.987  1.00 12.91 ? 128 ASP B O   1 
ATOM   1786 C CB  . ASP B 1 114 ? 8.184   -3.369  28.441  1.00 13.20 ? 128 ASP B CB  1 
ATOM   1787 C CG  A ASP B 1 114 ? 9.619   -3.834  28.627  0.61 14.30 ? 128 ASP B CG  1 
ATOM   1788 C CG  B ASP B 1 114 ? 9.668   -3.572  28.209  0.39 14.24 ? 128 ASP B CG  1 
ATOM   1789 O OD1 A ASP B 1 114 ? 9.859   -5.023  28.929  0.61 15.05 ? 128 ASP B OD1 1 
ATOM   1790 O OD1 B ASP B 1 114 ? 10.072  -4.614  27.649  0.39 15.04 ? 128 ASP B OD1 1 
ATOM   1791 O OD2 A ASP B 1 114 ? 10.510  -2.980  28.493  0.61 15.41 ? 128 ASP B OD2 1 
ATOM   1792 O OD2 B ASP B 1 114 ? 10.430  -2.669  28.604  0.39 15.12 ? 128 ASP B OD2 1 
ATOM   1793 N N   . THR B 1 115 ? 5.581   -5.228  29.175  1.00 13.06 ? 129 THR B N   1 
ATOM   1794 C CA  . THR B 1 115 ? 4.378   -5.167  29.999  1.00 13.47 ? 129 THR B CA  1 
ATOM   1795 C C   . THR B 1 115 ? 4.799   -5.054  31.457  1.00 13.07 ? 129 THR B C   1 
ATOM   1796 O O   . THR B 1 115 ? 5.584   -5.877  31.945  1.00 14.40 ? 129 THR B O   1 
ATOM   1797 C CB  . THR B 1 115 ? 3.527   -6.425  29.806  1.00 16.14 ? 129 THR B CB  1 
ATOM   1798 O OG1 . THR B 1 115 ? 3.244   -6.604  28.409  1.00 19.95 ? 129 THR B OG1 1 
ATOM   1799 C CG2 . THR B 1 115 ? 2.216   -6.307  30.583  1.00 16.96 ? 129 THR B CG2 1 
ATOM   1800 N N   . PHE B 1 116 ? 4.294   -4.033  32.144  1.00 11.34 ? 130 PHE B N   1 
ATOM   1801 C CA  . PHE B 1 116 ? 4.618   -3.794  33.544  1.00 12.62 ? 130 PHE B CA  1 
ATOM   1802 C C   . PHE B 1 116 ? 3.411   -4.102  34.428  1.00 10.52 ? 130 PHE B C   1 
ATOM   1803 O O   . PHE B 1 116 ? 2.263   -3.813  34.062  1.00 11.43 ? 130 PHE B O   1 
ATOM   1804 C CB  . PHE B 1 116 ? 5.017   -2.341  33.755  1.00 12.44 ? 130 PHE B CB  1 
ATOM   1805 C CG  . PHE B 1 116 ? 6.240   -1.935  32.988  1.00 11.40 ? 130 PHE B CG  1 
ATOM   1806 C CD1 . PHE B 1 116 ? 6.128   -1.424  31.705  1.00 12.32 ? 130 PHE B CD1 1 
ATOM   1807 C CD2 . PHE B 1 116 ? 7.503   -2.060  33.542  1.00 12.51 ? 130 PHE B CD2 1 
ATOM   1808 C CE1 . PHE B 1 116 ? 7.252   -1.041  30.992  1.00 12.42 ? 130 PHE B CE1 1 
ATOM   1809 C CE2 . PHE B 1 116 ? 8.640   -1.677  32.834  1.00 13.03 ? 130 PHE B CE2 1 
ATOM   1810 C CZ  . PHE B 1 116 ? 8.509   -1.172  31.556  1.00 11.89 ? 130 PHE B CZ  1 
ATOM   1811 N N   . THR B 1 117 ? 3.675   -4.699  35.590  1.00 11.91 ? 131 THR B N   1 
ATOM   1812 C CA  . THR B 1 117 ? 2.658   -5.019  36.588  1.00 13.40 ? 131 THR B CA  1 
ATOM   1813 C C   . THR B 1 117 ? 3.074   -4.454  37.944  1.00 13.80 ? 131 THR B C   1 
ATOM   1814 O O   . THR B 1 117 ? 4.248   -4.148  38.183  1.00 13.22 ? 131 THR B O   1 
ATOM   1815 C CB  . THR B 1 117 ? 2.477   -6.538  36.699  1.00 18.78 ? 131 THR B CB  1 
ATOM   1816 O OG1 . THR B 1 117 ? 3.732   -7.145  37.034  1.00 22.04 ? 131 THR B OG1 1 
ATOM   1817 C CG2 . THR B 1 117 ? 2.002   -7.115  35.385  1.00 21.27 ? 131 THR B CG2 1 
ATOM   1818 N N   . LYS B 1 118 ? 2.094   -4.325  38.848  1.00 14.65 ? 132 LYS B N   1 
ATOM   1819 C CA  . LYS B 1 118 ? 2.376   -3.845  40.198  1.00 16.41 ? 132 LYS B CA  1 
ATOM   1820 C C   . LYS B 1 118 ? 2.913   -4.933  41.116  1.00 17.70 ? 132 LYS B C   1 
ATOM   1821 O O   . LYS B 1 118 ? 3.405   -4.614  42.207  1.00 18.78 ? 132 LYS B O   1 
ATOM   1822 C CB  . LYS B 1 118 ? 1.126   -3.221  40.822  1.00 16.78 ? 132 LYS B CB  1 
ATOM   1823 C CG  . LYS B 1 118 ? 0.732   -1.884  40.208  1.00 19.16 ? 132 LYS B CG  1 
ATOM   1824 C CD  . LYS B 1 118 ? -0.465  -1.275  40.934  1.00 22.38 ? 132 LYS B CD  1 
ATOM   1825 C CE  . LYS B 1 118 ? -0.986  -0.052  40.191  1.00 25.45 ? 132 LYS B CE  1 
ATOM   1826 N NZ  . LYS B 1 118 ? -2.156  0.585   40.855  1.00 28.23 ? 132 LYS B NZ  1 
ATOM   1827 N N   . VAL B 1 119 ? 2.829   -6.195  40.710  1.00 20.80 ? 133 VAL B N   1 
ATOM   1828 C CA  . VAL B 1 119 ? 3.346   -7.323  41.475  1.00 26.42 ? 133 VAL B CA  1 
ATOM   1829 C C   . VAL B 1 119 ? 4.493   -7.937  40.685  1.00 30.95 ? 133 VAL B C   1 
ATOM   1830 O O   . VAL B 1 119 ? 4.408   -8.069  39.459  1.00 32.39 ? 133 VAL B O   1 
ATOM   1831 C CB  . VAL B 1 119 ? 2.237   -8.362  41.729  1.00 28.31 ? 133 VAL B CB  1 
ATOM   1832 C CG1 . VAL B 1 119 ? 2.759   -9.509  42.578  1.00 29.88 ? 133 VAL B CG1 1 
ATOM   1833 C CG2 . VAL B 1 119 ? 1.031   -7.703  42.394  1.00 28.85 ? 133 VAL B CG2 1 
ATOM   1834 N N   . LYS B 1 120 ? 5.562   -8.306  41.387  1.00 35.00 ? 134 LYS B N   1 
ATOM   1835 C CA  . LYS B 1 120 ? 6.757   -8.868  40.757  1.00 37.49 ? 134 LYS B CA  1 
ATOM   1836 C C   . LYS B 1 120 ? 6.449   -10.051 39.841  1.00 37.95 ? 134 LYS B C   1 
ATOM   1837 O O   . LYS B 1 120 ? 5.911   -11.068 40.279  1.00 38.42 ? 134 LYS B O   1 
ATOM   1838 C CB  . LYS B 1 120 ? 7.770   -9.293  41.821  1.00 39.14 ? 134 LYS B CB  1 
ATOM   1839 C CG  . LYS B 1 120 ? 8.209   -8.173  42.751  1.00 40.33 ? 134 LYS B CG  1 
ATOM   1840 C CD  . LYS B 1 120 ? 9.436   -8.584  43.547  1.00 40.95 ? 134 LYS B CD  1 
ATOM   1841 C CE  . LYS B 1 120 ? 10.038  -7.405  44.292  1.00 41.43 ? 134 LYS B CE  1 
ATOM   1842 N NZ  . LYS B 1 120 ? 11.429  -7.699  44.742  1.00 41.70 ? 134 LYS B NZ  1 
ATOM   1843 N N   . GLY C 1 2   ? 24.199  23.078  19.569  1.00 27.11 ? 16  GLY C N   1 
ATOM   1844 C CA  . GLY C 1 2   ? 23.809  21.854  20.245  1.00 24.95 ? 16  GLY C CA  1 
ATOM   1845 C C   . GLY C 1 2   ? 22.342  21.515  20.081  1.00 22.94 ? 16  GLY C C   1 
ATOM   1846 O O   . GLY C 1 2   ? 21.697  21.957  19.132  1.00 23.44 ? 16  GLY C O   1 
ATOM   1847 N N   . ILE C 1 3   ? 21.818  20.726  21.022  1.00 20.16 ? 17  ILE C N   1 
ATOM   1848 C CA  . ILE C 1 3   ? 20.415  20.318  20.980  1.00 17.96 ? 17  ILE C CA  1 
ATOM   1849 C C   . ILE C 1 3   ? 19.494  21.496  21.288  1.00 17.17 ? 17  ILE C C   1 
ATOM   1850 O O   . ILE C 1 3   ? 18.419  21.632  20.690  1.00 17.59 ? 17  ILE C O   1 
ATOM   1851 C CB  . ILE C 1 3   ? 20.188  19.134  21.941  1.00 17.82 ? 17  ILE C CB  1 
ATOM   1852 C CG1 . ILE C 1 3   ? 20.892  17.876  21.428  1.00 19.01 ? 17  ILE C CG1 1 
ATOM   1853 C CG2 . ILE C 1 3   ? 18.702  18.880  22.168  1.00 17.66 ? 17  ILE C CG2 1 
ATOM   1854 C CD1 . ILE C 1 3   ? 21.076  16.810  22.492  1.00 19.14 ? 17  ILE C CD1 1 
ATOM   1855 N N   . THR C 1 4   ? 19.890  22.354  22.228  1.00 17.64 ? 18  THR C N   1 
ATOM   1856 C CA  . THR C 1 4   ? 19.065  23.490  22.621  1.00 17.56 ? 18  THR C CA  1 
ATOM   1857 C C   . THR C 1 4   ? 18.791  24.394  21.424  1.00 18.01 ? 18  THR C C   1 
ATOM   1858 O O   . THR C 1 4   ? 19.710  24.779  20.697  1.00 19.44 ? 18  THR C O   1 
ATOM   1859 C CB  . THR C 1 4   ? 19.763  24.275  23.732  1.00 18.44 ? 18  THR C CB  1 
ATOM   1860 O OG1 . THR C 1 4   ? 19.862  23.454  24.901  1.00 18.17 ? 18  THR C OG1 1 
ATOM   1861 C CG2 . THR C 1 4   ? 18.995  25.546  24.070  1.00 18.87 ? 18  THR C CG2 1 
ATOM   1862 N N   . GLY C 1 5   ? 17.523  24.712  21.208  1.00 17.13 ? 19  GLY C N   1 
ATOM   1863 C CA  . GLY C 1 5   ? 17.137  25.604  20.136  1.00 17.27 ? 19  GLY C CA  1 
ATOM   1864 C C   . GLY C 1 5   ? 15.749  25.271  19.623  1.00 17.33 ? 19  GLY C C   1 
ATOM   1865 O O   . GLY C 1 5   ? 14.998  24.522  20.241  1.00 18.03 ? 19  GLY C O   1 
ATOM   1866 N N   . THR C 1 6   ? 15.426  25.852  18.470  1.00 17.36 ? 20  THR C N   1 
ATOM   1867 C CA  . THR C 1 6   ? 14.129  25.688  17.825  1.00 18.20 ? 20  THR C CA  1 
ATOM   1868 C C   . THR C 1 6   ? 14.310  24.850  16.566  1.00 17.53 ? 20  THR C C   1 
ATOM   1869 O O   . THR C 1 6   ? 15.104  25.205  15.688  1.00 18.37 ? 20  THR C O   1 
ATOM   1870 C CB  . THR C 1 6   ? 13.532  27.052  17.485  1.00 18.99 ? 20  THR C CB  1 
ATOM   1871 O OG1 . THR C 1 6   ? 13.256  27.760  18.700  1.00 19.37 ? 20  THR C OG1 1 
ATOM   1872 C CG2 . THR C 1 6   ? 12.243  26.891  16.695  1.00 20.08 ? 20  THR C CG2 1 
ATOM   1873 N N   . TRP C 1 7   ? 13.559  23.756  16.477  1.00 16.67 ? 21  TRP C N   1 
ATOM   1874 C CA  . TRP C 1 7   ? 13.679  22.785  15.403  1.00 16.32 ? 21  TRP C CA  1 
ATOM   1875 C C   . TRP C 1 7   ? 12.345  22.647  14.682  1.00 16.52 ? 21  TRP C C   1 
ATOM   1876 O O   . TRP C 1 7   ? 11.280  22.915  15.246  1.00 17.06 ? 21  TRP C O   1 
ATOM   1877 C CB  . TRP C 1 7   ? 14.066  21.412  15.959  1.00 17.17 ? 21  TRP C CB  1 
ATOM   1878 C CG  . TRP C 1 7   ? 15.370  21.382  16.693  1.00 17.18 ? 21  TRP C CG  1 
ATOM   1879 C CD1 . TRP C 1 7   ? 15.596  21.756  17.988  1.00 16.52 ? 21  TRP C CD1 1 
ATOM   1880 C CD2 . TRP C 1 7   ? 16.626  20.927  16.181  1.00 17.07 ? 21  TRP C CD2 1 
ATOM   1881 N NE1 . TRP C 1 7   ? 16.922  21.576  18.307  1.00 16.41 ? 21  TRP C NE1 1 
ATOM   1882 C CE2 . TRP C 1 7   ? 17.574  21.064  17.215  1.00 16.82 ? 21  TRP C CE2 1 
ATOM   1883 C CE3 . TRP C 1 7   ? 17.043  20.420  14.944  1.00 18.10 ? 21  TRP C CE3 1 
ATOM   1884 C CZ2 . TRP C 1 7   ? 18.913  20.710  17.049  1.00 17.71 ? 21  TRP C CZ2 1 
ATOM   1885 C CZ3 . TRP C 1 7   ? 18.371  20.074  14.779  1.00 18.38 ? 21  TRP C CZ3 1 
ATOM   1886 C CH2 . TRP C 1 7   ? 19.291  20.219  15.827  1.00 18.03 ? 21  TRP C CH2 1 
ATOM   1887 N N   . TYR C 1 8   ? 12.413  22.199  13.428  1.00 16.09 ? 22  TYR C N   1 
ATOM   1888 C CA  . TYR C 1 8   ? 11.233  21.961  12.606  1.00 14.71 ? 22  TYR C CA  1 
ATOM   1889 C C   . TYR C 1 8   ? 11.360  20.597  11.948  1.00 15.35 ? 22  TYR C C   1 
ATOM   1890 O O   . TYR C 1 8   ? 12.437  20.241  11.463  1.00 14.91 ? 22  TYR C O   1 
ATOM   1891 C CB  . TYR C 1 8   ? 11.107  23.030  11.510  1.00 16.36 ? 22  TYR C CB  1 
ATOM   1892 C CG  . TYR C 1 8   ? 11.169  24.441  12.035  1.00 18.46 ? 22  TYR C CG  1 
ATOM   1893 C CD1 . TYR C 1 8   ? 10.026  25.078  12.496  1.00 20.48 ? 22  TYR C CD1 1 
ATOM   1894 C CD2 . TYR C 1 8   ? 12.374  25.131  12.089  1.00 20.22 ? 22  TYR C CD2 1 
ATOM   1895 C CE1 . TYR C 1 8   ? 10.075  26.365  12.984  1.00 22.10 ? 22  TYR C CE1 1 
ATOM   1896 C CE2 . TYR C 1 8   ? 12.433  26.423  12.578  1.00 22.16 ? 22  TYR C CE2 1 
ATOM   1897 C CZ  . TYR C 1 8   ? 11.277  27.034  13.024  1.00 22.25 ? 22  TYR C CZ  1 
ATOM   1898 O OH  . TYR C 1 8   ? 11.316  28.321  13.512  1.00 23.87 ? 22  TYR C OH  1 
ATOM   1899 N N   . ASN C 1 9   ? 10.270  19.831  11.918  1.00 15.57 ? 23  ASN C N   1 
ATOM   1900 C CA  . ASN C 1 9   ? 10.318  18.568  11.194  1.00 15.90 ? 23  ASN C CA  1 
ATOM   1901 C C   . ASN C 1 9   ? 9.907   18.756  9.733   1.00 16.64 ? 23  ASN C C   1 
ATOM   1902 O O   . ASN C 1 9   ? 9.607   19.863  9.283   1.00 17.65 ? 23  ASN C O   1 
ATOM   1903 C CB  . ASN C 1 9   ? 9.582   17.438  11.923  1.00 16.62 ? 23  ASN C CB  1 
ATOM   1904 C CG  . ASN C 1 9   ? 8.069   17.528  11.810  1.00 17.13 ? 23  ASN C CG  1 
ATOM   1905 O OD1 . ASN C 1 9   ? 7.518   18.411  11.155  1.00 17.52 ? 23  ASN C OD1 1 
ATOM   1906 N ND2 . ASN C 1 9   ? 7.389   16.583  12.447  1.00 18.35 ? 23  ASN C ND2 1 
ATOM   1907 N N   . GLN C 1 10  ? 9.887   17.644  8.990   1.00 16.89 ? 24  GLN C N   1 
ATOM   1908 C CA  . GLN C 1 10  ? 9.641   17.677  7.551   1.00 19.77 ? 24  GLN C CA  1 
ATOM   1909 C C   . GLN C 1 10  ? 8.226   18.124  7.210   1.00 20.74 ? 24  GLN C C   1 
ATOM   1910 O O   . GLN C 1 10  ? 7.965   18.492  6.057   1.00 21.84 ? 24  GLN C O   1 
ATOM   1911 C CB  . GLN C 1 10  ? 9.926   16.300  6.941   1.00 19.22 ? 24  GLN C CB  1 
ATOM   1912 C CG  . GLN C 1 10  ? 8.893   15.216  7.280   1.00 18.60 ? 24  GLN C CG  1 
ATOM   1913 C CD  . GLN C 1 10  ? 8.999   14.677  8.702   1.00 18.39 ? 24  GLN C CD  1 
ATOM   1914 O OE1 . GLN C 1 10  ? 9.958   14.956  9.432   1.00 18.33 ? 24  GLN C OE1 1 
ATOM   1915 N NE2 . GLN C 1 10  ? 8.003   13.894  9.102   1.00 18.52 ? 24  GLN C NE2 1 
ATOM   1916 N N   . LEU C 1 11  ? 7.313   18.098  8.180   1.00 20.93 ? 25  LEU C N   1 
ATOM   1917 C CA  . LEU C 1 11  ? 5.933   18.513  7.981   1.00 22.18 ? 25  LEU C CA  1 
ATOM   1918 C C   . LEU C 1 11  ? 5.631   19.884  8.572   1.00 22.91 ? 25  LEU C C   1 
ATOM   1919 O O   . LEU C 1 11  ? 4.490   20.343  8.483   1.00 24.42 ? 25  LEU C O   1 
ATOM   1920 C CB  . LEU C 1 11  ? 4.980   17.467  8.569   1.00 22.86 ? 25  LEU C CB  1 
ATOM   1921 C CG  . LEU C 1 11  ? 5.042   16.077  7.931   1.00 25.45 ? 25  LEU C CG  1 
ATOM   1922 C CD1 . LEU C 1 11  ? 4.066   15.128  8.611   1.00 25.96 ? 25  LEU C CD1 1 
ATOM   1923 C CD2 . LEU C 1 11  ? 4.765   16.160  6.435   1.00 27.71 ? 25  LEU C CD2 1 
ATOM   1924 N N   . GLY C 1 12  ? 6.617   20.546  9.173   1.00 22.33 ? 26  GLY C N   1 
ATOM   1925 C CA  . GLY C 1 12  ? 6.436   21.885  9.693   1.00 22.56 ? 26  GLY C CA  1 
ATOM   1926 C C   . GLY C 1 12  ? 6.134   21.987  11.175  1.00 22.16 ? 26  GLY C C   1 
ATOM   1927 O O   . GLY C 1 12  ? 5.970   23.109  11.674  1.00 24.66 ? 26  GLY C O   1 
ATOM   1928 N N   . SER C 1 13  ? 6.040   20.869  11.892  1.00 20.54 ? 27  SER C N   1 
ATOM   1929 C CA  . SER C 1 13  ? 5.878   20.943  13.341  1.00 18.00 ? 27  SER C CA  1 
ATOM   1930 C C   . SER C 1 13  ? 7.080   21.650  13.960  1.00 18.55 ? 27  SER C C   1 
ATOM   1931 O O   . SER C 1 13  ? 8.192   21.602  13.430  1.00 20.43 ? 27  SER C O   1 
ATOM   1932 C CB  . SER C 1 13  ? 5.744   19.541  13.943  1.00 18.94 ? 27  SER C CB  1 
ATOM   1933 O OG  . SER C 1 13  ? 4.639   18.841  13.398  1.00 20.62 ? 27  SER C OG  1 
ATOM   1934 N N   . THR C 1 14  ? 6.851   22.324  15.085  1.00 17.70 ? 28  THR C N   1 
ATOM   1935 C CA  . THR C 1 14  ? 7.879   23.130  15.738  1.00 18.35 ? 28  THR C CA  1 
ATOM   1936 C C   . THR C 1 14  ? 8.214   22.544  17.104  1.00 17.73 ? 28  THR C C   1 
ATOM   1937 O O   . THR C 1 14  ? 7.323   22.338  17.935  1.00 18.45 ? 28  THR C O   1 
ATOM   1938 C CB  . THR C 1 14  ? 7.427   24.589  15.886  1.00 21.02 ? 28  THR C CB  1 
ATOM   1939 O OG1 . THR C 1 14  ? 7.048   25.108  14.605  1.00 21.26 ? 28  THR C OG1 1 
ATOM   1940 C CG2 . THR C 1 14  ? 8.549   25.442  16.445  1.00 22.64 ? 28  THR C CG2 1 
ATOM   1941 N N   . PHE C 1 15  ? 9.506   22.314  17.339  1.00 16.72 ? 29  PHE C N   1 
ATOM   1942 C CA  . PHE C 1 15  ? 10.028  21.611  18.509  1.00 17.38 ? 29  PHE C CA  1 
ATOM   1943 C C   . PHE C 1 15  ? 11.022  22.557  19.176  1.00 16.60 ? 29  PHE C C   1 
ATOM   1944 O O   . PHE C 1 15  ? 12.119  22.778  18.653  1.00 18.32 ? 29  PHE C O   1 
ATOM   1945 C CB  . PHE C 1 15  ? 10.672  20.304  18.019  1.00 18.68 ? 29  PHE C CB  1 
ATOM   1946 C CG  . PHE C 1 15  ? 11.530  19.576  19.023  1.00 17.65 ? 29  PHE C CG  1 
ATOM   1947 C CD1 . PHE C 1 15  ? 11.079  19.297  20.299  1.00 16.70 ? 29  PHE C CD1 1 
ATOM   1948 C CD2 . PHE C 1 15  ? 12.782  19.092  18.645  1.00 17.69 ? 29  PHE C CD2 1 
ATOM   1949 C CE1 . PHE C 1 15  ? 11.884  18.595  21.201  1.00 17.15 ? 29  PHE C CE1 1 
ATOM   1950 C CE2 . PHE C 1 15  ? 13.577  18.390  19.524  1.00 17.93 ? 29  PHE C CE2 1 
ATOM   1951 C CZ  . PHE C 1 15  ? 13.129  18.139  20.810  1.00 16.94 ? 29  PHE C CZ  1 
ATOM   1952 N N   . ILE C 1 16  ? 10.619  23.159  20.296  1.00 16.16 ? 30  ILE C N   1 
ATOM   1953 C CA  . ILE C 1 16  ? 11.429  24.143  21.010  1.00 17.24 ? 30  ILE C CA  1 
ATOM   1954 C C   . ILE C 1 16  ? 11.937  23.463  22.271  1.00 17.12 ? 30  ILE C C   1 
ATOM   1955 O O   . ILE C 1 16  ? 11.146  23.139  23.164  1.00 17.57 ? 30  ILE C O   1 
ATOM   1956 C CB  . ILE C 1 16  ? 10.621  25.402  21.355  1.00 19.42 ? 30  ILE C CB  1 
ATOM   1957 C CG1 . ILE C 1 16  ? 9.955   25.974  20.099  1.00 21.18 ? 30  ILE C CG1 1 
ATOM   1958 C CG2 . ILE C 1 16  ? 11.512  26.435  22.038  1.00 20.54 ? 30  ILE C CG2 1 
ATOM   1959 C CD1 . ILE C 1 16  ? 8.978   27.096  20.384  1.00 20.72 ? 30  ILE C CD1 1 
ATOM   1960 N N   . VAL C 1 17  ? 13.251  23.256  22.364  1.00 16.28 ? 31  VAL C N   1 
ATOM   1961 C CA  . VAL C 1 17  ? 13.811  22.378  23.386  1.00 15.38 ? 31  VAL C CA  1 
ATOM   1962 C C   . VAL C 1 17  ? 15.021  23.015  24.052  1.00 16.30 ? 31  VAL C C   1 
ATOM   1963 O O   . VAL C 1 17  ? 15.789  23.756  23.427  1.00 16.39 ? 31  VAL C O   1 
ATOM   1964 C CB  . VAL C 1 17  ? 14.149  20.982  22.803  1.00 16.74 ? 31  VAL C CB  1 
ATOM   1965 C CG1 . VAL C 1 17  ? 15.309  21.066  21.825  1.00 17.80 ? 31  VAL C CG1 1 
ATOM   1966 C CG2 . VAL C 1 17  ? 14.435  19.977  23.908  1.00 17.70 ? 31  VAL C CG2 1 
ATOM   1967 N N   . THR C 1 18  ? 15.181  22.715  25.342  1.00 16.50 ? 32  THR C N   1 
ATOM   1968 C CA  . THR C 1 18  ? 16.369  23.067  26.108  1.00 16.94 ? 32  THR C CA  1 
ATOM   1969 C C   . THR C 1 18  ? 16.984  21.791  26.666  1.00 16.72 ? 32  THR C C   1 
ATOM   1970 O O   . THR C 1 18  ? 16.284  20.973  27.277  1.00 16.39 ? 32  THR C O   1 
ATOM   1971 C CB  . THR C 1 18  ? 16.019  24.033  27.249  1.00 18.89 ? 32  THR C CB  1 
ATOM   1972 O OG1 . THR C 1 18  ? 15.496  25.249  26.700  1.00 19.97 ? 32  THR C OG1 1 
ATOM   1973 C CG2 . THR C 1 18  ? 17.254  24.355  28.094  1.00 20.00 ? 32  THR C CG2 1 
ATOM   1974 N N   . ALA C 1 19  ? 18.287  21.620  26.445  1.00 16.68 ? 33  ALA C N   1 
ATOM   1975 C CA  . ALA C 1 19  ? 19.044  20.490  26.973  1.00 17.30 ? 33  ALA C CA  1 
ATOM   1976 C C   . ALA C 1 19  ? 19.868  20.971  28.160  1.00 17.88 ? 33  ALA C C   1 
ATOM   1977 O O   . ALA C 1 19  ? 20.747  21.824  27.999  1.00 19.53 ? 33  ALA C O   1 
ATOM   1978 C CB  . ALA C 1 19  ? 19.971  19.918  25.899  1.00 18.07 ? 33  ALA C CB  1 
ATOM   1979 N N   . GLY C 1 20  ? 19.598  20.406  29.352  1.00 18.19 ? 34  GLY C N   1 
ATOM   1980 C CA  . GLY C 1 20  ? 20.311  20.801  30.549  1.00 22.26 ? 34  GLY C CA  1 
ATOM   1981 C C   . GLY C 1 20  ? 21.528  19.936  30.819  1.00 24.91 ? 34  GLY C C   1 
ATOM   1982 O O   . GLY C 1 20  ? 21.708  18.872  30.235  1.00 26.45 ? 34  GLY C O   1 
ATOM   1983 N N   . ALA C 1 21  ? 22.367  20.410  31.747  1.00 26.99 ? 35  ALA C N   1 
ATOM   1984 C CA  . ALA C 1 21  ? 23.602  19.702  32.070  1.00 29.42 ? 35  ALA C CA  1 
ATOM   1985 C C   . ALA C 1 21  ? 23.339  18.330  32.673  1.00 31.31 ? 35  ALA C C   1 
ATOM   1986 O O   . ALA C 1 21  ? 24.200  17.448  32.575  1.00 34.03 ? 35  ALA C O   1 
ATOM   1987 C CB  . ALA C 1 21  ? 24.461  20.534  33.025  1.00 31.23 ? 35  ALA C CB  1 
ATOM   1988 N N   . ASP C 1 22  ? 22.172  18.126  33.276  1.00 29.01 ? 36  ASP C N   1 
ATOM   1989 C CA  . ASP C 1 22  ? 21.847  16.861  33.917  1.00 29.28 ? 36  ASP C CA  1 
ATOM   1990 C C   . ASP C 1 22  ? 21.318  15.803  32.955  1.00 25.32 ? 36  ASP C C   1 
ATOM   1991 O O   . ASP C 1 22  ? 20.975  14.706  33.409  1.00 27.53 ? 36  ASP C O   1 
ATOM   1992 C CB  . ASP C 1 22  ? 20.839  17.088  35.047  1.00 32.69 ? 36  ASP C CB  1 
ATOM   1993 C CG  . ASP C 1 22  ? 19.576  17.782  34.575  1.00 35.72 ? 36  ASP C CG  1 
ATOM   1994 O OD1 . ASP C 1 22  ? 19.674  18.685  33.716  1.00 36.63 ? 36  ASP C OD1 1 
ATOM   1995 O OD2 . ASP C 1 22  ? 18.484  17.415  35.060  1.00 36.96 ? 36  ASP C OD2 1 
ATOM   1996 N N   . GLY C 1 23  ? 21.247  16.083  31.654  1.00 20.10 ? 37  GLY C N   1 
ATOM   1997 C CA  . GLY C 1 23  ? 20.625  15.157  30.727  1.00 15.96 ? 37  GLY C CA  1 
ATOM   1998 C C   . GLY C 1 23  ? 19.148  15.375  30.492  1.00 13.62 ? 37  GLY C C   1 
ATOM   1999 O O   . GLY C 1 23  ? 18.527  14.565  29.794  1.00 15.63 ? 37  GLY C O   1 
ATOM   2000 N N   . ALA C 1 24  ? 18.571  16.448  31.034  1.00 13.84 ? 38  ALA C N   1 
ATOM   2001 C CA  . ALA C 1 24  ? 17.147  16.716  30.884  1.00 13.69 ? 38  ALA C CA  1 
ATOM   2002 C C   . ALA C 1 24  ? 16.841  17.450  29.579  1.00 13.95 ? 38  ALA C C   1 
ATOM   2003 O O   . ALA C 1 24  ? 17.580  18.347  29.164  1.00 14.73 ? 38  ALA C O   1 
ATOM   2004 C CB  . ALA C 1 24  ? 16.661  17.567  32.057  1.00 15.80 ? 38  ALA C CB  1 
ATOM   2005 N N   . LEU C 1 25  ? 15.732  17.071  28.944  1.00 12.74 ? 39  LEU C N   1 
ATOM   2006 C CA  . LEU C 1 25  ? 15.121  17.841  27.865  1.00 13.21 ? 39  LEU C CA  1 
ATOM   2007 C C   . LEU C 1 25  ? 13.787  18.398  28.349  1.00 13.25 ? 39  LEU C C   1 
ATOM   2008 O O   . LEU C 1 25  ? 12.981  17.665  28.934  1.00 13.85 ? 39  LEU C O   1 
ATOM   2009 C CB  . LEU C 1 25  ? 14.874  16.973  26.626  1.00 12.64 ? 39  LEU C CB  1 
ATOM   2010 C CG  . LEU C 1 25  ? 16.090  16.338  25.946  1.00 12.48 ? 39  LEU C CG  1 
ATOM   2011 C CD1 . LEU C 1 25  ? 15.643  15.499  24.753  1.00 13.27 ? 39  LEU C CD1 1 
ATOM   2012 C CD2 . LEU C 1 25  ? 17.104  17.404  25.519  1.00 13.80 ? 39  LEU C CD2 1 
ATOM   2013 N N   . THR C 1 26  ? 13.568  19.693  28.121  1.00 13.50 ? 40  THR C N   1 
ATOM   2014 C CA  . THR C 1 26  ? 12.304  20.355  28.422  1.00 14.09 ? 40  THR C CA  1 
ATOM   2015 C C   . THR C 1 26  ? 11.955  21.281  27.265  1.00 14.99 ? 40  THR C C   1 
ATOM   2016 O O   . THR C 1 26  ? 12.829  21.713  26.509  1.00 16.28 ? 40  THR C O   1 
ATOM   2017 C CB  . THR C 1 26  ? 12.382  21.172  29.728  1.00 15.59 ? 40  THR C CB  1 
ATOM   2018 O OG1 . THR C 1 26  ? 13.406  22.167  29.612  1.00 17.36 ? 40  THR C OG1 1 
ATOM   2019 C CG2 . THR C 1 26  ? 12.680  20.279  30.926  1.00 15.81 ? 40  THR C CG2 1 
ATOM   2020 N N   . GLY C 1 27  ? 10.671  21.582  27.123  1.00 14.07 ? 41  GLY C N   1 
ATOM   2021 C CA  . GLY C 1 27  ? 10.278  22.540  26.093  1.00 14.50 ? 41  GLY C CA  1 
ATOM   2022 C C   . GLY C 1 27  ? 8.823   22.364  25.681  1.00 14.11 ? 41  GLY C C   1 
ATOM   2023 O O   . GLY C 1 27  ? 7.997   21.885  26.460  1.00 15.60 ? 41  GLY C O   1 
ATOM   2024 N N   . THR C 1 28  ? 8.532   22.784  24.447  1.00 14.74 ? 42  THR C N   1 
ATOM   2025 C CA  . THR C 1 28  ? 7.181   22.737  23.901  1.00 16.07 ? 42  THR C CA  1 
ATOM   2026 C C   . THR C 1 28  ? 7.208   22.187  22.484  1.00 15.68 ? 42  THR C C   1 
ATOM   2027 O O   . THR C 1 28  ? 8.203   22.320  21.762  1.00 16.38 ? 42  THR C O   1 
ATOM   2028 C CB  . THR C 1 28  ? 6.518   24.121  23.866  1.00 19.19 ? 42  THR C CB  1 
ATOM   2029 O OG1 . THR C 1 28  ? 7.269   24.993  23.014  1.00 21.23 ? 42  THR C OG1 1 
ATOM   2030 C CG2 . THR C 1 28  ? 6.434   24.716  25.262  1.00 19.94 ? 42  THR C CG2 1 
ATOM   2031 N N   . TYR C 1 29  ? 6.087   21.589  22.087  1.00 14.87 ? 43  TYR C N   1 
ATOM   2032 C CA  . TYR C 1 29  ? 5.923   21.013  20.760  1.00 16.38 ? 43  TYR C CA  1 
ATOM   2033 C C   . TYR C 1 29  ? 4.619   21.524  20.166  1.00 16.81 ? 43  TYR C C   1 
ATOM   2034 O O   . TYR C 1 29  ? 3.589   21.551  20.849  1.00 16.53 ? 43  TYR C O   1 
ATOM   2035 C CB  . TYR C 1 29  ? 5.894   19.480  20.835  1.00 15.22 ? 43  TYR C CB  1 
ATOM   2036 C CG  . TYR C 1 29  ? 6.196   18.816  19.512  1.00 14.94 ? 43  TYR C CG  1 
ATOM   2037 C CD1 . TYR C 1 29  ? 5.198   18.598  18.570  1.00 14.84 ? 43  TYR C CD1 1 
ATOM   2038 C CD2 . TYR C 1 29  ? 7.484   18.408  19.209  1.00 15.70 ? 43  TYR C CD2 1 
ATOM   2039 C CE1 . TYR C 1 29  ? 5.485   17.997  17.346  1.00 15.04 ? 43  TYR C CE1 1 
ATOM   2040 C CE2 . TYR C 1 29  ? 7.782   17.810  17.993  1.00 16.29 ? 43  TYR C CE2 1 
ATOM   2041 C CZ  . TYR C 1 29  ? 6.779   17.599  17.074  1.00 16.39 ? 43  TYR C CZ  1 
ATOM   2042 O OH  . TYR C 1 29  ? 7.079   17.001  15.867  1.00 16.88 ? 43  TYR C OH  1 
ATOM   2043 N N   . GLU C 1 30  ? 4.658   21.926  18.898  1.00 18.95 ? 44  GLU C N   1 
ATOM   2044 C CA  . GLU C 1 30  ? 3.459   22.344  18.180  1.00 20.26 ? 44  GLU C CA  1 
ATOM   2045 C C   . GLU C 1 30  ? 3.357   21.511  16.912  1.00 20.75 ? 44  GLU C C   1 
ATOM   2046 O O   . GLU C 1 30  ? 4.266   21.540  16.078  1.00 20.18 ? 44  GLU C O   1 
ATOM   2047 C CB  . GLU C 1 30  ? 3.513   23.838  17.855  1.00 22.46 ? 44  GLU C CB  1 
ATOM   2048 C CG  . GLU C 1 30  ? 2.246   24.378  17.207  1.00 24.03 ? 44  GLU C CG  1 
ATOM   2049 C CD  . GLU C 1 30  ? 2.169   25.892  17.254  0.52 25.24 ? 44  GLU C CD  1 
ATOM   2050 O OE1 . GLU C 1 30  ? 3.166   26.531  17.657  0.69 26.67 ? 44  GLU C OE1 1 
ATOM   2051 O OE2 . GLU C 1 30  ? 1.107   26.443  16.892  0.43 25.82 ? 44  GLU C OE2 1 
ATOM   2052 N N   . SER C 1 31  ? 2.256   20.774  16.766  1.00 22.37 ? 45  SER C N   1 
ATOM   2053 C CA  . SER C 1 31  ? 2.114   19.769  15.720  1.00 24.60 ? 45  SER C CA  1 
ATOM   2054 C C   . SER C 1 31  ? 1.390   20.332  14.503  1.00 27.58 ? 45  SER C C   1 
ATOM   2055 O O   . SER C 1 31  ? 0.383   21.036  14.631  1.00 28.77 ? 45  SER C O   1 
ATOM   2056 C CB  . SER C 1 31  ? 1.348   18.552  16.248  1.00 24.81 ? 45  SER C CB  1 
ATOM   2057 O OG  . SER C 1 31  ? 1.262   17.529  15.267  1.00 25.64 ? 45  SER C OG  1 
ATOM   2058 N N   . ALA C 1 32  ? 1.904   20.003  13.318  1.00 27.62 ? 46  ALA C N   1 
ATOM   2059 C CA  . ALA C 1 32  ? 1.251   20.359  12.067  1.00 28.43 ? 46  ALA C CA  1 
ATOM   2060 C C   . ALA C 1 32  ? 0.237   19.321  11.607  1.00 29.07 ? 46  ALA C C   1 
ATOM   2061 O O   . ALA C 1 32  ? -0.443  19.546  10.600  1.00 29.68 ? 46  ALA C O   1 
ATOM   2062 C CB  . ALA C 1 32  ? 2.293   20.574  10.965  1.00 28.81 ? 46  ALA C CB  1 
ATOM   2063 N N   . VAL C 1 33  ? 0.116   18.191  12.309  1.00 27.93 ? 47  VAL C N   1 
ATOM   2064 C CA  . VAL C 1 33  ? -0.817  17.137  11.933  1.00 27.28 ? 47  VAL C CA  1 
ATOM   2065 C C   . VAL C 1 33  ? -1.565  16.644  13.165  1.00 26.11 ? 47  VAL C C   1 
ATOM   2066 O O   . VAL C 1 33  ? -1.121  16.809  14.304  1.00 26.18 ? 47  VAL C O   1 
ATOM   2067 C CB  . VAL C 1 33  ? -0.124  15.950  11.224  1.00 27.85 ? 47  VAL C CB  1 
ATOM   2068 C CG1 . VAL C 1 33  ? 0.531   16.401  9.923   1.00 28.66 ? 47  VAL C CG1 1 
ATOM   2069 C CG2 . VAL C 1 33  ? 0.896   15.300  12.145  1.00 27.76 ? 47  VAL C CG2 1 
ATOM   2070 N N   . GLY C 1 34  ? -2.724  16.037  12.918  1.00 26.48 ? 48  GLY C N   1 
ATOM   2071 C CA  . GLY C 1 34  ? -3.439  15.311  13.948  1.00 27.77 ? 48  GLY C CA  1 
ATOM   2072 C C   . GLY C 1 34  ? -4.376  16.165  14.778  1.00 28.12 ? 48  GLY C C   1 
ATOM   2073 O O   . GLY C 1 34  ? -4.600  17.353  14.531  1.00 28.49 ? 48  GLY C O   1 
ATOM   2074 N N   . ASN C 1 35  ? -4.933  15.517  15.804  1.00 28.61 ? 49  ASN C N   1 
ATOM   2075 C CA  . ASN C 1 35  ? -5.891  16.143  16.718  1.00 29.36 ? 49  ASN C CA  1 
ATOM   2076 C C   . ASN C 1 35  ? -5.125  16.969  17.752  1.00 29.68 ? 49  ASN C C   1 
ATOM   2077 O O   . ASN C 1 35  ? -5.038  16.639  18.937  1.00 30.28 ? 49  ASN C O   1 
ATOM   2078 C CB  . ASN C 1 35  ? -6.764  15.078  17.370  1.00 29.78 ? 49  ASN C CB  1 
ATOM   2079 C CG  . ASN C 1 35  ? -7.877  15.669  18.221  1.00 30.06 ? 49  ASN C CG  1 
ATOM   2080 O OD1 . ASN C 1 35  ? -8.156  16.867  18.157  1.00 30.31 ? 49  ASN C OD1 1 
ATOM   2081 N ND2 . ASN C 1 35  ? -8.521  14.825  19.021  1.00 29.01 ? 49  ASN C ND2 1 
ATOM   2082 N N   . ALA C 1 36  ? -4.559  18.074  17.274  1.00 30.20 ? 50  ALA C N   1 
ATOM   2083 C CA  . ALA C 1 36  ? -3.698  18.912  18.091  1.00 29.99 ? 50  ALA C CA  1 
ATOM   2084 C C   . ALA C 1 36  ? -3.890  20.370  17.706  1.00 30.39 ? 50  ALA C C   1 
ATOM   2085 O O   . ALA C 1 36  ? -4.192  20.692  16.553  1.00 31.19 ? 50  ALA C O   1 
ATOM   2086 C CB  . ALA C 1 36  ? -2.222  18.523  17.925  1.00 30.16 ? 50  ALA C CB  1 
ATOM   2087 N N   . GLU C 1 37  ? -3.718  21.250  18.689  1.00 29.84 ? 51  GLU C N   1 
ATOM   2088 C CA  . GLU C 1 37  ? -3.788  22.686  18.461  1.00 30.45 ? 51  GLU C CA  1 
ATOM   2089 C C   . GLU C 1 37  ? -2.952  23.390  19.518  1.00 29.77 ? 51  GLU C C   1 
ATOM   2090 O O   . GLU C 1 37  ? -3.022  23.048  20.702  1.00 29.31 ? 51  GLU C O   1 
ATOM   2091 C CB  . GLU C 1 37  ? -5.235  23.188  18.513  1.00 32.95 ? 51  GLU C CB  1 
ATOM   2092 C CG  . GLU C 1 37  ? -5.391  24.692  18.408  1.00 36.02 ? 51  GLU C CG  1 
ATOM   2093 C CD  . GLU C 1 37  ? -6.827  25.133  18.605  1.00 39.10 ? 51  GLU C CD  1 
ATOM   2094 O OE1 . GLU C 1 37  ? -7.651  24.292  19.027  1.00 39.45 ? 51  GLU C OE1 1 
ATOM   2095 O OE2 . GLU C 1 37  ? -7.131  26.315  18.338  1.00 40.71 ? 51  GLU C OE2 1 
ATOM   2096 N N   . SER C 1 38  ? -2.165  24.370  19.074  1.00 29.15 ? 52  SER C N   1 
ATOM   2097 C CA  . SER C 1 38  ? -1.292  25.158  19.936  1.00 29.38 ? 52  SER C CA  1 
ATOM   2098 C C   . SER C 1 38  ? -0.156  24.308  20.498  1.00 26.63 ? 52  SER C C   1 
ATOM   2099 O O   . SER C 1 38  ? 0.189   23.260  19.937  1.00 24.71 ? 52  SER C O   1 
ATOM   2100 C CB  . SER C 1 38  ? -2.089  25.864  21.043  1.00 31.27 ? 52  SER C CB  1 
ATOM   2101 O OG  . SER C 1 38  ? -1.300  26.823  21.729  1.00 33.01 ? 52  SER C OG  1 
ATOM   2102 N N   . ARG C 1 39  ? 0.435   24.760  21.597  1.00 25.09 ? 53  ARG C N   1 
ATOM   2103 C CA  . ARG C 1 39  ? 1.641   24.156  22.138  1.00 23.28 ? 53  ARG C CA  1 
ATOM   2104 C C   . ARG C 1 39  ? 1.304   23.121  23.203  1.00 19.14 ? 53  ARG C C   1 
ATOM   2105 O O   . ARG C 1 39  ? 0.305   23.231  23.919  1.00 18.70 ? 53  ARG C O   1 
ATOM   2106 C CB  . ARG C 1 39  ? 2.546   25.232  22.743  1.00 25.41 ? 53  ARG C CB  1 
ATOM   2107 C CG  . ARG C 1 39  ? 3.130   26.194  21.720  1.00 29.39 ? 53  ARG C CG  1 
ATOM   2108 C CD  . ARG C 1 39  ? 4.036   27.226  22.371  1.00 32.45 ? 53  ARG C CD  1 
ATOM   2109 N NE  . ARG C 1 39  ? 4.817   27.956  21.379  1.00 35.22 ? 53  ARG C NE  1 
ATOM   2110 C CZ  . ARG C 1 39  ? 5.653   28.948  21.659  1.00 36.69 ? 53  ARG C CZ  1 
ATOM   2111 N NH1 . ARG C 1 39  ? 5.837   29.367  22.900  1.00 37.53 ? 53  ARG C NH1 1 
ATOM   2112 N NH2 . ARG C 1 39  ? 6.319   29.534  20.669  1.00 36.83 ? 53  ARG C NH2 1 
ATOM   2113 N N   . TYR C 1 40  ? 2.164   22.112  23.305  1.00 15.76 ? 54  TYR C N   1 
ATOM   2114 C CA  . TYR C 1 40  ? 2.052   21.071  24.313  1.00 13.87 ? 54  TYR C CA  1 
ATOM   2115 C C   . TYR C 1 40  ? 3.399   20.914  24.999  1.00 13.64 ? 54  TYR C C   1 
ATOM   2116 O O   . TYR C 1 40  ? 4.446   21.119  24.381  1.00 15.11 ? 54  TYR C O   1 
ATOM   2117 C CB  . TYR C 1 40  ? 1.680   19.731  23.668  1.00 12.86 ? 54  TYR C CB  1 
ATOM   2118 C CG  . TYR C 1 40  ? 0.318   19.732  23.022  1.00 13.83 ? 54  TYR C CG  1 
ATOM   2119 C CD1 . TYR C 1 40  ? 0.136   20.217  21.731  1.00 14.75 ? 54  TYR C CD1 1 
ATOM   2120 C CD2 . TYR C 1 40  ? -0.789  19.242  23.698  1.00 14.10 ? 54  TYR C CD2 1 
ATOM   2121 C CE1 . TYR C 1 40  ? -1.116  20.223  21.141  1.00 15.50 ? 54  TYR C CE1 1 
ATOM   2122 C CE2 . TYR C 1 40  ? -2.044  19.237  23.113  1.00 13.95 ? 54  TYR C CE2 1 
ATOM   2123 C CZ  . TYR C 1 40  ? -2.202  19.730  21.835  1.00 14.86 ? 54  TYR C CZ  1 
ATOM   2124 O OH  . TYR C 1 40  ? -3.444  19.733  21.242  1.00 16.22 ? 54  TYR C OH  1 
ATOM   2125 N N   . VAL C 1 41  ? 3.362   20.538  26.280  1.00 13.41 ? 55  VAL C N   1 
ATOM   2126 C CA  . VAL C 1 41  ? 4.582   20.314  27.047  1.00 13.10 ? 55  VAL C CA  1 
ATOM   2127 C C   . VAL C 1 41  ? 5.281   19.058  26.546  1.00 12.50 ? 55  VAL C C   1 
ATOM   2128 O O   . VAL C 1 41  ? 4.640   18.051  26.220  1.00 13.48 ? 55  VAL C O   1 
ATOM   2129 C CB  . VAL C 1 41  ? 4.237   20.179  28.541  1.00 14.18 ? 55  VAL C CB  1 
ATOM   2130 C CG1 . VAL C 1 41  ? 5.478   19.761  29.365  1.00 14.22 ? 55  VAL C CG1 1 
ATOM   2131 C CG2 . VAL C 1 41  ? 3.650   21.481  29.073  1.00 16.10 ? 55  VAL C CG2 1 
ATOM   2132 N N   . LEU C 1 42  ? 6.608   19.101  26.501  1.00 12.94 ? 56  LEU C N   1 
ATOM   2133 C CA  . LEU C 1 42  ? 7.396   17.900  26.293  1.00 14.20 ? 56  LEU C CA  1 
ATOM   2134 C C   . LEU C 1 42  ? 8.462   17.784  27.371  1.00 13.21 ? 56  LEU C C   1 
ATOM   2135 O O   . LEU C 1 42  ? 8.938   18.789  27.905  1.00 13.46 ? 56  LEU C O   1 
ATOM   2136 C CB  . LEU C 1 42  ? 8.092   17.902  24.935  1.00 14.74 ? 56  LEU C CB  1 
ATOM   2137 C CG  . LEU C 1 42  ? 9.248   18.892  24.724  1.00 15.08 ? 56  LEU C CG  1 
ATOM   2138 C CD1 . LEU C 1 42  ? 10.642  18.276  24.980  1.00 15.02 ? 56  LEU C CD1 1 
ATOM   2139 C CD2 . LEU C 1 42  ? 9.185   19.493  23.323  1.00 16.04 ? 56  LEU C CD2 1 
ATOM   2140 N N   A THR C 1 43  ? 8.802   16.542  27.716  0.79 12.18 ? 57  THR C N   1 
ATOM   2141 N N   B THR C 1 43  ? 8.843   16.546  27.666  0.21 13.05 ? 57  THR C N   1 
ATOM   2142 C CA  A THR C 1 43  ? 9.973   16.260  28.542  0.79 11.68 ? 57  THR C CA  1 
ATOM   2143 C CA  B THR C 1 43  ? 10.000  16.291  28.507  0.21 12.54 ? 57  THR C CA  1 
ATOM   2144 C C   A THR C 1 43  ? 10.679  15.023  28.004  0.79 12.40 ? 57  THR C C   1 
ATOM   2145 C C   B THR C 1 43  ? 10.677  15.011  28.041  0.21 12.42 ? 57  THR C C   1 
ATOM   2146 O O   A THR C 1 43  ? 10.057  14.150  27.389  0.79 11.49 ? 57  THR C O   1 
ATOM   2147 O O   B THR C 1 43  ? 10.033  14.105  27.503  0.21 12.02 ? 57  THR C O   1 
ATOM   2148 C CB  A THR C 1 43  ? 9.649   16.059  30.041  0.79 14.40 ? 57  THR C CB  1 
ATOM   2149 C CB  B THR C 1 43  ? 9.636   16.223  29.994  0.21 13.12 ? 57  THR C CB  1 
ATOM   2150 O OG1 A THR C 1 43  ? 8.816   14.910  30.211  0.79 14.88 ? 57  THR C OG1 1 
ATOM   2151 O OG1 B THR C 1 43  ? 10.820  15.981  30.762  0.21 12.56 ? 57  THR C OG1 1 
ATOM   2152 C CG2 A THR C 1 43  ? 8.982   17.286  30.653  0.79 14.91 ? 57  THR C CG2 1 
ATOM   2153 C CG2 B THR C 1 43  ? 8.652   15.113  30.240  0.21 13.34 ? 57  THR C CG2 1 
ATOM   2154 N N   . GLY C 1 44  ? 11.982  14.957  28.247  1.00 12.08 ? 58  GLY C N   1 
ATOM   2155 C CA  . GLY C 1 44  ? 12.769  13.841  27.766  1.00 11.86 ? 58  GLY C CA  1 
ATOM   2156 C C   . GLY C 1 44  ? 14.157  13.829  28.363  1.00 10.98 ? 58  GLY C C   1 
ATOM   2157 O O   . GLY C 1 44  ? 14.425  14.513  29.352  1.00 12.24 ? 58  GLY C O   1 
ATOM   2158 N N   . ARG C 1 45  ? 15.039  13.044  27.735  1.00 10.95 ? 59  ARG C N   1 
ATOM   2159 C CA  . ARG C 1 45  ? 16.392  12.817  28.227  1.00 10.99 ? 59  ARG C CA  1 
ATOM   2160 C C   . ARG C 1 45  ? 17.348  12.729  27.039  1.00 11.31 ? 59  ARG C C   1 
ATOM   2161 O O   . ARG C 1 45  ? 16.960  12.331  25.932  1.00 12.14 ? 59  ARG C O   1 
ATOM   2162 C CB  . ARG C 1 45  ? 16.479  11.501  29.011  1.00 12.38 ? 59  ARG C CB  1 
ATOM   2163 C CG  . ARG C 1 45  ? 15.569  11.417  30.239  1.00 12.59 ? 59  ARG C CG  1 
ATOM   2164 C CD  . ARG C 1 45  ? 16.034  12.364  31.356  1.00 13.07 ? 59  ARG C CD  1 
ATOM   2165 N NE  . ARG C 1 45  ? 17.332  11.984  31.906  1.00 12.79 ? 59  ARG C NE  1 
ATOM   2166 C CZ  . ARG C 1 45  ? 18.049  12.748  32.719  1.00 13.05 ? 59  ARG C CZ  1 
ATOM   2167 N NH1 . ARG C 1 45  ? 17.616  13.935  33.115  1.00 14.61 ? 59  ARG C NH1 1 
ATOM   2168 N NH2 . ARG C 1 45  ? 19.249  12.328  33.119  1.00 14.84 ? 59  ARG C NH2 1 
ATOM   2169 N N   . TYR C 1 46  ? 18.608  13.087  27.274  1.00 11.64 ? 60  TYR C N   1 
ATOM   2170 C CA  . TYR C 1 46  ? 19.642  12.937  26.258  1.00 11.38 ? 60  TYR C CA  1 
ATOM   2171 C C   . TYR C 1 46  ? 20.934  12.519  26.937  1.00 12.34 ? 60  TYR C C   1 
ATOM   2172 O O   . TYR C 1 46  ? 21.114  12.719  28.138  1.00 12.45 ? 60  TYR C O   1 
ATOM   2173 C CB  . TYR C 1 46  ? 19.846  14.229  25.437  1.00 12.81 ? 60  TYR C CB  1 
ATOM   2174 C CG  . TYR C 1 46  ? 20.572  15.312  26.194  1.00 14.07 ? 60  TYR C CG  1 
ATOM   2175 C CD1 . TYR C 1 46  ? 19.933  16.038  27.193  1.00 16.11 ? 60  TYR C CD1 1 
ATOM   2176 C CD2 . TYR C 1 46  ? 21.907  15.592  25.932  1.00 16.14 ? 60  TYR C CD2 1 
ATOM   2177 C CE1 . TYR C 1 46  ? 20.604  17.020  27.906  1.00 16.95 ? 60  TYR C CE1 1 
ATOM   2178 C CE2 . TYR C 1 46  ? 22.583  16.567  26.635  1.00 18.36 ? 60  TYR C CE2 1 
ATOM   2179 C CZ  . TYR C 1 46  ? 21.932  17.279  27.618  1.00 19.00 ? 60  TYR C CZ  1 
ATOM   2180 O OH  . TYR C 1 46  ? 22.622  18.253  28.307  1.00 22.74 ? 60  TYR C OH  1 
ATOM   2181 N N   . ASP C 1 47  ? 21.826  11.918  26.147  1.00 12.58 ? 61  ASP C N   1 
ATOM   2182 C CA  . ASP C 1 47  ? 23.165  11.547  26.610  1.00 12.61 ? 61  ASP C CA  1 
ATOM   2183 C C   . ASP C 1 47  ? 24.020  12.806  26.735  1.00 13.80 ? 61  ASP C C   1 
ATOM   2184 O O   . ASP C 1 47  ? 24.411  13.407  25.726  1.00 14.96 ? 61  ASP C O   1 
ATOM   2185 C CB  . ASP C 1 47  ? 23.784  10.556  25.622  1.00 13.21 ? 61  ASP C CB  1 
ATOM   2186 C CG  . ASP C 1 47  ? 25.210  10.143  25.992  1.00 13.76 ? 61  ASP C CG  1 
ATOM   2187 O OD1 . ASP C 1 47  ? 25.730  10.556  27.054  1.00 14.37 ? 61  ASP C OD1 1 
ATOM   2188 O OD2 . ASP C 1 47  ? 25.820  9.395   25.191  1.00 14.40 ? 61  ASP C OD2 1 
ATOM   2189 N N   . SER C 1 48  ? 24.340  13.197  27.969  1.00 15.13 ? 62  SER C N   1 
ATOM   2190 C CA  . SER C 1 48  ? 25.073  14.436  28.201  1.00 16.06 ? 62  SER C CA  1 
ATOM   2191 C C   . SER C 1 48  ? 26.585  14.289  28.053  1.00 17.81 ? 62  SER C C   1 
ATOM   2192 O O   . SER C 1 48  ? 27.298  15.287  28.195  1.00 19.42 ? 62  SER C O   1 
ATOM   2193 C CB  . SER C 1 48  ? 24.733  14.989  29.586  1.00 17.96 ? 62  SER C CB  1 
ATOM   2194 O OG  . SER C 1 48  ? 25.055  14.030  30.570  1.00 21.18 ? 62  SER C OG  1 
ATOM   2195 N N   . ALA C 1 49  ? 27.093  13.090  27.775  1.00 16.51 ? 63  ALA C N   1 
ATOM   2196 C CA  . ALA C 1 49  ? 28.523  12.874  27.532  1.00 16.97 ? 63  ALA C CA  1 
ATOM   2197 C C   . ALA C 1 49  ? 28.669  11.879  26.393  1.00 17.16 ? 63  ALA C C   1 
ATOM   2198 O O   . ALA C 1 49  ? 29.028  10.717  26.603  1.00 17.14 ? 63  ALA C O   1 
ATOM   2199 C CB  . ALA C 1 49  ? 29.222  12.370  28.796  1.00 16.81 ? 63  ALA C CB  1 
ATOM   2200 N N   . PRO C 1 50  ? 28.352  12.297  25.168  1.00 17.76 ? 64  PRO C N   1 
ATOM   2201 C CA  . PRO C 1 50  ? 28.395  11.369  24.033  1.00 17.02 ? 64  PRO C CA  1 
ATOM   2202 C C   . PRO C 1 50  ? 29.818  10.931  23.716  1.00 17.28 ? 64  PRO C C   1 
ATOM   2203 O O   . PRO C 1 50  ? 30.808  11.451  24.240  1.00 17.11 ? 64  PRO C O   1 
ATOM   2204 C CB  . PRO C 1 50  ? 27.787  12.175  22.879  1.00 18.95 ? 64  PRO C CB  1 
ATOM   2205 C CG  . PRO C 1 50  ? 27.990  13.603  23.258  1.00 19.55 ? 64  PRO C CG  1 
ATOM   2206 C CD  . PRO C 1 50  ? 27.938  13.653  24.769  1.00 19.32 ? 64  PRO C CD  1 
ATOM   2207 N N   . ALA C 1 51  ? 29.902  9.913   22.866  1.00 17.20 ? 65  ALA C N   1 
ATOM   2208 C CA  . ALA C 1 51  ? 31.191  9.446   22.386  1.00 18.24 ? 65  ALA C CA  1 
ATOM   2209 C C   . ALA C 1 51  ? 31.890  10.537  21.583  1.00 20.40 ? 65  ALA C C   1 
ATOM   2210 O O   . ALA C 1 51  ? 31.269  11.480  21.080  1.00 22.03 ? 65  ALA C O   1 
ATOM   2211 C CB  . ALA C 1 51  ? 31.020  8.195   21.525  1.00 17.31 ? 65  ALA C CB  1 
ATOM   2212 N N   . THR C 1 52  ? 33.208  10.397  21.478  1.00 20.05 ? 66  THR C N   1 
ATOM   2213 C CA  . THR C 1 52  ? 34.064  11.324  20.745  1.00 20.88 ? 66  THR C CA  1 
ATOM   2214 C C   . THR C 1 52  ? 34.641  10.690  19.477  1.00 21.61 ? 66  THR C C   1 
ATOM   2215 O O   . THR C 1 52  ? 35.751  11.025  19.053  1.00 22.03 ? 66  THR C O   1 
ATOM   2216 C CB  . THR C 1 52  ? 35.164  11.875  21.656  1.00 22.21 ? 66  THR C CB  1 
ATOM   2217 O OG1 . THR C 1 52  ? 35.877  10.792  22.271  1.00 22.96 ? 66  THR C OG1 1 
ATOM   2218 C CG2 . THR C 1 52  ? 34.559  12.749  22.753  1.00 24.11 ? 66  THR C CG2 1 
ATOM   2219 N N   . ASP C 1 53  ? 33.894  9.771   18.862  1.00 21.47 ? 67  ASP C N   1 
ATOM   2220 C CA  . ASP C 1 53  ? 34.341  9.047   17.678  1.00 21.27 ? 67  ASP C CA  1 
ATOM   2221 C C   . ASP C 1 53  ? 33.545  9.406   16.428  1.00 21.27 ? 67  ASP C C   1 
ATOM   2222 O O   . ASP C 1 53  ? 33.617  8.681   15.430  1.00 24.00 ? 67  ASP C O   1 
ATOM   2223 C CB  . ASP C 1 53  ? 34.285  7.534   17.925  1.00 21.64 ? 67  ASP C CB  1 
ATOM   2224 C CG  . ASP C 1 53  ? 32.872  7.038   18.216  1.00 23.77 ? 67  ASP C CG  1 
ATOM   2225 O OD1 . ASP C 1 53  ? 31.933  7.862   18.216  1.00 22.30 ? 67  ASP C OD1 1 
ATOM   2226 O OD2 . ASP C 1 53  ? 32.698  5.820   18.441  1.00 27.55 ? 67  ASP C OD2 1 
ATOM   2227 N N   . GLY C 1 54  ? 32.767  10.488  16.466  1.00 20.85 ? 68  GLY C N   1 
ATOM   2228 C CA  . GLY C 1 54  ? 31.927  10.874  15.352  1.00 20.92 ? 68  GLY C CA  1 
ATOM   2229 C C   . GLY C 1 54  ? 30.496  10.400  15.447  1.00 20.41 ? 68  GLY C C   1 
ATOM   2230 O O   . GLY C 1 54  ? 29.691  10.736  14.566  1.00 22.79 ? 68  GLY C O   1 
ATOM   2231 N N   . SER C 1 55  ? 30.159  9.623   16.473  1.00 19.34 ? 69  SER C N   1 
ATOM   2232 C CA  . SER C 1 55  ? 28.790  9.173   16.657  1.00 18.62 ? 69  SER C CA  1 
ATOM   2233 C C   . SER C 1 55  ? 27.893  10.329  17.095  1.00 17.90 ? 69  SER C C   1 
ATOM   2234 O O   . SER C 1 55  ? 28.339  11.314  17.688  1.00 18.40 ? 69  SER C O   1 
ATOM   2235 C CB  . SER C 1 55  ? 28.732  8.084   17.726  1.00 20.72 ? 69  SER C CB  1 
ATOM   2236 O OG  . SER C 1 55  ? 29.429  6.922   17.317  1.00 23.05 ? 69  SER C OG  1 
ATOM   2237 N N   . GLY C 1 56  ? 26.607  10.192  16.797  1.00 17.00 ? 70  GLY C N   1 
ATOM   2238 C CA  . GLY C 1 56  ? 25.615  11.146  17.249  1.00 15.64 ? 70  GLY C CA  1 
ATOM   2239 C C   . GLY C 1 56  ? 25.310  10.998  18.731  1.00 15.06 ? 70  GLY C C   1 
ATOM   2240 O O   . GLY C 1 56  ? 25.839  10.139  19.439  1.00 15.35 ? 70  GLY C O   1 
ATOM   2241 N N   . THR C 1 57  ? 24.399  11.854  19.196  1.00 14.11 ? 71  THR C N   1 
ATOM   2242 C CA  . THR C 1 57  ? 24.013  11.941  20.601  1.00 14.21 ? 71  THR C CA  1 
ATOM   2243 C C   . THR C 1 57  ? 22.601  11.392  20.761  1.00 13.75 ? 71  THR C C   1 
ATOM   2244 O O   . THR C 1 57  ? 21.648  11.956  20.214  1.00 13.27 ? 71  THR C O   1 
ATOM   2245 C CB  . THR C 1 57  ? 24.064  13.393  21.075  1.00 14.82 ? 71  THR C CB  1 
ATOM   2246 O OG1 . THR C 1 57  ? 25.404  13.895  20.928  1.00 15.26 ? 71  THR C OG1 1 
ATOM   2247 C CG2 . THR C 1 57  ? 23.624  13.503  22.542  1.00 16.22 ? 71  THR C CG2 1 
ATOM   2248 N N   . ALA C 1 58  ? 22.472  10.293  21.498  1.00 12.67 ? 72  ALA C N   1 
ATOM   2249 C CA  . ALA C 1 58  ? 21.169  9.658   21.671  1.00 12.30 ? 72  ALA C CA  1 
ATOM   2250 C C   . ALA C 1 58  ? 20.249  10.495  22.554  1.00 11.81 ? 72  ALA C C   1 
ATOM   2251 O O   . ALA C 1 58  ? 20.692  11.128  23.516  1.00 12.87 ? 72  ALA C O   1 
ATOM   2252 C CB  . ALA C 1 58  ? 21.344  8.267   22.273  1.00 13.11 ? 72  ALA C CB  1 
ATOM   2253 N N   . LEU C 1 59  ? 18.961  10.495  22.214  1.00 10.95 ? 73  LEU C N   1 
ATOM   2254 C CA  . LEU C 1 59  ? 17.956  11.243  22.969  1.00 10.92 ? 73  LEU C CA  1 
ATOM   2255 C C   . LEU C 1 59  ? 16.560  10.666  22.737  1.00 10.47 ? 73  LEU C C   1 
ATOM   2256 O O   . LEU C 1 59  ? 16.338  9.849   21.838  1.00 11.75 ? 73  LEU C O   1 
ATOM   2257 C CB  . LEU C 1 59  ? 17.983  12.736  22.621  1.00 13.27 ? 73  LEU C CB  1 
ATOM   2258 C CG  . LEU C 1 59  ? 17.923  13.156  21.140  1.00 18.77 ? 73  LEU C CG  1 
ATOM   2259 C CD1 . LEU C 1 59  ? 16.600  12.845  20.444  1.00 19.74 ? 73  LEU C CD1 1 
ATOM   2260 C CD2 . LEU C 1 59  ? 18.232  14.640  21.021  1.00 20.52 ? 73  LEU C CD2 1 
ATOM   2261 N N   . GLY C 1 60  ? 15.608  11.139  23.548  1.00 11.38 ? 74  GLY C N   1 
ATOM   2262 C CA  . GLY C 1 60  ? 14.199  10.861  23.338  1.00 11.05 ? 74  GLY C CA  1 
ATOM   2263 C C   . GLY C 1 60  ? 13.352  11.836  24.119  1.00 9.31  ? 74  GLY C C   1 
ATOM   2264 O O   . GLY C 1 60  ? 13.813  12.438  25.098  1.00 10.34 ? 74  GLY C O   1 
ATOM   2265 N N   . TRP C 1 61  ? 12.100  11.988  23.681  1.00 9.57  ? 75  TRP C N   1 
ATOM   2266 C CA  . TRP C 1 61  ? 11.157  12.815  24.429  1.00 10.19 ? 75  TRP C CA  1 
ATOM   2267 C C   . TRP C 1 61  ? 9.716   12.368  24.198  1.00 9.42  ? 75  TRP C C   1 
ATOM   2268 O O   . TRP C 1 61  ? 9.414   11.613  23.270  1.00 9.99  ? 75  TRP C O   1 
ATOM   2269 C CB  . TRP C 1 61  ? 11.333  14.306  24.132  1.00 10.76 ? 75  TRP C CB  1 
ATOM   2270 C CG  . TRP C 1 61  ? 10.905  14.720  22.736  1.00 10.38 ? 75  TRP C CG  1 
ATOM   2271 C CD1 . TRP C 1 61  ? 9.683   15.202  22.371  1.00 11.72 ? 75  TRP C CD1 1 
ATOM   2272 C CD2 . TRP C 1 61  ? 11.704  14.709  21.539  1.00 10.67 ? 75  TRP C CD2 1 
ATOM   2273 N NE1 . TRP C 1 61  ? 9.662   15.490  21.028  1.00 12.22 ? 75  TRP C NE1 1 
ATOM   2274 C CE2 . TRP C 1 61  ? 10.888  15.193  20.489  1.00 11.48 ? 75  TRP C CE2 1 
ATOM   2275 C CE3 . TRP C 1 61  ? 13.025  14.332  21.249  1.00 12.22 ? 75  TRP C CE3 1 
ATOM   2276 C CZ2 . TRP C 1 61  ? 11.346  15.302  19.170  1.00 12.92 ? 75  TRP C CZ2 1 
ATOM   2277 C CZ3 . TRP C 1 61  ? 13.474  14.446  19.940  1.00 13.51 ? 75  TRP C CZ3 1 
ATOM   2278 C CH2 . TRP C 1 61  ? 12.640  14.930  18.920  1.00 12.90 ? 75  TRP C CH2 1 
ATOM   2279 N N   . THR C 1 62  ? 8.823   12.850  25.074  1.00 9.73  ? 76  THR C N   1 
ATOM   2280 C CA  . THR C 1 62  ? 7.406   12.515  25.053  1.00 9.45  ? 76  THR C CA  1 
ATOM   2281 C C   . THR C 1 62  ? 6.575   13.786  25.046  1.00 10.10 ? 76  THR C C   1 
ATOM   2282 O O   . THR C 1 62  ? 6.914   14.763  25.723  1.00 11.15 ? 76  THR C O   1 
ATOM   2283 C CB  . THR C 1 62  ? 7.027   11.707  26.309  1.00 10.62 ? 76  THR C CB  1 
ATOM   2284 O OG1 . THR C 1 62  ? 7.809   10.517  26.371  1.00 10.69 ? 76  THR C OG1 1 
ATOM   2285 C CG2 . THR C 1 62  ? 5.560   11.306  26.265  1.00 10.63 ? 76  THR C CG2 1 
ATOM   2286 N N   . VAL C 1 63  ? 5.482   13.756  24.281  1.00 9.96  ? 77  VAL C N   1 
ATOM   2287 C CA  . VAL C 1 63  ? 4.385   14.720  24.368  1.00 10.07 ? 77  VAL C CA  1 
ATOM   2288 C C   . VAL C 1 63  ? 3.096   13.953  24.643  1.00 11.66 ? 77  VAL C C   1 
ATOM   2289 O O   . VAL C 1 63  ? 2.754   13.029  23.899  1.00 11.86 ? 77  VAL C O   1 
ATOM   2290 C CB  . VAL C 1 63  ? 4.238   15.528  23.066  1.00 11.29 ? 77  VAL C CB  1 
ATOM   2291 C CG1 . VAL C 1 63  ? 2.966   16.365  23.109  1.00 11.20 ? 77  VAL C CG1 1 
ATOM   2292 C CG2 . VAL C 1 63  ? 5.464   16.392  22.842  1.00 13.89 ? 77  VAL C CG2 1 
ATOM   2293 N N   . ALA C 1 64  ? 2.396   14.320  25.719  1.00 11.53 ? 78  ALA C N   1 
ATOM   2294 C CA  . ALA C 1 64  ? 1.020   13.885  25.925  1.00 12.72 ? 78  ALA C CA  1 
ATOM   2295 C C   . ALA C 1 64  ? 0.112   14.950  25.323  1.00 12.76 ? 78  ALA C C   1 
ATOM   2296 O O   . ALA C 1 64  ? 0.266   16.138  25.627  1.00 12.81 ? 78  ALA C O   1 
ATOM   2297 C CB  . ALA C 1 64  ? 0.731   13.711  27.418  1.00 12.93 ? 78  ALA C CB  1 
ATOM   2298 N N   . TRP C 1 65  ? -0.815  14.532  24.449  1.00 11.94 ? 79  TRP C N   1 
ATOM   2299 C CA  . TRP C 1 65  ? -1.582  15.472  23.632  1.00 12.28 ? 79  TRP C CA  1 
ATOM   2300 C C   . TRP C 1 65  ? -2.776  16.068  24.382  1.00 11.67 ? 79  TRP C C   1 
ATOM   2301 O O   . TRP C 1 65  ? -3.927  16.040  23.911  1.00 13.13 ? 79  TRP C O   1 
ATOM   2302 C CB  . TRP C 1 65  ? -1.987  14.822  22.305  1.00 12.31 ? 79  TRP C CB  1 
ATOM   2303 C CG  . TRP C 1 65  ? -0.786  14.426  21.489  1.00 12.19 ? 79  TRP C CG  1 
ATOM   2304 C CD1 . TRP C 1 65  ? -0.319  13.164  21.282  1.00 12.35 ? 79  TRP C CD1 1 
ATOM   2305 C CD2 . TRP C 1 65  ? 0.119   15.309  20.811  1.00 12.01 ? 79  TRP C CD2 1 
ATOM   2306 N NE1 . TRP C 1 65  ? 0.822   13.202  20.506  1.00 12.96 ? 79  TRP C NE1 1 
ATOM   2307 C CE2 . TRP C 1 65  ? 1.108   14.507  20.203  1.00 12.10 ? 79  TRP C CE2 1 
ATOM   2308 C CE3 . TRP C 1 65  ? 0.181   16.699  20.650  1.00 13.48 ? 79  TRP C CE3 1 
ATOM   2309 C CZ2 . TRP C 1 65  ? 2.147   15.048  19.433  1.00 13.12 ? 79  TRP C CZ2 1 
ATOM   2310 C CZ3 . TRP C 1 65  ? 1.215   17.236  19.893  1.00 14.16 ? 79  TRP C CZ3 1 
ATOM   2311 C CH2 . TRP C 1 65  ? 2.184   16.408  19.294  1.00 13.57 ? 79  TRP C CH2 1 
ATOM   2312 N N   . LYS C 1 66  ? -2.489  16.635  25.549  1.00 13.12 ? 80  LYS C N   1 
ATOM   2313 C CA  . LYS C 1 66  ? -3.455  17.367  26.352  1.00 14.84 ? 80  LYS C CA  1 
ATOM   2314 C C   . LYS C 1 66  ? -2.855  18.724  26.684  1.00 14.65 ? 80  LYS C C   1 
ATOM   2315 O O   . LYS C 1 66  ? -1.698  18.807  27.112  1.00 13.99 ? 80  LYS C O   1 
ATOM   2316 C CB  . LYS C 1 66  ? -3.767  16.627  27.657  1.00 14.98 ? 80  LYS C CB  1 
ATOM   2317 C CG  . LYS C 1 66  ? -4.722  17.399  28.559  1.00 16.93 ? 80  LYS C CG  1 
ATOM   2318 C CD  . LYS C 1 66  ? -4.810  16.817  29.963  1.00 20.18 ? 80  LYS C CD  1 
ATOM   2319 C CE  . LYS C 1 66  ? -5.851  17.548  30.793  1.00 22.44 ? 80  LYS C CE  1 
ATOM   2320 N NZ  . LYS C 1 66  ? -5.784  19.022  30.614  1.00 24.72 ? 80  LYS C NZ  1 
ATOM   2321 N N   . ASN C 1 67  ? -3.636  19.779  26.478  1.00 16.39 ? 81  ASN C N   1 
ATOM   2322 C CA  . ASN C 1 67  ? -3.293  21.122  26.927  1.00 18.70 ? 81  ASN C CA  1 
ATOM   2323 C C   . ASN C 1 67  ? -4.578  21.784  27.414  1.00 22.29 ? 81  ASN C C   1 
ATOM   2324 O O   . ASN C 1 67  ? -5.596  21.118  27.617  1.00 23.31 ? 81  ASN C O   1 
ATOM   2325 C CB  . ASN C 1 67  ? -2.507  21.904  25.860  1.00 17.94 ? 81  ASN C CB  1 
ATOM   2326 C CG  . ASN C 1 67  ? -3.316  22.163  24.598  1.00 18.79 ? 81  ASN C CG  1 
ATOM   2327 O OD1 . ASN C 1 67  ? -4.530  21.990  24.576  1.00 20.14 ? 81  ASN C OD1 1 
ATOM   2328 N ND2 . ASN C 1 67  ? -2.637  22.592  23.540  1.00 19.67 ? 81  ASN C ND2 1 
ATOM   2329 N N   . ASN C 1 68  ? -4.543  23.105  27.584  1.00 25.31 ? 82  ASN C N   1 
ATOM   2330 C CA  . ASN C 1 68  ? -5.722  23.808  28.083  1.00 28.54 ? 82  ASN C CA  1 
ATOM   2331 C C   . ASN C 1 68  ? -6.840  23.925  27.054  1.00 29.93 ? 82  ASN C C   1 
ATOM   2332 O O   . ASN C 1 68  ? -7.908  24.442  27.397  1.00 29.58 ? 82  ASN C O   1 
ATOM   2333 C CB  . ASN C 1 68  ? -5.351  25.200  28.602  1.00 31.48 ? 82  ASN C CB  1 
ATOM   2334 C CG  . ASN C 1 68  ? -4.438  25.150  29.814  1.00 34.18 ? 82  ASN C CG  1 
ATOM   2335 O OD1 . ASN C 1 68  ? -4.410  24.162  30.548  1.00 35.94 ? 82  ASN C OD1 1 
ATOM   2336 N ND2 . ASN C 1 68  ? -3.688  26.223  30.033  1.00 34.76 ? 82  ASN C ND2 1 
ATOM   2337 N N   . TYR C 1 69  ? -6.646  23.465  25.824  1.00 30.03 ? 83  TYR C N   1 
ATOM   2338 C CA  . TYR C 1 69  ? -7.645  23.652  24.780  1.00 30.49 ? 83  TYR C CA  1 
ATOM   2339 C C   . TYR C 1 69  ? -8.168  22.361  24.172  1.00 27.85 ? 83  TYR C C   1 
ATOM   2340 O O   . TYR C 1 69  ? -9.304  22.343  23.689  1.00 28.32 ? 83  TYR C O   1 
ATOM   2341 C CB  . TYR C 1 69  ? -7.091  24.559  23.670  1.00 33.71 ? 83  TYR C CB  1 
ATOM   2342 C CG  . TYR C 1 69  ? -6.487  25.840  24.207  1.00 37.43 ? 83  TYR C CG  1 
ATOM   2343 C CD1 . TYR C 1 69  ? -7.292  26.830  24.757  1.00 38.92 ? 83  TYR C CD1 1 
ATOM   2344 C CD2 . TYR C 1 69  ? -5.114  26.054  24.174  1.00 39.37 ? 83  TYR C CD2 1 
ATOM   2345 C CE1 . TYR C 1 69  ? -6.749  28.000  25.258  1.00 39.85 ? 83  TYR C CE1 1 
ATOM   2346 C CE2 . TYR C 1 69  ? -4.560  27.223  24.671  1.00 40.35 ? 83  TYR C CE2 1 
ATOM   2347 C CZ  . TYR C 1 69  ? -5.384  28.193  25.212  1.00 40.60 ? 83  TYR C CZ  1 
ATOM   2348 O OH  . TYR C 1 69  ? -4.844  29.358  25.709  1.00 41.25 ? 83  TYR C OH  1 
ATOM   2349 N N   . ARG C 1 70  ? -7.382  21.285  24.185  1.00 25.07 ? 84  ARG C N   1 
ATOM   2350 C CA  . ARG C 1 70  ? -7.781  20.022  23.585  1.00 23.81 ? 84  ARG C CA  1 
ATOM   2351 C C   . ARG C 1 70  ? -7.161  18.877  24.370  1.00 20.26 ? 84  ARG C C   1 
ATOM   2352 O O   . ARG C 1 70  ? -6.136  19.036  25.040  1.00 20.71 ? 84  ARG C O   1 
ATOM   2353 C CB  . ARG C 1 70  ? -7.326  19.919  22.124  1.00 26.65 ? 84  ARG C CB  1 
ATOM   2354 C CG  . ARG C 1 70  ? -8.063  20.831  21.161  1.00 30.89 ? 84  ARG C CG  1 
ATOM   2355 C CD  . ARG C 1 70  ? -7.355  20.861  19.824  1.00 35.00 ? 84  ARG C CD  1 
ATOM   2356 N NE  . ARG C 1 70  ? -7.839  19.852  18.891  1.00 38.60 ? 84  ARG C NE  1 
ATOM   2357 C CZ  . ARG C 1 70  ? -8.378  20.128  17.711  1.00 40.91 ? 84  ARG C CZ  1 
ATOM   2358 N NH1 . ARG C 1 70  ? -8.509  21.375  17.286  1.00 41.59 ? 84  ARG C NH1 1 
ATOM   2359 N NH2 . ARG C 1 70  ? -8.786  19.129  16.934  1.00 42.01 ? 84  ARG C NH2 1 
ATOM   2360 N N   . ASN C 1 71  ? -7.792  17.709  24.265  1.00 18.07 ? 85  ASN C N   1 
ATOM   2361 C CA  . ASN C 1 71  ? -7.241  16.463  24.793  1.00 16.80 ? 85  ASN C CA  1 
ATOM   2362 C C   . ASN C 1 71  ? -7.574  15.356  23.804  1.00 16.08 ? 85  ASN C C   1 
ATOM   2363 O O   . ASN C 1 71  ? -8.749  15.015  23.626  1.00 16.79 ? 85  ASN C O   1 
ATOM   2364 C CB  . ASN C 1 71  ? -7.801  16.126  26.176  1.00 15.74 ? 85  ASN C CB  1 
ATOM   2365 C CG  . ASN C 1 71  ? -7.016  15.013  26.858  1.00 14.77 ? 85  ASN C CG  1 
ATOM   2366 O OD1 . ASN C 1 71  ? -6.160  14.371  26.238  1.00 15.14 ? 85  ASN C OD1 1 
ATOM   2367 N ND2 . ASN C 1 71  ? -7.301  14.780  28.134  1.00 15.34 ? 85  ASN C ND2 1 
ATOM   2368 N N   . ALA C 1 72  ? -6.547  14.794  23.172  1.00 14.77 ? 86  ALA C N   1 
ATOM   2369 C CA  . ALA C 1 72  ? -6.726  13.707  22.222  1.00 15.12 ? 86  ALA C CA  1 
ATOM   2370 C C   . ALA C 1 72  ? -6.592  12.329  22.855  1.00 14.71 ? 86  ALA C C   1 
ATOM   2371 O O   . ALA C 1 72  ? -6.728  11.324  22.148  1.00 15.79 ? 86  ALA C O   1 
ATOM   2372 C CB  . ALA C 1 72  ? -5.740  13.848  21.054  1.00 15.06 ? 86  ALA C CB  1 
ATOM   2373 N N   . HIS C 1 73  ? -6.314  12.258  24.157  1.00 13.83 ? 87  HIS C N   1 
ATOM   2374 C CA  . HIS C 1 73  ? -6.174  10.990  24.875  1.00 12.38 ? 87  HIS C CA  1 
ATOM   2375 C C   . HIS C 1 73  ? -5.141  10.091  24.195  1.00 13.31 ? 87  HIS C C   1 
ATOM   2376 O O   . HIS C 1 73  ? -5.419  8.949   23.824  1.00 13.66 ? 87  HIS C O   1 
ATOM   2377 C CB  . HIS C 1 73  ? -7.519  10.267  25.056  1.00 13.69 ? 87  HIS C CB  1 
ATOM   2378 C CG  . HIS C 1 73  ? -8.558  11.069  25.781  1.00 14.50 ? 87  HIS C CG  1 
ATOM   2379 N ND1 . HIS C 1 73  ? -8.351  11.607  27.033  1.00 15.42 ? 87  HIS C ND1 1 
ATOM   2380 C CD2 . HIS C 1 73  ? -9.821  11.407  25.433  1.00 15.34 ? 87  HIS C CD2 1 
ATOM   2381 C CE1 . HIS C 1 73  ? -9.437  12.254  27.419  1.00 16.34 ? 87  HIS C CE1 1 
ATOM   2382 N NE2 . HIS C 1 73  ? -10.345 12.145  26.468  1.00 15.27 ? 87  HIS C NE2 1 
ATOM   2383 N N   . SER C 1 74  ? -3.928  10.634  24.044  1.00 12.59 ? 88  SER C N   1 
ATOM   2384 C CA  . SER C 1 74  ? -2.865  9.997   23.274  1.00 11.43 ? 88  SER C CA  1 
ATOM   2385 C C   . SER C 1 74  ? -1.538  10.645  23.650  1.00 11.16 ? 88  SER C C   1 
ATOM   2386 O O   . SER C 1 74  ? -1.500  11.733  24.232  1.00 12.31 ? 88  SER C O   1 
ATOM   2387 C CB  . SER C 1 74  ? -3.114  10.109  21.768  1.00 13.66 ? 88  SER C CB  1 
ATOM   2388 O OG  . SER C 1 74  ? -3.067  11.459  21.372  1.00 15.70 ? 88  SER C OG  1 
ATOM   2389 N N   . ALA C 1 75  ? -0.444  9.969   23.296  1.00 11.69 ? 89  ALA C N   1 
ATOM   2390 C CA  . ALA C 1 75  ? 0.898   10.450  23.598  1.00 10.99 ? 89  ALA C CA  1 
ATOM   2391 C C   . ALA C 1 75  ? 1.852   9.936   22.527  1.00 11.12 ? 89  ALA C C   1 
ATOM   2392 O O   . ALA C 1 75  ? 1.731   8.790   22.085  1.00 11.87 ? 89  ALA C O   1 
ATOM   2393 C CB  . ALA C 1 75  ? 1.349   9.984   24.995  1.00 13.32 ? 89  ALA C CB  1 
ATOM   2394 N N   . THR C 1 76  ? 2.814   10.775  22.137  1.00 10.80 ? 90  THR C N   1 
ATOM   2395 C CA  . THR C 1 76  ? 3.866   10.389  21.201  1.00 10.22 ? 90  THR C CA  1 
ATOM   2396 C C   . THR C 1 76  ? 5.223   10.404  21.891  1.00 10.45 ? 90  THR C C   1 
ATOM   2397 O O   . THR C 1 76  ? 5.534   11.332  22.645  1.00 10.85 ? 90  THR C O   1 
ATOM   2398 C CB  . THR C 1 76  ? 3.930   11.363  20.022  1.00 10.62 ? 90  THR C CB  1 
ATOM   2399 O OG1 . THR C 1 76  ? 2.665   11.379  19.361  1.00 11.70 ? 90  THR C OG1 1 
ATOM   2400 C CG2 . THR C 1 76  ? 5.013   10.940  19.015  1.00 11.21 ? 90  THR C CG2 1 
ATOM   2401 N N   . THR C 1 77  ? 6.030   9.376   21.633  1.00 9.85  ? 91  THR C N   1 
ATOM   2402 C CA  . THR C 1 77  ? 7.448   9.390   21.982  1.00 9.39  ? 91  THR C CA  1 
ATOM   2403 C C   . THR C 1 77  ? 8.287   9.408   20.710  1.00 10.26 ? 91  THR C C   1 
ATOM   2404 O O   . THR C 1 77  ? 7.991   8.682   19.756  1.00 11.87 ? 91  THR C O   1 
ATOM   2405 C CB  . THR C 1 77  ? 7.845   8.170   22.816  1.00 10.99 ? 91  THR C CB  1 
ATOM   2406 O OG1 . THR C 1 77  ? 7.638   6.959   22.079  1.00 11.74 ? 91  THR C OG1 1 
ATOM   2407 C CG2 . THR C 1 77  ? 7.051   8.119   24.094  1.00 11.43 ? 91  THR C CG2 1 
ATOM   2408 N N   . TRP C 1 78  ? 9.329   10.237  20.705  1.00 9.97  ? 92  TRP C N   1 
ATOM   2409 C CA  . TRP C 1 78  ? 10.327  10.259  19.644  1.00 9.29  ? 92  TRP C CA  1 
ATOM   2410 C C   . TRP C 1 78  ? 11.636  9.722   20.214  1.00 9.89  ? 92  TRP C C   1 
ATOM   2411 O O   . TRP C 1 78  ? 12.080  10.160  21.282  1.00 10.76 ? 92  TRP C O   1 
ATOM   2412 C CB  . TRP C 1 78  ? 10.574  11.693  19.167  1.00 11.19 ? 92  TRP C CB  1 
ATOM   2413 C CG  . TRP C 1 78  ? 9.489   12.365  18.380  1.00 11.32 ? 92  TRP C CG  1 
ATOM   2414 C CD1 . TRP C 1 78  ? 9.452   12.544  17.026  1.00 11.73 ? 92  TRP C CD1 1 
ATOM   2415 C CD2 . TRP C 1 78  ? 8.323   13.015  18.907  1.00 11.08 ? 92  TRP C CD2 1 
ATOM   2416 N NE1 . TRP C 1 78  ? 8.319   13.234  16.673  1.00 11.70 ? 92  TRP C NE1 1 
ATOM   2417 C CE2 . TRP C 1 78  ? 7.615   13.547  17.810  1.00 12.31 ? 92  TRP C CE2 1 
ATOM   2418 C CE3 . TRP C 1 78  ? 7.805   13.194  20.199  1.00 11.88 ? 92  TRP C CE3 1 
ATOM   2419 C CZ2 . TRP C 1 78  ? 6.415   14.239  17.966  1.00 12.78 ? 92  TRP C CZ2 1 
ATOM   2420 C CZ3 . TRP C 1 78  ? 6.618   13.886  20.350  1.00 12.83 ? 92  TRP C CZ3 1 
ATOM   2421 C CH2 . TRP C 1 78  ? 5.933   14.397  19.243  1.00 13.10 ? 92  TRP C CH2 1 
ATOM   2422 N N   . SER C 1 79  ? 12.259  8.788   19.498  1.00 11.06 ? 93  SER C N   1 
ATOM   2423 C CA  . SER C 1 79  ? 13.549  8.211   19.864  1.00 10.95 ? 93  SER C CA  1 
ATOM   2424 C C   . SER C 1 79  ? 14.525  8.447   18.718  1.00 11.45 ? 93  SER C C   1 
ATOM   2425 O O   . SER C 1 79  ? 14.199  8.159   17.567  1.00 11.96 ? 93  SER C O   1 
ATOM   2426 C CB  . SER C 1 79  ? 13.396  6.702   20.072  1.00 12.21 ? 93  SER C CB  1 
ATOM   2427 O OG  . SER C 1 79  ? 14.621  6.096   20.456  1.00 13.48 ? 93  SER C OG  1 
ATOM   2428 N N   . GLY C 1 80  ? 15.716  8.952   19.010  1.00 10.93 ? 94  GLY C N   1 
ATOM   2429 C CA  . GLY C 1 80  ? 16.631  9.231   17.915  1.00 11.62 ? 94  GLY C CA  1 
ATOM   2430 C C   . GLY C 1 80  ? 17.985  9.730   18.366  1.00 11.52 ? 94  GLY C C   1 
ATOM   2431 O O   . GLY C 1 80  ? 18.435  9.456   19.479  1.00 12.12 ? 94  GLY C O   1 
ATOM   2432 N N   . GLN C 1 81  ? 18.656  10.435  17.457  1.00 13.02 ? 95  GLN C N   1 
ATOM   2433 C CA  . GLN C 1 81  ? 19.988  10.936  17.755  1.00 13.94 ? 95  GLN C CA  1 
ATOM   2434 C C   . GLN C 1 81  ? 20.208  12.289  17.098  1.00 13.62 ? 95  GLN C C   1 
ATOM   2435 O O   . GLN C 1 81  ? 19.699  12.555  16.003  1.00 14.48 ? 95  GLN C O   1 
ATOM   2436 C CB  . GLN C 1 81  ? 21.106  9.944   17.389  1.00 16.45 ? 95  GLN C CB  1 
ATOM   2437 C CG  . GLN C 1 81  ? 21.210  9.552   15.927  1.00 17.46 ? 95  GLN C CG  1 
ATOM   2438 C CD  . GLN C 1 81  ? 22.360  8.580   15.685  1.00 16.49 ? 95  GLN C CD  1 
ATOM   2439 O OE1 . GLN C 1 81  ? 23.467  8.770   16.192  1.00 16.24 ? 95  GLN C OE1 1 
ATOM   2440 N NE2 . GLN C 1 81  ? 22.098  7.525   14.929  1.00 17.48 ? 95  GLN C NE2 1 
ATOM   2441 N N   . TYR C 1 82  ? 20.949  13.143  17.796  1.00 14.87 ? 96  TYR C N   1 
ATOM   2442 C CA  . TYR C 1 82  ? 21.364  14.436  17.278  1.00 15.57 ? 96  TYR C CA  1 
ATOM   2443 C C   . TYR C 1 82  ? 22.688  14.263  16.552  1.00 17.01 ? 96  TYR C C   1 
ATOM   2444 O O   . TYR C 1 82  ? 23.626  13.663  17.089  1.00 16.58 ? 96  TYR C O   1 
ATOM   2445 C CB  . TYR C 1 82  ? 21.522  15.413  18.448  1.00 16.00 ? 96  TYR C CB  1 
ATOM   2446 C CG  . TYR C 1 82  ? 22.335  16.663  18.176  1.00 17.75 ? 96  TYR C CG  1 
ATOM   2447 C CD1 . TYR C 1 82  ? 21.738  17.809  17.669  1.00 18.70 ? 96  TYR C CD1 1 
ATOM   2448 C CD2 . TYR C 1 82  ? 23.696  16.711  18.470  1.00 19.20 ? 96  TYR C CD2 1 
ATOM   2449 C CE1 . TYR C 1 82  ? 22.473  18.958  17.438  1.00 19.70 ? 96  TYR C CE1 1 
ATOM   2450 C CE2 . TYR C 1 82  ? 24.441  17.857  18.240  1.00 20.95 ? 96  TYR C CE2 1 
ATOM   2451 C CZ  . TYR C 1 82  ? 23.824  18.978  17.724  1.00 21.70 ? 96  TYR C CZ  1 
ATOM   2452 O OH  . TYR C 1 82  ? 24.553  20.123  17.494  1.00 23.61 ? 96  TYR C OH  1 
ATOM   2453 N N   . VAL C 1 83  ? 22.753  14.771  15.326  1.00 18.27 ? 97  VAL C N   1 
ATOM   2454 C CA  . VAL C 1 83  ? 23.958  14.739  14.509  1.00 23.22 ? 97  VAL C CA  1 
ATOM   2455 C C   . VAL C 1 83  ? 24.382  16.182  14.299  1.00 24.95 ? 97  VAL C C   1 
ATOM   2456 O O   . VAL C 1 83  ? 23.634  16.974  13.710  1.00 24.84 ? 97  VAL C O   1 
ATOM   2457 C CB  . VAL C 1 83  ? 23.706  14.040  13.165  1.00 25.44 ? 97  VAL C CB  1 
ATOM   2458 C CG1 . VAL C 1 83  ? 24.988  13.998  12.333  1.00 26.42 ? 97  VAL C CG1 1 
ATOM   2459 C CG2 . VAL C 1 83  ? 23.156  12.643  13.396  1.00 27.06 ? 97  VAL C CG2 1 
ATOM   2460 N N   . GLY C 1 84  ? 25.564  16.530  14.801  1.00 27.47 ? 98  GLY C N   1 
ATOM   2461 C CA  . GLY C 1 84  ? 26.075  17.869  14.622  1.00 31.23 ? 98  GLY C CA  1 
ATOM   2462 C C   . GLY C 1 84  ? 26.651  18.085  13.237  1.00 34.01 ? 98  GLY C C   1 
ATOM   2463 O O   . GLY C 1 84  ? 26.777  17.166  12.426  1.00 34.35 ? 98  GLY C O   1 
ATOM   2464 N N   . GLY C 1 85  ? 27.003  19.330  12.965  1.00 36.74 ? 99  GLY C N   1 
ATOM   2465 C CA  . GLY C 1 85  ? 27.615  19.699  11.710  1.00 38.39 ? 99  GLY C CA  1 
ATOM   2466 C C   . GLY C 1 85  ? 27.106  21.044  11.253  1.00 39.54 ? 99  GLY C C   1 
ATOM   2467 O O   . GLY C 1 85  ? 26.416  21.751  11.988  1.00 39.65 ? 99  GLY C O   1 
ATOM   2468 N N   . ALA C 1 86  ? 27.467  21.401  10.016  1.00 40.42 ? 100 ALA C N   1 
ATOM   2469 C CA  . ALA C 1 86  ? 27.002  22.656  9.435   1.00 41.46 ? 100 ALA C CA  1 
ATOM   2470 C C   . ALA C 1 86  ? 25.482  22.739  9.464   1.00 41.64 ? 100 ALA C C   1 
ATOM   2471 O O   . ALA C 1 86  ? 24.909  23.754  9.878   1.00 43.26 ? 100 ALA C O   1 
ATOM   2472 C CB  . ALA C 1 86  ? 27.526  22.797  8.005   1.00 41.71 ? 100 ALA C CB  1 
ATOM   2473 N N   . GLU C 1 87  ? 24.811  21.673  9.035   1.00 39.37 ? 101 GLU C N   1 
ATOM   2474 C CA  . GLU C 1 87  ? 23.363  21.548  9.167   1.00 36.85 ? 101 GLU C CA  1 
ATOM   2475 C C   . GLU C 1 87  ? 23.097  20.523  10.263  1.00 32.21 ? 101 GLU C C   1 
ATOM   2476 O O   . GLU C 1 87  ? 23.097  19.315  10.009  1.00 31.66 ? 101 GLU C O   1 
ATOM   2477 C CB  . GLU C 1 87  ? 22.712  21.126  7.854   1.00 38.58 ? 101 GLU C CB  1 
ATOM   2478 C CG  . GLU C 1 87  ? 21.197  20.991  7.956   1.00 39.80 ? 101 GLU C CG  1 
ATOM   2479 C CD  . GLU C 1 87  ? 20.546  20.604  6.644   1.00 40.94 ? 101 GLU C CD  1 
ATOM   2480 O OE1 . GLU C 1 87  ? 21.240  20.035  5.774   1.00 41.48 ? 101 GLU C OE1 1 
ATOM   2481 O OE2 . GLU C 1 87  ? 19.337  20.873  6.482   1.00 41.61 ? 101 GLU C OE2 1 
ATOM   2482 N N   . ALA C 1 88  ? 22.886  21.008  11.483  1.00 28.65 ? 102 ALA C N   1 
ATOM   2483 C CA  . ALA C 1 88  ? 22.523  20.116  12.572  1.00 25.85 ? 102 ALA C CA  1 
ATOM   2484 C C   . ALA C 1 88  ? 21.205  19.421  12.253  1.00 22.40 ? 102 ALA C C   1 
ATOM   2485 O O   . ALA C 1 88  ? 20.320  19.984  11.602  1.00 23.02 ? 102 ALA C O   1 
ATOM   2486 C CB  . ALA C 1 88  ? 22.395  20.898  13.880  1.00 27.58 ? 102 ALA C CB  1 
ATOM   2487 N N   . ARG C 1 89  ? 21.080  18.176  12.707  1.00 20.06 ? 103 ARG C N   1 
ATOM   2488 C CA  . ARG C 1 89  ? 19.901  17.379  12.402  1.00 19.03 ? 103 ARG C CA  1 
ATOM   2489 C C   . ARG C 1 89  ? 19.593  16.461  13.577  1.00 16.90 ? 103 ARG C C   1 
ATOM   2490 O O   . ARG C 1 89  ? 20.508  15.955  14.233  1.00 17.44 ? 103 ARG C O   1 
ATOM   2491 C CB  . ARG C 1 89  ? 20.148  16.553  11.132  1.00 20.35 ? 103 ARG C CB  1 
ATOM   2492 C CG  . ARG C 1 89  ? 18.941  15.821  10.594  0.83 21.04 ? 103 ARG C CG  1 
ATOM   2493 C CD  . ARG C 1 89  ? 19.199  15.284  9.182   0.75 22.21 ? 103 ARG C CD  1 
ATOM   2494 N NE  . ARG C 1 89  ? 19.474  16.341  8.216   0.74 22.80 ? 103 ARG C NE  1 
ATOM   2495 C CZ  . ARG C 1 89  ? 18.583  16.845  7.373   1.00 24.00 ? 103 ARG C CZ  1 
ATOM   2496 N NH1 . ARG C 1 89  ? 17.331  16.425  7.358   0.68 24.89 ? 103 ARG C NH1 1 
ATOM   2497 N NH2 . ARG C 1 89  ? 18.960  17.790  6.517   0.54 24.38 ? 103 ARG C NH2 1 
ATOM   2498 N N   . ILE C 1 90  ? 18.306  16.265  13.852  1.00 15.20 ? 104 ILE C N   1 
ATOM   2499 C CA  . ILE C 1 90  ? 17.855  15.237  14.788  1.00 14.87 ? 104 ILE C CA  1 
ATOM   2500 C C   . ILE C 1 90  ? 16.997  14.261  13.996  1.00 14.18 ? 104 ILE C C   1 
ATOM   2501 O O   . ILE C 1 90  ? 15.936  14.637  13.480  1.00 14.79 ? 104 ILE C O   1 
ATOM   2502 C CB  . ILE C 1 90  ? 17.074  15.808  15.989  1.00 15.31 ? 104 ILE C CB  1 
ATOM   2503 C CG1 . ILE C 1 90  ? 17.930  16.798  16.789  1.00 16.54 ? 104 ILE C CG1 1 
ATOM   2504 C CG2 . ILE C 1 90  ? 16.598  14.673  16.911  1.00 14.72 ? 104 ILE C CG2 1 
ATOM   2505 C CD1 . ILE C 1 90  ? 17.181  17.495  17.926  1.00 17.60 ? 104 ILE C CD1 1 
ATOM   2506 N N   . ASN C 1 91  ? 17.453  13.016  13.900  1.00 14.15 ? 105 ASN C N   1 
ATOM   2507 C CA  . ASN C 1 91  ? 16.752  11.971  13.166  1.00 15.12 ? 105 ASN C CA  1 
ATOM   2508 C C   . ASN C 1 91  ? 16.054  11.059  14.156  1.00 13.12 ? 105 ASN C C   1 
ATOM   2509 O O   . ASN C 1 91  ? 16.688  10.554  15.088  1.00 13.20 ? 105 ASN C O   1 
ATOM   2510 C CB  . ASN C 1 91  ? 17.738  11.149  12.341  1.00 16.45 ? 105 ASN C CB  1 
ATOM   2511 C CG  . ASN C 1 91  ? 18.370  11.954  11.247  1.00 19.29 ? 105 ASN C CG  1 
ATOM   2512 O OD1 . ASN C 1 91  ? 17.702  12.744  10.583  1.00 19.62 ? 105 ASN C OD1 1 
ATOM   2513 N ND2 . ASN C 1 91  ? 19.668  11.779  11.061  1.00 21.24 ? 105 ASN C ND2 1 
ATOM   2514 N N   . THR C 1 92  ? 14.758  10.843  13.952  1.00 11.72 ? 106 THR C N   1 
ATOM   2515 C CA  . THR C 1 92  ? 13.963  10.134  14.949  1.00 11.62 ? 106 THR C CA  1 
ATOM   2516 C C   . THR C 1 92  ? 13.041  9.113   14.305  1.00 12.08 ? 106 THR C C   1 
ATOM   2517 O O   . THR C 1 92  ? 12.674  9.209   13.131  1.00 12.32 ? 106 THR C O   1 
ATOM   2518 C CB  . THR C 1 92  ? 13.075  11.065  15.796  1.00 12.88 ? 106 THR C CB  1 
ATOM   2519 O OG1 . THR C 1 92  ? 12.015  11.579  14.985  1.00 13.12 ? 106 THR C OG1 1 
ATOM   2520 C CG2 . THR C 1 92  ? 13.867  12.210  16.396  1.00 14.67 ? 106 THR C CG2 1 
ATOM   2521 N N   . GLN C 1 93  ? 12.654  8.138   15.116  1.00 11.98 ? 107 GLN C N   1 
ATOM   2522 C CA  . GLN C 1 93  ? 11.473  7.326   14.881  1.00 12.41 ? 107 GLN C CA  1 
ATOM   2523 C C   . GLN C 1 93  ? 10.532  7.532   16.059  1.00 11.25 ? 107 GLN C C   1 
ATOM   2524 O O   . GLN C 1 93  ? 10.978  7.829   17.177  1.00 11.69 ? 107 GLN C O   1 
ATOM   2525 C CB  . GLN C 1 93  ? 11.846  5.859   14.680  1.00 14.87 ? 107 GLN C CB  1 
ATOM   2526 C CG  . GLN C 1 93  ? 12.641  5.711   13.376  1.00 18.29 ? 107 GLN C CG  1 
ATOM   2527 C CD  . GLN C 1 93  ? 13.035  4.293   13.019  1.00 20.10 ? 107 GLN C CD  1 
ATOM   2528 O OE1 . GLN C 1 93  ? 12.294  3.586   12.342  1.00 21.60 ? 107 GLN C OE1 1 
ATOM   2529 N NE2 . GLN C 1 93  ? 14.239  3.888   13.430  1.00 18.66 ? 107 GLN C NE2 1 
ATOM   2530 N N   . TRP C 1 94  ? 9.222   7.440   15.805  1.00 10.61 ? 108 TRP C N   1 
ATOM   2531 C CA  . TRP C 1 94  ? 8.237   7.775   16.825  1.00 9.93  ? 108 TRP C CA  1 
ATOM   2532 C C   . TRP C 1 94  ? 7.140   6.727   16.929  1.00 9.26  ? 108 TRP C C   1 
ATOM   2533 O O   . TRP C 1 94  ? 6.846   6.002   15.973  1.00 10.41 ? 108 TRP C O   1 
ATOM   2534 C CB  . TRP C 1 94  ? 7.645   9.183   16.635  1.00 11.38 ? 108 TRP C CB  1 
ATOM   2535 C CG  . TRP C 1 94  ? 7.043   9.479   15.283  1.00 10.90 ? 108 TRP C CG  1 
ATOM   2536 C CD1 . TRP C 1 94  ? 7.627   10.191  14.267  1.00 11.17 ? 108 TRP C CD1 1 
ATOM   2537 C CD2 . TRP C 1 94  ? 5.745   9.093   14.804  1.00 10.70 ? 108 TRP C CD2 1 
ATOM   2538 N NE1 . TRP C 1 94  ? 6.773   10.263  13.189  1.00 12.04 ? 108 TRP C NE1 1 
ATOM   2539 C CE2 . TRP C 1 94  ? 5.614   9.598   13.493  1.00 11.01 ? 108 TRP C CE2 1 
ATOM   2540 C CE3 . TRP C 1 94  ? 4.692   8.355   15.347  1.00 11.32 ? 108 TRP C CE3 1 
ATOM   2541 C CZ2 . TRP C 1 94  ? 4.464   9.392   12.722  1.00 11.79 ? 108 TRP C CZ2 1 
ATOM   2542 C CZ3 . TRP C 1 94  ? 3.553   8.162   14.594  1.00 11.37 ? 108 TRP C CZ3 1 
ATOM   2543 C CH2 . TRP C 1 94  ? 3.444   8.678   13.293  1.00 11.90 ? 108 TRP C CH2 1 
ATOM   2544 N N   . LEU C 1 95  ? 6.535   6.675   18.120  1.00 9.65  ? 109 LEU C N   1 
ATOM   2545 C CA  . LEU C 1 95  ? 5.372   5.847   18.426  1.00 9.11  ? 109 LEU C CA  1 
ATOM   2546 C C   . LEU C 1 95  ? 4.285   6.727   19.023  1.00 9.60  ? 109 LEU C C   1 
ATOM   2547 O O   . LEU C 1 95  ? 4.537   7.463   19.982  1.00 11.53 ? 109 LEU C O   1 
ATOM   2548 C CB  . LEU C 1 95  ? 5.727   4.756   19.447  1.00 9.97  ? 109 LEU C CB  1 
ATOM   2549 C CG  . LEU C 1 95  ? 6.795   3.731   19.064  1.00 12.03 ? 109 LEU C CG  1 
ATOM   2550 C CD1 . LEU C 1 95  ? 7.144   2.863   20.260  1.00 12.58 ? 109 LEU C CD1 1 
ATOM   2551 C CD2 . LEU C 1 95  ? 6.297   2.886   17.892  1.00 12.75 ? 109 LEU C CD2 1 
ATOM   2552 N N   . LEU C 1 96  ? 3.083   6.651   18.461  1.00 9.66  ? 110 LEU C N   1 
ATOM   2553 C CA  . LEU C 1 96  ? 1.938   7.430   18.931  1.00 9.86  ? 110 LEU C CA  1 
ATOM   2554 C C   . LEU C 1 96  ? 0.858   6.472   19.426  1.00 10.06 ? 110 LEU C C   1 
ATOM   2555 O O   . LEU C 1 96  ? 0.188   5.818   18.617  1.00 10.52 ? 110 LEU C O   1 
ATOM   2556 C CB  . LEU C 1 96  ? 1.428   8.325   17.797  1.00 12.17 ? 110 LEU C CB  1 
ATOM   2557 C CG  . LEU C 1 96  ? 0.044   8.959   17.889  1.00 12.85 ? 110 LEU C CG  1 
ATOM   2558 C CD1 . LEU C 1 96  ? -0.174  9.723   19.187  1.00 13.68 ? 110 LEU C CD1 1 
ATOM   2559 C CD2 . LEU C 1 96  ? -0.205  9.866   16.682  1.00 14.90 ? 110 LEU C CD2 1 
ATOM   2560 N N   . THR C 1 97  ? 0.702   6.379   20.749  1.00 10.12 ? 111 THR C N   1 
ATOM   2561 C CA  . THR C 1 97  ? -0.269  5.475   21.359  1.00 11.02 ? 111 THR C CA  1 
ATOM   2562 C C   . THR C 1 97  ? -1.490  6.259   21.829  1.00 10.52 ? 111 THR C C   1 
ATOM   2563 O O   . THR C 1 97  ? -1.363  7.250   22.562  1.00 11.68 ? 111 THR C O   1 
ATOM   2564 C CB  . THR C 1 97  ? 0.334   4.716   22.549  1.00 11.45 ? 111 THR C CB  1 
ATOM   2565 O OG1 . THR C 1 97  ? 1.504   3.999   22.127  1.00 12.50 ? 111 THR C OG1 1 
ATOM   2566 C CG2 . THR C 1 97  ? -0.681  3.724   23.129  1.00 12.12 ? 111 THR C CG2 1 
ATOM   2567 N N   . SER C 1 98  ? -2.670  5.817   21.404  1.00 11.15 ? 112 SER C N   1 
ATOM   2568 C CA  . SER C 1 98  ? -3.936  6.340   21.898  1.00 12.46 ? 112 SER C CA  1 
ATOM   2569 C C   . SER C 1 98  ? -4.477  5.444   23.011  1.00 13.42 ? 112 SER C C   1 
ATOM   2570 O O   . SER C 1 98  ? -4.316  4.222   22.977  1.00 15.46 ? 112 SER C O   1 
ATOM   2571 C CB  . SER C 1 98  ? -4.956  6.384   20.762  1.00 14.68 ? 112 SER C CB  1 
ATOM   2572 O OG  . SER C 1 98  ? -4.580  7.327   19.783  1.00 16.41 ? 112 SER C OG  1 
ATOM   2573 N N   . GLY C 1 99  ? -5.147  6.054   23.997  1.00 14.08 ? 113 GLY C N   1 
ATOM   2574 C CA  . GLY C 1 99  ? -5.895  5.255   24.951  1.00 14.69 ? 113 GLY C CA  1 
ATOM   2575 C C   . GLY C 1 99  ? -7.027  4.516   24.256  1.00 14.94 ? 113 GLY C C   1 
ATOM   2576 O O   . GLY C 1 99  ? -7.778  5.116   23.478  1.00 18.21 ? 113 GLY C O   1 
ATOM   2577 N N   . THR C 1 100 ? -7.130  3.203   24.473  1.00 15.07 ? 114 THR C N   1 
ATOM   2578 C CA  . THR C 1 100 ? -8.152  2.386   23.824  1.00 15.56 ? 114 THR C CA  1 
ATOM   2579 C C   . THR C 1 100 ? -8.724  1.419   24.848  1.00 14.50 ? 114 THR C C   1 
ATOM   2580 O O   . THR C 1 100 ? -8.144  1.198   25.915  1.00 14.98 ? 114 THR C O   1 
ATOM   2581 C CB  . THR C 1 100 ? -7.573  1.546   22.664  1.00 16.18 ? 114 THR C CB  1 
ATOM   2582 O OG1 . THR C 1 100 ? -6.669  0.564   23.186  1.00 15.84 ? 114 THR C OG1 1 
ATOM   2583 C CG2 . THR C 1 100 ? -6.866  2.418   21.624  1.00 16.66 ? 114 THR C CG2 1 
ATOM   2584 N N   . THR C 1 101 ? -9.874  0.838   24.513  1.00 16.19 ? 115 THR C N   1 
ATOM   2585 C CA  . THR C 1 101 ? -10.303 -0.349  25.227  1.00 16.93 ? 115 THR C CA  1 
ATOM   2586 C C   . THR C 1 101 ? -9.381  -1.512  24.876  1.00 18.48 ? 115 THR C C   1 
ATOM   2587 O O   . THR C 1 101 ? -8.600  -1.460  23.917  1.00 17.17 ? 115 THR C O   1 
ATOM   2588 C CB  . THR C 1 101 ? -11.716 -0.735  24.811  1.00 19.61 ? 115 THR C CB  1 
ATOM   2589 O OG1 . THR C 1 101 ? -11.711 -1.050  23.413  1.00 21.05 ? 115 THR C OG1 1 
ATOM   2590 C CG2 . THR C 1 101 ? -12.678 0.409   25.083  1.00 20.16 ? 115 THR C CG2 1 
ATOM   2591 N N   . GLU C 1 102 ? -9.481  -2.585  25.663  1.00 20.00 ? 116 GLU C N   1 
ATOM   2592 C CA  . GLU C 1 102 ? -8.656  -3.758  25.390  1.00 22.35 ? 116 GLU C CA  1 
ATOM   2593 C C   . GLU C 1 102 ? -8.995  -4.362  24.033  1.00 21.45 ? 116 GLU C C   1 
ATOM   2594 O O   . GLU C 1 102 ? -8.102  -4.808  23.303  1.00 23.08 ? 116 GLU C O   1 
ATOM   2595 C CB  . GLU C 1 102 ? -8.803  -4.787  26.514  1.00 24.76 ? 116 GLU C CB  1 
ATOM   2596 C CG  . GLU C 1 102 ? -8.312  -4.304  27.880  0.52 25.51 ? 116 GLU C CG  1 
ATOM   2597 C CD  . GLU C 1 102 ? -6.792  -4.299  28.018  0.55 26.82 ? 116 GLU C CD  1 
ATOM   2598 O OE1 . GLU C 1 102 ? -6.085  -4.005  27.031  0.21 27.08 ? 116 GLU C OE1 1 
ATOM   2599 O OE2 . GLU C 1 102 ? -6.301  -4.596  29.125  0.35 27.27 ? 116 GLU C OE2 1 
ATOM   2600 N N   . ALA C 1 103 ? -10.278 -4.353  23.661  1.00 21.29 ? 117 ALA C N   1 
ATOM   2601 C CA  . ALA C 1 103 ? -10.675 -4.915  22.374  1.00 22.36 ? 117 ALA C CA  1 
ATOM   2602 C C   . ALA C 1 103 ? -10.046 -4.160  21.207  1.00 20.69 ? 117 ALA C C   1 
ATOM   2603 O O   . ALA C 1 103 ? -9.811  -4.747  20.144  1.00 22.48 ? 117 ALA C O   1 
ATOM   2604 C CB  . ALA C 1 103 ? -12.199 -4.937  22.254  1.00 23.56 ? 117 ALA C CB  1 
ATOM   2605 N N   . ASN C 1 104 ? -9.761  -2.870  21.383  1.00 18.76 ? 118 ASN C N   1 
ATOM   2606 C CA  . ASN C 1 104 ? -9.172  -2.045  20.334  1.00 18.85 ? 118 ASN C CA  1 
ATOM   2607 C C   . ASN C 1 104 ? -7.669  -1.822  20.502  1.00 17.79 ? 118 ASN C C   1 
ATOM   2608 O O   . ASN C 1 104 ? -7.086  -1.036  19.748  1.00 17.24 ? 118 ASN C O   1 
ATOM   2609 C CB  . ASN C 1 104 ? -9.890  -0.695  20.255  1.00 19.55 ? 118 ASN C CB  1 
ATOM   2610 C CG  . ASN C 1 104 ? -11.333 -0.822  19.810  1.00 21.34 ? 118 ASN C CG  1 
ATOM   2611 O OD1 . ASN C 1 104 ? -11.669 -1.652  18.960  1.00 23.44 ? 118 ASN C OD1 1 
ATOM   2612 N ND2 . ASN C 1 104 ? -12.196 0.004   20.386  1.00 22.01 ? 118 ASN C ND2 1 
ATOM   2613 N N   . ALA C 1 105 ? -7.025  -2.498  21.457  1.00 16.52 ? 119 ALA C N   1 
ATOM   2614 C CA  . ALA C 1 105 ? -5.620  -2.214  21.735  1.00 15.44 ? 119 ALA C CA  1 
ATOM   2615 C C   . ALA C 1 105 ? -4.722  -2.563  20.554  1.00 15.57 ? 119 ALA C C   1 
ATOM   2616 O O   . ALA C 1 105 ? -3.645  -1.970  20.395  1.00 15.47 ? 119 ALA C O   1 
ATOM   2617 C CB  . ALA C 1 105 ? -5.166  -2.949  22.999  1.00 17.77 ? 119 ALA C CB  1 
ATOM   2618 N N   . TRP C 1 106 ? -5.146  -3.514  19.714  1.00 16.39 ? 120 TRP C N   1 
ATOM   2619 C CA  . TRP C 1 106 ? -4.331  -3.912  18.569  1.00 17.14 ? 120 TRP C CA  1 
ATOM   2620 C C   . TRP C 1 106 ? -4.083  -2.750  17.621  1.00 16.61 ? 120 TRP C C   1 
ATOM   2621 O O   . TRP C 1 106 ? -3.065  -2.733  16.919  1.00 18.03 ? 120 TRP C O   1 
ATOM   2622 C CB  . TRP C 1 106 ? -4.990  -5.075  17.828  1.00 19.97 ? 120 TRP C CB  1 
ATOM   2623 C CG  . TRP C 1 106 ? -6.268  -4.712  17.137  1.00 20.75 ? 120 TRP C CG  1 
ATOM   2624 C CD1 . TRP C 1 106 ? -7.521  -4.734  17.676  1.00 20.32 ? 120 TRP C CD1 1 
ATOM   2625 C CD2 . TRP C 1 106 ? -6.425  -4.278  15.776  1.00 20.09 ? 120 TRP C CD2 1 
ATOM   2626 N NE1 . TRP C 1 106 ? -8.448  -4.342  16.738  1.00 19.11 ? 120 TRP C NE1 1 
ATOM   2627 C CE2 . TRP C 1 106 ? -7.802  -4.055  15.565  1.00 19.96 ? 120 TRP C CE2 1 
ATOM   2628 C CE3 . TRP C 1 106 ? -5.537  -4.052  14.719  1.00 21.08 ? 120 TRP C CE3 1 
ATOM   2629 C CZ2 . TRP C 1 106 ? -8.314  -3.619  14.343  1.00 20.79 ? 120 TRP C CZ2 1 
ATOM   2630 C CZ3 . TRP C 1 106 ? -6.047  -3.622  13.501  1.00 19.92 ? 120 TRP C CZ3 1 
ATOM   2631 C CH2 . TRP C 1 106 ? -7.424  -3.410  13.324  1.00 20.62 ? 120 TRP C CH2 1 
ATOM   2632 N N   . LYS C 1 107 ? -4.981  -1.765  17.592  1.00 16.56 ? 121 LYS C N   1 
ATOM   2633 C CA  . LYS C 1 107 ? -4.840  -0.603  16.722  1.00 15.52 ? 121 LYS C CA  1 
ATOM   2634 C C   . LYS C 1 107 ? -4.545  0.680   17.497  1.00 14.44 ? 121 LYS C C   1 
ATOM   2635 O O   . LYS C 1 107 ? -4.855  1.780   17.039  1.00 14.90 ? 121 LYS C O   1 
ATOM   2636 C CB  . LYS C 1 107 ? -6.057  -0.444  15.809  1.00 17.65 ? 121 LYS C CB  1 
ATOM   2637 C CG  . LYS C 1 107 ? -7.404  -0.408  16.522  1.00 19.48 ? 121 LYS C CG  1 
ATOM   2638 C CD  . LYS C 1 107 ? -8.543  -0.132  15.536  1.00 21.51 ? 121 LYS C CD  1 
ATOM   2639 C CE  . LYS C 1 107 ? -9.897  -0.124  16.230  1.00 23.21 ? 121 LYS C CE  1 
ATOM   2640 N NZ  . LYS C 1 107 ? -11.006 0.075   15.256  1.00 24.93 ? 121 LYS C NZ  1 
ATOM   2641 N N   . SER C 1 108 ? -3.897  0.557   18.654  1.00 12.67 ? 122 SER C N   1 
ATOM   2642 C CA  . SER C 1 108 ? -3.643  1.713   19.505  1.00 11.65 ? 122 SER C CA  1 
ATOM   2643 C C   . SER C 1 108 ? -2.398  2.517   19.112  1.00 11.10 ? 122 SER C C   1 
ATOM   2644 O O   . SER C 1 108 ? -2.294  3.677   19.522  1.00 11.98 ? 122 SER C O   1 
ATOM   2645 C CB  . SER C 1 108 ? -3.458  1.258   20.953  1.00 13.35 ? 122 SER C CB  1 
ATOM   2646 O OG  . SER C 1 108 ? -2.286  0.464   21.092  1.00 15.19 ? 122 SER C OG  1 
ATOM   2647 N N   . THR C 1 109 ? -1.460  1.963   18.329  1.00 9.80  ? 123 THR C N   1 
ATOM   2648 C CA  . THR C 1 109 ? -0.125  2.562   18.198  1.00 10.37 ? 123 THR C CA  1 
ATOM   2649 C C   . THR C 1 109 ? 0.268   2.757   16.740  1.00 9.61  ? 123 THR C C   1 
ATOM   2650 O O   . THR C 1 109 ? 0.394   1.781   15.993  1.00 11.65 ? 123 THR C O   1 
ATOM   2651 C CB  . THR C 1 109 ? 0.943   1.734   18.916  1.00 10.53 ? 123 THR C CB  1 
ATOM   2652 O OG1 . THR C 1 109 ? 0.515   1.468   20.254  1.00 12.15 ? 123 THR C OG1 1 
ATOM   2653 C CG2 . THR C 1 109 ? 2.267   2.499   18.983  1.00 11.16 ? 123 THR C CG2 1 
ATOM   2654 N N   . LEU C 1 110 ? 0.473   4.013   16.355  1.00 10.12 ? 124 LEU C N   1 
ATOM   2655 C CA  . LEU C 1 110 ? 1.039   4.370   15.055  1.00 11.19 ? 124 LEU C CA  1 
ATOM   2656 C C   . LEU C 1 110 ? 2.554   4.527   15.149  1.00 10.47 ? 124 LEU C C   1 
ATOM   2657 O O   . LEU C 1 110 ? 3.104   4.848   16.209  1.00 10.12 ? 124 LEU C O   1 
ATOM   2658 C CB  . LEU C 1 110 ? 0.446   5.694   14.577  1.00 12.20 ? 124 LEU C CB  1 
ATOM   2659 C CG  . LEU C 1 110 ? -1.040  5.669   14.202  1.00 13.45 ? 124 LEU C CG  1 
ATOM   2660 C CD1 . LEU C 1 110 ? -1.579  7.077   14.120  1.00 14.73 ? 124 LEU C CD1 1 
ATOM   2661 C CD2 . LEU C 1 110 ? -1.245  4.944   12.873  1.00 12.76 ? 124 LEU C CD2 1 
ATOM   2662 N N   . VAL C 1 111 ? 3.234   4.313   14.020  1.00 10.43 ? 125 VAL C N   1 
ATOM   2663 C CA  . VAL C 1 111 ? 4.691   4.413   13.956  1.00 10.05 ? 125 VAL C CA  1 
ATOM   2664 C C   . VAL C 1 111 ? 5.100   5.229   12.731  1.00 10.07 ? 125 VAL C C   1 
ATOM   2665 O O   . VAL C 1 111 ? 4.468   5.143   11.672  1.00 10.08 ? 125 VAL C O   1 
ATOM   2666 C CB  . VAL C 1 111 ? 5.368   3.020   13.953  1.00 11.00 ? 125 VAL C CB  1 
ATOM   2667 C CG1 . VAL C 1 111 ? 4.968   2.215   12.719  1.00 12.81 ? 125 VAL C CG1 1 
ATOM   2668 C CG2 . VAL C 1 111 ? 6.898   3.145   14.058  1.00 11.00 ? 125 VAL C CG2 1 
ATOM   2669 N N   . GLY C 1 112 ? 6.164   6.008   12.876  1.00 9.76  ? 126 GLY C N   1 
ATOM   2670 C CA  . GLY C 1 112 ? 6.658   6.807   11.774  1.00 10.45 ? 126 GLY C CA  1 
ATOM   2671 C C   . GLY C 1 112 ? 8.047   7.324   12.079  1.00 10.16 ? 126 GLY C C   1 
ATOM   2672 O O   . GLY C 1 112 ? 8.682   6.921   13.058  1.00 11.38 ? 126 GLY C O   1 
ATOM   2673 N N   . HIS C 1 113 ? 8.519   8.227   11.221  1.00 12.70 ? 127 HIS C N   1 
ATOM   2674 C CA  . HIS C 1 113 ? 9.852   8.794   11.366  1.00 12.97 ? 127 HIS C CA  1 
ATOM   2675 C C   . HIS C 1 113 ? 9.821   10.280  11.047  1.00 13.68 ? 127 HIS C C   1 
ATOM   2676 O O   . HIS C 1 113 ? 9.188   10.701  10.073  1.00 15.67 ? 127 HIS C O   1 
ATOM   2677 C CB  . HIS C 1 113 ? 10.887  8.074   10.479  1.00 13.52 ? 127 HIS C CB  1 
ATOM   2678 C CG  . HIS C 1 113 ? 10.447  7.900   9.058   1.00 16.54 ? 127 HIS C CG  1 
ATOM   2679 N ND1 . HIS C 1 113 ? 10.849  8.742   8.043   1.00 17.94 ? 127 HIS C ND1 1 
ATOM   2680 C CD2 . HIS C 1 113 ? 9.633   6.982   8.483   1.00 17.09 ? 127 HIS C CD2 1 
ATOM   2681 C CE1 . HIS C 1 113 ? 10.301  8.352   6.906   1.00 19.73 ? 127 HIS C CE1 1 
ATOM   2682 N NE2 . HIS C 1 113 ? 9.562   7.284   7.145   1.00 19.31 ? 127 HIS C NE2 1 
ATOM   2683 N N   . ASP C 1 114 ? 10.508  11.072  11.876  1.00 13.29 ? 128 ASP C N   1 
ATOM   2684 C CA  . ASP C 1 114 ? 10.599  12.513  11.690  1.00 13.51 ? 128 ASP C CA  1 
ATOM   2685 C C   . ASP C 1 114 ? 12.062  12.919  11.678  1.00 13.19 ? 128 ASP C C   1 
ATOM   2686 O O   . ASP C 1 114 ? 12.858  12.436  12.492  1.00 13.24 ? 128 ASP C O   1 
ATOM   2687 C CB  . ASP C 1 114 ? 9.937   13.294  12.843  1.00 13.56 ? 128 ASP C CB  1 
ATOM   2688 C CG  . ASP C 1 114 ? 8.416   13.288  12.787  1.00 14.56 ? 128 ASP C CG  1 
ATOM   2689 O OD1 . ASP C 1 114 ? 7.825   12.777  11.809  1.00 16.53 ? 128 ASP C OD1 1 
ATOM   2690 O OD2 . ASP C 1 114 ? 7.803   13.806  13.748  1.00 14.93 ? 128 ASP C OD2 1 
ATOM   2691 N N   . THR C 1 115 ? 12.405  13.838  10.787  1.00 14.53 ? 129 THR C N   1 
ATOM   2692 C CA  . THR C 1 115 ? 13.722  14.454  10.798  1.00 15.01 ? 129 THR C CA  1 
ATOM   2693 C C   . THR C 1 115 ? 13.572  15.946  11.076  1.00 14.01 ? 129 THR C C   1 
ATOM   2694 O O   . THR C 1 115 ? 12.715  16.612  10.475  1.00 15.70 ? 129 THR C O   1 
ATOM   2695 C CB  A THR C 1 115 ? 14.520  14.171  9.510   0.79 16.09 ? 129 THR C CB  1 
ATOM   2696 C CB  B THR C 1 115 ? 14.399  14.247  9.446   0.21 15.87 ? 129 THR C CB  1 
ATOM   2697 O OG1 A THR C 1 115 ? 15.858  14.678  9.651   0.79 17.45 ? 129 THR C OG1 1 
ATOM   2698 O OG1 B THR C 1 115 ? 14.570  12.844  9.205   0.21 16.34 ? 129 THR C OG1 1 
ATOM   2699 C CG2 A THR C 1 115 ? 13.846  14.790  8.289   0.79 16.52 ? 129 THR C CG2 1 
ATOM   2700 C CG2 B THR C 1 115 ? 15.732  14.909  9.448   0.21 16.61 ? 129 THR C CG2 1 
ATOM   2701 N N   . PHE C 1 116 ? 14.387  16.456  11.999  1.00 13.54 ? 130 PHE C N   1 
ATOM   2702 C CA  . PHE C 1 116 ? 14.314  17.836  12.455  1.00 14.63 ? 130 PHE C CA  1 
ATOM   2703 C C   . PHE C 1 116 ? 15.580  18.587  12.059  1.00 15.79 ? 130 PHE C C   1 
ATOM   2704 O O   . PHE C 1 116 ? 16.693  18.066  12.194  1.00 15.53 ? 130 PHE C O   1 
ATOM   2705 C CB  . PHE C 1 116 ? 14.180  17.890  13.984  1.00 15.13 ? 130 PHE C CB  1 
ATOM   2706 C CG  . PHE C 1 116 ? 12.897  17.308  14.513  1.00 14.68 ? 130 PHE C CG  1 
ATOM   2707 C CD1 . PHE C 1 116 ? 12.787  15.949  14.779  1.00 14.30 ? 130 PHE C CD1 1 
ATOM   2708 C CD2 . PHE C 1 116 ? 11.808  18.125  14.763  1.00 14.93 ? 130 PHE C CD2 1 
ATOM   2709 C CE1 . PHE C 1 116 ? 11.604  15.412  15.273  1.00 13.36 ? 130 PHE C CE1 1 
ATOM   2710 C CE2 . PHE C 1 116 ? 10.624  17.601  15.263  1.00 15.11 ? 130 PHE C CE2 1 
ATOM   2711 C CZ  . PHE C 1 116 ? 10.521  16.241  15.515  1.00 14.59 ? 130 PHE C CZ  1 
ATOM   2712 N N   . THR C 1 117 ? 15.405  19.822  11.595  1.00 15.63 ? 131 THR C N   1 
ATOM   2713 C CA  . THR C 1 117 ? 16.508  20.736  11.331  1.00 17.06 ? 131 THR C CA  1 
ATOM   2714 C C   . THR C 1 117 ? 16.159  22.087  11.944  1.00 17.53 ? 131 THR C C   1 
ATOM   2715 O O   . THR C 1 117 ? 15.019  22.333  12.345  1.00 17.82 ? 131 THR C O   1 
ATOM   2716 C CB  . THR C 1 117 ? 16.773  20.889  9.826   1.00 20.13 ? 131 THR C CB  1 
ATOM   2717 O OG1 . THR C 1 117 ? 15.644  21.517  9.214   1.00 23.94 ? 131 THR C OG1 1 
ATOM   2718 C CG2 . THR C 1 117 ? 17.002  19.531  9.171   1.00 19.66 ? 131 THR C CG2 1 
ATOM   2719 N N   . LYS C 1 118 ? 17.146  22.973  12.034  1.00 19.84 ? 132 LYS C N   1 
ATOM   2720 C CA  . LYS C 1 118 ? 16.888  24.304  12.563  1.00 21.61 ? 132 LYS C CA  1 
ATOM   2721 C C   . LYS C 1 118 ? 16.375  25.272  11.501  1.00 22.30 ? 132 LYS C C   1 
ATOM   2722 O O   . LYS C 1 118 ? 16.209  26.460  11.788  1.00 24.11 ? 132 LYS C O   1 
ATOM   2723 C CB  . LYS C 1 118 ? 18.103  24.849  13.327  1.00 23.30 ? 132 LYS C CB  1 
ATOM   2724 C CG  . LYS C 1 118 ? 18.344  24.125  14.655  1.00 24.45 ? 132 LYS C CG  1 
ATOM   2725 C CD  . LYS C 1 118 ? 19.479  24.730  15.472  1.00 25.54 ? 132 LYS C CD  1 
ATOM   2726 C CE  . LYS C 1 118 ? 19.599  24.024  16.818  1.00 26.69 ? 132 LYS C CE  1 
ATOM   2727 N NZ  . LYS C 1 118 ? 20.779  24.460  17.620  1.00 26.37 ? 132 LYS C NZ  1 
ATOM   2728 N N   . VAL C 1 119 ? 16.100  24.783  10.290  1.00 22.06 ? 133 VAL C N   1 
ATOM   2729 C CA  . VAL C 1 119 ? 15.473  25.573  9.238   1.00 22.69 ? 133 VAL C CA  1 
ATOM   2730 C C   . VAL C 1 119 ? 14.108  24.976  8.919   1.00 23.57 ? 133 VAL C C   1 
ATOM   2731 O O   . VAL C 1 119 ? 13.879  23.771  9.072   1.00 23.88 ? 133 VAL C O   1 
ATOM   2732 C CB  . VAL C 1 119 ? 16.344  25.666  7.964   1.00 23.13 ? 133 VAL C CB  1 
ATOM   2733 C CG1 . VAL C 1 119 ? 17.704  26.262  8.292   1.00 23.17 ? 133 VAL C CG1 1 
ATOM   2734 C CG2 . VAL C 1 119 ? 16.490  24.296  7.318   1.00 23.29 ? 133 VAL C CG2 1 
ATOM   2735 N N   . LYS C 1 120 ? 13.195  25.832  8.473   1.00 23.99 ? 134 LYS C N   1 
ATOM   2736 C CA  . LYS C 1 120 ? 11.874  25.368  8.091   1.00 25.28 ? 134 LYS C CA  1 
ATOM   2737 C C   . LYS C 1 120 ? 11.957  24.564  6.792   1.00 25.10 ? 134 LYS C C   1 
ATOM   2738 O O   . LYS C 1 120 ? 12.819  24.820  5.948   1.00 24.80 ? 134 LYS C O   1 
ATOM   2739 C CB  . LYS C 1 120 ? 10.934  26.556  7.908   1.00 26.25 ? 134 LYS C CB  1 
ATOM   2740 C CG  . LYS C 1 120 ? 10.651  27.336  9.192   1.00 28.19 ? 134 LYS C CG  1 
ATOM   2741 C CD  . LYS C 1 120 ? 9.459   28.265  9.007   1.00 31.21 ? 134 LYS C CD  1 
ATOM   2742 C CE  . LYS C 1 120 ? 9.155   29.061  10.267  1.00 33.75 ? 134 LYS C CE  1 
ATOM   2743 N NZ  . LYS C 1 120 ? 10.165  30.128  10.496  1.00 35.30 ? 134 LYS C NZ  1 
ATOM   2744 N N   . PRO C 1 121 ? 11.072  23.568  6.612   1.00 25.85 ? 135 PRO C N   1 
ATOM   2745 C CA  . PRO C 1 121 ? 11.069  22.745  5.394   1.00 27.08 ? 135 PRO C CA  1 
ATOM   2746 C C   . PRO C 1 121 ? 10.840  23.569  4.131   1.00 28.63 ? 135 PRO C C   1 
ATOM   2747 O O   . PRO C 1 121 ? 10.027  24.493  4.123   1.00 28.79 ? 135 PRO C O   1 
ATOM   2748 C CB  . PRO C 1 121 ? 9.894   21.781  5.621   1.00 27.17 ? 135 PRO C CB  1 
ATOM   2749 C CG  . PRO C 1 121 ? 9.063   22.414  6.694   1.00 26.14 ? 135 PRO C CG  1 
ATOM   2750 C CD  . PRO C 1 121 ? 10.032  23.147  7.566   1.00 25.05 ? 135 PRO C CD  1 
ATOM   2751 O OXT . PRO C 1 121 ? 11.465  23.332  3.092   1.00 30.67 ? 135 PRO C OXT 1 
ATOM   2752 N N   . GLY D 1 2   ? 2.350   -0.369  -12.320 1.00 27.63 ? 16  GLY D N   1 
ATOM   2753 C CA  . GLY D 1 2   ? 3.473   0.532   -12.143 1.00 24.96 ? 16  GLY D CA  1 
ATOM   2754 C C   . GLY D 1 2   ? 4.532   0.009   -11.190 1.00 20.90 ? 16  GLY D C   1 
ATOM   2755 O O   . GLY D 1 2   ? 5.602   0.606   -11.051 1.00 22.08 ? 16  GLY D O   1 
ATOM   2756 N N   . ILE D 1 3   ? 4.247   -1.124  -10.545 1.00 17.70 ? 17  ILE D N   1 
ATOM   2757 C CA  . ILE D 1 3   ? 5.170   -1.662  -9.549  1.00 16.80 ? 17  ILE D CA  1 
ATOM   2758 C C   . ILE D 1 3   ? 6.261   -2.498  -10.203 1.00 15.21 ? 17  ILE D C   1 
ATOM   2759 O O   . ILE D 1 3   ? 7.419   -2.456  -9.784  1.00 14.93 ? 17  ILE D O   1 
ATOM   2760 C CB  . ILE D 1 3   ? 4.414   -2.452  -8.460  1.00 17.88 ? 17  ILE D CB  1 
ATOM   2761 C CG1 . ILE D 1 3   ? 3.569   -1.517  -7.594  1.00 19.01 ? 17  ILE D CG1 1 
ATOM   2762 C CG2 . ILE D 1 3   ? 5.397   -3.222  -7.578  1.00 17.59 ? 17  ILE D CG2 1 
ATOM   2763 C CD1 . ILE D 1 3   ? 2.561   -2.251  -6.708  1.00 18.81 ? 17  ILE D CD1 1 
ATOM   2764 N N   . THR D 1 4   ? 5.921   -3.268  -11.233 1.00 14.57 ? 18  THR D N   1 
ATOM   2765 C CA  . THR D 1 4   ? 6.898   -4.154  -11.861 1.00 15.49 ? 18  THR D CA  1 
ATOM   2766 C C   . THR D 1 4   ? 8.095   -3.372  -12.394 1.00 15.64 ? 18  THR D C   1 
ATOM   2767 O O   . THR D 1 4   ? 7.937   -2.350  -13.068 1.00 16.42 ? 18  THR D O   1 
ATOM   2768 C CB  . THR D 1 4   ? 6.221   -4.912  -13.006 1.00 15.96 ? 18  THR D CB  1 
ATOM   2769 O OG1 . THR D 1 4   ? 5.252   -5.822  -12.468 1.00 16.70 ? 18  THR D OG1 1 
ATOM   2770 C CG2 . THR D 1 4   ? 7.240   -5.687  -13.823 1.00 17.47 ? 18  THR D CG2 1 
ATOM   2771 N N   . GLY D 1 5   ? 9.292   -3.842  -12.068 1.00 15.90 ? 19  GLY D N   1 
ATOM   2772 C CA  . GLY D 1 5   ? 10.517  -3.276  -12.584 1.00 14.61 ? 19  GLY D CA  1 
ATOM   2773 C C   . GLY D 1 5   ? 11.564  -3.171  -11.495 1.00 13.66 ? 19  GLY D C   1 
ATOM   2774 O O   . GLY D 1 5   ? 11.488  -3.846  -10.465 1.00 14.10 ? 19  GLY D O   1 
ATOM   2775 N N   . THR D 1 6   ? 12.535  -2.294  -11.723 1.00 14.28 ? 20  THR D N   1 
ATOM   2776 C CA  . THR D 1 6   ? 13.690  -2.140  -10.850 1.00 13.97 ? 20  THR D CA  1 
ATOM   2777 C C   . THR D 1 6   ? 13.553  -0.869  -10.024 1.00 13.99 ? 20  THR D C   1 
ATOM   2778 O O   . THR D 1 6   ? 13.203  0.189   -10.556 1.00 16.29 ? 20  THR D O   1 
ATOM   2779 C CB  . THR D 1 6   ? 14.971  -2.064  -11.688 1.00 15.82 ? 20  THR D CB  1 
ATOM   2780 O OG1 . THR D 1 6   ? 15.088  -3.253  -12.472 1.00 18.08 ? 20  THR D OG1 1 
ATOM   2781 C CG2 . THR D 1 6   ? 16.204  -1.926  -10.802 1.00 16.25 ? 20  THR D CG2 1 
ATOM   2782 N N   . TRP D 1 7   ? 13.844  -0.976  -8.725  1.00 13.18 ? 21  TRP D N   1 
ATOM   2783 C CA  . TRP D 1 7   ? 13.755  0.141   -7.798  1.00 13.17 ? 21  TRP D CA  1 
ATOM   2784 C C   . TRP D 1 7   ? 15.063  0.264   -7.029  1.00 13.25 ? 21  TRP D C   1 
ATOM   2785 O O   . TRP D 1 7   ? 15.782  -0.720  -6.846  1.00 14.24 ? 21  TRP D O   1 
ATOM   2786 C CB  . TRP D 1 7   ? 12.598  -0.085  -6.807  1.00 13.93 ? 21  TRP D CB  1 
ATOM   2787 C CG  . TRP D 1 7   ? 11.238  -0.071  -7.447  1.00 13.97 ? 21  TRP D CG  1 
ATOM   2788 C CD1 . TRP D 1 7   ? 10.605  -1.114  -8.066  1.00 14.79 ? 21  TRP D CD1 1 
ATOM   2789 C CD2 . TRP D 1 7   ? 10.351  1.047   -7.537  1.00 13.73 ? 21  TRP D CD2 1 
ATOM   2790 N NE1 . TRP D 1 7   ? 9.369   -0.709  -8.536  1.00 15.02 ? 21  TRP D NE1 1 
ATOM   2791 C CE2 . TRP D 1 7   ? 9.192   0.613   -8.219  1.00 14.61 ? 21  TRP D CE2 1 
ATOM   2792 C CE3 . TRP D 1 7   ? 10.421  2.374   -7.104  1.00 15.09 ? 21  TRP D CE3 1 
ATOM   2793 C CZ2 . TRP D 1 7   ? 8.107   1.458   -8.462  1.00 15.99 ? 21  TRP D CZ2 1 
ATOM   2794 C CZ3 . TRP D 1 7   ? 9.340   3.214   -7.351  1.00 15.54 ? 21  TRP D CZ3 1 
ATOM   2795 C CH2 . TRP D 1 7   ? 8.205   2.754   -8.032  1.00 16.07 ? 21  TRP D CH2 1 
ATOM   2796 N N   . TYR D 1 8   ? 15.355  1.480   -6.563  1.00 13.22 ? 22  TYR D N   1 
ATOM   2797 C CA  . TYR D 1 8   ? 16.602  1.788   -5.869  1.00 13.17 ? 22  TYR D CA  1 
ATOM   2798 C C   . TYR D 1 8   ? 16.288  2.544   -4.584  1.00 14.00 ? 22  TYR D C   1 
ATOM   2799 O O   . TYR D 1 8   ? 15.524  3.510   -4.610  1.00 15.60 ? 22  TYR D O   1 
ATOM   2800 C CB  . TYR D 1 8   ? 17.509  2.662   -6.757  1.00 14.23 ? 22  TYR D CB  1 
ATOM   2801 C CG  . TYR D 1 8   ? 17.764  2.090   -8.141  1.00 15.06 ? 22  TYR D CG  1 
ATOM   2802 C CD1 . TYR D 1 8   ? 18.788  1.188   -8.352  1.00 15.77 ? 22  TYR D CD1 1 
ATOM   2803 C CD2 . TYR D 1 8   ? 16.962  2.440   -9.225  1.00 14.33 ? 22  TYR D CD2 1 
ATOM   2804 C CE1 . TYR D 1 8   ? 19.029  0.659   -9.602  1.00 16.09 ? 22  TYR D CE1 1 
ATOM   2805 C CE2 . TYR D 1 8   ? 17.193  1.908   -10.486 1.00 15.43 ? 22  TYR D CE2 1 
ATOM   2806 C CZ  . TYR D 1 8   ? 18.226  1.013   -10.660 1.00 14.74 ? 22  TYR D CZ  1 
ATOM   2807 O OH  . TYR D 1 8   ? 18.491  0.470   -11.897 1.00 15.72 ? 22  TYR D OH  1 
ATOM   2808 N N   . ASN D 1 9   ? 16.895  2.130   -3.467  1.00 14.46 ? 23  ASN D N   1 
ATOM   2809 C CA  . ASN D 1 9   ? 16.667  2.839   -2.213  1.00 16.79 ? 23  ASN D CA  1 
ATOM   2810 C C   . ASN D 1 9   ? 17.666  3.981   -2.034  1.00 19.12 ? 23  ASN D C   1 
ATOM   2811 O O   . ASN D 1 9   ? 18.524  4.241   -2.884  1.00 20.71 ? 23  ASN D O   1 
ATOM   2812 C CB  . ASN D 1 9   ? 16.603  1.893   -1.001  1.00 18.09 ? 23  ASN D CB  1 
ATOM   2813 C CG  . ASN D 1 9   ? 17.984  1.520   -0.444  1.00 20.56 ? 23  ASN D CG  1 
ATOM   2814 O OD1 . ASN D 1 9   ? 19.018  1.707   -1.084  1.00 21.31 ? 23  ASN D OD1 1 
ATOM   2815 N ND2 . ASN D 1 9   ? 17.987  0.966   0.761   1.00 22.65 ? 23  ASN D ND2 1 
ATOM   2816 N N   . GLN D 1 10  ? 17.558  4.661   -0.892  1.00 21.57 ? 24  GLN D N   1 
ATOM   2817 C CA  . GLN D 1 10  ? 18.388  5.819   -0.597  1.00 24.70 ? 24  GLN D CA  1 
ATOM   2818 C C   . GLN D 1 10  ? 19.835  5.454   -0.298  1.00 28.50 ? 24  GLN D C   1 
ATOM   2819 O O   . GLN D 1 10  ? 20.686  6.350   -0.278  1.00 30.61 ? 24  GLN D O   1 
ATOM   2820 C CB  . GLN D 1 10  ? 17.788  6.598   0.580   1.00 24.55 ? 24  GLN D CB  1 
ATOM   2821 C CG  . GLN D 1 10  ? 17.962  5.943   1.958   0.51 22.52 ? 24  GLN D CG  1 
ATOM   2822 C CD  . GLN D 1 10  ? 16.928  4.864   2.272   0.72 20.48 ? 24  GLN D CD  1 
ATOM   2823 O OE1 . GLN D 1 10  ? 16.026  4.581   1.477   1.00 19.02 ? 24  GLN D OE1 1 
ATOM   2824 N NE2 . GLN D 1 10  ? 17.056  4.258   3.451   0.57 19.86 ? 24  GLN D NE2 1 
ATOM   2825 N N   . LEU D 1 11  ? 20.139  4.172   -0.081  1.00 29.39 ? 25  LEU D N   1 
ATOM   2826 C CA  . LEU D 1 11  ? 21.470  3.751   0.343   1.00 31.18 ? 25  LEU D CA  1 
ATOM   2827 C C   . LEU D 1 11  ? 22.149  2.797   -0.633  1.00 32.19 ? 25  LEU D C   1 
ATOM   2828 O O   . LEU D 1 11  ? 23.131  2.146   -0.257  1.00 32.75 ? 25  LEU D O   1 
ATOM   2829 C CB  . LEU D 1 11  ? 21.418  3.132   1.743   1.00 32.35 ? 25  LEU D CB  1 
ATOM   2830 C CG  . LEU D 1 11  ? 21.056  4.094   2.876   1.00 34.18 ? 25  LEU D CG  1 
ATOM   2831 C CD1 . LEU D 1 11  ? 20.854  3.345   4.188   1.00 34.67 ? 25  LEU D CD1 1 
ATOM   2832 C CD2 . LEU D 1 11  ? 22.126  5.166   3.020   1.00 34.76 ? 25  LEU D CD2 1 
ATOM   2833 N N   . GLY D 1 12  ? 21.655  2.687   -1.871  1.00 31.55 ? 26  GLY D N   1 
ATOM   2834 C CA  . GLY D 1 12  ? 22.300  1.923   -2.920  1.00 30.62 ? 26  GLY D CA  1 
ATOM   2835 C C   . GLY D 1 12  ? 21.585  0.637   -3.296  1.00 27.98 ? 26  GLY D C   1 
ATOM   2836 O O   . GLY D 1 12  ? 21.687  0.198   -4.449  1.00 30.15 ? 26  GLY D O   1 
ATOM   2837 N N   . SER D 1 13  ? 20.870  0.025   -2.354  1.00 22.21 ? 27  SER D N   1 
ATOM   2838 C CA  . SER D 1 13  ? 20.259  -1.274  -2.602  1.00 19.84 ? 27  SER D CA  1 
ATOM   2839 C C   . SER D 1 13  ? 19.302  -1.206  -3.787  1.00 18.19 ? 27  SER D C   1 
ATOM   2840 O O   . SER D 1 13  ? 18.741  -0.155  -4.105  1.00 19.36 ? 27  SER D O   1 
ATOM   2841 C CB  . SER D 1 13  ? 19.497  -1.743  -1.365  1.00 20.55 ? 27  SER D CB  1 
ATOM   2842 O OG  . SER D 1 13  ? 20.381  -1.961  -0.283  1.00 23.18 ? 27  SER D OG  1 
ATOM   2843 N N   . THR D 1 14  ? 19.124  -2.351  -4.442  1.00 16.35 ? 28  THR D N   1 
ATOM   2844 C CA  . THR D 1 14  ? 18.327  -2.468  -5.658  1.00 16.74 ? 28  THR D CA  1 
ATOM   2845 C C   . THR D 1 14  ? 17.335  -3.609  -5.489  1.00 15.74 ? 28  THR D C   1 
ATOM   2846 O O   . THR D 1 14  ? 17.694  -4.679  -4.991  1.00 18.96 ? 28  THR D O   1 
ATOM   2847 C CB  . THR D 1 14  ? 19.241  -2.770  -6.862  1.00 19.40 ? 28  THR D CB  1 
ATOM   2848 O OG1 . THR D 1 14  ? 20.248  -1.760  -6.973  1.00 21.77 ? 28  THR D OG1 1 
ATOM   2849 C CG2 . THR D 1 14  ? 18.447  -2.816  -8.153  1.00 18.88 ? 28  THR D CG2 1 
ATOM   2850 N N   A PHE D 1 15  ? 16.128  -3.460  -5.996  0.56 15.22 ? 29  PHE D N   1 
ATOM   2851 N N   B PHE D 1 15  ? 16.073  -3.331  -5.870  0.44 13.59 ? 29  PHE D N   1 
ATOM   2852 C CA  A PHE D 1 15  ? 15.371  -4.684  -6.164  0.56 15.88 ? 29  PHE D CA  1 
ATOM   2853 C CA  B PHE D 1 15  ? 14.865  -4.092  -5.533  0.44 13.08 ? 29  PHE D CA  1 
ATOM   2854 C C   A PHE D 1 15  ? 14.656  -4.695  -7.501  0.56 14.75 ? 29  PHE D C   1 
ATOM   2855 C C   B PHE D 1 15  ? 14.162  -4.403  -6.850  0.44 12.85 ? 29  PHE D C   1 
ATOM   2856 O O   A PHE D 1 15  ? 14.249  -3.652  -8.019  0.56 14.30 ? 29  PHE D O   1 
ATOM   2857 O O   B PHE D 1 15  ? 13.566  -3.513  -7.465  0.44 14.68 ? 29  PHE D O   1 
ATOM   2858 C CB  A PHE D 1 15  ? 14.472  -5.028  -4.972  0.56 14.90 ? 29  PHE D CB  1 
ATOM   2859 C CB  B PHE D 1 15  ? 13.969  -3.233  -4.624  0.44 12.83 ? 29  PHE D CB  1 
ATOM   2860 C CG  A PHE D 1 15  ? 13.293  -4.126  -4.800  0.56 13.91 ? 29  PHE D CG  1 
ATOM   2861 C CG  B PHE D 1 15  ? 12.538  -3.730  -4.447  0.44 13.38 ? 29  PHE D CG  1 
ATOM   2862 C CD1 A PHE D 1 15  ? 12.130  -4.351  -5.509  0.56 14.87 ? 29  PHE D CD1 1 
ATOM   2863 C CD1 B PHE D 1 15  ? 12.262  -5.035  -4.074  0.44 12.88 ? 29  PHE D CD1 1 
ATOM   2864 C CD2 A PHE D 1 15  ? 13.326  -3.081  -3.889  0.56 14.39 ? 29  PHE D CD2 1 
ATOM   2865 C CD2 B PHE D 1 15  ? 11.471  -2.848  -4.582  0.44 13.02 ? 29  PHE D CD2 1 
ATOM   2866 C CE1 A PHE D 1 15  ? 11.034  -3.536  -5.343  0.56 13.79 ? 29  PHE D CE1 1 
ATOM   2867 C CE1 B PHE D 1 15  ? 10.946  -5.460  -3.884  0.44 12.76 ? 29  PHE D CE1 1 
ATOM   2868 C CE2 A PHE D 1 15  ? 12.220  -2.268  -3.715  0.56 13.35 ? 29  PHE D CE2 1 
ATOM   2869 C CE2 B PHE D 1 15  ? 10.154  -3.268  -4.390  0.44 13.54 ? 29  PHE D CE2 1 
ATOM   2870 C CZ  A PHE D 1 15  ? 11.080  -2.492  -4.448  0.56 13.25 ? 29  PHE D CZ  1 
ATOM   2871 C CZ  B PHE D 1 15  ? 9.892   -4.575  -4.042  0.44 12.62 ? 29  PHE D CZ  1 
ATOM   2872 N N   A ILE D 1 16  ? 14.552  -5.892  -8.067  0.56 14.19 ? 30  ILE D N   1 
ATOM   2873 N N   B ILE D 1 16  ? 14.241  -5.658  -7.287  0.44 12.23 ? 30  ILE D N   1 
ATOM   2874 C CA  A ILE D 1 16  ? 13.778  -6.138  -9.272  0.56 15.50 ? 30  ILE D CA  1 
ATOM   2875 C CA  B ILE D 1 16  ? 13.809  -6.082  -8.617  0.44 12.77 ? 30  ILE D CA  1 
ATOM   2876 C C   A ILE D 1 16  ? 12.607  -7.019  -8.874  0.56 15.02 ? 30  ILE D C   1 
ATOM   2877 C C   B ILE D 1 16  ? 12.541  -6.907  -8.439  0.44 12.30 ? 30  ILE D C   1 
ATOM   2878 O O   A ILE D 1 16  ? 12.788  -8.155  -8.421  0.56 16.23 ? 30  ILE D O   1 
ATOM   2879 O O   B ILE D 1 16  ? 12.578  -7.945  -7.769  0.44 11.79 ? 30  ILE D O   1 
ATOM   2880 C CB  A ILE D 1 16  ? 14.618  -6.770  -10.393 0.56 17.07 ? 30  ILE D CB  1 
ATOM   2881 C CB  B ILE D 1 16  ? 14.907  -6.930  -9.277  0.44 13.42 ? 30  ILE D CB  1 
ATOM   2882 C CG1 A ILE D 1 16  ? 15.782  -5.853  -10.783 0.56 19.91 ? 30  ILE D CG1 1 
ATOM   2883 C CG1 B ILE D 1 16  ? 16.218  -6.143  -9.367  0.44 12.56 ? 30  ILE D CG1 1 
ATOM   2884 C CG2 A ILE D 1 16  ? 13.747  -7.030  -11.621 0.56 16.91 ? 30  ILE D CG2 1 
ATOM   2885 C CG2 B ILE D 1 16  ? 14.466  -7.415  -10.634 0.44 13.85 ? 30  ILE D CG2 1 
ATOM   2886 C CD1 A ILE D 1 16  ? 17.042  -6.033  -9.966  0.56 22.15 ? 30  ILE D CD1 1 
ATOM   2887 C CD1 B ILE D 1 16  ? 17.437  -7.007  -9.654  0.44 15.02 ? 30  ILE D CD1 1 
ATOM   2888 N N   . VAL D 1 17  ? 11.417  -6.481  -9.037  1.00 13.50 ? 31  VAL D N   1 
ATOM   2889 C CA  . VAL D 1 17  ? 10.154  -7.105  -8.654  1.00 14.31 ? 31  VAL D CA  1 
ATOM   2890 C C   . VAL D 1 17  ? 9.209   -7.248  -9.838  1.00 15.34 ? 31  VAL D C   1 
ATOM   2891 O O   . VAL D 1 17  ? 9.176   -6.410  -10.743 1.00 14.67 ? 31  VAL D O   1 
ATOM   2892 C CB  . VAL D 1 17  ? 9.489   -6.320  -7.491  1.00 14.17 ? 31  VAL D CB  1 
ATOM   2893 C CG1 . VAL D 1 17  ? 9.044   -4.945  -7.951  1.00 16.34 ? 31  VAL D CG1 1 
ATOM   2894 C CG2 . VAL D 1 17  ? 8.353   -7.116  -6.821  1.00 15.04 ? 31  VAL D CG2 1 
ATOM   2895 N N   . THR D 1 18  ? 8.430   -8.326  -9.812  1.00 15.23 ? 32  THR D N   1 
ATOM   2896 C CA  . THR D 1 18  ? 7.288   -8.511  -10.698 1.00 15.42 ? 32  THR D CA  1 
ATOM   2897 C C   . THR D 1 18  ? 6.018   -8.529  -9.856  1.00 16.11 ? 32  THR D C   1 
ATOM   2898 O O   . THR D 1 18  ? 5.915   -9.293  -8.887  1.00 15.95 ? 32  THR D O   1 
ATOM   2899 C CB  . THR D 1 18  ? 7.406   -9.816  -11.490 1.00 18.52 ? 32  THR D CB  1 
ATOM   2900 O OG1 . THR D 1 18  ? 8.544   -9.753  -12.367 1.00 21.19 ? 32  THR D OG1 1 
ATOM   2901 C CG2 . THR D 1 18  ? 6.143   -10.054 -12.316 1.00 20.18 ? 32  THR D CG2 1 
ATOM   2902 N N   . ALA D 1 19  ? 5.067   -7.681  -10.218 1.00 16.01 ? 33  ALA D N   1 
ATOM   2903 C CA  . ALA D 1 19  ? 3.773   -7.620  -9.551  1.00 16.61 ? 33  ALA D CA  1 
ATOM   2904 C C   . ALA D 1 19  ? 2.777   -8.403  -10.401 1.00 16.67 ? 33  ALA D C   1 
ATOM   2905 O O   . ALA D 1 19  ? 2.455   -7.997  -11.523 1.00 18.76 ? 33  ALA D O   1 
ATOM   2906 C CB  . ALA D 1 19  ? 3.344   -6.166  -9.383  1.00 17.34 ? 33  ALA D CB  1 
ATOM   2907 N N   . GLY D 1 20  ? 2.293   -9.530  -9.864  1.00 16.93 ? 34  GLY D N   1 
ATOM   2908 C CA  . GLY D 1 20  ? 1.368   -10.370 -10.590 1.00 18.51 ? 34  GLY D CA  1 
ATOM   2909 C C   . GLY D 1 20  ? -0.066  -9.892  -10.485 1.00 18.33 ? 34  GLY D C   1 
ATOM   2910 O O   . GLY D 1 20  ? -0.424  -9.114  -9.599  1.00 20.36 ? 34  GLY D O   1 
ATOM   2911 N N   . ALA D 1 21  ? -0.895  -10.411 -11.398 1.00 19.40 ? 35  ALA D N   1 
ATOM   2912 C CA  . ALA D 1 21  ? -2.245  -9.886  -11.589 1.00 20.89 ? 35  ALA D CA  1 
ATOM   2913 C C   . ALA D 1 21  ? -3.109  -9.970  -10.336 1.00 24.21 ? 35  ALA D C   1 
ATOM   2914 O O   . ALA D 1 21  ? -3.971  -9.108  -10.128 1.00 27.20 ? 35  ALA D O   1 
ATOM   2915 C CB  . ALA D 1 21  ? -2.928  -10.623 -12.736 1.00 20.96 ? 35  ALA D CB  1 
ATOM   2916 N N   . ASP D 1 22  ? -2.922  -10.996 -9.505  1.00 23.79 ? 36  ASP D N   1 
ATOM   2917 C CA  . ASP D 1 22  ? -3.794  -11.212 -8.357  1.00 24.42 ? 36  ASP D CA  1 
ATOM   2918 C C   . ASP D 1 22  ? -3.169  -10.796 -7.033  1.00 22.32 ? 36  ASP D C   1 
ATOM   2919 O O   . ASP D 1 22  ? -3.721  -11.114 -5.974  1.00 23.86 ? 36  ASP D O   1 
ATOM   2920 C CB  . ASP D 1 22  ? -4.288  -12.663 -8.298  1.00 28.99 ? 36  ASP D CB  1 
ATOM   2921 C CG  . ASP D 1 22  ? -5.508  -12.907 -9.182  1.00 33.76 ? 36  ASP D CG  1 
ATOM   2922 O OD1 . ASP D 1 22  ? -6.168  -11.927 -9.585  1.00 34.95 ? 36  ASP D OD1 1 
ATOM   2923 O OD2 . ASP D 1 22  ? -5.817  -14.085 -9.461  1.00 36.15 ? 36  ASP D OD2 1 
ATOM   2924 N N   . GLY D 1 23  ? -2.039  -10.100 -7.059  1.00 17.87 ? 37  GLY D N   1 
ATOM   2925 C CA  . GLY D 1 23  ? -1.466  -9.550  -5.842  1.00 16.02 ? 37  GLY D CA  1 
ATOM   2926 C C   . GLY D 1 23  ? -0.105  -10.090 -5.439  1.00 13.78 ? 37  GLY D C   1 
ATOM   2927 O O   . GLY D 1 23  ? 0.388   -9.716  -4.367  1.00 14.37 ? 37  GLY D O   1 
ATOM   2928 N N   . ALA D 1 24  ? 0.553   -10.932 -6.230  1.00 14.43 ? 38  ALA D N   1 
ATOM   2929 C CA  . ALA D 1 24  ? 1.847   -11.486 -5.849  1.00 14.69 ? 38  ALA D CA  1 
ATOM   2930 C C   . ALA D 1 24  ? 2.987   -10.522 -6.164  1.00 13.82 ? 38  ALA D C   1 
ATOM   2931 O O   . ALA D 1 24  ? 2.997   -9.862  -7.207  1.00 14.70 ? 38  ALA D O   1 
ATOM   2932 C CB  . ALA D 1 24  ? 2.086   -12.802 -6.592  1.00 16.81 ? 38  ALA D CB  1 
ATOM   2933 N N   . LEU D 1 25  ? 3.956   -10.447 -5.255  1.00 12.80 ? 39  LEU D N   1 
ATOM   2934 C CA  . LEU D 1 25  ? 5.242   -9.816  -5.530  1.00 13.61 ? 39  LEU D CA  1 
ATOM   2935 C C   . LEU D 1 25  ? 6.323   -10.883 -5.479  1.00 13.27 ? 39  LEU D C   1 
ATOM   2936 O O   . LEU D 1 25  ? 6.407   -11.643 -4.507  1.00 14.54 ? 39  LEU D O   1 
ATOM   2937 C CB  . LEU D 1 25  ? 5.571   -8.723  -4.507  1.00 13.17 ? 39  LEU D CB  1 
ATOM   2938 C CG  . LEU D 1 25  ? 4.648   -7.506  -4.387  1.00 13.27 ? 39  LEU D CG  1 
ATOM   2939 C CD1 . LEU D 1 25  ? 5.134   -6.587  -3.271  1.00 14.53 ? 39  LEU D CD1 1 
ATOM   2940 C CD2 . LEU D 1 25  ? 4.522   -6.745  -5.711  1.00 14.15 ? 39  LEU D CD2 1 
ATOM   2941 N N   . THR D 1 26  ? 7.147   -10.940 -6.523  1.00 14.01 ? 40  THR D N   1 
ATOM   2942 C CA  . THR D 1 26  ? 8.267   -11.870 -6.586  1.00 14.00 ? 40  THR D CA  1 
ATOM   2943 C C   . THR D 1 26  ? 9.468   -11.164 -7.197  1.00 15.08 ? 40  THR D C   1 
ATOM   2944 O O   . THR D 1 26  ? 9.324   -10.311 -8.077  1.00 17.32 ? 40  THR D O   1 
ATOM   2945 C CB  . THR D 1 26  ? 7.929   -13.102 -7.447  1.00 16.23 ? 40  THR D CB  1 
ATOM   2946 O OG1 . THR D 1 26  ? 7.636   -12.680 -8.780  1.00 18.64 ? 40  THR D OG1 1 
ATOM   2947 C CG2 . THR D 1 26  ? 6.715   -13.851 -6.893  1.00 16.68 ? 40  THR D CG2 1 
ATOM   2948 N N   . GLY D 1 27  ? 10.659  -11.540 -6.749  1.00 14.92 ? 41  GLY D N   1 
ATOM   2949 C CA  . GLY D 1 27  ? 11.841  -10.942 -7.351  1.00 13.75 ? 41  GLY D CA  1 
ATOM   2950 C C   . GLY D 1 27  ? 13.112  -11.186 -6.576  1.00 12.72 ? 41  GLY D C   1 
ATOM   2951 O O   . GLY D 1 27  ? 13.262  -12.199 -5.877  1.00 13.59 ? 41  GLY D O   1 
ATOM   2952 N N   A THR D 1 28  ? 14.039  -10.228 -6.692  0.71 13.60 ? 42  THR D N   1 
ATOM   2953 N N   B THR D 1 28  ? 14.054  -10.258 -6.732  0.29 13.56 ? 42  THR D N   1 
ATOM   2954 C CA  A THR D 1 28  ? 15.381  -10.339 -6.137  0.71 14.46 ? 42  THR D CA  1 
ATOM   2955 C CA  B THR D 1 28  ? 15.353  -10.338 -6.090  0.29 14.11 ? 42  THR D CA  1 
ATOM   2956 C C   A THR D 1 28  ? 15.779  -9.013  -5.506  0.71 14.61 ? 42  THR D C   1 
ATOM   2957 C C   B THR D 1 28  ? 15.674  -9.008  -5.433  0.29 14.60 ? 42  THR D C   1 
ATOM   2958 O O   A THR D 1 28  ? 15.528  -7.948  -6.075  0.71 15.48 ? 42  THR D O   1 
ATOM   2959 O O   B THR D 1 28  ? 15.265  -7.944  -5.905  0.29 15.51 ? 42  THR D O   1 
ATOM   2960 C CB  A THR D 1 28  ? 16.398  -10.696 -7.244  0.71 15.40 ? 42  THR D CB  1 
ATOM   2961 C CB  B THR D 1 28  ? 16.469  -10.648 -7.095  0.29 14.28 ? 42  THR D CB  1 
ATOM   2962 O OG1 A THR D 1 28  ? 16.027  -11.935 -7.857  0.71 17.93 ? 42  THR D OG1 1 
ATOM   2963 O OG1 B THR D 1 28  ? 16.478  -9.648  -8.117  0.29 15.54 ? 42  THR D OG1 1 
ATOM   2964 C CG2 A THR D 1 28  ? 17.820  -10.832 -6.677  0.71 15.38 ? 42  THR D CG2 1 
ATOM   2965 C CG2 B THR D 1 28  ? 16.275  -12.013 -7.721  0.29 14.06 ? 42  THR D CG2 1 
ATOM   2966 N N   . TYR D 1 29  ? 16.423  -9.084  -4.340  1.00 14.28 ? 43  TYR D N   1 
ATOM   2967 C CA  . TYR D 1 29  ? 16.928  -7.912  -3.639  1.00 14.10 ? 43  TYR D CA  1 
ATOM   2968 C C   . TYR D 1 29  ? 18.446  -8.014  -3.626  1.00 13.85 ? 43  TYR D C   1 
ATOM   2969 O O   . TYR D 1 29  ? 18.988  -9.074  -3.303  1.00 15.18 ? 43  TYR D O   1 
ATOM   2970 C CB  . TYR D 1 29  ? 16.406  -7.875  -2.197  1.00 13.84 ? 43  TYR D CB  1 
ATOM   2971 C CG  . TYR D 1 29  ? 16.407  -6.499  -1.584  1.00 12.55 ? 43  TYR D CG  1 
ATOM   2972 C CD1 . TYR D 1 29  ? 17.530  -6.001  -0.935  1.00 14.49 ? 43  TYR D CD1 1 
ATOM   2973 C CD2 . TYR D 1 29  ? 15.270  -5.696  -1.639  1.00 14.09 ? 43  TYR D CD2 1 
ATOM   2974 C CE1 . TYR D 1 29  ? 17.520  -4.735  -0.369  1.00 15.68 ? 43  TYR D CE1 1 
ATOM   2975 C CE2 . TYR D 1 29  ? 15.256  -4.430  -1.083  1.00 14.61 ? 43  TYR D CE2 1 
ATOM   2976 C CZ  . TYR D 1 29  ? 16.382  -3.955  -0.447  1.00 16.25 ? 43  TYR D CZ  1 
ATOM   2977 O OH  . TYR D 1 29  ? 16.369  -2.696  0.112   1.00 17.21 ? 43  TYR D OH  1 
ATOM   2978 N N   . GLU D 1 30  ? 19.135  -6.932  -3.986  1.00 14.86 ? 44  GLU D N   1 
ATOM   2979 C CA  . GLU D 1 30  ? 20.586  -7.023  -4.122  1.00 17.49 ? 44  GLU D CA  1 
ATOM   2980 C C   . GLU D 1 30  ? 21.246  -5.703  -3.738  1.00 18.38 ? 44  GLU D C   1 
ATOM   2981 O O   . GLU D 1 30  ? 20.584  -4.711  -3.426  1.00 18.46 ? 44  GLU D O   1 
ATOM   2982 C CB  . GLU D 1 30  ? 20.984  -7.483  -5.532  1.00 19.48 ? 44  GLU D CB  1 
ATOM   2983 C CG  . GLU D 1 30  ? 20.670  -6.474  -6.624  1.00 21.52 ? 44  GLU D CG  1 
ATOM   2984 C CD  . GLU D 1 30  ? 20.838  -7.039  -8.021  1.00 25.18 ? 44  GLU D CD  1 
ATOM   2985 O OE1 . GLU D 1 30  ? 20.841  -8.276  -8.173  1.00 26.68 ? 44  GLU D OE1 1 
ATOM   2986 O OE2 . GLU D 1 30  ? 20.964  -6.238  -8.969  1.00 26.80 ? 44  GLU D OE2 1 
ATOM   2987 N N   . SER D 1 31  ? 22.577  -5.705  -3.757  1.00 20.09 ? 45  SER D N   1 
ATOM   2988 C CA  . SER D 1 31  ? 23.348  -4.498  -3.513  1.00 22.80 ? 45  SER D CA  1 
ATOM   2989 C C   . SER D 1 31  ? 23.506  -3.709  -4.811  1.00 25.07 ? 45  SER D C   1 
ATOM   2990 O O   . SER D 1 31  ? 23.148  -4.168  -5.899  1.00 26.66 ? 45  SER D O   1 
ATOM   2991 C CB  . SER D 1 31  ? 24.722  -4.849  -2.948  1.00 23.86 ? 45  SER D CB  1 
ATOM   2992 O OG  . SER D 1 31  ? 25.562  -5.382  -3.958  1.00 24.94 ? 45  SER D OG  1 
ATOM   2993 N N   . ALA D 1 32  ? 24.051  -2.497  -4.683  1.00 26.79 ? 46  ALA D N   1 
ATOM   2994 C CA  . ALA D 1 32  ? 24.292  -1.669  -5.860  1.00 29.86 ? 46  ALA D CA  1 
ATOM   2995 C C   . ALA D 1 32  ? 25.281  -2.324  -6.814  1.00 31.95 ? 46  ALA D C   1 
ATOM   2996 O O   . ALA D 1 32  ? 25.151  -2.183  -8.036  1.00 33.56 ? 46  ALA D O   1 
ATOM   2997 C CB  . ALA D 1 32  ? 24.793  -0.288  -5.438  1.00 30.70 ? 46  ALA D CB  1 
ATOM   2998 N N   . VAL D 1 33  ? 26.270  -3.042  -6.278  1.00 32.17 ? 47  VAL D N   1 
ATOM   2999 C CA  . VAL D 1 33  ? 27.240  -3.730  -7.124  1.00 32.29 ? 47  VAL D CA  1 
ATOM   3000 C C   . VAL D 1 33  ? 26.561  -4.823  -7.940  1.00 31.75 ? 47  VAL D C   1 
ATOM   3001 O O   . VAL D 1 33  ? 26.850  -5.001  -9.129  1.00 32.60 ? 47  VAL D O   1 
ATOM   3002 C CB  . VAL D 1 33  ? 28.396  -4.281  -6.270  1.00 33.82 ? 47  VAL D CB  1 
ATOM   3003 C CG1 . VAL D 1 33  ? 29.439  -4.946  -7.154  1.00 34.12 ? 47  VAL D CG1 1 
ATOM   3004 C CG2 . VAL D 1 33  ? 29.018  -3.170  -5.438  1.00 34.50 ? 47  VAL D CG2 1 
ATOM   3005 N N   . GLY D 1 34  ? 25.658  -5.573  -7.317  1.00 30.06 ? 48  GLY D N   1 
ATOM   3006 C CA  . GLY D 1 34  ? 24.897  -6.586  -8.014  1.00 29.03 ? 48  GLY D CA  1 
ATOM   3007 C C   . GLY D 1 34  ? 25.558  -7.940  -8.146  1.00 27.44 ? 48  GLY D C   1 
ATOM   3008 O O   . GLY D 1 34  ? 25.023  -8.798  -8.858  1.00 28.59 ? 48  GLY D O   1 
ATOM   3009 N N   . ASN D 1 35  ? 26.698  -8.164  -7.491  1.00 24.95 ? 49  ASN D N   1 
ATOM   3010 C CA  . ASN D 1 35  ? 27.338  -9.471  -7.555  1.00 23.83 ? 49  ASN D CA  1 
ATOM   3011 C C   . ASN D 1 35  ? 26.414  -10.539 -6.980  1.00 23.91 ? 49  ASN D C   1 
ATOM   3012 O O   . ASN D 1 35  ? 25.553  -10.260 -6.139  1.00 23.65 ? 49  ASN D O   1 
ATOM   3013 C CB  . ASN D 1 35  ? 28.683  -9.461  -6.816  1.00 24.85 ? 49  ASN D CB  1 
ATOM   3014 C CG  . ASN D 1 35  ? 28.553  -9.056  -5.357  1.00 25.52 ? 49  ASN D CG  1 
ATOM   3015 O OD1 . ASN D 1 35  ? 28.022  -7.990  -5.037  1.00 27.45 ? 49  ASN D OD1 1 
ATOM   3016 N ND2 . ASN D 1 35  ? 29.038  -9.909  -4.463  1.00 26.85 ? 49  ASN D ND2 1 
ATOM   3017 N N   . ALA D 1 36  ? 26.596  -11.775 -7.458  1.00 25.04 ? 50  ALA D N   1 
ATOM   3018 C CA  . ALA D 1 36  ? 25.681  -12.858 -7.109  1.00 25.26 ? 50  ALA D CA  1 
ATOM   3019 C C   . ALA D 1 36  ? 25.588  -13.066 -5.604  1.00 23.42 ? 50  ALA D C   1 
ATOM   3020 O O   . ALA D 1 36  ? 24.503  -13.355 -5.084  1.00 22.77 ? 50  ALA D O   1 
ATOM   3021 C CB  . ALA D 1 36  ? 26.100  -14.152 -7.810  1.00 25.54 ? 50  ALA D CB  1 
ATOM   3022 N N   . GLU D 1 37  ? 26.695  -12.889 -4.883  1.00 24.38 ? 51  GLU D N   1 
ATOM   3023 C CA  . GLU D 1 37  ? 26.704  -13.112 -3.446  1.00 23.24 ? 51  GLU D CA  1 
ATOM   3024 C C   . GLU D 1 37  ? 25.859  -12.099 -2.686  1.00 22.53 ? 51  GLU D C   1 
ATOM   3025 O O   . GLU D 1 37  ? 25.548  -12.336 -1.512  1.00 21.86 ? 51  GLU D O   1 
ATOM   3026 C CB  . GLU D 1 37  ? 28.147  -13.093 -2.932  1.00 24.71 ? 51  GLU D CB  1 
ATOM   3027 C CG  . GLU D 1 37  ? 29.045  -14.178 -3.532  1.00 27.77 ? 51  GLU D CG  1 
ATOM   3028 C CD  . GLU D 1 37  ? 29.763  -13.742 -4.803  1.00 27.65 ? 51  GLU D CD  1 
ATOM   3029 O OE1 . GLU D 1 37  ? 29.414  -12.682 -5.364  1.00 28.03 ? 51  GLU D OE1 1 
ATOM   3030 O OE2 . GLU D 1 37  ? 30.692  -14.459 -5.237  1.00 28.68 ? 51  GLU D OE2 1 
ATOM   3031 N N   . SER D 1 38  ? 25.470  -10.997 -3.327  1.00 20.50 ? 52  SER D N   1 
ATOM   3032 C CA  . SER D 1 38  ? 24.644  -9.965  -2.717  1.00 20.92 ? 52  SER D CA  1 
ATOM   3033 C C   . SER D 1 38  ? 23.162  -10.098 -3.050  1.00 17.25 ? 52  SER D C   1 
ATOM   3034 O O   . SER D 1 38  ? 22.371  -9.260  -2.608  1.00 16.54 ? 52  SER D O   1 
ATOM   3035 C CB  . SER D 1 38  ? 25.120  -8.582  -3.176  1.00 22.62 ? 52  SER D CB  1 
ATOM   3036 O OG  . SER D 1 38  ? 24.600  -8.274  -4.466  1.00 25.14 ? 52  SER D OG  1 
ATOM   3037 N N   . ARG D 1 39  ? 22.763  -11.116 -3.808  1.00 16.35 ? 53  ARG D N   1 
ATOM   3038 C CA  . ARG D 1 39  ? 21.391  -11.244 -4.295  1.00 14.58 ? 53  ARG D CA  1 
ATOM   3039 C C   . ARG D 1 39  ? 20.610  -12.238 -3.447  1.00 14.38 ? 53  ARG D C   1 
ATOM   3040 O O   . ARG D 1 39  ? 21.100  -13.333 -3.153  1.00 15.46 ? 53  ARG D O   1 
ATOM   3041 C CB  . ARG D 1 39  ? 21.384  -11.742 -5.743  1.00 18.58 ? 53  ARG D CB  1 
ATOM   3042 C CG  . ARG D 1 39  ? 22.211  -10.916 -6.712  1.00 22.56 ? 53  ARG D CG  1 
ATOM   3043 C CD  . ARG D 1 39  ? 22.179  -11.535 -8.106  1.00 26.09 ? 53  ARG D CD  1 
ATOM   3044 N NE  . ARG D 1 39  ? 23.143  -10.922 -9.010  1.00 29.51 ? 53  ARG D NE  1 
ATOM   3045 C CZ  . ARG D 1 39  ? 23.597  -11.496 -10.116 1.00 32.42 ? 53  ARG D CZ  1 
ATOM   3046 N NH1 . ARG D 1 39  ? 23.193  -12.702 -10.483 1.00 33.69 ? 53  ARG D NH1 1 
ATOM   3047 N NH2 . ARG D 1 39  ? 24.486  -10.851 -10.867 1.00 34.39 ? 53  ARG D NH2 1 
ATOM   3048 N N   . TYR D 1 40  ? 19.367  -11.873 -3.103  1.00 13.27 ? 54  TYR D N   1 
ATOM   3049 C CA  . TYR D 1 40  ? 18.510  -12.706 -2.268  1.00 14.02 ? 54  TYR D CA  1 
ATOM   3050 C C   . TYR D 1 40  ? 17.098  -12.712 -2.835  1.00 13.60 ? 54  TYR D C   1 
ATOM   3051 O O   . TYR D 1 40  ? 16.651  -11.726 -3.424  1.00 14.65 ? 54  TYR D O   1 
ATOM   3052 C CB  . TYR D 1 40  ? 18.468  -12.185 -0.819  1.00 14.24 ? 54  TYR D CB  1 
ATOM   3053 C CG  . TYR D 1 40  ? 19.834  -12.110 -0.161  1.00 13.98 ? 54  TYR D CG  1 
ATOM   3054 C CD1 . TYR D 1 40  ? 20.677  -11.027 -0.384  1.00 14.98 ? 54  TYR D CD1 1 
ATOM   3055 C CD2 . TYR D 1 40  ? 20.274  -13.117 0.695   1.00 13.80 ? 54  TYR D CD2 1 
ATOM   3056 C CE1 . TYR D 1 40  ? 21.924  -10.954 0.209   1.00 15.63 ? 54  TYR D CE1 1 
ATOM   3057 C CE2 . TYR D 1 40  ? 21.520  -13.052 1.295   1.00 14.63 ? 54  TYR D CE2 1 
ATOM   3058 C CZ  . TYR D 1 40  ? 22.333  -11.965 1.046   1.00 15.69 ? 54  TYR D CZ  1 
ATOM   3059 O OH  . TYR D 1 40  ? 23.571  -11.886 1.632   1.00 18.06 ? 54  TYR D OH  1 
ATOM   3060 N N   . VAL D 1 41  ? 16.392  -13.830 -2.628  1.00 13.79 ? 55  VAL D N   1 
ATOM   3061 C CA  . VAL D 1 41  ? 14.998  -13.950 -3.048  1.00 13.90 ? 55  VAL D CA  1 
ATOM   3062 C C   . VAL D 1 41  ? 14.117  -13.027 -2.215  1.00 13.32 ? 55  VAL D C   1 
ATOM   3063 O O   . VAL D 1 41  ? 14.286  -12.908 -0.991  1.00 14.31 ? 55  VAL D O   1 
ATOM   3064 C CB  . VAL D 1 41  ? 14.543  -15.414 -2.898  1.00 14.41 ? 55  VAL D CB  1 
ATOM   3065 C CG1 . VAL D 1 41  ? 13.040  -15.553 -3.142  1.00 15.13 ? 55  VAL D CG1 1 
ATOM   3066 C CG2 . VAL D 1 41  ? 15.333  -16.331 -3.822  1.00 15.33 ? 55  VAL D CG2 1 
ATOM   3067 N N   . LEU D 1 42  ? 13.143  -12.386 -2.865  1.00 13.45 ? 56  LEU D N   1 
ATOM   3068 C CA  . LEU D 1 42  ? 12.094  -11.677 -2.141  1.00 14.76 ? 56  LEU D CA  1 
ATOM   3069 C C   . LEU D 1 42  ? 10.722  -12.154 -2.589  1.00 14.01 ? 56  LEU D C   1 
ATOM   3070 O O   . LEU D 1 42  ? 10.512  -12.539 -3.748  1.00 14.47 ? 56  LEU D O   1 
ATOM   3071 C CB  . LEU D 1 42  ? 12.159  -10.164 -2.318  1.00 18.48 ? 56  LEU D CB  1 
ATOM   3072 C CG  . LEU D 1 42  ? 11.685  -9.574  -3.644  1.00 18.93 ? 56  LEU D CG  1 
ATOM   3073 C CD1 . LEU D 1 42  ? 10.205  -9.111  -3.617  1.00 17.08 ? 56  LEU D CD1 1 
ATOM   3074 C CD2 . LEU D 1 42  ? 12.591  -8.444  -4.041  1.00 19.98 ? 56  LEU D CD2 1 
ATOM   3075 N N   A THR D 1 43  ? 9.791   -12.156 -1.642  0.66 14.07 ? 57  THR D N   1 
ATOM   3076 N N   B THR D 1 43  ? 9.767   -12.076 -1.667  0.34 14.07 ? 57  THR D N   1 
ATOM   3077 C CA  A THR D 1 43  ? 8.403   -12.446 -1.946  0.66 13.73 ? 57  THR D CA  1 
ATOM   3078 C CA  B THR D 1 43  ? 8.405   -12.493 -1.951  0.34 13.99 ? 57  THR D CA  1 
ATOM   3079 C C   A THR D 1 43  ? 7.527   -11.559 -1.081  0.66 10.73 ? 57  THR D C   1 
ATOM   3080 C C   B THR D 1 43  ? 7.463   -11.707 -1.049  0.34 12.43 ? 57  THR D C   1 
ATOM   3081 O O   A THR D 1 43  ? 7.903   -11.188 0.037   0.66 10.56 ? 57  THR D O   1 
ATOM   3082 O O   B THR D 1 43  ? 7.738   -11.547 0.144   0.34 12.24 ? 57  THR D O   1 
ATOM   3083 C CB  A THR D 1 43  ? 8.039   -13.926 -1.739  0.66 16.96 ? 57  THR D CB  1 
ATOM   3084 C CB  B THR D 1 43  ? 8.251   -14.002 -1.717  0.34 15.62 ? 57  THR D CB  1 
ATOM   3085 O OG1 A THR D 1 43  ? 6.699   -14.153 -2.191  0.66 18.37 ? 57  THR D OG1 1 
ATOM   3086 O OG1 B THR D 1 43  ? 9.426   -14.687 -2.180  0.34 15.22 ? 57  THR D OG1 1 
ATOM   3087 C CG2 A THR D 1 43  ? 8.127   -14.306 -0.281  0.66 16.64 ? 57  THR D CG2 1 
ATOM   3088 C CG2 B THR D 1 43  ? 7.070   -14.523 -2.487  0.34 16.38 ? 57  THR D CG2 1 
ATOM   3089 N N   . GLY D 1 44  ? 6.368   -11.216 -1.621  1.00 12.00 ? 58  GLY D N   1 
ATOM   3090 C CA  . GLY D 1 44  ? 5.408   -10.430 -0.875  1.00 12.03 ? 58  GLY D CA  1 
ATOM   3091 C C   . GLY D 1 44  ? 4.055   -10.335 -1.559  1.00 11.11 ? 58  GLY D C   1 
ATOM   3092 O O   . GLY D 1 44  ? 3.720   -11.135 -2.438  1.00 12.17 ? 58  GLY D O   1 
ATOM   3093 N N   . ARG D 1 45  ? 3.274   -9.337  -1.136  1.00 11.12 ? 59  ARG D N   1 
ATOM   3094 C CA  . ARG D 1 45  ? 1.909   -9.158  -1.616  1.00 11.53 ? 59  ARG D CA  1 
ATOM   3095 C C   . ARG D 1 45  ? 1.613   -7.673  -1.759  1.00 11.87 ? 59  ARG D C   1 
ATOM   3096 O O   . ARG D 1 45  ? 2.167   -6.844  -1.035  1.00 12.43 ? 59  ARG D O   1 
ATOM   3097 C CB  . ARG D 1 45  ? 0.877   -9.754  -0.630  1.00 11.37 ? 59  ARG D CB  1 
ATOM   3098 C CG  . ARG D 1 45  ? 1.025   -11.241 -0.335  1.00 11.96 ? 59  ARG D CG  1 
ATOM   3099 C CD  . ARG D 1 45  ? 0.622   -12.116 -1.504  1.00 12.82 ? 59  ARG D CD  1 
ATOM   3100 N NE  . ARG D 1 45  ? -0.799  -11.968 -1.788  1.00 12.93 ? 59  ARG D NE  1 
ATOM   3101 C CZ  . ARG D 1 45  ? -1.404  -12.426 -2.876  1.00 12.06 ? 59  ARG D CZ  1 
ATOM   3102 N NH1 . ARG D 1 45  ? -0.736  -13.079 -3.816  1.00 14.27 ? 59  ARG D NH1 1 
ATOM   3103 N NH2 . ARG D 1 45  ? -2.709  -12.213 -3.033  1.00 12.25 ? 59  ARG D NH2 1 
ATOM   3104 N N   . TYR D 1 46  ? 0.699   -7.341  -2.676  1.00 13.74 ? 60  TYR D N   1 
ATOM   3105 C CA  . TYR D 1 46  ? 0.225   -5.970  -2.823  1.00 13.44 ? 60  TYR D CA  1 
ATOM   3106 C C   . TYR D 1 46  ? -1.272  -5.977  -3.106  1.00 12.86 ? 60  TYR D C   1 
ATOM   3107 O O   . TYR D 1 46  ? -1.832  -6.979  -3.555  1.00 13.40 ? 60  TYR D O   1 
ATOM   3108 C CB  . TYR D 1 46  ? 0.988   -5.202  -3.924  1.00 13.79 ? 60  TYR D CB  1 
ATOM   3109 C CG  . TYR D 1 46  ? 0.573   -5.582  -5.330  1.00 15.10 ? 60  TYR D CG  1 
ATOM   3110 C CD1 . TYR D 1 46  ? 0.987   -6.778  -5.900  1.00 15.00 ? 60  TYR D CD1 1 
ATOM   3111 C CD2 . TYR D 1 46  ? -0.261  -4.753  -6.074  1.00 16.70 ? 60  TYR D CD2 1 
ATOM   3112 C CE1 . TYR D 1 46  ? 0.601   -7.131  -7.191  1.00 15.36 ? 60  TYR D CE1 1 
ATOM   3113 C CE2 . TYR D 1 46  ? -0.660  -5.098  -7.358  1.00 16.39 ? 60  TYR D CE2 1 
ATOM   3114 C CZ  . TYR D 1 46  ? -0.236  -6.289  -7.906  1.00 16.50 ? 60  TYR D CZ  1 
ATOM   3115 O OH  . TYR D 1 46  ? -0.641  -6.621  -9.184  1.00 17.41 ? 60  TYR D OH  1 
ATOM   3116 N N   . ASP D 1 47  ? -1.913  -4.838  -2.839  1.00 13.13 ? 61  ASP D N   1 
ATOM   3117 C CA  . ASP D 1 47  ? -3.325  -4.629  -3.175  1.00 14.03 ? 61  ASP D CA  1 
ATOM   3118 C C   . ASP D 1 47  ? -3.470  -4.458  -4.688  1.00 14.94 ? 61  ASP D C   1 
ATOM   3119 O O   . ASP D 1 47  ? -3.102  -3.417  -5.241  1.00 15.03 ? 61  ASP D O   1 
ATOM   3120 C CB  . ASP D 1 47  ? -3.835  -3.400  -2.419  1.00 13.27 ? 61  ASP D CB  1 
ATOM   3121 C CG  . ASP D 1 47  ? -5.293  -3.066  -2.712  1.00 13.60 ? 61  ASP D CG  1 
ATOM   3122 O OD1 . ASP D 1 47  ? -5.977  -3.819  -3.448  1.00 14.16 ? 61  ASP D OD1 1 
ATOM   3123 O OD2 . ASP D 1 47  ? -5.758  -2.031  -2.178  1.00 14.01 ? 61  ASP D OD2 1 
ATOM   3124 N N   . SER D 1 48  ? -4.019  -5.471  -5.354  1.00 14.65 ? 62  SER D N   1 
ATOM   3125 C CA  . SER D 1 48  ? -4.181  -5.448  -6.803  1.00 15.59 ? 62  SER D CA  1 
ATOM   3126 C C   . SER D 1 48  ? -5.418  -4.686  -7.271  1.00 17.08 ? 62  SER D C   1 
ATOM   3127 O O   . SER D 1 48  ? -5.669  -4.639  -8.478  1.00 18.96 ? 62  SER D O   1 
ATOM   3128 C CB  . SER D 1 48  ? -4.200  -6.878  -7.350  1.00 18.64 ? 62  SER D CB  1 
ATOM   3129 O OG  . SER D 1 48  ? -5.266  -7.618  -6.779  1.00 21.80 ? 62  SER D OG  1 
ATOM   3130 N N   . ALA D 1 49  ? -6.187  -4.080  -6.369  1.00 16.67 ? 63  ALA D N   1 
ATOM   3131 C CA  . ALA D 1 49  ? -7.309  -3.219  -6.749  1.00 17.29 ? 63  ALA D CA  1 
ATOM   3132 C C   . ALA D 1 49  ? -7.365  -2.040  -5.787  1.00 18.15 ? 63  ALA D C   1 
ATOM   3133 O O   . ALA D 1 49  ? -8.281  -1.928  -4.968  1.00 18.36 ? 63  ALA D O   1 
ATOM   3134 C CB  . ALA D 1 49  ? -8.626  -3.999  -6.763  1.00 19.00 ? 63  ALA D CB  1 
ATOM   3135 N N   . PRO D 1 50  ? -6.385  -1.140  -5.858  1.00 17.71 ? 64  PRO D N   1 
ATOM   3136 C CA  . PRO D 1 50  ? -6.329  -0.028  -4.899  1.00 18.58 ? 64  PRO D CA  1 
ATOM   3137 C C   . PRO D 1 50  ? -7.477  0.949   -5.111  1.00 19.21 ? 64  PRO D C   1 
ATOM   3138 O O   . PRO D 1 50  ? -8.177  0.929   -6.125  1.00 20.13 ? 64  PRO D O   1 
ATOM   3139 C CB  . PRO D 1 50  ? -4.976  0.626   -5.201  1.00 19.51 ? 64  PRO D CB  1 
ATOM   3140 C CG  . PRO D 1 50  ? -4.738  0.316   -6.643  1.00 19.88 ? 64  PRO D CG  1 
ATOM   3141 C CD  . PRO D 1 50  ? -5.304  -1.061  -6.856  1.00 18.62 ? 64  PRO D CD  1 
ATOM   3142 N N   . ALA D 1 51  ? -7.669  1.818   -4.122  1.00 20.10 ? 65  ALA D N   1 
ATOM   3143 C CA  . ALA D 1 51  ? -8.696  2.842   -4.224  1.00 21.92 ? 65  ALA D CA  1 
ATOM   3144 C C   . ALA D 1 51  ? -8.359  3.830   -5.341  1.00 24.67 ? 65  ALA D C   1 
ATOM   3145 O O   . ALA D 1 51  ? -7.216  3.932   -5.798  1.00 25.16 ? 65  ALA D O   1 
ATOM   3146 C CB  . ALA D 1 51  ? -8.852  3.577   -2.891  1.00 22.89 ? 65  ALA D CB  1 
ATOM   3147 N N   . THR D 1 52  ? -9.380  4.555   -5.795  1.00 27.40 ? 66  THR D N   1 
ATOM   3148 C CA  . THR D 1 52  ? -9.234  5.511   -6.886  1.00 29.67 ? 66  THR D CA  1 
ATOM   3149 C C   . THR D 1 52  ? -9.454  6.951   -6.428  1.00 30.70 ? 66  THR D C   1 
ATOM   3150 O O   . THR D 1 52  ? -9.857  7.807   -7.219  1.00 32.48 ? 66  THR D O   1 
ATOM   3151 C CB  . THR D 1 52  ? -10.152 5.159   -8.058  1.00 30.43 ? 66  THR D CB  1 
ATOM   3152 O OG1 . THR D 1 52  ? -11.506 5.069   -7.596  1.00 31.92 ? 66  THR D OG1 1 
ATOM   3153 C CG2 . THR D 1 52  ? -9.741  3.827   -8.673  1.00 30.32 ? 66  THR D CG2 1 
ATOM   3154 N N   . ASP D 1 53  ? -9.181  7.230   -5.155  1.00 30.07 ? 67  ASP D N   1 
ATOM   3155 C CA  . ASP D 1 53  ? -9.374  8.550   -4.573  1.00 29.25 ? 67  ASP D CA  1 
ATOM   3156 C C   . ASP D 1 53  ? -8.067  9.312   -4.385  1.00 29.19 ? 67  ASP D C   1 
ATOM   3157 O O   . ASP D 1 53  ? -8.048  10.322  -3.676  1.00 30.42 ? 67  ASP D O   1 
ATOM   3158 C CB  . ASP D 1 53  ? -10.105 8.429   -3.235  1.00 29.24 ? 67  ASP D CB  1 
ATOM   3159 C CG  . ASP D 1 53  ? -9.356  7.560   -2.234  1.00 28.35 ? 67  ASP D CG  1 
ATOM   3160 O OD1 . ASP D 1 53  ? -8.221  7.126   -2.530  1.00 26.30 ? 67  ASP D OD1 1 
ATOM   3161 O OD2 . ASP D 1 53  ? -9.904  7.306   -1.142  1.00 29.65 ? 67  ASP D OD2 1 
ATOM   3162 N N   . GLY D 1 54  ? -6.976  8.842   -4.986  1.00 27.54 ? 68  GLY D N   1 
ATOM   3163 C CA  . GLY D 1 54  ? -5.672  9.436   -4.790  1.00 26.52 ? 68  GLY D CA  1 
ATOM   3164 C C   . GLY D 1 54  ? -4.794  8.737   -3.775  1.00 25.36 ? 68  GLY D C   1 
ATOM   3165 O O   . GLY D 1 54  ? -3.653  9.170   -3.571  1.00 26.69 ? 68  GLY D O   1 
ATOM   3166 N N   . SER D 1 55  ? -5.282  7.676   -3.139  1.00 21.58 ? 69  SER D N   1 
ATOM   3167 C CA  . SER D 1 55  ? -4.497  6.960   -2.143  1.00 20.14 ? 69  SER D CA  1 
ATOM   3168 C C   . SER D 1 55  ? -3.451  6.070   -2.802  1.00 17.81 ? 69  SER D C   1 
ATOM   3169 O O   . SER D 1 55  ? -3.610  5.621   -3.942  1.00 17.81 ? 69  SER D O   1 
ATOM   3170 C CB  . SER D 1 55  ? -5.403  6.085   -1.275  1.00 21.49 ? 69  SER D CB  1 
ATOM   3171 O OG  . SER D 1 55  ? -6.360  6.861   -0.578  1.00 23.65 ? 69  SER D OG  1 
ATOM   3172 N N   . GLY D 1 56  ? -2.375  5.814   -2.064  1.00 15.79 ? 70  GLY D N   1 
ATOM   3173 C CA  . GLY D 1 56  ? -1.352  4.892   -2.503  1.00 14.38 ? 70  GLY D CA  1 
ATOM   3174 C C   . GLY D 1 56  ? -1.832  3.452   -2.480  1.00 13.84 ? 70  GLY D C   1 
ATOM   3175 O O   . GLY D 1 56  ? -2.932  3.124   -2.029  1.00 14.24 ? 70  GLY D O   1 
ATOM   3176 N N   . THR D 1 57  ? -0.961  2.571   -2.976  1.00 12.71 ? 71  THR D N   1 
ATOM   3177 C CA  . THR D 1 57  ? -1.227  1.140   -3.082  1.00 13.23 ? 71  THR D CA  1 
ATOM   3178 C C   . THR D 1 57  ? -0.449  0.406   -1.996  1.00 12.01 ? 71  THR D C   1 
ATOM   3179 O O   . THR D 1 57  ? 0.785   0.414   -1.998  1.00 12.01 ? 71  THR D O   1 
ATOM   3180 C CB  . THR D 1 57  ? -0.794  0.632   -4.460  1.00 13.67 ? 71  THR D CB  1 
ATOM   3181 O OG1 . THR D 1 57  ? -1.575  1.273   -5.478  1.00 14.49 ? 71  THR D OG1 1 
ATOM   3182 C CG2 . THR D 1 57  ? -0.991  -0.872  -4.565  1.00 14.47 ? 71  THR D CG2 1 
ATOM   3183 N N   . ALA D 1 58  ? -1.161  -0.239  -1.077  1.00 11.98 ? 72  ALA D N   1 
ATOM   3184 C CA  . ALA D 1 58  ? -0.495  -0.908  0.040   1.00 11.36 ? 72  ALA D CA  1 
ATOM   3185 C C   . ALA D 1 58  ? 0.209   -2.187  -0.416  1.00 12.03 ? 72  ALA D C   1 
ATOM   3186 O O   . ALA D 1 58  ? -0.281  -2.906  -1.297  1.00 13.28 ? 72  ALA D O   1 
ATOM   3187 C CB  . ALA D 1 58  ? -1.518  -1.236  1.130   1.00 13.17 ? 72  ALA D CB  1 
ATOM   3188 N N   A LEU D 1 59  ? 1.361   -2.468  0.198   0.54 11.69 ? 73  LEU D N   1 
ATOM   3189 N N   B LEU D 1 59  ? 1.377   -2.463  0.175   0.46 11.48 ? 73  LEU D N   1 
ATOM   3190 C CA  A LEU D 1 59  ? 2.170   -3.622  -0.175  0.54 11.39 ? 73  LEU D CA  1 
ATOM   3191 C CA  B LEU D 1 59  ? 2.163   -3.633  -0.208  0.46 10.75 ? 73  LEU D CA  1 
ATOM   3192 C C   A LEU D 1 59  ? 3.074   -4.011  0.990   0.54 11.01 ? 73  LEU D C   1 
ATOM   3193 C C   B LEU D 1 59  ? 3.206   -3.929  0.863   0.46 11.06 ? 73  LEU D C   1 
ATOM   3194 O O   A LEU D 1 59  ? 3.189   -3.296  1.990   0.54 11.26 ? 73  LEU D O   1 
ATOM   3195 O O   B LEU D 1 59  ? 3.546   -3.069  1.683   0.46 11.36 ? 73  LEU D O   1 
ATOM   3196 C CB  A LEU D 1 59  ? 3.000   -3.335  -1.434  0.54 13.04 ? 73  LEU D CB  1 
ATOM   3197 C CB  B LEU D 1 59  ? 2.853   -3.436  -1.564  0.46 11.71 ? 73  LEU D CB  1 
ATOM   3198 C CG  A LEU D 1 59  ? 3.774   -2.014  -1.529  0.54 14.49 ? 73  LEU D CG  1 
ATOM   3199 C CG  B LEU D 1 59  ? 4.220   -2.750  -1.592  0.46 11.46 ? 73  LEU D CG  1 
ATOM   3200 C CD1 A LEU D 1 59  ? 4.994   -1.969  -0.616  0.54 14.11 ? 73  LEU D CD1 1 
ATOM   3201 C CD1 B LEU D 1 59  ? 4.824   -2.856  -2.981  0.46 11.20 ? 73  LEU D CD1 1 
ATOM   3202 C CD2 A LEU D 1 59  ? 4.190   -1.760  -2.966  0.54 15.63 ? 73  LEU D CD2 1 
ATOM   3203 C CD2 B LEU D 1 59  ? 4.114   -1.296  -1.178  0.46 11.76 ? 73  LEU D CD2 1 
ATOM   3204 N N   . GLY D 1 60  ? 3.714   -5.163  0.837   1.00 11.63 ? 74  GLY D N   1 
ATOM   3205 C CA  . GLY D 1 60  ? 4.807   -5.557  1.711   1.00 10.85 ? 74  GLY D CA  1 
ATOM   3206 C C   . GLY D 1 60  ? 5.562   -6.726  1.116   1.00 9.31  ? 74  GLY D C   1 
ATOM   3207 O O   . GLY D 1 60  ? 5.054   -7.430  0.235   1.00 10.60 ? 74  GLY D O   1 
ATOM   3208 N N   . TRP D 1 61  ? 6.795   -6.918  1.587   1.00 9.50  ? 75  TRP D N   1 
ATOM   3209 C CA  . TRP D 1 61  ? 7.586   -8.060  1.137   1.00 10.53 ? 75  TRP D CA  1 
ATOM   3210 C C   . TRP D 1 61  ? 8.625   -8.437  2.188   1.00 10.08 ? 75  TRP D C   1 
ATOM   3211 O O   . TRP D 1 61  ? 8.905   -7.674  3.117   1.00 10.75 ? 75  TRP D O   1 
ATOM   3212 C CB  . TRP D 1 61  ? 8.258   -7.830  -0.231  1.00 12.05 ? 75  TRP D CB  1 
ATOM   3213 C CG  . TRP D 1 61  ? 9.359   -6.807  -0.241  1.00 10.95 ? 75  TRP D CG  1 
ATOM   3214 C CD1 . TRP D 1 61  ? 10.705  -7.040  -0.074  1.00 11.87 ? 75  TRP D CD1 1 
ATOM   3215 C CD2 . TRP D 1 61  ? 9.225   -5.397  -0.480  1.00 11.90 ? 75  TRP D CD2 1 
ATOM   3216 N NE1 . TRP D 1 61  ? 11.405  -5.860  -0.186  1.00 12.48 ? 75  TRP D NE1 1 
ATOM   3217 C CE2 . TRP D 1 61  ? 10.526  -4.839  -0.440  1.00 12.34 ? 75  TRP D CE2 1 
ATOM   3218 C CE3 . TRP D 1 61  ? 8.139   -4.554  -0.739  1.00 13.33 ? 75  TRP D CE3 1 
ATOM   3219 C CZ2 . TRP D 1 61  ? 10.757  -3.473  -0.610  1.00 11.69 ? 75  TRP D CZ2 1 
ATOM   3220 C CZ3 . TRP D 1 61  ? 8.375   -3.198  -0.911  1.00 14.58 ? 75  TRP D CZ3 1 
ATOM   3221 C CH2 . TRP D 1 61  ? 9.676   -2.674  -0.852  1.00 13.87 ? 75  TRP D CH2 1 
ATOM   3222 N N   . THR D 1 62  ? 9.171   -9.644  2.037   1.00 10.00 ? 76  THR D N   1 
ATOM   3223 C CA  . THR D 1 62  ? 10.171  -10.200 2.941   1.00 10.69 ? 76  THR D CA  1 
ATOM   3224 C C   . THR D 1 62  ? 11.394  -10.674 2.164   1.00 10.29 ? 76  THR D C   1 
ATOM   3225 O O   . THR D 1 62  ? 11.264  -11.223 1.066   1.00 11.40 ? 76  THR D O   1 
ATOM   3226 C CB  . THR D 1 62  ? 9.593   -11.414 3.685   1.00 10.90 ? 76  THR D CB  1 
ATOM   3227 O OG1 . THR D 1 62  ? 8.399   -11.033 4.371   1.00 11.32 ? 76  THR D OG1 1 
ATOM   3228 C CG2 . THR D 1 62  ? 10.586  -11.961 4.696   1.00 11.06 ? 76  THR D CG2 1 
ATOM   3229 N N   . VAL D 1 63  ? 12.577  -10.476 2.757   1.00 10.78 ? 77  VAL D N   1 
ATOM   3230 C CA  . VAL D 1 63  ? 13.822  -11.112 2.339   1.00 12.23 ? 77  VAL D CA  1 
ATOM   3231 C C   . VAL D 1 63  ? 14.419  -11.801 3.559   1.00 12.85 ? 77  VAL D C   1 
ATOM   3232 O O   . VAL D 1 63  ? 14.685  -11.140 4.568   1.00 14.40 ? 77  VAL D O   1 
ATOM   3233 C CB  . VAL D 1 63  ? 14.841  -10.090 1.805   1.00 13.79 ? 77  VAL D CB  1 
ATOM   3234 C CG1 . VAL D 1 63  ? 16.168  -10.771 1.543   1.00 13.96 ? 77  VAL D CG1 1 
ATOM   3235 C CG2 . VAL D 1 63  ? 14.346  -9.412  0.550   1.00 12.35 ? 77  VAL D CG2 1 
ATOM   3236 N N   . ALA D 1 64  ? 14.645  -13.113 3.468   1.00 12.16 ? 78  ALA D N   1 
ATOM   3237 C CA  . ALA D 1 64  ? 15.508  -13.808 4.416   1.00 12.95 ? 78  ALA D CA  1 
ATOM   3238 C C   . ALA D 1 64  ? 16.935  -13.733 3.893   1.00 13.30 ? 78  ALA D C   1 
ATOM   3239 O O   . ALA D 1 64  ? 17.191  -14.028 2.720   1.00 12.98 ? 78  ALA D O   1 
ATOM   3240 C CB  . ALA D 1 64  ? 15.107  -15.272 4.582   1.00 13.69 ? 78  ALA D CB  1 
ATOM   3241 N N   . TRP D 1 65  ? 17.864  -13.354 4.763   1.00 12.54 ? 79  TRP D N   1 
ATOM   3242 C CA  . TRP D 1 65  ? 19.228  -13.069 4.333   1.00 12.53 ? 79  TRP D CA  1 
ATOM   3243 C C   . TRP D 1 65  ? 20.073  -14.335 4.231   1.00 13.65 ? 79  TRP D C   1 
ATOM   3244 O O   . TRP D 1 65  ? 21.188  -14.403 4.764   1.00 14.98 ? 79  TRP D O   1 
ATOM   3245 C CB  . TRP D 1 65  ? 19.843  -11.994 5.235   1.00 13.19 ? 79  TRP D CB  1 
ATOM   3246 C CG  . TRP D 1 65  ? 19.062  -10.712 5.189   1.00 14.12 ? 79  TRP D CG  1 
ATOM   3247 C CD1 . TRP D 1 65  ? 18.244  -10.207 6.166   1.00 14.78 ? 79  TRP D CD1 1 
ATOM   3248 C CD2 . TRP D 1 65  ? 18.976  -9.795  4.085   1.00 14.43 ? 79  TRP D CD2 1 
ATOM   3249 N NE1 . TRP D 1 65  ? 17.681  -9.026  5.743   1.00 14.11 ? 79  TRP D NE1 1 
ATOM   3250 C CE2 . TRP D 1 65  ? 18.109  -8.754  4.470   1.00 14.78 ? 79  TRP D CE2 1 
ATOM   3251 C CE3 . TRP D 1 65  ? 19.553  -9.754  2.811   1.00 13.33 ? 79  TRP D CE3 1 
ATOM   3252 C CZ2 . TRP D 1 65  ? 17.814  -7.677  3.630   1.00 14.81 ? 79  TRP D CZ2 1 
ATOM   3253 C CZ3 . TRP D 1 65  ? 19.266  -8.681  1.984   1.00 13.68 ? 79  TRP D CZ3 1 
ATOM   3254 C CH2 . TRP D 1 65  ? 18.399  -7.661  2.394   1.00 15.24 ? 79  TRP D CH2 1 
ATOM   3255 N N   . LYS D 1 66  ? 19.548  -15.340 3.535   1.00 13.70 ? 80  LYS D N   1 
ATOM   3256 C CA  . LYS D 1 66  ? 20.285  -16.538 3.167   1.00 13.39 ? 80  LYS D CA  1 
ATOM   3257 C C   . LYS D 1 66  ? 20.221  -16.689 1.657   1.00 12.97 ? 80  LYS D C   1 
ATOM   3258 O O   . LYS D 1 66  ? 19.140  -16.596 1.064   1.00 13.53 ? 80  LYS D O   1 
ATOM   3259 C CB  . LYS D 1 66  ? 19.673  -17.782 3.820   1.00 15.67 ? 80  LYS D CB  1 
ATOM   3260 C CG  . LYS D 1 66  ? 20.325  -19.092 3.399   1.00 17.73 ? 80  LYS D CG  1 
ATOM   3261 C CD  . LYS D 1 66  ? 19.602  -20.297 3.995   1.00 21.52 ? 80  LYS D CD  1 
ATOM   3262 C CE  . LYS D 1 66  ? 20.283  -21.606 3.620   1.00 25.17 ? 80  LYS D CE  1 
ATOM   3263 N NZ  . LYS D 1 66  ? 20.436  -21.763 2.145   1.00 27.99 ? 80  LYS D NZ  1 
ATOM   3264 N N   . ASN D 1 67  ? 21.380  -16.905 1.033   1.00 14.12 ? 81  ASN D N   1 
ATOM   3265 C CA  . ASN D 1 67  ? 21.420  -17.319 -0.365  1.00 14.71 ? 81  ASN D CA  1 
ATOM   3266 C C   . ASN D 1 67  ? 22.366  -18.508 -0.493  1.00 15.62 ? 81  ASN D C   1 
ATOM   3267 O O   . ASN D 1 67  ? 22.730  -19.116 0.521   1.00 16.45 ? 81  ASN D O   1 
ATOM   3268 C CB  . ASN D 1 67  ? 21.762  -16.143 -1.291  1.00 14.35 ? 81  ASN D CB  1 
ATOM   3269 C CG  . ASN D 1 67  ? 23.109  -15.516 -0.989  1.00 15.00 ? 81  ASN D CG  1 
ATOM   3270 O OD1 . ASN D 1 67  ? 23.982  -16.141 -0.401  1.00 14.59 ? 81  ASN D OD1 1 
ATOM   3271 N ND2 . ASN D 1 67  ? 23.280  -14.265 -1.403  1.00 15.91 ? 81  ASN D ND2 1 
ATOM   3272 N N   . ASN D 1 68  ? 22.774  -18.856 -1.716  1.00 16.37 ? 82  ASN D N   1 
ATOM   3273 C CA  . ASN D 1 68  ? 23.651  -20.010 -1.896  1.00 18.53 ? 82  ASN D CA  1 
ATOM   3274 C C   . ASN D 1 68  ? 25.054  -19.790 -1.347  1.00 18.29 ? 82  ASN D C   1 
ATOM   3275 O O   . ASN D 1 68  ? 25.825  -20.752 -1.277  1.00 20.92 ? 82  ASN D O   1 
ATOM   3276 C CB  . ASN D 1 68  ? 23.726  -20.406 -3.375  1.00 21.06 ? 82  ASN D CB  1 
ATOM   3277 C CG  . ASN D 1 68  ? 22.400  -20.922 -3.901  1.00 27.31 ? 82  ASN D CG  1 
ATOM   3278 O OD1 . ASN D 1 68  ? 21.556  -21.384 -3.132  1.00 29.93 ? 82  ASN D OD1 1 
ATOM   3279 N ND2 . ASN D 1 68  ? 22.209  -20.843 -5.211  1.00 30.99 ? 82  ASN D ND2 1 
ATOM   3280 N N   . TYR D 1 69  ? 25.388  -18.571 -0.931  1.00 16.54 ? 83  TYR D N   1 
ATOM   3281 C CA  . TYR D 1 69  ? 26.756  -18.202 -0.606  1.00 16.25 ? 83  TYR D CA  1 
ATOM   3282 C C   . TYR D 1 69  ? 26.951  -17.762 0.834   1.00 16.42 ? 83  TYR D C   1 
ATOM   3283 O O   . TYR D 1 69  ? 28.059  -17.903 1.360   1.00 18.18 ? 83  TYR D O   1 
ATOM   3284 C CB  . TYR D 1 69  ? 27.219  -17.071 -1.540  1.00 17.65 ? 83  TYR D CB  1 
ATOM   3285 C CG  . TYR D 1 69  ? 26.884  -17.351 -2.984  1.00 18.38 ? 83  TYR D CG  1 
ATOM   3286 C CD1 . TYR D 1 69  ? 27.675  -18.200 -3.745  1.00 20.17 ? 83  TYR D CD1 1 
ATOM   3287 C CD2 . TYR D 1 69  ? 25.760  -16.790 -3.579  1.00 19.77 ? 83  TYR D CD2 1 
ATOM   3288 C CE1 . TYR D 1 69  ? 27.361  -18.474 -5.062  1.00 22.25 ? 83  TYR D CE1 1 
ATOM   3289 C CE2 . TYR D 1 69  ? 25.438  -17.059 -4.896  1.00 20.86 ? 83  TYR D CE2 1 
ATOM   3290 C CZ  . TYR D 1 69  ? 26.239  -17.900 -5.631  1.00 22.03 ? 83  TYR D CZ  1 
ATOM   3291 O OH  . TYR D 1 69  ? 25.919  -18.172 -6.946  1.00 23.71 ? 83  TYR D OH  1 
ATOM   3292 N N   A ARG D 1 70  ? 25.905  -17.247 1.484   0.70 14.92 ? 84  ARG D N   1 
ATOM   3293 N N   B ARG D 1 70  ? 25.922  -17.230 1.485   0.30 15.77 ? 84  ARG D N   1 
ATOM   3294 C CA  A ARG D 1 70  ? 26.007  -16.614 2.795   0.70 16.31 ? 84  ARG D CA  1 
ATOM   3295 C CA  B ARG D 1 70  ? 26.068  -16.781 2.860   0.30 15.97 ? 84  ARG D CA  1 
ATOM   3296 C C   A ARG D 1 70  ? 24.697  -16.816 3.550   0.70 15.73 ? 84  ARG D C   1 
ATOM   3297 C C   B ARG D 1 70  ? 24.717  -16.822 3.556   0.30 16.02 ? 84  ARG D C   1 
ATOM   3298 O O   A ARG D 1 70  ? 23.642  -17.034 2.949   0.70 15.52 ? 84  ARG D O   1 
ATOM   3299 O O   B ARG D 1 70  ? 23.664  -16.928 2.923   0.30 15.98 ? 84  ARG D O   1 
ATOM   3300 C CB  A ARG D 1 70  ? 26.265  -15.106 2.649   0.70 17.80 ? 84  ARG D CB  1 
ATOM   3301 C CB  B ARG D 1 70  ? 26.682  -15.381 2.943   0.30 16.45 ? 84  ARG D CB  1 
ATOM   3302 C CG  A ARG D 1 70  ? 27.496  -14.740 1.821   0.70 19.55 ? 84  ARG D CG  1 
ATOM   3303 C CG  B ARG D 1 70  ? 25.905  -14.302 2.209   0.30 16.78 ? 84  ARG D CG  1 
ATOM   3304 C CD  A ARG D 1 70  ? 27.334  -13.400 1.121   0.70 20.25 ? 84  ARG D CD  1 
ATOM   3305 C CD  B ARG D 1 70  ? 26.558  -12.953 2.442   0.30 18.51 ? 84  ARG D CD  1 
ATOM   3306 N NE  A ARG D 1 70  ? 27.546  -12.275 2.022   0.70 19.63 ? 84  ARG D NE  1 
ATOM   3307 N NE  B ARG D 1 70  ? 26.148  -11.945 1.474   0.30 20.34 ? 84  ARG D NE  1 
ATOM   3308 C CZ  A ARG D 1 70  ? 27.393  -11.004 1.678   0.70 19.40 ? 84  ARG D CZ  1 
ATOM   3309 C CZ  B ARG D 1 70  ? 26.717  -10.753 1.357   0.30 21.09 ? 84  ARG D CZ  1 
ATOM   3310 N NH1 A ARG D 1 70  ? 26.986  -10.661 0.465   0.70 19.95 ? 84  ARG D NH1 1 
ATOM   3311 N NH1 B ARG D 1 70  ? 27.723  -10.388 2.135   0.30 21.79 ? 84  ARG D NH1 1 
ATOM   3312 N NH2 A ARG D 1 70  ? 27.654  -10.054 2.573   0.70 20.01 ? 84  ARG D NH2 1 
ATOM   3313 N NH2 B ARG D 1 70  ? 26.268  -9.907  0.434   0.30 21.06 ? 84  ARG D NH2 1 
ATOM   3314 N N   . ASN D 1 71  ? 24.766  -16.727 4.881   1.00 16.26 ? 85  ASN D N   1 
ATOM   3315 C CA  . ASN D 1 71  ? 23.557  -16.783 5.703   1.00 16.67 ? 85  ASN D CA  1 
ATOM   3316 C C   . ASN D 1 71  ? 23.779  -15.931 6.945   1.00 16.80 ? 85  ASN D C   1 
ATOM   3317 O O   . ASN D 1 71  ? 24.622  -16.268 7.783   1.00 19.49 ? 85  ASN D O   1 
ATOM   3318 C CB  . ASN D 1 71  ? 23.228  -18.223 6.090   1.00 16.61 ? 85  ASN D CB  1 
ATOM   3319 C CG  . ASN D 1 71  ? 21.858  -18.355 6.723   1.00 16.23 ? 85  ASN D CG  1 
ATOM   3320 O OD1 . ASN D 1 71  ? 21.213  -17.360 7.038   1.00 16.58 ? 85  ASN D OD1 1 
ATOM   3321 N ND2 . ASN D 1 71  ? 21.417  -19.590 6.923   1.00 16.44 ? 85  ASN D ND2 1 
ATOM   3322 N N   . ALA D 1 72  ? 23.034  -14.836 7.064   1.00 15.51 ? 86  ALA D N   1 
ATOM   3323 C CA  . ALA D 1 72  ? 23.114  -13.966 8.231   1.00 15.93 ? 86  ALA D CA  1 
ATOM   3324 C C   . ALA D 1 72  ? 22.102  -14.312 9.317   1.00 15.72 ? 86  ALA D C   1 
ATOM   3325 O O   . ALA D 1 72  ? 22.037  -13.600 10.325  1.00 17.73 ? 86  ALA D O   1 
ATOM   3326 C CB  . ALA D 1 72  ? 22.971  -12.496 7.824   1.00 17.26 ? 86  ALA D CB  1 
ATOM   3327 N N   . HIS D 1 73  ? 21.323  -15.380 9.140   1.00 15.78 ? 87  HIS D N   1 
ATOM   3328 C CA  . HIS D 1 73  ? 20.355  -15.827 10.144  1.00 15.11 ? 87  HIS D CA  1 
ATOM   3329 C C   . HIS D 1 73  ? 19.428  -14.690 10.566  1.00 14.83 ? 87  HIS D C   1 
ATOM   3330 O O   . HIS D 1 73  ? 19.303  -14.364 11.749  1.00 15.56 ? 87  HIS D O   1 
ATOM   3331 C CB  . HIS D 1 73  ? 21.051  -16.466 11.353  1.00 16.17 ? 87  HIS D CB  1 
ATOM   3332 C CG  . HIS D 1 73  ? 21.956  -17.603 10.995  1.00 16.47 ? 87  HIS D CG  1 
ATOM   3333 N ND1 . HIS D 1 73  ? 21.538  -18.686 10.251  1.00 17.18 ? 87  HIS D ND1 1 
ATOM   3334 C CD2 . HIS D 1 73  ? 23.260  -17.825 11.282  1.00 17.17 ? 87  HIS D CD2 1 
ATOM   3335 C CE1 . HIS D 1 73  ? 22.548  -19.524 10.091  1.00 17.18 ? 87  HIS D CE1 1 
ATOM   3336 N NE2 . HIS D 1 73  ? 23.603  -19.027 10.711  1.00 17.79 ? 87  HIS D NE2 1 
ATOM   3337 N N   . SER D 1 74  ? 18.781  -14.076 9.576   1.00 15.49 ? 88  SER D N   1 
ATOM   3338 C CA  . SER D 1 74  ? 17.970  -12.889 9.803   1.00 13.76 ? 88  SER D CA  1 
ATOM   3339 C C   . SER D 1 74  ? 17.033  -12.706 8.620   1.00 12.95 ? 88  SER D C   1 
ATOM   3340 O O   . SER D 1 74  ? 17.217  -13.306 7.557   1.00 14.02 ? 88  SER D O   1 
ATOM   3341 C CB  . SER D 1 74  ? 18.826  -11.636 10.020  1.00 16.21 ? 88  SER D CB  1 
ATOM   3342 O OG  . SER D 1 74  ? 19.663  -11.392 8.903   1.00 17.85 ? 88  SER D OG  1 
ATOM   3343 N N   . ALA D 1 75  ? 16.022  -11.863 8.816   1.00 13.29 ? 89  ALA D N   1 
ATOM   3344 C CA  . ALA D 1 75  ? 15.071  -11.568 7.755   1.00 13.53 ? 89  ALA D CA  1 
ATOM   3345 C C   . ALA D 1 75  ? 14.526  -10.163 7.951   1.00 11.63 ? 89  ALA D C   1 
ATOM   3346 O O   . ALA D 1 75  ? 14.325  -9.729  9.089   1.00 12.33 ? 89  ALA D O   1 
ATOM   3347 C CB  . ALA D 1 75  ? 13.916  -12.568 7.771   1.00 15.44 ? 89  ALA D CB  1 
ATOM   3348 N N   . THR D 1 76  ? 14.274  -9.465  6.842   1.00 11.92 ? 90  THR D N   1 
ATOM   3349 C CA  . THR D 1 76  ? 13.708  -8.123  6.854   1.00 11.37 ? 90  THR D CA  1 
ATOM   3350 C C   . THR D 1 76  ? 12.347  -8.144  6.178   1.00 10.43 ? 90  THR D C   1 
ATOM   3351 O O   . THR D 1 76  ? 12.186  -8.777  5.129   1.00 11.26 ? 90  THR D O   1 
ATOM   3352 C CB  . THR D 1 76  ? 14.618  -7.148  6.096   1.00 12.51 ? 90  THR D CB  1 
ATOM   3353 O OG1 . THR D 1 76  ? 15.888  -7.102  6.748   1.00 12.34 ? 90  THR D OG1 1 
ATOM   3354 C CG2 . THR D 1 76  ? 14.035  -5.753  6.078   1.00 12.10 ? 90  THR D CG2 1 
ATOM   3355 N N   . THR D 1 77  ? 11.363  -7.474  6.788   1.00 10.33 ? 91  THR D N   1 
ATOM   3356 C CA  . THR D 1 77  ? 10.097  -7.186  6.122   1.00 10.28 ? 91  THR D CA  1 
ATOM   3357 C C   . THR D 1 77  ? 9.950   -5.688  5.895   1.00 10.40 ? 91  THR D C   1 
ATOM   3358 O O   . THR D 1 77  ? 10.220  -4.886  6.794   1.00 12.81 ? 91  THR D O   1 
ATOM   3359 C CB  . THR D 1 77  ? 8.883   -7.691  6.921   1.00 11.00 ? 91  THR D CB  1 
ATOM   3360 O OG1 . THR D 1 77  ? 8.760   -6.987  8.171   1.00 11.89 ? 91  THR D OG1 1 
ATOM   3361 C CG2 . THR D 1 77  ? 8.987   -9.179  7.176   1.00 13.29 ? 91  THR D CG2 1 
ATOM   3362 N N   . TRP D 1 78  ? 9.496   -5.314  4.701   1.00 10.55 ? 92  TRP D N   1 
ATOM   3363 C CA  . TRP D 1 78  ? 9.179   -3.930  4.381   1.00 10.27 ? 92  TRP D CA  1 
ATOM   3364 C C   . TRP D 1 78  ? 7.673   -3.804  4.228   1.00 10.53 ? 92  TRP D C   1 
ATOM   3365 O O   . TRP D 1 78  ? 7.050   -4.612  3.532   1.00 11.33 ? 92  TRP D O   1 
ATOM   3366 C CB  . TRP D 1 78  ? 9.805   -3.509  3.050   1.00 11.45 ? 92  TRP D CB  1 
ATOM   3367 C CG  . TRP D 1 78  ? 11.291  -3.330  2.989   1.00 11.68 ? 92  TRP D CG  1 
ATOM   3368 C CD1 . TRP D 1 78  ? 11.964  -2.148  2.982   1.00 11.70 ? 92  TRP D CD1 1 
ATOM   3369 C CD2 . TRP D 1 78  ? 12.275  -4.361  2.842   1.00 12.89 ? 92  TRP D CD2 1 
ATOM   3370 N NE1 . TRP D 1 78  ? 13.322  -2.375  2.856   1.00 11.31 ? 92  TRP D NE1 1 
ATOM   3371 C CE2 . TRP D 1 78  ? 13.534  -3.727  2.766   1.00 11.22 ? 92  TRP D CE2 1 
ATOM   3372 C CE3 . TRP D 1 78  ? 12.216  -5.759  2.773   1.00 12.20 ? 92  TRP D CE3 1 
ATOM   3373 C CZ2 . TRP D 1 78  ? 14.730  -4.444  2.604   1.00 11.84 ? 92  TRP D CZ2 1 
ATOM   3374 C CZ3 . TRP D 1 78  ? 13.399  -6.469  2.617   1.00 11.01 ? 92  TRP D CZ3 1 
ATOM   3375 C CH2 . TRP D 1 78  ? 14.646  -5.810  2.546   1.00 12.52 ? 92  TRP D CH2 1 
ATOM   3376 N N   . SER D 1 79  ? 7.099   -2.778  4.856   1.00 10.05 ? 93  SER D N   1 
ATOM   3377 C CA  . SER D 1 79  ? 5.665   -2.507  4.801   1.00 10.38 ? 93  SER D CA  1 
ATOM   3378 C C   . SER D 1 79  ? 5.477   -1.071  4.331   1.00 10.11 ? 93  SER D C   1 
ATOM   3379 O O   . SER D 1 79  ? 6.078   -0.155  4.894   1.00 11.71 ? 93  SER D O   1 
ATOM   3380 C CB  . SER D 1 79  ? 5.061   -2.683  6.205   1.00 11.30 ? 93  SER D CB  1 
ATOM   3381 O OG  . SER D 1 79  ? 3.659   -2.465  6.199   1.00 12.68 ? 93  SER D OG  1 
ATOM   3382 N N   . GLY D 1 80  ? 4.660   -0.858  3.309   1.00 10.59 ? 94  GLY D N   1 
ATOM   3383 C CA  . GLY D 1 80  ? 4.547   0.492   2.804   1.00 11.75 ? 94  GLY D CA  1 
ATOM   3384 C C   . GLY D 1 80  ? 3.486   0.667   1.745   1.00 10.95 ? 94  GLY D C   1 
ATOM   3385 O O   . GLY D 1 80  ? 2.498   -0.069  1.693   1.00 11.64 ? 94  GLY D O   1 
ATOM   3386 N N   . GLN D 1 81  ? 3.669   1.703   0.929   1.00 11.23 ? 95  GLN D N   1 
ATOM   3387 C CA  . GLN D 1 81  ? 2.742   1.966   -0.160  1.00 13.22 ? 95  GLN D CA  1 
ATOM   3388 C C   . GLN D 1 81  ? 3.475   2.494   -1.380  1.00 13.28 ? 95  GLN D C   1 
ATOM   3389 O O   . GLN D 1 81  ? 4.494   3.183   -1.272  1.00 13.56 ? 95  GLN D O   1 
ATOM   3390 C CB  . GLN D 1 81  ? 1.565   2.874   0.235   1.00 16.08 ? 95  GLN D CB  1 
ATOM   3391 C CG  . GLN D 1 81  ? 1.918   4.219   0.829   1.00 17.25 ? 95  GLN D CG  1 
ATOM   3392 C CD  . GLN D 1 81  ? 0.668   4.951   1.318   1.00 16.08 ? 95  GLN D CD  1 
ATOM   3393 O OE1 . GLN D 1 81  ? -0.358  4.983   0.624   1.00 14.34 ? 95  GLN D OE1 1 
ATOM   3394 N NE2 . GLN D 1 81  ? 0.738   5.520   2.521   1.00 16.65 ? 95  GLN D NE2 1 
ATOM   3395 N N   . TYR D 1 82  ? 2.950   2.120   -2.540  1.00 13.41 ? 96  TYR D N   1 
ATOM   3396 C CA  . TYR D 1 82  ? 3.432   2.598   -3.826  1.00 13.62 ? 96  TYR D CA  1 
ATOM   3397 C C   . TYR D 1 82  ? 2.610   3.807   -4.245  1.00 15.42 ? 96  TYR D C   1 
ATOM   3398 O O   . TYR D 1 82  ? 1.380   3.811   -4.119  1.00 15.97 ? 96  TYR D O   1 
ATOM   3399 C CB  . TYR D 1 82  ? 3.294   1.494   -4.879  1.00 14.41 ? 96  TYR D CB  1 
ATOM   3400 C CG  . TYR D 1 82  ? 3.257   1.980   -6.318  1.00 15.60 ? 96  TYR D CG  1 
ATOM   3401 C CD1 . TYR D 1 82  ? 4.428   2.277   -7.012  1.00 16.68 ? 96  TYR D CD1 1 
ATOM   3402 C CD2 . TYR D 1 82  ? 2.046   2.145   -6.983  1.00 18.06 ? 96  TYR D CD2 1 
ATOM   3403 C CE1 . TYR D 1 82  ? 4.392   2.727   -8.328  1.00 18.56 ? 96  TYR D CE1 1 
ATOM   3404 C CE2 . TYR D 1 82  ? 2.004   2.591   -8.300  1.00 18.96 ? 96  TYR D CE2 1 
ATOM   3405 C CZ  . TYR D 1 82  ? 3.181   2.882   -8.962  1.00 19.06 ? 96  TYR D CZ  1 
ATOM   3406 O OH  . TYR D 1 82  ? 3.144   3.326   -10.268 1.00 21.22 ? 96  TYR D OH  1 
ATOM   3407 N N   . VAL D 1 83  ? 3.302   4.831   -4.735  1.00 16.96 ? 97  VAL D N   1 
ATOM   3408 C CA  . VAL D 1 83  ? 2.698   6.061   -5.228  1.00 21.11 ? 97  VAL D CA  1 
ATOM   3409 C C   . VAL D 1 83  ? 3.218   6.281   -6.644  1.00 21.85 ? 97  VAL D C   1 
ATOM   3410 O O   . VAL D 1 83  ? 4.431   6.412   -6.849  1.00 21.24 ? 97  VAL D O   1 
ATOM   3411 C CB  . VAL D 1 83  ? 3.050   7.258   -4.326  1.00 24.05 ? 97  VAL D CB  1 
ATOM   3412 C CG1 . VAL D 1 83  ? 2.498   8.550   -4.905  1.00 25.57 ? 97  VAL D CG1 1 
ATOM   3413 C CG2 . VAL D 1 83  ? 2.550   7.028   -2.902  1.00 25.20 ? 97  VAL D CG2 1 
ATOM   3414 N N   . GLY D 1 84  ? 2.313   6.311   -7.619  1.00 25.04 ? 98  GLY D N   1 
ATOM   3415 C CA  . GLY D 1 84  ? 2.701   6.393   -9.011  1.00 26.36 ? 98  GLY D CA  1 
ATOM   3416 C C   . GLY D 1 84  ? 2.995   7.812   -9.462  1.00 28.52 ? 98  GLY D C   1 
ATOM   3417 O O   . GLY D 1 84  ? 3.039   8.760   -8.676  1.00 30.66 ? 98  GLY D O   1 
ATOM   3418 N N   . GLY D 1 85  ? 3.202   7.951   -10.767 1.00 30.23 ? 99  GLY D N   1 
ATOM   3419 C CA  . GLY D 1 85  ? 3.418   9.241   -11.394 1.00 29.92 ? 99  GLY D CA  1 
ATOM   3420 C C   . GLY D 1 85  ? 4.830   9.392   -11.931 1.00 30.30 ? 99  GLY D C   1 
ATOM   3421 O O   . GLY D 1 85  ? 5.635   8.455   -11.947 1.00 30.06 ? 99  GLY D O   1 
ATOM   3422 N N   . ALA D 1 86  ? 5.124   10.616  -12.381 1.00 30.18 ? 100 ALA D N   1 
ATOM   3423 C CA  . ALA D 1 86  ? 6.443   10.910  -12.929 1.00 30.79 ? 100 ALA D CA  1 
ATOM   3424 C C   . ALA D 1 86  ? 7.527   10.785  -11.871 1.00 31.03 ? 100 ALA D C   1 
ATOM   3425 O O   . ALA D 1 86  ? 8.681   10.482  -12.197 1.00 31.86 ? 100 ALA D O   1 
ATOM   3426 C CB  . ALA D 1 86  ? 6.458   12.309  -13.544 1.00 31.83 ? 100 ALA D CB  1 
ATOM   3427 N N   . GLU D 1 87  ? 7.178   11.013  -10.605 1.00 30.40 ? 101 GLU D N   1 
ATOM   3428 C CA  . GLU D 1 87  ? 8.109   10.825  -9.503  1.00 30.00 ? 101 GLU D CA  1 
ATOM   3429 C C   . GLU D 1 87  ? 7.607   9.676   -8.637  1.00 27.35 ? 101 GLU D C   1 
ATOM   3430 O O   . GLU D 1 87  ? 7.344   9.854   -7.442  1.00 28.27 ? 101 GLU D O   1 
ATOM   3431 C CB  . GLU D 1 87  ? 8.228   12.108  -8.676  1.00 31.96 ? 101 GLU D CB  1 
ATOM   3432 C CG  . GLU D 1 87  ? 8.224   13.396  -9.491  0.73 32.55 ? 101 GLU D CG  1 
ATOM   3433 C CD  . GLU D 1 87  ? 9.441   13.546  -10.388 0.64 33.30 ? 101 GLU D CD  1 
ATOM   3434 O OE1 . GLU D 1 87  ? 10.438  12.823  -10.181 0.42 33.80 ? 101 GLU D OE1 1 
ATOM   3435 O OE2 . GLU D 1 87  ? 9.399   14.395  -11.303 0.34 33.62 ? 101 GLU D OE2 1 
ATOM   3436 N N   . ALA D 1 88  ? 7.461   8.498   -9.242  1.00 24.30 ? 102 ALA D N   1 
ATOM   3437 C CA  . ALA D 1 88  ? 6.926   7.342   -8.536  1.00 22.01 ? 102 ALA D CA  1 
ATOM   3438 C C   . ALA D 1 88  ? 7.823   6.966   -7.365  1.00 18.88 ? 102 ALA D C   1 
ATOM   3439 O O   . ALA D 1 88  ? 9.046   7.101   -7.421  1.00 18.21 ? 102 ALA D O   1 
ATOM   3440 C CB  . ALA D 1 88  ? 6.813   6.155   -9.490  1.00 22.36 ? 102 ALA D CB  1 
ATOM   3441 N N   . ARG D 1 89  ? 7.199   6.488   -6.292  1.00 16.74 ? 103 ARG D N   1 
ATOM   3442 C CA  . ARG D 1 89  ? 7.920   6.139   -5.077  1.00 15.99 ? 103 ARG D CA  1 
ATOM   3443 C C   . ARG D 1 89  ? 7.284   4.915   -4.440  1.00 15.31 ? 103 ARG D C   1 
ATOM   3444 O O   . ARG D 1 89  ? 6.074   4.709   -4.529  1.00 16.20 ? 103 ARG D O   1 
ATOM   3445 C CB  . ARG D 1 89  ? 7.811   7.247   -4.017  1.00 19.90 ? 103 ARG D CB  1 
ATOM   3446 C CG  . ARG D 1 89  ? 8.416   8.578   -4.382  0.64 21.80 ? 103 ARG D CG  1 
ATOM   3447 C CD  . ARG D 1 89  ? 9.911   8.558   -4.171  0.68 24.03 ? 103 ARG D CD  1 
ATOM   3448 N NE  . ARG D 1 89  ? 10.520  9.864   -4.393  1.00 26.64 ? 103 ARG D NE  1 
ATOM   3449 C CZ  . ARG D 1 89  ? 10.780  10.376  -5.588  0.62 26.12 ? 103 ARG D CZ  1 
ATOM   3450 N NH1 . ARG D 1 89  ? 10.485  9.720   -6.700  0.80 26.22 ? 103 ARG D NH1 1 
ATOM   3451 N NH2 . ARG D 1 89  ? 11.345  11.577  -5.670  0.62 25.81 ? 103 ARG D NH2 1 
ATOM   3452 N N   . ILE D 1 90  ? 8.102   4.124   -3.762  1.00 13.33 ? 104 ILE D N   1 
ATOM   3453 C CA  . ILE D 1 90  ? 7.612   3.167   -2.779  1.00 12.74 ? 104 ILE D CA  1 
ATOM   3454 C C   . ILE D 1 90  ? 8.165   3.604   -1.427  1.00 12.59 ? 104 ILE D C   1 
ATOM   3455 O O   . ILE D 1 90  ? 9.385   3.598   -1.214  1.00 13.09 ? 104 ILE D O   1 
ATOM   3456 C CB  . ILE D 1 90  ? 7.989   1.717   -3.115  1.00 13.50 ? 104 ILE D CB  1 
ATOM   3457 C CG1 . ILE D 1 90  ? 7.507   1.341   -4.525  1.00 15.39 ? 104 ILE D CG1 1 
ATOM   3458 C CG2 . ILE D 1 90  ? 7.444   0.761   -2.053  1.00 15.26 ? 104 ILE D CG2 1 
ATOM   3459 C CD1 . ILE D 1 90  ? 7.863   -0.073  -4.937  1.00 15.53 ? 104 ILE D CD1 1 
ATOM   3460 N N   . ASN D 1 91  ? 7.271   4.010   -0.526  1.00 12.07 ? 105 ASN D N   1 
ATOM   3461 C CA  . ASN D 1 91  ? 7.640   4.521   0.790   1.00 12.89 ? 105 ASN D CA  1 
ATOM   3462 C C   . ASN D 1 91  ? 7.391   3.426   1.818   1.00 11.18 ? 105 ASN D C   1 
ATOM   3463 O O   . ASN D 1 91  ? 6.262   2.939   1.930   1.00 12.57 ? 105 ASN D O   1 
ATOM   3464 C CB  . ASN D 1 91  ? 6.799   5.755   1.116   1.00 16.30 ? 105 ASN D CB  1 
ATOM   3465 C CG  . ASN D 1 91  ? 6.981   6.864   0.096   1.00 18.53 ? 105 ASN D CG  1 
ATOM   3466 O OD1 . ASN D 1 91  ? 8.111   7.221   -0.238  1.00 20.57 ? 105 ASN D OD1 1 
ATOM   3467 N ND2 . ASN D 1 91  ? 5.874   7.391   -0.428  1.00 21.32 ? 105 ASN D ND2 1 
ATOM   3468 N N   . THR D 1 92  ? 8.429   3.050   2.576   1.00 11.10 ? 106 THR D N   1 
ATOM   3469 C CA  . THR D 1 92  ? 8.322   1.884   3.450   1.00 10.40 ? 106 THR D CA  1 
ATOM   3470 C C   . THR D 1 92  ? 8.909   2.148   4.829   1.00 11.77 ? 106 THR D C   1 
ATOM   3471 O O   . THR D 1 92  ? 9.755   3.024   5.028   1.00 12.45 ? 106 THR D O   1 
ATOM   3472 C CB  . THR D 1 92  ? 9.036   0.638   2.889   1.00 10.69 ? 106 THR D CB  1 
ATOM   3473 O OG1 . THR D 1 92  ? 10.461  0.817   2.989   1.00 11.97 ? 106 THR D OG1 1 
ATOM   3474 C CG2 . THR D 1 92  ? 8.657   0.370   1.439   1.00 12.88 ? 106 THR D CG2 1 
ATOM   3475 N N   . GLN D 1 93  ? 8.438   1.346   5.782   1.00 10.67 ? 107 GLN D N   1 
ATOM   3476 C CA  . GLN D 1 93  ? 9.104   1.126   7.054   1.00 10.86 ? 107 GLN D CA  1 
ATOM   3477 C C   . GLN D 1 93  ? 9.428   -0.360  7.140   1.00 11.22 ? 107 GLN D C   1 
ATOM   3478 O O   . GLN D 1 93  ? 8.751   -1.191  6.525   1.00 13.18 ? 107 GLN D O   1 
ATOM   3479 C CB  . GLN D 1 93  ? 8.212   1.605   8.206   1.00 12.61 ? 107 GLN D CB  1 
ATOM   3480 C CG  . GLN D 1 93  ? 7.923   3.095   8.086   1.00 15.29 ? 107 GLN D CG  1 
ATOM   3481 C CD  . GLN D 1 93  ? 7.205   3.674   9.296   1.00 15.31 ? 107 GLN D CD  1 
ATOM   3482 O OE1 . GLN D 1 93  ? 7.834   4.060   10.279  1.00 15.66 ? 107 GLN D OE1 1 
ATOM   3483 N NE2 . GLN D 1 93  ? 5.885   3.742   9.224   1.00 15.29 ? 107 GLN D NE2 1 
ATOM   3484 N N   . TRP D 1 94  ? 10.515  -0.699  7.832   1.00 11.06 ? 108 TRP D N   1 
ATOM   3485 C CA  . TRP D 1 94  ? 10.986  -2.076  7.831   1.00 11.10 ? 108 TRP D CA  1 
ATOM   3486 C C   . TRP D 1 94  ? 11.322  -2.565  9.235   1.00 11.38 ? 108 TRP D C   1 
ATOM   3487 O O   . TRP D 1 94  ? 11.624  -1.783  10.142  1.00 11.16 ? 108 TRP D O   1 
ATOM   3488 C CB  . TRP D 1 94  ? 12.166  -2.314  6.855   1.00 11.37 ? 108 TRP D CB  1 
ATOM   3489 C CG  . TRP D 1 94  ? 13.362  -1.411  7.013   1.00 10.94 ? 108 TRP D CG  1 
ATOM   3490 C CD1 . TRP D 1 94  ? 13.700  -0.355  6.208   1.00 12.04 ? 108 TRP D CD1 1 
ATOM   3491 C CD2 . TRP D 1 94  ? 14.395  -1.506  8.006   1.00 11.77 ? 108 TRP D CD2 1 
ATOM   3492 N NE1 . TRP D 1 94  ? 14.873  0.211   6.643   1.00 12.40 ? 108 TRP D NE1 1 
ATOM   3493 C CE2 . TRP D 1 94  ? 15.310  -0.466  7.753   1.00 12.39 ? 108 TRP D CE2 1 
ATOM   3494 C CE3 . TRP D 1 94  ? 14.630  -2.365  9.083   1.00 10.93 ? 108 TRP D CE3 1 
ATOM   3495 C CZ2 . TRP D 1 94  ? 16.450  -0.265  8.531   1.00 12.03 ? 108 TRP D CZ2 1 
ATOM   3496 C CZ3 . TRP D 1 94  ? 15.761  -2.158  9.867   1.00 11.97 ? 108 TRP D CZ3 1 
ATOM   3497 C CH2 . TRP D 1 94  ? 16.659  -1.118  9.582   1.00 13.24 ? 108 TRP D CH2 1 
ATOM   3498 N N   . LEU D 1 95  ? 11.264  -3.889  9.382   1.00 11.55 ? 109 LEU D N   1 
ATOM   3499 C CA  . LEU D 1 95  ? 11.661  -4.595  10.593  1.00 10.76 ? 109 LEU D CA  1 
ATOM   3500 C C   . LEU D 1 95  ? 12.648  -5.689  10.210  1.00 11.26 ? 109 LEU D C   1 
ATOM   3501 O O   . LEU D 1 95  ? 12.359  -6.514  9.336   1.00 13.76 ? 109 LEU D O   1 
ATOM   3502 C CB  . LEU D 1 95  ? 10.451  -5.251  11.255  1.00 11.81 ? 109 LEU D CB  1 
ATOM   3503 C CG  . LEU D 1 95  ? 9.350   -4.347  11.822  1.00 12.02 ? 109 LEU D CG  1 
ATOM   3504 C CD1 . LEU D 1 95  ? 8.092   -5.136  12.182  1.00 13.76 ? 109 LEU D CD1 1 
ATOM   3505 C CD2 . LEU D 1 95  ? 9.850   -3.544  13.024  1.00 13.47 ? 109 LEU D CD2 1 
ATOM   3506 N N   . LEU D 1 96  ? 13.799  -5.709  10.870  1.00 11.44 ? 110 LEU D N   1 
ATOM   3507 C CA  . LEU D 1 96  ? 14.850  -6.689  10.605  1.00 10.79 ? 110 LEU D CA  1 
ATOM   3508 C C   . LEU D 1 96  ? 15.048  -7.528  11.864  1.00 12.17 ? 110 LEU D C   1 
ATOM   3509 O O   . LEU D 1 96  ? 15.590  -7.034  12.859  1.00 12.77 ? 110 LEU D O   1 
ATOM   3510 C CB  . LEU D 1 96  ? 16.142  -5.981  10.193  1.00 12.56 ? 110 LEU D CB  1 
ATOM   3511 C CG  . LEU D 1 96  ? 17.475  -6.743  10.201  1.00 14.09 ? 110 LEU D CG  1 
ATOM   3512 C CD1 . LEU D 1 96  ? 17.336  -8.060  9.469   1.00 15.07 ? 110 LEU D CD1 1 
ATOM   3513 C CD2 . LEU D 1 96  ? 18.653  -5.933  9.610   1.00 15.57 ? 110 LEU D CD2 1 
ATOM   3514 N N   . THR D 1 97  ? 14.598  -8.784  11.833  1.00 11.78 ? 111 THR D N   1 
ATOM   3515 C CA  . THR D 1 97  ? 14.715  -9.678  12.988  1.00 12.35 ? 111 THR D CA  1 
ATOM   3516 C C   . THR D 1 97  ? 15.831  -10.691 12.761  1.00 12.17 ? 111 THR D C   1 
ATOM   3517 O O   . THR D 1 97  ? 15.860  -11.369 11.728  1.00 13.80 ? 111 THR D O   1 
ATOM   3518 C CB  . THR D 1 97  ? 13.407  -10.422 13.285  1.00 12.62 ? 111 THR D CB  1 
ATOM   3519 O OG1 . THR D 1 97  ? 12.341  -9.490  13.511  1.00 13.28 ? 111 THR D OG1 1 
ATOM   3520 C CG2 . THR D 1 97  ? 13.568  -11.318 14.526  1.00 13.55 ? 111 THR D CG2 1 
ATOM   3521 N N   . SER D 1 98  ? 16.743  -10.793 13.731  1.00 13.43 ? 112 SER D N   1 
ATOM   3522 C CA  . SER D 1 98  ? 17.800  -11.796 13.720  1.00 13.78 ? 112 SER D CA  1 
ATOM   3523 C C   . SER D 1 98  ? 17.398  -12.945 14.634  1.00 15.24 ? 112 SER D C   1 
ATOM   3524 O O   . SER D 1 98  ? 16.776  -12.728 15.678  1.00 16.69 ? 112 SER D O   1 
ATOM   3525 C CB  . SER D 1 98  ? 19.128  -11.214 14.219  1.00 15.78 ? 112 SER D CB  1 
ATOM   3526 O OG  . SER D 1 98  ? 19.596  -10.168 13.387  0.78 16.30 ? 112 SER D OG  1 
ATOM   3527 N N   . GLY D 1 99  ? 17.737  -14.166 14.238  1.00 15.62 ? 113 GLY D N   1 
ATOM   3528 C CA  . GLY D 1 99  ? 17.612  -15.282 15.156  1.00 16.67 ? 113 GLY D CA  1 
ATOM   3529 C C   . GLY D 1 99  ? 18.501  -15.098 16.374  1.00 17.36 ? 113 GLY D C   1 
ATOM   3530 O O   . GLY D 1 99  ? 19.690  -14.794 16.231  1.00 18.77 ? 113 GLY D O   1 
ATOM   3531 N N   . THR D 1 100 ? 17.941  -15.246 17.576  1.00 17.61 ? 114 THR D N   1 
ATOM   3532 C CA  . THR D 1 100 ? 18.698  -15.083 18.811  1.00 16.65 ? 114 THR D CA  1 
ATOM   3533 C C   . THR D 1 100 ? 18.295  -16.173 19.791  1.00 16.32 ? 114 THR D C   1 
ATOM   3534 O O   . THR D 1 100 ? 17.274  -16.843 19.624  1.00 18.33 ? 114 THR D O   1 
ATOM   3535 C CB  . THR D 1 100 ? 18.422  -13.731 19.487  1.00 16.53 ? 114 THR D CB  1 
ATOM   3536 O OG1 . THR D 1 100 ? 17.058  -13.685 19.939  1.00 17.45 ? 114 THR D OG1 1 
ATOM   3537 C CG2 . THR D 1 100 ? 18.700  -12.565 18.552  1.00 18.14 ? 114 THR D CG2 1 
ATOM   3538 N N   . THR D 1 101 ? 19.099  -16.326 20.843  1.00 17.68 ? 115 THR D N   1 
ATOM   3539 C CA  . THR D 1 101 ? 18.642  -17.066 22.007  1.00 18.57 ? 115 THR D CA  1 
ATOM   3540 C C   . THR D 1 101 ? 17.564  -16.254 22.717  1.00 18.06 ? 115 THR D C   1 
ATOM   3541 O O   . THR D 1 101 ? 17.401  -15.053 22.486  1.00 17.98 ? 115 THR D O   1 
ATOM   3542 C CB  . THR D 1 101 ? 19.793  -17.297 22.984  1.00 19.90 ? 115 THR D CB  1 
ATOM   3543 O OG1 . THR D 1 101 ? 20.252  -16.029 23.463  1.00 20.88 ? 115 THR D OG1 1 
ATOM   3544 C CG2 . THR D 1 101 ? 20.944  -18.038 22.305  1.00 21.75 ? 115 THR D CG2 1 
ATOM   3545 N N   . GLU D 1 102 ? 16.823  -16.916 23.607  1.00 18.85 ? 116 GLU D N   1 
ATOM   3546 C CA  . GLU D 1 102 ? 15.764  -16.207 24.316  1.00 19.94 ? 116 GLU D CA  1 
ATOM   3547 C C   . GLU D 1 102 ? 16.333  -15.091 25.179  1.00 19.24 ? 116 GLU D C   1 
ATOM   3548 O O   . GLU D 1 102 ? 15.729  -14.018 25.292  1.00 19.65 ? 116 GLU D O   1 
ATOM   3549 C CB  . GLU D 1 102 ? 14.924  -17.180 25.139  1.00 22.47 ? 116 GLU D CB  1 
ATOM   3550 C CG  . GLU D 1 102 ? 14.566  -18.426 24.366  0.50 24.73 ? 116 GLU D CG  1 
ATOM   3551 C CD  . GLU D 1 102 ? 15.488  -19.566 24.704  0.30 26.43 ? 116 GLU D CD  1 
ATOM   3552 O OE1 . GLU D 1 102 ? 15.297  -20.140 25.790  0.51 27.10 ? 116 GLU D OE1 1 
ATOM   3553 O OE2 . GLU D 1 102 ? 16.410  -19.870 23.914  0.53 27.18 ? 116 GLU D OE2 1 
ATOM   3554 N N   . ALA D 1 103 ? 17.520  -15.310 25.760  1.00 19.21 ? 117 ALA D N   1 
ATOM   3555 C CA  . ALA D 1 103 ? 18.134  -14.296 26.613  1.00 19.29 ? 117 ALA D CA  1 
ATOM   3556 C C   . ALA D 1 103 ? 18.476  -13.031 25.837  1.00 19.92 ? 117 ALA D C   1 
ATOM   3557 O O   . ALA D 1 103 ? 18.519  -11.939 26.417  1.00 20.70 ? 117 ALA D O   1 
ATOM   3558 C CB  . ALA D 1 103 ? 19.382  -14.860 27.298  1.00 20.25 ? 117 ALA D CB  1 
ATOM   3559 N N   . ASN D 1 104 ? 18.712  -13.154 24.531  1.00 17.98 ? 118 ASN D N   1 
ATOM   3560 C CA  . ASN D 1 104 ? 19.049  -12.022 23.679  1.00 18.34 ? 118 ASN D CA  1 
ATOM   3561 C C   . ASN D 1 104 ? 17.876  -11.549 22.834  1.00 17.10 ? 118 ASN D C   1 
ATOM   3562 O O   . ASN D 1 104 ? 18.061  -10.694 21.960  1.00 17.61 ? 118 ASN D O   1 
ATOM   3563 C CB  . ASN D 1 104 ? 20.231  -12.376 22.772  1.00 20.38 ? 118 ASN D CB  1 
ATOM   3564 C CG  . ASN D 1 104 ? 21.519  -12.546 23.542  1.00 22.47 ? 118 ASN D CG  1 
ATOM   3565 O OD1 . ASN D 1 104 ? 21.805  -11.792 24.469  1.00 23.52 ? 118 ASN D OD1 1 
ATOM   3566 N ND2 . ASN D 1 104 ? 22.306  -13.542 23.161  1.00 23.99 ? 118 ASN D ND2 1 
ATOM   3567 N N   . ALA D 1 105 ? 16.675  -12.085 23.064  1.00 16.21 ? 119 ALA D N   1 
ATOM   3568 C CA  . ALA D 1 105 ? 15.562  -11.747 22.180  1.00 16.23 ? 119 ALA D CA  1 
ATOM   3569 C C   . ALA D 1 105 ? 15.183  -10.277 22.269  1.00 16.71 ? 119 ALA D C   1 
ATOM   3570 O O   . ALA D 1 105 ? 14.634  -9.730  21.304  1.00 16.74 ? 119 ALA D O   1 
ATOM   3571 C CB  . ALA D 1 105 ? 14.347  -12.639 22.460  1.00 18.14 ? 119 ALA D CB  1 
ATOM   3572 N N   . TRP D 1 106 ? 15.476  -9.624  23.396  1.00 17.99 ? 120 TRP D N   1 
ATOM   3573 C CA  . TRP D 1 106 ? 15.131  -8.219  23.559  1.00 19.06 ? 120 TRP D CA  1 
ATOM   3574 C C   . TRP D 1 106 ? 15.811  -7.327  22.528  1.00 19.80 ? 120 TRP D C   1 
ATOM   3575 O O   . TRP D 1 106 ? 15.280  -6.257  22.213  1.00 21.86 ? 120 TRP D O   1 
ATOM   3576 C CB  . TRP D 1 106 ? 15.465  -7.755  24.983  1.00 20.17 ? 120 TRP D CB  1 
ATOM   3577 C CG  . TRP D 1 106 ? 16.929  -7.690  25.250  1.00 21.27 ? 120 TRP D CG  1 
ATOM   3578 C CD1 . TRP D 1 106 ? 17.725  -8.700  25.704  1.00 21.70 ? 120 TRP D CD1 1 
ATOM   3579 C CD2 . TRP D 1 106 ? 17.782  -6.551  25.082  1.00 23.65 ? 120 TRP D CD2 1 
ATOM   3580 N NE1 . TRP D 1 106 ? 19.024  -8.261  25.825  1.00 23.06 ? 120 TRP D NE1 1 
ATOM   3581 C CE2 . TRP D 1 106 ? 19.084  -6.945  25.448  1.00 24.15 ? 120 TRP D CE2 1 
ATOM   3582 C CE3 . TRP D 1 106 ? 17.571  -5.238  24.651  1.00 25.52 ? 120 TRP D CE3 1 
ATOM   3583 C CZ2 . TRP D 1 106 ? 20.168  -6.071  25.404  1.00 25.35 ? 120 TRP D CZ2 1 
ATOM   3584 C CZ3 . TRP D 1 106 ? 18.647  -4.373  24.607  1.00 25.89 ? 120 TRP D CZ3 1 
ATOM   3585 C CH2 . TRP D 1 106 ? 19.930  -4.792  24.985  1.00 25.76 ? 120 TRP D CH2 1 
ATOM   3586 N N   . LYS D 1 107 ? 16.959  -7.745  21.987  1.00 18.32 ? 121 LYS D N   1 
ATOM   3587 C CA  . LYS D 1 107 ? 17.694  -6.976  20.989  1.00 18.54 ? 121 LYS D CA  1 
ATOM   3588 C C   . LYS D 1 107 ? 17.701  -7.659  19.622  1.00 16.61 ? 121 LYS D C   1 
ATOM   3589 O O   . LYS D 1 107 ? 18.654  -7.523  18.850  1.00 18.28 ? 121 LYS D O   1 
ATOM   3590 C CB  . LYS D 1 107 ? 19.112  -6.662  21.465  1.00 21.08 ? 121 LYS D CB  1 
ATOM   3591 C CG  . LYS D 1 107 ? 19.946  -7.879  21.853  1.00 22.43 ? 121 LYS D CG  1 
ATOM   3592 C CD  . LYS D 1 107 ? 21.370  -7.474  22.221  1.00 24.57 ? 121 LYS D CD  1 
ATOM   3593 C CE  . LYS D 1 107 ? 22.175  -8.668  22.697  1.00 25.77 ? 121 LYS D CE  1 
ATOM   3594 N NZ  . LYS D 1 107 ? 23.596  -8.307  22.980  1.00 27.27 ? 121 LYS D NZ  1 
ATOM   3595 N N   . SER D 1 108 ? 16.634  -8.387  19.307  1.00 15.33 ? 122 SER D N   1 
ATOM   3596 C CA  . SER D 1 108 ? 16.576  -9.141  18.064  1.00 13.81 ? 122 SER D CA  1 
ATOM   3597 C C   . SER D 1 108 ? 16.086  -8.324  16.876  1.00 12.77 ? 122 SER D C   1 
ATOM   3598 O O   . SER D 1 108 ? 16.338  -8.728  15.738  1.00 13.13 ? 122 SER D O   1 
ATOM   3599 C CB  . SER D 1 108 ? 15.664  -10.361 18.228  1.00 16.28 ? 122 SER D CB  1 
ATOM   3600 O OG  . SER D 1 108 ? 14.327  -9.972  18.507  1.00 18.05 ? 122 SER D OG  1 
ATOM   3601 N N   . THR D 1 109 ? 15.426  -7.187  17.091  1.00 11.04 ? 123 THR D N   1 
ATOM   3602 C CA  . THR D 1 109 ? 14.657  -6.549  16.021  1.00 11.05 ? 123 THR D CA  1 
ATOM   3603 C C   . THR D 1 109 ? 15.038  -5.088  15.835  1.00 11.42 ? 123 THR D C   1 
ATOM   3604 O O   . THR D 1 109 ? 14.805  -4.260  16.719  1.00 11.83 ? 123 THR D O   1 
ATOM   3605 C CB  . THR D 1 109 ? 13.145  -6.683  16.245  1.00 12.02 ? 123 THR D CB  1 
ATOM   3606 O OG1 . THR D 1 109 ? 12.829  -8.057  16.485  1.00 14.21 ? 123 THR D OG1 1 
ATOM   3607 C CG2 . THR D 1 109 ? 12.358  -6.199  15.005  1.00 11.53 ? 123 THR D CG2 1 
ATOM   3608 N N   . LEU D 1 110 ? 15.587  -4.770  14.659  1.00 11.31 ? 124 LEU D N   1 
ATOM   3609 C CA  . LEU D 1 110 ? 15.847  -3.394  14.267  1.00 12.07 ? 124 LEU D CA  1 
ATOM   3610 C C   . LEU D 1 110 ? 14.667  -2.850  13.469  1.00 11.37 ? 124 LEU D C   1 
ATOM   3611 O O   . LEU D 1 110 ? 13.958  -3.598  12.791  1.00 12.27 ? 124 LEU D O   1 
ATOM   3612 C CB  . LEU D 1 110 ? 17.106  -3.329  13.394  1.00 13.17 ? 124 LEU D CB  1 
ATOM   3613 C CG  . LEU D 1 110 ? 18.438  -3.644  14.081  1.00 14.44 ? 124 LEU D CG  1 
ATOM   3614 C CD1 . LEU D 1 110 ? 19.524  -3.948  13.048  1.00 15.07 ? 124 LEU D CD1 1 
ATOM   3615 C CD2 . LEU D 1 110 ? 18.853  -2.481  14.957  1.00 15.04 ? 124 LEU D CD2 1 
ATOM   3616 N N   . VAL D 1 111 ? 14.473  -1.530  13.541  1.00 11.85 ? 125 VAL D N   1 
ATOM   3617 C CA  . VAL D 1 111 ? 13.422  -0.844  12.793  1.00 11.45 ? 125 VAL D CA  1 
ATOM   3618 C C   . VAL D 1 111 ? 14.016  0.340   12.035  1.00 10.79 ? 125 VAL D C   1 
ATOM   3619 O O   . VAL D 1 111 ? 14.926  1.015   12.526  1.00 11.44 ? 125 VAL D O   1 
ATOM   3620 C CB  . VAL D 1 111 ? 12.276  -0.392  13.724  1.00 11.67 ? 125 VAL D CB  1 
ATOM   3621 C CG1 . VAL D 1 111 ? 12.775  0.579   14.789  1.00 12.58 ? 125 VAL D CG1 1 
ATOM   3622 C CG2 . VAL D 1 111 ? 11.147  0.217   12.908  1.00 11.88 ? 125 VAL D CG2 1 
ATOM   3623 N N   . GLY D 1 112 ? 13.509  0.581   10.836  1.00 10.85 ? 126 GLY D N   1 
ATOM   3624 C CA  . GLY D 1 112 ? 13.930  1.724   10.056  1.00 11.85 ? 126 GLY D CA  1 
ATOM   3625 C C   . GLY D 1 112 ? 12.970  2.022   8.923   1.00 11.92 ? 126 GLY D C   1 
ATOM   3626 O O   . GLY D 1 112 ? 11.826  1.563   8.911   1.00 11.75 ? 126 GLY D O   1 
ATOM   3627 N N   . HIS D 1 113 ? 13.435  2.824   7.965   1.00 11.97 ? 127 HIS D N   1 
ATOM   3628 C CA  . HIS D 1 113 ? 12.592  3.230   6.843   1.00 12.73 ? 127 HIS D CA  1 
ATOM   3629 C C   . HIS D 1 113 ? 13.429  3.344   5.576   1.00 12.97 ? 127 HIS D C   1 
ATOM   3630 O O   . HIS D 1 113 ? 14.597  3.729   5.633   1.00 16.19 ? 127 HIS D O   1 
ATOM   3631 C CB  . HIS D 1 113 ? 11.896  4.565   7.133   1.00 16.02 ? 127 HIS D CB  1 
ATOM   3632 C CG  . HIS D 1 113 ? 12.791  5.592   7.750   1.00 19.36 ? 127 HIS D CG  1 
ATOM   3633 N ND1 . HIS D 1 113 ? 13.445  6.554   7.012   1.00 21.77 ? 127 HIS D ND1 1 
ATOM   3634 C CD2 . HIS D 1 113 ? 13.144  5.803   9.042   1.00 20.17 ? 127 HIS D CD2 1 
ATOM   3635 C CE1 . HIS D 1 113 ? 14.161  7.315   7.822   1.00 21.81 ? 127 HIS D CE1 1 
ATOM   3636 N NE2 . HIS D 1 113 ? 13.996  6.881   9.058   1.00 21.57 ? 127 HIS D NE2 1 
ATOM   3637 N N   . ASP D 1 114 ? 12.824  3.000   4.437   1.00 12.71 ? 128 ASP D N   1 
ATOM   3638 C CA  . ASP D 1 114 ? 13.467  3.065   3.130   1.00 12.35 ? 128 ASP D CA  1 
ATOM   3639 C C   . ASP D 1 114 ? 12.515  3.731   2.152   1.00 12.08 ? 128 ASP D C   1 
ATOM   3640 O O   . ASP D 1 114 ? 11.314  3.454   2.164   1.00 12.57 ? 128 ASP D O   1 
ATOM   3641 C CB  . ASP D 1 114 ? 13.742  1.656   2.570   1.00 13.80 ? 128 ASP D CB  1 
ATOM   3642 C CG  A ASP D 1 114 ? 15.164  1.200   2.794   0.48 14.35 ? 128 ASP D CG  1 
ATOM   3643 C CG  B ASP D 1 114 ? 14.959  0.990   3.203   0.52 13.83 ? 128 ASP D CG  1 
ATOM   3644 O OD1 A ASP D 1 114 ? 16.093  2.002   2.571   0.48 13.90 ? 128 ASP D OD1 1 
ATOM   3645 O OD1 B ASP D 1 114 ? 15.651  1.624   4.034   0.52 14.58 ? 128 ASP D OD1 1 
ATOM   3646 O OD2 A ASP D 1 114 ? 15.349  0.026   3.179   0.48 15.19 ? 128 ASP D OD2 1 
ATOM   3647 O OD2 B ASP D 1 114 ? 15.218  -0.185  2.863   0.52 13.36 ? 128 ASP D OD2 1 
ATOM   3648 N N   . THR D 1 115 ? 13.059  4.575   1.276   1.00 13.25 ? 129 THR D N   1 
ATOM   3649 C CA  . THR D 1 115 ? 12.314  5.146   0.161   1.00 13.84 ? 129 THR D CA  1 
ATOM   3650 C C   . THR D 1 115 ? 12.945  4.666   -1.137  1.00 12.15 ? 129 THR D C   1 
ATOM   3651 O O   . THR D 1 115 ? 14.155  4.815   -1.332  1.00 14.04 ? 129 THR D O   1 
ATOM   3652 C CB  . THR D 1 115 ? 12.335  6.676   0.194   1.00 18.16 ? 129 THR D CB  1 
ATOM   3653 O OG1 . THR D 1 115 ? 11.856  7.139   1.461   1.00 21.81 ? 129 THR D OG1 1 
ATOM   3654 C CG2 . THR D 1 115 ? 11.441  7.240   -0.917  1.00 18.82 ? 129 THR D CG2 1 
ATOM   3655 N N   . PHE D 1 116 ? 12.125  4.096   -2.018  1.00 13.03 ? 130 PHE D N   1 
ATOM   3656 C CA  . PHE D 1 116 ? 12.577  3.555   -3.292  1.00 13.42 ? 130 PHE D CA  1 
ATOM   3657 C C   . PHE D 1 116 ? 12.079  4.420   -4.442  1.00 12.56 ? 130 PHE D C   1 
ATOM   3658 O O   . PHE D 1 116 ? 10.927  4.872   -4.439  1.00 12.77 ? 130 PHE D O   1 
ATOM   3659 C CB  . PHE D 1 116 ? 12.063  2.124   -3.483  1.00 14.70 ? 130 PHE D CB  1 
ATOM   3660 C CG  . PHE D 1 116 ? 12.576  1.149   -2.463  1.00 14.52 ? 130 PHE D CG  1 
ATOM   3661 C CD1 . PHE D 1 116 ? 13.748  0.452   -2.681  1.00 15.43 ? 130 PHE D CD1 1 
ATOM   3662 C CD2 . PHE D 1 116 ? 11.888  0.935   -1.276  1.00 13.29 ? 130 PHE D CD2 1 
ATOM   3663 C CE1 . PHE D 1 116 ? 14.228  -0.448  -1.747  1.00 15.93 ? 130 PHE D CE1 1 
ATOM   3664 C CE2 . PHE D 1 116 ? 12.358  0.035   -0.327  1.00 13.82 ? 130 PHE D CE2 1 
ATOM   3665 C CZ  . PHE D 1 116 ? 13.537  -0.651  -0.561  1.00 14.24 ? 130 PHE D CZ  1 
ATOM   3666 N N   . THR D 1 117 ? 12.945  4.622   -5.438  1.00 13.49 ? 131 THR D N   1 
ATOM   3667 C CA  . THR D 1 117 ? 12.640  5.388   -6.636  1.00 14.47 ? 131 THR D CA  1 
ATOM   3668 C C   . THR D 1 117 ? 13.051  4.583   -7.865  1.00 14.01 ? 131 THR D C   1 
ATOM   3669 O O   . THR D 1 117 ? 13.785  3.596   -7.778  1.00 13.73 ? 131 THR D O   1 
ATOM   3670 C CB  . THR D 1 117 ? 13.393  6.725   -6.649  1.00 18.65 ? 131 THR D CB  1 
ATOM   3671 O OG1 . THR D 1 117 ? 14.795  6.488   -6.461  1.00 22.00 ? 131 THR D OG1 1 
ATOM   3672 C CG2 . THR D 1 117 ? 12.900  7.631   -5.548  1.00 19.87 ? 131 THR D CG2 1 
ATOM   3673 N N   . LYS D 1 118 ? 12.567  5.026   -9.025  1.00 15.01 ? 132 LYS D N   1 
ATOM   3674 C CA  . LYS D 1 118 ? 12.872  4.359   -10.284 1.00 16.89 ? 132 LYS D CA  1 
ATOM   3675 C C   . LYS D 1 118 ? 14.242  4.709   -10.853 1.00 18.05 ? 132 LYS D C   1 
ATOM   3676 O O   . LYS D 1 118 ? 14.684  4.034   -11.786 1.00 18.17 ? 132 LYS D O   1 
ATOM   3677 C CB  . LYS D 1 118 ? 11.805  4.710   -11.318 1.00 18.13 ? 132 LYS D CB  1 
ATOM   3678 C CG  . LYS D 1 118 ? 10.391  4.335   -10.913 1.00 21.92 ? 132 LYS D CG  1 
ATOM   3679 C CD  . LYS D 1 118 ? 10.018  2.963   -11.417 1.00 26.42 ? 132 LYS D CD  1 
ATOM   3680 C CE  . LYS D 1 118 ? 8.510   2.861   -11.585 1.00 30.14 ? 132 LYS D CE  1 
ATOM   3681 N NZ  . LYS D 1 118 ? 7.969   3.958   -12.441 1.00 34.10 ? 132 LYS D NZ  1 
ATOM   3682 N N   . VAL D 1 119 ? 14.907  5.743   -10.347 1.00 18.79 ? 133 VAL D N   1 
ATOM   3683 C CA  . VAL D 1 119 ? 16.244  6.116   -10.795 1.00 22.62 ? 133 VAL D CA  1 
ATOM   3684 C C   . VAL D 1 119 ? 17.187  6.077   -9.600  1.00 26.14 ? 133 VAL D C   1 
ATOM   3685 O O   . VAL D 1 119 ? 16.768  6.246   -8.451  1.00 28.44 ? 133 VAL D O   1 
ATOM   3686 C CB  . VAL D 1 119 ? 16.264  7.506   -11.467 1.00 24.89 ? 133 VAL D CB  1 
ATOM   3687 C CG1 . VAL D 1 119 ? 15.434  7.493   -12.749 1.00 25.55 ? 133 VAL D CG1 1 
ATOM   3688 C CG2 . VAL D 1 119 ? 15.750  8.560   -10.500 1.00 25.87 ? 133 VAL D CG2 1 
ATOM   3689 N N   . LYS D 1 120 ? 18.469  5.849   -9.876  1.00 30.35 ? 134 LYS D N   1 
ATOM   3690 C CA  . LYS D 1 120 ? 19.474  5.789   -8.816  1.00 34.12 ? 134 LYS D CA  1 
ATOM   3691 C C   . LYS D 1 120 ? 19.647  7.138   -8.125  1.00 36.11 ? 134 LYS D C   1 
ATOM   3692 O O   . LYS D 1 120 ? 19.466  8.190   -8.737  1.00 37.06 ? 134 LYS D O   1 
ATOM   3693 C CB  . LYS D 1 120 ? 20.820  5.303   -9.363  1.00 35.58 ? 134 LYS D CB  1 
ATOM   3694 C CG  . LYS D 1 120 ? 21.009  3.795   -9.300  1.00 37.57 ? 134 LYS D CG  1 
ATOM   3695 C CD  . LYS D 1 120 ? 22.476  3.414   -9.461  1.00 38.94 ? 134 LYS D CD  1 
ATOM   3696 C CE  . LYS D 1 120 ? 22.744  2.002   -8.954  1.00 39.38 ? 134 LYS D CE  1 
ATOM   3697 N NZ  . LYS D 1 120 ? 22.399  1.841   -7.509  1.00 39.32 ? 134 LYS D NZ  1 
HETATM 3698 C C1  . GOL E 2 .   ? -6.511  -6.691  9.525   0.89 23.90 ? 301 GOL A C1  1 
HETATM 3699 O O1  . GOL E 2 .   ? -5.749  -6.339  10.609  0.89 27.20 ? 301 GOL A O1  1 
HETATM 3700 C C2  . GOL E 2 .   ? -6.564  -5.466  8.611   0.89 19.21 ? 301 GOL A C2  1 
HETATM 3701 O O2  . GOL E 2 .   ? -7.535  -5.622  7.639   0.89 22.71 ? 301 GOL A O2  1 
HETATM 3702 C C3  . GOL E 2 .   ? -6.867  -4.278  9.506   0.89 21.78 ? 301 GOL A C3  1 
HETATM 3703 O O3  . GOL E 2 .   ? -8.147  -3.845  9.198   0.89 27.05 ? 301 GOL A O3  1 
HETATM 3704 S S   . DMS F 3 .   ? -2.102  -6.735  12.131  0.81 15.03 ? 302 DMS A S   1 
HETATM 3705 O O   . DMS F 3 .   ? -2.768  -7.196  10.867  0.81 13.49 ? 302 DMS A O   1 
HETATM 3706 C C1  . DMS F 3 .   ? -1.385  -8.164  12.986  0.81 12.99 ? 302 DMS A C1  1 
HETATM 3707 C C2  . DMS F 3 .   ? -3.437  -6.403  13.304  0.81 15.91 ? 302 DMS A C2  1 
HETATM 3708 C C1  . GOL G 2 .   ? 14.925  -1.242  25.930  1.00 14.01 ? 301 GOL B C1  1 
HETATM 3709 O O1  . GOL G 2 .   ? 15.707  -0.511  26.839  1.00 19.74 ? 301 GOL B O1  1 
HETATM 3710 C C2  . GOL G 2 .   ? 14.637  -2.547  26.592  1.00 22.04 ? 301 GOL B C2  1 
HETATM 3711 O O2  . GOL G 2 .   ? 15.607  -2.872  27.538  1.00 26.93 ? 301 GOL B O2  1 
HETATM 3712 C C3  . GOL G 2 .   ? 13.293  -2.237  27.207  1.00 21.00 ? 301 GOL B C3  1 
HETATM 3713 O O3  . GOL G 2 .   ? 13.175  -2.957  28.409  1.00 24.73 ? 301 GOL B O3  1 
HETATM 3714 C C1  . GOL H 2 .   ? 4.845   12.373  15.478  0.88 17.77 ? 301 GOL C C1  1 
HETATM 3715 O O1  . GOL H 2 .   ? 4.800   13.474  14.625  0.88 23.45 ? 301 GOL C O1  1 
HETATM 3716 C C2  . GOL H 2 .   ? 3.370   11.900  15.789  0.88 9.30  ? 301 GOL C C2  1 
HETATM 3717 O O2  . GOL H 2 .   ? 2.761   12.604  16.875  0.88 14.56 ? 301 GOL C O2  1 
HETATM 3718 C C3  . GOL H 2 .   ? 2.584   12.144  14.456  0.88 18.33 ? 301 GOL C C3  1 
HETATM 3719 O O3  . GOL H 2 .   ? 2.447   13.528  14.326  0.88 23.45 ? 301 GOL C O3  1 
HETATM 3720 S S   . DMS I 3 .   ? -1.617  13.454  17.577  0.82 30.21 ? 302 DMS C S   1 
HETATM 3721 O O   . DMS I 3 .   ? -0.558  14.177  16.801  0.82 29.50 ? 302 DMS C O   1 
HETATM 3722 C C1  . DMS I 3 .   ? -2.851  12.815  16.415  0.82 30.84 ? 302 DMS C C1  1 
HETATM 3723 C C2  . DMS I 3 .   ? -2.625  14.659  18.477  0.82 29.29 ? 302 DMS C C2  1 
HETATM 3724 C C1  . GOL J 2 .   ? 17.487  -4.641  5.938   0.86 20.42 ? 301 GOL D C1  1 
HETATM 3725 O O1  . GOL J 2 .   ? 18.733  -4.606  5.290   0.86 27.27 ? 301 GOL D O1  1 
HETATM 3726 C C2  . GOL J 2 .   ? 17.176  -3.206  6.376   0.86 19.52 ? 301 GOL D C2  1 
HETATM 3727 O O2  . GOL J 2 .   ? 18.352  -2.470  6.584   0.86 25.52 ? 301 GOL D O2  1 
HETATM 3728 C C3  . GOL J 2 .   ? 16.289  -2.608  5.230   0.86 21.41 ? 301 GOL D C3  1 
HETATM 3729 O O3  . GOL J 2 .   ? 17.133  -2.033  4.275   0.86 25.14 ? 301 GOL D O3  1 
HETATM 3730 O O   . HOH K 4 .   ? -1.456  -19.198 20.864  1.00 33.75 ? 401 HOH A O   1 
HETATM 3731 O O   . HOH K 4 .   ? 9.387   -21.557 -3.786  1.00 47.97 ? 402 HOH A O   1 
HETATM 3732 O O   . HOH K 4 .   ? 11.640  -10.515 9.221   1.00 28.27 ? 403 HOH A O   1 
HETATM 3733 O O   . HOH K 4 .   ? 8.430   -29.981 15.396  1.00 42.98 ? 404 HOH A O   1 
HETATM 3734 O O   . HOH K 4 .   ? 3.823   -10.622 21.676  1.00 21.78 ? 405 HOH A O   1 
HETATM 3735 O O   . HOH K 4 .   ? 6.225   -4.168  19.993  1.00 23.32 ? 406 HOH A O   1 
HETATM 3736 O O   . HOH K 4 .   ? -16.862 -6.302  0.492   1.00 46.14 ? 407 HOH A O   1 
HETATM 3737 O O   . HOH K 4 .   ? -7.063  1.650   6.919   1.00 48.63 ? 408 HOH A O   1 
HETATM 3738 O O   . HOH K 4 .   ? -1.804  -27.021 9.060   1.00 28.15 ? 409 HOH A O   1 
HETATM 3739 O O   . HOH K 4 .   ? -10.258 -7.194  3.868   1.00 15.20 ? 410 HOH A O   1 
HETATM 3740 O O   . HOH K 4 .   ? -11.953 -12.374 9.926   1.00 26.73 ? 411 HOH A O   1 
HETATM 3741 O O   . HOH K 4 .   ? 25.680  -26.920 18.425  1.00 40.54 ? 412 HOH A O   1 
HETATM 3742 O O   . HOH K 4 .   ? -9.963  -12.725 8.189   1.00 17.39 ? 413 HOH A O   1 
HETATM 3743 O O   . HOH K 4 .   ? -2.502  -26.227 15.581  1.00 25.99 ? 414 HOH A O   1 
HETATM 3744 O O   . HOH K 4 .   ? 6.855   -17.893 -0.881  1.00 21.80 ? 415 HOH A O   1 
HETATM 3745 O O   . HOH K 4 .   ? 6.203   -21.183 24.655  1.00 36.28 ? 416 HOH A O   1 
HETATM 3746 O O   . HOH K 4 .   ? 2.398   -28.951 12.975  1.00 33.09 ? 417 HOH A O   1 
HETATM 3747 O O   . HOH K 4 .   ? -8.373  -19.987 8.613   1.00 20.78 ? 418 HOH A O   1 
HETATM 3748 O O   . HOH K 4 .   ? 6.039   -28.859 11.085  1.00 30.99 ? 419 HOH A O   1 
HETATM 3749 O O   . HOH K 4 .   ? -2.499  -11.241 0.440   1.00 11.18 ? 420 HOH A O   1 
HETATM 3750 O O   . HOH K 4 .   ? -10.014 -11.860 19.740  1.00 35.67 ? 421 HOH A O   1 
HETATM 3751 O O   . HOH K 4 .   ? 2.862   -24.442 20.038  1.00 31.12 ? 422 HOH A O   1 
HETATM 3752 O O   . HOH K 4 .   ? -5.323  -26.554 14.774  1.00 26.28 ? 423 HOH A O   1 
HETATM 3753 O O   . HOH K 4 .   ? -3.998  14.175  8.132   1.00 26.27 ? 424 HOH A O   1 
HETATM 3754 O O   . HOH K 4 .   ? -6.304  13.649  2.145   1.00 25.26 ? 425 HOH A O   1 
HETATM 3755 O O   . HOH K 4 .   ? -17.022 -15.552 5.030   1.00 31.30 ? 426 HOH A O   1 
HETATM 3756 O O   . HOH K 4 .   ? -9.569  -21.157 12.876  1.00 36.97 ? 427 HOH A O   1 
HETATM 3757 O O   . HOH K 4 .   ? 2.037   6.061   10.572  1.00 21.11 ? 428 HOH A O   1 
HETATM 3758 O O   . HOH K 4 .   ? 16.310  -19.432 3.435   1.00 17.03 ? 429 HOH A O   1 
HETATM 3759 O O   . HOH K 4 .   ? -9.174  -17.144 13.439  1.00 27.58 ? 430 HOH A O   1 
HETATM 3760 O O   . HOH K 4 .   ? -7.941  -0.277  6.084   1.00 36.84 ? 431 HOH A O   1 
HETATM 3761 O O   . HOH K 4 .   ? -18.099 -9.162  -1.520  1.00 31.61 ? 432 HOH A O   1 
HETATM 3762 O O   . HOH K 4 .   ? -5.796  -26.029 9.785   1.00 38.27 ? 433 HOH A O   1 
HETATM 3763 O O   . HOH K 4 .   ? 13.600  -23.900 11.972  1.00 26.79 ? 434 HOH A O   1 
HETATM 3764 O O   . HOH K 4 .   ? 0.845   -23.567 1.327   1.00 30.13 ? 435 HOH A O   1 
HETATM 3765 O O   . HOH K 4 .   ? 20.461  -25.683 10.693  1.00 36.62 ? 436 HOH A O   1 
HETATM 3766 O O   . HOH K 4 .   ? -8.789  -21.786 26.690  1.00 49.18 ? 437 HOH A O   1 
HETATM 3767 O O   . HOH K 4 .   ? -2.983  1.102   8.918   1.00 15.42 ? 438 HOH A O   1 
HETATM 3768 O O   . HOH K 4 .   ? 9.147   -22.001 22.354  1.00 32.35 ? 439 HOH A O   1 
HETATM 3769 O O   . HOH K 4 .   ? -2.262  -19.335 -0.243  1.00 33.40 ? 440 HOH A O   1 
HETATM 3770 O O   . HOH K 4 .   ? -4.024  -10.914 13.601  1.00 18.00 ? 441 HOH A O   1 
HETATM 3771 O O   . HOH K 4 .   ? 0.629   -18.644 -0.478  1.00 21.75 ? 442 HOH A O   1 
HETATM 3772 O O   . HOH K 4 .   ? 19.582  -23.096 17.307  1.00 39.66 ? 443 HOH A O   1 
HETATM 3773 O O   . HOH K 4 .   ? -4.404  -9.386  11.410  1.00 22.62 ? 444 HOH A O   1 
HETATM 3774 O O   . HOH K 4 .   ? -7.938  -17.589 21.013  1.00 48.48 ? 445 HOH A O   1 
HETATM 3775 O O   . HOH K 4 .   ? 0.086   -23.755 4.120   1.00 25.34 ? 446 HOH A O   1 
HETATM 3776 O O   . HOH K 4 .   ? -15.594 -10.878 9.347   1.00 44.16 ? 447 HOH A O   1 
HETATM 3777 O O   . HOH K 4 .   ? -4.941  -22.745 4.028   1.00 31.34 ? 448 HOH A O   1 
HETATM 3778 O O   . HOH K 4 .   ? 6.994   -26.860 16.026  1.00 36.90 ? 449 HOH A O   1 
HETATM 3779 O O   . HOH K 4 .   ? 15.972  -22.349 15.553  1.00 22.27 ? 450 HOH A O   1 
HETATM 3780 O O   . HOH K 4 .   ? 0.050   -8.074  21.684  1.00 29.61 ? 451 HOH A O   1 
HETATM 3781 O O   . HOH K 4 .   ? -4.511  -14.878 24.608  1.00 36.63 ? 452 HOH A O   1 
HETATM 3782 O O   . HOH K 4 .   ? 3.177   5.331   4.234   1.00 27.54 ? 453 HOH A O   1 
HETATM 3783 O O   . HOH K 4 .   ? 17.635  -17.668 11.681  1.00 15.76 ? 454 HOH A O   1 
HETATM 3784 O O   . HOH K 4 .   ? 2.670   -4.151  24.733  1.00 34.66 ? 455 HOH A O   1 
HETATM 3785 O O   . HOH K 4 .   ? 5.029   1.979   6.496   1.00 15.78 ? 456 HOH A O   1 
HETATM 3786 O O   . HOH K 4 .   ? -11.148 -16.421 1.349   1.00 24.10 ? 457 HOH A O   1 
HETATM 3787 O O   . HOH K 4 .   ? -0.561  -17.170 21.329  1.00 30.76 ? 458 HOH A O   1 
HETATM 3788 O O   . HOH K 4 .   ? -5.529  -4.506  0.407   1.00 12.89 ? 459 HOH A O   1 
HETATM 3789 O O   . HOH K 4 .   ? 1.573   13.034  5.832   1.00 19.34 ? 460 HOH A O   1 
HETATM 3790 O O   . HOH K 4 .   ? -2.075  12.124  -2.248  1.00 35.27 ? 461 HOH A O   1 
HETATM 3791 O O   . HOH K 4 .   ? -13.575 -14.526 9.146   1.00 35.95 ? 462 HOH A O   1 
HETATM 3792 O O   . HOH K 4 .   ? -11.673 -14.906 -0.922  1.00 28.96 ? 463 HOH A O   1 
HETATM 3793 O O   . HOH K 4 .   ? 23.641  -23.253 10.178  1.00 40.51 ? 464 HOH A O   1 
HETATM 3794 O O   . HOH K 4 .   ? -5.874  -19.159 7.613   1.00 18.09 ? 465 HOH A O   1 
HETATM 3795 O O   . HOH K 4 .   ? 23.978  -17.168 15.768  1.00 41.11 ? 466 HOH A O   1 
HETATM 3796 O O   . HOH K 4 .   ? 19.514  -18.833 13.585  1.00 17.58 ? 467 HOH A O   1 
HETATM 3797 O O   . HOH K 4 .   ? 8.867   -24.502 24.843  1.00 52.04 ? 468 HOH A O   1 
HETATM 3798 O O   . HOH K 4 .   ? -13.256 -2.042  -0.585  1.00 37.46 ? 469 HOH A O   1 
HETATM 3799 O O   . HOH K 4 .   ? 5.829   -11.068 19.912  1.00 20.38 ? 470 HOH A O   1 
HETATM 3800 O O   . HOH K 4 .   ? 15.677  -20.174 20.818  1.00 35.20 ? 471 HOH A O   1 
HETATM 3801 O O   . HOH K 4 .   ? -14.678 -10.634 -5.740  1.00 29.84 ? 472 HOH A O   1 
HETATM 3802 O O   . HOH K 4 .   ? -6.139  -13.131 -0.411  1.00 15.69 ? 473 HOH A O   1 
HETATM 3803 O O   . HOH K 4 .   ? -3.024  -9.429  15.483  1.00 34.91 ? 474 HOH A O   1 
HETATM 3804 O O   . HOH K 4 .   ? -6.648  2.259   3.095   1.00 26.97 ? 475 HOH A O   1 
HETATM 3805 O O   . HOH K 4 .   ? -6.656  -1.998  7.433   1.00 24.88 ? 476 HOH A O   1 
HETATM 3806 O O   . HOH K 4 .   ? 9.767   -28.161 -0.154  1.00 36.69 ? 477 HOH A O   1 
HETATM 3807 O O   . HOH K 4 .   ? 6.004   -22.877 0.970   1.00 20.18 ? 478 HOH A O   1 
HETATM 3808 O O   . HOH K 4 .   ? -2.750  -8.275  21.236  1.00 34.92 ? 479 HOH A O   1 
HETATM 3809 O O   . HOH K 4 .   ? 7.213   -28.762 5.459   1.00 44.70 ? 480 HOH A O   1 
HETATM 3810 O O   . HOH K 4 .   ? -3.403  3.480   10.039  1.00 24.61 ? 481 HOH A O   1 
HETATM 3811 O O   . HOH K 4 .   ? 14.487  -23.757 9.312   1.00 24.25 ? 482 HOH A O   1 
HETATM 3812 O O   . HOH K 4 .   ? 0.552   8.299   -0.176  1.00 37.37 ? 483 HOH A O   1 
HETATM 3813 O O   . HOH K 4 .   ? 9.261   -17.313 23.521  1.00 37.65 ? 484 HOH A O   1 
HETATM 3814 O O   . HOH K 4 .   ? -13.040 -17.088 -2.203  1.00 32.54 ? 485 HOH A O   1 
HETATM 3815 O O   . HOH K 4 .   ? 11.589  -14.240 20.561  1.00 34.86 ? 486 HOH A O   1 
HETATM 3816 O O   . HOH K 4 .   ? -0.149  -27.800 13.042  1.00 27.00 ? 487 HOH A O   1 
HETATM 3817 O O   . HOH K 4 .   ? -11.754 -5.539  15.237  1.00 31.20 ? 488 HOH A O   1 
HETATM 3818 O O   . HOH K 4 .   ? 19.451  -25.386 14.080  1.00 47.27 ? 489 HOH A O   1 
HETATM 3819 O O   . HOH K 4 .   ? 13.871  -26.778 5.317   1.00 43.35 ? 490 HOH A O   1 
HETATM 3820 O O   . HOH K 4 .   ? -11.218 -4.647  -4.376  1.00 29.60 ? 491 HOH A O   1 
HETATM 3821 O O   . HOH K 4 .   ? -2.735  14.623  -0.056  1.00 21.43 ? 492 HOH A O   1 
HETATM 3822 O O   . HOH K 4 .   ? -7.027  -20.631 27.775  1.00 35.16 ? 493 HOH A O   1 
HETATM 3823 O O   . HOH K 4 .   ? 10.037  -10.980 17.595  1.00 31.11 ? 494 HOH A O   1 
HETATM 3824 O O   . HOH K 4 .   ? -8.814  -11.552 -4.538  1.00 34.86 ? 495 HOH A O   1 
HETATM 3825 O O   . HOH K 4 .   ? -12.758 -8.742  12.571  1.00 39.96 ? 496 HOH A O   1 
HETATM 3826 O O   . HOH K 4 .   ? 0.102   -26.226 7.028   1.00 26.08 ? 497 HOH A O   1 
HETATM 3827 O O   . HOH K 4 .   ? -6.055  8.803   3.071   1.00 20.25 ? 498 HOH A O   1 
HETATM 3828 O O   . HOH K 4 .   ? -8.975  12.447  5.065   1.00 40.40 ? 499 HOH A O   1 
HETATM 3829 O O   . HOH K 4 .   ? -6.448  14.744  4.738   1.00 35.33 ? 500 HOH A O   1 
HETATM 3830 O O   . HOH K 4 .   ? -7.975  -16.960 25.915  1.00 45.25 ? 501 HOH A O   1 
HETATM 3831 O O   . HOH K 4 .   ? -6.893  3.400   0.144   1.00 19.10 ? 502 HOH A O   1 
HETATM 3832 O O   . HOH K 4 .   ? 6.317   -14.153 23.631  1.00 40.32 ? 503 HOH A O   1 
HETATM 3833 O O   . HOH K 4 .   ? -14.472 -4.259  1.279   1.00 30.26 ? 504 HOH A O   1 
HETATM 3834 O O   . HOH K 4 .   ? -0.902  -23.356 25.136  1.00 38.27 ? 505 HOH A O   1 
HETATM 3835 O O   . HOH K 4 .   ? 8.821   -24.770 -1.893  1.00 41.77 ? 506 HOH A O   1 
HETATM 3836 O O   . HOH K 4 .   ? -10.358 -0.622  6.376   1.00 43.50 ? 507 HOH A O   1 
HETATM 3837 O O   . HOH K 4 .   ? 8.615   -26.978 8.887   1.00 34.82 ? 508 HOH A O   1 
HETATM 3838 O O   . HOH K 4 .   ? -9.150  -22.438 9.671   1.00 39.98 ? 509 HOH A O   1 
HETATM 3839 O O   . HOH K 4 .   ? 4.823   -12.011 24.104  1.00 37.37 ? 510 HOH A O   1 
HETATM 3840 O O   . HOH K 4 .   ? -16.219 -6.067  10.194  1.00 54.44 ? 511 HOH A O   1 
HETATM 3841 O O   . HOH K 4 .   ? -16.577 -8.353  10.190  1.00 55.27 ? 512 HOH A O   1 
HETATM 3842 O O   . HOH K 4 .   ? -5.332  -0.368  9.172   1.00 27.66 ? 513 HOH A O   1 
HETATM 3843 O O   . HOH K 4 .   ? 0.929   15.786  6.351   1.00 33.16 ? 514 HOH A O   1 
HETATM 3844 O O   . HOH K 4 .   ? 24.498  -18.663 21.306  1.00 45.27 ? 515 HOH A O   1 
HETATM 3845 O O   . HOH K 4 .   ? -4.684  -27.237 19.033  1.00 42.85 ? 516 HOH A O   1 
HETATM 3846 O O   . HOH K 4 .   ? 1.066   -10.518 21.980  1.00 34.95 ? 517 HOH A O   1 
HETATM 3847 O O   . HOH K 4 .   ? 11.132  -25.154 10.127  1.00 45.85 ? 518 HOH A O   1 
HETATM 3848 O O   . HOH K 4 .   ? 4.302   6.943   8.612   1.00 32.69 ? 519 HOH A O   1 
HETATM 3849 O O   . HOH K 4 .   ? 0.137   -16.562 23.806  1.00 42.18 ? 520 HOH A O   1 
HETATM 3850 O O   . HOH K 4 .   ? -15.612 -15.770 7.713   1.00 43.89 ? 521 HOH A O   1 
HETATM 3851 O O   . HOH K 4 .   ? 10.413  -26.425 -2.051  1.00 52.66 ? 522 HOH A O   1 
HETATM 3852 O O   . HOH K 4 .   ? -9.142  -20.151 28.315  1.00 43.63 ? 523 HOH A O   1 
HETATM 3853 O O   . HOH K 4 .   ? 5.004   -18.467 -3.194  1.00 38.79 ? 524 HOH A O   1 
HETATM 3854 O O   . HOH K 4 .   ? 4.192   11.997  5.891   1.00 34.99 ? 525 HOH A O   1 
HETATM 3855 O O   . HOH K 4 .   ? 0.209   -6.890  24.763  1.00 42.68 ? 526 HOH A O   1 
HETATM 3856 O O   . HOH K 4 .   ? -11.265 -15.440 13.002  1.00 45.22 ? 527 HOH A O   1 
HETATM 3857 O O   . HOH K 4 .   ? -6.299  7.797   5.810   1.00 38.62 ? 528 HOH A O   1 
HETATM 3858 O O   . HOH K 4 .   ? -1.698  -28.858 10.540  1.00 39.00 ? 529 HOH A O   1 
HETATM 3859 O O   . HOH K 4 .   ? 7.136   -28.272 1.885   1.00 33.76 ? 530 HOH A O   1 
HETATM 3860 O O   . HOH K 4 .   ? -5.292  5.188   7.639   1.00 43.82 ? 531 HOH A O   1 
HETATM 3861 O O   . HOH K 4 .   ? 1.428   -25.540 0.077   1.00 41.89 ? 532 HOH A O   1 
HETATM 3862 O O   . HOH K 4 .   ? 11.848  -16.228 23.797  1.00 42.15 ? 533 HOH A O   1 
HETATM 3863 O O   . HOH K 4 .   ? 13.313  -15.816 21.747  1.00 37.84 ? 534 HOH A O   1 
HETATM 3864 O O   . HOH K 4 .   ? 17.240  -24.659 14.968  1.00 45.91 ? 535 HOH A O   1 
HETATM 3865 O O   . HOH K 4 .   ? 1.770   16.565  4.052   1.00 44.95 ? 536 HOH A O   1 
HETATM 3866 O O   . HOH K 4 .   ? 10.611  -11.938 21.979  1.00 38.58 ? 537 HOH A O   1 
HETATM 3867 O O   . HOH K 4 .   ? -7.799  -23.849 26.151  1.00 39.05 ? 538 HOH A O   1 
HETATM 3868 O O   . HOH K 4 .   ? 12.175  -26.099 11.957  1.00 56.34 ? 539 HOH A O   1 
HETATM 3869 O O   . HOH K 4 .   ? -7.984  -24.701 10.632  1.00 41.89 ? 540 HOH A O   1 
HETATM 3870 O O   . HOH K 4 .   ? 15.538  -25.297 19.731  1.00 46.83 ? 541 HOH A O   1 
HETATM 3871 O O   . HOH K 4 .   ? -5.300  3.928   12.019  1.00 37.21 ? 542 HOH A O   1 
HETATM 3872 O O   . HOH K 4 .   ? 4.515   -24.114 -3.039  1.00 38.70 ? 543 HOH A O   1 
HETATM 3873 O O   . HOH K 4 .   ? -10.979 -18.685 0.549   1.00 36.73 ? 544 HOH A O   1 
HETATM 3874 O O   . HOH K 4 .   ? -2.370  -23.879 3.260   1.00 45.20 ? 545 HOH A O   1 
HETATM 3875 O O   . HOH K 4 .   ? -13.157 -14.657 13.941  1.00 46.23 ? 546 HOH A O   1 
HETATM 3876 O O   . HOH K 4 .   ? -6.954  0.605   10.841  1.00 43.38 ? 547 HOH A O   1 
HETATM 3877 O O   . HOH K 4 .   ? 13.965  -28.984 4.765   1.00 49.27 ? 548 HOH A O   1 
HETATM 3878 O O   . HOH K 4 .   ? 9.619   -31.050 1.627   1.00 47.83 ? 549 HOH A O   1 
HETATM 3879 O O   . HOH K 4 .   ? 6.354   -21.050 -3.497  1.00 42.85 ? 550 HOH A O   1 
HETATM 3880 O O   . HOH K 4 .   ? -6.996  -19.028 -0.494  1.00 44.73 ? 551 HOH A O   1 
HETATM 3881 O O   . HOH K 4 .   ? 5.520   -27.545 -0.103  1.00 28.94 ? 552 HOH A O   1 
HETATM 3882 O O   . HOH K 4 .   ? -0.611  -26.078 -1.973  1.00 44.11 ? 553 HOH A O   1 
HETATM 3883 O O   . HOH K 4 .   ? 5.046   -25.176 -5.276  1.00 42.80 ? 554 HOH A O   1 
HETATM 3884 O O   . HOH L 4 .   ? 1.771   -5.270  27.202  1.00 52.38 ? 401 HOH B O   1 
HETATM 3885 O O   . HOH L 4 .   ? 12.037  -5.658  26.957  1.00 30.18 ? 402 HOH B O   1 
HETATM 3886 O O   . HOH L 4 .   ? 13.863  -2.942  30.664  1.00 21.44 ? 403 HOH B O   1 
HETATM 3887 O O   . HOH L 4 .   ? -13.068 10.774  32.707  1.00 35.51 ? 404 HOH B O   1 
HETATM 3888 O O   . HOH L 4 .   ? 14.323  -5.931  31.555  1.00 37.53 ? 405 HOH B O   1 
HETATM 3889 O O   . HOH L 4 .   ? 3.544   7.595   23.911  1.00 20.39 ? 406 HOH B O   1 
HETATM 3890 O O   . HOH L 4 .   ? 0.647   2.469   41.099  1.00 29.94 ? 407 HOH B O   1 
HETATM 3891 O O   . HOH L 4 .   ? 9.855   11.520  41.086  1.00 29.30 ? 408 HOH B O   1 
HETATM 3892 O O   . HOH L 4 .   ? 0.482   10.560  42.654  1.00 36.48 ? 409 HOH B O   1 
HETATM 3893 O O   . HOH L 4 .   ? 5.002   -6.990  26.126  1.00 37.47 ? 410 HOH B O   1 
HETATM 3894 O O   . HOH L 4 .   ? 26.859  -0.356  8.416   1.00 36.01 ? 411 HOH B O   1 
HETATM 3895 O O   . HOH L 4 .   ? -10.276 11.657  33.989  1.00 34.45 ? 412 HOH B O   1 
HETATM 3896 O O   . HOH L 4 .   ? 24.420  2.289   30.817  1.00 20.77 ? 413 HOH B O   1 
HETATM 3897 O O   . HOH L 4 .   ? 3.937   -2.088  43.036  1.00 20.71 ? 414 HOH B O   1 
HETATM 3898 O O   . HOH L 4 .   ? 18.031  9.180   31.788  1.00 12.20 ? 415 HOH B O   1 
HETATM 3899 O O   . HOH L 4 .   ? 19.257  7.022   13.871  1.00 28.82 ? 416 HOH B O   1 
HETATM 3900 O O   . HOH L 4 .   ? 15.351  6.164   15.815  1.00 19.64 ? 417 HOH B O   1 
HETATM 3901 O O   . HOH L 4 .   ? 24.616  9.446   13.130  1.00 39.04 ? 418 HOH B O   1 
HETATM 3902 O O   . HOH L 4 .   ? -5.483  8.736   27.579  1.00 13.12 ? 419 HOH B O   1 
HETATM 3903 O O   . HOH L 4 .   ? 31.376  4.335   10.630  1.00 39.04 ? 420 HOH B O   1 
HETATM 3904 O O   . HOH L 4 .   ? -7.597  4.811   32.012  1.00 25.61 ? 421 HOH B O   1 
HETATM 3905 O O   . HOH L 4 .   ? -1.172  -8.279  38.301  1.00 42.35 ? 422 HOH B O   1 
HETATM 3906 O O   . HOH L 4 .   ? -0.569  -5.332  38.615  1.00 22.44 ? 423 HOH B O   1 
HETATM 3907 O O   . HOH L 4 .   ? 13.276  8.847   41.814  1.00 35.58 ? 424 HOH B O   1 
HETATM 3908 O O   . HOH L 4 .   ? 4.627   17.672  38.538  1.00 34.91 ? 425 HOH B O   1 
HETATM 3909 O O   . HOH L 4 .   ? 14.763  14.886  33.189  1.00 18.48 ? 426 HOH B O   1 
HETATM 3910 O O   . HOH L 4 .   ? 17.746  1.019   12.962  1.00 18.89 ? 427 HOH B O   1 
HETATM 3911 O O   . HOH L 4 .   ? -11.295 4.598   31.162  1.00 24.34 ? 428 HOH B O   1 
HETATM 3912 O O   . HOH L 4 .   ? 20.219  0.518   19.765  1.00 15.90 ? 429 HOH B O   1 
HETATM 3913 O O   . HOH L 4 .   ? -1.564  15.690  30.554  1.00 14.02 ? 430 HOH B O   1 
HETATM 3914 O O   . HOH L 4 .   ? 8.360   15.173  33.395  1.00 19.68 ? 431 HOH B O   1 
HETATM 3915 O O   . HOH L 4 .   ? 10.802  -7.214  36.883  1.00 34.71 ? 432 HOH B O   1 
HETATM 3916 O O   . HOH L 4 .   ? 23.478  7.392   26.974  1.00 13.07 ? 433 HOH B O   1 
HETATM 3917 O O   . HOH L 4 .   ? 6.217   13.678  38.486  1.00 18.65 ? 434 HOH B O   1 
HETATM 3918 O O   . HOH L 4 .   ? -1.230  -6.866  29.381  1.00 32.52 ? 435 HOH B O   1 
HETATM 3919 O O   . HOH L 4 .   ? -12.332 7.894   24.791  1.00 26.66 ? 436 HOH B O   1 
HETATM 3920 O O   . HOH L 4 .   ? 6.557   17.188  32.783  1.00 23.79 ? 437 HOH B O   1 
HETATM 3921 O O   . HOH L 4 .   ? -0.949  5.115   42.841  1.00 35.46 ? 438 HOH B O   1 
HETATM 3922 O O   . HOH L 4 .   ? 26.216  4.046   20.951  1.00 25.51 ? 439 HOH B O   1 
HETATM 3923 O O   . HOH L 4 .   ? 12.672  12.788  36.281  1.00 27.22 ? 440 HOH B O   1 
HETATM 3924 O O   . HOH L 4 .   ? 14.074  11.439  38.364  1.00 36.17 ? 441 HOH B O   1 
HETATM 3925 O O   . HOH L 4 .   ? -11.724 4.801   23.184  1.00 42.14 ? 442 HOH B O   1 
HETATM 3926 O O   . HOH L 4 .   ? 22.692  5.546   39.511  1.00 30.18 ? 443 HOH B O   1 
HETATM 3927 O O   . HOH L 4 .   ? -5.145  7.207   34.884  1.00 26.04 ? 444 HOH B O   1 
HETATM 3928 O O   . HOH L 4 .   ? 23.196  4.296   7.529   1.00 25.11 ? 445 HOH B O   1 
HETATM 3929 O O   . HOH L 4 .   ? -2.784  -4.591  40.439  1.00 28.93 ? 446 HOH B O   1 
HETATM 3930 O O   . HOH L 4 .   ? 20.603  8.582   35.134  1.00 18.40 ? 447 HOH B O   1 
HETATM 3931 O O   . HOH L 4 .   ? 10.524  -6.834  23.136  1.00 21.56 ? 448 HOH B O   1 
HETATM 3932 O O   . HOH L 4 .   ? 29.392  2.674   25.780  1.00 37.55 ? 449 HOH B O   1 
HETATM 3933 O O   . HOH L 4 .   ? -8.196  7.835   27.867  1.00 17.77 ? 450 HOH B O   1 
HETATM 3934 O O   . HOH L 4 .   ? -7.460  -4.808  36.119  1.00 39.68 ? 451 HOH B O   1 
HETATM 3935 O O   . HOH L 4 .   ? -17.785 7.940   32.929  1.00 22.09 ? 452 HOH B O   1 
HETATM 3936 O O   . HOH L 4 .   ? -3.775  -2.144  26.712  1.00 31.37 ? 453 HOH B O   1 
HETATM 3937 O O   . HOH L 4 .   ? 1.421   16.621  41.631  1.00 33.74 ? 454 HOH B O   1 
HETATM 3938 O O   . HOH L 4 .   ? 5.055   -7.942  33.909  1.00 28.80 ? 455 HOH B O   1 
HETATM 3939 O O   . HOH L 4 .   ? 20.988  10.293  31.903  1.00 20.86 ? 456 HOH B O   1 
HETATM 3940 O O   . HOH L 4 .   ? 29.803  7.525   8.700   1.00 33.80 ? 457 HOH B O   1 
HETATM 3941 O O   . HOH L 4 .   ? 26.921  1.233   5.774   1.00 41.90 ? 458 HOH B O   1 
HETATM 3942 O O   . HOH L 4 .   ? 21.165  -0.939  17.659  1.00 24.40 ? 459 HOH B O   1 
HETATM 3943 O O   . HOH L 4 .   ? 31.768  2.434   33.024  1.00 34.28 ? 460 HOH B O   1 
HETATM 3944 O O   . HOH L 4 .   ? 28.627  3.836   14.849  1.00 25.76 ? 461 HOH B O   1 
HETATM 3945 O O   . HOH L 4 .   ? 24.013  7.926   38.988  1.00 28.96 ? 462 HOH B O   1 
HETATM 3946 O O   . HOH L 4 .   ? -7.501  1.032   39.602  1.00 45.28 ? 463 HOH B O   1 
HETATM 3947 O O   . HOH L 4 .   ? 3.699   20.421  33.240  1.00 33.35 ? 464 HOH B O   1 
HETATM 3948 O O   . HOH L 4 .   ? 29.027  10.274  11.056  1.00 39.57 ? 465 HOH B O   1 
HETATM 3949 O O   . HOH L 4 .   ? -10.753 -4.509  38.532  1.00 44.94 ? 466 HOH B O   1 
HETATM 3950 O O   . HOH L 4 .   ? 15.539  1.189   41.526  1.00 46.91 ? 467 HOH B O   1 
HETATM 3951 O O   . HOH L 4 .   ? -1.127  8.139   40.408  1.00 35.46 ? 468 HOH B O   1 
HETATM 3952 O O   . HOH L 4 .   ? -11.655 13.580  30.032  1.00 39.01 ? 469 HOH B O   1 
HETATM 3953 O O   . HOH L 4 .   ? -7.706  2.535   33.350  1.00 39.67 ? 470 HOH B O   1 
HETATM 3954 O O   . HOH L 4 .   ? 13.010  -4.420  42.529  1.00 31.31 ? 471 HOH B O   1 
HETATM 3955 O O   . HOH L 4 .   ? -4.560  9.856   34.565  1.00 28.61 ? 472 HOH B O   1 
HETATM 3956 O O   . HOH L 4 .   ? 29.470  1.998   30.310  1.00 24.46 ? 473 HOH B O   1 
HETATM 3957 O O   . HOH L 4 .   ? 28.104  6.345   20.536  1.00 19.46 ? 474 HOH B O   1 
HETATM 3958 O O   . HOH L 4 .   ? -2.695  7.961   37.661  1.00 43.61 ? 475 HOH B O   1 
HETATM 3959 O O   . HOH L 4 .   ? 2.863   22.700  36.731  1.00 42.76 ? 476 HOH B O   1 
HETATM 3960 O O   . HOH L 4 .   ? -4.009  13.500  37.672  1.00 49.36 ? 477 HOH B O   1 
HETATM 3961 O O   . HOH L 4 .   ? -5.531  11.345  36.332  1.00 42.53 ? 478 HOH B O   1 
HETATM 3962 O O   . HOH L 4 .   ? 9.409   8.600   41.934  1.00 37.09 ? 479 HOH B O   1 
HETATM 3963 O O   . HOH L 4 .   ? -8.226  -0.913  28.674  1.00 40.22 ? 480 HOH B O   1 
HETATM 3964 O O   . HOH L 4 .   ? 14.436  -5.938  28.628  1.00 47.49 ? 481 HOH B O   1 
HETATM 3965 O O   . HOH L 4 .   ? 1.175   -0.700  23.800  1.00 27.34 ? 482 HOH B O   1 
HETATM 3966 O O   . HOH L 4 .   ? 17.208  3.713   11.353  1.00 29.82 ? 483 HOH B O   1 
HETATM 3967 O O   . HOH L 4 .   ? 16.630  6.875   43.165  1.00 47.12 ? 484 HOH B O   1 
HETATM 3968 O O   . HOH L 4 .   ? 16.830  -2.539  30.606  1.00 52.08 ? 485 HOH B O   1 
HETATM 3969 O O   . HOH L 4 .   ? 1.606   21.284  32.392  1.00 37.31 ? 486 HOH B O   1 
HETATM 3970 O O   . HOH L 4 .   ? 9.136   -9.703  19.668  1.00 42.26 ? 487 HOH B O   1 
HETATM 3971 O O   . HOH L 4 .   ? 24.048  10.847  35.913  1.00 37.78 ? 488 HOH B O   1 
HETATM 3972 O O   . HOH L 4 .   ? 21.592  -1.248  21.875  1.00 33.15 ? 489 HOH B O   1 
HETATM 3973 O O   . HOH L 4 .   ? -9.517  7.493   25.423  1.00 17.14 ? 490 HOH B O   1 
HETATM 3974 O O   . HOH L 4 .   ? 10.112  16.512  34.923  1.00 28.75 ? 491 HOH B O   1 
HETATM 3975 O O   . HOH L 4 .   ? -17.302 9.351   30.755  1.00 28.37 ? 492 HOH B O   1 
HETATM 3976 O O   . HOH L 4 .   ? 24.345  -0.015  17.278  1.00 42.13 ? 493 HOH B O   1 
HETATM 3977 O O   . HOH L 4 .   ? 11.675  -7.702  25.109  1.00 44.89 ? 494 HOH B O   1 
HETATM 3978 O O   . HOH L 4 .   ? 1.623   -11.247 35.669  1.00 43.59 ? 495 HOH B O   1 
HETATM 3979 O O   . HOH L 4 .   ? 26.718  0.721   29.757  1.00 30.36 ? 496 HOH B O   1 
HETATM 3980 O O   . HOH L 4 .   ? 17.564  5.469   9.926   1.00 53.29 ? 497 HOH B O   1 
HETATM 3981 O O   . HOH L 4 .   ? 23.539  15.123  9.134   1.00 43.78 ? 498 HOH B O   1 
HETATM 3982 O O   . HOH L 4 .   ? 1.157   -9.924  37.688  1.00 41.75 ? 499 HOH B O   1 
HETATM 3983 O O   . HOH L 4 .   ? 21.010  5.594   7.065   1.00 39.40 ? 500 HOH B O   1 
HETATM 3984 O O   . HOH L 4 .   ? 12.496  11.757  40.744  1.00 40.03 ? 501 HOH B O   1 
HETATM 3985 O O   . HOH L 4 .   ? 2.553   -9.209  25.568  1.00 41.09 ? 502 HOH B O   1 
HETATM 3986 O O   . HOH L 4 .   ? -16.843 10.283  35.018  1.00 45.04 ? 503 HOH B O   1 
HETATM 3987 O O   . HOH L 4 .   ? 3.361   15.168  41.936  1.00 42.40 ? 504 HOH B O   1 
HETATM 3988 O O   . HOH L 4 .   ? -13.752 12.607  29.886  1.00 38.23 ? 505 HOH B O   1 
HETATM 3989 O O   . HOH L 4 .   ? 14.737  15.636  35.978  1.00 39.63 ? 506 HOH B O   1 
HETATM 3990 O O   . HOH L 4 .   ? 12.404  15.729  36.303  1.00 29.06 ? 507 HOH B O   1 
HETATM 3991 O O   . HOH L 4 .   ? 22.544  -1.008  4.340   1.00 49.14 ? 508 HOH B O   1 
HETATM 3992 O O   . HOH L 4 .   ? -11.602 -0.885  36.330  1.00 44.61 ? 509 HOH B O   1 
HETATM 3993 O O   . HOH L 4 .   ? 26.098  5.150   4.404   1.00 46.02 ? 510 HOH B O   1 
HETATM 3994 O O   . HOH L 4 .   ? 21.932  -3.539  17.782  1.00 37.03 ? 511 HOH B O   1 
HETATM 3995 O O   . HOH L 4 .   ? 30.914  0.803   31.703  1.00 31.41 ? 512 HOH B O   1 
HETATM 3996 O O   . HOH L 4 .   ? 23.511  -3.081  4.806   1.00 45.05 ? 513 HOH B O   1 
HETATM 3997 O O   . HOH L 4 .   ? 21.801  9.744   37.466  1.00 39.78 ? 514 HOH B O   1 
HETATM 3998 O O   . HOH L 4 .   ? 6.204   22.329  32.507  1.00 49.64 ? 515 HOH B O   1 
HETATM 3999 O O   . HOH L 4 .   ? 8.409   17.868  36.760  1.00 32.38 ? 516 HOH B O   1 
HETATM 4000 O O   . HOH L 4 .   ? 10.334  19.087  37.882  1.00 39.52 ? 517 HOH B O   1 
HETATM 4001 O O   . HOH M 4 .   ? 8.523   25.692  5.449   1.00 37.93 ? 401 HOH C O   1 
HETATM 4002 O O   . HOH M 4 .   ? 23.701  17.054  10.429  1.00 39.48 ? 402 HOH C O   1 
HETATM 4003 O O   . HOH M 4 .   ? 10.956  22.447  0.901   1.00 40.50 ? 403 HOH C O   1 
HETATM 4004 O O   . HOH M 4 .   ? 15.331  7.141   22.551  1.00 25.18 ? 404 HOH C O   1 
HETATM 4005 O O   . HOH M 4 .   ? 5.370   26.488  18.731  1.00 26.94 ? 405 HOH C O   1 
HETATM 4006 O O   . HOH M 4 .   ? 24.989  18.462  29.005  1.00 41.53 ? 406 HOH C O   1 
HETATM 4007 O O   . HOH M 4 .   ? 2.993   15.299  16.062  1.00 26.33 ? 407 HOH C O   1 
HETATM 4008 O O   . HOH M 4 .   ? -7.837  7.601   22.954  1.00 23.83 ? 408 HOH C O   1 
HETATM 4009 O O   . HOH M 4 .   ? -0.110  28.651  16.538  1.00 47.74 ? 409 HOH C O   1 
HETATM 4010 O O   . HOH M 4 .   ? 26.388  18.035  31.390  1.00 39.96 ? 410 HOH C O   1 
HETATM 4011 O O   . HOH M 4 .   ? -0.096  21.467  18.065  1.00 32.34 ? 411 HOH C O   1 
HETATM 4012 O O   . HOH M 4 .   ? 10.094  11.502  27.775  1.00 12.02 ? 412 HOH C O   1 
HETATM 4013 O O   . HOH M 4 .   ? 19.866  22.517  11.105  1.00 27.11 ? 413 HOH C O   1 
HETATM 4014 O O   . HOH M 4 .   ? 15.765  27.364  14.225  1.00 24.68 ? 414 HOH C O   1 
HETATM 4015 O O   . HOH M 4 .   ? -4.804  17.480  21.477  1.00 20.10 ? 415 HOH C O   1 
HETATM 4016 O O   . HOH M 4 .   ? -3.992  -4.963  30.357  1.00 32.29 ? 416 HOH C O   1 
HETATM 4017 O O   . HOH M 4 .   ? 30.650  4.834   19.805  1.00 35.27 ? 417 HOH C O   1 
HETATM 4018 O O   . HOH M 4 .   ? 9.168   29.191  14.875  1.00 38.49 ? 418 HOH C O   1 
HETATM 4019 O O   . HOH M 4 .   ? 8.582   26.986  24.257  1.00 46.61 ? 419 HOH C O   1 
HETATM 4020 O O   . HOH M 4 .   ? 27.346  13.501  19.104  1.00 24.68 ? 420 HOH C O   1 
HETATM 4021 O O   . HOH M 4 .   ? 2.599   16.705  27.357  1.00 11.77 ? 421 HOH C O   1 
HETATM 4022 O O   . HOH M 4 .   ? 22.344  25.134  21.168  1.00 33.21 ? 422 HOH C O   1 
HETATM 4023 O O   . HOH M 4 .   ? -3.906  -5.279  26.047  1.00 53.08 ? 423 HOH C O   1 
HETATM 4024 O O   . HOH M 4 .   ? 4.817   16.176  14.424  1.00 20.24 ? 424 HOH C O   1 
HETATM 4025 O O   . HOH M 4 .   ? 25.665  19.331  7.965   1.00 40.28 ? 425 HOH C O   1 
HETATM 4026 O O   . HOH M 4 .   ? 13.253  16.763  31.677  1.00 19.99 ? 426 HOH C O   1 
HETATM 4027 O O   . HOH M 4 .   ? 25.584  16.405  21.955  1.00 23.00 ? 427 HOH C O   1 
HETATM 4028 O O   . HOH M 4 .   ? 31.514  13.674  25.648  1.00 26.14 ? 428 HOH C O   1 
HETATM 4029 O O   . HOH M 4 .   ? 11.394  29.757  18.648  1.00 35.06 ? 429 HOH C O   1 
HETATM 4030 O O   . HOH M 4 .   ? 37.065  8.634   21.091  1.00 26.46 ? 430 HOH C O   1 
HETATM 4031 O O   . HOH M 4 .   ? -6.325  9.428   19.864  1.00 33.36 ? 431 HOH C O   1 
HETATM 4032 O O   . HOH M 4 .   ? 14.568  28.361  21.021  1.00 32.09 ? 432 HOH C O   1 
HETATM 4033 O O   . HOH M 4 .   ? 5.596   28.426  25.456  1.00 46.94 ? 433 HOH C O   1 
HETATM 4034 O O   . HOH M 4 .   ? 30.983  11.912  18.393  1.00 23.77 ? 434 HOH C O   1 
HETATM 4035 O O   . HOH M 4 .   ? 24.859  9.165   22.634  1.00 15.02 ? 435 HOH C O   1 
HETATM 4036 O O   . HOH M 4 .   ? 22.591  11.952  30.320  1.00 17.53 ? 436 HOH C O   1 
HETATM 4037 O O   . HOH M 4 .   ? 38.286  11.730  19.834  1.00 32.72 ? 437 HOH C O   1 
HETATM 4038 O O   . HOH M 4 .   ? 7.140   27.831  14.267  1.00 37.24 ? 438 HOH C O   1 
HETATM 4039 O O   . HOH M 4 .   ? 25.187  14.738  33.220  1.00 36.54 ? 439 HOH C O   1 
HETATM 4040 O O   . HOH M 4 .   ? -1.164  -0.801  17.361  1.00 20.43 ? 440 HOH C O   1 
HETATM 4041 O O   . HOH M 4 .   ? 15.757  17.557  35.372  1.00 44.07 ? 441 HOH C O   1 
HETATM 4042 O O   . HOH M 4 .   ? 9.023   20.859  29.726  1.00 21.14 ? 442 HOH C O   1 
HETATM 4043 O O   . HOH M 4 .   ? -11.114 15.761  24.838  1.00 36.16 ? 443 HOH C O   1 
HETATM 4044 O O   . HOH M 4 .   ? 4.487   24.516  13.707  1.00 35.60 ? 444 HOH C O   1 
HETATM 4045 O O   . HOH M 4 .   ? 16.822  27.685  26.862  1.00 34.54 ? 445 HOH C O   1 
HETATM 4046 O O   . HOH M 4 .   ? -4.054  11.194  18.781  1.00 26.39 ? 446 HOH C O   1 
HETATM 4047 O O   . HOH M 4 .   ? -4.069  4.402   16.524  1.00 27.58 ? 447 HOH C O   1 
HETATM 4048 O O   . HOH M 4 .   ? -11.384 -3.666  17.053  1.00 37.54 ? 448 HOH C O   1 
HETATM 4049 O O   . HOH M 4 .   ? 13.806  29.345  14.261  1.00 31.25 ? 449 HOH C O   1 
HETATM 4050 O O   . HOH M 4 .   ? 12.849  25.049  25.824  1.00 28.91 ? 450 HOH C O   1 
HETATM 4051 O O   . HOH M 4 .   ? -1.524  -0.204  23.698  1.00 27.84 ? 451 HOH C O   1 
HETATM 4052 O O   . HOH M 4 .   ? -3.731  13.007  25.979  1.00 14.07 ? 452 HOH C O   1 
HETATM 4053 O O   . HOH M 4 .   ? 2.346   1.157   22.347  1.00 16.52 ? 453 HOH C O   1 
HETATM 4054 O O   . HOH M 4 .   ? 12.733  10.750  8.565   1.00 23.40 ? 454 HOH C O   1 
HETATM 4055 O O   . HOH M 4 .   ? 27.503  8.938   21.353  1.00 17.33 ? 455 HOH C O   1 
HETATM 4056 O O   . HOH M 4 .   ? -2.717  6.260   17.959  1.00 15.58 ? 456 HOH C O   1 
HETATM 4057 O O   . HOH M 4 .   ? 6.652   24.585  20.293  1.00 23.40 ? 457 HOH C O   1 
HETATM 4058 O O   . HOH M 4 .   ? 14.017  28.494  7.947   1.00 33.36 ? 458 HOH C O   1 
HETATM 4059 O O   . HOH M 4 .   ? 27.246  14.881  16.381  1.00 35.43 ? 459 HOH C O   1 
HETATM 4060 O O   . HOH M 4 .   ? -0.079  17.255  28.869  1.00 26.97 ? 460 HOH C O   1 
HETATM 4061 O O   . HOH M 4 .   ? -3.609  16.163  10.201  1.00 37.67 ? 461 HOH C O   1 
HETATM 4062 O O   . HOH M 4 .   ? 15.559  29.413  19.086  1.00 45.82 ? 462 HOH C O   1 
HETATM 4063 O O   . HOH M 4 .   ? -14.392 -1.671  22.601  1.00 35.45 ? 463 HOH C O   1 
HETATM 4064 O O   . HOH M 4 .   ? 0.634   20.465  27.340  1.00 15.81 ? 464 HOH C O   1 
HETATM 4065 O O   . HOH M 4 .   ? 12.381  24.622  28.534  1.00 30.60 ? 465 HOH C O   1 
HETATM 4066 O O   . HOH M 4 .   ? 8.314   10.840  7.339   1.00 29.73 ? 466 HOH C O   1 
HETATM 4067 O O   . HOH M 4 .   ? -7.911  19.419  27.910  1.00 35.94 ? 467 HOH C O   1 
HETATM 4068 O O   . HOH M 4 .   ? 16.151  21.262  30.146  1.00 22.79 ? 468 HOH C O   1 
HETATM 4069 O O   . HOH M 4 .   ? 7.565   23.190  29.000  1.00 33.22 ? 469 HOH C O   1 
HETATM 4070 O O   . HOH M 4 .   ? 34.393  7.814   22.003  1.00 28.16 ? 470 HOH C O   1 
HETATM 4071 O O   . HOH M 4 .   ? 14.242  9.939   10.804  1.00 24.59 ? 471 HOH C O   1 
HETATM 4072 O O   . HOH M 4 .   ? -11.072 2.069   22.084  1.00 24.45 ? 472 HOH C O   1 
HETATM 4073 O O   . HOH M 4 .   ? -10.365 16.041  20.905  1.00 41.76 ? 473 HOH C O   1 
HETATM 4074 O O   . HOH M 4 .   ? 17.567  27.515  17.430  1.00 31.15 ? 474 HOH C O   1 
HETATM 4075 O O   . HOH M 4 .   ? 27.045  11.537  13.644  1.00 42.24 ? 475 HOH C O   1 
HETATM 4076 O O   . HOH M 4 .   ? 23.220  22.586  16.678  1.00 42.09 ? 476 HOH C O   1 
HETATM 4077 O O   . HOH M 4 .   ? 25.368  15.994  24.755  1.00 21.42 ? 477 HOH C O   1 
HETATM 4078 O O   . HOH M 4 .   ? 20.406  13.710  36.099  1.00 38.50 ? 478 HOH C O   1 
HETATM 4079 O O   . HOH M 4 .   ? -6.270  -0.861  26.810  1.00 30.48 ? 479 HOH C O   1 
HETATM 4080 O O   . HOH M 4 .   ? -11.339 -2.611  27.924  1.00 38.71 ? 480 HOH C O   1 
HETATM 4081 O O   . HOH M 4 .   ? 8.126   5.637   5.197   1.00 33.84 ? 481 HOH C O   1 
HETATM 4082 O O   . HOH M 4 .   ? 33.302  10.580  25.503  1.00 25.52 ? 482 HOH C O   1 
HETATM 4083 O O   . HOH M 4 .   ? 31.671  9.885   27.601  1.00 36.64 ? 483 HOH C O   1 
HETATM 4084 O O   . HOH M 4 .   ? -3.830  21.214  30.904  1.00 49.07 ? 484 HOH C O   1 
HETATM 4085 O O   . HOH M 4 .   ? -6.820  -5.860  20.851  1.00 24.93 ? 485 HOH C O   1 
HETATM 4086 O O   . HOH M 4 .   ? -8.963  -7.605  20.145  1.00 27.11 ? 486 HOH C O   1 
HETATM 4087 O O   . HOH M 4 .   ? -9.401  16.649  29.129  1.00 29.93 ? 487 HOH C O   1 
HETATM 4088 O O   . HOH M 4 .   ? -0.970  25.818  24.678  1.00 32.58 ? 488 HOH C O   1 
HETATM 4089 O O   . HOH M 4 .   ? -12.647 -4.140  25.462  1.00 33.36 ? 489 HOH C O   1 
HETATM 4090 O O   . HOH M 4 .   ? 22.283  23.932  11.636  1.00 43.20 ? 490 HOH C O   1 
HETATM 4091 O O   . HOH M 4 .   ? 20.796  9.247   12.185  1.00 38.08 ? 491 HOH C O   1 
HETATM 4092 O O   . HOH M 4 .   ? 34.675  3.611   18.001  1.00 42.23 ? 492 HOH C O   1 
HETATM 4093 O O   . HOH M 4 .   ? 23.890  19.267  22.641  1.00 36.37 ? 493 HOH C O   1 
HETATM 4094 O O   . HOH M 4 .   ? -10.453 18.179  22.945  1.00 39.58 ? 494 HOH C O   1 
HETATM 4095 O O   . HOH M 4 .   ? 31.566  14.428  21.620  1.00 41.18 ? 495 HOH C O   1 
HETATM 4096 O O   . HOH M 4 .   ? 13.212  18.719  8.373   1.00 36.43 ? 496 HOH C O   1 
HETATM 4097 O O   . HOH M 4 .   ? 26.991  17.650  26.320  1.00 40.59 ? 497 HOH C O   1 
HETATM 4098 O O   . HOH M 4 .   ? 18.582  28.322  11.396  1.00 41.96 ? 498 HOH C O   1 
HETATM 4099 O O   . HOH M 4 .   ? 6.873   28.874  17.747  1.00 40.57 ? 499 HOH C O   1 
HETATM 4100 O O   . HOH M 4 .   ? -2.194  25.010  27.196  1.00 34.03 ? 500 HOH C O   1 
HETATM 4101 O O   . HOH M 4 .   ? -1.185  28.621  19.254  1.00 45.11 ? 501 HOH C O   1 
HETATM 4102 O O   . HOH M 4 .   ? 20.759  24.671  29.129  1.00 34.11 ? 502 HOH C O   1 
HETATM 4103 O O   . HOH M 4 .   ? 16.729  7.607   14.053  1.00 38.64 ? 503 HOH C O   1 
HETATM 4104 O O   . HOH M 4 .   ? 0.744   23.874  26.979  1.00 33.20 ? 504 HOH C O   1 
HETATM 4105 O O   . HOH M 4 .   ? 18.800  17.455  3.380   1.00 45.59 ? 505 HOH C O   1 
HETATM 4106 O O   . HOH M 4 .   ? -14.568 -2.669  19.767  1.00 45.73 ? 506 HOH C O   1 
HETATM 4107 O O   . HOH M 4 .   ? 15.618  6.292   11.876  1.00 45.89 ? 507 HOH C O   1 
HETATM 4108 O O   . HOH M 4 .   ? 20.516  27.899  20.751  1.00 47.28 ? 508 HOH C O   1 
HETATM 4109 O O   . HOH M 4 .   ? 15.146  26.921  23.299  1.00 33.37 ? 509 HOH C O   1 
HETATM 4110 O O   . HOH M 4 .   ? 22.724  22.134  23.812  1.00 34.72 ? 510 HOH C O   1 
HETATM 4111 O O   . HOH M 4 .   ? -3.621  8.936   16.924  1.00 39.80 ? 511 HOH C O   1 
HETATM 4112 O O   . HOH M 4 .   ? 11.361  18.286  33.299  1.00 31.06 ? 512 HOH C O   1 
HETATM 4113 O O   . HOH M 4 .   ? 22.025  11.593  35.077  1.00 38.20 ? 513 HOH C O   1 
HETATM 4114 O O   . HOH M 4 .   ? 5.751   21.092  4.634   1.00 42.34 ? 514 HOH C O   1 
HETATM 4115 O O   . HOH M 4 .   ? -4.609  -6.485  21.977  1.00 38.36 ? 515 HOH C O   1 
HETATM 4116 O O   . HOH M 4 .   ? 23.048  10.883  9.540   1.00 51.13 ? 516 HOH C O   1 
HETATM 4117 O O   . HOH M 4 .   ? 31.814  3.965   15.118  1.00 50.24 ? 517 HOH C O   1 
HETATM 4118 O O   . HOH M 4 .   ? 2.776   24.935  26.435  1.00 47.88 ? 518 HOH C O   1 
HETATM 4119 O O   . HOH M 4 .   ? 7.791   8.704   3.886   1.00 45.71 ? 519 HOH C O   1 
HETATM 4120 O O   . HOH M 4 .   ? 23.820  20.029  24.920  1.00 50.51 ? 520 HOH C O   1 
HETATM 4121 O O   . HOH M 4 .   ? -3.121  27.934  17.367  1.00 45.63 ? 521 HOH C O   1 
HETATM 4122 O O   . HOH M 4 .   ? 6.706   30.981  12.652  1.00 42.58 ? 522 HOH C O   1 
HETATM 4123 O O   . HOH M 4 .   ? 10.715  26.446  25.747  1.00 41.26 ? 523 HOH C O   1 
HETATM 4124 O O   . HOH M 4 .   ? 29.388  15.297  20.059  1.00 36.43 ? 524 HOH C O   1 
HETATM 4125 O O   . HOH M 4 .   ? 16.071  21.286  32.889  1.00 37.42 ? 525 HOH C O   1 
HETATM 4126 O O   . HOH M 4 .   ? 33.862  13.364  26.661  1.00 39.54 ? 526 HOH C O   1 
HETATM 4127 O O   . HOH M 4 .   ? -15.127 -3.480  24.575  1.00 38.50 ? 527 HOH C O   1 
HETATM 4128 O O   . HOH M 4 .   ? 18.405  28.552  14.926  1.00 42.81 ? 528 HOH C O   1 
HETATM 4129 O O   . HOH M 4 .   ? 28.147  17.282  21.303  1.00 44.19 ? 529 HOH C O   1 
HETATM 4130 O O   . HOH M 4 .   ? 9.207   29.653  17.372  1.00 38.26 ? 530 HOH C O   1 
HETATM 4131 O O   . HOH M 4 .   ? 17.081  28.494  23.517  1.00 46.02 ? 531 HOH C O   1 
HETATM 4132 O O   . HOH M 4 .   ? 20.437  26.704  27.973  1.00 49.51 ? 532 HOH C O   1 
HETATM 4133 O O   . HOH M 4 .   ? -10.059 20.474  28.138  1.00 48.22 ? 533 HOH C O   1 
HETATM 4134 O O   . HOH M 4 .   ? 9.457   19.895  32.639  1.00 42.80 ? 534 HOH C O   1 
HETATM 4135 O O   . HOH M 4 .   ? -5.347  5.476   14.322  1.00 43.24 ? 535 HOH C O   1 
HETATM 4136 O O   . HOH M 4 .   ? 14.445  19.729  34.372  1.00 40.50 ? 536 HOH C O   1 
HETATM 4137 O O   . HOH M 4 .   ? 19.123  28.334  26.907  1.00 37.03 ? 537 HOH C O   1 
HETATM 4138 O O   . HOH M 4 .   ? 36.607  2.795   19.436  1.00 37.59 ? 538 HOH C O   1 
HETATM 4139 O O   . HOH M 4 .   ? -5.021  9.025   14.992  1.00 46.06 ? 539 HOH C O   1 
HETATM 4140 O O   . HOH M 4 .   ? 16.201  14.192  38.323  1.00 44.34 ? 540 HOH C O   1 
HETATM 4141 O O   . HOH M 4 .   ? 15.489  30.362  7.363   1.00 43.45 ? 541 HOH C O   1 
HETATM 4142 O O   . HOH N 4 .   ? 19.127  -3.964  3.246   1.00 36.20 ? 401 HOH D O   1 
HETATM 4143 O O   . HOH N 4 .   ? 7.817   -0.111  -12.322 1.00 33.71 ? 402 HOH D O   1 
HETATM 4144 O O   . HOH N 4 .   ? 2.575   -4.036  4.738   1.00 33.43 ? 403 HOH D O   1 
HETATM 4145 O O   . HOH N 4 .   ? -6.860  -8.693  -8.291  1.00 42.49 ? 404 HOH D O   1 
HETATM 4146 O O   . HOH N 4 .   ? 7.544   7.347   -13.124 1.00 45.73 ? 405 HOH D O   1 
HETATM 4147 O O   . HOH N 4 .   ? 10.435  4.293   10.317  1.00 25.57 ? 406 HOH D O   1 
HETATM 4148 O O   . HOH N 4 .   ? 14.908  -17.394 20.662  1.00 34.27 ? 407 HOH D O   1 
HETATM 4149 O O   . HOH N 4 .   ? 23.505  -17.859 -7.978  1.00 47.56 ? 408 HOH D O   1 
HETATM 4150 O O   . HOH N 4 .   ? -5.615  6.041   -5.852  1.00 26.95 ? 409 HOH D O   1 
HETATM 4151 O O   . HOH N 4 .   ? 6.423   -11.462 2.442   1.00 11.62 ? 410 HOH D O   1 
HETATM 4152 O O   . HOH N 4 .   ? 23.612  -12.849 4.104   1.00 27.44 ? 411 HOH D O   1 
HETATM 4153 O O   . HOH N 4 .   ? 14.834  -14.652 0.951   1.00 14.27 ? 412 HOH D O   1 
HETATM 4154 O O   . HOH N 4 .   ? 13.990  1.615   -12.675 1.00 16.27 ? 413 HOH D O   1 
HETATM 4155 O O   . HOH N 4 .   ? 18.336  -2.179  1.892   1.00 22.62 ? 414 HOH D O   1 
HETATM 4156 O O   . HOH N 4 .   ? -8.152  -0.064  -8.611  1.00 35.88 ? 415 HOH D O   1 
HETATM 4157 O O   . HOH N 4 .   ? 21.306  -9.982  26.390  1.00 33.75 ? 416 HOH D O   1 
HETATM 4158 O O   . HOH N 4 .   ? -4.179  -8.265  -3.796  1.00 17.21 ? 417 HOH D O   1 
HETATM 4159 O O   . HOH N 4 .   ? -7.436  7.474   1.812   1.00 50.03 ? 418 HOH D O   1 
HETATM 4160 O O   . HOH N 4 .   ? 0.708   3.593   -11.385 1.00 36.92 ? 419 HOH D O   1 
HETATM 4161 O O   . HOH N 4 .   ? 10.445  -9.150  15.813  1.00 20.04 ? 420 HOH D O   1 
HETATM 4162 O O   . HOH N 4 .   ? 8.767   9.833   -0.537  1.00 38.81 ? 421 HOH D O   1 
HETATM 4163 O O   . HOH N 4 .   ? 3.387   -6.264  -14.384 1.00 31.55 ? 422 HOH D O   1 
HETATM 4164 O O   . HOH N 4 .   ? 10.830  7.289   -9.461  1.00 21.50 ? 423 HOH D O   1 
HETATM 4165 O O   . HOH N 4 .   ? 5.994   -1.714  -14.857 1.00 36.94 ? 424 HOH D O   1 
HETATM 4166 O O   . HOH N 4 .   ? 1.561   -14.561 -3.771  1.00 22.41 ? 425 HOH D O   1 
HETATM 4167 O O   . HOH N 4 .   ? 28.994  -12.281 -8.683  1.00 41.25 ? 426 HOH D O   1 
HETATM 4168 O O   . HOH N 4 .   ? -4.035  -0.122  -1.219  1.00 13.97 ? 427 HOH D O   1 
HETATM 4169 O O   . HOH N 4 .   ? 27.951  -6.038  -2.772  1.00 36.15 ? 428 HOH D O   1 
HETATM 4170 O O   . HOH N 4 .   ? 26.139  -19.931 11.267  1.00 46.87 ? 429 HOH D O   1 
HETATM 4171 O O   . HOH N 4 .   ? 10.004  5.601   4.088   1.00 31.40 ? 430 HOH D O   1 
HETATM 4172 O O   . HOH N 4 .   ? 29.713  -17.672 3.555   1.00 30.49 ? 431 HOH D O   1 
HETATM 4173 O O   . HOH N 4 .   ? 18.442  -7.689  13.768  1.00 18.14 ? 432 HOH D O   1 
HETATM 4174 O O   . HOH N 4 .   ? 14.430  -6.035  19.594  1.00 20.43 ? 433 HOH D O   1 
HETATM 4175 O O   . HOH N 4 .   ? 20.483  -1.441  -12.012 1.00 38.09 ? 434 HOH D O   1 
HETATM 4176 O O   . HOH N 4 .   ? -1.229  0.381   -8.070  1.00 24.92 ? 435 HOH D O   1 
HETATM 4177 O O   . HOH N 4 .   ? 19.808  -20.457 -1.197  1.00 40.84 ? 436 HOH D O   1 
HETATM 4178 O O   . HOH N 4 .   ? 20.672  -0.056  1.714   1.00 39.19 ? 437 HOH D O   1 
HETATM 4179 O O   . HOH N 4 .   ? 31.913  -16.750 -4.253  1.00 27.38 ? 438 HOH D O   1 
HETATM 4180 O O   . HOH N 4 .   ? 4.965   -11.948 -9.042  1.00 20.21 ? 439 HOH D O   1 
HETATM 4181 O O   . HOH N 4 .   ? -11.835 4.250   -4.515  1.00 48.63 ? 440 HOH D O   1 
HETATM 4182 O O   . HOH N 4 .   ? 10.055  -14.860 -5.230  1.00 32.73 ? 441 HOH D O   1 
HETATM 4183 O O   . HOH N 4 .   ? 22.450  -15.235 -4.834  1.00 23.34 ? 442 HOH D O   1 
HETATM 4184 O O   . HOH N 4 .   ? 19.323  -6.998  16.187  1.00 27.99 ? 443 HOH D O   1 
HETATM 4185 O O   . HOH N 4 .   ? -2.266  3.979   -5.787  1.00 34.61 ? 444 HOH D O   1 
HETATM 4186 O O   . HOH N 4 .   ? 18.761  -15.970 7.190   1.00 15.41 ? 445 HOH D O   1 
HETATM 4187 O O   . HOH N 4 .   ? 17.943  -16.015 -1.426  1.00 16.70 ? 446 HOH D O   1 
HETATM 4188 O O   . HOH N 4 .   ? -5.592  2.159   -1.969  1.00 15.98 ? 447 HOH D O   1 
HETATM 4189 O O   . HOH N 4 .   ? 15.370  6.857   -2.878  1.00 33.60 ? 448 HOH D O   1 
HETATM 4190 O O   . HOH N 4 .   ? 9.390   7.748   -11.865 1.00 38.99 ? 449 HOH D O   1 
HETATM 4191 O O   . HOH N 4 .   ? 26.565  -18.294 8.246   1.00 39.67 ? 450 HOH D O   1 
HETATM 4192 O O   . HOH N 4 .   ? 11.514  10.947  -12.034 1.00 45.76 ? 451 HOH D O   1 
HETATM 4193 O O   . HOH N 4 .   ? 9.463   -17.506 -1.772  1.00 23.12 ? 452 HOH D O   1 
HETATM 4194 O O   . HOH N 4 .   ? 12.659  -14.819 -6.854  1.00 33.68 ? 453 HOH D O   1 
HETATM 4195 O O   . HOH N 4 .   ? 16.426  -17.229 1.711   1.00 16.91 ? 454 HOH D O   1 
HETATM 4196 O O   . HOH N 4 .   ? -9.115  5.205   0.640   1.00 41.15 ? 455 HOH D O   1 
HETATM 4197 O O   . HOH N 4 .   ? 12.698  6.758   4.174   1.00 34.63 ? 456 HOH D O   1 
HETATM 4198 O O   . HOH N 4 .   ? 21.531  -14.816 20.564  1.00 23.83 ? 457 HOH D O   1 
HETATM 4199 O O   . HOH N 4 .   ? -4.304  -10.167 -1.775  1.00 17.18 ? 458 HOH D O   1 
HETATM 4200 O O   . HOH N 4 .   ? 15.319  -11.237 25.967  1.00 24.14 ? 459 HOH D O   1 
HETATM 4201 O O   . HOH N 4 .   ? 27.354  -16.894 6.166   1.00 32.88 ? 460 HOH D O   1 
HETATM 4202 O O   . HOH N 4 .   ? 21.282  -14.257 13.873  1.00 32.69 ? 461 HOH D O   1 
HETATM 4203 O O   . HOH N 4 .   ? 3.205   7.528   0.712   1.00 38.10 ? 462 HOH D O   1 
HETATM 4204 O O   . HOH N 4 .   ? 14.047  -11.772 -9.984  1.00 40.68 ? 463 HOH D O   1 
HETATM 4205 O O   . HOH N 4 .   ? 23.281  -11.138 11.280  1.00 42.35 ? 464 HOH D O   1 
HETATM 4206 O O   . HOH N 4 .   ? 4.332   -13.911 -3.891  1.00 23.35 ? 465 HOH D O   1 
HETATM 4207 O O   . HOH N 4 .   ? -0.004  -12.169 -13.563 1.00 32.86 ? 466 HOH D O   1 
HETATM 4208 O O   . HOH N 4 .   ? 12.193  -11.959 18.774  1.00 24.25 ? 467 HOH D O   1 
HETATM 4209 O O   . HOH N 4 .   ? 18.600  -17.982 26.320  1.00 26.10 ? 468 HOH D O   1 
HETATM 4210 O O   . HOH N 4 .   ? 11.163  -10.190 -11.085 1.00 37.31 ? 469 HOH D O   1 
HETATM 4211 O O   . HOH N 4 .   ? 16.190  3.644   8.627   1.00 20.92 ? 470 HOH D O   1 
HETATM 4212 O O   . HOH N 4 .   ? 24.039  -20.288 2.897   1.00 31.50 ? 471 HOH D O   1 
HETATM 4213 O O   . HOH N 4 .   ? 26.305  -15.128 9.940   1.00 40.43 ? 472 HOH D O   1 
HETATM 4214 O O   . HOH N 4 .   ? 21.810  -17.704 -4.274  1.00 21.44 ? 473 HOH D O   1 
HETATM 4215 O O   . HOH N 4 .   ? -2.131  -2.269  -7.812  1.00 27.79 ? 474 HOH D O   1 
HETATM 4216 O O   . HOH N 4 .   ? 3.108   -3.485  -12.223 1.00 30.86 ? 475 HOH D O   1 
HETATM 4217 O O   . HOH N 4 .   ? -2.415  -5.197  -11.144 1.00 47.54 ? 476 HOH D O   1 
HETATM 4218 O O   . HOH N 4 .   ? 16.395  8.579   9.687   1.00 35.25 ? 477 HOH D O   1 
HETATM 4219 O O   . HOH N 4 .   ? 23.417  -21.710 6.128   1.00 35.51 ? 478 HOH D O   1 
HETATM 4220 O O   . HOH N 4 .   ? -0.594  -12.695 -8.582  1.00 26.04 ? 479 HOH D O   1 
HETATM 4221 O O   . HOH N 4 .   ? 21.796  -17.301 25.807  1.00 37.56 ? 480 HOH D O   1 
HETATM 4222 O O   . HOH N 4 .   ? -3.391  -3.367  -10.119 1.00 41.59 ? 481 HOH D O   1 
HETATM 4223 O O   . HOH N 4 .   ? -0.613  5.752   -6.826  1.00 39.91 ? 482 HOH D O   1 
HETATM 4224 O O   . HOH N 4 .   ? 11.715  13.032  -12.996 1.00 46.59 ? 483 HOH D O   1 
HETATM 4225 O O   . HOH N 4 .   ? 18.621  5.399   5.879   1.00 43.84 ? 484 HOH D O   1 
HETATM 4226 O O   . HOH N 4 .   ? 5.708   9.890   -2.282  1.00 34.63 ? 485 HOH D O   1 
HETATM 4227 O O   . HOH N 4 .   ? 5.768   10.572  -4.821  1.00 50.96 ? 486 HOH D O   1 
HETATM 4228 O O   . HOH N 4 .   ? -0.663  9.178   -2.594  1.00 42.52 ? 487 HOH D O   1 
HETATM 4229 O O   . HOH N 4 .   ? -10.988 -0.440  -5.711  1.00 42.55 ? 488 HOH D O   1 
HETATM 4230 O O   . HOH N 4 .   ? 16.350  -11.294 28.621  1.00 37.12 ? 489 HOH D O   1 
HETATM 4231 O O   . HOH N 4 .   ? 21.286  -17.060 14.703  1.00 22.00 ? 490 HOH D O   1 
HETATM 4232 O O   . HOH N 4 .   ? 18.053  -20.556 0.446   1.00 44.31 ? 491 HOH D O   1 
HETATM 4233 O O   . HOH N 4 .   ? 12.112  -7.828  20.867  1.00 32.39 ? 492 HOH D O   1 
HETATM 4234 O O   . HOH N 4 .   ? 5.554   4.146   4.804   1.00 28.44 ? 493 HOH D O   1 
HETATM 4235 O O   . HOH N 4 .   ? 15.624  -14.870 -6.651  1.00 45.63 ? 494 HOH D O   1 
HETATM 4236 O O   . HOH N 4 .   ? 28.132  -6.892  1.879   1.00 41.10 ? 495 HOH D O   1 
HETATM 4237 O O   . HOH N 4 .   ? 19.824  -0.161  4.208   1.00 54.60 ? 496 HOH D O   1 
HETATM 4238 O O   . HOH N 4 .   ? 18.492  -10.732 -10.537 1.00 57.14 ? 497 HOH D O   1 
HETATM 4239 O O   . HOH N 4 .   ? 21.496  -9.327  18.673  1.00 44.45 ? 498 HOH D O   1 
HETATM 4240 O O   . HOH N 4 .   ? -3.384  12.644  -3.950  1.00 43.15 ? 499 HOH D O   1 
HETATM 4241 O O   . HOH N 4 .   ? 5.663   -16.207 -4.837  1.00 43.65 ? 500 HOH D O   1 
HETATM 4242 O O   . HOH N 4 .   ? 11.609  9.444   4.101   1.00 40.16 ? 501 HOH D O   1 
HETATM 4243 O O   . HOH N 4 .   ? 18.711  -14.794 -5.435  1.00 39.91 ? 502 HOH D O   1 
HETATM 4244 O O   . HOH N 4 .   ? 24.530  -21.488 8.225   1.00 47.88 ? 503 HOH D O   1 
HETATM 4245 O O   . HOH N 4 .   ? 21.330  -7.371  11.861  1.00 43.58 ? 504 HOH D O   1 
HETATM 4246 O O   . HOH N 4 .   ? 12.649  -10.496 25.605  1.00 43.98 ? 505 HOH D O   1 
HETATM 4247 O O   . HOH N 4 .   ? 17.771  -18.980 -1.409  1.00 44.27 ? 506 HOH D O   1 
HETATM 4248 O O   . HOH N 4 .   ? 18.178  3.319   6.924   1.00 38.44 ? 507 HOH D O   1 
HETATM 4249 O O   . HOH N 4 .   ? 4.079   7.219   2.934   1.00 40.27 ? 508 HOH D O   1 
HETATM 4250 O O   . HOH N 4 .   ? 26.069  -12.070 5.626   1.00 31.28 ? 509 HOH D O   1 
HETATM 4251 O O   . HOH N 4 .   ? 26.186  -20.394 4.196   1.00 43.06 ? 510 HOH D O   1 
HETATM 4252 O O   . HOH N 4 .   ? 10.675  13.389  -14.962 1.00 41.19 ? 511 HOH D O   1 
HETATM 4253 O O   . HOH N 4 .   ? 15.216  -13.821 29.260  1.00 42.63 ? 512 HOH D O   1 
HETATM 4254 O O   . HOH N 4 .   ? -3.907  3.671   -8.051  1.00 36.93 ? 513 HOH D O   1 
HETATM 4255 O O   . HOH N 4 .   ? 0.867   -14.090 -10.474 1.00 42.68 ? 514 HOH D O   1 
HETATM 4256 O O   . HOH N 4 .   ? 19.111  -17.154 -3.652  1.00 33.12 ? 515 HOH D O   1 
HETATM 4257 O O   . HOH N 4 .   ? 25.453  -15.791 -12.554 1.00 57.26 ? 516 HOH D O   1 
HETATM 4258 O O   . HOH N 4 .   ? 19.846  -3.797  -12.601 1.00 38.81 ? 517 HOH D O   1 
HETATM 4259 O O   . HOH N 4 .   ? 13.296  -10.734 -12.176 1.00 46.74 ? 518 HOH D O   1 
HETATM 4260 O O   . HOH N 4 .   ? 15.549  -10.145 -12.719 1.00 52.42 ? 519 HOH D O   1 
HETATM 4261 O O   . HOH N 4 .   ? 23.476  -24.256 4.794   1.00 41.39 ? 520 HOH D O   1 
HETATM 4262 O O   . HOH N 4 .   ? 3.433   3.085   -15.396 1.00 52.52 ? 521 HOH D O   1 
HETATM 4263 O O   . HOH N 4 .   ? -2.043  -17.665 -4.220  1.00 46.02 ? 522 HOH D O   1 
HETATM 4264 O O   . HOH N 4 .   ? 19.535  -5.245  29.683  1.00 41.49 ? 523 HOH D O   1 
HETATM 4265 O O   . HOH N 4 .   ? 5.455   10.217  3.663   1.00 47.68 ? 524 HOH D O   1 
HETATM 4266 O O   . HOH N 4 .   ? -1.939  -13.421 -15.372 1.00 51.43 ? 525 HOH D O   1 
HETATM 4267 O O   . HOH N 4 .   ? 22.591  -3.336  22.157  1.00 50.02 ? 526 HOH D O   1 
HETATM 4268 O O   . HOH N 4 .   ? 18.089  -17.683 -5.856  1.00 49.68 ? 527 HOH D O   1 
HETATM 4269 O O   . HOH N 4 .   ? 22.940  -6.133  12.903  1.00 46.56 ? 528 HOH D O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLY A 2   ? 0.3914 0.3135 0.2689 0.0470  -0.0208 0.0507  16  GLY A N   
2    C CA  . GLY A 2   ? 0.3493 0.2976 0.2367 0.0423  -0.0229 0.0479  16  GLY A CA  
3    C C   . GLY A 2   ? 0.2883 0.2792 0.2000 0.0234  -0.0396 0.0262  16  GLY A C   
4    O O   . GLY A 2   ? 0.3204 0.2765 0.2204 0.0083  -0.0039 0.0270  16  GLY A O   
5    N N   . ILE A 3   ? 0.2699 0.2648 0.1781 0.0164  -0.0230 0.0207  17  ILE A N   
6    C CA  . ILE A 3   ? 0.2659 0.2514 0.1572 0.0149  0.0088  0.0026  17  ILE A CA  
7    C C   . ILE A 3   ? 0.2520 0.2343 0.1293 0.0184  0.0208  0.0008  17  ILE A C   
8    O O   . ILE A 3   ? 0.2181 0.2359 0.1523 0.0354  0.0149  -0.0003 17  ILE A O   
9    C CB  . ILE A 3   ? 0.2552 0.2604 0.1429 0.0140  0.0086  -0.0052 17  ILE A CB  
10   C CG1 . ILE A 3   ? 0.2922 0.2692 0.1356 0.0059  0.0064  -0.0179 17  ILE A CG1 
11   C CG2 . ILE A 3   ? 0.3089 0.2609 0.1492 0.0218  0.0247  0.0033  17  ILE A CG2 
12   C CD1 . ILE A 3   ? 0.2585 0.2734 0.1414 0.0019  0.0104  -0.0249 17  ILE A CD1 
13   N N   . THR A 4   ? 0.2634 0.2232 0.1341 -0.0036 -0.0025 0.0091  18  THR A N   
14   C CA  . THR A 4   ? 0.2524 0.2195 0.1426 0.0070  -0.0044 -0.0082 18  THR A CA  
15   C C   . THR A 4   ? 0.2508 0.2153 0.1292 0.0062  0.0031  0.0092  18  THR A C   
16   O O   . THR A 4   ? 0.2565 0.2268 0.1681 0.0189  0.0506  0.0274  18  THR A O   
17   C CB  . THR A 4   ? 0.2287 0.2203 0.1446 0.0181  -0.0142 -0.0039 18  THR A CB  
18   O OG1 . THR A 4   ? 0.2678 0.2222 0.1384 0.0106  0.0151  -0.0084 18  THR A OG1 
19   C CG2 . THR A 4   ? 0.2200 0.2213 0.1668 0.0144  -0.0238 -0.0014 18  THR A CG2 
20   N N   . GLY A 5   ? 0.2253 0.2120 0.1364 -0.0092 0.0051  0.0138  19  GLY A N   
21   C CA  . GLY A 5   ? 0.2157 0.2166 0.1370 -0.0011 0.0259  0.0329  19  GLY A CA  
22   C C   . GLY A 5   ? 0.2163 0.2158 0.1254 -0.0036 0.0297  0.0246  19  GLY A C   
23   O O   . GLY A 5   ? 0.2277 0.2062 0.1257 -0.0092 0.0246  0.0151  19  GLY A O   
24   N N   . THR A 6   ? 0.2099 0.2239 0.1392 -0.0117 0.0335  0.0067  20  THR A N   
25   C CA  . THR A 6   ? 0.2051 0.2295 0.1329 -0.0117 0.0159  0.0075  20  THR A CA  
26   C C   . THR A 6   ? 0.2285 0.2186 0.1078 -0.0194 0.0324  0.0241  20  THR A C   
27   O O   . THR A 6   ? 0.2462 0.2220 0.1265 -0.0093 0.0301  0.0415  20  THR A O   
28   C CB  . THR A 6   ? 0.2545 0.2487 0.1730 -0.0269 0.0442  -0.0035 20  THR A CB  
29   O OG1 . THR A 6   ? 0.2700 0.2480 0.1795 -0.0565 0.0377  -0.0080 20  THR A OG1 
30   C CG2 . THR A 6   ? 0.2249 0.2628 0.1767 -0.0283 0.0451  -0.0077 20  THR A CG2 
31   N N   . TRP A 7   ? 0.2395 0.2163 0.1153 -0.0169 0.0371  0.0150  21  TRP A N   
32   C CA  . TRP A 7   ? 0.2019 0.2072 0.1146 -0.0019 0.0237  0.0101  21  TRP A CA  
33   C C   . TRP A 7   ? 0.1972 0.2022 0.1096 -0.0068 0.0128  0.0158  21  TRP A C   
34   O O   . TRP A 7   ? 0.1998 0.2158 0.1188 0.0002  0.0064  0.0067  21  TRP A O   
35   C CB  . TRP A 7   ? 0.1980 0.2083 0.1484 0.0090  0.0299  0.0151  21  TRP A CB  
36   C CG  . TRP A 7   ? 0.1951 0.2112 0.1311 0.0059  0.0291  0.0198  21  TRP A CG  
37   C CD1 . TRP A 7   ? 0.1969 0.2153 0.1482 0.0003  0.0373  0.0213  21  TRP A CD1 
38   C CD2 . TRP A 7   ? 0.2246 0.2208 0.1360 0.0142  0.0249  0.0164  21  TRP A CD2 
39   N NE1 . TRP A 7   ? 0.1905 0.2230 0.1680 0.0122  0.0259  0.0270  21  TRP A NE1 
40   C CE2 . TRP A 7   ? 0.2105 0.2262 0.1436 0.0293  0.0032  0.0315  21  TRP A CE2 
41   C CE3 . TRP A 7   ? 0.2111 0.2259 0.1444 0.0134  0.0060  0.0167  21  TRP A CE3 
42   C CZ2 . TRP A 7   ? 0.2366 0.2325 0.1573 0.0419  0.0116  0.0334  21  TRP A CZ2 
43   C CZ3 . TRP A 7   ? 0.2589 0.2330 0.1583 0.0290  0.0056  0.0184  21  TRP A CZ3 
44   C CH2 . TRP A 7   ? 0.2435 0.2344 0.1656 0.0522  0.0035  0.0159  21  TRP A CH2 
45   N N   . TYR A 8   ? 0.2242 0.1947 0.1086 -0.0229 0.0213  0.0161  22  TYR A N   
46   C CA  . TYR A 8   ? 0.2191 0.1973 0.1161 -0.0327 0.0502  0.0153  22  TYR A CA  
47   C C   . TYR A 8   ? 0.2145 0.1930 0.1163 -0.0174 0.0294  -0.0009 22  TYR A C   
48   O O   . TYR A 8   ? 0.2301 0.1875 0.1231 0.0007  0.0040  0.0043  22  TYR A O   
49   C CB  . TYR A 8   ? 0.2549 0.2113 0.1255 -0.0539 0.0587  0.0008  22  TYR A CB  
50   C CG  . TYR A 8   ? 0.2693 0.2144 0.1113 -0.0703 0.0568  -0.0090 22  TYR A CG  
51   C CD1 . TYR A 8   ? 0.2605 0.2177 0.1464 -0.0725 0.0329  -0.0119 22  TYR A CD1 
52   C CD2 . TYR A 8   ? 0.2934 0.2204 0.1181 -0.0749 0.0547  0.0028  22  TYR A CD2 
53   C CE1 . TYR A 8   ? 0.2575 0.2250 0.1728 -0.0874 0.0368  -0.0072 22  TYR A CE1 
54   C CE2 . TYR A 8   ? 0.2964 0.2235 0.1636 -0.0773 0.0681  0.0099  22  TYR A CE2 
55   C CZ  . TYR A 8   ? 0.2898 0.2253 0.1794 -0.0982 0.0553  0.0001  22  TYR A CZ  
56   O OH  . TYR A 8   ? 0.2839 0.2334 0.1920 -0.1006 0.0602  -0.0125 22  TYR A OH  
57   N N   . ASN A 9   ? 0.1863 0.1990 0.1126 -0.0285 0.0331  0.0025  23  ASN A N   
58   C CA  . ASN A 9   ? 0.1806 0.2030 0.1020 -0.0477 0.0311  0.0092  23  ASN A CA  
59   C C   . ASN A 9   ? 0.1999 0.2155 0.1252 -0.0391 0.0429  0.0156  23  ASN A C   
60   O O   . ASN A 9   ? 0.2441 0.2074 0.1120 -0.0425 0.0561  0.0117  23  ASN A O   
61   C CB  . ASN A 9   ? 0.1912 0.2086 0.1319 -0.0307 0.0321  0.0162  23  ASN A CB  
62   C CG  . ASN A 9   ? 0.1914 0.2128 0.1378 -0.0371 0.0150  0.0097  23  ASN A CG  
63   O OD1 . ASN A 9   ? 0.1730 0.2148 0.1340 -0.0303 0.0150  0.0078  23  ASN A OD1 
64   N ND2 . ASN A 9   ? 0.2055 0.2177 0.1335 -0.0542 -0.0014 0.0086  23  ASN A ND2 
65   N N   . GLN A 10  ? 0.2405 0.2318 0.1194 -0.0363 0.0297  0.0018  24  GLN A N   
66   C CA  . GLN A 10  ? 0.2257 0.2434 0.0996 -0.0395 0.0258  0.0038  24  GLN A CA  
67   C C   . GLN A 10  ? 0.1958 0.2740 0.1092 -0.0388 0.0467  -0.0146 24  GLN A C   
68   O O   . GLN A 10  ? 0.2647 0.2865 0.1238 -0.0416 0.0491  -0.0246 24  GLN A O   
69   C CB  . GLN A 10  ? 0.2101 0.2342 0.1187 -0.0543 0.0108  0.0233  24  GLN A CB  
70   C CG  . GLN A 10  ? 0.1994 0.2250 0.1214 -0.0165 0.0017  0.0220  24  GLN A CG  
71   C CD  . GLN A 10  ? 0.1837 0.2171 0.1316 -0.0044 0.0073  0.0173  24  GLN A CD  
72   O OE1 . GLN A 10  ? 0.2187 0.2082 0.1438 0.0122  0.0396  0.0326  24  GLN A OE1 
73   N NE2 . GLN A 10  ? 0.1889 0.2237 0.1275 -0.0100 0.0106  0.0196  24  GLN A NE2 
74   N N   . LEU A 11  ? 0.1755 0.2865 0.1298 -0.0378 0.0134  -0.0071 25  LEU A N   
75   C CA  . LEU A 11  ? 0.1791 0.3028 0.1573 -0.0525 0.0022  -0.0009 25  LEU A CA  
76   C C   . LEU A 11  ? 0.1744 0.3148 0.1420 -0.0568 0.0375  -0.0005 25  LEU A C   
77   O O   . LEU A 11  ? 0.1947 0.3295 0.1661 -0.0578 0.0114  -0.0117 25  LEU A O   
78   C CB  . LEU A 11  ? 0.2335 0.3109 0.2138 -0.0449 -0.0229 0.0000  25  LEU A CB  
79   C CG  . LEU A 11  ? 0.2983 0.3205 0.2509 -0.0458 -0.0391 0.0061  25  LEU A CG  
80   C CD1 . LEU A 11  ? 0.3240 0.3211 0.2721 -0.0454 -0.0240 0.0150  25  LEU A CD1 
81   C CD2 . LEU A 11  ? 0.3466 0.3282 0.2697 -0.0468 -0.0277 0.0045  25  LEU A CD2 
82   N N   . GLY A 12  ? 0.2028 0.3090 0.1296 -0.0668 0.0228  0.0079  26  GLY A N   
83   C CA  . GLY A 12  ? 0.2056 0.3102 0.1094 -0.0672 0.0324  0.0066  26  GLY A CA  
84   C C   . GLY A 12  ? 0.2213 0.2935 0.1176 -0.0600 0.0119  0.0151  26  GLY A C   
85   O O   . GLY A 12  ? 0.2298 0.3055 0.1514 -0.0721 0.0021  0.0183  26  GLY A O   
86   N N   . SER A 13  ? 0.2093 0.2671 0.1108 -0.0370 0.0181  0.0211  27  SER A N   
87   C CA  . SER A 13  ? 0.1777 0.2450 0.1212 -0.0162 0.0157  0.0185  27  SER A CA  
88   C C   . SER A 13  ? 0.1779 0.2383 0.1283 -0.0097 -0.0063 -0.0030 27  SER A C   
89   O O   . SER A 13  ? 0.2101 0.2404 0.1384 0.0004  -0.0107 0.0040  27  SER A O   
90   C CB  . SER A 13  ? 0.1844 0.2289 0.1319 -0.0035 0.0189  0.0038  27  SER A CB  
91   O OG  . SER A 13  ? 0.1869 0.2179 0.1417 -0.0004 0.0030  0.0053  27  SER A OG  
92   N N   . THR A 14  ? 0.1755 0.2390 0.1173 -0.0162 0.0336  0.0154  28  THR A N   
93   C CA  . THR A 14  ? 0.1885 0.2414 0.1274 -0.0153 0.0334  0.0143  28  THR A CA  
94   C C   . THR A 14  ? 0.1718 0.2307 0.1166 -0.0194 0.0066  0.0115  28  THR A C   
95   O O   . THR A 14  ? 0.1983 0.2299 0.1318 -0.0037 0.0103  0.0078  28  THR A O   
96   C CB  . THR A 14  ? 0.1904 0.2538 0.1553 -0.0274 0.0602  0.0067  28  THR A CB  
97   O OG1 . THR A 14  ? 0.1718 0.2666 0.1696 -0.0267 0.0517  0.0259  28  THR A OG1 
98   C CG2 . THR A 14  ? 0.2356 0.2562 0.1701 -0.0237 0.0393  -0.0080 28  THR A CG2 
99   N N   . PHE A 15  ? 0.1386 0.2202 0.1214 -0.0122 0.0089  0.0037  29  PHE A N   
100  C CA  . PHE A 15  ? 0.1617 0.2167 0.1247 -0.0003 0.0090  -0.0027 29  PHE A CA  
101  C C   . PHE A 15  ? 0.1826 0.2193 0.0905 -0.0177 -0.0028 -0.0057 29  PHE A C   
102  O O   . PHE A 15  ? 0.2271 0.2112 0.1020 -0.0193 0.0028  0.0153  29  PHE A O   
103  C CB  . PHE A 15  ? 0.1725 0.2150 0.1328 -0.0199 0.0253  -0.0106 29  PHE A CB  
104  C CG  . PHE A 15  ? 0.1625 0.2044 0.1401 -0.0228 -0.0138 -0.0060 29  PHE A CG  
105  C CD1 . PHE A 15  ? 0.1581 0.1942 0.1279 -0.0099 -0.0042 -0.0148 29  PHE A CD1 
106  C CD2 . PHE A 15  ? 0.1682 0.2023 0.1395 0.0040  -0.0098 -0.0004 29  PHE A CD2 
107  C CE1 . PHE A 15  ? 0.1592 0.1947 0.1334 -0.0018 -0.0315 0.0011  29  PHE A CE1 
108  C CE2 . PHE A 15  ? 0.1940 0.2063 0.1329 0.0160  -0.0231 0.0088  29  PHE A CE2 
109  C CZ  . PHE A 15  ? 0.1942 0.1999 0.1248 -0.0004 -0.0016 -0.0029 29  PHE A CZ  
110  N N   . ILE A 16  ? 0.1575 0.2241 0.1079 -0.0214 0.0228  -0.0028 30  ILE A N   
111  C CA  . ILE A 16  ? 0.1538 0.2404 0.1133 -0.0116 0.0125  -0.0051 30  ILE A CA  
112  C C   . ILE A 16  ? 0.1588 0.2371 0.1070 -0.0005 -0.0020 0.0002  30  ILE A C   
113  O O   . ILE A 16  ? 0.2096 0.2483 0.1301 0.0136  0.0198  0.0263  30  ILE A O   
114  C CB  . ILE A 16  ? 0.1729 0.2632 0.1263 -0.0093 0.0113  -0.0196 30  ILE A CB  
115  C CG1 . ILE A 16  ? 0.1645 0.2820 0.1381 -0.0071 0.0087  -0.0193 30  ILE A CG1 
116  C CG2 . ILE A 16  ? 0.1852 0.2700 0.1577 0.0018  -0.0008 -0.0232 30  ILE A CG2 
117  C CD1 . ILE A 16  ? 0.1949 0.2879 0.1682 0.0100  0.0416  -0.0040 30  ILE A CD1 
118  N N   . VAL A 17  ? 0.1462 0.2272 0.1253 -0.0101 0.0154  -0.0042 31  VAL A N   
119  C CA  . VAL A 17  ? 0.1848 0.2145 0.1332 -0.0001 0.0143  -0.0026 31  VAL A CA  
120  C C   . VAL A 17  ? 0.2101 0.2168 0.1239 -0.0056 0.0357  -0.0203 31  VAL A C   
121  O O   . VAL A 17  ? 0.2462 0.2021 0.1366 -0.0106 0.0420  -0.0170 31  VAL A O   
122  C CB  . VAL A 17  ? 0.2333 0.2094 0.1457 -0.0116 -0.0041 0.0107  31  VAL A CB  
123  C CG1 . VAL A 17  ? 0.2603 0.2149 0.1393 0.0001  -0.0013 0.0017  31  VAL A CG1 
124  C CG2 . VAL A 17  ? 0.1696 0.2002 0.1677 -0.0229 -0.0089 0.0139  31  VAL A CG2 
125  N N   . THR A 18  ? 0.2007 0.2267 0.1339 -0.0032 0.0168  -0.0427 32  THR A N   
126  C CA  . THR A 18  ? 0.1934 0.2459 0.1478 -0.0084 0.0217  -0.0449 32  THR A CA  
127  C C   . THR A 18  ? 0.1845 0.2402 0.1429 -0.0052 0.0157  -0.0323 32  THR A C   
128  O O   . THR A 18  ? 0.2068 0.2400 0.1291 0.0011  0.0071  -0.0045 32  THR A O   
129  C CB  . THR A 18  ? 0.1901 0.2712 0.1579 0.0079  0.0178  -0.0481 32  THR A CB  
130  O OG1 . THR A 18  ? 0.2497 0.2758 0.1853 -0.0082 0.0051  -0.0352 32  THR A OG1 
131  C CG2 . THR A 18  ? 0.2323 0.2792 0.1638 0.0215  0.0397  -0.0565 32  THR A CG2 
132  N N   . ALA A 19  ? 0.1825 0.2447 0.1667 0.0033  0.0099  -0.0256 33  ALA A N   
133  C CA  . ALA A 19  ? 0.1968 0.2520 0.1776 0.0112  -0.0199 -0.0238 33  ALA A CA  
134  C C   . ALA A 19  ? 0.2240 0.2564 0.2290 0.0210  0.0153  -0.0359 33  ALA A C   
135  O O   . ALA A 19  ? 0.2618 0.2651 0.2727 0.0338  0.0314  -0.0170 33  ALA A O   
136  C CB  . ALA A 19  ? 0.2173 0.2588 0.1949 -0.0019 -0.0278 -0.0017 33  ALA A CB  
137  N N   . GLY A 20  ? 0.2313 0.2578 0.2060 0.0278  0.0308  -0.0658 34  GLY A N   
138  C CA  . GLY A 20  ? 0.2641 0.2649 0.2440 0.0401  0.0404  -0.0784 34  GLY A CA  
139  C C   . GLY A 20  ? 0.2751 0.2737 0.2845 0.0481  0.0545  -0.0840 34  GLY A C   
140  O O   . GLY A 20  ? 0.2881 0.2782 0.2976 0.0504  0.0304  -0.0705 34  GLY A O   
141  N N   . ALA A 21  ? 0.2859 0.2900 0.3274 0.0443  0.0859  -0.0934 35  ALA A N   
142  C CA  . ALA A 21  ? 0.3018 0.3098 0.3671 0.0533  0.0960  -0.0974 35  ALA A CA  
143  C C   . ALA A 21  ? 0.3413 0.3271 0.3975 0.0580  0.1099  -0.0869 35  ALA A C   
144  O O   . ALA A 21  ? 0.3997 0.3396 0.4269 0.0386  0.0905  -0.0841 35  ALA A O   
145  C CB  . ALA A 21  ? 0.2894 0.3112 0.3722 0.0583  0.0770  -0.1010 35  ALA A CB  
146  N N   . ASP A 22  ? 0.3346 0.3270 0.3810 0.0624  0.1282  -0.0839 36  ASP A N   
147  C CA  . ASP A 22  ? 0.3492 0.3375 0.3568 0.0398  0.1152  -0.0865 36  ASP A CA  
148  C C   . ASP A 22  ? 0.2872 0.3279 0.3011 0.0341  0.0961  -0.0731 36  ASP A C   
149  O O   . ASP A 22  ? 0.3208 0.3354 0.3136 0.0244  0.1165  -0.0743 36  ASP A O   
150  C CB  . ASP A 22  ? 0.4317 0.3521 0.3750 0.0247  0.1115  -0.0865 36  ASP A CB  
151  C CG  . ASP A 22  ? 0.4854 0.3671 0.3763 0.0153  0.1060  -0.0911 36  ASP A CG  
152  O OD1 . ASP A 22  ? 0.4480 0.3607 0.3483 0.0226  0.1155  -0.1181 36  ASP A OD1 
153  O OD2 . ASP A 22  ? 0.5376 0.3787 0.4033 0.0017  0.0813  -0.0800 36  ASP A OD2 
154  N N   . GLY A 23  ? 0.2276 0.3120 0.2178 0.0444  0.0541  -0.0505 37  GLY A N   
155  C CA  . GLY A 23  ? 0.2040 0.2942 0.1692 0.0356  0.0470  -0.0259 37  GLY A CA  
156  C C   . GLY A 23  ? 0.1894 0.2775 0.1406 0.0262  0.0194  -0.0224 37  GLY A C   
157  O O   . GLY A 23  ? 0.1744 0.2793 0.1176 0.0273  0.0128  -0.0181 37  GLY A O   
158  N N   . ALA A 24  ? 0.1723 0.2601 0.1255 0.0117  0.0260  -0.0336 38  ALA A N   
159  C CA  . ALA A 24  ? 0.1699 0.2569 0.1397 0.0022  -0.0172 -0.0250 38  ALA A CA  
160  C C   . ALA A 24  ? 0.1811 0.2477 0.1287 0.0239  0.0127  -0.0067 38  ALA A C   
161  O O   . ALA A 24  ? 0.1823 0.2432 0.1644 0.0159  0.0280  -0.0316 38  ALA A O   
162  C CB  . ALA A 24  ? 0.1864 0.2703 0.1508 0.0027  -0.0431 -0.0282 38  ALA A CB  
163  N N   . LEU A 25  ? 0.1624 0.2438 0.1053 0.0346  0.0020  -0.0126 39  LEU A N   
164  C CA  . LEU A 25  ? 0.1468 0.2343 0.1184 0.0079  -0.0046 -0.0206 39  LEU A CA  
165  C C   . LEU A 25  ? 0.1629 0.2381 0.1179 0.0073  -0.0078 -0.0245 39  LEU A C   
166  O O   . LEU A 25  ? 0.1621 0.2332 0.1185 0.0198  0.0005  -0.0132 39  LEU A O   
167  C CB  . LEU A 25  ? 0.1409 0.2289 0.1138 -0.0028 0.0052  -0.0139 39  LEU A CB  
168  C CG  . LEU A 25  ? 0.1463 0.2331 0.1190 -0.0006 0.0130  -0.0128 39  LEU A CG  
169  C CD1 . LEU A 25  ? 0.1305 0.2361 0.0993 -0.0167 0.0087  -0.0263 39  LEU A CD1 
170  C CD2 . LEU A 25  ? 0.1312 0.2372 0.1401 -0.0125 0.0117  -0.0132 39  LEU A CD2 
171  N N   . THR A 26  ? 0.1519 0.2425 0.0997 0.0117  -0.0076 -0.0308 40  THR A N   
172  C CA  . THR A 26  ? 0.1511 0.2485 0.1040 0.0016  0.0013  -0.0366 40  THR A CA  
173  C C   . THR A 26  ? 0.1302 0.2523 0.1046 -0.0113 -0.0226 -0.0081 40  THR A C   
174  O O   . THR A 26  ? 0.1873 0.2572 0.1357 0.0242  -0.0038 0.0136  40  THR A O   
175  C CB  . THR A 26  ? 0.2206 0.2592 0.1511 -0.0027 0.0483  -0.0460 40  THR A CB  
176  O OG1 . THR A 26  ? 0.2635 0.2675 0.1823 0.0040  0.0384  -0.0499 40  THR A OG1 
177  C CG2 . THR A 26  ? 0.2078 0.2625 0.1626 -0.0055 0.0505  -0.0524 40  THR A CG2 
178  N N   . GLY A 27  ? 0.1333 0.2538 0.1175 -0.0021 -0.0074 0.0067  41  GLY A N   
179  C CA  . GLY A 27  ? 0.1611 0.2501 0.1205 0.0116  0.0138  0.0139  41  GLY A CA  
180  C C   . GLY A 27  ? 0.1419 0.2487 0.0919 0.0011  0.0101  0.0129  41  GLY A C   
181  O O   . GLY A 27  ? 0.1636 0.2373 0.1007 0.0173  -0.0017 0.0141  41  GLY A O   
182  N N   . THR A 28  ? 0.1417 0.2553 0.1105 -0.0022 0.0219  0.0045  42  THR A N   
183  C CA  . THR A 28  ? 0.1308 0.2583 0.1230 -0.0020 0.0075  -0.0084 42  THR A CA  
184  C C   . THR A 28  ? 0.1211 0.2462 0.1061 0.0088  0.0079  -0.0051 42  THR A C   
185  O O   . THR A 28  ? 0.1465 0.2368 0.1292 0.0223  0.0115  0.0061  42  THR A O   
186  C CB  . THR A 28  ? 0.1646 0.2781 0.1255 -0.0248 -0.0002 -0.0200 42  THR A CB  
187  O OG1 . THR A 28  ? 0.2172 0.2862 0.1475 -0.0251 0.0214  -0.0143 42  THR A OG1 
188  C CG2 . THR A 28  ? 0.1784 0.2797 0.1206 -0.0258 0.0187  -0.0531 42  THR A CG2 
189  N N   . TYR A 29  ? 0.1370 0.2398 0.1069 -0.0056 0.0101  -0.0088 43  TYR A N   
190  C CA  . TYR A 29  ? 0.1364 0.2340 0.1121 -0.0288 0.0220  -0.0104 43  TYR A CA  
191  C C   . TYR A 29  ? 0.1571 0.2378 0.1202 -0.0092 0.0121  -0.0057 43  TYR A C   
192  O O   . TYR A 29  ? 0.1358 0.2448 0.1344 -0.0065 -0.0026 0.0020  43  TYR A O   
193  C CB  . TYR A 29  ? 0.1356 0.2301 0.1309 -0.0434 0.0118  -0.0152 43  TYR A CB  
194  C CG  . TYR A 29  ? 0.1452 0.2213 0.1026 -0.0464 0.0116  -0.0049 43  TYR A CG  
195  C CD1 . TYR A 29  ? 0.1374 0.2217 0.1129 -0.0496 0.0064  -0.0173 43  TYR A CD1 
196  C CD2 . TYR A 29  ? 0.1429 0.2224 0.1044 -0.0513 0.0163  0.0031  43  TYR A CD2 
197  C CE1 . TYR A 29  ? 0.1700 0.2158 0.1256 -0.0559 0.0230  -0.0182 43  TYR A CE1 
198  C CE2 . TYR A 29  ? 0.1524 0.2187 0.1025 -0.0517 0.0269  -0.0135 43  TYR A CE2 
199  C CZ  . TYR A 29  ? 0.1829 0.2108 0.0986 -0.0491 0.0192  -0.0203 43  TYR A CZ  
200  O OH  . TYR A 29  ? 0.2038 0.2124 0.1118 -0.0591 0.0113  -0.0192 43  TYR A OH  
201  N N   . GLU A 30  ? 0.1434 0.2379 0.1326 -0.0083 0.0240  -0.0102 44  GLU A N   
202  C CA  . GLU A 30  ? 0.1282 0.2518 0.1387 -0.0281 0.0177  -0.0183 44  GLU A CA  
203  C C   . GLU A 30  ? 0.1410 0.2514 0.1413 -0.0130 0.0033  -0.0179 44  GLU A C   
204  O O   . GLU A 30  ? 0.1682 0.2401 0.1409 -0.0137 0.0211  0.0070  44  GLU A O   
205  C CB  . GLU A 30  ? 0.1007 0.2705 0.1973 -0.0329 0.0055  -0.0056 44  GLU A CB  
206  C CG  . GLU A 30  ? 0.1088 0.2873 0.2772 -0.0233 0.0218  -0.0094 44  GLU A CG  
207  C CD  . GLU A 30  ? 0.1412 0.3022 0.3419 -0.0247 0.0246  -0.0121 44  GLU A CD  
208  O OE1 . GLU A 30  ? 0.1848 0.3063 0.3854 -0.0351 0.0141  -0.0047 44  GLU A OE1 
209  O OE2 . GLU A 30  ? 0.1704 0.3134 0.3708 -0.0398 0.0253  -0.0165 44  GLU A OE2 
210  N N   . SER A 31  ? 0.1513 0.2514 0.1471 -0.0001 0.0170  -0.0206 45  SER A N   
211  C CA  . SER A 31  ? 0.1569 0.2585 0.1404 -0.0104 0.0230  -0.0271 45  SER A CA  
212  C C   . SER A 31  ? 0.1633 0.2794 0.1349 -0.0027 -0.0029 -0.0127 45  SER A C   
213  O O   . SER A 31  ? 0.1742 0.2899 0.1800 -0.0197 0.0190  -0.0014 45  SER A O   
214  C CB  . SER A 31  ? 0.1633 0.2478 0.1557 -0.0112 0.0030  -0.0314 45  SER A CB  
215  O OG  . SER A 31  ? 0.1848 0.2444 0.1818 -0.0094 0.0175  -0.0508 45  SER A OG  
216  N N   . ALA A 32  ? 0.2084 0.2955 0.1517 0.0131  0.0457  -0.0241 46  ALA A N   
217  C CA  . ALA A 32  ? 0.2474 0.3060 0.1503 0.0433  0.0514  -0.0327 46  ALA A CA  
218  C C   . ALA A 32  ? 0.2569 0.3101 0.1777 0.0514  0.0525  -0.0328 46  ALA A C   
219  O O   . ALA A 32  ? 0.2634 0.3185 0.1906 0.0425  0.0873  -0.0251 46  ALA A O   
220  C CB  . ALA A 32  ? 0.3308 0.3120 0.1741 0.0633  0.0657  -0.0349 46  ALA A CB  
221  N N   . VAL A 33  ? 0.2347 0.3084 0.1615 0.0535  -0.0038 -0.0468 47  VAL A N   
222  C CA  . VAL A 33  ? 0.2441 0.3129 0.1661 0.0364  -0.0177 -0.0565 47  VAL A CA  
223  C C   . VAL A 33  ? 0.2208 0.3121 0.1724 0.0204  0.0008  -0.0503 47  VAL A C   
224  O O   . VAL A 33  ? 0.1900 0.3128 0.1822 0.0228  0.0086  -0.0648 47  VAL A O   
225  C CB  . VAL A 33  ? 0.3005 0.3158 0.1620 0.0405  -0.0280 -0.0731 47  VAL A CB  
226  C CG1 . VAL A 33  ? 0.3362 0.3172 0.1682 0.0443  -0.0146 -0.0726 47  VAL A CG1 
227  C CG2 . VAL A 33  ? 0.3149 0.3174 0.1892 0.0388  -0.0298 -0.0581 47  VAL A CG2 
228  N N   . GLY A 34  ? 0.2079 0.3101 0.1751 0.0073  -0.0091 -0.0347 48  GLY A N   
229  C CA  . GLY A 34  ? 0.2089 0.3070 0.1748 0.0020  -0.0097 -0.0189 48  GLY A CA  
230  C C   . GLY A 34  ? 0.2056 0.2953 0.1701 -0.0035 -0.0033 -0.0297 48  GLY A C   
231  O O   . GLY A 34  ? 0.1764 0.2981 0.1978 -0.0108 -0.0015 -0.0428 48  GLY A O   
232  N N   . ASN A 35  ? 0.2642 0.2883 0.1767 -0.0015 -0.0212 -0.0260 49  ASN A N   
233  C CA  . ASN A 35  ? 0.2953 0.2868 0.2013 0.0122  -0.0320 -0.0176 49  ASN A CA  
234  C C   . ASN A 35  ? 0.2652 0.2862 0.1978 -0.0032 -0.0086 -0.0258 49  ASN A C   
235  O O   . ASN A 35  ? 0.2865 0.2879 0.1880 -0.0111 -0.0070 -0.0297 49  ASN A O   
236  C CB  . ASN A 35  ? 0.3601 0.2946 0.2304 0.0339  -0.0396 0.0083  49  ASN A CB  
237  C CG  . ASN A 35  ? 0.3806 0.3020 0.2505 0.0581  -0.0077 0.0265  49  ASN A CG  
238  O OD1 . ASN A 35  ? 0.3988 0.3074 0.2578 0.0624  -0.0102 0.0355  49  ASN A OD1 
239  N ND2 . ASN A 35  ? 0.3972 0.3047 0.2735 0.0703  0.0232  0.0356  49  ASN A ND2 
240  N N   . ALA A 36  ? 0.2128 0.2817 0.2252 -0.0065 -0.0330 -0.0282 50  ALA A N   
241  C CA  . ALA A 36  ? 0.1763 0.2881 0.2080 -0.0121 -0.0216 -0.0361 50  ALA A CA  
242  C C   . ALA A 36  ? 0.1668 0.2992 0.1798 -0.0142 -0.0015 -0.0341 50  ALA A C   
243  O O   . ALA A 36  ? 0.2283 0.3020 0.1910 -0.0110 0.0116  -0.0256 50  ALA A O   
244  C CB  . ALA A 36  ? 0.1555 0.2855 0.2069 -0.0098 -0.0214 -0.0346 50  ALA A CB  
245  N N   . GLU A 37  ? 0.1602 0.3118 0.1742 -0.0177 -0.0198 -0.0352 51  GLU A N   
246  C CA  . GLU A 37  ? 0.1819 0.3257 0.1905 0.0031  -0.0114 -0.0345 51  GLU A CA  
247  C C   . GLU A 37  ? 0.1318 0.3229 0.1769 0.0178  -0.0065 -0.0344 51  GLU A C   
248  O O   . GLU A 37  ? 0.1347 0.3216 0.1605 0.0108  0.0257  -0.0361 51  GLU A O   
249  C CB  . GLU A 37  ? 0.1745 0.3433 0.2271 -0.0054 -0.0510 -0.0394 51  GLU A CB  
250  C CG  . GLU A 37  ? 0.2051 0.3588 0.2459 0.0048  -0.0892 -0.0419 51  GLU A CG  
251  C CD  . GLU A 37  ? 0.2254 0.3691 0.2671 0.0115  -0.0752 -0.0479 51  GLU A CD  
252  O OE1 . GLU A 37  ? 0.2332 0.3725 0.2660 0.0279  -0.0879 -0.0378 51  GLU A OE1 
253  O OE2 . GLU A 37  ? 0.2361 0.3763 0.2665 0.0115  -0.0704 -0.0623 51  GLU A OE2 
254  N N   . SER A 38  ? 0.0932 0.3183 0.1918 0.0228  -0.0050 -0.0296 52  SER A N   
255  C CA  . SER A 38  ? 0.1341 0.3146 0.2095 0.0060  0.0127  -0.0222 52  SER A CA  
256  C C   . SER A 38  ? 0.1382 0.3029 0.1678 -0.0099 -0.0165 -0.0058 52  SER A C   
257  O O   . SER A 38  ? 0.1351 0.3095 0.1752 0.0024  0.0049  -0.0067 52  SER A O   
258  C CB  . SER A 38  ? 0.1397 0.3255 0.2958 0.0184  0.0160  -0.0421 52  SER A CB  
259  O OG  . SER A 38  ? 0.1538 0.3385 0.3513 0.0087  0.0050  -0.0520 52  SER A OG  
260  N N   . ARG A 39  ? 0.1345 0.2884 0.1453 -0.0257 -0.0127 -0.0004 53  ARG A N   
261  C CA  . ARG A 39  ? 0.1293 0.2766 0.1607 -0.0194 0.0055  0.0045  53  ARG A CA  
262  C C   . ARG A 39  ? 0.1330 0.2571 0.1199 -0.0254 -0.0032 0.0006  53  ARG A C   
263  O O   . ARG A 39  ? 0.1161 0.2568 0.1419 -0.0322 -0.0165 -0.0027 53  ARG A O   
264  C CB  . ARG A 39  ? 0.1199 0.2858 0.2126 -0.0127 -0.0029 0.0161  53  ARG A CB  
265  C CG  . ARG A 39  ? 0.1786 0.2955 0.2365 -0.0078 0.0015  0.0132  53  ARG A CG  
266  C CD  . ARG A 39  ? 0.2475 0.3074 0.3001 0.0052  -0.0027 0.0135  53  ARG A CD  
267  N NE  . ARG A 39  ? 0.3161 0.3174 0.3470 -0.0008 0.0144  0.0060  53  ARG A NE  
268  C CZ  . ARG A 39  ? 0.3416 0.3218 0.3894 -0.0131 0.0119  -0.0008 53  ARG A CZ  
269  N NH1 . ARG A 39  ? 0.3637 0.3297 0.4086 -0.0056 0.0068  -0.0015 53  ARG A NH1 
270  N NH2 . ARG A 39  ? 0.3335 0.3205 0.4062 -0.0375 0.0190  -0.0070 53  ARG A NH2 
271  N N   . TYR A 40  ? 0.1275 0.2542 0.1201 -0.0086 0.0045  -0.0017 54  TYR A N   
272  C CA  . TYR A 40  ? 0.1317 0.2562 0.0986 -0.0260 0.0155  -0.0005 54  TYR A CA  
273  C C   . TYR A 40  ? 0.1048 0.2532 0.0953 -0.0300 0.0139  0.0110  54  TYR A C   
274  O O   . TYR A 40  ? 0.1435 0.2455 0.1191 0.0040  -0.0115 0.0101  54  TYR A O   
275  C CB  . TYR A 40  ? 0.1392 0.2660 0.0964 -0.0390 0.0215  -0.0173 54  TYR A CB  
276  C CG  . TYR A 40  ? 0.1003 0.2802 0.0966 -0.0214 0.0166  -0.0278 54  TYR A CG  
277  C CD1 . TYR A 40  ? 0.0715 0.2622 0.1138 -0.0226 -0.0048 -0.0102 54  TYR A CD1 
278  C CD2 . TYR A 40  ? 0.1117 0.2811 0.1107 -0.0125 -0.0062 -0.0234 54  TYR A CD2 
279  C CE1 . TYR A 40  ? 0.0803 0.2863 0.1094 -0.0197 -0.0110 -0.0149 54  TYR A CE1 
280  C CE2 . TYR A 40  ? 0.1187 0.2835 0.1377 -0.0131 0.0257  -0.0380 54  TYR A CE2 
281  C CZ  . TYR A 40  ? 0.0887 0.2821 0.1303 -0.0179 0.0277  -0.0352 54  TYR A CZ  
282  O OH  . TYR A 40  ? 0.1150 0.2890 0.1545 -0.0219 0.0387  -0.0194 54  TYR A OH  
283  N N   . VAL A 41  ? 0.1142 0.2526 0.1030 -0.0389 0.0263  -0.0031 55  VAL A N   
284  C CA  . VAL A 41  ? 0.1206 0.2608 0.1234 -0.0158 -0.0015 0.0038  55  VAL A CA  
285  C C   . VAL A 41  ? 0.1036 0.2652 0.1226 0.0008  0.0038  -0.0162 55  VAL A C   
286  O O   . VAL A 41  ? 0.0993 0.2714 0.1466 0.0038  0.0181  -0.0146 55  VAL A O   
287  C CB  . VAL A 41  ? 0.1216 0.2671 0.1179 0.0024  -0.0342 0.0036  55  VAL A CB  
288  C CG1 . VAL A 41  ? 0.1323 0.2711 0.1227 0.0019  -0.0418 0.0031  55  VAL A CG1 
289  C CG2 . VAL A 41  ? 0.1300 0.2695 0.1357 -0.0300 -0.0456 -0.0238 55  VAL A CG2 
290  N N   . LEU A 42  ? 0.1332 0.2532 0.1078 0.0216  -0.0303 -0.0240 56  LEU A N   
291  C CA  . LEU A 42  ? 0.1239 0.2478 0.0984 0.0156  -0.0261 -0.0324 56  LEU A CA  
292  C C   . LEU A 42  ? 0.0984 0.2420 0.1116 -0.0098 -0.0244 -0.0218 56  LEU A C   
293  O O   . LEU A 42  ? 0.1511 0.2356 0.1133 -0.0186 -0.0192 -0.0157 56  LEU A O   
294  C CB  . LEU A 42  ? 0.1645 0.2492 0.1154 0.0215  -0.0080 -0.0205 56  LEU A CB  
295  C CG  . LEU A 42  ? 0.1379 0.2544 0.1068 0.0099  0.0167  -0.0162 56  LEU A CG  
296  C CD1 . LEU A 42  ? 0.1286 0.2565 0.1141 0.0050  0.0063  -0.0344 56  LEU A CD1 
297  C CD2 . LEU A 42  ? 0.1330 0.2691 0.1281 0.0011  0.0280  -0.0065 56  LEU A CD2 
298  N N   A THR A 43  ? 0.0718 0.2417 0.1213 -0.0121 0.0076  -0.0201 57  THR A N   
299  N N   B THR A 43  ? 0.0838 0.2467 0.1114 0.0000  -0.0138 -0.0192 57  THR A N   
300  C CA  A THR A 43  ? 0.0948 0.2436 0.1071 -0.0197 0.0055  -0.0010 57  THR A CA  
301  C CA  B THR A 43  ? 0.0714 0.2487 0.1048 0.0078  -0.0169 -0.0142 57  THR A CA  
302  C C   A THR A 43  ? 0.1110 0.2340 0.1127 -0.0028 -0.0002 0.0002  57  THR A C   
303  C C   B THR A 43  ? 0.1065 0.2473 0.1098 0.0065  -0.0029 -0.0064 57  THR A C   
304  O O   A THR A 43  ? 0.0872 0.2176 0.0933 0.0162  0.0143  -0.0098 57  THR A O   
305  O O   B THR A 43  ? 0.1044 0.2532 0.1079 0.0050  0.0033  -0.0066 57  THR A O   
306  C CB  A THR A 43  ? 0.1826 0.2566 0.1102 -0.0275 -0.0188 0.0047  57  THR A CB  
307  C CB  B THR A 43  ? 0.0739 0.2244 0.1081 0.0118  -0.0272 -0.0160 57  THR A CB  
308  O OG1 A THR A 43  ? 0.2265 0.2612 0.1315 -0.0156 -0.0080 0.0036  57  THR A OG1 
309  O OG1 B THR A 43  ? 0.0671 0.2291 0.1005 0.0124  -0.0168 -0.0182 57  THR A OG1 
310  C CG2 A THR A 43  ? 0.2332 0.2611 0.1108 -0.0429 -0.0157 0.0090  57  THR A CG2 
311  C CG2 B THR A 43  ? 0.0758 0.2443 0.1141 0.0201  -0.0231 -0.0206 57  THR A CG2 
312  N N   . GLY A 44  ? 0.1419 0.2348 0.1129 0.0134  0.0110  -0.0016 58  GLY A N   
313  C CA  . GLY A 44  ? 0.1278 0.2268 0.1282 0.0263  0.0143  -0.0019 58  GLY A CA  
314  C C   . GLY A 44  ? 0.1384 0.2203 0.1179 0.0246  0.0050  -0.0101 58  GLY A C   
315  O O   . GLY A 44  ? 0.1641 0.2201 0.1013 0.0211  -0.0029 -0.0338 58  GLY A O   
316  N N   . ARG A 45  ? 0.1300 0.2214 0.1151 0.0266  -0.0103 0.0158  59  ARG A N   
317  C CA  . ARG A 45  ? 0.1376 0.2267 0.0982 0.0343  -0.0061 0.0119  59  ARG A CA  
318  C C   . ARG A 45  ? 0.1527 0.2198 0.1028 0.0271  -0.0114 0.0016  59  ARG A C   
319  O O   . ARG A 45  ? 0.1573 0.2178 0.1038 0.0197  0.0215  -0.0115 59  ARG A O   
320  C CB  . ARG A 45  ? 0.1524 0.2381 0.0923 0.0388  0.0207  0.0129  59  ARG A CB  
321  C CG  . ARG A 45  ? 0.1934 0.2516 0.0926 0.0289  0.0184  0.0010  59  ARG A CG  
322  C CD  . ARG A 45  ? 0.1717 0.2598 0.1191 0.0387  0.0164  -0.0175 59  ARG A CD  
323  N NE  . ARG A 45  ? 0.1341 0.2645 0.1099 0.0461  0.0309  -0.0137 59  ARG A NE  
324  C CZ  . ARG A 45  ? 0.1274 0.2778 0.1047 0.0213  0.0181  -0.0059 59  ARG A CZ  
325  N NH1 . ARG A 45  ? 0.1993 0.2886 0.1110 0.0010  0.0125  -0.0078 59  ARG A NH1 
326  N NH2 . ARG A 45  ? 0.1470 0.2779 0.1118 0.0140  0.0413  -0.0152 59  ARG A NH2 
327  N N   . TYR A 46  ? 0.1884 0.2212 0.1060 0.0456  -0.0241 -0.0068 60  TYR A N   
328  C CA  . TYR A 46  ? 0.1763 0.2294 0.1205 0.0465  -0.0231 -0.0073 60  TYR A CA  
329  C C   . TYR A 46  ? 0.1532 0.2382 0.1066 0.0538  -0.0371 -0.0088 60  TYR A C   
330  O O   . TYR A 46  ? 0.1974 0.2335 0.1057 0.0530  -0.0051 -0.0233 60  TYR A O   
331  C CB  . TYR A 46  ? 0.1810 0.2263 0.1370 0.0285  0.0247  -0.0282 60  TYR A CB  
332  C CG  . TYR A 46  ? 0.1646 0.2179 0.1714 0.0153  0.0168  -0.0318 60  TYR A CG  
333  C CD1 . TYR A 46  ? 0.1670 0.2130 0.1805 0.0146  0.0080  -0.0418 60  TYR A CD1 
334  C CD2 . TYR A 46  ? 0.1914 0.2171 0.2047 0.0282  -0.0039 -0.0315 60  TYR A CD2 
335  C CE1 . TYR A 46  ? 0.1948 0.2149 0.2036 0.0336  0.0110  -0.0477 60  TYR A CE1 
336  C CE2 . TYR A 46  ? 0.2275 0.2159 0.2055 0.0211  -0.0028 -0.0465 60  TYR A CE2 
337  C CZ  . TYR A 46  ? 0.2476 0.2160 0.2258 0.0394  -0.0002 -0.0531 60  TYR A CZ  
338  O OH  . TYR A 46  ? 0.2719 0.2250 0.2546 0.0483  -0.0282 -0.0480 60  TYR A OH  
339  N N   . ASP A 47  ? 0.1421 0.2514 0.1376 0.0436  0.0004  -0.0027 61  ASP A N   
340  C CA  . ASP A 47  ? 0.1721 0.2724 0.1370 0.0643  -0.0362 -0.0191 61  ASP A CA  
341  C C   . ASP A 47  ? 0.2005 0.2852 0.1368 0.0683  0.0004  -0.0257 61  ASP A C   
342  O O   . ASP A 47  ? 0.2129 0.2876 0.1437 0.0655  -0.0031 -0.0058 61  ASP A O   
343  C CB  . ASP A 47  ? 0.1656 0.2777 0.1121 0.0653  -0.0357 -0.0204 61  ASP A CB  
344  C CG  . ASP A 47  ? 0.1896 0.2825 0.1292 0.0740  -0.0273 -0.0219 61  ASP A CG  
345  O OD1 . ASP A 47  ? 0.1884 0.2771 0.1394 0.0621  -0.0022 -0.0126 61  ASP A OD1 
346  O OD2 . ASP A 47  ? 0.1799 0.2925 0.1464 0.0755  -0.0348 -0.0305 61  ASP A OD2 
347  N N   . SER A 48  ? 0.1964 0.2947 0.1590 0.0628  0.0010  -0.0418 62  SER A N   
348  C CA  . SER A 48  ? 0.2207 0.3051 0.1839 0.0751  -0.0104 -0.0532 62  SER A CA  
349  C C   . SER A 48  ? 0.2551 0.3058 0.2193 0.1017  -0.0187 -0.0483 62  SER A C   
350  O O   . SER A 48  ? 0.2717 0.3125 0.2625 0.1214  -0.0299 -0.0531 62  SER A O   
351  C CB  . SER A 48  ? 0.2698 0.3175 0.1794 0.0540  0.0020  -0.0528 62  SER A CB  
352  O OG  . SER A 48  ? 0.2980 0.3284 0.1833 0.0323  0.0316  -0.0502 62  SER A OG  
353  N N   . ALA A 49  ? 0.2514 0.3014 0.2008 0.1061  -0.0102 -0.0368 63  ALA A N   
354  C CA  . ALA A 49  ? 0.2713 0.3011 0.2217 0.0998  0.0086  -0.0326 63  ALA A CA  
355  C C   . ALA A 49  ? 0.2440 0.3052 0.2337 0.0925  0.0040  -0.0061 63  ALA A C   
356  O O   . ALA A 49  ? 0.2304 0.2999 0.2489 0.0925  -0.0057 0.0029  63  ALA A O   
357  C CB  . ALA A 49  ? 0.2751 0.2978 0.2332 0.1229  0.0222  -0.0272 63  ALA A CB  
358  N N   . PRO A 50  ? 0.1985 0.3179 0.2375 0.0828  -0.0074 -0.0074 64  PRO A N   
359  C CA  . PRO A 50  ? 0.1942 0.3280 0.2404 0.0769  -0.0177 -0.0151 64  PRO A CA  
360  C C   . PRO A 50  ? 0.2060 0.3375 0.2489 0.0976  -0.0246 -0.0073 64  PRO A C   
361  O O   . PRO A 50  ? 0.2230 0.3365 0.2610 0.1095  -0.0571 -0.0066 64  PRO A O   
362  C CB  . PRO A 50  ? 0.2467 0.3278 0.2529 0.0579  0.0220  -0.0158 64  PRO A CB  
363  C CG  . PRO A 50  ? 0.2452 0.3245 0.2545 0.0537  0.0228  -0.0134 64  PRO A CG  
364  C CD  . PRO A 50  ? 0.2566 0.3214 0.2503 0.0610  0.0103  -0.0041 64  PRO A CD  
365  N N   . ALA A 51  ? 0.2010 0.3503 0.2449 0.0986  -0.0214 0.0005  65  ALA A N   
366  C CA  . ALA A 51  ? 0.2024 0.3614 0.2200 0.0883  -0.0182 0.0047  65  ALA A CA  
367  C C   . ALA A 51  ? 0.2379 0.3649 0.2163 0.0874  0.0059  0.0280  65  ALA A C   
368  O O   . ALA A 51  ? 0.2569 0.3677 0.2220 0.0608  0.0301  0.0243  65  ALA A O   
369  C CB  . ALA A 51  ? 0.2117 0.3682 0.2162 0.0919  -0.0239 -0.0012 65  ALA A CB  
370  N N   . THR A 52  ? 0.3002 0.3728 0.2200 0.0998  -0.0039 0.0413  66  THR A N   
371  C CA  . THR A 52  ? 0.3808 0.3789 0.2479 0.1060  0.0070  0.0500  66  THR A CA  
372  C C   . THR A 52  ? 0.3644 0.3913 0.2425 0.1078  -0.0271 0.0567  66  THR A C   
373  O O   . THR A 52  ? 0.3844 0.3938 0.2687 0.1160  -0.0203 0.0615  66  THR A O   
374  C CB  . THR A 52  ? 0.4403 0.3780 0.2927 0.1125  0.0293  0.0502  66  THR A CB  
375  O OG1 . THR A 52  ? 0.4637 0.3803 0.3234 0.1173  0.0431  0.0540  66  THR A OG1 
376  C CG2 . THR A 52  ? 0.4718 0.3763 0.3025 0.1127  0.0334  0.0408  66  THR A CG2 
377  N N   . ASP A 53  ? 0.3415 0.4037 0.2507 0.1039  -0.0322 0.0564  67  ASP A N   
378  C CA  . ASP A 53  ? 0.3037 0.4159 0.2359 0.0917  -0.0258 0.0457  67  ASP A CA  
379  C C   . ASP A 53  ? 0.2997 0.4131 0.2304 0.0990  0.0001  0.0392  67  ASP A C   
380  O O   . ASP A 53  ? 0.3180 0.4243 0.2329 0.0788  0.0150  0.0322  67  ASP A O   
381  C CB  . ASP A 53  ? 0.2836 0.4298 0.2469 0.0718  -0.0474 0.0413  67  ASP A CB  
382  C CG  . ASP A 53  ? 0.2828 0.4388 0.2665 0.0457  -0.0335 0.0373  67  ASP A CG  
383  O OD1 . ASP A 53  ? 0.2300 0.4393 0.2174 0.0506  -0.0401 0.0324  67  ASP A OD1 
384  O OD2 . ASP A 53  ? 0.3210 0.4456 0.3249 0.0335  -0.0441 0.0325  67  ASP A OD2 
385  N N   . GLY A 54  ? 0.2787 0.3987 0.2102 0.1212  -0.0094 0.0374  68  GLY A N   
386  C CA  . GLY A 54  ? 0.2630 0.3878 0.1745 0.1243  0.0041  0.0271  68  GLY A CA  
387  C C   . GLY A 54  ? 0.2688 0.3788 0.1759 0.1146  -0.0009 0.0187  68  GLY A C   
388  O O   . GLY A 54  ? 0.2864 0.3829 0.2020 0.1020  0.0094  0.0269  68  GLY A O   
389  N N   . SER A 55  ? 0.2636 0.3640 0.1422 0.0983  -0.0590 0.0098  69  SER A N   
390  C CA  . SER A 55  ? 0.2565 0.3469 0.1392 0.0831  -0.0602 0.0115  69  SER A CA  
391  C C   . SER A 55  ? 0.2367 0.3268 0.1414 0.0834  -0.0506 0.0030  69  SER A C   
392  O O   . SER A 55  ? 0.2648 0.3287 0.1787 0.0741  -0.0246 0.0168  69  SER A O   
393  C CB  . SER A 55  ? 0.2785 0.3588 0.1628 0.0587  -0.0762 -0.0051 69  SER A CB  
394  O OG  . SER A 55  ? 0.3427 0.3675 0.2099 0.0380  -0.0601 -0.0241 69  SER A OG  
395  N N   . GLY A 56  ? 0.1960 0.3084 0.1310 0.0886  -0.0468 -0.0063 70  GLY A N   
396  C CA  . GLY A 56  ? 0.1912 0.2894 0.1211 0.0766  -0.0502 -0.0088 70  GLY A CA  
397  C C   . GLY A 56  ? 0.2111 0.2652 0.1030 0.0697  -0.0054 -0.0109 70  GLY A C   
398  O O   . GLY A 56  ? 0.2348 0.2647 0.1194 0.0842  -0.0068 -0.0196 70  GLY A O   
399  N N   . THR A 57  ? 0.1826 0.2530 0.0846 0.0533  -0.0264 -0.0095 71  THR A N   
400  C CA  . THR A 57  ? 0.1945 0.2539 0.1058 0.0486  -0.0222 -0.0191 71  THR A CA  
401  C C   . THR A 57  ? 0.1800 0.2461 0.0979 0.0529  -0.0058 -0.0116 71  THR A C   
402  O O   . THR A 57  ? 0.1611 0.2487 0.1206 0.0325  0.0153  -0.0069 71  THR A O   
403  C CB  . THR A 57  ? 0.2331 0.2602 0.1222 0.0647  -0.0284 -0.0084 71  THR A CB  
404  O OG1 . THR A 57  ? 0.2406 0.2579 0.1645 0.0751  -0.0148 0.0052  71  THR A OG1 
405  C CG2 . THR A 57  ? 0.2044 0.2663 0.1295 0.0678  -0.0167 -0.0155 71  THR A CG2 
406  N N   . ALA A 58  ? 0.1686 0.2505 0.0902 0.0688  -0.0201 -0.0074 72  ALA A N   
407  C CA  . ALA A 58  ? 0.1338 0.2580 0.0897 0.0532  -0.0171 -0.0005 72  ALA A CA  
408  C C   . ALA A 58  ? 0.1540 0.2517 0.0857 0.0584  0.0044  -0.0122 72  ALA A C   
409  O O   . ALA A 58  ? 0.1934 0.2405 0.1047 0.0623  0.0062  -0.0057 72  ALA A O   
410  C CB  . ALA A 58  ? 0.1538 0.2642 0.1121 0.0409  0.0039  -0.0043 72  ALA A CB  
411  N N   . LEU A 59  ? 0.1316 0.2507 0.1041 0.0468  -0.0198 -0.0072 73  LEU A N   
412  C CA  . LEU A 59  ? 0.1368 0.2592 0.1306 0.0343  -0.0238 0.0009  73  LEU A CA  
413  C C   . LEU A 59  ? 0.1527 0.2429 0.1066 0.0516  -0.0227 -0.0080 73  LEU A C   
414  O O   . LEU A 59  ? 0.1976 0.2451 0.0857 0.0353  -0.0103 -0.0280 73  LEU A O   
415  C CB  . LEU A 59  ? 0.1320 0.2702 0.1831 0.0167  0.0350  0.0023  73  LEU A CB  
416  C CG  . LEU A 59  ? 0.2689 0.2885 0.2644 0.0043  0.1047  0.0075  73  LEU A CG  
417  C CD1 . LEU A 59  ? 0.3023 0.2946 0.2775 0.0015  0.1057  0.0109  73  LEU A CD1 
418  C CD2 . LEU A 59  ? 0.3225 0.2907 0.2884 0.0024  0.1449  0.0201  73  LEU A CD2 
419  N N   . GLY A 60  ? 0.1024 0.2322 0.0938 0.0317  -0.0146 -0.0052 74  GLY A N   
420  C CA  . GLY A 60  ? 0.1452 0.2220 0.0887 0.0177  -0.0223 -0.0030 74  GLY A CA  
421  C C   . GLY A 60  ? 0.1150 0.2048 0.0771 0.0005  -0.0144 0.0032  74  GLY A C   
422  O O   . GLY A 60  ? 0.1764 0.1880 0.0766 0.0095  0.0112  -0.0179 74  GLY A O   
423  N N   . TRP A 61  ? 0.0897 0.2026 0.1012 0.0012  -0.0034 0.0126  75  TRP A N   
424  C CA  . TRP A 61  ? 0.1086 0.2106 0.0932 -0.0057 -0.0095 0.0167  75  TRP A CA  
425  C C   . TRP A 61  ? 0.1048 0.2122 0.0745 0.0033  0.0065  -0.0005 75  TRP A C   
426  O O   . TRP A 61  ? 0.1176 0.2132 0.0679 0.0106  -0.0188 -0.0090 75  TRP A O   
427  C CB  . TRP A 61  ? 0.1339 0.2036 0.0966 -0.0238 0.0373  -0.0022 75  TRP A CB  
428  C CG  . TRP A 61  ? 0.1490 0.1966 0.0925 -0.0179 0.0292  0.0151  75  TRP A CG  
429  C CD1 . TRP A 61  ? 0.1724 0.1891 0.1006 -0.0069 0.0136  -0.0061 75  TRP A CD1 
430  C CD2 . TRP A 61  ? 0.1865 0.1863 0.0791 -0.0326 0.0224  0.0113  75  TRP A CD2 
431  N NE1 . TRP A 61  ? 0.1747 0.1817 0.0830 -0.0025 -0.0035 -0.0167 75  TRP A NE1 
432  C CE2 . TRP A 61  ? 0.1852 0.1811 0.0679 -0.0320 0.0041  -0.0030 75  TRP A CE2 
433  C CE3 . TRP A 61  ? 0.1851 0.1852 0.0813 -0.0255 -0.0026 0.0089  75  TRP A CE3 
434  C CZ2 . TRP A 61  ? 0.1938 0.1842 0.0808 -0.0440 -0.0018 0.0083  75  TRP A CZ2 
435  C CZ3 . TRP A 61  ? 0.1989 0.1889 0.1118 -0.0150 0.0068  0.0035  75  TRP A CZ3 
436  C CH2 . TRP A 61  ? 0.1752 0.1859 0.0898 -0.0331 -0.0039 0.0002  75  TRP A CH2 
437  N N   . THR A 62  ? 0.1016 0.2168 0.0716 0.0167  -0.0134 -0.0082 76  THR A N   
438  C CA  . THR A 62  ? 0.1163 0.2037 0.0714 0.0119  -0.0085 0.0062  76  THR A CA  
439  C C   . THR A 62  ? 0.1086 0.1982 0.0737 -0.0111 0.0049  -0.0124 76  THR A C   
440  O O   . THR A 62  ? 0.1341 0.1970 0.1043 -0.0254 0.0042  -0.0089 76  THR A O   
441  C CB  . THR A 62  ? 0.1327 0.2033 0.0987 0.0119  0.0135  0.0140  76  THR A CB  
442  O OG1 . THR A 62  ? 0.1351 0.2137 0.0971 -0.0042 0.0102  0.0234  76  THR A OG1 
443  C CG2 . THR A 62  ? 0.1132 0.2061 0.1153 -0.0149 0.0306  0.0058  76  THR A CG2 
444  N N   . VAL A 63  ? 0.1268 0.2048 0.0826 0.0042  0.0130  0.0105  77  VAL A N   
445  C CA  . VAL A 63  ? 0.1005 0.2128 0.0816 -0.0060 -0.0119 0.0018  77  VAL A CA  
446  C C   . VAL A 63  ? 0.1039 0.2263 0.0935 -0.0100 -0.0276 -0.0101 77  VAL A C   
447  O O   . VAL A 63  ? 0.1185 0.2275 0.0912 -0.0090 -0.0131 -0.0174 77  VAL A O   
448  C CB  . VAL A 63  ? 0.0946 0.2258 0.1038 -0.0025 -0.0122 0.0041  77  VAL A CB  
449  C CG1 . VAL A 63  ? 0.0834 0.2343 0.1460 -0.0190 0.0074  -0.0109 77  VAL A CG1 
450  C CG2 . VAL A 63  ? 0.1252 0.2252 0.1156 0.0043  -0.0019 0.0190  77  VAL A CG2 
451  N N   . ALA A 64  ? 0.1062 0.2375 0.1015 0.0173  -0.0231 -0.0006 78  ALA A N   
452  C CA  . ALA A 64  ? 0.1124 0.2505 0.0958 0.0203  -0.0019 0.0215  78  ALA A CA  
453  C C   . ALA A 64  ? 0.1050 0.2494 0.1095 0.0203  -0.0056 0.0037  78  ALA A C   
454  O O   . ALA A 64  ? 0.1245 0.2512 0.1023 -0.0033 -0.0181 -0.0095 78  ALA A O   
455  C CB  . ALA A 64  ? 0.1515 0.2589 0.0889 0.0022  -0.0195 0.0224  78  ALA A CB  
456  N N   . TRP A 65  ? 0.1036 0.2428 0.0881 -0.0045 -0.0031 -0.0073 79  TRP A N   
457  C CA  . TRP A 65  ? 0.0999 0.2435 0.0998 0.0130  -0.0100 -0.0144 79  TRP A CA  
458  C C   . TRP A 65  ? 0.1030 0.2450 0.1158 -0.0023 0.0127  0.0042  79  TRP A C   
459  O O   . TRP A 65  ? 0.1334 0.2459 0.1042 -0.0052 -0.0186 0.0030  79  TRP A O   
460  C CB  . TRP A 65  ? 0.0950 0.2478 0.1224 0.0182  -0.0114 -0.0197 79  TRP A CB  
461  C CG  . TRP A 65  ? 0.0974 0.2439 0.0934 0.0100  0.0159  -0.0010 79  TRP A CG  
462  C CD1 . TRP A 65  ? 0.0742 0.2434 0.1178 0.0131  -0.0135 -0.0061 79  TRP A CD1 
463  C CD2 . TRP A 65  ? 0.0996 0.2438 0.1124 -0.0079 0.0101  0.0135  79  TRP A CD2 
464  N NE1 . TRP A 65  ? 0.1145 0.2399 0.1097 0.0130  0.0141  -0.0145 79  TRP A NE1 
465  C CE2 . TRP A 65  ? 0.1188 0.2412 0.1029 -0.0034 0.0055  0.0135  79  TRP A CE2 
466  C CE3 . TRP A 65  ? 0.1486 0.2454 0.1165 -0.0035 0.0226  0.0149  79  TRP A CE3 
467  C CZ2 . TRP A 65  ? 0.1512 0.2430 0.1009 0.0006  0.0017  0.0002  79  TRP A CZ2 
468  C CZ3 . TRP A 65  ? 0.1951 0.2439 0.1236 -0.0158 0.0093  0.0017  79  TRP A CZ3 
469  C CH2 . TRP A 65  ? 0.1876 0.2459 0.1048 -0.0093 -0.0038 -0.0030 79  TRP A CH2 
470  N N   . LYS A 66  ? 0.1199 0.2519 0.0870 -0.0172 -0.0310 0.0039  80  LYS A N   
471  C CA  . LYS A 66  ? 0.1411 0.2686 0.0919 -0.0106 -0.0275 -0.0123 80  LYS A CA  
472  C C   . LYS A 66  ? 0.1259 0.2740 0.1108 -0.0122 -0.0103 -0.0178 80  LYS A C   
473  O O   . LYS A 66  ? 0.1168 0.2707 0.1101 -0.0049 -0.0007 -0.0168 80  LYS A O   
474  C CB  . LYS A 66  ? 0.1255 0.2725 0.1186 -0.0037 -0.0518 0.0094  80  LYS A CB  
475  C CG  . LYS A 66  ? 0.1514 0.2972 0.1059 -0.0009 -0.0291 0.0226  80  LYS A CG  
476  C CD  . LYS A 66  ? 0.2350 0.3108 0.1267 0.0003  -0.0381 0.0150  80  LYS A CD  
477  C CE  . LYS A 66  ? 0.3031 0.3211 0.1762 -0.0008 -0.0310 -0.0193 80  LYS A CE  
478  N NZ  . LYS A 66  ? 0.3556 0.3307 0.2031 -0.0070 -0.0261 -0.0405 80  LYS A NZ  
479  N N   . ASN A 67  ? 0.1075 0.2860 0.1195 -0.0277 -0.0301 -0.0149 81  ASN A N   
480  C CA  . ASN A 67  ? 0.1081 0.2926 0.1119 -0.0336 -0.0211 -0.0212 81  ASN A CA  
481  C C   . ASN A 67  ? 0.1135 0.3000 0.1374 -0.0299 -0.0235 -0.0198 81  ASN A C   
482  O O   . ASN A 67  ? 0.1790 0.2957 0.1595 -0.0304 -0.0489 -0.0032 81  ASN A O   
483  C CB  . ASN A 67  ? 0.1172 0.2947 0.1056 -0.0277 0.0067  -0.0086 81  ASN A CB  
484  C CG  . ASN A 67  ? 0.1378 0.2929 0.1250 -0.0251 0.0022  -0.0255 81  ASN A CG  
485  O OD1 . ASN A 67  ? 0.1303 0.2884 0.1333 -0.0085 -0.0035 -0.0313 81  ASN A OD1 
486  N ND2 . ASN A 67  ? 0.0891 0.2997 0.1192 -0.0396 -0.0091 -0.0142 81  ASN A ND2 
487  N N   . ASN A 68  ? 0.0950 0.3092 0.1325 -0.0239 -0.0091 -0.0326 82  ASN A N   
488  C CA  . ASN A 68  ? 0.1231 0.3121 0.1672 -0.0121 -0.0438 -0.0402 82  ASN A CA  
489  C C   . ASN A 68  ? 0.1065 0.3039 0.1987 -0.0131 -0.0214 -0.0235 82  ASN A C   
490  O O   . ASN A 68  ? 0.1606 0.3038 0.2073 -0.0126 -0.0194 -0.0137 82  ASN A O   
491  C CB  . ASN A 68  ? 0.2047 0.3359 0.2088 -0.0192 -0.0557 -0.0500 82  ASN A CB  
492  C CG  . ASN A 68  ? 0.2770 0.3520 0.2261 -0.0157 -0.0458 -0.0675 82  ASN A CG  
493  O OD1 . ASN A 68  ? 0.2774 0.3643 0.2539 -0.0088 -0.0588 -0.0753 82  ASN A OD1 
494  N ND2 . ASN A 68  ? 0.3411 0.3596 0.2508 -0.0098 -0.0164 -0.0834 82  ASN A ND2 
495  N N   A TYR A 69  ? 0.0935 0.3021 0.2076 -0.0145 -0.0058 -0.0202 83  TYR A N   
496  N N   B TYR A 69  ? 0.1136 0.2963 0.2045 -0.0177 -0.0027 -0.0171 83  TYR A N   
497  C CA  A TYR A 69  ? 0.0813 0.2954 0.2124 -0.0078 0.0251  -0.0163 83  TYR A CA  
498  C CA  B TYR A 69  ? 0.1158 0.2867 0.2065 -0.0141 0.0211  -0.0120 83  TYR A CA  
499  C C   A TYR A 69  ? 0.0802 0.2907 0.2253 0.0011  0.0294  -0.0041 83  TYR A C   
500  C C   B TYR A 69  ? 0.1199 0.2942 0.2047 -0.0125 0.0091  -0.0055 83  TYR A C   
501  O O   A TYR A 69  ? 0.0966 0.3022 0.2393 0.0202  0.0342  0.0020  83  TYR A O   
502  O O   B TYR A 69  ? 0.1600 0.2998 0.1887 -0.0161 -0.0200 -0.0018 83  TYR A O   
503  C CB  A TYR A 69  ? 0.1116 0.2987 0.2121 -0.0109 0.0153  -0.0251 83  TYR A CB  
504  C CB  B TYR A 69  ? 0.1425 0.2749 0.2207 -0.0105 0.0325  -0.0163 83  TYR A CB  
505  C CG  A TYR A 69  ? 0.1208 0.3013 0.2095 -0.0279 -0.0012 -0.0338 83  TYR A CG  
506  C CG  B TYR A 69  ? 0.1494 0.2660 0.2397 -0.0127 0.0514  -0.0209 83  TYR A CG  
507  C CD1 A TYR A 69  ? 0.1027 0.3033 0.2140 -0.0433 -0.0211 -0.0378 83  TYR A CD1 
508  C CD1 B TYR A 69  ? 0.1496 0.2608 0.2557 -0.0059 0.0634  -0.0242 83  TYR A CD1 
509  C CD2 A TYR A 69  ? 0.1264 0.3015 0.2024 -0.0237 -0.0168 -0.0355 83  TYR A CD2 
510  C CD2 B TYR A 69  ? 0.1546 0.2616 0.2439 -0.0117 0.0365  -0.0185 83  TYR A CD2 
511  C CE1 A TYR A 69  ? 0.0997 0.2928 0.2123 -0.0484 -0.0266 -0.0329 83  TYR A CE1 
512  C CE1 B TYR A 69  ? 0.1831 0.2587 0.2696 -0.0131 0.0677  -0.0191 83  TYR A CE1 
513  C CE2 A TYR A 69  ? 0.1372 0.3044 0.2090 -0.0409 -0.0165 -0.0404 83  TYR A CE2 
514  C CE2 B TYR A 69  ? 0.1481 0.2561 0.2484 -0.0162 0.0500  -0.0079 83  TYR A CE2 
515  C CZ  A TYR A 69  ? 0.1192 0.3052 0.2121 -0.0598 -0.0048 -0.0409 83  TYR A CZ  
516  C CZ  B TYR A 69  ? 0.1852 0.2567 0.2655 -0.0169 0.0456  -0.0131 83  TYR A CZ  
517  O OH  A TYR A 69  ? 0.1578 0.3129 0.2278 -0.0551 0.0455  -0.0395 83  TYR A OH  
518  O OH  B TYR A 69  ? 0.2532 0.2616 0.2737 -0.0130 0.0453  -0.0172 83  TYR A OH  
519  N N   . ARG A 70  ? 0.1184 0.2970 0.2063 -0.0066 0.0038  -0.0036 84  ARG A N   
520  C CA  . ARG A 70  ? 0.1617 0.2947 0.2005 0.0027  0.0204  -0.0171 84  ARG A CA  
521  C C   . ARG A 70  ? 0.1218 0.2768 0.1572 -0.0027 0.0016  -0.0176 84  ARG A C   
522  O O   . ARG A 70  ? 0.1315 0.2692 0.1612 0.0066  -0.0106 -0.0171 84  ARG A O   
523  C CB  . ARG A 70  ? 0.2150 0.3172 0.2369 0.0223  0.0574  -0.0178 84  ARG A CB  
524  C CG  . ARG A 70  ? 0.2814 0.3369 0.2458 0.0253  0.0849  -0.0217 84  ARG A CG  
525  C CD  . ARG A 70  ? 0.3382 0.3512 0.2693 0.0166  0.0744  -0.0253 84  ARG A CD  
526  N NE  . ARG A 70  ? 0.4185 0.3659 0.3374 0.0178  0.0729  -0.0257 84  ARG A NE  
527  C CZ  . ARG A 70  ? 0.4664 0.3758 0.3881 0.0113  0.0624  -0.0272 84  ARG A CZ  
528  N NH1 . ARG A 70  ? 0.4911 0.3800 0.4237 0.0098  0.0468  -0.0288 84  ARG A NH1 
529  N NH2 . ARG A 70  ? 0.5030 0.3806 0.4122 -0.0017 0.0648  -0.0241 84  ARG A NH2 
530  N N   . ASN A 71  ? 0.1199 0.2756 0.1622 -0.0093 -0.0109 -0.0146 85  ASN A N   
531  C CA  . ASN A 71  ? 0.1057 0.2698 0.1590 0.0015  -0.0033 -0.0103 85  ASN A CA  
532  C C   . ASN A 71  ? 0.1598 0.2566 0.1582 0.0121  -0.0042 -0.0158 85  ASN A C   
533  O O   . ASN A 71  ? 0.1756 0.2695 0.1798 0.0306  -0.0408 -0.0061 85  ASN A O   
534  C CB  . ASN A 71  ? 0.0836 0.2701 0.1619 -0.0011 -0.0138 -0.0002 85  ASN A CB  
535  C CG  . ASN A 71  ? 0.1276 0.2594 0.1504 0.0035  -0.0142 -0.0095 85  ASN A CG  
536  O OD1 . ASN A 71  ? 0.1410 0.2467 0.1397 0.0096  -0.0171 -0.0062 85  ASN A OD1 
537  N ND2 . ASN A 71  ? 0.1559 0.2569 0.1481 0.0018  0.0279  -0.0303 85  ASN A ND2 
538  N N   . ALA A 72  ? 0.1473 0.2375 0.1294 0.0049  0.0064  -0.0016 86  ALA A N   
539  C CA  . ALA A 72  ? 0.1549 0.2344 0.1130 0.0064  0.0178  0.0194  86  ALA A CA  
540  C C   . ALA A 72  ? 0.1315 0.2341 0.1345 0.0080  0.0122  0.0122  86  ALA A C   
541  O O   . ALA A 72  ? 0.1791 0.2330 0.1412 -0.0048 -0.0110 0.0055  86  ALA A O   
542  C CB  . ALA A 72  ? 0.1702 0.2369 0.1116 0.0284  0.0034  0.0351  86  ALA A CB  
543  N N   . HIS A 73  ? 0.1261 0.2355 0.1149 0.0134  -0.0121 0.0178  87  HIS A N   
544  C CA  . HIS A 73  ? 0.1264 0.2430 0.1201 0.0132  -0.0335 0.0269  87  HIS A CA  
545  C C   . HIS A 73  ? 0.1284 0.2308 0.1151 -0.0071 -0.0301 0.0219  87  HIS A C   
546  O O   . HIS A 73  ? 0.1121 0.2334 0.1381 -0.0079 -0.0258 0.0148  87  HIS A O   
547  C CB  . HIS A 73  ? 0.1264 0.2650 0.1397 0.0332  -0.0298 0.0074  87  HIS A CB  
548  C CG  . HIS A 73  ? 0.1378 0.2836 0.1286 0.0210  -0.0289 -0.0091 87  HIS A CG  
549  N ND1 . HIS A 73  ? 0.1322 0.2881 0.1226 0.0214  -0.0515 0.0014  87  HIS A ND1 
550  C CD2 . HIS A 73  ? 0.1811 0.2983 0.1520 0.0357  -0.0212 -0.0147 87  HIS A CD2 
551  C CE1 . HIS A 73  ? 0.1659 0.2946 0.1411 0.0171  -0.0343 -0.0087 87  HIS A CE1 
552  N NE2 . HIS A 73  ? 0.1723 0.3044 0.1564 0.0252  -0.0297 -0.0244 87  HIS A NE2 
553  N N   . SER A 74  ? 0.0878 0.2120 0.1290 0.0088  -0.0477 0.0122  88  SER A N   
554  C CA  . SER A 74  ? 0.0940 0.2216 0.0968 0.0180  -0.0308 0.0176  88  SER A CA  
555  C C   . SER A 74  ? 0.1147 0.2089 0.0818 0.0130  -0.0288 0.0320  88  SER A C   
556  O O   . SER A 74  ? 0.1485 0.2036 0.0933 -0.0180 -0.0113 0.0160  88  SER A O   
557  C CB  . SER A 74  ? 0.1616 0.2371 0.1104 -0.0064 0.0180  0.0083  88  SER A CB  
558  O OG  . SER A 74  ? 0.1447 0.2513 0.1195 -0.0085 0.0115  0.0040  88  SER A OG  
559  N N   . ALA A 75  ? 0.1241 0.2151 0.0754 0.0209  0.0122  0.0361  89  ALA A N   
560  C CA  . ALA A 75  ? 0.1288 0.2197 0.0818 0.0380  0.0105  0.0225  89  ALA A CA  
561  C C   . ALA A 75  ? 0.1410 0.2045 0.0560 0.0115  0.0056  0.0168  89  ALA A C   
562  O O   . ALA A 75  ? 0.1309 0.2089 0.0827 0.0057  -0.0086 0.0152  89  ALA A O   
563  C CB  . ALA A 75  ? 0.1466 0.2388 0.0931 0.0228  -0.0015 0.0118  89  ALA A CB  
564  N N   . THR A 76  ? 0.1258 0.1925 0.0534 0.0146  -0.0015 0.0151  90  THR A N   
565  C CA  . THR A 76  ? 0.1158 0.1896 0.0567 0.0007  0.0117  0.0232  90  THR A CA  
566  C C   . THR A 76  ? 0.0882 0.1887 0.0575 -0.0019 -0.0064 0.0126  90  THR A C   
567  O O   . THR A 76  ? 0.1206 0.1985 0.0858 -0.0049 -0.0089 -0.0099 90  THR A O   
568  C CB  . THR A 76  ? 0.1393 0.1853 0.0677 -0.0019 0.0033  0.0090  90  THR A CB  
569  O OG1 . THR A 76  ? 0.1360 0.1841 0.0990 0.0041  0.0200  -0.0099 90  THR A OG1 
570  C CG2 . THR A 76  ? 0.1910 0.1769 0.0581 -0.0008 -0.0009 0.0240  90  THR A CG2 
571  N N   . THR A 77  ? 0.0989 0.1917 0.0883 -0.0083 -0.0283 0.0281  91  THR A N   
572  C CA  . THR A 77  ? 0.0921 0.1860 0.0821 -0.0015 -0.0095 0.0310  91  THR A CA  
573  C C   . THR A 77  ? 0.1339 0.1834 0.0711 0.0031  -0.0084 0.0107  91  THR A C   
574  O O   . THR A 77  ? 0.1748 0.1866 0.0754 0.0148  0.0108  0.0152  91  THR A O   
575  C CB  . THR A 77  ? 0.1318 0.1907 0.0901 -0.0379 0.0067  0.0235  91  THR A CB  
576  O OG1 . THR A 77  ? 0.1738 0.1840 0.1101 -0.0490 -0.0132 0.0214  91  THR A OG1 
577  C CG2 . THR A 77  ? 0.1295 0.2004 0.1093 -0.0087 0.0169  0.0268  91  THR A CG2 
578  N N   . TRP A 78  ? 0.1065 0.1753 0.0777 0.0258  -0.0070 0.0141  92  TRP A N   
579  C CA  . TRP A 78  ? 0.1231 0.1773 0.0945 0.0096  -0.0176 0.0150  92  TRP A CA  
580  C C   . TRP A 78  ? 0.1048 0.1881 0.0824 0.0104  -0.0135 0.0118  92  TRP A C   
581  O O   . TRP A 78  ? 0.1276 0.2109 0.0771 0.0252  -0.0078 -0.0110 92  TRP A O   
582  C CB  . TRP A 78  ? 0.1368 0.1768 0.0822 0.0117  -0.0055 0.0179  92  TRP A CB  
583  C CG  . TRP A 78  ? 0.1470 0.1794 0.0897 0.0076  0.0133  -0.0016 92  TRP A CG  
584  C CD1 . TRP A 78  ? 0.1016 0.1846 0.1009 0.0218  0.0339  0.0014  92  TRP A CD1 
585  C CD2 . TRP A 78  ? 0.1269 0.1806 0.0889 -0.0069 -0.0082 0.0151  92  TRP A CD2 
586  N NE1 . TRP A 78  ? 0.1258 0.1853 0.0978 0.0111  0.0082  0.0013  92  TRP A NE1 
587  C CE2 . TRP A 78  ? 0.1387 0.1858 0.0877 -0.0103 -0.0129 0.0035  92  TRP A CE2 
588  C CE3 . TRP A 78  ? 0.1389 0.1881 0.0843 0.0028  -0.0256 0.0004  92  TRP A CE3 
589  C CZ2 . TRP A 78  ? 0.1770 0.1872 0.1055 -0.0022 -0.0079 -0.0132 92  TRP A CZ2 
590  C CZ3 . TRP A 78  ? 0.1397 0.1865 0.0790 0.0038  -0.0080 -0.0197 92  TRP A CZ3 
591  C CH2 . TRP A 78  ? 0.1496 0.1882 0.0922 0.0193  -0.0080 -0.0012 92  TRP A CH2 
592  N N   . SER A 79  ? 0.1079 0.1905 0.1033 -0.0017 -0.0356 0.0132  93  SER A N   
593  C CA  . SER A 79  ? 0.1371 0.1994 0.1122 0.0004  -0.0171 0.0254  93  SER A CA  
594  C C   . SER A 79  ? 0.1399 0.2043 0.0828 0.0225  0.0038  0.0302  93  SER A C   
595  O O   . SER A 79  ? 0.1427 0.2111 0.0782 0.0374  0.0068  0.0024  93  SER A O   
596  C CB  . SER A 79  ? 0.1055 0.2166 0.1582 -0.0216 0.0231  0.0237  93  SER A CB  
597  O OG  . SER A 79  ? 0.1041 0.2316 0.1663 0.0012  -0.0005 0.0520  93  SER A OG  
598  N N   . GLY A 80  ? 0.1165 0.2004 0.0942 0.0177  -0.0019 0.0169  94  GLY A N   
599  C CA  . GLY A 80  ? 0.1643 0.2006 0.0911 0.0216  0.0022  0.0257  94  GLY A CA  
600  C C   . GLY A 80  ? 0.1388 0.2040 0.0918 0.0329  -0.0031 0.0234  94  GLY A C   
601  O O   . GLY A 80  ? 0.1309 0.2006 0.0945 0.0374  -0.0031 0.0091  94  GLY A O   
602  N N   . GLN A 81  ? 0.1410 0.2107 0.1226 0.0500  0.0069  0.0162  95  GLN A N   
603  C CA  . GLN A 81  ? 0.1652 0.2247 0.1238 0.0427  -0.0048 0.0183  95  GLN A CA  
604  C C   . GLN A 81  ? 0.1553 0.2164 0.0865 0.0443  0.0032  0.0104  95  GLN A C   
605  O O   . GLN A 81  ? 0.1904 0.2072 0.1047 0.0350  -0.0163 0.0111  95  GLN A O   
606  C CB  . GLN A 81  ? 0.2159 0.2439 0.1411 0.0243  -0.0197 -0.0005 95  GLN A CB  
607  C CG  . GLN A 81  ? 0.2404 0.2573 0.1380 0.0291  -0.0180 -0.0119 95  GLN A CG  
608  C CD  . GLN A 81  ? 0.2435 0.2582 0.1417 0.0489  -0.0319 -0.0237 95  GLN A CD  
609  O OE1 . GLN A 81  ? 0.2412 0.2590 0.1322 0.0553  -0.0350 -0.0070 95  GLN A OE1 
610  N NE2 . GLN A 81  ? 0.2532 0.2629 0.1687 0.0551  -0.0315 -0.0440 95  GLN A NE2 
611  N N   . TYR A 82  ? 0.1580 0.2220 0.1094 0.0487  -0.0002 0.0066  96  TYR A N   
612  C CA  . TYR A 82  ? 0.2230 0.2349 0.1232 0.0374  -0.0013 0.0227  96  TYR A CA  
613  C C   . TYR A 82  ? 0.1909 0.2513 0.1494 0.0311  -0.0156 0.0306  96  TYR A C   
614  O O   . TYR A 82  ? 0.1968 0.2501 0.1646 0.0338  -0.0386 0.0233  96  TYR A O   
615  C CB  . TYR A 82  ? 0.2465 0.2346 0.1571 0.0320  0.0113  0.0138  96  TYR A CB  
616  C CG  . TYR A 82  ? 0.2658 0.2374 0.1609 0.0500  0.0119  0.0223  96  TYR A CG  
617  C CD1 . TYR A 82  ? 0.2796 0.2366 0.1706 0.0329  0.0279  0.0195  96  TYR A CD1 
618  C CD2 . TYR A 82  ? 0.2802 0.2427 0.2248 0.0532  0.0366  0.0355  96  TYR A CD2 
619  C CE1 . TYR A 82  ? 0.2863 0.2386 0.2105 0.0367  0.0449  0.0340  96  TYR A CE1 
620  C CE2 . TYR A 82  ? 0.2694 0.2422 0.2390 0.0563  0.0303  0.0483  96  TYR A CE2 
621  C CZ  . TYR A 82  ? 0.3036 0.2373 0.2382 0.0302  0.0382  0.0461  96  TYR A CZ  
622  O OH  . TYR A 82  ? 0.3351 0.2352 0.2846 0.0071  0.0428  0.0310  96  TYR A OH  
623  N N   . VAL A 83  ? 0.2037 0.2767 0.1337 0.0345  -0.0124 0.0553  97  VAL A N   
624  C CA  . VAL A 83  ? 0.2617 0.3073 0.2052 0.0203  -0.0180 0.0727  97  VAL A CA  
625  C C   . VAL A 83  ? 0.3024 0.3181 0.2656 0.0302  0.0098  0.1172  97  VAL A C   
626  O O   . VAL A 83  ? 0.3075 0.3207 0.2950 0.0306  0.0417  0.1292  97  VAL A O   
627  C CB  . VAL A 83  ? 0.2748 0.3181 0.1966 0.0134  -0.0811 0.0568  97  VAL A CB  
628  C CG1 . VAL A 83  ? 0.2889 0.3255 0.2115 0.0190  -0.0967 0.0631  97  VAL A CG1 
629  C CG2 . VAL A 83  ? 0.2829 0.3221 0.2048 0.0145  -0.0824 0.0454  97  VAL A CG2 
630  N N   . GLY A 84  ? 0.3486 0.3321 0.3011 0.0389  0.0219  0.1338  98  GLY A N   
631  C CA  . GLY A 84  ? 0.4163 0.3485 0.3289 0.0485  0.0219  0.1384  98  GLY A CA  
632  C C   . GLY A 84  ? 0.4783 0.3640 0.3571 0.0569  -0.0005 0.1478  98  GLY A C   
633  O O   . GLY A 84  ? 0.5013 0.3700 0.3560 0.0649  -0.0054 0.1523  98  GLY A O   
634  N N   . GLY A 85  ? 0.5132 0.3749 0.3894 0.0593  0.0148  0.1467  99  GLY A N   
635  C CA  . GLY A 85  ? 0.5436 0.3831 0.4046 0.0623  0.0199  0.1482  99  GLY A CA  
636  C C   . GLY A 85  ? 0.5689 0.3892 0.4295 0.0657  0.0331  0.1431  99  GLY A C   
637  O O   . GLY A 85  ? 0.5865 0.3940 0.4560 0.0761  0.0498  0.1355  99  GLY A O   
638  N N   . ALA A 86  ? 0.5748 0.3887 0.4386 0.0558  0.0426  0.1458  100 ALA A N   
639  C CA  . ALA A 86  ? 0.5707 0.3849 0.4467 0.0455  0.0441  0.1391  100 ALA A CA  
640  C C   . ALA A 86  ? 0.5623 0.3770 0.4367 0.0304  0.0297  0.1289  100 ALA A C   
641  O O   . ALA A 86  ? 0.6024 0.3838 0.4678 0.0210  0.0319  0.1212  100 ALA A O   
642  C CB  . ALA A 86  ? 0.5769 0.3876 0.4503 0.0531  0.0500  0.1444  100 ALA A CB  
643  N N   . GLU A 87  ? 0.5089 0.3597 0.3820 0.0350  0.0360  0.1323  101 GLU A N   
644  C CA  . GLU A 87  ? 0.4484 0.3474 0.3330 0.0473  0.0362  0.1284  101 GLU A CA  
645  C C   . GLU A 87  ? 0.3774 0.3313 0.2755 0.0496  0.0213  0.1293  101 GLU A C   
646  O O   . GLU A 87  ? 0.3596 0.3363 0.2472 0.0457  0.0023  0.1330  101 GLU A O   
647  C CB  . GLU A 87  ? 0.4497 0.3496 0.3493 0.0471  0.0489  0.1228  101 GLU A CB  
648  C CG  . GLU A 87  ? 0.4513 0.3530 0.3672 0.0462  0.0447  0.1084  101 GLU A CG  
649  C CD  . GLU A 87  ? 0.4606 0.3571 0.3823 0.0442  0.0429  0.0937  101 GLU A CD  
650  O OE1 . GLU A 87  ? 0.4674 0.3589 0.3842 0.0406  0.0394  0.0878  101 GLU A OE1 
651  O OE2 . GLU A 87  ? 0.4646 0.3579 0.3922 0.0477  0.0437  0.0889  101 GLU A OE2 
652  N N   . ALA A 88  ? 0.3600 0.3146 0.2474 0.0555  0.0092  0.1248  102 ALA A N   
653  C CA  . ALA A 88  ? 0.3667 0.3024 0.2165 0.0493  0.0244  0.1093  102 ALA A CA  
654  C C   . ALA A 88  ? 0.3375 0.2915 0.1950 0.0481  0.0055  0.0858  102 ALA A C   
655  O O   . ALA A 88  ? 0.3295 0.2908 0.2016 0.0393  0.0115  0.0874  102 ALA A O   
656  C CB  . ALA A 88  ? 0.3969 0.3075 0.2398 0.0434  0.0248  0.0960  102 ALA A CB  
657  N N   . ARG A 89  ? 0.3076 0.2791 0.1731 0.0408  0.0128  0.0742  103 ARG A N   
658  C CA  . ARG A 89  ? 0.3099 0.2661 0.1445 0.0216  -0.0043 0.0544  103 ARG A CA  
659  C C   . ARG A 89  ? 0.2401 0.2469 0.1339 0.0262  -0.0157 0.0424  103 ARG A C   
660  O O   . ARG A 89  ? 0.2559 0.2539 0.1662 0.0319  -0.0180 0.0510  103 ARG A O   
661  C CB  . ARG A 89  ? 0.3777 0.2851 0.1814 0.0108  0.0055  0.0352  103 ARG A CB  
662  C CG  . ARG A 89  ? 0.4210 0.2901 0.1887 -0.0040 0.0056  0.0416  103 ARG A CG  
663  C CD  . ARG A 89  ? 0.4413 0.2943 0.1742 -0.0168 0.0015  0.0514  103 ARG A CD  
664  N NE  . ARG A 89  ? 0.4616 0.2996 0.1919 -0.0305 0.0142  0.0385  103 ARG A NE  
665  C CZ  . ARG A 89  ? 0.4405 0.2937 0.2007 -0.0555 0.0124  0.0415  103 ARG A CZ  
666  N NH1 . ARG A 89  ? 0.4452 0.2923 0.2147 -0.0607 0.0295  0.0165  103 ARG A NH1 
667  N NH2 . ARG A 89  ? 0.4195 0.2914 0.2074 -0.0836 0.0263  0.0495  103 ARG A NH2 
668  N N   . ILE A 90  ? 0.2050 0.2257 0.1027 0.0202  -0.0053 0.0173  104 ILE A N   
669  C CA  . ILE A 90  ? 0.1679 0.2160 0.1005 0.0091  -0.0035 0.0021  104 ILE A CA  
670  C C   . ILE A 90  ? 0.1730 0.2091 0.1107 0.0066  -0.0075 0.0081  104 ILE A C   
671  O O   . ILE A 90  ? 0.1770 0.1971 0.1488 0.0084  0.0119  0.0130  104 ILE A O   
672  C CB  . ILE A 90  ? 0.1833 0.2105 0.1009 0.0094  0.0210  -0.0077 104 ILE A CB  
673  C CG1 . ILE A 90  ? 0.2310 0.2122 0.1079 0.0138  0.0056  -0.0035 104 ILE A CG1 
674  C CG2 . ILE A 90  ? 0.1965 0.2145 0.1336 0.0143  0.0040  -0.0110 104 ILE A CG2 
675  C CD1 . ILE A 90  ? 0.2521 0.2126 0.1349 0.0059  0.0003  0.0133  104 ILE A CD1 
676  N N   . ASN A 91  ? 0.1733 0.2076 0.1048 0.0022  -0.0143 0.0218  105 ASN A N   
677  C CA  . ASN A 91  ? 0.1684 0.2130 0.0967 0.0178  -0.0097 0.0247  105 ASN A CA  
678  C C   . ASN A 91  ? 0.1692 0.2036 0.0970 0.0278  0.0021  0.0185  105 ASN A C   
679  O O   . ASN A 91  ? 0.1585 0.2141 0.1139 0.0352  0.0140  0.0173  105 ASN A O   
680  C CB  . ASN A 91  ? 0.1807 0.2458 0.1338 -0.0002 -0.0299 0.0505  105 ASN A CB  
681  C CG  . ASN A 91  ? 0.1966 0.2778 0.1750 0.0002  -0.0256 0.0769  105 ASN A CG  
682  O OD1 . ASN A 91  ? 0.2136 0.2930 0.1664 -0.0071 -0.0076 0.0830  105 ASN A OD1 
683  N ND2 . ASN A 91  ? 0.2601 0.2984 0.2101 -0.0088 -0.0504 0.0927  105 ASN A ND2 
684  N N   . THR A 92  ? 0.1709 0.1936 0.0740 0.0148  0.0212  0.0141  106 THR A N   
685  C CA  . THR A 92  ? 0.1419 0.1928 0.0730 0.0301  0.0023  0.0152  106 THR A CA  
686  C C   . THR A 92  ? 0.1449 0.1946 0.0732 0.0313  0.0190  0.0029  106 THR A C   
687  O O   . THR A 92  ? 0.1629 0.1856 0.0986 0.0338  0.0145  -0.0060 106 THR A O   
688  C CB  . THR A 92  ? 0.1042 0.2018 0.0973 0.0256  0.0061  -0.0075 106 THR A CB  
689  O OG1 . THR A 92  ? 0.1527 0.2120 0.1026 0.0208  -0.0100 0.0047  106 THR A OG1 
690  C CG2 . THR A 92  ? 0.1425 0.2088 0.1032 0.0089  0.0074  -0.0179 106 THR A CG2 
691  N N   A GLN A 93  ? 0.1382 0.2006 0.0931 0.0172  -0.0008 0.0079  107 GLN A N   
692  N N   B GLN A 93  ? 0.1164 0.2070 0.0915 0.0141  -0.0128 0.0086  107 GLN A N   
693  C CA  A GLN A 93  ? 0.1663 0.2113 0.0986 0.0151  -0.0021 0.0183  107 GLN A CA  
694  C CA  B GLN A 93  ? 0.1458 0.2208 0.0904 0.0135  -0.0082 0.0207  107 GLN A CA  
695  C C   A GLN A 93  ? 0.1223 0.2119 0.0879 0.0023  0.0116  0.0319  107 GLN A C   
696  C C   B GLN A 93  ? 0.0971 0.2136 0.0706 0.0044  -0.0057 0.0280  107 GLN A C   
697  O O   A GLN A 93  ? 0.0823 0.2022 0.1110 -0.0154 0.0370  0.0186  107 GLN A O   
698  O O   B GLN A 93  ? 0.0526 0.1978 0.0678 -0.0074 0.0029  0.0107  107 GLN A O   
699  C CB  A GLN A 93  ? 0.1648 0.2200 0.0935 0.0245  -0.0274 0.0146  107 GLN A CB  
700  C CB  B GLN A 93  ? 0.1820 0.2403 0.0929 0.0231  -0.0341 0.0236  107 GLN A CB  
701  C CG  A GLN A 93  ? 0.1492 0.2232 0.1039 0.0202  -0.0287 0.0028  107 GLN A CG  
702  C CG  B GLN A 93  ? 0.2068 0.2600 0.1120 0.0128  -0.0205 0.0169  107 GLN A CG  
703  C CD  A GLN A 93  ? 0.1387 0.2195 0.1109 0.0245  -0.0296 -0.0092 107 GLN A CD  
704  C CD  B GLN A 93  ? 0.2010 0.2690 0.1209 0.0022  -0.0083 0.0179  107 GLN A CD  
705  O OE1 A GLN A 93  ? 0.1862 0.2191 0.1363 0.0321  -0.0143 -0.0160 107 GLN A OE1 
706  O OE1 B GLN A 93  ? 0.2171 0.2783 0.1437 -0.0054 0.0009  0.0101  107 GLN A OE1 
707  N NE2 A GLN A 93  ? 0.0979 0.2187 0.1234 0.0187  -0.0184 -0.0051 107 GLN A NE2 
708  N NE2 B GLN A 93  ? 0.1733 0.2695 0.1313 0.0019  0.0006  0.0154  107 GLN A NE2 
709  N N   . TRP A 94  ? 0.0858 0.2041 0.0668 0.0003  -0.0051 0.0231  108 TRP A N   
710  C CA  . TRP A 94  ? 0.1004 0.2055 0.0685 0.0147  -0.0160 0.0178  108 TRP A CA  
711  C C   . TRP A 94  ? 0.1287 0.1958 0.0520 0.0066  -0.0018 0.0114  108 TRP A C   
712  O O   . TRP A 94  ? 0.1339 0.1843 0.0726 0.0011  -0.0093 -0.0015 108 TRP A O   
713  C CB  . TRP A 94  ? 0.0863 0.2145 0.0801 -0.0124 0.0022  0.0108  108 TRP A CB  
714  C CG  . TRP A 94  ? 0.1070 0.2110 0.0821 -0.0068 0.0239  0.0048  108 TRP A CG  
715  C CD1 . TRP A 94  ? 0.1328 0.2049 0.0722 -0.0074 0.0375  0.0108  108 TRP A CD1 
716  C CD2 . TRP A 94  ? 0.1204 0.2163 0.0801 0.0189  0.0207  0.0090  108 TRP A CD2 
717  N NE1 . TRP A 94  ? 0.1179 0.2183 0.0750 0.0092  0.0230  0.0168  108 TRP A NE1 
718  C CE2 . TRP A 94  ? 0.1120 0.2201 0.0869 0.0178  0.0088  0.0037  108 TRP A CE2 
719  C CE3 . TRP A 94  ? 0.0961 0.2190 0.1033 0.0016  -0.0108 0.0082  108 TRP A CE3 
720  C CZ2 . TRP A 94  ? 0.0987 0.2204 0.0879 0.0082  0.0166  0.0092  108 TRP A CZ2 
721  C CZ3 . TRP A 94  ? 0.1224 0.2246 0.1142 0.0051  0.0149  0.0105  108 TRP A CZ3 
722  C CH2 . TRP A 94  ? 0.0879 0.2252 0.1125 -0.0026 0.0037  0.0075  108 TRP A CH2 
723  N N   . LEU A 95  ? 0.1145 0.2108 0.0784 0.0109  -0.0009 0.0222  109 LEU A N   
724  C CA  . LEU A 95  ? 0.1052 0.2080 0.0729 -0.0050 -0.0050 0.0121  109 LEU A CA  
725  C C   . LEU A 95  ? 0.1007 0.2084 0.0913 -0.0175 -0.0165 -0.0037 109 LEU A C   
726  O O   . LEU A 95  ? 0.1209 0.2202 0.1202 0.0157  -0.0344 -0.0342 109 LEU A O   
727  C CB  . LEU A 95  ? 0.1124 0.2160 0.0789 -0.0270 0.0074  0.0118  109 LEU A CB  
728  C CG  . LEU A 95  ? 0.1442 0.2241 0.0928 -0.0124 -0.0071 0.0199  109 LEU A CG  
729  C CD1 . LEU A 95  ? 0.1277 0.2362 0.1216 -0.0308 -0.0093 0.0276  109 LEU A CD1 
730  C CD2 . LEU A 95  ? 0.1579 0.2196 0.1049 -0.0033 -0.0257 0.0086  109 LEU A CD2 
731  N N   . LEU A 96  ? 0.1084 0.2045 0.0746 0.0091  -0.0194 0.0109  110 LEU A N   
732  C CA  . LEU A 96  ? 0.1077 0.2004 0.1017 0.0026  -0.0093 0.0137  110 LEU A CA  
733  C C   . LEU A 96  ? 0.1551 0.1906 0.0574 0.0216  -0.0014 0.0031  110 LEU A C   
734  O O   . LEU A 96  ? 0.1743 0.1805 0.0679 0.0071  -0.0188 0.0023  110 LEU A O   
735  C CB  . LEU A 96  ? 0.1133 0.2288 0.0922 -0.0172 0.0110  0.0043  110 LEU A CB  
736  C CG  . LEU A 96  ? 0.1143 0.2475 0.1185 -0.0192 -0.0039 0.0058  110 LEU A CG  
737  C CD1 . LEU A 96  ? 0.1676 0.2495 0.1262 -0.0177 -0.0050 -0.0147 110 LEU A CD1 
738  C CD2 . LEU A 96  ? 0.1062 0.2596 0.1639 -0.0152 0.0140  0.0238  110 LEU A CD2 
739  N N   . THR A 97  ? 0.1281 0.2001 0.0658 0.0110  0.0084  0.0119  111 THR A N   
740  C CA  . THR A 97  ? 0.1343 0.1978 0.0649 0.0145  0.0068  0.0168  111 THR A CA  
741  C C   . THR A 97  ? 0.1602 0.2103 0.0763 0.0239  -0.0051 0.0225  111 THR A C   
742  O O   . THR A 97  ? 0.1626 0.2097 0.0913 0.0151  -0.0077 0.0083  111 THR A O   
743  C CB  . THR A 97  ? 0.1421 0.2073 0.0821 0.0045  0.0044  0.0289  111 THR A CB  
744  O OG1 . THR A 97  ? 0.1292 0.2132 0.1034 -0.0145 -0.0125 0.0137  111 THR A OG1 
745  C CG2 . THR A 97  ? 0.1864 0.2187 0.0967 0.0115  0.0146  0.0355  111 THR A CG2 
746  N N   . SER A 98  ? 0.1052 0.2154 0.0880 0.0472  -0.0109 0.0198  112 SER A N   
747  C CA  . SER A 98  ? 0.1220 0.2248 0.1130 0.0510  -0.0329 0.0289  112 SER A CA  
748  C C   . SER A 98  ? 0.1562 0.2222 0.1133 0.0302  -0.0597 0.0302  112 SER A C   
749  O O   . SER A 98  ? 0.2455 0.2245 0.1467 0.0183  -0.0538 0.0399  112 SER A O   
750  C CB  . SER A 98  ? 0.1703 0.2412 0.1444 0.0535  -0.0305 0.0255  112 SER A CB  
751  O OG  . SER A 98  ? 0.1687 0.2547 0.1409 0.0439  -0.0006 0.0181  112 SER A OG  
752  N N   . GLY A 99  ? 0.1555 0.2308 0.0981 0.0199  -0.0492 0.0319  113 GLY A N   
753  C CA  . GLY A 99  ? 0.1641 0.2503 0.1241 0.0395  -0.0476 0.0308  113 GLY A CA  
754  C C   . GLY A 99  ? 0.1104 0.2541 0.1719 0.0300  -0.0352 0.0277  113 GLY A C   
755  O O   . GLY A 99  ? 0.1130 0.2648 0.2422 0.0343  -0.0243 0.0300  113 GLY A O   
756  N N   . THR A 100 ? 0.1814 0.2513 0.1580 0.0247  -0.0256 0.0365  114 THR A N   
757  C CA  . THR A 100 ? 0.1789 0.2513 0.1458 0.0128  -0.0280 0.0364  114 THR A CA  
758  C C   . THR A 100 ? 0.1837 0.2527 0.1393 0.0102  -0.0313 0.0395  114 THR A C   
759  O O   . THR A 100 ? 0.1878 0.2616 0.1381 0.0014  -0.0339 0.0357  114 THR A O   
760  C CB  . THR A 100 ? 0.1594 0.2512 0.1379 0.0117  -0.0451 0.0475  114 THR A CB  
761  O OG1 . THR A 100 ? 0.1798 0.2504 0.1475 0.0171  -0.0275 0.0239  114 THR A OG1 
762  C CG2 . THR A 100 ? 0.1913 0.2532 0.1492 0.0136  -0.0233 0.0584  114 THR A CG2 
763  N N   . THR A 101 ? 0.2054 0.2521 0.1543 0.0066  -0.0239 0.0392  115 THR A N   
764  C CA  . THR A 101 ? 0.2242 0.2531 0.1516 0.0158  -0.0329 0.0362  115 THR A CA  
765  C C   . THR A 101 ? 0.2013 0.2475 0.1243 0.0271  -0.0038 0.0380  115 THR A C   
766  O O   . THR A 101 ? 0.2009 0.2490 0.1256 0.0345  -0.0178 0.0452  115 THR A O   
767  C CB  . THR A 101 ? 0.2110 0.2598 0.1826 0.0089  -0.0610 0.0277  115 THR A CB  
768  O OG1 . THR A 101 ? 0.2346 0.2546 0.1648 0.0164  -0.0348 0.0334  115 THR A OG1 
769  C CG2 . THR A 101 ? 0.2050 0.2669 0.2272 -0.0014 -0.0622 0.0355  115 THR A CG2 
770  N N   . GLU A 102 ? 0.2192 0.2489 0.1535 0.0121  0.0007  0.0480  116 GLU A N   
771  C CA  . GLU A 102 ? 0.2219 0.2588 0.1684 0.0059  -0.0090 0.0577  116 GLU A CA  
772  C C   . GLU A 102 ? 0.2460 0.2582 0.1513 0.0145  -0.0207 0.0585  116 GLU A C   
773  O O   . GLU A 102 ? 0.2090 0.2589 0.2149 0.0133  -0.0224 0.0594  116 GLU A O   
774  C CB  . GLU A 102 ? 0.2609 0.2680 0.2023 -0.0118 -0.0087 0.0560  116 GLU A CB  
775  C CG  . GLU A 102 ? 0.2947 0.2839 0.2585 -0.0072 0.0262  0.0496  116 GLU A CG  
776  C CD  . GLU A 102 ? 0.3536 0.2968 0.3152 0.0046  0.0502  0.0386  116 GLU A CD  
777  O OE1 . GLU A 102 ? 0.3628 0.3002 0.3424 0.0118  0.0593  0.0297  116 GLU A OE1 
778  O OE2 . GLU A 102 ? 0.3941 0.3053 0.3409 0.0168  0.0468  0.0348  116 GLU A OE2 
779  N N   . ALA A 103 ? 0.2655 0.2596 0.1394 0.0118  -0.0398 0.0483  117 ALA A N   
780  C CA  . ALA A 103 ? 0.2840 0.2559 0.1527 0.0290  -0.0287 0.0360  117 ALA A CA  
781  C C   . ALA A 103 ? 0.2742 0.2491 0.1337 0.0443  -0.0348 0.0309  117 ALA A C   
782  O O   . ALA A 103 ? 0.3240 0.2436 0.1528 0.0454  -0.0450 0.0200  117 ALA A O   
783  C CB  . ALA A 103 ? 0.2912 0.2588 0.1627 0.0316  -0.0244 0.0405  117 ALA A CB  
784  N N   . ASN A 104 ? 0.2441 0.2453 0.1292 0.0565  -0.0151 0.0301  118 ASN A N   
785  C CA  . ASN A 104 ? 0.2041 0.2495 0.1275 0.0440  -0.0279 0.0323  118 ASN A CA  
786  C C   . ASN A 104 ? 0.1901 0.2501 0.1013 0.0252  -0.0294 0.0189  118 ASN A C   
787  O O   . ASN A 104 ? 0.1938 0.2476 0.1258 0.0095  -0.0157 0.0134  118 ASN A O   
788  C CB  . ASN A 104 ? 0.2044 0.2605 0.1714 0.0576  -0.0159 0.0297  118 ASN A CB  
789  C CG  . ASN A 104 ? 0.2520 0.2674 0.1780 0.0650  0.0004  0.0231  118 ASN A CG  
790  O OD1 . ASN A 104 ? 0.2780 0.2794 0.2138 0.0728  -0.0024 0.0029  118 ASN A OD1 
791  N ND2 . ASN A 104 ? 0.2304 0.2711 0.1904 0.0538  0.0129  0.0314  118 ASN A ND2 
792  N N   . ALA A 105 ? 0.1943 0.2519 0.1176 0.0357  -0.0298 0.0145  119 ALA A N   
793  C CA  . ALA A 105 ? 0.1674 0.2592 0.1384 0.0286  -0.0098 0.0060  119 ALA A CA  
794  C C   . ALA A 105 ? 0.1620 0.2485 0.1444 0.0369  -0.0433 0.0031  119 ALA A C   
795  O O   . ALA A 105 ? 0.1632 0.2423 0.1696 0.0286  -0.0436 0.0021  119 ALA A O   
796  C CB  . ALA A 105 ? 0.1323 0.2763 0.1552 0.0191  0.0092  0.0174  119 ALA A CB  
797  N N   . TRP A 106 ? 0.1961 0.2451 0.1519 0.0225  -0.0709 0.0135  120 TRP A N   
798  C CA  . TRP A 106 ? 0.2364 0.2426 0.1578 0.0308  -0.0490 -0.0041 120 TRP A CA  
799  C C   . TRP A 106 ? 0.2493 0.2294 0.1461 0.0436  -0.0456 0.0080  120 TRP A C   
800  O O   . TRP A 106 ? 0.2746 0.2313 0.1653 0.0237  -0.0785 0.0093  120 TRP A O   
801  C CB  . TRP A 106 ? 0.2501 0.2512 0.1855 0.0259  -0.0376 -0.0196 120 TRP A CB  
802  C CG  . TRP A 106 ? 0.2790 0.2567 0.1738 0.0364  -0.0233 -0.0171 120 TRP A CG  
803  C CD1 . TRP A 106 ? 0.2672 0.2564 0.1923 0.0426  -0.0316 -0.0014 120 TRP A CD1 
804  C CD2 . TRP A 106 ? 0.2931 0.2604 0.1561 0.0530  -0.0199 -0.0161 120 TRP A CD2 
805  N NE1 . TRP A 106 ? 0.2764 0.2602 0.1753 0.0463  -0.0242 -0.0024 120 TRP A NE1 
806  C CE2 . TRP A 106 ? 0.3094 0.2618 0.1617 0.0570  -0.0044 -0.0208 120 TRP A CE2 
807  C CE3 . TRP A 106 ? 0.3414 0.2630 0.1759 0.0670  -0.0044 -0.0130 120 TRP A CE3 
808  C CZ2 . TRP A 106 ? 0.3563 0.2644 0.1650 0.0519  0.0264  -0.0154 120 TRP A CZ2 
809  C CZ3 . TRP A 106 ? 0.3383 0.2673 0.1898 0.0666  -0.0033 -0.0094 120 TRP A CZ3 
810  C CH2 . TRP A 106 ? 0.3690 0.2700 0.1911 0.0563  0.0056  -0.0152 120 TRP A CH2 
811  N N   . LYS A 107 ? 0.2425 0.2278 0.1353 0.0574  -0.0080 0.0030  121 LYS A N   
812  C CA  . LYS A 107 ? 0.2489 0.2358 0.1369 0.0505  0.0055  -0.0049 121 LYS A CA  
813  C C   . LYS A 107 ? 0.2027 0.2395 0.1256 0.0354  -0.0213 0.0008  121 LYS A C   
814  O O   . LYS A 107 ? 0.1768 0.2471 0.1512 0.0346  0.0175  0.0033  121 LYS A O   
815  C CB  . LYS A 107 ? 0.2732 0.2514 0.1657 0.0811  0.0168  -0.0001 121 LYS A CB  
816  C CG  . LYS A 107 ? 0.2509 0.2645 0.1981 0.0970  0.0188  0.0197  121 LYS A CG  
817  C CD  . LYS A 107 ? 0.2838 0.2795 0.2414 0.1004  0.0422  0.0424  121 LYS A CD  
818  C CE  . LYS A 107 ? 0.2916 0.2918 0.2962 0.0965  0.0632  0.0548  121 LYS A CE  
819  N NZ  . LYS A 107 ? 0.3147 0.3020 0.3331 0.0905  0.0640  0.0577  121 LYS A NZ  
820  N N   . SER A 108 ? 0.1801 0.2298 0.0842 0.0164  -0.0522 0.0033  122 SER A N   
821  C CA  . SER A 108 ? 0.1467 0.2255 0.0834 0.0206  -0.0342 0.0126  122 SER A CA  
822  C C   . SER A 108 ? 0.0787 0.2180 0.1170 0.0186  -0.0142 0.0050  122 SER A C   
823  O O   . SER A 108 ? 0.1035 0.2112 0.1269 0.0051  -0.0249 0.0155  122 SER A O   
824  C CB  . SER A 108 ? 0.1963 0.2272 0.0787 -0.0001 -0.0217 -0.0086 122 SER A CB  
825  O OG  . SER A 108 ? 0.2049 0.2305 0.1268 -0.0165 0.0124  -0.0095 122 SER A OG  
826  N N   . THR A 109 ? 0.1018 0.2157 0.0862 0.0217  -0.0031 0.0074  123 THR A N   
827  C CA  . THR A 109 ? 0.0933 0.2047 0.0820 0.0183  -0.0077 0.0128  123 THR A CA  
828  C C   . THR A 109 ? 0.1177 0.2002 0.0817 0.0000  0.0088  -0.0017 123 THR A C   
829  O O   . THR A 109 ? 0.1392 0.2015 0.0986 -0.0210 0.0009  -0.0134 123 THR A O   
830  C CB  . THR A 109 ? 0.1182 0.2049 0.1013 0.0149  0.0051  0.0226  123 THR A CB  
831  O OG1 . THR A 109 ? 0.1442 0.2106 0.0918 0.0103  0.0053  0.0121  123 THR A OG1 
832  C CG2 . THR A 109 ? 0.1291 0.2001 0.1211 0.0229  0.0195  0.0450  123 THR A CG2 
833  N N   . LEU A 110 ? 0.1440 0.1886 0.0779 0.0051  -0.0042 0.0224  124 LEU A N   
834  C CA  . LEU A 110 ? 0.1567 0.1794 0.0905 0.0092  0.0088  0.0263  124 LEU A CA  
835  C C   . LEU A 110 ? 0.1586 0.1754 0.0783 0.0157  -0.0164 0.0116  124 LEU A C   
836  O O   . LEU A 110 ? 0.1307 0.1702 0.0884 0.0104  -0.0163 -0.0172 124 LEU A O   
837  C CB  . LEU A 110 ? 0.1629 0.1942 0.1037 0.0035  0.0014  0.0206  124 LEU A CB  
838  C CG  . LEU A 110 ? 0.1467 0.2071 0.1145 -0.0051 -0.0201 -0.0114 124 LEU A CG  
839  C CD1 . LEU A 110 ? 0.1713 0.2172 0.1244 -0.0178 -0.0255 -0.0313 124 LEU A CD1 
840  C CD2 . LEU A 110 ? 0.1618 0.2136 0.1208 0.0026  -0.0187 -0.0047 124 LEU A CD2 
841  N N   . VAL A 111 ? 0.1573 0.1946 0.0737 0.0243  -0.0016 0.0155  125 VAL A N   
842  C CA  . VAL A 111 ? 0.1070 0.2047 0.0685 0.0120  -0.0097 0.0042  125 VAL A CA  
843  C C   . VAL A 111 ? 0.1096 0.2022 0.0673 0.0084  -0.0095 0.0126  125 VAL A C   
844  O O   . VAL A 111 ? 0.1159 0.2032 0.0865 0.0176  -0.0028 0.0097  125 VAL A O   
845  C CB  . VAL A 111 ? 0.1190 0.2153 0.0871 0.0038  -0.0184 -0.0155 125 VAL A CB  
846  C CG1 . VAL A 111 ? 0.1545 0.2118 0.0884 0.0043  -0.0105 -0.0439 125 VAL A CG1 
847  C CG2 . VAL A 111 ? 0.1265 0.2244 0.0781 0.0118  -0.0141 -0.0115 125 VAL A CG2 
848  N N   . GLY A 112 ? 0.1149 0.1891 0.0857 0.0061  -0.0105 0.0211  126 GLY A N   
849  C CA  . GLY A 112 ? 0.1313 0.1795 0.0876 -0.0041 0.0137  0.0273  126 GLY A CA  
850  C C   . GLY A 112 ? 0.1237 0.1920 0.0796 0.0125  0.0167  0.0195  126 GLY A C   
851  O O   . GLY A 112 ? 0.1385 0.1976 0.0814 0.0257  0.0142  0.0032  126 GLY A O   
852  N N   . HIS A 113 ? 0.1460 0.2072 0.1082 0.0002  0.0043  0.0314  127 HIS A N   
853  C CA  . HIS A 113 ? 0.1704 0.2247 0.1056 -0.0086 -0.0024 0.0168  127 HIS A CA  
854  C C   . HIS A 113 ? 0.1433 0.2068 0.1007 -0.0003 0.0089  0.0164  127 HIS A C   
855  O O   . HIS A 113 ? 0.1784 0.2123 0.1258 -0.0036 0.0367  0.0136  127 HIS A O   
856  C CB  . HIS A 113 ? 0.1735 0.2559 0.0804 -0.0108 0.0027  -0.0129 127 HIS A CB  
857  C CG  . HIS A 113 ? 0.1833 0.2892 0.0876 -0.0294 -0.0143 -0.0219 127 HIS A CG  
858  N ND1 . HIS A 113 ? 0.2180 0.3025 0.0887 -0.0602 0.0035  -0.0250 127 HIS A ND1 
859  C CD2 . HIS A 113 ? 0.1693 0.3009 0.0977 -0.0162 -0.0062 -0.0244 127 HIS A CD2 
860  C CE1 . HIS A 113 ? 0.2189 0.3127 0.1120 -0.0437 0.0012  -0.0319 127 HIS A CE1 
861  N NE2 . HIS A 113 ? 0.1973 0.3120 0.1157 -0.0396 -0.0113 -0.0316 127 HIS A NE2 
862  N N   . ASP A 114 ? 0.1497 0.1978 0.0854 0.0093  0.0060  0.0231  128 ASP A N   
863  C CA  . ASP A 114 ? 0.1529 0.1977 0.1121 -0.0036 -0.0007 0.0189  128 ASP A CA  
864  C C   . ASP A 114 ? 0.1603 0.1928 0.0988 -0.0129 0.0130  0.0316  128 ASP A C   
865  O O   . ASP A 114 ? 0.1614 0.1926 0.1295 0.0133  0.0141  0.0407  128 ASP A O   
866  C CB  . ASP A 114 ? 0.1377 0.2046 0.1011 -0.0034 -0.0034 0.0104  128 ASP A CB  
867  C CG  . ASP A 114 ? 0.1566 0.2153 0.1115 -0.0109 0.0238  0.0260  128 ASP A CG  
868  O OD1 . ASP A 114 ? 0.1381 0.2211 0.1154 0.0042  0.0139  0.0321  128 ASP A OD1 
869  O OD2 . ASP A 114 ? 0.1761 0.2136 0.1130 -0.0121 0.0206  0.0305  128 ASP A OD2 
870  N N   A THR A 115 ? 0.1561 0.1988 0.0810 0.0011  -0.0248 0.0205  129 THR A N   
871  N N   B THR A 115 ? 0.1813 0.1969 0.1030 -0.0083 0.0193  0.0284  129 THR A N   
872  C CA  A THR A 115 ? 0.1777 0.2150 0.1119 0.0139  0.0051  0.0302  129 THR A CA  
873  C CA  B THR A 115 ? 0.1942 0.2022 0.1178 -0.0046 0.0156  0.0215  129 THR A CA  
874  C C   A THR A 115 ? 0.1374 0.2002 0.1132 -0.0043 0.0181  0.0254  129 THR A C   
875  C C   B THR A 115 ? 0.1830 0.2044 0.1169 0.0012  0.0020  0.0165  129 THR A C   
876  O O   A THR A 115 ? 0.1810 0.1899 0.1427 -0.0239 0.0180  0.0145  129 THR A O   
877  O O   B THR A 115 ? 0.1972 0.2090 0.1269 -0.0004 -0.0039 0.0121  129 THR A O   
878  C CB  A THR A 115 ? 0.2058 0.2342 0.1297 0.0301  0.0022  0.0237  129 THR A CB  
879  C CB  B THR A 115 ? 0.2022 0.2056 0.1366 -0.0112 0.0132  0.0167  129 THR A CB  
880  O OG1 A THR A 115 ? 0.2661 0.2523 0.1327 0.0241  -0.0203 0.0158  129 THR A OG1 
881  O OG1 B THR A 115 ? 0.2086 0.2069 0.1506 -0.0201 0.0232  0.0117  129 THR A OG1 
882  C CG2 A THR A 115 ? 0.2209 0.2420 0.1178 0.0346  0.0002  0.0140  129 THR A CG2 
883  C CG2 B THR A 115 ? 0.2116 0.2085 0.1428 -0.0111 0.0090  0.0126  129 THR A CG2 
884  N N   . PHE A 116 ? 0.1706 0.2018 0.1102 0.0110  -0.0079 0.0136  130 PHE A N   
885  C CA  . PHE A 116 ? 0.2021 0.2146 0.1018 0.0120  0.0065  0.0016  130 PHE A CA  
886  C C   . PHE A 116 ? 0.2062 0.2119 0.1019 -0.0015 0.0011  0.0121  130 PHE A C   
887  O O   . PHE A 116 ? 0.2326 0.2049 0.1220 0.0128  -0.0053 0.0228  130 PHE A O   
888  C CB  . PHE A 116 ? 0.2053 0.2305 0.1037 0.0197  0.0018  -0.0049 130 PHE A CB  
889  C CG  . PHE A 116 ? 0.1781 0.2370 0.0811 0.0081  -0.0010 0.0021  130 PHE A CG  
890  C CD1 . PHE A 116 ? 0.1515 0.2379 0.0970 0.0129  0.0163  0.0044  130 PHE A CD1 
891  C CD2 . PHE A 116 ? 0.1546 0.2341 0.0622 0.0226  0.0000  0.0080  130 PHE A CD2 
892  C CE1 . PHE A 116 ? 0.1247 0.2416 0.0908 0.0151  0.0114  0.0022  130 PHE A CE1 
893  C CE2 . PHE A 116 ? 0.1809 0.2444 0.0785 0.0124  0.0134  0.0003  130 PHE A CE2 
894  C CZ  . PHE A 116 ? 0.1369 0.2418 0.0797 0.0048  0.0209  -0.0036 130 PHE A CZ  
895  N N   . THR A 117 ? 0.2230 0.2244 0.1126 -0.0292 -0.0016 0.0131  131 THR A N   
896  C CA  . THR A 117 ? 0.2642 0.2471 0.1310 -0.0274 -0.0183 0.0263  131 THR A CA  
897  C C   . THR A 117 ? 0.2891 0.2319 0.1561 -0.0086 -0.0009 0.0165  131 THR A C   
898  O O   . THR A 117 ? 0.2728 0.2139 0.1123 0.0000  -0.0003 0.0177  131 THR A O   
899  C CB  . THR A 117 ? 0.2883 0.2971 0.1538 -0.0559 0.0014  0.0200  131 THR A CB  
900  O OG1 . THR A 117 ? 0.2944 0.3263 0.1904 -0.0694 -0.0055 -0.0019 131 THR A OG1 
901  C CG2 . THR A 117 ? 0.2939 0.3095 0.1266 -0.0635 -0.0131 0.0260  131 THR A CG2 
902  N N   . LYS A 118 ? 0.3535 0.2418 0.1860 -0.0183 -0.0207 0.0160  132 LYS A N   
903  C CA  . LYS A 118 ? 0.3995 0.2523 0.2018 -0.0200 -0.0078 0.0239  132 LYS A CA  
904  C C   . LYS A 118 ? 0.4416 0.2646 0.1757 -0.0569 0.0055  0.0446  132 LYS A C   
905  O O   . LYS A 118 ? 0.4596 0.2636 0.1901 -0.0679 0.0011  0.0594  132 LYS A O   
906  C CB  . LYS A 118 ? 0.4125 0.2570 0.2366 0.0102  -0.0102 0.0279  132 LYS A CB  
907  C CG  . LYS A 118 ? 0.4160 0.2628 0.2696 0.0366  -0.0153 0.0187  132 LYS A CG  
908  C CD  . LYS A 118 ? 0.4301 0.2691 0.2984 0.0466  0.0124  0.0031  132 LYS A CD  
909  C CE  . LYS A 118 ? 0.4535 0.2733 0.3372 0.0586  0.0128  -0.0154 132 LYS A CE  
910  N NZ  . LYS A 118 ? 0.4686 0.2771 0.3671 0.0617  0.0208  -0.0245 132 LYS A NZ  
911  N N   . VAL A 119 ? 0.4419 0.2870 0.1671 -0.0842 0.0544  0.0437  133 VAL A N   
912  C CA  . VAL A 119 ? 0.4798 0.3085 0.1728 -0.1002 0.0719  0.0364  133 VAL A CA  
913  C C   . VAL A 119 ? 0.4588 0.3180 0.1950 -0.1256 0.1072  0.0061  133 VAL A C   
914  O O   . VAL A 119 ? 0.4517 0.3229 0.2315 -0.1540 0.1143  -0.0177 133 VAL A O   
915  C CB  . VAL A 119 ? 0.5459 0.3221 0.2144 -0.0785 0.0480  0.0492  133 VAL A CB  
916  C CG1 . VAL A 119 ? 0.5649 0.3298 0.2403 -0.0826 0.0493  0.0425  133 VAL A CG1 
917  C CG2 . VAL A 119 ? 0.5529 0.3279 0.2298 -0.0622 0.0270  0.0522  133 VAL A CG2 
918  N N   . LYS A 120 ? 0.4781 0.3262 0.2024 -0.1262 0.1154  0.0029  134 LYS A N   
919  C CA  . LYS A 120 ? 0.4622 0.3353 0.2228 -0.1278 0.1275  -0.0154 134 LYS A CA  
920  C C   . LYS A 120 ? 0.4958 0.3437 0.2361 -0.1351 0.1495  -0.0251 134 LYS A C   
921  O O   . LYS A 120 ? 0.5109 0.3465 0.2380 -0.1336 0.1470  -0.0079 134 LYS A O   
922  C CB  . LYS A 120 ? 0.4316 0.3436 0.2739 -0.1166 0.1217  -0.0065 134 LYS A CB  
923  C CG  . LYS A 120 ? 0.4145 0.3527 0.3071 -0.1067 0.1049  -0.0049 134 LYS A CG  
924  C CD  . LYS A 120 ? 0.4310 0.3598 0.3320 -0.1022 0.0815  0.0062  134 LYS A CD  
925  C CE  . LYS A 120 ? 0.4634 0.3686 0.3598 -0.1035 0.0373  0.0034  134 LYS A CE  
926  N NZ  . LYS A 120 ? 0.5037 0.3743 0.3753 -0.0970 0.0049  -0.0060 134 LYS A NZ  
927  N N   . PRO A 121 ? 0.5487 0.3445 0.2422 -0.1423 0.1581  -0.0363 135 PRO A N   
928  C CA  . PRO A 121 ? 0.5858 0.3559 0.2905 -0.1242 0.1559  -0.0488 135 PRO A CA  
929  C C   . PRO A 121 ? 0.6165 0.3752 0.3477 -0.0839 0.1717  -0.0541 135 PRO A C   
930  O O   . PRO A 121 ? 0.6217 0.3806 0.3716 -0.0582 0.1786  -0.0623 135 PRO A O   
931  C CB  . PRO A 121 ? 0.6017 0.3505 0.2886 -0.1403 0.1225  -0.0581 135 PRO A CB  
932  C CG  . PRO A 121 ? 0.6002 0.3486 0.2749 -0.1431 0.1258  -0.0597 135 PRO A CG  
933  C CD  . PRO A 121 ? 0.5771 0.3436 0.2592 -0.1484 0.1401  -0.0538 135 PRO A CD  
934  O OXT . PRO A 121 ? 0.6253 0.3858 0.3932 -0.0928 0.1982  -0.0431 135 PRO A OXT 
935  N N   . GLY B 2   ? 0.2090 0.3118 0.3311 0.0214  0.0423  -0.0408 16  GLY B N   
936  C CA  . GLY B 2   ? 0.2319 0.3060 0.2934 0.0050  0.0415  -0.0268 16  GLY B CA  
937  C C   . GLY B 2   ? 0.1917 0.2939 0.2248 -0.0095 0.0400  -0.0002 16  GLY B C   
938  O O   . GLY B 2   ? 0.2267 0.2934 0.2018 -0.0275 0.0466  0.0052  16  GLY B O   
939  N N   . ILE B 3   ? 0.1424 0.2849 0.1982 0.0045  0.0106  0.0216  17  ILE B N   
940  C CA  . ILE B 3   ? 0.1000 0.2754 0.1649 0.0118  -0.0088 0.0306  17  ILE B CA  
941  C C   . ILE B 3   ? 0.1580 0.2666 0.1394 0.0115  0.0207  0.0240  17  ILE B C   
942  O O   . ILE B 3   ? 0.1364 0.2734 0.1298 0.0045  0.0148  0.0211  17  ILE B O   
943  C CB  . ILE B 3   ? 0.1011 0.2834 0.1588 0.0063  -0.0334 0.0234  17  ILE B CB  
944  C CG1 . ILE B 3   ? 0.1776 0.2899 0.1674 0.0034  -0.0424 0.0230  17  ILE B CG1 
945  C CG2 . ILE B 3   ? 0.1218 0.2859 0.1363 0.0194  -0.0226 0.0074  17  ILE B CG2 
946  C CD1 . ILE B 3   ? 0.2078 0.2939 0.1497 0.0046  -0.0678 0.0367  17  ILE B CD1 
947  N N   . THR B 4   ? 0.1535 0.2543 0.1233 0.0077  0.0142  0.0152  18  THR B N   
948  C CA  . THR B 4   ? 0.1749 0.2451 0.1039 0.0211  -0.0053 0.0075  18  THR B CA  
949  C C   . THR B 4   ? 0.1461 0.2520 0.1140 0.0268  0.0526  0.0176  18  THR B C   
950  O O   . THR B 4   ? 0.1616 0.2652 0.1348 0.0154  0.0252  0.0285  18  THR B O   
951  C CB  . THR B 4   ? 0.1772 0.2390 0.0990 0.0228  0.0138  0.0034  18  THR B CB  
952  O OG1 . THR B 4   ? 0.1935 0.2372 0.1044 0.0212  0.0319  0.0191  18  THR B OG1 
953  C CG2 . THR B 4   ? 0.1708 0.2443 0.1096 0.0144  0.0087  0.0132  18  THR B CG2 
954  N N   . GLY B 5   ? 0.1636 0.2484 0.0975 0.0465  0.0324  0.0194  19  GLY B N   
955  C CA  . GLY B 5   ? 0.1523 0.2474 0.0893 0.0364  0.0322  0.0057  19  GLY B CA  
956  C C   . GLY B 5   ? 0.1137 0.2488 0.0729 0.0235  0.0192  0.0011  19  GLY B C   
957  O O   . GLY B 5   ? 0.1208 0.2497 0.0993 0.0187  0.0162  0.0089  19  GLY B O   
958  N N   . THR B 6   ? 0.1191 0.2512 0.0920 0.0108  -0.0021 0.0256  20  THR B N   
959  C CA  . THR B 6   ? 0.1775 0.2556 0.0684 0.0034  0.0112  0.0158  20  THR B CA  
960  C C   . THR B 6   ? 0.1285 0.2604 0.0936 -0.0198 0.0034  0.0030  20  THR B C   
961  O O   . THR B 6   ? 0.1892 0.2630 0.1080 -0.0160 0.0349  0.0269  20  THR B O   
962  C CB  . THR B 6   ? 0.1981 0.2637 0.0949 0.0176  -0.0146 0.0040  20  THR B CB  
963  O OG1 . THR B 6   ? 0.2407 0.2719 0.0963 0.0237  -0.0465 -0.0007 20  THR B OG1 
964  C CG2 . THR B 6   ? 0.1597 0.2679 0.1347 0.0207  -0.0100 -0.0146 20  THR B CG2 
965  N N   . TRP B 7   ? 0.1170 0.2604 0.0675 -0.0103 0.0044  -0.0038 21  TRP B N   
966  C CA  . TRP B 7   ? 0.1550 0.2516 0.0998 -0.0033 0.0159  0.0119  21  TRP B CA  
967  C C   . TRP B 7   ? 0.1171 0.2490 0.1146 -0.0043 0.0049  0.0039  21  TRP B C   
968  O O   . TRP B 7   ? 0.1436 0.2380 0.1219 0.0048  0.0015  0.0061  21  TRP B O   
969  C CB  . TRP B 7   ? 0.1562 0.2482 0.0990 0.0239  0.0061  0.0236  21  TRP B CB  
970  C CG  . TRP B 7   ? 0.1281 0.2512 0.0815 0.0267  -0.0075 -0.0007 21  TRP B CG  
971  C CD1 . TRP B 7   ? 0.1140 0.2508 0.0875 0.0107  -0.0004 -0.0017 21  TRP B CD1 
972  C CD2 . TRP B 7   ? 0.1182 0.2582 0.0748 0.0049  -0.0077 -0.0041 21  TRP B CD2 
973  N NE1 . TRP B 7   ? 0.1238 0.2521 0.1047 -0.0070 0.0077  0.0012  21  TRP B NE1 
974  C CE2 . TRP B 7   ? 0.1094 0.2599 0.0794 0.0052  -0.0042 0.0052  21  TRP B CE2 
975  C CE3 . TRP B 7   ? 0.1512 0.2630 0.0989 -0.0029 -0.0090 -0.0069 21  TRP B CE3 
976  C CZ2 . TRP B 7   ? 0.1278 0.2688 0.0990 0.0066  -0.0112 0.0167  21  TRP B CZ2 
977  C CZ3 . TRP B 7   ? 0.1204 0.2688 0.1020 0.0105  0.0015  0.0014  21  TRP B CZ3 
978  C CH2 . TRP B 7   ? 0.1079 0.2755 0.1244 0.0092  -0.0026 0.0134  21  TRP B CH2 
979  N N   . TYR B 8   ? 0.1413 0.2562 0.0957 0.0002  0.0093  0.0032  22  TYR B N   
980  C CA  . TYR B 8   ? 0.1741 0.2646 0.1014 0.0060  0.0055  0.0127  22  TYR B CA  
981  C C   . TYR B 8   ? 0.1458 0.2743 0.1098 0.0073  0.0124  0.0107  22  TYR B C   
982  O O   . TYR B 8   ? 0.1338 0.2636 0.1286 0.0228  -0.0109 0.0178  22  TYR B O   
983  C CB  . TYR B 8   ? 0.1787 0.2715 0.1013 -0.0001 0.0205  0.0158  22  TYR B CB  
984  C CG  . TYR B 8   ? 0.1687 0.2688 0.1049 0.0035  -0.0056 0.0149  22  TYR B CG  
985  C CD1 . TYR B 8   ? 0.1805 0.2730 0.1399 0.0167  -0.0166 0.0166  22  TYR B CD1 
986  C CD2 . TYR B 8   ? 0.2292 0.2698 0.1072 -0.0125 0.0293  0.0073  22  TYR B CD2 
987  C CE1 . TYR B 8   ? 0.1917 0.2751 0.1232 0.0094  -0.0165 0.0164  22  TYR B CE1 
988  C CE2 . TYR B 8   ? 0.2044 0.2708 0.1193 -0.0073 -0.0168 0.0006  22  TYR B CE2 
989  C CZ  . TYR B 8   ? 0.1826 0.2739 0.1002 0.0033  -0.0418 0.0122  22  TYR B CZ  
990  O OH  . TYR B 8   ? 0.2053 0.2796 0.1118 -0.0043 -0.0272 0.0011  22  TYR B OH  
991  N N   . ASN B 9   ? 0.1332 0.2999 0.1296 0.0003  0.0123  -0.0121 23  ASN B N   
992  C CA  . ASN B 9   ? 0.1726 0.3228 0.1551 0.0017  0.0107  -0.0068 23  ASN B CA  
993  C C   . ASN B 9   ? 0.2217 0.3266 0.1903 0.0047  0.0120  -0.0140 23  ASN B C   
994  O O   . ASN B 9   ? 0.2709 0.3285 0.1991 0.0024  -0.0080 -0.0151 23  ASN B O   
995  C CB  . ASN B 9   ? 0.1966 0.3457 0.1556 0.0171  0.0007  -0.0142 23  ASN B CB  
996  C CG  . ASN B 9   ? 0.1768 0.3660 0.1991 0.0039  0.0123  -0.0479 23  ASN B CG  
997  O OD1 . ASN B 9   ? 0.1585 0.3716 0.2479 0.0190  0.0406  -0.0520 23  ASN B OD1 
998  N ND2 . ASN B 9   ? 0.1858 0.3858 0.2372 0.0058  0.0195  -0.0448 23  ASN B ND2 
999  N N   . GLN B 10  ? 0.2655 0.3236 0.1927 0.0218  -0.0017 -0.0227 24  GLN B N   
1000 C CA  . GLN B 10  ? 0.3149 0.3305 0.2554 0.0310  -0.0090 -0.0327 24  GLN B CA  
1001 C C   . GLN B 10  ? 0.3467 0.3328 0.3485 0.0486  0.0000  -0.0452 24  GLN B C   
1002 O O   . GLN B 10  ? 0.3761 0.3335 0.3977 0.0519  -0.0039 -0.0391 24  GLN B O   
1003 C CB  . GLN B 10  ? 0.3358 0.3256 0.2230 0.0235  0.0025  -0.0487 24  GLN B CB  
1004 C CG  . GLN B 10  ? 0.3162 0.3171 0.2016 0.0245  0.0007  -0.0342 24  GLN B CG  
1005 C CD  . GLN B 10  ? 0.3008 0.3077 0.1746 0.0216  0.0080  -0.0187 24  GLN B CD  
1006 O OE1 . GLN B 10  ? 0.2638 0.2914 0.1306 0.0363  -0.0086 -0.0096 24  GLN B OE1 
1007 N NE2 . GLN B 10  ? 0.3058 0.3129 0.1902 0.0211  0.0158  -0.0175 24  GLN B NE2 
1008 N N   . LEU B 11  ? 0.3520 0.3335 0.3715 0.0508  -0.0086 -0.0593 25  LEU B N   
1009 C CA  . LEU B 11  ? 0.3623 0.3360 0.3754 0.0602  -0.0160 -0.0490 25  LEU B CA  
1010 C C   . LEU B 11  ? 0.3592 0.3391 0.3801 0.0646  -0.0220 -0.0426 25  LEU B C   
1011 O O   . LEU B 11  ? 0.3679 0.3472 0.3880 0.0745  -0.0427 -0.0516 25  LEU B O   
1012 C CB  . LEU B 11  ? 0.4027 0.3406 0.3882 0.0509  -0.0009 -0.0381 25  LEU B CB  
1013 C CG  . LEU B 11  ? 0.4482 0.3450 0.3997 0.0393  0.0125  -0.0251 25  LEU B CG  
1014 C CD1 . LEU B 11  ? 0.4802 0.3466 0.4134 0.0360  0.0293  -0.0154 25  LEU B CD1 
1015 C CD2 . LEU B 11  ? 0.4648 0.3461 0.4087 0.0326  0.0143  -0.0239 25  LEU B CD2 
1016 N N   . GLY B 12  ? 0.3499 0.3337 0.3503 0.0493  -0.0161 -0.0260 26  GLY B N   
1017 C CA  . GLY B 12  ? 0.3467 0.3343 0.3359 0.0353  -0.0329 -0.0143 26  GLY B CA  
1018 C C   . GLY B 12  ? 0.3296 0.3334 0.2968 0.0362  -0.0446 -0.0046 26  GLY B C   
1019 O O   . GLY B 12  ? 0.3720 0.3393 0.3304 0.0505  -0.0611 0.0086  26  GLY B O   
1020 N N   . SER B 13  ? 0.2263 0.3256 0.2299 0.0420  0.0156  0.0078  27  SER B N   
1021 C CA  . SER B 13  ? 0.1600 0.3308 0.1929 0.0318  0.0384  0.0173  27  SER B CA  
1022 C C   . SER B 13  ? 0.1026 0.3338 0.1813 0.0294  0.0293  0.0082  27  SER B C   
1023 O O   . SER B 13  ? 0.1246 0.3462 0.1710 0.0094  0.0172  0.0022  27  SER B O   
1024 C CB  . SER B 13  ? 0.1748 0.3322 0.1981 0.0370  0.0927  0.0257  27  SER B CB  
1025 O OG  . SER B 13  ? 0.2704 0.3430 0.2192 0.0402  0.0912  0.0042  27  SER B OG  
1026 N N   . THR B 14  ? 0.1097 0.3272 0.1569 0.0305  0.0072  0.0132  28  THR B N   
1027 C CA  . THR B 14  ? 0.1184 0.3202 0.1478 0.0439  0.0274  0.0170  28  THR B CA  
1028 C C   . THR B 14  ? 0.0806 0.2916 0.1633 0.0219  0.0167  -0.0020 28  THR B C   
1029 O O   . THR B 14  ? 0.1014 0.3053 0.2359 -0.0070 0.0488  -0.0120 28  THR B O   
1030 C CB  . THR B 14  ? 0.2725 0.3324 0.1588 0.0668  0.0605  0.0415  28  THR B CB  
1031 O OG1 . THR B 14  ? 0.3491 0.3501 0.2129 0.0755  0.0258  0.0295  28  THR B OG1 
1032 C CG2 . THR B 14  ? 0.2388 0.3339 0.1557 0.0679  0.0642  0.0842  28  THR B CG2 
1033 N N   A PHE B 15  ? 0.1376 0.2944 0.1763 0.0270  0.0630  0.0223  29  PHE B N   
1034 N N   B PHE B 15  ? 0.0939 0.2892 0.1732 0.0187  0.0017  0.0032  29  PHE B N   
1035 C CA  A PHE B 15  ? 0.1725 0.3026 0.1852 0.0366  0.0882  0.0160  29  PHE B CA  
1036 C CA  B PHE B 15  ? 0.1260 0.2754 0.1834 0.0156  -0.0040 0.0107  29  PHE B CA  
1037 C C   A PHE B 15  ? 0.1430 0.2926 0.2099 0.0196  0.0405  0.0032  29  PHE B C   
1038 C C   B PHE B 15  ? 0.1452 0.2801 0.1957 0.0162  -0.0186 0.0186  29  PHE B C   
1039 O O   A PHE B 15  ? 0.1761 0.2901 0.2291 -0.0351 0.1073  0.0236  29  PHE B O   
1040 O O   B PHE B 15  ? 0.1482 0.2828 0.1910 0.0132  -0.0234 0.0202  29  PHE B O   
1041 C CB  A PHE B 15  ? 0.1594 0.3230 0.1241 0.0336  0.0444  0.0195  29  PHE B CB  
1042 C CB  B PHE B 15  ? 0.1372 0.2585 0.1781 0.0142  -0.0049 0.0077  29  PHE B CB  
1043 C CG  A PHE B 15  ? 0.1466 0.3335 0.1689 0.0156  0.0539  0.0294  29  PHE B CG  
1044 C CG  B PHE B 15  ? 0.1449 0.2405 0.1786 0.0128  -0.0031 0.0047  29  PHE B CG  
1045 C CD1 A PHE B 15  ? 0.2026 0.3364 0.1910 0.0189  0.0147  0.0395  29  PHE B CD1 
1046 C CD1 B PHE B 15  ? 0.1487 0.2319 0.1792 0.0125  -0.0005 0.0036  29  PHE B CD1 
1047 C CD2 A PHE B 15  ? 0.1517 0.3344 0.1535 -0.0145 0.0252  0.0467  29  PHE B CD2 
1048 C CD2 B PHE B 15  ? 0.1486 0.2320 0.1792 0.0125  -0.0006 0.0037  29  PHE B CD2 
1049 C CE1 A PHE B 15  ? 0.1821 0.3328 0.1716 0.0223  -0.0156 0.0520  29  PHE B CE1 
1050 C CE1 B PHE B 15  ? 0.1524 0.2261 0.1778 0.0124  0.0013  0.0028  29  PHE B CE1 
1051 C CE2 A PHE B 15  ? 0.1645 0.3345 0.1590 -0.0021 0.0031  0.0600  29  PHE B CE2 
1052 C CE2 B PHE B 15  ? 0.1524 0.2261 0.1778 0.0124  0.0012  0.0028  29  PHE B CE2 
1053 C CZ  A PHE B 15  ? 0.1477 0.3317 0.1651 0.0161  0.0079  0.0399  29  PHE B CZ  
1054 C CZ  B PHE B 15  ? 0.1540 0.2242 0.1767 0.0123  0.0013  0.0024  29  PHE B CZ  
1055 N N   . ILE B 16  ? 0.1661 0.2830 0.2027 0.0247  -0.0349 0.0278  30  ILE B N   
1056 C CA  . ILE B 16  ? 0.1680 0.2858 0.1701 0.0342  -0.0356 0.0312  30  ILE B CA  
1057 C C   . ILE B 16  ? 0.1468 0.2646 0.1611 0.0087  0.0154  0.0422  30  ILE B C   
1058 O O   . ILE B 16  ? 0.1417 0.2657 0.1891 0.0312  0.0223  0.0166  30  ILE B O   
1059 C CB  . ILE B 16  ? 0.2075 0.3130 0.1941 0.0407  0.0150  0.0203  30  ILE B CB  
1060 C CG1 . ILE B 16  ? 0.2823 0.3357 0.2432 0.0220  0.0573  0.0012  30  ILE B CG1 
1061 C CG2 . ILE B 16  ? 0.2588 0.3204 0.2248 0.0257  0.0126  0.0088  30  ILE B CG2 
1062 C CD1 . ILE B 16  ? 0.3676 0.3460 0.3000 0.0196  0.0867  -0.0050 30  ILE B CD1 
1063 N N   . VAL B 17  ? 0.1197 0.2563 0.1415 0.0292  -0.0160 0.0369  31  VAL B N   
1064 C CA  . VAL B 17  ? 0.1234 0.2555 0.1197 0.0185  -0.0141 0.0391  31  VAL B CA  
1065 C C   . VAL B 17  ? 0.1154 0.2564 0.1074 0.0212  -0.0051 0.0210  31  VAL B C   
1066 O O   . VAL B 17  ? 0.1500 0.2587 0.1168 0.0020  0.0133  0.0127  31  VAL B O   
1067 C CB  . VAL B 17  ? 0.1251 0.2543 0.1244 0.0199  0.0065  0.0363  31  VAL B CB  
1068 C CG1 . VAL B 17  ? 0.1334 0.2505 0.1486 0.0060  0.0306  0.0097  31  VAL B CG1 
1069 C CG2 . VAL B 17  ? 0.1806 0.2508 0.1038 0.0141  -0.0041 0.0513  31  VAL B CG2 
1070 N N   . THR B 18  ? 0.1375 0.2558 0.1409 0.0253  -0.0230 0.0089  32  THR B N   
1071 C CA  . THR B 18  ? 0.1508 0.2609 0.1351 0.0444  -0.0221 0.0093  32  THR B CA  
1072 C C   . THR B 18  ? 0.1484 0.2423 0.1213 0.0273  -0.0216 0.0031  32  THR B C   
1073 O O   . THR B 18  ? 0.1640 0.2377 0.1370 0.0253  0.0200  0.0125  32  THR B O   
1074 C CB  . THR B 18  ? 0.2256 0.2784 0.1530 0.0475  -0.0280 0.0094  32  THR B CB  
1075 O OG1 . THR B 18  ? 0.2558 0.2927 0.1238 0.0264  -0.0261 0.0264  32  THR B OG1 
1076 C CG2 . THR B 18  ? 0.2224 0.2852 0.1502 0.0575  -0.0071 -0.0034 32  THR B CG2 
1077 N N   . ALA B 19  ? 0.1305 0.2424 0.1294 0.0381  -0.0194 -0.0023 33  ALA B N   
1078 C CA  . ALA B 19  ? 0.1450 0.2544 0.1398 0.0429  0.0137  0.0010  33  ALA B CA  
1079 C C   . ALA B 19  ? 0.1899 0.2529 0.1301 0.0674  0.0242  -0.0002 33  ALA B C   
1080 O O   . ALA B 19  ? 0.2455 0.2581 0.1427 0.0620  0.0750  0.0100  33  ALA B O   
1081 C CB  . ALA B 19  ? 0.1567 0.2665 0.1495 0.0132  -0.0025 -0.0042 33  ALA B CB  
1082 N N   . GLY B 20  ? 0.2001 0.2495 0.1147 0.0756  0.0335  -0.0049 34  GLY B N   
1083 C CA  . GLY B 20  ? 0.2239 0.2554 0.1298 0.0794  0.0591  -0.0206 34  GLY B CA  
1084 C C   . GLY B 20  ? 0.2459 0.2602 0.1347 0.0797  0.0610  -0.0148 34  GLY B C   
1085 O O   . GLY B 20  ? 0.2258 0.2647 0.1140 0.0617  0.0364  0.0106  34  GLY B O   
1086 N N   . ALA B 21  ? 0.2987 0.2656 0.1517 0.0888  0.0710  -0.0152 35  ALA B N   
1087 C CA  . ALA B 21  ? 0.3069 0.2730 0.1687 0.0928  0.0762  -0.0189 35  ALA B CA  
1088 C C   . ALA B 21  ? 0.2711 0.2740 0.1592 0.0831  0.0687  -0.0218 35  ALA B C   
1089 O O   . ALA B 21  ? 0.2866 0.2826 0.1989 0.0690  0.0648  -0.0143 35  ALA B O   
1090 C CB  . ALA B 21  ? 0.3310 0.2771 0.1743 0.0938  0.0920  -0.0251 35  ALA B CB  
1091 N N   . ASP B 22  ? 0.3147 0.2703 0.1305 0.0594  0.0758  -0.0117 36  ASP B N   
1092 C CA  . ASP B 22  ? 0.2975 0.2784 0.1422 0.0524  0.0579  -0.0228 36  ASP B CA  
1093 C C   . ASP B 22  ? 0.2342 0.2727 0.1227 0.0523  0.0267  -0.0119 36  ASP B C   
1094 O O   . ASP B 22  ? 0.2550 0.2733 0.1420 0.0698  0.0327  0.0142  36  ASP B O   
1095 C CB  . ASP B 22  ? 0.3336 0.2889 0.1905 0.0273  0.0435  -0.0482 36  ASP B CB  
1096 C CG  . ASP B 22  ? 0.3532 0.3085 0.2410 -0.0112 0.0396  -0.0625 36  ASP B CG  
1097 O OD1 . ASP B 22  ? 0.3385 0.3053 0.2342 -0.0165 0.0394  -0.0910 36  ASP B OD1 
1098 O OD2 . ASP B 22  ? 0.4070 0.3311 0.2732 -0.0196 0.0420  -0.0563 36  ASP B OD2 
1099 N N   . GLY B 23  ? 0.1446 0.2636 0.1318 0.0486  0.0274  -0.0027 37  GLY B N   
1100 C CA  . GLY B 23  ? 0.1159 0.2516 0.1092 0.0407  0.0223  -0.0114 37  GLY B CA  
1101 C C   . GLY B 23  ? 0.1138 0.2393 0.0963 0.0263  0.0071  0.0023  37  GLY B C   
1102 O O   . GLY B 23  ? 0.1319 0.2396 0.1097 0.0254  -0.0130 -0.0217 37  GLY B O   
1103 N N   . ALA B 24  ? 0.1191 0.2335 0.1087 0.0301  -0.0001 0.0146  38  ALA B N   
1104 C CA  . ALA B 24  ? 0.1255 0.2288 0.1277 0.0144  -0.0272 0.0016  38  ALA B CA  
1105 C C   . ALA B 24  ? 0.1345 0.2190 0.1117 0.0351  0.0035  -0.0004 38  ALA B C   
1106 O O   . ALA B 24  ? 0.1628 0.2159 0.1171 0.0363  0.0317  -0.0037 38  ALA B O   
1107 C CB  . ALA B 24  ? 0.1202 0.2379 0.1642 -0.0024 -0.0247 -0.0136 38  ALA B CB  
1108 N N   . LEU B 25  ? 0.1313 0.2165 0.0965 0.0331  -0.0131 -0.0142 39  LEU B N   
1109 C CA  . LEU B 25  ? 0.1103 0.2234 0.1004 0.0266  -0.0122 -0.0210 39  LEU B CA  
1110 C C   . LEU B 25  ? 0.1162 0.2341 0.0905 0.0283  -0.0214 -0.0308 39  LEU B C   
1111 O O   . LEU B 25  ? 0.1717 0.2398 0.0794 0.0148  0.0330  -0.0284 39  LEU B O   
1112 C CB  . LEU B 25  ? 0.0954 0.2274 0.0845 -0.0059 0.0011  -0.0163 39  LEU B CB  
1113 C CG  . LEU B 25  ? 0.0964 0.2374 0.0828 0.0068  -0.0037 -0.0110 39  LEU B CG  
1114 C CD1 . LEU B 25  ? 0.0866 0.2458 0.0983 0.0129  -0.0104 -0.0415 39  LEU B CD1 
1115 C CD2 . LEU B 25  ? 0.1564 0.2382 0.0987 -0.0198 0.0246  0.0095  39  LEU B CD2 
1116 N N   . THR B 26  ? 0.1133 0.2361 0.1052 0.0268  -0.0146 -0.0118 40  THR B N   
1117 C CA  . THR B 26  ? 0.1036 0.2392 0.1069 0.0252  -0.0146 -0.0035 40  THR B CA  
1118 C C   . THR B 26  ? 0.0932 0.2382 0.1153 0.0108  -0.0406 0.0043  40  THR B C   
1119 O O   . THR B 26  ? 0.1296 0.2532 0.1885 -0.0126 -0.0082 0.0344  40  THR B O   
1120 C CB  . THR B 26  ? 0.1248 0.2503 0.1198 0.0132  -0.0109 0.0031  40  THR B CB  
1121 O OG1 . THR B 26  ? 0.1883 0.2631 0.1673 0.0108  0.0214  -0.0105 40  THR B OG1 
1122 C CG2 . THR B 26  ? 0.1920 0.2577 0.1262 0.0035  -0.0102 -0.0116 40  THR B CG2 
1123 N N   . GLY B 27  ? 0.0981 0.2437 0.1015 0.0113  -0.0281 0.0087  41  GLY B N   
1124 C CA  . GLY B 27  ? 0.1126 0.2513 0.1035 0.0182  -0.0070 0.0227  41  GLY B CA  
1125 C C   . GLY B 27  ? 0.1089 0.2608 0.0925 0.0112  -0.0097 0.0046  41  GLY B C   
1126 O O   . GLY B 27  ? 0.1189 0.2528 0.0830 0.0047  -0.0035 0.0209  41  GLY B O   
1127 N N   A THR B 28  ? 0.0943 0.2686 0.1080 0.0089  -0.0016 -0.0053 42  THR B N   
1128 N N   B THR B 28  ? 0.1180 0.2639 0.1059 0.0066  -0.0092 -0.0009 42  THR B N   
1129 C CA  A THR B 28  ? 0.0909 0.2824 0.1422 0.0090  0.0266  -0.0024 42  THR B CA  
1130 C CA  B THR B 28  ? 0.1320 0.2688 0.1272 0.0005  -0.0058 -0.0046 42  THR B CA  
1131 C C   A THR B 28  ? 0.1083 0.2756 0.1512 -0.0005 0.0207  -0.0101 42  THR B C   
1132 C C   B THR B 28  ? 0.1226 0.2706 0.1348 0.0120  0.0061  -0.0068 42  THR B C   
1133 O O   A THR B 28  ? 0.1103 0.2785 0.1814 0.0051  0.0287  -0.0031 42  THR B O   
1134 O O   B THR B 28  ? 0.0960 0.2749 0.1538 0.0380  0.0069  0.0029  42  THR B O   
1135 C CB  A THR B 28  ? 0.1212 0.3070 0.1634 0.0192  0.0279  -0.0229 42  THR B CB  
1136 C CB  B THR B 28  ? 0.1628 0.2749 0.1151 -0.0137 -0.0314 -0.0185 42  THR B CB  
1137 O OG1 A THR B 28  ? 0.1495 0.3169 0.1755 0.0142  0.0004  -0.0312 42  THR B OG1 
1138 O OG1 B THR B 28  ? 0.1752 0.2753 0.1085 -0.0166 -0.0604 -0.0114 42  THR B OG1 
1139 C CG2 A THR B 28  ? 0.1282 0.3176 0.1848 0.0168  0.0557  -0.0250 42  THR B CG2 
1140 C CG2 B THR B 28  ? 0.1670 0.2746 0.1104 -0.0282 -0.0432 -0.0245 42  THR B CG2 
1141 N N   . TYR B 29  ? 0.1291 0.2697 0.1275 0.0182  0.0064  -0.0069 43  TYR B N   
1142 C CA  . TYR B 29  ? 0.1450 0.2730 0.1300 0.0044  0.0086  0.0179  43  TYR B CA  
1143 C C   . TYR B 29  ? 0.1203 0.2806 0.1568 0.0126  0.0135  0.0322  43  TYR B C   
1144 O O   . TYR B 29  ? 0.1107 0.2841 0.1582 0.0121  -0.0040 0.0097  43  TYR B O   
1145 C CB  . TYR B 29  ? 0.1532 0.2716 0.1063 -0.0061 0.0047  0.0224  43  TYR B CB  
1146 C CG  . TYR B 29  ? 0.1306 0.2687 0.0919 -0.0134 0.0367  0.0036  43  TYR B CG  
1147 C CD1 . TYR B 29  ? 0.1304 0.2712 0.1146 -0.0094 0.0312  -0.0010 43  TYR B CD1 
1148 C CD2 . TYR B 29  ? 0.1456 0.2693 0.0807 -0.0045 0.0053  0.0089  43  TYR B CD2 
1149 C CE1 . TYR B 29  ? 0.0986 0.2667 0.1152 -0.0031 -0.0011 -0.0098 43  TYR B CE1 
1150 C CE2 . TYR B 29  ? 0.1847 0.2689 0.0723 -0.0012 0.0186  0.0078  43  TYR B CE2 
1151 C CZ  . TYR B 29  ? 0.1524 0.2656 0.0885 -0.0152 0.0146  -0.0053 43  TYR B CZ  
1152 O OH  . TYR B 29  ? 0.2302 0.2661 0.1182 -0.0348 -0.0003 -0.0042 43  TYR B OH  
1153 N N   . GLU B 30  ? 0.1108 0.2861 0.2343 0.0172  0.0095  0.0619  44  GLU B N   
1154 C CA  . GLU B 30  ? 0.1611 0.3038 0.2966 0.0370  0.0433  0.0569  44  GLU B CA  
1155 C C   . GLU B 30  ? 0.1949 0.3121 0.3800 0.0349  0.0674  0.0480  44  GLU B C   
1156 O O   . GLU B 30  ? 0.1420 0.3006 0.3701 0.0285  0.0705  0.0343  44  GLU B O   
1157 C CB  . GLU B 30  ? 0.2432 0.3148 0.3308 0.0497  0.0058  0.0641  44  GLU B CB  
1158 C CG  . GLU B 30  ? 0.2868 0.3254 0.3522 0.0296  0.0075  0.0548  44  GLU B CG  
1159 C CD  . GLU B 30  ? 0.3268 0.3276 0.3606 0.0122  0.0220  0.0484  44  GLU B CD  
1160 O OE1 . GLU B 30  ? 0.3414 0.3272 0.3651 0.0089  0.0431  0.0397  44  GLU B OE1 
1161 O OE2 . GLU B 30  ? 0.3335 0.3292 0.3677 -0.0001 0.0181  0.0477  44  GLU B OE2 
1162 N N   . SER B 31  ? 0.2733 0.3358 0.4492 0.0193  0.0816  0.0431  45  SER B N   
1163 C CA  . SER B 31  ? 0.3683 0.3613 0.4944 0.0243  0.0939  0.0325  45  SER B CA  
1164 C C   . SER B 31  ? 0.4476 0.3769 0.5088 0.0432  0.0723  0.0267  45  SER B C   
1165 O O   . SER B 31  ? 0.4849 0.3772 0.5017 0.0464  0.0673  0.0196  45  SER B O   
1166 C CB  . SER B 31  ? 0.4215 0.3738 0.5231 0.0113  0.1012  0.0308  45  SER B CB  
1167 O OG  . SER B 31  ? 0.4765 0.3837 0.5563 0.0031  0.1022  0.0300  45  SER B OG  
1168 N N   . ALA B 32  ? 0.4826 0.3909 0.5220 0.0526  0.0675  0.0324  46  ALA B N   
1169 C CA  . ALA B 32  ? 0.5007 0.4032 0.5390 0.0588  0.0490  0.0329  46  ALA B CA  
1170 C C   . ALA B 32  ? 0.5254 0.4113 0.5459 0.0559  0.0286  0.0316  46  ALA B C   
1171 O O   . ALA B 32  ? 0.5381 0.4188 0.5555 0.0556  0.0168  0.0339  46  ALA B O   
1172 C CB  . ALA B 32  ? 0.4991 0.4058 0.5483 0.0616  0.0423  0.0349  46  ALA B CB  
1173 N N   . ASN B 35  ? 0.5423 0.5357 0.5021 0.0523  -0.0784 0.1036  49  ASN B N   
1174 C CA  . ASN B 35  ? 0.5362 0.5338 0.5043 0.0526  -0.0790 0.0975  49  ASN B CA  
1175 C C   . ASN B 35  ? 0.5186 0.5296 0.4877 0.0580  -0.0821 0.0961  49  ASN B C   
1176 O O   . ASN B 35  ? 0.5096 0.5290 0.4925 0.0657  -0.0780 0.1123  49  ASN B O   
1177 C CB  . ASN B 35  ? 0.5417 0.5385 0.5249 0.0513  -0.0842 0.0944  49  ASN B CB  
1178 C CG  . ASN B 35  ? 0.5497 0.5422 0.5446 0.0506  -0.0823 0.0928  49  ASN B CG  
1179 O OD1 . ASN B 35  ? 0.5456 0.5451 0.5593 0.0491  -0.0796 0.0898  49  ASN B OD1 
1180 N ND2 . ASN B 35  ? 0.5552 0.5420 0.5469 0.0529  -0.0855 0.0928  49  ASN B ND2 
1181 N N   . ALA B 36  ? 0.5010 0.5260 0.4591 0.0574  -0.0900 0.0828  50  ALA B N   
1182 C CA  . ALA B 36  ? 0.4758 0.5205 0.4231 0.0569  -0.0995 0.0664  50  ALA B CA  
1183 C C   . ALA B 36  ? 0.4303 0.5137 0.3965 0.0698  -0.1212 0.0616  50  ALA B C   
1184 O O   . ALA B 36  ? 0.4243 0.5165 0.3841 0.0773  -0.1406 0.0579  50  ALA B O   
1185 C CB  . ALA B 36  ? 0.4842 0.5201 0.4111 0.0543  -0.1005 0.0577  50  ALA B CB  
1186 N N   . GLU B 37  ? 0.3516 0.4990 0.3671 0.0711  -0.1498 0.0559  51  GLU B N   
1187 C CA  . GLU B 37  ? 0.3076 0.4862 0.3659 0.0641  -0.1427 0.0562  51  GLU B CA  
1188 C C   . GLU B 37  ? 0.2409 0.4609 0.3241 0.0539  -0.1090 0.0521  51  GLU B C   
1189 O O   . GLU B 37  ? 0.2521 0.4606 0.3120 0.0314  -0.0496 0.0495  51  GLU B O   
1190 C CB  . GLU B 37  ? 0.3683 0.4971 0.4074 0.0696  -0.1235 0.0661  51  GLU B CB  
1191 C CG  . GLU B 37  ? 0.4401 0.5099 0.4603 0.0514  -0.0951 0.0667  51  GLU B CG  
1192 C CD  . GLU B 37  ? 0.4772 0.5211 0.5043 0.0411  -0.0847 0.0684  51  GLU B CD  
1193 O OE1 . GLU B 37  ? 0.4825 0.5259 0.5261 0.0396  -0.0784 0.0708  51  GLU B OE1 
1194 O OE2 . GLU B 37  ? 0.4904 0.5247 0.5339 0.0368  -0.0959 0.0686  51  GLU B OE2 
1195 N N   . SER B 38  ? 0.2360 0.4392 0.3281 0.0587  -0.0525 0.0552  52  SER B N   
1196 C CA  . SER B 38  ? 0.2576 0.4199 0.3228 0.0498  -0.0053 0.0517  52  SER B CA  
1197 C C   . SER B 38  ? 0.1794 0.3917 0.2453 0.0575  0.0044  0.0549  52  SER B C   
1198 O O   . SER B 38  ? 0.1526 0.3854 0.2620 0.0501  0.0563  0.0545  52  SER B O   
1199 C CB  . SER B 38  ? 0.3376 0.4300 0.3935 0.0349  0.0302  0.0518  52  SER B CB  
1200 O OG  . SER B 38  ? 0.4300 0.4384 0.4378 0.0217  0.0527  0.0464  52  SER B OG  
1201 N N   . ARG B 39  ? 0.1644 0.3818 0.2098 0.0411  -0.0146 0.0541  53  ARG B N   
1202 C CA  . ARG B 39  ? 0.1853 0.3698 0.1692 0.0105  -0.0147 0.0316  53  ARG B CA  
1203 C C   . ARG B 39  ? 0.1382 0.3403 0.1350 0.0099  -0.0272 0.0076  53  ARG B C   
1204 O O   . ARG B 39  ? 0.1353 0.3418 0.1576 0.0035  -0.0489 -0.0003 53  ARG B O   
1205 C CB  . ARG B 39  ? 0.2409 0.3938 0.1871 -0.0151 -0.0040 0.0369  53  ARG B CB  
1206 C CG  . ARG B 39  ? 0.3144 0.4133 0.2298 -0.0210 0.0187  0.0374  53  ARG B CG  
1207 C CD  . ARG B 39  ? 0.3682 0.4285 0.2925 -0.0249 0.0249  0.0431  53  ARG B CD  
1208 N NE  . ARG B 39  ? 0.4242 0.4416 0.3625 -0.0161 0.0338  0.0443  53  ARG B NE  
1209 C CZ  . ARG B 39  ? 0.4671 0.4461 0.4282 -0.0171 0.0372  0.0449  53  ARG B CZ  
1210 N NH1 . ARG B 39  ? 0.4968 0.4477 0.4668 -0.0231 0.0311  0.0417  53  ARG B NH1 
1211 N NH2 . ARG B 39  ? 0.4689 0.4482 0.4342 -0.0107 0.0379  0.0389  53  ARG B NH2 
1212 N N   . TYR B 40  ? 0.1196 0.3156 0.0865 0.0160  0.0118  -0.0030 54  TYR B N   
1213 C CA  . TYR B 40  ? 0.1251 0.3038 0.0911 0.0169  0.0105  -0.0091 54  TYR B CA  
1214 C C   . TYR B 40  ? 0.1070 0.2884 0.1128 0.0011  0.0074  0.0015  54  TYR B C   
1215 O O   . TYR B 40  ? 0.1168 0.2756 0.1391 -0.0061 0.0232  0.0078  54  TYR B O   
1216 C CB  . TYR B 40  ? 0.1078 0.3152 0.0908 0.0373  -0.0048 -0.0221 54  TYR B CB  
1217 C CG  . TYR B 40  ? 0.0880 0.3065 0.1247 0.0374  0.0041  -0.0214 54  TYR B CG  
1218 C CD1 . TYR B 40  ? 0.1072 0.3247 0.1366 0.0361  -0.0246 -0.0161 54  TYR B CD1 
1219 C CD2 . TYR B 40  ? 0.0822 0.3036 0.1226 0.0202  0.0078  -0.0163 54  TYR B CD2 
1220 C CE1 . TYR B 40  ? 0.1248 0.3254 0.1411 0.0350  -0.0028 -0.0094 54  TYR B CE1 
1221 C CE2 . TYR B 40  ? 0.0862 0.3120 0.1142 0.0096  -0.0145 -0.0083 54  TYR B CE2 
1222 C CZ  . TYR B 40  ? 0.1071 0.3272 0.1405 0.0450  -0.0066 -0.0097 54  TYR B CZ  
1223 O OH  . TYR B 40  ? 0.1691 0.3210 0.1623 0.0595  0.0349  0.0135  54  TYR B OH  
1224 N N   . VAL B 41  ? 0.0816 0.2916 0.1104 -0.0024 -0.0148 -0.0016 55  VAL B N   
1225 C CA  . VAL B 41  ? 0.0993 0.2976 0.1027 -0.0084 -0.0081 -0.0063 55  VAL B CA  
1226 C C   . VAL B 41  ? 0.0911 0.2915 0.0898 0.0225  0.0127  -0.0102 55  VAL B C   
1227 O O   . VAL B 41  ? 0.0876 0.2914 0.1200 0.0194  0.0129  -0.0099 55  VAL B O   
1228 C CB  . VAL B 41  ? 0.1266 0.3141 0.1160 -0.0013 -0.0045 -0.0081 55  VAL B CB  
1229 C CG1 . VAL B 41  ? 0.1405 0.3175 0.1157 0.0008  -0.0060 0.0067  55  VAL B CG1 
1230 C CG2 . VAL B 41  ? 0.1166 0.3201 0.1065 0.0107  -0.0071 -0.0295 55  VAL B CG2 
1231 N N   . LEU B 42  ? 0.0977 0.2912 0.0995 0.0332  -0.0213 -0.0298 56  LEU B N   
1232 C CA  . LEU B 42  ? 0.1432 0.3122 0.1315 0.0366  -0.0185 -0.0294 56  LEU B CA  
1233 C C   . LEU B 42  ? 0.1031 0.2986 0.0996 0.0445  -0.0207 -0.0317 56  LEU B C   
1234 O O   . LEU B 42  ? 0.1272 0.3054 0.0866 0.0407  0.0025  -0.0295 56  LEU B O   
1235 C CB  . LEU B 42  ? 0.1920 0.3266 0.1929 0.0176  -0.0327 -0.0095 56  LEU B CB  
1236 C CG  . LEU B 42  ? 0.2260 0.3230 0.1507 0.0266  -0.0296 0.0218  56  LEU B CG  
1237 C CD1 . LEU B 42  ? 0.1677 0.3193 0.1156 0.0384  -0.0374 0.0377  56  LEU B CD1 
1238 C CD2 . LEU B 42  ? 0.2894 0.3317 0.2022 0.0432  -0.0273 0.0181  56  LEU B CD2 
1239 N N   A THR B 43  ? 0.1049 0.2945 0.1005 0.0360  -0.0240 -0.0322 57  THR B N   
1240 N N   B THR B 43  ? 0.0682 0.2560 0.0906 0.0174  -0.0024 -0.0177 57  THR B N   
1241 C CA  A THR B 43  ? 0.0858 0.2942 0.1071 0.0166  -0.0171 -0.0069 57  THR B CA  
1242 C CA  B THR B 43  ? 0.0623 0.2406 0.1067 0.0003  0.0042  0.0052  57  THR B CA  
1243 C C   A THR B 43  ? 0.0835 0.2653 0.0841 0.0104  -0.0154 -0.0065 57  THR B C   
1244 C C   B THR B 43  ? 0.0641 0.2482 0.0936 0.0004  -0.0005 0.0132  57  THR B C   
1245 O O   A THR B 43  ? 0.1084 0.2591 0.0744 0.0251  -0.0105 -0.0292 57  THR B O   
1246 O O   B THR B 43  ? 0.0681 0.2557 0.1078 0.0135  0.0043  0.0260  57  THR B O   
1247 C CB  A THR B 43  ? 0.0751 0.2879 0.1320 -0.0105 0.0050  0.0112  57  THR B CB  
1248 C CB  B THR B 43  ? 0.0830 0.2465 0.1266 -0.0245 0.0287  0.0137  57  THR B CB  
1249 O OG1 A THR B 43  ? 0.0931 0.2931 0.1404 -0.0176 -0.0319 0.0284  57  THR B OG1 
1250 O OG1 B THR B 43  ? 0.0958 0.2430 0.1468 -0.0270 0.0465  0.0106  57  THR B OG1 
1251 C CG2 A THR B 43  ? 0.0844 0.3101 0.1454 -0.0002 0.0155  0.0284  57  THR B CG2 
1252 C CG2 B THR B 43  ? 0.0869 0.2431 0.1146 -0.0344 0.0253  0.0136  57  THR B CG2 
1253 N N   . GLY B 44  ? 0.0788 0.2545 0.0880 0.0162  -0.0165 -0.0067 58  GLY B N   
1254 C CA  . GLY B 44  ? 0.0862 0.2446 0.0855 0.0423  -0.0043 0.0107  58  GLY B CA  
1255 C C   . GLY B 44  ? 0.0883 0.2170 0.0734 0.0336  0.0180  -0.0041 58  GLY B C   
1256 O O   . GLY B 44  ? 0.1028 0.2227 0.0792 0.0346  0.0071  -0.0167 58  GLY B O   
1257 N N   . ARG B 45  ? 0.0861 0.2174 0.0806 0.0075  -0.0060 0.0044  59  ARG B N   
1258 C CA  . ARG B 45  ? 0.0896 0.2187 0.0964 0.0142  -0.0227 -0.0035 59  ARG B CA  
1259 C C   . ARG B 45  ? 0.0799 0.2158 0.0895 0.0288  0.0077  -0.0202 59  ARG B C   
1260 O O   . ARG B 45  ? 0.1211 0.2045 0.1053 0.0246  0.0037  -0.0241 59  ARG B O   
1261 C CB  . ARG B 45  ? 0.1353 0.2232 0.1164 0.0279  -0.0172 -0.0033 59  ARG B CB  
1262 C CG  . ARG B 45  ? 0.1543 0.2200 0.1371 0.0147  0.0016  -0.0243 59  ARG B CG  
1263 C CD  . ARG B 45  ? 0.1140 0.2132 0.1467 0.0044  0.0127  -0.0243 59  ARG B CD  
1264 N NE  . ARG B 45  ? 0.1257 0.2054 0.1330 0.0147  0.0061  -0.0222 59  ARG B NE  
1265 C CZ  . ARG B 45  ? 0.1514 0.2055 0.1059 0.0286  0.0027  -0.0025 59  ARG B CZ  
1266 N NH1 . ARG B 45  ? 0.2042 0.2144 0.1018 0.0229  -0.0037 0.0094  59  ARG B NH1 
1267 N NH2 . ARG B 45  ? 0.1622 0.1978 0.1218 0.0493  0.0157  -0.0129 59  ARG B NH2 
1268 N N   . TYR B 46  ? 0.0665 0.2351 0.1088 0.0217  -0.0115 -0.0178 60  TYR B N   
1269 C CA  . TYR B 46  ? 0.0816 0.2461 0.1022 0.0403  -0.0027 -0.0138 60  TYR B CA  
1270 C C   . TYR B 46  ? 0.0795 0.2478 0.1041 0.0427  0.0065  -0.0157 60  TYR B C   
1271 O O   . TYR B 46  ? 0.1077 0.2518 0.1230 0.0426  -0.0068 -0.0256 60  TYR B O   
1272 C CB  . TYR B 46  ? 0.1084 0.2494 0.0961 0.0522  0.0257  -0.0009 60  TYR B CB  
1273 C CG  . TYR B 46  ? 0.1390 0.2464 0.0978 0.0424  0.0241  0.0138  60  TYR B CG  
1274 C CD1 . TYR B 46  ? 0.1267 0.2493 0.1054 0.0362  0.0242  0.0200  60  TYR B CD1 
1275 C CD2 . TYR B 46  ? 0.1753 0.2510 0.1270 0.0506  0.0371  -0.0049 60  TYR B CD2 
1276 C CE1 . TYR B 46  ? 0.1143 0.2528 0.1247 0.0401  0.0393  0.0162  60  TYR B CE1 
1277 C CE2 . TYR B 46  ? 0.1492 0.2547 0.1384 0.0457  0.0434  -0.0110 60  TYR B CE2 
1278 C CZ  . TYR B 46  ? 0.1205 0.2571 0.1141 0.0544  0.0356  -0.0072 60  TYR B CZ  
1279 O OH  . TYR B 46  ? 0.2044 0.2674 0.1371 0.0426  0.0495  -0.0252 60  TYR B OH  
1280 N N   . ASP B 47  ? 0.0860 0.2671 0.1110 0.0442  -0.0134 -0.0198 61  ASP B N   
1281 C CA  . ASP B 47  ? 0.0880 0.2711 0.1312 0.0362  -0.0132 -0.0375 61  ASP B CA  
1282 C C   . ASP B 47  ? 0.0966 0.2728 0.1311 0.0386  0.0088  -0.0528 61  ASP B C   
1283 O O   . ASP B 47  ? 0.0985 0.2645 0.1313 0.0086  0.0148  -0.0387 61  ASP B O   
1284 C CB  . ASP B 47  ? 0.0830 0.2723 0.1464 0.0352  -0.0211 -0.0230 61  ASP B CB  
1285 C CG  . ASP B 47  ? 0.1032 0.2793 0.1382 0.0356  -0.0070 -0.0292 61  ASP B CG  
1286 O OD1 . ASP B 47  ? 0.1359 0.2820 0.1341 0.0437  0.0012  -0.0400 61  ASP B OD1 
1287 O OD2 . ASP B 47  ? 0.1036 0.2797 0.1455 0.0329  -0.0106 -0.0298 61  ASP B OD2 
1288 N N   . SER B 48  ? 0.0925 0.2732 0.1215 0.0418  0.0032  -0.0547 62  SER B N   
1289 C CA  . SER B 48  ? 0.1305 0.3052 0.1360 0.0336  -0.0125 -0.0617 62  SER B CA  
1290 C C   . SER B 48  ? 0.1074 0.3245 0.1314 0.0405  0.0019  -0.0712 62  SER B C   
1291 O O   . SER B 48  ? 0.1188 0.3509 0.1293 0.0197  -0.0121 -0.0577 62  SER B O   
1292 C CB  . SER B 48  ? 0.1817 0.3009 0.1448 0.0290  -0.0096 -0.0473 62  SER B CB  
1293 O OG  . SER B 48  ? 0.2381 0.2905 0.1434 0.0315  -0.0049 -0.0395 62  SER B OG  
1294 N N   . ALA B 49  ? 0.0927 0.3189 0.1324 0.0367  -0.0057 -0.0556 63  ALA B N   
1295 C CA  . ALA B 49  ? 0.1229 0.3315 0.1700 0.0457  0.0167  -0.0572 63  ALA B CA  
1296 C C   . ALA B 49  ? 0.1237 0.3244 0.1453 0.0289  0.0109  -0.0468 63  ALA B C   
1297 O O   . ALA B 49  ? 0.1384 0.3136 0.1472 0.0396  0.0107  -0.0384 63  ALA B O   
1298 C CB  . ALA B 49  ? 0.1275 0.3440 0.1950 0.0776  0.0059  -0.0506 63  ALA B CB  
1299 N N   . PRO B 50  ? 0.1218 0.3271 0.1392 0.0193  -0.0141 -0.0340 64  PRO B N   
1300 C CA  . PRO B 50  ? 0.0981 0.3372 0.1737 0.0188  -0.0279 -0.0146 64  PRO B CA  
1301 C C   . PRO B 50  ? 0.1125 0.3376 0.2055 0.0140  -0.0052 -0.0348 64  PRO B C   
1302 O O   . PRO B 50  ? 0.1047 0.3362 0.2388 0.0207  -0.0057 -0.0474 64  PRO B O   
1303 C CB  . PRO B 50  ? 0.1156 0.3437 0.1874 0.0154  -0.0245 -0.0149 64  PRO B CB  
1304 C CG  . PRO B 50  ? 0.1065 0.3409 0.1870 0.0033  -0.0112 -0.0210 64  PRO B CG  
1305 C CD  . PRO B 50  ? 0.1247 0.3316 0.1600 0.0203  -0.0345 -0.0265 64  PRO B CD  
1306 N N   . ALA B 51  ? 0.0948 0.3398 0.2083 0.0166  -0.0265 -0.0266 65  ALA B N   
1307 C CA  . ALA B 51  ? 0.1045 0.3663 0.2277 0.0154  -0.0274 -0.0299 65  ALA B CA  
1308 C C   . ALA B 51  ? 0.1168 0.3866 0.2427 0.0209  0.0064  -0.0226 65  ALA B C   
1309 O O   . ALA B 51  ? 0.1598 0.3941 0.2334 0.0411  0.0137  -0.0196 65  ALA B O   
1310 C CB  . ALA B 51  ? 0.1297 0.3693 0.2445 -0.0190 -0.0384 -0.0279 65  ALA B CB  
1311 N N   . THR B 52  ? 0.1303 0.4040 0.2470 -0.0065 0.0186  -0.0201 66  THR B N   
1312 C CA  . THR B 52  ? 0.1453 0.4242 0.2207 -0.0075 -0.0167 -0.0209 66  THR B CA  
1313 C C   . THR B 52  ? 0.1094 0.4263 0.2243 0.0090  0.0088  -0.0086 66  THR B C   
1314 O O   . THR B 52  ? 0.1298 0.4414 0.2300 0.0257  0.0349  -0.0152 66  THR B O   
1315 C CB  . THR B 52  ? 0.2308 0.4353 0.2352 -0.0176 -0.0074 -0.0344 66  THR B CB  
1316 O OG1 . THR B 52  ? 0.2766 0.4414 0.2308 -0.0142 -0.0101 -0.0533 66  THR B OG1 
1317 C CG2 . THR B 52  ? 0.2892 0.4425 0.2696 -0.0142 -0.0142 -0.0260 66  THR B CG2 
1318 N N   . ASP B 53  ? 0.1083 0.4115 0.2100 0.0047  0.0194  0.0020  67  ASP B N   
1319 C CA  . ASP B 53  ? 0.1097 0.3878 0.2243 -0.0111 0.0360  0.0068  67  ASP B CA  
1320 C C   . ASP B 53  ? 0.1108 0.3902 0.2488 -0.0024 0.0403  0.0170  67  ASP B C   
1321 O O   . ASP B 53  ? 0.1126 0.4058 0.3095 -0.0062 -0.0255 0.0216  67  ASP B O   
1322 C CB  . ASP B 53  ? 0.1247 0.3814 0.2010 -0.0241 0.0508  -0.0013 67  ASP B CB  
1323 C CG  . ASP B 53  ? 0.1065 0.3744 0.1665 -0.0326 -0.0201 -0.0076 67  ASP B CG  
1324 O OD1 . ASP B 53  ? 0.0959 0.3639 0.1892 -0.0238 -0.0073 -0.0031 67  ASP B OD1 
1325 O OD2 . ASP B 53  ? 0.1035 0.3983 0.1992 -0.0226 0.0008  0.0001  67  ASP B OD2 
1326 N N   . GLY B 54  ? 0.1268 0.3911 0.2453 0.0058  0.0618  0.0200  68  GLY B N   
1327 C CA  . GLY B 54  ? 0.1194 0.3833 0.2600 0.0172  0.0552  0.0305  68  GLY B CA  
1328 C C   . GLY B 54  ? 0.1193 0.3836 0.2331 0.0157  0.0509  0.0314  68  GLY B C   
1329 O O   . GLY B 54  ? 0.1485 0.4001 0.2652 0.0049  0.0604  0.0396  68  GLY B O   
1330 N N   . SER B 55  ? 0.1030 0.3849 0.1859 -0.0071 0.0085  0.0212  69  SER B N   
1331 C CA  . SER B 55  ? 0.0961 0.3375 0.1669 -0.0059 0.0246  0.0311  69  SER B CA  
1332 C C   . SER B 55  ? 0.0913 0.3282 0.1486 -0.0108 0.0196  0.0168  69  SER B C   
1333 O O   . SER B 55  ? 0.1084 0.3413 0.1510 0.0241  0.0228  -0.0081 69  SER B O   
1334 C CB  . SER B 55  ? 0.1108 0.3531 0.1907 -0.0415 0.0252  0.0386  69  SER B CB  
1335 O OG  . SER B 55  ? 0.2008 0.4014 0.2171 -0.0297 0.0141  0.0356  69  SER B OG  
1336 N N   . GLY B 56  ? 0.0854 0.3110 0.1242 -0.0140 0.0138  0.0107  70  GLY B N   
1337 C CA  . GLY B 56  ? 0.0740 0.2839 0.1375 -0.0145 -0.0001 -0.0042 70  GLY B CA  
1338 C C   . GLY B 56  ? 0.0793 0.2713 0.1134 0.0110  0.0190  -0.0108 70  GLY B C   
1339 O O   . GLY B 56  ? 0.0983 0.2888 0.1279 0.0195  0.0097  -0.0268 70  GLY B O   
1340 N N   . THR B 57  ? 0.0932 0.2732 0.1137 -0.0003 0.0312  -0.0144 71  THR B N   
1341 C CA  . THR B 57  ? 0.1180 0.2672 0.0918 0.0033  0.0264  -0.0213 71  THR B CA  
1342 C C   . THR B 57  ? 0.0923 0.2465 0.0675 0.0079  0.0086  0.0032  71  THR B C   
1343 O O   . THR B 57  ? 0.0981 0.2544 0.1007 0.0009  -0.0001 -0.0050 71  THR B O   
1344 C CB  . THR B 57  ? 0.1149 0.2724 0.1003 -0.0189 0.0077  -0.0371 71  THR B CB  
1345 O OG1 . THR B 57  ? 0.1230 0.2774 0.1090 0.0039  0.0317  -0.0355 71  THR B OG1 
1346 C CG2 . THR B 57  ? 0.1163 0.2733 0.1231 -0.0170 0.0117  -0.0446 71  THR B CG2 
1347 N N   . ALA B 58  ? 0.0878 0.2237 0.0625 -0.0031 0.0115  0.0067  72  ALA B N   
1348 C CA  . ALA B 58  ? 0.0911 0.2247 0.0692 0.0077  0.0166  0.0216  72  ALA B CA  
1349 C C   . ALA B 58  ? 0.0810 0.2276 0.0922 0.0178  -0.0123 0.0066  72  ALA B C   
1350 O O   . ALA B 58  ? 0.0949 0.2356 0.1127 0.0199  0.0097  -0.0184 72  ALA B O   
1351 C CB  . ALA B 58  ? 0.1385 0.2174 0.0777 0.0234  0.0365  0.0246  72  ALA B CB  
1352 N N   . LEU B 59  ? 0.0810 0.2287 0.1055 0.0125  0.0095  0.0140  73  LEU B N   
1353 C CA  . LEU B 59  ? 0.0715 0.2233 0.1085 0.0117  0.0247  0.0238  73  LEU B CA  
1354 C C   . LEU B 59  ? 0.0698 0.2286 0.0902 0.0130  -0.0007 0.0111  73  LEU B C   
1355 O O   . LEU B 59  ? 0.1085 0.2308 0.1107 0.0073  0.0181  -0.0280 73  LEU B O   
1356 C CB  . LEU B 59  ? 0.1384 0.2507 0.1245 0.0071  0.0372  0.0465  73  LEU B CB  
1357 C CG  . LEU B 59  ? 0.2285 0.2754 0.1614 0.0202  0.0879  0.0603  73  LEU B CG  
1358 C CD1 . LEU B 59  ? 0.2718 0.2861 0.1981 0.0256  0.0689  0.0673  73  LEU B CD1 
1359 C CD2 . LEU B 59  ? 0.2894 0.2795 0.1536 0.0159  0.0982  0.0560  73  LEU B CD2 
1360 N N   . GLY B 60  ? 0.0610 0.2225 0.0883 0.0018  -0.0075 0.0064  74  GLY B N   
1361 C CA  . GLY B 60  ? 0.0555 0.2086 0.0980 0.0138  0.0011  0.0036  74  GLY B CA  
1362 C C   . GLY B 60  ? 0.0514 0.1975 0.0773 0.0016  0.0020  0.0073  74  GLY B C   
1363 O O   . GLY B 60  ? 0.1007 0.2027 0.0765 0.0123  0.0070  -0.0061 74  GLY B O   
1364 N N   . TRP B 61  ? 0.0539 0.2016 0.0981 0.0119  -0.0047 0.0046  75  TRP B N   
1365 C CA  . TRP B 61  ? 0.0713 0.2156 0.0742 0.0174  -0.0143 0.0073  75  TRP B CA  
1366 C C   . TRP B 61  ? 0.0918 0.2151 0.0604 0.0250  -0.0014 -0.0041 75  TRP B C   
1367 O O   . TRP B 61  ? 0.0826 0.2177 0.0759 0.0134  0.0189  -0.0117 75  TRP B O   
1368 C CB  . TRP B 61  ? 0.1241 0.2138 0.0814 0.0110  0.0130  0.0044  75  TRP B CB  
1369 C CG  . TRP B 61  ? 0.0978 0.2229 0.0740 0.0098  -0.0012 -0.0080 75  TRP B CG  
1370 C CD1 . TRP B 61  ? 0.1205 0.2277 0.0980 0.0076  -0.0035 -0.0060 75  TRP B CD1 
1371 C CD2 . TRP B 61  ? 0.0799 0.2275 0.0776 0.0022  0.0079  -0.0215 75  TRP B CD2 
1372 N NE1 . TRP B 61  ? 0.1327 0.2283 0.1086 0.0029  0.0264  0.0049  75  TRP B NE1 
1373 C CE2 . TRP B 61  ? 0.1142 0.2281 0.0741 0.0004  0.0187  -0.0011 75  TRP B CE2 
1374 C CE3 . TRP B 61  ? 0.0681 0.2287 0.0928 -0.0060 0.0005  -0.0167 75  TRP B CE3 
1375 C CZ2 . TRP B 61  ? 0.1004 0.2302 0.0769 -0.0207 -0.0061 -0.0042 75  TRP B CZ2 
1376 C CZ3 . TRP B 61  ? 0.1303 0.2351 0.1096 -0.0192 -0.0267 -0.0009 75  TRP B CZ3 
1377 C CH2 . TRP B 61  ? 0.1054 0.2304 0.0878 -0.0314 -0.0259 -0.0128 75  TRP B CH2 
1378 N N   . THR B 62  ? 0.0915 0.2184 0.0613 0.0069  -0.0099 0.0069  76  THR B N   
1379 C CA  . THR B 62  ? 0.0651 0.2196 0.0819 -0.0049 -0.0033 0.0068  76  THR B CA  
1380 C C   . THR B 62  ? 0.0813 0.2301 0.0596 0.0116  0.0016  0.0010  76  THR B C   
1381 O O   . THR B 62  ? 0.0950 0.2351 0.0728 0.0030  -0.0019 -0.0107 76  THR B O   
1382 C CB  . THR B 62  ? 0.0762 0.2179 0.0901 0.0079  0.0029  -0.0001 76  THR B CB  
1383 O OG1 . THR B 62  ? 0.1155 0.2189 0.0851 0.0089  -0.0140 0.0124  76  THR B OG1 
1384 C CG2 . THR B 62  ? 0.0805 0.2237 0.1182 0.0169  0.0355  0.0106  76  THR B CG2 
1385 N N   . VAL B 63  ? 0.0643 0.2355 0.0855 0.0108  0.0083  -0.0003 77  VAL B N   
1386 C CA  . VAL B 63  ? 0.0683 0.2510 0.1104 0.0089  -0.0123 -0.0006 77  VAL B CA  
1387 C C   . VAL B 63  ? 0.0882 0.2679 0.1153 0.0118  -0.0074 -0.0341 77  VAL B C   
1388 O O   . VAL B 63  ? 0.0796 0.2770 0.1033 0.0072  -0.0082 -0.0353 77  VAL B O   
1389 C CB  . VAL B 63  ? 0.0769 0.2553 0.1191 0.0094  -0.0240 0.0015  77  VAL B CB  
1390 C CG1 . VAL B 63  ? 0.0995 0.2748 0.1318 0.0089  -0.0339 -0.0071 77  VAL B CG1 
1391 C CG2 . VAL B 63  ? 0.0938 0.2855 0.0992 0.0191  0.0186  -0.0008 77  VAL B CG2 
1392 N N   . ALA B 64  ? 0.0845 0.2575 0.1074 0.0195  0.0204  -0.0269 78  ALA B N   
1393 C CA  . ALA B 64  ? 0.0878 0.2674 0.1213 -0.0091 -0.0058 -0.0399 78  ALA B CA  
1394 C C   . ALA B 64  ? 0.0830 0.2710 0.1136 0.0001  0.0207  -0.0302 78  ALA B C   
1395 O O   . ALA B 64  ? 0.1064 0.2776 0.1171 0.0067  -0.0067 -0.0472 78  ALA B O   
1396 C CB  . ALA B 64  ? 0.1138 0.2739 0.1104 -0.0259 0.0231  -0.0430 78  ALA B CB  
1397 N N   . TRP B 65  ? 0.0741 0.2754 0.0911 0.0093  0.0058  -0.0198 79  TRP B N   
1398 C CA  . TRP B 65  ? 0.0736 0.2745 0.1071 0.0152  -0.0048 -0.0337 79  TRP B CA  
1399 C C   . TRP B 65  ? 0.0784 0.3011 0.1213 -0.0119 0.0045  -0.0125 79  TRP B C   
1400 O O   . TRP B 65  ? 0.0812 0.3124 0.1163 -0.0120 -0.0014 -0.0194 79  TRP B O   
1401 C CB  . TRP B 65  ? 0.0939 0.2725 0.1094 0.0050  -0.0052 -0.0429 79  TRP B CB  
1402 C CG  . TRP B 65  ? 0.0866 0.2646 0.1030 0.0133  0.0135  -0.0134 79  TRP B CG  
1403 C CD1 . TRP B 65  ? 0.0771 0.2630 0.1320 0.0322  0.0086  -0.0195 79  TRP B CD1 
1404 C CD2 . TRP B 65  ? 0.0975 0.2588 0.0929 0.0134  0.0140  0.0039  79  TRP B CD2 
1405 N NE1 . TRP B 65  ? 0.0778 0.2477 0.1089 0.0089  0.0244  -0.0058 79  TRP B NE1 
1406 C CE2 . TRP B 65  ? 0.0938 0.2564 0.1038 -0.0011 0.0155  -0.0061 79  TRP B CE2 
1407 C CE3 . TRP B 65  ? 0.1216 0.2631 0.1055 0.0230  0.0238  0.0021  79  TRP B CE3 
1408 C CZ2 . TRP B 65  ? 0.1418 0.2560 0.0968 0.0140  0.0226  0.0045  79  TRP B CZ2 
1409 C CZ3 . TRP B 65  ? 0.1298 0.2624 0.1131 0.0055  0.0070  -0.0014 79  TRP B CZ3 
1410 C CH2 . TRP B 65  ? 0.1494 0.2567 0.0992 0.0065  0.0193  0.0015  79  TRP B CH2 
1411 N N   . LYS B 66  ? 0.0833 0.3045 0.1232 -0.0004 -0.0136 -0.0263 80  LYS B N   
1412 C CA  . LYS B 66  ? 0.0861 0.3040 0.1413 -0.0166 -0.0173 -0.0241 80  LYS B CA  
1413 C C   . LYS B 66  ? 0.0871 0.3210 0.1148 -0.0278 0.0006  -0.0264 80  LYS B C   
1414 O O   . LYS B 66  ? 0.1075 0.3294 0.1068 -0.0497 0.0167  -0.0135 80  LYS B O   
1415 C CB  . LYS B 66  ? 0.0918 0.3240 0.1711 -0.0245 -0.0217 -0.0091 80  LYS B CB  
1416 C CG  . LYS B 66  ? 0.0996 0.3477 0.2142 -0.0295 -0.0292 0.0148  80  LYS B CG  
1417 C CD  . LYS B 66  ? 0.1645 0.3680 0.2466 -0.0341 -0.0352 0.0154  80  LYS B CD  
1418 C CE  . LYS B 66  ? 0.2464 0.3755 0.2923 -0.0635 -0.0152 0.0192  80  LYS B CE  
1419 N NZ  . LYS B 66  ? 0.2562 0.3827 0.3018 -0.0789 -0.0431 0.0301  80  LYS B NZ  
1420 N N   . ASN B 67  ? 0.0984 0.3543 0.1089 -0.0163 -0.0102 -0.0114 81  ASN B N   
1421 C CA  . ASN B 67  ? 0.1145 0.3692 0.1100 -0.0033 -0.0163 -0.0222 81  ASN B CA  
1422 C C   . ASN B 67  ? 0.1200 0.3771 0.1438 -0.0007 -0.0309 -0.0346 81  ASN B C   
1423 O O   . ASN B 67  ? 0.1660 0.3984 0.1644 -0.0404 -0.0169 -0.0408 81  ASN B O   
1424 C CB  . ASN B 67  ? 0.1456 0.3561 0.0919 0.0023  -0.0013 -0.0153 81  ASN B CB  
1425 C CG  . ASN B 67  ? 0.1262 0.3746 0.1146 0.0344  -0.0031 -0.0045 81  ASN B CG  
1426 O OD1 . ASN B 67  ? 0.1393 0.3833 0.1501 0.0421  -0.0031 -0.0115 81  ASN B OD1 
1427 N ND2 . ASN B 67  ? 0.1476 0.3739 0.1216 0.0340  -0.0298 0.0048  81  ASN B ND2 
1428 N N   . ASN B 68  ? 0.1454 0.4112 0.1607 0.0081  -0.0454 -0.0360 82  ASN B N   
1429 C CA  . ASN B 68  ? 0.1864 0.4330 0.1877 0.0072  -0.0714 -0.0493 82  ASN B CA  
1430 C C   . ASN B 68  ? 0.1861 0.4601 0.2214 0.0177  -0.0820 -0.0413 82  ASN B C   
1431 O O   . ASN B 68  ? 0.1799 0.4685 0.2606 -0.0015 -0.0873 -0.0485 82  ASN B O   
1432 C CB  . ASN B 68  ? 0.2363 0.4569 0.2196 -0.0120 -0.0832 -0.0791 82  ASN B CB  
1433 C CG  . ASN B 68  ? 0.3551 0.4666 0.2782 -0.0190 -0.0433 -0.0697 82  ASN B CG  
1434 O OD1 . ASN B 68  ? 0.4304 0.4705 0.3199 -0.0188 0.0088  -0.0700 82  ASN B OD1 
1435 N ND2 . ASN B 68  ? 0.3803 0.4707 0.3188 -0.0141 -0.0343 -0.0702 82  ASN B ND2 
1436 N N   . TYR B 69  ? 0.1703 0.4781 0.1958 0.0390  -0.0561 -0.0409 83  TYR B N   
1437 C CA  . TYR B 69  ? 0.1995 0.4829 0.1926 0.0516  -0.0291 -0.0122 83  TYR B CA  
1438 C C   . TYR B 69  ? 0.1752 0.4684 0.1938 0.0499  -0.0019 -0.0072 83  TYR B C   
1439 O O   . TYR B 69  ? 0.1744 0.4720 0.2264 0.0594  -0.0292 -0.0044 83  TYR B O   
1440 C CB  . TYR B 69  ? 0.2461 0.4986 0.1997 0.0409  -0.0376 0.0071  83  TYR B CB  
1441 C CG  . TYR B 69  ? 0.2869 0.5106 0.1900 0.0315  -0.0460 0.0150  83  TYR B CG  
1442 C CD1 . TYR B 69  ? 0.3284 0.5188 0.2014 0.0315  -0.0363 0.0186  83  TYR B CD1 
1443 C CD2 . TYR B 69  ? 0.3124 0.5158 0.1842 0.0264  -0.0138 0.0152  83  TYR B CD2 
1444 C CE1 . TYR B 69  ? 0.3525 0.5249 0.1969 0.0226  -0.0267 0.0156  83  TYR B CE1 
1445 C CE2 . TYR B 69  ? 0.3404 0.5222 0.1778 0.0149  -0.0367 0.0110  83  TYR B CE2 
1446 C CZ  . TYR B 69  ? 0.3618 0.5282 0.1888 0.0117  -0.0221 0.0044  83  TYR B CZ  
1447 O OH  . TYR B 69  ? 0.3972 0.5356 0.1991 0.0023  -0.0178 -0.0160 83  TYR B OH  
1448 N N   . ARG B 70  ? 0.1488 0.4486 0.1469 0.0313  -0.0183 0.0044  84  ARG B N   
1449 C CA  . ARG B 70  ? 0.1677 0.4272 0.1606 0.0201  -0.0181 0.0025  84  ARG B CA  
1450 C C   . ARG B 70  ? 0.1250 0.4021 0.1580 0.0265  -0.0333 -0.0040 84  ARG B C   
1451 O O   . ARG B 70  ? 0.1142 0.4090 0.1561 0.0390  -0.0138 0.0035  84  ARG B O   
1452 C CB  . ARG B 70  ? 0.2691 0.4256 0.2348 0.0127  -0.0398 0.0151  84  ARG B CB  
1453 C CG  . ARG B 70  ? 0.3472 0.4278 0.3093 -0.0090 -0.0138 0.0202  84  ARG B CG  
1454 C CD  . ARG B 70  ? 0.4154 0.4324 0.3748 -0.0240 -0.0067 0.0289  84  ARG B CD  
1455 N NE  . ARG B 70  ? 0.4837 0.4341 0.4396 -0.0306 -0.0083 0.0361  84  ARG B NE  
1456 C CZ  . ARG B 70  ? 0.5205 0.4347 0.4912 -0.0422 -0.0003 0.0425  84  ARG B CZ  
1457 N NH1 . ARG B 70  ? 0.5417 0.4366 0.5185 -0.0515 0.0112  0.0376  84  ARG B NH1 
1458 N NH2 . ARG B 70  ? 0.5440 0.4366 0.5182 -0.0399 -0.0001 0.0419  84  ARG B NH2 
1459 N N   . ASN B 71  ? 0.0931 0.3616 0.1493 0.0087  -0.0057 -0.0058 85  ASN B N   
1460 C CA  . ASN B 71  ? 0.0918 0.3425 0.1284 0.0125  -0.0123 -0.0014 85  ASN B CA  
1461 C C   . ASN B 71  ? 0.0896 0.3466 0.1425 0.0153  -0.0020 0.0045  85  ASN B C   
1462 O O   . ASN B 71  ? 0.0889 0.3448 0.1620 -0.0059 0.0070  -0.0127 85  ASN B O   
1463 C CB  . ASN B 71  ? 0.0971 0.3436 0.1249 0.0013  0.0188  0.0051  85  ASN B CB  
1464 C CG  . ASN B 71  ? 0.0876 0.3276 0.1369 0.0013  0.0138  0.0160  85  ASN B CG  
1465 O OD1 . ASN B 71  ? 0.0952 0.3495 0.1537 0.0050  -0.0167 0.0287  85  ASN B OD1 
1466 N ND2 . ASN B 71  ? 0.0993 0.3442 0.1446 -0.0106 0.0239  0.0146  85  ASN B ND2 
1467 N N   . ALA B 72  ? 0.1011 0.3377 0.1300 0.0024  -0.0251 0.0111  86  ALA B N   
1468 C CA  . ALA B 72  ? 0.0887 0.3276 0.1378 -0.0047 0.0154  0.0152  86  ALA B CA  
1469 C C   . ALA B 72  ? 0.0936 0.3372 0.1392 -0.0092 0.0120  0.0080  86  ALA B C   
1470 O O   . ALA B 72  ? 0.1123 0.3524 0.1393 -0.0090 -0.0009 -0.0172 86  ALA B O   
1471 C CB  . ALA B 72  ? 0.1155 0.3355 0.1477 -0.0224 0.0267  0.0200  86  ALA B CB  
1472 N N   . HIS B 73  ? 0.0826 0.3176 0.1437 -0.0056 0.0087  0.0066  87  HIS B N   
1473 C CA  . HIS B 73  ? 0.0790 0.3071 0.1177 -0.0003 -0.0035 0.0129  87  HIS B CA  
1474 C C   . HIS B 73  ? 0.0794 0.3034 0.1397 -0.0088 0.0088  -0.0126 87  HIS B C   
1475 O O   . HIS B 73  ? 0.0991 0.3280 0.1325 -0.0114 0.0139  -0.0242 87  HIS B O   
1476 C CB  . HIS B 73  ? 0.0764 0.2961 0.1477 -0.0060 0.0056  0.0002  87  HIS B CB  
1477 C CG  . HIS B 73  ? 0.0844 0.3226 0.1264 -0.0122 0.0076  -0.0074 87  HIS B CG  
1478 N ND1 . HIS B 73  ? 0.0890 0.3371 0.1300 -0.0143 -0.0077 -0.0155 87  HIS B ND1 
1479 C CD2 . HIS B 73  ? 0.0859 0.3298 0.1340 -0.0146 -0.0052 -0.0067 87  HIS B CD2 
1480 C CE1 . HIS B 73  ? 0.0895 0.3285 0.1347 -0.0069 0.0165  0.0007  87  HIS B CE1 
1481 N NE2 . HIS B 73  ? 0.0870 0.3324 0.1654 -0.0143 0.0093  -0.0104 87  HIS B NE2 
1482 N N   . SER B 74  ? 0.0706 0.2745 0.1234 -0.0057 -0.0018 -0.0042 88  SER B N   
1483 C CA  . SER B 74  ? 0.0722 0.2767 0.1373 -0.0018 0.0056  -0.0218 88  SER B CA  
1484 C C   . SER B 74  ? 0.0915 0.2668 0.1141 0.0034  0.0317  -0.0116 88  SER B C   
1485 O O   . SER B 74  ? 0.0996 0.2626 0.0983 -0.0206 0.0298  -0.0236 88  SER B O   
1486 C CB  . SER B 74  ? 0.0890 0.3053 0.1251 0.0050  0.0155  -0.0253 88  SER B CB  
1487 O OG  . SER B 74  ? 0.1669 0.2956 0.1232 0.0172  0.0310  -0.0049 88  SER B OG  
1488 N N   . ALA B 75  ? 0.0699 0.2550 0.1224 -0.0001 0.0149  -0.0153 89  ALA B N   
1489 C CA  . ALA B 75  ? 0.0603 0.2329 0.1275 0.0034  0.0031  -0.0064 89  ALA B CA  
1490 C C   . ALA B 75  ? 0.0799 0.2243 0.1058 0.0084  0.0319  -0.0031 89  ALA B C   
1491 O O   . ALA B 75  ? 0.1054 0.2540 0.0949 -0.0016 0.0339  -0.0121 89  ALA B O   
1492 C CB  . ALA B 75  ? 0.0798 0.2729 0.1197 -0.0098 -0.0090 -0.0054 89  ALA B CB  
1493 N N   . THR B 76  ? 0.0611 0.2321 0.0867 0.0116  -0.0023 -0.0125 90  THR B N   
1494 C CA  . THR B 76  ? 0.0601 0.2107 0.0916 0.0210  -0.0080 0.0057  90  THR B CA  
1495 C C   . THR B 76  ? 0.0691 0.2174 0.0778 0.0129  0.0143  -0.0075 90  THR B C   
1496 O O   . THR B 76  ? 0.1145 0.2170 0.0729 0.0025  0.0159  -0.0217 90  THR B O   
1497 C CB  . THR B 76  ? 0.0730 0.2249 0.1010 0.0059  0.0138  -0.0019 90  THR B CB  
1498 O OG1 . THR B 76  ? 0.0830 0.2353 0.1148 0.0198  0.0213  -0.0259 90  THR B OG1 
1499 C CG2 . THR B 76  ? 0.0882 0.2207 0.1253 0.0056  0.0065  -0.0058 90  THR B CG2 
1500 N N   . THR B 77  ? 0.0831 0.2195 0.0772 0.0057  -0.0200 -0.0049 91  THR B N   
1501 C CA  . THR B 77  ? 0.0718 0.2361 0.0777 0.0086  -0.0023 -0.0142 91  THR B CA  
1502 C C   . THR B 77  ? 0.0693 0.2307 0.0774 -0.0093 0.0023  -0.0303 91  THR B C   
1503 O O   . THR B 77  ? 0.1267 0.2357 0.1034 -0.0170 0.0374  -0.0546 91  THR B O   
1504 C CB  . THR B 77  ? 0.0981 0.2466 0.0742 0.0009  -0.0180 -0.0147 91  THR B CB  
1505 O OG1 . THR B 77  ? 0.1088 0.2748 0.0909 -0.0067 -0.0016 -0.0177 91  THR B OG1 
1506 C CG2 . THR B 77  ? 0.1355 0.2553 0.1082 -0.0157 -0.0048 -0.0115 91  THR B CG2 
1507 N N   . TRP B 78  ? 0.0587 0.2185 0.0893 0.0105  0.0071  0.0053  92  TRP B N   
1508 C CA  . TRP B 78  ? 0.0851 0.2217 0.0787 0.0002  0.0244  0.0045  92  TRP B CA  
1509 C C   . TRP B 78  ? 0.0730 0.2092 0.0821 -0.0005 0.0227  0.0087  92  TRP B C   
1510 O O   . TRP B 78  ? 0.0636 0.2090 0.0868 0.0189  0.0022  -0.0008 92  TRP B O   
1511 C CB  . TRP B 78  ? 0.0875 0.2430 0.0890 0.0040  -0.0112 0.0019  92  TRP B CB  
1512 C CG  . TRP B 78  ? 0.0731 0.2478 0.0693 0.0271  0.0009  -0.0067 92  TRP B CG  
1513 C CD1 . TRP B 78  ? 0.1225 0.2332 0.0645 0.0171  0.0147  -0.0033 92  TRP B CD1 
1514 C CD2 . TRP B 78  ? 0.0817 0.2360 0.0634 0.0109  -0.0071 -0.0040 92  TRP B CD2 
1515 N NE1 . TRP B 78  ? 0.1054 0.2483 0.0712 0.0107  -0.0135 0.0161  92  TRP B NE1 
1516 C CE2 . TRP B 78  ? 0.0679 0.2414 0.0767 0.0084  0.0087  -0.0018 92  TRP B CE2 
1517 C CE3 . TRP B 78  ? 0.0639 0.2444 0.0817 0.0093  -0.0019 -0.0152 92  TRP B CE3 
1518 C CZ2 . TRP B 78  ? 0.0854 0.2579 0.0935 0.0100  0.0225  0.0026  92  TRP B CZ2 
1519 C CZ3 . TRP B 78  ? 0.0660 0.2363 0.1071 0.0126  0.0126  -0.0102 92  TRP B CZ3 
1520 C CH2 . TRP B 78  ? 0.1035 0.2655 0.1077 0.0143  0.0117  -0.0178 92  TRP B CH2 
1521 N N   . SER B 79  ? 0.0694 0.2163 0.0670 -0.0044 0.0117  0.0080  93  SER B N   
1522 C CA  . SER B 79  ? 0.0880 0.2251 0.0620 -0.0126 0.0087  0.0091  93  SER B CA  
1523 C C   . SER B 79  ? 0.0763 0.2152 0.0679 0.0165  0.0148  0.0001  93  SER B C   
1524 O O   . SER B 79  ? 0.0962 0.2120 0.0995 0.0209  0.0121  -0.0190 93  SER B O   
1525 C CB  . SER B 79  ? 0.0814 0.2478 0.0685 -0.0024 -0.0084 0.0115  93  SER B CB  
1526 O OG  . SER B 79  ? 0.0902 0.2679 0.1064 0.0172  0.0014  0.0206  93  SER B OG  
1527 N N   . GLY B 80  ? 0.0806 0.2152 0.0720 0.0017  0.0168  0.0249  94  GLY B N   
1528 C CA  . GLY B 80  ? 0.0830 0.2193 0.0997 -0.0006 0.0337  0.0028  94  GLY B CA  
1529 C C   . GLY B 80  ? 0.0654 0.2349 0.0810 -0.0066 0.0096  0.0021  94  GLY B C   
1530 O O   . GLY B 80  ? 0.1268 0.2320 0.0802 0.0076  0.0101  0.0103  94  GLY B O   
1531 N N   . GLN B 81  ? 0.0863 0.2369 0.0972 -0.0101 0.0284  0.0131  95  GLN B N   
1532 C CA  . GLN B 81  ? 0.0917 0.2428 0.1070 -0.0005 0.0361  0.0020  95  GLN B CA  
1533 C C   . GLN B 81  ? 0.1134 0.2694 0.1117 0.0007  0.0434  0.0055  95  GLN B C   
1534 O O   . GLN B 81  ? 0.1053 0.2865 0.1113 -0.0008 0.0344  -0.0115 95  GLN B O   
1535 C CB  . GLN B 81  ? 0.1183 0.3016 0.1695 0.0240  0.0164  -0.0369 95  GLN B CB  
1536 C CG  . GLN B 81  ? 0.1029 0.3055 0.1968 0.0255  0.0054  -0.0538 95  GLN B CG  
1537 C CD  . GLN B 81  ? 0.1249 0.3032 0.1628 0.0375  0.0043  -0.0612 95  GLN B CD  
1538 O OE1 . GLN B 81  ? 0.1436 0.3041 0.1437 0.0391  0.0060  -0.0489 95  GLN B OE1 
1539 N NE2 . GLN B 81  ? 0.1561 0.3086 0.1562 0.0427  0.0040  -0.0475 95  GLN B NE2 
1540 N N   . TYR B 82  ? 0.1151 0.2782 0.0901 -0.0024 0.0277  0.0134  96  TYR B N   
1541 C CA  . TYR B 82  ? 0.1186 0.2784 0.0871 0.0053  0.0261  0.0161  96  TYR B CA  
1542 C C   . TYR B 82  ? 0.1170 0.3185 0.0979 0.0052  0.0087  0.0258  96  TYR B C   
1543 O O   . TYR B 82  ? 0.1399 0.3112 0.0955 0.0070  0.0112  0.0225  96  TYR B O   
1544 C CB  . TYR B 82  ? 0.1000 0.3049 0.1019 0.0151  0.0224  0.0068  96  TYR B CB  
1545 C CG  . TYR B 82  ? 0.1236 0.3222 0.1059 0.0352  0.0284  0.0068  96  TYR B CG  
1546 C CD1 . TYR B 82  ? 0.1666 0.3376 0.0916 0.0163  0.0201  0.0043  96  TYR B CD1 
1547 C CD2 . TYR B 82  ? 0.1457 0.3364 0.1193 0.0526  0.0373  0.0030  96  TYR B CD2 
1548 C CE1 . TYR B 82  ? 0.1534 0.3619 0.1197 0.0193  0.0294  -0.0076 96  TYR B CE1 
1549 C CE2 . TYR B 82  ? 0.1582 0.3508 0.1115 0.0375  0.0359  0.0054  96  TYR B CE2 
1550 C CZ  . TYR B 82  ? 0.1400 0.3612 0.1021 0.0082  0.0218  0.0060  96  TYR B CZ  
1551 O OH  . TYR B 82  ? 0.2321 0.3769 0.1280 -0.0143 0.0654  -0.0053 96  TYR B OH  
1552 N N   . VAL B 83  ? 0.0938 0.3241 0.1313 -0.0128 0.0192  0.0252  97  VAL B N   
1553 C CA  . VAL B 83  ? 0.1054 0.3745 0.1758 -0.0023 -0.0072 0.0536  97  VAL B CA  
1554 C C   . VAL B 83  ? 0.1208 0.3794 0.1955 0.0149  0.0358  0.0826  97  VAL B C   
1555 O O   . VAL B 83  ? 0.1560 0.3677 0.1952 0.0282  0.0592  0.0977  97  VAL B O   
1556 C CB  . VAL B 83  ? 0.1736 0.3827 0.2286 -0.0419 0.0149  0.0433  97  VAL B CB  
1557 C CG1 . VAL B 83  ? 0.2092 0.3928 0.2726 -0.0415 0.0358  0.0336  97  VAL B CG1 
1558 C CG2 . VAL B 83  ? 0.2207 0.3861 0.2338 -0.0539 -0.0262 0.0336  97  VAL B CG2 
1559 N N   . GLY B 84  ? 0.1443 0.3894 0.2336 0.0190  0.0574  0.1002  98  GLY B N   
1560 C CA  . GLY B 84  ? 0.1832 0.4019 0.2621 0.0108  0.0853  0.1063  98  GLY B CA  
1561 C C   . GLY B 84  ? 0.2380 0.4284 0.2824 -0.0024 0.1091  0.1135  98  GLY B C   
1562 O O   . GLY B 84  ? 0.3122 0.4400 0.3360 -0.0279 0.1365  0.1044  98  GLY B O   
1563 N N   . GLY B 85  ? 0.2628 0.4297 0.2890 0.0082  0.0944  0.1260  99  GLY B N   
1564 C CA  . GLY B 85  ? 0.2492 0.4300 0.2900 0.0021  0.0850  0.1221  99  GLY B CA  
1565 C C   . GLY B 85  ? 0.2371 0.4266 0.2725 0.0008  0.0849  0.1297  99  GLY B C   
1566 O O   . GLY B 85  ? 0.2330 0.4377 0.2640 0.0200  0.0856  0.1108  99  GLY B O   
1567 N N   . ALA B 86  ? 0.2478 0.4139 0.2804 -0.0082 0.0663  0.1419  100 ALA B N   
1568 C CA  . ALA B 86  ? 0.2875 0.4021 0.2954 -0.0266 0.0782  0.1437  100 ALA B CA  
1569 C C   . ALA B 86  ? 0.3272 0.3934 0.3063 -0.0283 0.0709  0.1166  100 ALA B C   
1570 O O   . ALA B 86  ? 0.3859 0.3974 0.3219 -0.0258 0.0798  0.1185  100 ALA B O   
1571 C CB  . ALA B 86  ? 0.2996 0.3981 0.3062 -0.0400 0.0843  0.1630  100 ALA B CB  
1572 N N   . GLU B 87  ? 0.2999 0.3767 0.2819 -0.0565 0.0817  0.0957  101 GLU B N   
1573 C CA  . GLU B 87  ? 0.3091 0.3635 0.2861 -0.0567 0.1007  0.0626  101 GLU B CA  
1574 C C   . GLU B 87  ? 0.2245 0.3496 0.2443 -0.0413 0.0720  0.0526  101 GLU B C   
1575 O O   . GLU B 87  ? 0.2402 0.3507 0.2550 -0.0328 0.0323  0.0371  101 GLU B O   
1576 C CB  . GLU B 87  ? 0.3481 0.3673 0.3278 -0.0637 0.1060  0.0453  101 GLU B CB  
1577 C CG  . GLU B 87  ? 0.3649 0.3683 0.3704 -0.0506 0.1141  0.0253  101 GLU B CG  
1578 C CD  . GLU B 87  ? 0.3839 0.3695 0.4095 -0.0405 0.1217  0.0125  101 GLU B CD  
1579 O OE1 . GLU B 87  ? 0.3895 0.3705 0.4228 -0.0299 0.1339  0.0084  101 GLU B OE1 
1580 O OE2 . GLU B 87  ? 0.3900 0.3696 0.4252 -0.0398 0.1212  0.0080  101 GLU B OE2 
1581 N N   . ALA B 88  ? 0.1879 0.3369 0.2088 -0.0226 0.0791  0.0506  102 ALA B N   
1582 C CA  . ALA B 88  ? 0.1783 0.3219 0.1535 -0.0111 0.0712  0.0445  102 ALA B CA  
1583 C C   . ALA B 88  ? 0.1592 0.3033 0.1439 -0.0099 0.0353  0.0574  102 ALA B C   
1584 O O   . ALA B 88  ? 0.1637 0.3065 0.1327 0.0050  0.0295  0.0648  102 ALA B O   
1585 C CB  . ALA B 88  ? 0.1973 0.3219 0.1410 -0.0048 0.0752  0.0369  102 ALA B CB  
1586 N N   . ARG B 89  ? 0.1376 0.2799 0.1190 -0.0233 0.0325  0.0472  103 ARG B N   
1587 C CA  . ARG B 89  ? 0.1550 0.2711 0.1134 -0.0167 0.0559  0.0231  103 ARG B CA  
1588 C C   . ARG B 89  ? 0.0834 0.2475 0.1140 0.0074  0.0311  0.0126  103 ARG B C   
1589 O O   . ARG B 89  ? 0.1304 0.2555 0.1601 0.0386  0.0414  0.0442  103 ARG B O   
1590 C CB  . ARG B 89  ? 0.2560 0.2880 0.1708 -0.0223 0.0799  0.0022  103 ARG B CB  
1591 C CG  . ARG B 89  ? 0.2646 0.2959 0.2306 -0.0320 0.0711  0.0034  103 ARG B CG  
1592 C CD  . ARG B 89  ? 0.2607 0.3029 0.2913 -0.0478 0.0618  0.0081  103 ARG B CD  
1593 N NE  . ARG B 89  ? 0.2601 0.3063 0.3382 -0.0428 0.0274  0.0116  103 ARG B NE  
1594 C CZ  . ARG B 89  ? 0.2994 0.3069 0.3619 -0.0295 0.0046  0.0123  103 ARG B CZ  
1595 N NH1 . ARG B 89  ? 0.2699 0.3046 0.3546 -0.0183 -0.0118 0.0193  103 ARG B NH1 
1596 N NH2 . ARG B 89  ? 0.3572 0.3147 0.3990 -0.0251 0.0104  0.0061  103 ARG B NH2 
1597 N N   . ILE B 90  ? 0.0901 0.2477 0.0857 0.0040  0.0235  0.0131  104 ILE B N   
1598 C CA  . ILE B 90  ? 0.1022 0.2450 0.0906 0.0046  0.0302  0.0254  104 ILE B CA  
1599 C C   . ILE B 90  ? 0.0898 0.2448 0.0949 -0.0004 0.0143  0.0097  104 ILE B C   
1600 O O   . ILE B 90  ? 0.1077 0.2394 0.1148 0.0029  0.0241  0.0085  104 ILE B O   
1601 C CB  . ILE B 90  ? 0.1445 0.2469 0.1029 0.0082  0.0552  0.0149  104 ILE B CB  
1602 C CG1 . ILE B 90  ? 0.1324 0.2499 0.1101 0.0097  0.0315  0.0017  104 ILE B CG1 
1603 C CG2 . ILE B 90  ? 0.1891 0.2480 0.1160 0.0004  0.0785  0.0148  104 ILE B CG2 
1604 C CD1 . ILE B 90  ? 0.1631 0.2532 0.1382 -0.0044 -0.0109 -0.0047 104 ILE B CD1 
1605 N N   . ASN B 91  ? 0.1084 0.2461 0.1012 0.0011  0.0158  0.0151  105 ASN B N   
1606 C CA  . ASN B 91  ? 0.1029 0.2426 0.0981 -0.0174 0.0149  0.0195  105 ASN B CA  
1607 C C   . ASN B 91  ? 0.1020 0.2385 0.0913 -0.0137 0.0254  0.0095  105 ASN B C   
1608 O O   . ASN B 91  ? 0.1257 0.2259 0.1071 0.0103  0.0231  0.0049  105 ASN B O   
1609 C CB  . ASN B 91  ? 0.1392 0.2596 0.1296 -0.0520 -0.0031 0.0155  105 ASN B CB  
1610 C CG  . ASN B 91  ? 0.1519 0.2772 0.1909 -0.0459 -0.0391 0.0350  105 ASN B CG  
1611 O OD1 . ASN B 91  ? 0.1791 0.2844 0.2519 -0.0212 -0.0005 0.0623  105 ASN B OD1 
1612 N ND2 . ASN B 91  ? 0.1670 0.2882 0.2104 -0.0656 -0.0303 0.0299  105 ASN B ND2 
1613 N N   . THR B 92  ? 0.0761 0.2274 0.0633 -0.0102 0.0076  0.0088  106 THR B N   
1614 C CA  . THR B 92  ? 0.0943 0.2395 0.0680 0.0023  0.0084  -0.0016 106 THR B CA  
1615 C C   . THR B 92  ? 0.0920 0.2442 0.0933 0.0114  -0.0041 0.0058  106 THR B C   
1616 O O   . THR B 92  ? 0.0878 0.2420 0.0995 0.0203  -0.0011 -0.0063 106 THR B O   
1617 C CB  . THR B 92  ? 0.1068 0.2289 0.1021 0.0159  -0.0113 -0.0066 106 THR B CB  
1618 O OG1 . THR B 92  ? 0.1254 0.2178 0.0957 0.0070  -0.0065 -0.0002 106 THR B OG1 
1619 C CG2 . THR B 92  ? 0.1312 0.2198 0.0912 0.0136  0.0246  -0.0289 106 THR B CG2 
1620 N N   . GLN B 93  ? 0.0728 0.2474 0.0727 0.0130  0.0082  0.0202  107 GLN B N   
1621 C CA  . GLN B 93  ? 0.0942 0.2646 0.0763 0.0060  -0.0098 -0.0049 107 GLN B CA  
1622 C C   . GLN B 93  ? 0.0758 0.2465 0.0743 -0.0006 0.0074  0.0020  107 GLN B C   
1623 O O   . GLN B 93  ? 0.0808 0.2363 0.1221 0.0074  0.0057  -0.0308 107 GLN B O   
1624 C CB  . GLN B 93  ? 0.0907 0.2681 0.0789 -0.0095 -0.0132 -0.0124 107 GLN B CB  
1625 C CG  . GLN B 93  ? 0.1181 0.2879 0.0919 -0.0328 -0.0038 -0.0199 107 GLN B CG  
1626 C CD  . GLN B 93  ? 0.1264 0.2937 0.0781 -0.0070 -0.0037 -0.0158 107 GLN B CD  
1627 O OE1 . GLN B 93  ? 0.1523 0.3089 0.1108 0.0108  -0.0002 -0.0348 107 GLN B OE1 
1628 N NE2 . GLN B 93  ? 0.1189 0.2882 0.0983 -0.0122 0.0190  -0.0004 107 GLN B NE2 
1629 N N   . TRP B 94  ? 0.0656 0.2401 0.0684 0.0039  0.0030  0.0251  108 TRP B N   
1630 C CA  . TRP B 94  ? 0.0617 0.2348 0.0635 0.0064  0.0018  0.0095  108 TRP B CA  
1631 C C   . TRP B 94  ? 0.0638 0.2423 0.0812 -0.0050 0.0048  -0.0103 108 TRP B C   
1632 O O   . TRP B 94  ? 0.0852 0.2406 0.0732 0.0064  0.0160  -0.0023 108 TRP B O   
1633 C CB  . TRP B 94  ? 0.0870 0.2437 0.0729 0.0199  0.0074  -0.0011 108 TRP B CB  
1634 C CG  . TRP B 94  ? 0.1271 0.2195 0.0594 0.0083  0.0127  0.0076  108 TRP B CG  
1635 C CD1 . TRP B 94  ? 0.1134 0.2376 0.0787 -0.0004 -0.0023 -0.0115 108 TRP B CD1 
1636 C CD2 . TRP B 94  ? 0.1157 0.2332 0.0685 -0.0017 0.0076  0.0001  108 TRP B CD2 
1637 N NE1 . TRP B 94  ? 0.1117 0.2371 0.1200 0.0197  0.0264  -0.0051 108 TRP B NE1 
1638 C CE2 . TRP B 94  ? 0.1004 0.2349 0.0985 0.0123  0.0100  -0.0055 108 TRP B CE2 
1639 C CE3 . TRP B 94  ? 0.1237 0.2292 0.0824 -0.0058 0.0157  -0.0060 108 TRP B CE3 
1640 C CZ2 . TRP B 94  ? 0.1027 0.2357 0.1044 0.0046  0.0062  -0.0034 108 TRP B CZ2 
1641 C CZ3 . TRP B 94  ? 0.1060 0.2306 0.0926 -0.0005 -0.0131 -0.0001 108 TRP B CZ3 
1642 C CH2 . TRP B 94  ? 0.1074 0.2288 0.1029 -0.0080 -0.0117 -0.0125 108 TRP B CH2 
1643 N N   . LEU B 95  ? 0.0849 0.2416 0.0907 -0.0129 0.0246  0.0015  109 LEU B N   
1644 C CA  . LEU B 95  ? 0.0696 0.2332 0.0907 -0.0026 0.0163  0.0136  109 LEU B CA  
1645 C C   . LEU B 95  ? 0.0681 0.2423 0.1013 -0.0010 0.0146  -0.0113 109 LEU B C   
1646 O O   . LEU B 95  ? 0.1295 0.2539 0.1041 0.0231  -0.0031 -0.0408 109 LEU B O   
1647 C CB  . LEU B 95  ? 0.0781 0.2401 0.1098 0.0118  0.0271  0.0137  109 LEU B CB  
1648 C CG  . LEU B 95  ? 0.0975 0.2592 0.0949 -0.0110 0.0014  0.0129  109 LEU B CG  
1649 C CD1 . LEU B 95  ? 0.1213 0.2684 0.1155 -0.0086 0.0221  0.0397  109 LEU B CD1 
1650 C CD2 . LEU B 95  ? 0.1548 0.2658 0.0981 -0.0071 -0.0179 -0.0059 109 LEU B CD2 
1651 N N   . LEU B 96  ? 0.0806 0.2478 0.0874 -0.0006 0.0182  0.0213  110 LEU B N   
1652 C CA  . LEU B 96  ? 0.0661 0.2515 0.1145 -0.0020 -0.0080 0.0116  110 LEU B CA  
1653 C C   . LEU B 96  ? 0.0705 0.2484 0.0841 -0.0101 0.0105  0.0071  110 LEU B C   
1654 O O   . LEU B 96  ? 0.0964 0.2596 0.0991 -0.0111 0.0258  -0.0111 110 LEU B O   
1655 C CB  . LEU B 96  ? 0.0965 0.2628 0.1245 0.0020  -0.0079 -0.0091 110 LEU B CB  
1656 C CG  . LEU B 96  ? 0.1024 0.2753 0.1174 0.0134  -0.0131 0.0026  110 LEU B CG  
1657 C CD1 . LEU B 96  ? 0.1104 0.2842 0.1312 0.0077  0.0042  -0.0144 110 LEU B CD1 
1658 C CD2 . LEU B 96  ? 0.1187 0.2808 0.1676 0.0190  -0.0087 0.0199  110 LEU B CD2 
1659 N N   . THR B 97  ? 0.0894 0.2555 0.0916 -0.0405 0.0091  -0.0075 111 THR B N   
1660 C CA  . THR B 97  ? 0.0732 0.2695 0.1069 -0.0077 0.0112  0.0090  111 THR B CA  
1661 C C   . THR B 97  ? 0.0765 0.2779 0.0956 -0.0067 0.0111  -0.0101 111 THR B C   
1662 O O   . THR B 97  ? 0.1122 0.2974 0.1045 -0.0027 0.0287  -0.0300 111 THR B O   
1663 C CB  . THR B 97  ? 0.0852 0.2685 0.1039 -0.0136 0.0171  0.0141  111 THR B CB  
1664 O OG1 . THR B 97  ? 0.1073 0.2743 0.1287 -0.0062 0.0071  0.0112  111 THR B OG1 
1665 C CG2 . THR B 97  ? 0.1252 0.2700 0.1168 -0.0226 0.0154  0.0180  111 THR B CG2 
1666 N N   . SER B 98  ? 0.0794 0.3019 0.1181 -0.0113 0.0065  -0.0237 112 SER B N   
1667 C CA  . SER B 98  ? 0.0922 0.2978 0.1256 -0.0084 0.0254  -0.0347 112 SER B CA  
1668 C C   . SER B 98  ? 0.1077 0.3179 0.1135 -0.0191 0.0274  -0.0304 112 SER B C   
1669 O O   . SER B 98  ? 0.1127 0.3433 0.1107 -0.0315 -0.0064 -0.0188 112 SER B O   
1670 C CB  . SER B 98  ? 0.0955 0.3297 0.1621 0.0064  0.0251  -0.0343 112 SER B CB  
1671 O OG  . SER B 98  ? 0.1082 0.3495 0.1811 -0.0148 0.0250  -0.0267 112 SER B OG  
1672 N N   . GLY B 99  ? 0.1048 0.3331 0.1313 -0.0386 0.0254  -0.0315 113 GLY B N   
1673 C CA  . GLY B 99  ? 0.1146 0.3398 0.1377 -0.0381 0.0333  -0.0401 113 GLY B CA  
1674 C C   . GLY B 99  ? 0.1351 0.3459 0.1509 -0.0254 0.0522  -0.0247 113 GLY B C   
1675 O O   . GLY B 99  ? 0.1399 0.3662 0.1712 -0.0147 0.0568  -0.0080 113 GLY B O   
1676 N N   . THR B 100 ? 0.1311 0.3440 0.1300 -0.0388 0.0396  -0.0265 114 THR B N   
1677 C CA  . THR B 100 ? 0.1443 0.3581 0.1470 -0.0366 0.0508  -0.0346 114 THR B CA  
1678 C C   . THR B 100 ? 0.1517 0.3648 0.1446 -0.0380 0.0507  -0.0418 114 THR B C   
1679 O O   . THR B 100 ? 0.1618 0.3750 0.1483 -0.0433 0.0406  -0.0279 114 THR B O   
1680 C CB  . THR B 100 ? 0.1443 0.3607 0.1777 -0.0320 0.0459  -0.0477 114 THR B CB  
1681 O OG1 . THR B 100 ? 0.1259 0.3643 0.1960 -0.0218 0.0239  -0.0558 114 THR B OG1 
1682 C CG2 . THR B 100 ? 0.1527 0.3541 0.2028 -0.0529 0.0362  -0.0360 114 THR B CG2 
1683 N N   . THR B 101 ? 0.1376 0.3626 0.1667 -0.0551 0.0498  -0.0370 115 THR B N   
1684 C CA  . THR B 101 ? 0.1834 0.3949 0.1907 -0.0538 0.0771  -0.0337 115 THR B CA  
1685 C C   . THR B 101 ? 0.2529 0.3938 0.1730 -0.0549 0.0718  -0.0236 115 THR B C   
1686 O O   . THR B 101 ? 0.2361 0.3941 0.1455 -0.0425 0.0500  -0.0284 115 THR B O   
1687 C CB  . THR B 101 ? 0.2043 0.4101 0.2288 -0.0361 0.0769  -0.0465 115 THR B CB  
1688 O OG1 . THR B 101 ? 0.2469 0.4110 0.2419 -0.0061 0.1070  -0.0631 115 THR B OG1 
1689 C CG2 . THR B 101 ? 0.1848 0.4205 0.2391 -0.0507 0.0645  -0.0404 115 THR B CG2 
1690 N N   . GLU B 102 ? 0.3185 0.3938 0.2114 -0.0725 0.0808  -0.0074 116 GLU B N   
1691 C CA  . GLU B 102 ? 0.3487 0.3959 0.2380 -0.0648 0.0736  -0.0101 116 GLU B CA  
1692 C C   . GLU B 102 ? 0.3301 0.3990 0.2091 -0.0584 0.0894  -0.0254 116 GLU B C   
1693 O O   . GLU B 102 ? 0.3272 0.4022 0.2043 -0.0532 0.0835  -0.0090 116 GLU B O   
1694 C CB  . GLU B 102 ? 0.4081 0.3941 0.2898 -0.0599 0.0521  -0.0121 116 GLU B CB  
1695 C CG  . GLU B 102 ? 0.4495 0.3906 0.3161 -0.0491 0.0493  -0.0224 116 GLU B CG  
1696 C CD  . GLU B 102 ? 0.4833 0.3858 0.3359 -0.0423 0.0547  -0.0316 116 GLU B CD  
1697 O OE1 . GLU B 102 ? 0.4886 0.3837 0.3439 -0.0366 0.0600  -0.0310 116 GLU B OE1 
1698 O OE2 . GLU B 102 ? 0.5004 0.3847 0.3454 -0.0391 0.0520  -0.0425 116 GLU B OE2 
1699 N N   . ALA B 103 ? 0.3176 0.4022 0.2117 -0.0664 0.1133  -0.0387 117 ALA B N   
1700 C CA  . ALA B 103 ? 0.3054 0.4011 0.2212 -0.0604 0.1301  -0.0493 117 ALA B CA  
1701 C C   . ALA B 103 ? 0.2674 0.3932 0.1985 -0.0513 0.1023  -0.0666 117 ALA B C   
1702 O O   . ALA B 103 ? 0.2693 0.3974 0.1996 -0.0636 0.0856  -0.0743 117 ALA B O   
1703 C CB  . ALA B 103 ? 0.3409 0.4107 0.2707 -0.0575 0.1407  -0.0488 117 ALA B CB  
1704 N N   . ASN B 104 ? 0.2238 0.3837 0.1866 -0.0206 0.0801  -0.0669 118 ASN B N   
1705 C CA  . ASN B 104 ? 0.1875 0.3791 0.1942 -0.0161 0.0600  -0.0618 118 ASN B CA  
1706 C C   . ASN B 104 ? 0.1746 0.3674 0.1688 -0.0087 0.0660  -0.0438 118 ASN B C   
1707 O O   . ASN B 104 ? 0.1951 0.3583 0.1759 -0.0249 0.0788  -0.0174 118 ASN B O   
1708 C CB  . ASN B 104 ? 0.2304 0.3887 0.2497 -0.0005 0.0724  -0.0713 118 ASN B CB  
1709 C CG  . ASN B 104 ? 0.2374 0.4014 0.2892 0.0119  0.0457  -0.0897 118 ASN B CG  
1710 O OD1 . ASN B 104 ? 0.2486 0.4015 0.3257 0.0271  0.0432  -0.1003 118 ASN B OD1 
1711 N ND2 . ASN B 104 ? 0.2348 0.4103 0.3290 0.0020  0.0303  -0.0826 118 ASN B ND2 
1712 N N   . ALA B 105 ? 0.1867 0.3667 0.1539 0.0037  0.0417  -0.0327 119 ALA B N   
1713 C CA  . ALA B 105 ? 0.1734 0.3730 0.1738 0.0031  0.0242  -0.0177 119 ALA B CA  
1714 C C   . ALA B 105 ? 0.1278 0.3743 0.1644 -0.0174 0.0212  -0.0417 119 ALA B C   
1715 O O   . ALA B 105 ? 0.1061 0.3714 0.1650 -0.0124 0.0212  -0.0385 119 ALA B O   
1716 C CB  . ALA B 105 ? 0.2516 0.3751 0.1971 0.0123  0.0369  -0.0102 119 ALA B CB  
1717 N N   . TRP B 106 ? 0.1988 0.3835 0.1450 -0.0415 0.0299  -0.0553 120 TRP B N   
1718 C CA  . TRP B 106 ? 0.2133 0.3832 0.1786 -0.0544 0.0619  -0.0888 120 TRP B CA  
1719 C C   . TRP B 106 ? 0.2106 0.3727 0.1951 -0.0463 0.0853  -0.0907 120 TRP B C   
1720 O O   . TRP B 106 ? 0.2155 0.3896 0.2277 -0.0628 0.0897  -0.0864 120 TRP B O   
1721 C CB  . TRP B 106 ? 0.2554 0.3880 0.1983 -0.0528 0.0734  -0.1115 120 TRP B CB  
1722 C CG  . TRP B 106 ? 0.2992 0.3813 0.2342 -0.0604 0.1263  -0.1019 120 TRP B CG  
1723 C CD1 . TRP B 106 ? 0.3074 0.3783 0.2384 -0.0607 0.1341  -0.0949 120 TRP B CD1 
1724 C CD2 . TRP B 106 ? 0.3394 0.3794 0.2596 -0.0701 0.1519  -0.0969 120 TRP B CD2 
1725 N NE1 . TRP B 106 ? 0.3316 0.3817 0.2449 -0.0576 0.1407  -0.0986 120 TRP B NE1 
1726 C CE2 . TRP B 106 ? 0.3843 0.3843 0.2711 -0.0565 0.1556  -0.1081 120 TRP B CE2 
1727 C CE3 . TRP B 106 ? 0.3840 0.3849 0.3001 -0.0730 0.1788  -0.1055 120 TRP B CE3 
1728 C CZ2 . TRP B 106 ? 0.4178 0.3822 0.3074 -0.0440 0.1644  -0.1106 120 TRP B CZ2 
1729 C CZ3 . TRP B 106 ? 0.3974 0.3830 0.3245 -0.0695 0.1946  -0.1029 120 TRP B CZ3 
1730 C CH2 . TRP B 106 ? 0.4177 0.3817 0.3164 -0.0527 0.1858  -0.1131 120 TRP B CH2 
1731 N N   . LYS B 107 ? 0.1977 0.3585 0.2113 -0.0302 0.0950  -0.0769 121 LYS B N   
1732 C CA  . LYS B 107 ? 0.2121 0.3499 0.2416 -0.0265 0.0919  -0.0691 121 LYS B CA  
1733 C C   . LYS B 107 ? 0.1781 0.3329 0.1957 -0.0134 0.0772  -0.0571 121 LYS B C   
1734 O O   . LYS B 107 ? 0.1864 0.3329 0.2204 0.0158  0.0892  -0.0534 121 LYS B O   
1735 C CB  . LYS B 107 ? 0.2750 0.3553 0.3271 -0.0241 0.1247  -0.0444 121 LYS B CB  
1736 C CG  . LYS B 107 ? 0.2964 0.3545 0.3890 -0.0046 0.1380  -0.0370 121 LYS B CG  
1737 C CD  . LYS B 107 ? 0.3269 0.3614 0.4348 0.0063  0.1639  -0.0191 121 LYS B CD  
1738 C CE  . LYS B 107 ? 0.3606 0.3654 0.4910 0.0288  0.1372  -0.0179 121 LYS B CE  
1739 N NZ  . LYS B 107 ? 0.3928 0.3686 0.5301 0.0341  0.1247  -0.0169 121 LYS B NZ  
1740 N N   . SER B 108 ? 0.1581 0.3019 0.1461 -0.0298 0.0665  -0.0479 122 SER B N   
1741 C CA  . SER B 108 ? 0.1408 0.2981 0.1161 -0.0381 0.0432  -0.0278 122 SER B CA  
1742 C C   . SER B 108 ? 0.0911 0.2854 0.0997 -0.0190 0.0138  -0.0216 122 SER B C   
1743 O O   . SER B 108 ? 0.0906 0.2917 0.1127 -0.0170 0.0221  -0.0348 122 SER B O   
1744 C CB  . SER B 108 ? 0.1512 0.2993 0.1308 -0.0579 0.0083  -0.0257 122 SER B CB  
1745 O OG  . SER B 108 ? 0.2378 0.3012 0.1142 -0.0292 0.0179  -0.0125 122 SER B OG  
1746 N N   . THR B 109 ? 0.0732 0.2609 0.0967 -0.0087 0.0132  -0.0062 123 THR B N   
1747 C CA  . THR B 109 ? 0.0889 0.2459 0.1024 -0.0226 0.0123  -0.0140 123 THR B CA  
1748 C C   . THR B 109 ? 0.1169 0.2382 0.0786 -0.0160 0.0302  -0.0078 123 THR B C   
1749 O O   . THR B 109 ? 0.1458 0.2366 0.0860 -0.0050 -0.0199 -0.0048 123 THR B O   
1750 C CB  . THR B 109 ? 0.0840 0.2494 0.1270 -0.0076 0.0043  -0.0125 123 THR B CB  
1751 O OG1 . THR B 109 ? 0.1243 0.2473 0.1479 -0.0087 0.0159  0.0130  123 THR B OG1 
1752 C CG2 . THR B 109 ? 0.1119 0.2497 0.1029 0.0052  0.0429  0.0037  123 THR B CG2 
1753 N N   . LEU B 110 ? 0.0929 0.2286 0.1045 0.0029  0.0393  0.0015  124 LEU B N   
1754 C CA  . LEU B 110 ? 0.1002 0.2342 0.0985 -0.0051 0.0189  -0.0040 124 LEU B CA  
1755 C C   . LEU B 110 ? 0.1018 0.2360 0.0843 -0.0075 0.0074  -0.0172 124 LEU B C   
1756 O O   . LEU B 110 ? 0.1078 0.2270 0.1102 -0.0035 0.0143  -0.0530 124 LEU B O   
1757 C CB  . LEU B 110 ? 0.0791 0.2333 0.1284 0.0108  -0.0077 -0.0239 124 LEU B CB  
1758 C CG  . LEU B 110 ? 0.1195 0.2351 0.1441 0.0295  0.0010  -0.0342 124 LEU B CG  
1759 C CD1 . LEU B 110 ? 0.1110 0.2382 0.1628 0.0299  -0.0307 -0.0132 124 LEU B CD1 
1760 C CD2 . LEU B 110 ? 0.1734 0.2351 0.1626 0.0270  0.0110  -0.0444 124 LEU B CD2 
1761 N N   . VAL B 111 ? 0.0866 0.2479 0.0808 -0.0086 0.0195  -0.0097 125 VAL B N   
1762 C CA  . VAL B 111 ? 0.0805 0.2460 0.0886 0.0030  0.0207  0.0093  125 VAL B CA  
1763 C C   . VAL B 111 ? 0.0807 0.2386 0.0811 0.0127  0.0191  0.0078  125 VAL B C   
1764 O O   . VAL B 111 ? 0.0636 0.2400 0.1213 0.0058  0.0099  0.0017  125 VAL B O   
1765 C CB  . VAL B 111 ? 0.1055 0.2653 0.0844 0.0327  0.0117  -0.0124 125 VAL B CB  
1766 C CG1 . VAL B 111 ? 0.1222 0.2673 0.0874 0.0156  0.0127  -0.0172 125 VAL B CG1 
1767 C CG2 . VAL B 111 ? 0.1158 0.2716 0.1085 0.0519  0.0059  0.0101  125 VAL B CG2 
1768 N N   . GLY B 112 ? 0.0782 0.2394 0.0695 -0.0124 0.0111  -0.0032 126 GLY B N   
1769 C CA  . GLY B 112 ? 0.1208 0.2416 0.0905 -0.0103 0.0324  0.0121  126 GLY B CA  
1770 C C   . GLY B 112 ? 0.0972 0.2303 0.0867 -0.0058 0.0167  0.0085  126 GLY B C   
1771 O O   . GLY B 112 ? 0.1167 0.2171 0.0953 0.0059  0.0135  -0.0063 126 GLY B O   
1772 N N   . HIS B 113 ? 0.1281 0.2238 0.0867 -0.0006 0.0447  0.0080  127 HIS B N   
1773 C CA  . HIS B 113 ? 0.0925 0.2509 0.0745 -0.0018 0.0167  0.0028  127 HIS B CA  
1774 C C   . HIS B 113 ? 0.1015 0.2484 0.0862 0.0222  0.0267  0.0250  127 HIS B C   
1775 O O   . HIS B 113 ? 0.2113 0.2647 0.1122 0.0632  0.0498  0.0292  127 HIS B O   
1776 C CB  . HIS B 113 ? 0.0991 0.2631 0.1519 -0.0010 -0.0018 -0.0168 127 HIS B CB  
1777 C CG  . HIS B 113 ? 0.1270 0.2798 0.2270 -0.0087 -0.0183 -0.0453 127 HIS B CG  
1778 N ND1 . HIS B 113 ? 0.1705 0.2907 0.2914 -0.0101 0.0027  -0.0440 127 HIS B ND1 
1779 C CD2 . HIS B 113 ? 0.1490 0.2919 0.2976 -0.0085 -0.0576 -0.0448 127 HIS B CD2 
1780 C CE1 . HIS B 113 ? 0.1716 0.2986 0.3120 -0.0004 -0.0220 -0.0460 127 HIS B CE1 
1781 N NE2 . HIS B 113 ? 0.1689 0.2984 0.3290 -0.0057 -0.0413 -0.0516 127 HIS B NE2 
1782 N N   . ASP B 114 ? 0.1190 0.2440 0.0896 -0.0056 0.0336  0.0273  128 ASP B N   
1783 C CA  . ASP B 114 ? 0.1226 0.2714 0.0953 -0.0064 0.0162  0.0180  128 ASP B CA  
1784 C C   . ASP B 114 ? 0.1198 0.2632 0.0722 -0.0185 0.0068  0.0009  128 ASP B C   
1785 O O   . ASP B 114 ? 0.1446 0.2518 0.0942 0.0056  -0.0022 -0.0146 128 ASP B O   
1786 C CB  . ASP B 114 ? 0.1205 0.2789 0.1023 0.0015  -0.0062 0.0157  128 ASP B CB  
1787 C CG  A ASP B 114 ? 0.1605 0.2755 0.1074 0.0046  0.0178  0.0267  128 ASP B CG  
1788 C CG  B ASP B 114 ? 0.1290 0.2785 0.1334 0.0229  0.0259  0.0271  128 ASP B CG  
1789 O OD1 A ASP B 114 ? 0.1805 0.2722 0.1193 0.0110  -0.0059 0.0290  128 ASP B OD1 
1790 O OD1 B ASP B 114 ? 0.1453 0.2782 0.1479 0.0412  0.0282  0.0291  128 ASP B OD1 
1791 O OD2 A ASP B 114 ? 0.1741 0.2743 0.1371 0.0008  0.0463  0.0370  128 ASP B OD2 
1792 O OD2 B ASP B 114 ? 0.1252 0.2804 0.1688 0.0279  0.0529  0.0346  128 ASP B OD2 
1793 N N   . THR B 115 ? 0.1485 0.2669 0.0808 -0.0216 0.0297  -0.0017 129 THR B N   
1794 C CA  . THR B 115 ? 0.1407 0.2826 0.0884 -0.0349 0.0216  -0.0133 129 THR B CA  
1795 C C   . THR B 115 ? 0.1310 0.2722 0.0934 0.0073  0.0340  -0.0048 129 THR B C   
1796 O O   . THR B 115 ? 0.1708 0.2649 0.1114 0.0384  0.0062  -0.0100 129 THR B O   
1797 C CB  . THR B 115 ? 0.1897 0.3057 0.1180 -0.0852 0.0399  -0.0258 129 THR B CB  
1798 O OG1 . THR B 115 ? 0.2724 0.3201 0.1654 -0.0741 0.0060  -0.0275 129 THR B OG1 
1799 C CG2 . THR B 115 ? 0.1875 0.3095 0.1474 -0.0902 0.0155  -0.0378 129 THR B CG2 
1800 N N   . PHE B 116 ? 0.0847 0.2633 0.0830 0.0127  0.0157  -0.0001 130 PHE B N   
1801 C CA  . PHE B 116 ? 0.1318 0.2620 0.0858 -0.0133 0.0135  -0.0052 130 PHE B CA  
1802 C C   . PHE B 116 ? 0.0851 0.2491 0.0655 -0.0131 0.0039  -0.0098 130 PHE B C   
1803 O O   . PHE B 116 ? 0.0999 0.2556 0.0787 -0.0103 0.0136  0.0015  130 PHE B O   
1804 C CB  . PHE B 116 ? 0.1216 0.2568 0.0944 -0.0270 0.0342  -0.0020 130 PHE B CB  
1805 C CG  . PHE B 116 ? 0.1046 0.2540 0.0745 -0.0288 0.0013  0.0040  130 PHE B CG  
1806 C CD1 . PHE B 116 ? 0.1342 0.2534 0.0806 -0.0133 0.0108  0.0008  130 PHE B CD1 
1807 C CD2 . PHE B 116 ? 0.1268 0.2549 0.0938 -0.0325 0.0101  0.0150  130 PHE B CD2 
1808 C CE1 . PHE B 116 ? 0.1167 0.2458 0.1094 0.0031  -0.0020 -0.0088 130 PHE B CE1 
1809 C CE2 . PHE B 116 ? 0.1373 0.2547 0.1029 -0.0253 0.0188  0.0147  130 PHE B CE2 
1810 C CZ  . PHE B 116 ? 0.1186 0.2489 0.0843 0.0113  0.0065  -0.0179 130 PHE B CZ  
1811 N N   . THR B 117 ? 0.1403 0.2446 0.0676 -0.0042 0.0186  0.0045  131 THR B N   
1812 C CA  . THR B 117 ? 0.1591 0.2664 0.0835 -0.0093 0.0175  0.0051  131 THR B CA  
1813 C C   . THR B 117 ? 0.1590 0.2626 0.1027 -0.0252 0.0229  0.0020  131 THR B C   
1814 O O   . THR B 117 ? 0.1650 0.2428 0.0944 -0.0227 0.0277  -0.0014 131 THR B O   
1815 C CB  . THR B 117 ? 0.2489 0.2968 0.1678 -0.0160 0.0017  -0.0039 131 THR B CB  
1816 O OG1 . THR B 117 ? 0.3056 0.3033 0.2283 -0.0160 0.0218  0.0040  131 THR B OG1 
1817 C CG2 . THR B 117 ? 0.2968 0.3095 0.2019 -0.0192 -0.0088 -0.0079 131 THR B CG2 
1818 N N   . LYS B 118 ? 0.1865 0.2787 0.0916 -0.0375 0.0159  -0.0123 132 LYS B N   
1819 C CA  . LYS B 118 ? 0.1992 0.3009 0.1232 0.0051  0.0475  -0.0141 132 LYS B CA  
1820 C C   . LYS B 118 ? 0.2337 0.3113 0.1274 -0.0064 0.0435  0.0274  132 LYS B C   
1821 O O   . LYS B 118 ? 0.2662 0.3186 0.1288 -0.0160 0.0245  0.0221  132 LYS B O   
1822 C CB  . LYS B 118 ? 0.1898 0.3182 0.1297 0.0428  0.0396  -0.0164 132 LYS B CB  
1823 C CG  . LYS B 118 ? 0.2043 0.3366 0.1873 0.0645  0.0492  -0.0037 132 LYS B CG  
1824 C CD  . LYS B 118 ? 0.2420 0.3509 0.2574 0.0533  0.0600  -0.0042 132 LYS B CD  
1825 C CE  . LYS B 118 ? 0.2813 0.3625 0.3232 0.0548  0.0581  -0.0079 132 LYS B CE  
1826 N NZ  . LYS B 118 ? 0.3163 0.3711 0.3852 0.0521  0.0686  -0.0180 132 LYS B NZ  
1827 N N   . VAL B 119 ? 0.3096 0.3147 0.1660 0.0040  0.0239  0.0662  133 VAL B N   
1828 C CA  . VAL B 119 ? 0.4031 0.3308 0.2701 0.0101  0.0457  0.0687  133 VAL B CA  
1829 C C   . VAL B 119 ? 0.4652 0.3423 0.3685 -0.0017 0.0217  0.0674  133 VAL B C   
1830 O O   . VAL B 119 ? 0.4948 0.3411 0.3946 -0.0001 0.0556  0.0664  133 VAL B O   
1831 C CB  . VAL B 119 ? 0.4152 0.3374 0.3231 0.0187  0.0884  0.0644  133 VAL B CB  
1832 C CG1 . VAL B 119 ? 0.4449 0.3409 0.3496 0.0237  0.0804  0.0679  133 VAL B CG1 
1833 C CG2 . VAL B 119 ? 0.4107 0.3416 0.3438 0.0134  0.1459  0.0603  133 VAL B CG2 
1834 N N   . LYS B 120 ? 0.5174 0.3607 0.4518 -0.0163 0.0072  0.0601  134 LYS B N   
1835 C CA  . LYS B 120 ? 0.5505 0.3762 0.4978 -0.0287 -0.0200 0.0497  134 LYS B CA  
1836 C C   . LYS B 120 ? 0.5575 0.3812 0.5033 -0.0273 -0.0259 0.0457  134 LYS B C   
1837 O O   . LYS B 120 ? 0.5692 0.3848 0.5057 -0.0282 -0.0354 0.0384  134 LYS B O   
1838 C CB  . LYS B 120 ? 0.5698 0.3853 0.5320 -0.0339 -0.0382 0.0469  134 LYS B CB  
1839 C CG  . LYS B 120 ? 0.5813 0.3931 0.5580 -0.0393 -0.0450 0.0433  134 LYS B CG  
1840 C CD  . LYS B 120 ? 0.5873 0.4003 0.5681 -0.0413 -0.0493 0.0393  134 LYS B CD  
1841 C CE  . LYS B 120 ? 0.5914 0.4060 0.5765 -0.0377 -0.0511 0.0359  134 LYS B CE  
1842 N NZ  . LYS B 120 ? 0.5901 0.4100 0.5842 -0.0320 -0.0513 0.0350  134 LYS B NZ  
1843 N N   . GLY C 2   ? 0.3085 0.3625 0.3591 -0.0353 0.0415  0.0059  16  GLY C N   
1844 C CA  . GLY C 2   ? 0.2953 0.3492 0.3034 -0.0494 0.0453  0.0130  16  GLY C CA  
1845 C C   . GLY C 2   ? 0.2816 0.3332 0.2568 -0.0548 0.0397  0.0059  16  GLY C C   
1846 O O   . GLY C 2   ? 0.2976 0.3334 0.2598 -0.0741 0.0600  0.0118  16  GLY C O   
1847 N N   . ILE C 3   ? 0.2417 0.3212 0.2031 -0.0351 0.0288  0.0128  17  ILE C N   
1848 C CA  . ILE C 3   ? 0.2031 0.3081 0.1711 -0.0281 0.0009  0.0147  17  ILE C CA  
1849 C C   . ILE C 3   ? 0.2067 0.2981 0.1477 -0.0448 -0.0282 0.0149  17  ILE C C   
1850 O O   . ILE C 3   ? 0.2185 0.2989 0.1511 -0.0449 -0.0281 0.0115  17  ILE C O   
1851 C CB  . ILE C 3   ? 0.2075 0.3066 0.1630 -0.0010 0.0201  0.0224  17  ILE C CB  
1852 C CG1 . ILE C 3   ? 0.2426 0.3112 0.1686 -0.0013 -0.0035 0.0344  17  ILE C CG1 
1853 C CG2 . ILE C 3   ? 0.2016 0.2995 0.1701 0.0124  0.0050  0.0113  17  ILE C CG2 
1854 C CD1 . ILE C 3   ? 0.2396 0.3144 0.1731 -0.0089 -0.0179 0.0477  17  ILE C CD1 
1855 N N   . THR C 4   ? 0.2176 0.2926 0.1600 -0.0475 -0.0235 0.0067  18  THR C N   
1856 C CA  . THR C 4   ? 0.2137 0.2883 0.1654 -0.0547 -0.0248 0.0118  18  THR C CA  
1857 C C   . THR C 4   ? 0.2322 0.2870 0.1650 -0.0484 -0.0004 0.0178  18  THR C C   
1858 O O   . THR C 4   ? 0.2374 0.2960 0.2053 -0.0434 0.0175  0.0135  18  THR C O   
1859 C CB  . THR C 4   ? 0.2456 0.2863 0.1689 -0.0546 0.0046  0.0142  18  THR C CB  
1860 O OG1 . THR C 4   ? 0.2558 0.2798 0.1550 -0.0687 -0.0070 0.0134  18  THR C OG1 
1861 C CG2 . THR C 4   ? 0.2507 0.2891 0.1770 -0.0639 -0.0287 0.0114  18  THR C CG2 
1862 N N   . GLY C 5   ? 0.2238 0.2802 0.1469 -0.0326 -0.0317 0.0143  19  GLY C N   
1863 C CA  . GLY C 5   ? 0.2174 0.2771 0.1618 -0.0322 -0.0668 0.0189  19  GLY C CA  
1864 C C   . GLY C 5   ? 0.2438 0.2638 0.1510 -0.0374 -0.0552 0.0168  19  GLY C C   
1865 O O   . GLY C 5   ? 0.2695 0.2584 0.1570 -0.0584 -0.0245 0.0402  19  GLY C O   
1866 N N   . THR C 6   ? 0.2613 0.2653 0.1331 -0.0211 -0.0450 0.0120  20  THR C N   
1867 C CA  . THR C 6   ? 0.2880 0.2702 0.1332 -0.0167 -0.0306 0.0196  20  THR C CA  
1868 C C   . THR C 6   ? 0.2688 0.2689 0.1282 -0.0267 -0.0110 0.0248  20  THR C C   
1869 O O   . THR C 6   ? 0.2802 0.2730 0.1446 -0.0474 0.0052  0.0361  20  THR C O   
1870 C CB  . THR C 6   ? 0.3025 0.2839 0.1352 -0.0099 -0.0230 0.0156  20  THR C CB  
1871 O OG1 . THR C 6   ? 0.2902 0.2904 0.1554 -0.0062 -0.0280 0.0011  20  THR C OG1 
1872 C CG2 . THR C 6   ? 0.3355 0.2826 0.1449 -0.0219 -0.0186 0.0131  20  THR C CG2 
1873 N N   . TRP C 7   ? 0.2507 0.2603 0.1222 -0.0369 -0.0110 0.0083  21  TRP C N   
1874 C CA  . TRP C 7   ? 0.2428 0.2536 0.1238 -0.0306 -0.0239 0.0164  21  TRP C CA  
1875 C C   . TRP C 7   ? 0.2527 0.2498 0.1253 -0.0336 -0.0251 0.0271  21  TRP C C   
1876 O O   . TRP C 7   ? 0.2425 0.2554 0.1502 -0.0338 -0.0160 0.0064  21  TRP C O   
1877 C CB  . TRP C 7   ? 0.2522 0.2540 0.1460 -0.0239 -0.0371 0.0293  21  TRP C CB  
1878 C CG  . TRP C 7   ? 0.2436 0.2572 0.1519 -0.0320 -0.0239 0.0334  21  TRP C CG  
1879 C CD1 . TRP C 7   ? 0.2340 0.2569 0.1370 -0.0411 -0.0345 0.0316  21  TRP C CD1 
1880 C CD2 . TRP C 7   ? 0.2310 0.2571 0.1604 -0.0284 -0.0174 0.0269  21  TRP C CD2 
1881 N NE1 . TRP C 7   ? 0.2220 0.2597 0.1419 -0.0587 -0.0308 0.0170  21  TRP C NE1 
1882 C CE2 . TRP C 7   ? 0.2143 0.2574 0.1674 -0.0410 -0.0211 0.0236  21  TRP C CE2 
1883 C CE3 . TRP C 7   ? 0.2502 0.2599 0.1775 -0.0270 0.0071  0.0305  21  TRP C CE3 
1884 C CZ2 . TRP C 7   ? 0.2167 0.2599 0.1965 -0.0437 -0.0067 0.0250  21  TRP C CZ2 
1885 C CZ3 . TRP C 7   ? 0.2472 0.2603 0.1908 -0.0354 -0.0093 0.0220  21  TRP C CZ3 
1886 C CH2 . TRP C 7   ? 0.2189 0.2625 0.2035 -0.0388 -0.0237 0.0246  21  TRP C CH2 
1887 N N   . TYR C 8   ? 0.2387 0.2402 0.1325 -0.0477 -0.0257 0.0279  22  TYR C N   
1888 C CA  . TYR C 8   ? 0.2063 0.2342 0.1182 -0.0365 -0.0206 0.0507  22  TYR C CA  
1889 C C   . TYR C 8   ? 0.1986 0.2355 0.1493 -0.0343 -0.0081 0.0310  22  TYR C C   
1890 O O   . TYR C 8   ? 0.1836 0.2375 0.1455 -0.0206 0.0040  0.0185  22  TYR C O   
1891 C CB  . TYR C 8   ? 0.2458 0.2365 0.1393 -0.0105 0.0086  0.0576  22  TYR C CB  
1892 C CG  . TYR C 8   ? 0.2993 0.2387 0.1633 -0.0191 0.0064  0.0551  22  TYR C CG  
1893 C CD1 . TYR C 8   ? 0.3337 0.2433 0.2012 -0.0173 -0.0092 0.0418  22  TYR C CD1 
1894 C CD2 . TYR C 8   ? 0.3437 0.2452 0.1793 -0.0243 0.0071  0.0531  22  TYR C CD2 
1895 C CE1 . TYR C 8   ? 0.3713 0.2495 0.2190 -0.0176 -0.0286 0.0410  22  TYR C CE1 
1896 C CE2 . TYR C 8   ? 0.3857 0.2508 0.2055 -0.0194 -0.0036 0.0455  22  TYR C CE2 
1897 C CZ  . TYR C 8   ? 0.3734 0.2525 0.2196 -0.0182 -0.0289 0.0393  22  TYR C CZ  
1898 O OH  . TYR C 8   ? 0.3993 0.2574 0.2501 -0.0200 -0.0316 0.0320  22  TYR C OH  
1899 N N   . ASN C 9   ? 0.2063 0.2391 0.1463 -0.0313 0.0025  0.0083  23  ASN C N   
1900 C CA  . ASN C 9   ? 0.2201 0.2486 0.1355 -0.0405 -0.0224 0.0116  23  ASN C CA  
1901 C C   . ASN C 9   ? 0.2355 0.2614 0.1352 -0.0337 -0.0108 0.0194  23  ASN C C   
1902 O O   . ASN C 9   ? 0.2589 0.2585 0.1533 -0.0156 0.0005  0.0273  23  ASN C O   
1903 C CB  . ASN C 9   ? 0.2287 0.2492 0.1537 -0.0496 -0.0159 0.0199  23  ASN C CB  
1904 C CG  . ASN C 9   ? 0.2297 0.2552 0.1660 -0.0173 0.0150  0.0189  23  ASN C CG  
1905 O OD1 . ASN C 9   ? 0.2274 0.2628 0.1753 -0.0088 -0.0176 0.0199  23  ASN C OD1 
1906 N ND2 . ASN C 9   ? 0.2573 0.2607 0.1793 -0.0253 0.0287  0.0215  23  ASN C ND2 
1907 N N   . GLN C 10  ? 0.2474 0.2731 0.1212 -0.0396 0.0022  0.0001  24  GLN C N   
1908 C CA  . GLN C 10  ? 0.3108 0.2877 0.1527 -0.0268 -0.0081 -0.0042 24  GLN C CA  
1909 C C   . GLN C 10  ? 0.3393 0.2946 0.1539 -0.0210 -0.0240 0.0051  24  GLN C C   
1910 O O   . GLN C 10  ? 0.3659 0.3003 0.1635 -0.0123 -0.0261 0.0098  24  GLN C O   
1911 C CB  . GLN C 10  ? 0.2841 0.2905 0.1558 -0.0297 -0.0184 0.0018  24  GLN C CB  
1912 C CG  . GLN C 10  ? 0.2408 0.2906 0.1752 -0.0245 -0.0309 0.0183  24  GLN C CG  
1913 C CD  . GLN C 10  ? 0.2206 0.2874 0.1909 -0.0249 -0.0200 0.0286  24  GLN C CD  
1914 O OE1 . GLN C 10  ? 0.2214 0.2842 0.1908 -0.0419 -0.0502 0.0355  24  GLN C OE1 
1915 N NE2 . GLN C 10  ? 0.2261 0.2852 0.1925 -0.0138 -0.0016 0.0418  24  GLN C NE2 
1916 N N   . LEU C 11  ? 0.3342 0.2906 0.1703 -0.0094 -0.0319 0.0051  25  LEU C N   
1917 C CA  . LEU C 11  ? 0.3489 0.2930 0.2007 0.0116  -0.0204 0.0143  25  LEU C CA  
1918 C C   . LEU C 11  ? 0.3741 0.2988 0.1974 0.0279  -0.0292 0.0290  25  LEU C C   
1919 O O   . LEU C 11  ? 0.3738 0.3078 0.2462 0.0510  -0.0355 0.0119  25  LEU C O   
1920 C CB  . LEU C 11  ? 0.3339 0.2954 0.2393 0.0033  -0.0140 0.0040  25  LEU C CB  
1921 C CG  . LEU C 11  ? 0.3909 0.3020 0.2739 -0.0075 0.0013  0.0046  25  LEU C CG  
1922 C CD1 . LEU C 11  ? 0.3874 0.3002 0.2986 -0.0230 0.0125  0.0115  25  LEU C CD1 
1923 C CD2 . LEU C 11  ? 0.4483 0.3065 0.2979 -0.0025 0.0185  -0.0043 25  LEU C CD2 
1924 N N   . GLY C 12  ? 0.3912 0.2946 0.1627 0.0192  -0.0006 0.0386  26  GLY C N   
1925 C CA  . GLY C 12  ? 0.4118 0.2941 0.1513 -0.0045 0.0122  0.0468  26  GLY C CA  
1926 C C   . GLY C 12  ? 0.3864 0.2931 0.1623 -0.0277 -0.0039 0.0383  26  GLY C C   
1927 O O   . GLY C 12  ? 0.4324 0.3017 0.2028 -0.0313 -0.0075 0.0413  26  GLY C O   
1928 N N   . SER C 13  ? 0.3324 0.2850 0.1631 -0.0405 -0.0641 0.0461  27  SER C N   
1929 C CA  . SER C 13  ? 0.2459 0.2859 0.1520 -0.0480 -0.0611 0.0428  27  SER C CA  
1930 C C   . SER C 13  ? 0.2545 0.2891 0.1614 -0.0412 -0.0581 0.0212  27  SER C C   
1931 O O   . SER C 13  ? 0.2759 0.3058 0.1945 -0.0419 -0.0114 0.0056  27  SER C O   
1932 C CB  . SER C 13  ? 0.2451 0.2923 0.1821 -0.0532 -0.0741 0.0425  27  SER C CB  
1933 O OG  . SER C 13  ? 0.2855 0.2996 0.1983 -0.0599 -0.0548 0.0436  27  SER C OG  
1934 N N   . THR C 14  ? 0.2636 0.2754 0.1335 -0.0204 -0.0683 0.0274  28  THR C N   
1935 C CA  . THR C 14  ? 0.2644 0.2738 0.1590 -0.0082 -0.0732 0.0452  28  THR C CA  
1936 C C   . THR C 14  ? 0.2561 0.2697 0.1478 -0.0109 -0.0298 0.0291  28  THR C C   
1937 O O   . THR C 14  ? 0.2677 0.2736 0.1597 -0.0085 0.0091  0.0106  28  THR C O   
1938 C CB  . THR C 14  ? 0.3265 0.2817 0.1906 -0.0093 -0.0670 0.0456  28  THR C CB  
1939 O OG1 . THR C 14  ? 0.3273 0.2842 0.1964 -0.0129 -0.0646 0.0353  28  THR C OG1 
1940 C CG2 . THR C 14  ? 0.3780 0.2865 0.1957 -0.0141 -0.0561 0.0522  28  THR C CG2 
1941 N N   . PHE C 15  ? 0.2440 0.2694 0.1218 -0.0134 -0.0267 0.0166  29  PHE C N   
1942 C CA  . PHE C 15  ? 0.2406 0.2801 0.1396 -0.0380 -0.0021 0.0175  29  PHE C CA  
1943 C C   . PHE C 15  ? 0.2043 0.2923 0.1342 -0.0519 -0.0009 0.0150  29  PHE C C   
1944 O O   . PHE C 15  ? 0.2078 0.2991 0.1892 -0.0732 0.0091  0.0302  29  PHE C O   
1945 C CB  . PHE C 15  ? 0.2785 0.2761 0.1550 -0.0279 0.0006  0.0172  29  PHE C CB  
1946 C CG  . PHE C 15  ? 0.2322 0.2675 0.1711 -0.0372 0.0091  0.0202  29  PHE C CG  
1947 C CD1 . PHE C 15  ? 0.2186 0.2645 0.1514 -0.0165 0.0042  0.0142  29  PHE C CD1 
1948 C CD2 . PHE C 15  ? 0.2260 0.2619 0.1842 -0.0438 0.0098  0.0030  29  PHE C CD2 
1949 C CE1 . PHE C 15  ? 0.2198 0.2581 0.1739 -0.0222 0.0083  0.0006  29  PHE C CE1 
1950 C CE2 . PHE C 15  ? 0.2455 0.2623 0.1733 -0.0493 0.0399  -0.0008 29  PHE C CE2 
1951 C CZ  . PHE C 15  ? 0.2380 0.2577 0.1479 -0.0346 0.0202  -0.0148 29  PHE C CZ  
1952 N N   . ILE C 16  ? 0.1908 0.2937 0.1294 -0.0237 -0.0141 0.0248  30  ILE C N   
1953 C CA  . ILE C 16  ? 0.2129 0.2917 0.1505 -0.0117 -0.0221 0.0256  30  ILE C CA  
1954 C C   . ILE C 16  ? 0.2222 0.2834 0.1448 -0.0202 -0.0059 0.0297  30  ILE C C   
1955 O O   . ILE C 16  ? 0.2080 0.2927 0.1669 0.0025  -0.0167 0.0487  30  ILE C O   
1956 C CB  . ILE C 16  ? 0.2571 0.3040 0.1768 0.0099  -0.0546 0.0112  30  ILE C CB  
1957 C CG1 . ILE C 16  ? 0.2948 0.3099 0.2000 0.0289  -0.0415 0.0054  30  ILE C CG1 
1958 C CG2 . ILE C 16  ? 0.2822 0.3033 0.1948 0.0183  -0.0667 0.0081  30  ILE C CG2 
1959 C CD1 . ILE C 16  ? 0.2741 0.3139 0.1993 0.0286  -0.0243 -0.0020 30  ILE C CD1 
1960 N N   . VAL C 17  ? 0.2092 0.2694 0.1399 -0.0362 -0.0127 0.0294  31  VAL C N   
1961 C CA  . VAL C 17  ? 0.1731 0.2683 0.1428 -0.0258 -0.0257 0.0226  31  VAL C CA  
1962 C C   . VAL C 17  ? 0.2125 0.2650 0.1418 -0.0255 -0.0031 0.0259  31  VAL C C   
1963 O O   . VAL C 17  ? 0.1963 0.2682 0.1584 -0.0446 -0.0176 0.0267  31  VAL C O   
1964 C CB  . VAL C 17  ? 0.1927 0.2771 0.1663 -0.0152 -0.0064 0.0253  31  VAL C CB  
1965 C CG1 . VAL C 17  ? 0.1967 0.2812 0.1983 -0.0120 0.0105  0.0173  31  VAL C CG1 
1966 C CG2 . VAL C 17  ? 0.1895 0.2821 0.2007 -0.0215 -0.0141 0.0403  31  VAL C CG2 
1967 N N   . THR C 18  ? 0.2309 0.2599 0.1362 -0.0188 -0.0196 0.0076  32  THR C N   
1968 C CA  . THR C 18  ? 0.2326 0.2642 0.1470 -0.0270 -0.0365 0.0030  32  THR C CA  
1969 C C   . THR C 18  ? 0.2141 0.2710 0.1500 -0.0401 -0.0234 0.0064  32  THR C C   
1970 O O   . THR C 18  ? 0.2029 0.2719 0.1479 -0.0312 -0.0023 0.0135  32  THR C O   
1971 C CB  . THR C 18  ? 0.2595 0.2711 0.1872 -0.0376 -0.0417 0.0051  32  THR C CB  
1972 O OG1 . THR C 18  ? 0.2739 0.2760 0.2088 -0.0244 -0.0091 0.0239  32  THR C OG1 
1973 C CG2 . THR C 18  ? 0.2841 0.2738 0.2021 -0.0384 -0.0412 -0.0007 32  THR C CG2 
1974 N N   . ALA C 19  ? 0.1958 0.2834 0.1547 -0.0429 -0.0256 0.0094  33  ALA C N   
1975 C CA  . ALA C 19  ? 0.1845 0.3056 0.1672 -0.0508 -0.0155 -0.0021 33  ALA C CA  
1976 C C   . ALA C 19  ? 0.2006 0.3179 0.1608 -0.0703 -0.0203 0.0053  33  ALA C C   
1977 O O   . ALA C 19  ? 0.2176 0.3250 0.1994 -0.0946 -0.0228 0.0309  33  ALA C O   
1978 C CB  . ALA C 19  ? 0.1908 0.3100 0.1857 -0.0406 0.0152  -0.0082 33  ALA C CB  
1979 N N   . GLY C 20  ? 0.2194 0.3255 0.1461 -0.0649 -0.0401 -0.0094 34  GLY C N   
1980 C CA  . GLY C 20  ? 0.3083 0.3410 0.1964 -0.0838 -0.0683 -0.0057 34  GLY C CA  
1981 C C   . GLY C 20  ? 0.3468 0.3649 0.2346 -0.0973 -0.1288 0.0025  34  GLY C C   
1982 O O   . GLY C 20  ? 0.3567 0.3756 0.2729 -0.0842 -0.0905 0.0196  34  GLY C O   
1983 N N   . ALA C 21  ? 0.3803 0.3740 0.2712 -0.0887 -0.1728 0.0216  35  ALA C N   
1984 C CA  . ALA C 21  ? 0.4397 0.3860 0.2921 -0.0891 -0.1900 0.0433  35  ALA C CA  
1985 C C   . ALA C 21  ? 0.4876 0.3906 0.3115 -0.0609 -0.1900 0.0610  35  ALA C C   
1986 O O   . ALA C 21  ? 0.5319 0.4054 0.3559 -0.0302 -0.1900 0.0703  35  ALA C O   
1987 C CB  . ALA C 21  ? 0.4582 0.3954 0.3329 -0.0967 -0.1900 0.0460  35  ALA C CB  
1988 N N   . ASP C 22  ? 0.4512 0.3794 0.2717 -0.0840 -0.1856 0.0605  36  ASP C N   
1989 C CA  . ASP C 22  ? 0.4488 0.3806 0.2831 -0.0893 -0.1432 0.0595  36  ASP C CA  
1990 C C   . ASP C 22  ? 0.3604 0.3606 0.2411 -0.1002 -0.1293 0.0404  36  ASP C C   
1991 O O   . ASP C 22  ? 0.4276 0.3670 0.2514 -0.1104 -0.1037 0.0313  36  ASP C O   
1992 C CB  . ASP C 22  ? 0.4960 0.3981 0.3478 -0.0802 -0.1137 0.0807  36  ASP C CB  
1993 C CG  . ASP C 22  ? 0.5472 0.4174 0.3925 -0.0717 -0.0795 0.1026  36  ASP C CG  
1994 O OD1 . ASP C 22  ? 0.5733 0.4168 0.4017 -0.0583 -0.0705 0.1272  36  ASP C OD1 
1995 O OD2 . ASP C 22  ? 0.5551 0.4328 0.4165 -0.0638 -0.0671 0.0984  36  ASP C OD2 
1996 N N   . GLY C 23  ? 0.2120 0.3392 0.2123 -0.0690 -0.0856 0.0427  37  GLY C N   
1997 C CA  . GLY C 23  ? 0.1234 0.3169 0.1660 -0.0221 -0.0279 0.0277  37  GLY C CA  
1998 C C   . GLY C 23  ? 0.1157 0.2929 0.1087 -0.0188 -0.0257 -0.0050 37  GLY C C   
1999 O O   . GLY C 23  ? 0.1992 0.2868 0.1080 -0.0290 -0.0256 -0.0267 37  GLY C O   
2000 N N   . ALA C 24  ? 0.1325 0.2772 0.1163 -0.0207 -0.0211 -0.0051 38  ALA C N   
2001 C CA  . ALA C 24  ? 0.1497 0.2697 0.1008 -0.0006 -0.0413 -0.0143 38  ALA C CA  
2002 C C   . ALA C 24  ? 0.1513 0.2587 0.1200 -0.0060 -0.0220 -0.0108 38  ALA C C   
2003 O O   . ALA C 24  ? 0.1490 0.2619 0.1486 -0.0298 -0.0301 -0.0184 38  ALA C O   
2004 C CB  . ALA C 24  ? 0.1894 0.2766 0.1343 0.0138  -0.0183 -0.0292 38  ALA C CB  
2005 N N   . LEU C 25  ? 0.1366 0.2432 0.1043 0.0143  -0.0194 -0.0029 39  LEU C N   
2006 C CA  . LEU C 25  ? 0.1614 0.2308 0.1097 0.0043  -0.0161 -0.0164 39  LEU C CA  
2007 C C   . LEU C 25  ? 0.1539 0.2226 0.1269 0.0070  -0.0069 -0.0140 39  LEU C C   
2008 O O   . LEU C 25  ? 0.1486 0.2325 0.1451 0.0083  -0.0140 -0.0177 39  LEU C O   
2009 C CB  . LEU C 25  ? 0.1411 0.2171 0.1220 -0.0038 -0.0191 -0.0185 39  LEU C CB  
2010 C CG  . LEU C 25  ? 0.1380 0.2080 0.1283 -0.0071 -0.0068 -0.0200 39  LEU C CG  
2011 C CD1 . LEU C 25  ? 0.1766 0.2089 0.1187 0.0081  -0.0056 -0.0365 39  LEU C CD1 
2012 C CD2 . LEU C 25  ? 0.1646 0.2123 0.1472 -0.0203 -0.0151 -0.0195 39  LEU C CD2 
2013 N N   . THR C 26  ? 0.1654 0.2153 0.1321 0.0201  -0.0214 -0.0068 40  THR C N   
2014 C CA  . THR C 26  ? 0.1851 0.2068 0.1436 0.0177  0.0010  -0.0084 40  THR C CA  
2015 C C   . THR C 26  ? 0.1857 0.2227 0.1610 0.0160  -0.0103 -0.0030 40  THR C C   
2016 O O   . THR C 26  ? 0.1713 0.2441 0.2034 0.0198  -0.0281 0.0247  40  THR C O   
2017 C CB  . THR C 26  ? 0.2414 0.1988 0.1522 0.0010  -0.0055 -0.0047 40  THR C CB  
2018 O OG1 . THR C 26  ? 0.2860 0.2053 0.1684 -0.0149 -0.0146 -0.0116 40  THR C OG1 
2019 C CG2 . THR C 26  ? 0.2594 0.1926 0.1486 -0.0068 0.0042  -0.0140 40  THR C CG2 
2020 N N   . GLY C 27  ? 0.1906 0.2186 0.1255 0.0287  -0.0152 -0.0043 41  GLY C N   
2021 C CA  . GLY C 27  ? 0.1900 0.2116 0.1493 0.0422  -0.0221 0.0055  41  GLY C CA  
2022 C C   . GLY C 27  ? 0.1810 0.2097 0.1455 0.0278  -0.0222 -0.0090 41  GLY C C   
2023 O O   . GLY C 27  ? 0.2130 0.2013 0.1784 0.0280  -0.0047 -0.0106 41  GLY C O   
2024 N N   . THR C 28  ? 0.1893 0.2222 0.1487 0.0154  -0.0212 -0.0190 42  THR C N   
2025 C CA  . THR C 28  ? 0.2027 0.2409 0.1671 0.0244  -0.0154 -0.0226 42  THR C CA  
2026 C C   . THR C 28  ? 0.2002 0.2401 0.1553 0.0132  -0.0142 0.0093  42  THR C C   
2027 O O   . THR C 28  ? 0.1873 0.2481 0.1871 -0.0039 -0.0308 0.0235  42  THR C O   
2028 C CB  . THR C 28  ? 0.2726 0.2607 0.1957 0.0235  -0.0103 -0.0372 42  THR C CB  
2029 O OG1 . THR C 28  ? 0.2999 0.2744 0.2324 0.0208  -0.0359 -0.0282 42  THR C OG1 
2030 C CG2 . THR C 28  ? 0.3084 0.2620 0.1874 0.0476  0.0064  -0.0605 42  THR C CG2 
2031 N N   . TYR C 29  ? 0.2121 0.2382 0.1148 0.0070  -0.0364 0.0175  43  TYR C N   
2032 C CA  . TYR C 29  ? 0.2237 0.2503 0.1482 -0.0015 -0.0146 0.0230  43  TYR C CA  
2033 C C   . TYR C 29  ? 0.2116 0.2720 0.1550 -0.0065 -0.0245 0.0204  43  TYR C C   
2034 O O   . TYR C 29  ? 0.1928 0.2715 0.1639 0.0111  -0.0218 0.0214  43  TYR C O   
2035 C CB  . TYR C 29  ? 0.1967 0.2397 0.1419 -0.0054 -0.0082 0.0302  43  TYR C CB  
2036 C CG  . TYR C 29  ? 0.2044 0.2294 0.1337 -0.0159 -0.0116 0.0308  43  TYR C CG  
2037 C CD1 . TYR C 29  ? 0.2187 0.2288 0.1164 -0.0143 -0.0033 0.0489  43  TYR C CD1 
2038 C CD2 . TYR C 29  ? 0.2259 0.2236 0.1470 -0.0249 0.0397  0.0303  43  TYR C CD2 
2039 C CE1 . TYR C 29  ? 0.2279 0.2241 0.1194 -0.0165 -0.0008 0.0473  43  TYR C CE1 
2040 C CE2 . TYR C 29  ? 0.2624 0.2212 0.1355 -0.0075 0.0248  0.0260  43  TYR C CE2 
2041 C CZ  . TYR C 29  ? 0.2608 0.2161 0.1456 -0.0066 0.0146  0.0349  43  TYR C CZ  
2042 O OH  . TYR C 29  ? 0.2743 0.2139 0.1533 -0.0057 0.0221  0.0303  43  TYR C OH  
2043 N N   . GLU C 30  ? 0.2493 0.2933 0.1775 0.0107  -0.0470 0.0340  44  GLU C N   
2044 C CA  . GLU C 30  ? 0.2317 0.3248 0.2135 0.0202  -0.0310 0.0320  44  GLU C CA  
2045 C C   . GLU C 30  ? 0.2471 0.3437 0.1977 0.0063  -0.0523 0.0220  44  GLU C C   
2046 O O   . GLU C 30  ? 0.2397 0.3450 0.1822 0.0094  -0.0146 0.0473  44  GLU C O   
2047 C CB  . GLU C 30  ? 0.2453 0.3367 0.2714 0.0404  -0.0517 0.0405  44  GLU C CB  
2048 C CG  . GLU C 30  ? 0.2692 0.3471 0.2966 0.0411  -0.0665 0.0450  44  GLU C CG  
2049 C CD  . GLU C 30  ? 0.2938 0.3486 0.3164 0.0440  -0.0660 0.0470  44  GLU C CD  
2050 O OE1 . GLU C 30  ? 0.3332 0.3505 0.3295 0.0511  -0.0667 0.0541  44  GLU C OE1 
2051 O OE2 . GLU C 30  ? 0.3074 0.3504 0.3233 0.0438  -0.0679 0.0397  44  GLU C OE2 
2052 N N   . SER C 31  ? 0.2859 0.3588 0.2052 -0.0049 -0.0674 -0.0128 45  SER C N   
2053 C CA  . SER C 31  ? 0.3442 0.3667 0.2237 -0.0016 -0.0584 -0.0101 45  SER C CA  
2054 C C   . SER C 31  ? 0.3820 0.3851 0.2808 0.0245  -0.0445 0.0131  45  SER C C   
2055 O O   . SER C 31  ? 0.3849 0.3905 0.3178 0.0493  -0.0583 0.0367  45  SER C O   
2056 C CB  . SER C 31  ? 0.3506 0.3557 0.2364 -0.0148 -0.0423 -0.0253 45  SER C CB  
2057 O OG  . SER C 31  ? 0.3588 0.3525 0.2629 -0.0153 -0.0179 -0.0140 45  SER C OG  
2058 N N   . ALA C 32  ? 0.3907 0.3955 0.2635 0.0147  -0.0756 0.0302  46  ALA C N   
2059 C CA  . ALA C 32  ? 0.4084 0.4045 0.2673 0.0042  -0.0924 0.0290  46  ALA C CA  
2060 C C   . ALA C 32  ? 0.4279 0.4081 0.2683 0.0175  -0.0989 0.0319  46  ALA C C   
2061 O O   . ALA C 32  ? 0.4534 0.4141 0.2601 0.0248  -0.1468 0.0374  46  ALA C O   
2062 C CB  . ALA C 32  ? 0.4163 0.4101 0.2685 -0.0136 -0.0866 0.0279  46  ALA C CB  
2063 N N   . VAL C 33  ? 0.3923 0.4036 0.2653 0.0189  -0.0752 0.0184  47  VAL C N   
2064 C CA  . VAL C 33  ? 0.3687 0.3985 0.2695 0.0119  -0.0450 -0.0010 47  VAL C CA  
2065 C C   . VAL C 33  ? 0.3402 0.4039 0.2480 0.0204  -0.0434 0.0066  47  VAL C C   
2066 O O   . VAL C 33  ? 0.3438 0.4046 0.2465 0.0329  -0.0597 -0.0026 47  VAL C O   
2067 C CB  . VAL C 33  ? 0.3793 0.3882 0.2905 0.0092  -0.0230 -0.0178 47  VAL C CB  
2068 C CG1 . VAL C 33  ? 0.3999 0.3868 0.3024 0.0042  -0.0004 -0.0216 47  VAL C CG1 
2069 C CG2 . VAL C 33  ? 0.3684 0.3834 0.3031 0.0058  -0.0257 -0.0254 47  VAL C CG2 
2070 N N   . GLY C 34  ? 0.3394 0.4084 0.2584 0.0187  -0.0056 0.0132  48  GLY C N   
2071 C CA  . GLY C 34  ? 0.3617 0.4184 0.2753 0.0218  0.0041  0.0149  48  GLY C CA  
2072 C C   . GLY C 34  ? 0.3642 0.4268 0.2776 0.0225  -0.0265 0.0165  48  GLY C C   
2073 O O   . GLY C 34  ? 0.3737 0.4307 0.2780 0.0406  -0.0366 0.0088  48  GLY C O   
2074 N N   . ASN C 35  ? 0.3767 0.4301 0.2805 0.0094  -0.0292 0.0247  49  ASN C N   
2075 C CA  . ASN C 35  ? 0.3735 0.4312 0.3108 0.0055  -0.0461 0.0163  49  ASN C CA  
2076 C C   . ASN C 35  ? 0.3705 0.4248 0.3325 -0.0005 -0.0495 0.0162  49  ASN C C   
2077 O O   . ASN C 35  ? 0.3777 0.4252 0.3477 -0.0109 -0.0442 0.0118  49  ASN C O   
2078 C CB  . ASN C 35  ? 0.3606 0.4379 0.3328 0.0025  -0.0465 0.0302  49  ASN C CB  
2079 C CG  . ASN C 35  ? 0.3492 0.4440 0.3489 0.0041  -0.0661 0.0469  49  ASN C CG  
2080 O OD1 . ASN C 35  ? 0.3415 0.4514 0.3587 0.0019  -0.0597 0.0483  49  ASN C OD1 
2081 N ND2 . ASN C 35  ? 0.3240 0.4444 0.3336 0.0092  -0.1045 0.0606  49  ASN C ND2 
2082 N N   . ALA C 36  ? 0.3856 0.4157 0.3462 0.0046  -0.0644 0.0270  50  ALA C N   
2083 C CA  . ALA C 36  ? 0.3756 0.4130 0.3510 0.0119  -0.0926 0.0357  50  ALA C CA  
2084 C C   . ALA C 36  ? 0.3847 0.4159 0.3539 0.0076  -0.1234 0.0491  50  ALA C C   
2085 O O   . ALA C 36  ? 0.4140 0.4184 0.3526 0.0102  -0.1189 0.0626  50  ALA C O   
2086 C CB  . ALA C 36  ? 0.3742 0.4090 0.3629 0.0203  -0.0724 0.0302  50  ALA C CB  
2087 N N   . GLU C 37  ? 0.3544 0.4163 0.3630 0.0162  -0.1653 0.0530  51  GLU C N   
2088 C CA  . GLU C 37  ? 0.3514 0.4175 0.3882 0.0237  -0.1762 0.0513  51  GLU C CA  
2089 C C   . GLU C 37  ? 0.3611 0.4105 0.3595 0.0134  -0.1807 0.0572  51  GLU C C   
2090 O O   . GLU C 37  ? 0.3657 0.4177 0.3301 -0.0045 -0.1900 0.0429  51  GLU C O   
2091 C CB  . GLU C 37  ? 0.3777 0.4249 0.4492 0.0293  -0.1399 0.0484  51  GLU C CB  
2092 C CG  . GLU C 37  ? 0.4150 0.4350 0.5187 0.0408  -0.1069 0.0434  51  GLU C CG  
2093 C CD  . GLU C 37  ? 0.4603 0.4430 0.5824 0.0441  -0.0766 0.0416  51  GLU C CD  
2094 O OE1 . GLU C 37  ? 0.4503 0.4477 0.6008 0.0366  -0.0690 0.0367  51  GLU C OE1 
2095 O OE2 . GLU C 37  ? 0.4979 0.4456 0.6033 0.0490  -0.0566 0.0441  51  GLU C OE2 
2096 N N   . SER C 38  ? 0.3526 0.3933 0.3618 0.0053  -0.1723 0.0563  52  SER C N   
2097 C CA  . SER C 38  ? 0.3728 0.3806 0.3630 0.0098  -0.1121 0.0563  52  SER C CA  
2098 C C   . SER C 38  ? 0.3293 0.3573 0.3251 0.0042  -0.0890 0.0672  52  SER C C   
2099 O O   . SER C 38  ? 0.2892 0.3484 0.3011 -0.0205 -0.1291 0.1011  52  SER C O   
2100 C CB  . SER C 38  ? 0.3961 0.3866 0.4052 0.0076  -0.1141 0.0274  52  SER C CB  
2101 O OG  . SER C 38  ? 0.4236 0.3927 0.4380 0.0115  -0.1130 0.0103  52  SER C OG  
2102 N N   . ARG C 39  ? 0.3369 0.3404 0.2758 0.0172  -0.0289 0.0527  53  ARG C N   
2103 C CA  . ARG C 39  ? 0.3213 0.3195 0.2439 0.0225  -0.0024 0.0316  53  ARG C CA  
2104 C C   . ARG C 39  ? 0.2602 0.2792 0.1879 0.0445  -0.0097 0.0366  53  ARG C C   
2105 O O   . ARG C 39  ? 0.2235 0.2696 0.2174 0.0753  -0.0074 0.0342  53  ARG C O   
2106 C CB  . ARG C 39  ? 0.3644 0.3385 0.2625 0.0037  0.0280  0.0157  53  ARG C CB  
2107 C CG  . ARG C 39  ? 0.4387 0.3620 0.3160 -0.0157 0.0252  0.0044  53  ARG C CG  
2108 C CD  . ARG C 39  ? 0.4950 0.3807 0.3573 -0.0327 0.0241  -0.0034 53  ARG C CD  
2109 N NE  . ARG C 39  ? 0.5354 0.3976 0.4052 -0.0351 0.0240  -0.0124 53  ARG C NE  
2110 C CZ  . ARG C 39  ? 0.5534 0.4077 0.4328 -0.0344 0.0219  -0.0110 53  ARG C CZ  
2111 N NH1 . ARG C 39  ? 0.5692 0.4139 0.4427 -0.0264 0.0213  -0.0147 53  ARG C NH1 
2112 N NH2 . ARG C 39  ? 0.5470 0.4093 0.4429 -0.0360 0.0217  -0.0064 53  ARG C NH2 
2113 N N   . TYR C 40  ? 0.2227 0.2477 0.1284 0.0415  -0.0254 0.0259  54  TYR C N   
2114 C CA  . TYR C 40  ? 0.1816 0.2275 0.1179 0.0258  -0.0309 0.0170  54  TYR C CA  
2115 C C   . TYR C 40  ? 0.1881 0.2190 0.1111 0.0391  -0.0061 0.0093  54  TYR C C   
2116 O O   . TYR C 40  ? 0.2358 0.2211 0.1170 0.0123  0.0261  -0.0020 54  TYR C O   
2117 C CB  . TYR C 40  ? 0.1576 0.2161 0.1150 0.0386  -0.0293 -0.0179 54  TYR C CB  
2118 C CG  . TYR C 40  ? 0.1872 0.2104 0.1280 0.0406  -0.0148 -0.0193 54  TYR C CG  
2119 C CD1 . TYR C 40  ? 0.2023 0.2101 0.1478 0.0373  -0.0202 -0.0092 54  TYR C CD1 
2120 C CD2 . TYR C 40  ? 0.1818 0.2137 0.1401 0.0292  0.0075  -0.0225 54  TYR C CD2 
2121 C CE1 . TYR C 40  ? 0.1987 0.2165 0.1737 0.0417  -0.0235 -0.0055 54  TYR C CE1 
2122 C CE2 . TYR C 40  ? 0.1931 0.2178 0.1193 0.0308  -0.0067 -0.0171 54  TYR C CE2 
2123 C CZ  . TYR C 40  ? 0.1938 0.2240 0.1467 0.0301  -0.0370 -0.0122 54  TYR C CZ  
2124 O OH  . TYR C 40  ? 0.2156 0.2303 0.1705 0.0231  -0.0554 -0.0035 54  TYR C OH  
2125 N N   . VAL C 41  ? 0.1830 0.2162 0.1103 0.0331  -0.0101 0.0049  55  VAL C N   
2126 C CA  . VAL C 41  ? 0.1684 0.2159 0.1137 0.0405  -0.0040 -0.0145 55  VAL C CA  
2127 C C   . VAL C 41  ? 0.1407 0.2214 0.1129 0.0242  -0.0161 -0.0050 55  VAL C C   
2128 O O   . VAL C 41  ? 0.1602 0.2222 0.1298 0.0079  -0.0015 -0.0047 55  VAL C O   
2129 C CB  . VAL C 41  ? 0.1974 0.2171 0.1241 0.0484  -0.0046 -0.0218 55  VAL C CB  
2130 C CG1 . VAL C 41  ? 0.1788 0.2148 0.1466 0.0355  -0.0646 -0.0171 55  VAL C CG1 
2131 C CG2 . VAL C 41  ? 0.2418 0.2176 0.1523 0.0426  0.0349  -0.0427 55  VAL C CG2 
2132 N N   . LEU C 42  ? 0.1351 0.2265 0.1299 0.0447  -0.0291 -0.0034 56  LEU C N   
2133 C CA  . LEU C 42  ? 0.1562 0.2319 0.1514 0.0341  -0.0049 -0.0094 56  LEU C CA  
2134 C C   . LEU C 42  ? 0.1316 0.2265 0.1439 0.0252  -0.0173 -0.0061 56  LEU C C   
2135 O O   . LEU C 42  ? 0.1393 0.2194 0.1527 -0.0121 -0.0122 -0.0105 56  LEU C O   
2136 C CB  . LEU C 42  ? 0.1740 0.2453 0.1408 0.0022  -0.0016 -0.0130 56  LEU C CB  
2137 C CG  . LEU C 42  ? 0.1721 0.2430 0.1580 -0.0085 0.0120  0.0189  56  LEU C CG  
2138 C CD1 . LEU C 42  ? 0.1665 0.2420 0.1624 -0.0034 0.0156  0.0245  56  LEU C CD1 
2139 C CD2 . LEU C 42  ? 0.2083 0.2446 0.1565 0.0011  0.0043  0.0285  56  LEU C CD2 
2140 N N   A THR C 43  ? 0.1195 0.2203 0.1229 0.0439  0.0020  0.0059  57  THR C N   
2141 N N   B THR C 43  ? 0.1380 0.2277 0.1302 0.0239  -0.0084 -0.0049 57  THR C N   
2142 C CA  A THR C 43  ? 0.1148 0.2219 0.1069 0.0347  0.0247  -0.0032 57  THR C CA  
2143 C CA  B THR C 43  ? 0.1305 0.2274 0.1185 0.0181  -0.0005 -0.0085 57  THR C CA  
2144 C C   A THR C 43  ? 0.1379 0.2192 0.1140 0.0167  0.0087  0.0052  57  THR C C   
2145 C C   B THR C 43  ? 0.1278 0.2289 0.1152 0.0148  0.0095  -0.0025 57  THR C C   
2146 O O   A THR C 43  ? 0.0965 0.2222 0.1177 0.0226  -0.0167 -0.0090 57  THR C O   
2147 O O   B THR C 43  ? 0.1098 0.2380 0.1089 0.0154  0.0036  -0.0054 57  THR C O   
2148 C CB  A THR C 43  ? 0.1660 0.2349 0.1461 0.0301  0.0504  -0.0089 57  THR C CB  
2149 C CB  B THR C 43  ? 0.1454 0.2276 0.1254 0.0147  0.0031  -0.0126 57  THR C CB  
2150 O OG1 A THR C 43  ? 0.1779 0.2410 0.1465 0.0036  0.0441  -0.0083 57  THR C OG1 
2151 O OG1 B THR C 43  ? 0.1297 0.2259 0.1216 0.0148  -0.0142 -0.0146 57  THR C OG1 
2152 C CG2 A THR C 43  ? 0.1558 0.2364 0.1742 0.0498  0.0587  -0.0133 57  THR C CG2 
2153 C CG2 B THR C 43  ? 0.1523 0.2279 0.1268 0.0126  0.0027  -0.0160 57  THR C CG2 
2154 N N   . GLY C 44  ? 0.1244 0.2244 0.1102 0.0196  0.0280  -0.0035 58  GLY C N   
2155 C CA  . GLY C 44  ? 0.1031 0.2186 0.1288 0.0340  0.0004  -0.0085 58  GLY C CA  
2156 C C   . GLY C 44  ? 0.1115 0.2160 0.0896 0.0267  0.0108  -0.0069 58  GLY C C   
2157 O O   . GLY C 44  ? 0.1694 0.2050 0.0905 -0.0003 -0.0087 -0.0221 58  GLY C O   
2158 N N   . ARG C 45  ? 0.0967 0.2316 0.0878 0.0197  0.0099  -0.0118 59  ARG C N   
2159 C CA  . ARG C 45  ? 0.0834 0.2434 0.0908 0.0044  -0.0038 0.0024  59  ARG C CA  
2160 C C   . ARG C 45  ? 0.0948 0.2362 0.0989 -0.0117 0.0039  -0.0212 59  ARG C C   
2161 O O   . ARG C 45  ? 0.1312 0.2312 0.0989 -0.0085 0.0054  -0.0197 59  ARG C O   
2162 C CB  . ARG C 45  ? 0.1156 0.2595 0.0951 0.0014  0.0254  -0.0196 59  ARG C CB  
2163 C CG  . ARG C 45  ? 0.1083 0.2768 0.0933 -0.0137 -0.0044 -0.0295 59  ARG C CG  
2164 C CD  . ARG C 45  ? 0.1092 0.2792 0.1083 -0.0181 0.0107  -0.0248 59  ARG C CD  
2165 N NE  . ARG C 45  ? 0.1029 0.2791 0.1039 -0.0093 -0.0130 -0.0117 59  ARG C NE  
2166 C CZ  . ARG C 45  ? 0.1236 0.2789 0.0932 0.0152  0.0238  -0.0098 59  ARG C CZ  
2167 N NH1 . ARG C 45  ? 0.1433 0.2786 0.1330 0.0314  0.0193  0.0204  59  ARG C NH1 
2168 N NH2 . ARG C 45  ? 0.1532 0.2833 0.1275 -0.0172 0.0125  -0.0186 59  ARG C NH2 
2169 N N   . TYR C 46  ? 0.1061 0.2452 0.0911 -0.0075 0.0038  -0.0211 60  TYR C N   
2170 C CA  . TYR C 46  ? 0.0890 0.2513 0.0922 -0.0088 0.0128  0.0024  60  TYR C CA  
2171 C C   . TYR C 46  ? 0.1057 0.2576 0.1057 -0.0152 0.0056  -0.0145 60  TYR C C   
2172 O O   . TYR C 46  ? 0.1122 0.2572 0.1036 -0.0027 -0.0054 -0.0065 60  TYR C O   
2173 C CB  . TYR C 46  ? 0.1299 0.2568 0.1001 -0.0104 0.0075  0.0103  60  TYR C CB  
2174 C CG  . TYR C 46  ? 0.1328 0.2620 0.1399 -0.0078 -0.0269 -0.0032 60  TYR C CG  
2175 C CD1 . TYR C 46  ? 0.1820 0.2653 0.1649 -0.0112 -0.0247 -0.0081 60  TYR C CD1 
2176 C CD2 . TYR C 46  ? 0.1621 0.2673 0.1840 -0.0078 -0.0513 -0.0137 60  TYR C CD2 
2177 C CE1 . TYR C 46  ? 0.1896 0.2684 0.1860 -0.0215 -0.0680 -0.0128 60  TYR C CE1 
2178 C CE2 . TYR C 46  ? 0.1896 0.2723 0.2358 -0.0084 -0.0294 -0.0248 60  TYR C CE2 
2179 C CZ  . TYR C 46  ? 0.2126 0.2733 0.2360 -0.0138 -0.0724 -0.0357 60  TYR C CZ  
2180 O OH  . TYR C 46  ? 0.2649 0.2807 0.3183 -0.0138 -0.0649 -0.0432 60  TYR C OH  
2181 N N   . ASP C 47  ? 0.1005 0.2680 0.1097 -0.0279 -0.0031 -0.0260 61  ASP C N   
2182 C CA  . ASP C 47  ? 0.0894 0.2707 0.1191 -0.0249 -0.0221 -0.0285 61  ASP C CA  
2183 C C   . ASP C 47  ? 0.1119 0.2998 0.1127 -0.0227 -0.0167 -0.0301 61  ASP C C   
2184 O O   . ASP C 47  ? 0.1353 0.2986 0.1345 -0.0103 -0.0005 -0.0228 61  ASP C O   
2185 C CB  . ASP C 47  ? 0.0868 0.2891 0.1260 -0.0112 -0.0101 0.0020  61  ASP C CB  
2186 C CG  . ASP C 47  ? 0.0927 0.2891 0.1409 -0.0251 -0.0167 -0.0066 61  ASP C CG  
2187 O OD1 . ASP C 47  ? 0.0993 0.2948 0.1518 -0.0295 -0.0149 0.0036  61  ASP C OD1 
2188 O OD2 . ASP C 47  ? 0.1200 0.2812 0.1457 -0.0131 -0.0123 -0.0092 61  ASP C OD2 
2189 N N   . SER C 48  ? 0.1061 0.3208 0.1479 -0.0177 -0.0240 -0.0444 62  SER C N   
2190 C CA  . SER C 48  ? 0.1194 0.3349 0.1560 -0.0161 -0.0394 -0.0456 62  SER C CA  
2191 C C   . SER C 48  ? 0.1218 0.3529 0.2020 -0.0290 -0.0353 -0.0522 62  SER C C   
2192 O O   . SER C 48  ? 0.1373 0.3582 0.2426 -0.0504 -0.0293 -0.0734 62  SER C O   
2193 C CB  . SER C 48  ? 0.1893 0.3524 0.1409 -0.0158 -0.0149 -0.0428 62  SER C CB  
2194 O OG  . SER C 48  ? 0.2941 0.3599 0.1507 -0.0238 -0.0035 -0.0221 62  SER C OG  
2195 N N   . ALA C 49  ? 0.0954 0.3450 0.1868 -0.0224 -0.0115 -0.0415 63  ALA C N   
2196 C CA  . ALA C 49  ? 0.1062 0.3489 0.1896 -0.0270 -0.0314 -0.0305 63  ALA C CA  
2197 C C   . ALA C 49  ? 0.1045 0.3680 0.1796 -0.0335 -0.0200 -0.0117 63  ALA C C   
2198 O O   . ALA C 49  ? 0.0989 0.3725 0.1798 -0.0255 -0.0100 0.0056  63  ALA C O   
2199 C CB  . ALA C 49  ? 0.0957 0.3451 0.1980 -0.0023 -0.0274 -0.0200 63  ALA C CB  
2200 N N   . PRO C 50  ? 0.1390 0.3737 0.1620 -0.0392 -0.0259 -0.0181 64  PRO C N   
2201 C CA  . PRO C 50  ? 0.1156 0.3730 0.1581 -0.0236 -0.0170 -0.0153 64  PRO C CA  
2202 C C   . PRO C 50  ? 0.1081 0.3853 0.1631 -0.0245 -0.0202 0.0025  64  PRO C C   
2203 O O   . PRO C 50  ? 0.0992 0.3776 0.1734 -0.0225 0.0083  -0.0052 64  PRO C O   
2204 C CB  . PRO C 50  ? 0.1409 0.3752 0.2038 -0.0208 -0.0187 -0.0240 64  PRO C CB  
2205 C CG  . PRO C 50  ? 0.1549 0.3794 0.2087 -0.0328 -0.0103 -0.0201 64  PRO C CG  
2206 C CD  . PRO C 50  ? 0.1635 0.3757 0.1950 -0.0333 0.0014  -0.0126 64  PRO C CD  
2207 N N   . ALA C 51  ? 0.1127 0.4004 0.1403 -0.0312 0.0018  0.0245  65  ALA C N   
2208 C CA  . ALA C 51  ? 0.1301 0.4170 0.1460 -0.0321 0.0205  0.0113  65  ALA C CA  
2209 C C   . ALA C 51  ? 0.1660 0.4298 0.1795 -0.0349 0.0326  0.0286  65  ALA C C   
2210 O O   . ALA C 51  ? 0.1804 0.4361 0.2204 -0.0313 0.0494  0.0530  65  ALA C O   
2211 C CB  . ALA C 51  ? 0.1108 0.4099 0.1370 -0.0285 0.0112  -0.0167 65  ALA C CB  
2212 N N   . THR C 52  ? 0.1502 0.4352 0.1763 -0.0343 0.0381  0.0079  66  THR C N   
2213 C CA  . THR C 52  ? 0.1764 0.4425 0.1746 -0.0526 0.0247  -0.0048 66  THR C CA  
2214 C C   . THR C 52  ? 0.1751 0.4569 0.1891 -0.0526 0.0344  -0.0054 66  THR C C   
2215 O O   . THR C 52  ? 0.1835 0.4692 0.1845 -0.0630 0.0196  -0.0271 66  THR C O   
2216 C CB  . THR C 52  ? 0.2066 0.4403 0.1972 -0.0614 0.0299  -0.0060 66  THR C CB  
2217 O OG1 . THR C 52  ? 0.2121 0.4412 0.2192 -0.0795 -0.0084 -0.0179 66  THR C OG1 
2218 C CG2 . THR C 52  ? 0.2693 0.4377 0.2091 -0.0560 0.0326  -0.0139 66  THR C CG2 
2219 N N   . ASP C 53  ? 0.1529 0.4591 0.2038 -0.0268 0.0238  -0.0044 67  ASP C N   
2220 C CA  . ASP C 53  ? 0.1295 0.4581 0.2206 -0.0154 0.0359  -0.0167 67  ASP C CA  
2221 C C   . ASP C 53  ? 0.1501 0.4626 0.1955 -0.0215 0.0494  -0.0170 67  ASP C C   
2222 O O   . ASP C 53  ? 0.1966 0.4784 0.2368 -0.0090 0.0496  -0.0377 67  ASP C O   
2223 C CB  . ASP C 53  ? 0.1228 0.4404 0.2589 0.0076  0.0372  -0.0257 67  ASP C CB  
2224 C CG  . ASP C 53  ? 0.1788 0.4366 0.2879 0.0199  0.0449  -0.0241 67  ASP C CG  
2225 O OD1 . ASP C 53  ? 0.1673 0.4253 0.2548 0.0170  0.0652  -0.0325 67  ASP C OD1 
2226 O OD2 . ASP C 53  ? 0.2445 0.4439 0.3583 0.0372  0.0447  -0.0197 67  ASP C OD2 
2227 N N   . GLY C 54  ? 0.1372 0.4631 0.1919 -0.0550 0.0060  0.0025  68  GLY C N   
2228 C CA  . GLY C 54  ? 0.1336 0.4563 0.2050 -0.0611 0.0110  0.0098  68  GLY C CA  
2229 C C   . GLY C 54  ? 0.1285 0.4421 0.2050 -0.0552 0.0166  0.0177  68  GLY C C   
2230 O O   . GLY C 54  ? 0.1454 0.4599 0.2605 -0.0501 0.0195  0.0290  68  GLY C O   
2231 N N   . SER C 55  ? 0.1447 0.4049 0.1851 -0.0430 0.0504  0.0116  69  SER C N   
2232 C CA  . SER C 55  ? 0.1289 0.3886 0.1899 -0.0369 0.0457  0.0054  69  SER C CA  
2233 C C   . SER C 55  ? 0.1349 0.3778 0.1675 -0.0380 0.0476  -0.0020 69  SER C C   
2234 O O   . SER C 55  ? 0.1460 0.3822 0.1710 -0.0475 0.0094  -0.0135 69  SER C O   
2235 C CB  . SER C 55  ? 0.1657 0.4009 0.2205 -0.0403 0.0533  0.0139  69  SER C CB  
2236 O OG  . SER C 55  ? 0.2413 0.4007 0.2337 -0.0477 0.0666  0.0020  69  SER C OG  
2237 N N   . GLY C 56  ? 0.1368 0.3673 0.1417 -0.0308 0.0425  0.0014  70  GLY C N   
2238 C CA  . GLY C 56  ? 0.1109 0.3529 0.1303 -0.0161 0.0281  0.0009  70  GLY C CA  
2239 C C   . GLY C 56  ? 0.1048 0.3458 0.1217 -0.0180 0.0226  -0.0048 70  GLY C C   
2240 O O   . GLY C 56  ? 0.1091 0.3442 0.1297 -0.0361 0.0263  -0.0217 70  GLY C O   
2241 N N   . THR C 57  ? 0.0964 0.3194 0.1205 -0.0288 0.0209  -0.0130 71  THR C N   
2242 C CA  . THR C 57  ? 0.1173 0.3132 0.1096 -0.0386 0.0294  -0.0089 71  THR C CA  
2243 C C   . THR C 57  ? 0.1146 0.3005 0.1073 -0.0475 0.0156  -0.0082 71  THR C C   
2244 O O   . THR C 57  ? 0.1031 0.3029 0.0981 -0.0466 0.0016  -0.0030 71  THR C O   
2245 C CB  . THR C 57  ? 0.1213 0.3191 0.1229 -0.0417 0.0152  -0.0025 71  THR C CB  
2246 O OG1 . THR C 57  ? 0.1279 0.3167 0.1353 -0.0520 0.0147  0.0083  71  THR C OG1 
2247 C CG2 . THR C 57  ? 0.1727 0.3279 0.1157 -0.0290 0.0377  -0.0064 71  THR C CG2 
2248 N N   . ALA C 58  ? 0.1006 0.2809 0.0999 -0.0231 0.0263  -0.0005 72  ALA C N   
2249 C CA  . ALA C 58  ? 0.0912 0.2733 0.1028 -0.0324 0.0218  -0.0030 72  ALA C CA  
2250 C C   . ALA C 58  ? 0.1007 0.2608 0.0873 0.0001  0.0090  -0.0048 72  ALA C C   
2251 O O   . ALA C 58  ? 0.1172 0.2629 0.1088 -0.0138 -0.0069 -0.0166 72  ALA C O   
2252 C CB  . ALA C 58  ? 0.1066 0.2772 0.1145 -0.0381 0.0032  -0.0013 72  ALA C CB  
2253 N N   . LEU C 59  ? 0.0782 0.2485 0.0894 -0.0034 0.0185  0.0101  73  LEU C N   
2254 C CA  . LEU C 59  ? 0.0659 0.2420 0.1070 -0.0062 0.0118  0.0081  73  LEU C CA  
2255 C C   . LEU C 59  ? 0.0668 0.2348 0.0964 0.0114  0.0120  -0.0156 73  LEU C C   
2256 O O   . LEU C 59  ? 0.1034 0.2474 0.0958 -0.0094 0.0103  -0.0305 73  LEU C O   
2257 C CB  . LEU C 59  ? 0.1199 0.2579 0.1264 -0.0480 -0.0118 0.0301  73  LEU C CB  
2258 C CG  . LEU C 59  ? 0.2271 0.2737 0.2123 -0.0793 -0.0371 0.0612  73  LEU C CG  
2259 C CD1 . LEU C 59  ? 0.2354 0.2835 0.2310 -0.0634 -0.0394 0.0723  73  LEU C CD1 
2260 C CD2 . LEU C 59  ? 0.2741 0.2753 0.2302 -0.1095 -0.0488 0.0671  73  LEU C CD2 
2261 N N   . GLY C 60  ? 0.1053 0.2171 0.1100 0.0132  0.0168  0.0004  74  GLY C N   
2262 C CA  . GLY C 60  ? 0.0978 0.2011 0.1210 0.0093  0.0461  -0.0101 74  GLY C CA  
2263 C C   . GLY C 60  ? 0.0846 0.1912 0.0779 -0.0190 0.0085  0.0000  74  GLY C C   
2264 O O   . GLY C 60  ? 0.0987 0.2075 0.0869 -0.0148 0.0003  -0.0063 74  GLY C O   
2265 N N   . TRP C 61  ? 0.0918 0.1802 0.0914 -0.0204 -0.0042 0.0017  75  TRP C N   
2266 C CA  . TRP C 61  ? 0.1004 0.1822 0.1046 0.0218  0.0105  0.0073  75  TRP C CA  
2267 C C   . TRP C 61  ? 0.1056 0.1717 0.0808 0.0233  0.0079  0.0001  75  TRP C C   
2268 O O   . TRP C 61  ? 0.1210 0.1764 0.0822 0.0041  0.0213  -0.0259 75  TRP C O   
2269 C CB  . TRP C 61  ? 0.1371 0.1909 0.0810 -0.0009 0.0120  0.0177  75  TRP C CB  
2270 C CG  . TRP C 61  ? 0.1004 0.2118 0.0823 -0.0243 -0.0154 0.0104  75  TRP C CG  
2271 C CD1 . TRP C 61  ? 0.1323 0.2198 0.0931 -0.0261 -0.0094 0.0130  75  TRP C CD1 
2272 C CD2 . TRP C 61  ? 0.0992 0.2237 0.0827 -0.0239 -0.0061 0.0026  75  TRP C CD2 
2273 N NE1 . TRP C 61  ? 0.1576 0.2271 0.0796 -0.0353 0.0038  0.0256  75  TRP C NE1 
2274 C CE2 . TRP C 61  ? 0.1355 0.2303 0.0706 -0.0343 0.0205  0.0099  75  TRP C CE2 
2275 C CE3 . TRP C 61  ? 0.1258 0.2326 0.1060 -0.0364 0.0339  -0.0173 75  TRP C CE3 
2276 C CZ2 . TRP C 61  ? 0.1296 0.2431 0.1181 -0.0240 0.0120  -0.0038 75  TRP C CZ2 
2277 C CZ3 . TRP C 61  ? 0.1490 0.2450 0.1192 -0.0158 0.0019  -0.0051 75  TRP C CZ3 
2278 C CH2 . TRP C 61  ? 0.1236 0.2482 0.1184 -0.0170 0.0220  -0.0044 75  TRP C CH2 
2279 N N   . THR C 62  ? 0.0858 0.1752 0.1087 0.0216  0.0076  0.0058  76  THR C N   
2280 C CA  . THR C 62  ? 0.0813 0.1886 0.0893 0.0073  0.0192  -0.0044 76  THR C CA  
2281 C C   . THR C 62  ? 0.1082 0.1902 0.0854 0.0109  -0.0007 -0.0074 76  THR C C   
2282 O O   . THR C 62  ? 0.1222 0.1942 0.1070 0.0045  0.0123  -0.0115 76  THR C O   
2283 C CB  . THR C 62  ? 0.1032 0.1927 0.1075 0.0154  -0.0010 0.0020  76  THR C CB  
2284 O OG1 . THR C 62  ? 0.1203 0.1967 0.0892 0.0289  0.0120  -0.0035 76  THR C OG1 
2285 C CG2 . THR C 62  ? 0.0932 0.1858 0.1248 0.0111  -0.0233 0.0072  76  THR C CG2 
2286 N N   . VAL C 63  ? 0.0799 0.1991 0.0996 0.0089  0.0070  -0.0124 77  VAL C N   
2287 C CA  . VAL C 63  ? 0.0871 0.2090 0.0866 0.0189  0.0020  -0.0019 77  VAL C CA  
2288 C C   . VAL C 63  ? 0.1016 0.2268 0.1147 0.0276  0.0068  -0.0052 77  VAL C C   
2289 O O   . VAL C 63  ? 0.1127 0.2311 0.1066 -0.0118 -0.0188 -0.0151 77  VAL C O   
2290 C CB  . VAL C 63  ? 0.1183 0.2080 0.1028 0.0259  -0.0144 0.0090  77  VAL C CB  
2291 C CG1 . VAL C 63  ? 0.1117 0.2052 0.1087 0.0186  -0.0212 -0.0152 77  VAL C CG1 
2292 C CG2 . VAL C 63  ? 0.1574 0.2063 0.1639 0.0153  0.0124  0.0158  77  VAL C CG2 
2293 N N   . ALA C 64  ? 0.0968 0.2321 0.1092 0.0251  0.0064  0.0023  78  ALA C N   
2294 C CA  . ALA C 64  ? 0.1366 0.2451 0.1018 0.0356  0.0077  0.0126  78  ALA C CA  
2295 C C   . ALA C 64  ? 0.1163 0.2526 0.1159 0.0403  -0.0230 0.0007  78  ALA C C   
2296 O O   . ALA C 64  ? 0.1129 0.2614 0.1124 0.0432  -0.0010 -0.0035 78  ALA C O   
2297 C CB  . ALA C 64  ? 0.1433 0.2621 0.0860 0.0262  0.0308  0.0003  78  ALA C CB  
2298 N N   . TRP C 65  ? 0.0961 0.2461 0.1116 0.0435  -0.0182 -0.0041 79  TRP C N   
2299 C CA  . TRP C 65  ? 0.1175 0.2359 0.1133 0.0413  -0.0138 -0.0049 79  TRP C CA  
2300 C C   . TRP C 65  ? 0.0738 0.2257 0.1440 0.0283  -0.0285 -0.0023 79  TRP C C   
2301 O O   . TRP C 65  ? 0.1231 0.2307 0.1449 0.0252  0.0037  -0.0075 79  TRP C O   
2302 C CB  . TRP C 65  ? 0.1193 0.2348 0.1136 0.0422  -0.0142 -0.0091 79  TRP C CB  
2303 C CG  . TRP C 65  ? 0.1407 0.2297 0.0926 0.0397  0.0078  -0.0056 79  TRP C CG  
2304 C CD1 . TRP C 65  ? 0.1373 0.2336 0.0985 0.0422  0.0001  -0.0166 79  TRP C CD1 
2305 C CD2 . TRP C 65  ? 0.1385 0.2232 0.0946 0.0398  0.0073  -0.0076 79  TRP C CD2 
2306 N NE1 . TRP C 65  ? 0.1510 0.2299 0.1117 0.0331  -0.0071 -0.0050 79  TRP C NE1 
2307 C CE2 . TRP C 65  ? 0.1366 0.2221 0.1009 0.0352  0.0086  -0.0031 79  TRP C CE2 
2308 C CE3 . TRP C 65  ? 0.1671 0.2266 0.1186 0.0240  -0.0140 -0.0153 79  TRP C CE3 
2309 C CZ2 . TRP C 65  ? 0.1652 0.2245 0.1087 0.0221  0.0034  -0.0037 79  TRP C CZ2 
2310 C CZ3 . TRP C 65  ? 0.1805 0.2251 0.1324 0.0305  0.0213  0.0048  79  TRP C CZ3 
2311 C CH2 . TRP C 65  ? 0.1679 0.2238 0.1239 0.0220  0.0160  -0.0017 79  TRP C CH2 
2312 N N   . LYS C 66  ? 0.1203 0.2393 0.1389 0.0443  -0.0059 -0.0033 80  LYS C N   
2313 C CA  . LYS C 66  ? 0.1708 0.2493 0.1437 0.0417  0.0014  -0.0138 80  LYS C CA  
2314 C C   . LYS C 66  ? 0.1640 0.2514 0.1411 0.0387  -0.0281 -0.0224 80  LYS C C   
2315 O O   . LYS C 66  ? 0.1585 0.2446 0.1287 0.0233  0.0112  -0.0133 80  LYS C O   
2316 C CB  . LYS C 66  ? 0.1740 0.2600 0.1352 0.0590  0.0095  -0.0212 80  LYS C CB  
2317 C CG  . LYS C 66  ? 0.2127 0.2764 0.1540 0.0689  0.0291  -0.0325 80  LYS C CG  
2318 C CD  . LYS C 66  ? 0.2820 0.2951 0.1895 0.0549  0.0542  -0.0567 80  LYS C CD  
2319 C CE  . LYS C 66  ? 0.3293 0.3055 0.2180 0.0479  0.0415  -0.0819 80  LYS C CE  
2320 N NZ  . LYS C 66  ? 0.3755 0.3150 0.2486 0.0358  0.0590  -0.0847 80  LYS C NZ  
2321 N N   . ASN C 67  ? 0.1760 0.2710 0.1759 0.0369  -0.0088 -0.0322 81  ASN C N   
2322 C CA  . ASN C 67  ? 0.2005 0.2886 0.2214 0.0377  0.0105  -0.0473 81  ASN C CA  
2323 C C   . ASN C 67  ? 0.2381 0.3095 0.2992 0.0464  0.0385  -0.0662 81  ASN C C   
2324 O O   . ASN C 67  ? 0.2479 0.3168 0.3210 0.0505  0.0371  -0.0781 81  ASN C O   
2325 C CB  . ASN C 67  ? 0.1870 0.2858 0.2089 0.0450  -0.0078 -0.0172 81  ASN C CB  
2326 C CG  . ASN C 67  ? 0.1938 0.2822 0.2380 0.0463  -0.0189 -0.0142 81  ASN C CG  
2327 O OD1 . ASN C 67  ? 0.2040 0.2834 0.2779 0.0523  -0.0593 0.0091  81  ASN C OD1 
2328 N ND2 . ASN C 67  ? 0.2368 0.2784 0.2320 0.0634  -0.0210 -0.0108 81  ASN C ND2 
2329 N N   . ASN C 68  ? 0.2787 0.3244 0.3583 0.0546  0.0468  -0.0695 82  ASN C N   
2330 C CA  . ASN C 68  ? 0.3052 0.3383 0.4409 0.0573  0.0325  -0.0758 82  ASN C CA  
2331 C C   . ASN C 68  ? 0.2855 0.3467 0.5050 0.0712  0.0140  -0.0750 82  ASN C C   
2332 O O   . ASN C 68  ? 0.2249 0.3536 0.5454 0.0963  0.0243  -0.0821 82  ASN C O   
2333 C CB  . ASN C 68  ? 0.3893 0.3467 0.4602 0.0530  0.0411  -0.0753 82  ASN C CB  
2334 C CG  . ASN C 68  ? 0.4723 0.3544 0.4719 0.0446  0.0639  -0.0782 82  ASN C CG  
2335 O OD1 . ASN C 68  ? 0.5249 0.3616 0.4790 0.0405  0.0928  -0.0801 82  ASN C OD1 
2336 N ND2 . ASN C 68  ? 0.4847 0.3589 0.4772 0.0434  0.0605  -0.0829 82  ASN C ND2 
2337 N N   . TYR C 69  ? 0.2831 0.3494 0.5086 0.0613  -0.0410 -0.0605 83  TYR C N   
2338 C CA  . TYR C 69  ? 0.2953 0.3524 0.5107 0.0573  -0.0636 -0.0485 83  TYR C CA  
2339 C C   . TYR C 69  ? 0.2428 0.3467 0.4685 0.0657  -0.0691 -0.0383 83  TYR C C   
2340 O O   . TYR C 69  ? 0.2623 0.3433 0.4704 0.0665  -0.0741 -0.0463 83  TYR C O   
2341 C CB  . TYR C 69  ? 0.3662 0.3630 0.5515 0.0406  -0.0654 -0.0444 83  TYR C CB  
2342 C CG  . TYR C 69  ? 0.4439 0.3746 0.6035 0.0299  -0.0451 -0.0418 83  TYR C CG  
2343 C CD1 . TYR C 69  ? 0.4733 0.3804 0.6253 0.0257  -0.0274 -0.0434 83  TYR C CD1 
2344 C CD2 . TYR C 69  ? 0.4871 0.3794 0.6296 0.0215  -0.0322 -0.0403 83  TYR C CD2 
2345 C CE1 . TYR C 69  ? 0.4878 0.3837 0.6427 0.0212  -0.0117 -0.0452 83  TYR C CE1 
2346 C CE2 . TYR C 69  ? 0.5029 0.3835 0.6469 0.0178  -0.0140 -0.0443 83  TYR C CE2 
2347 C CZ  . TYR C 69  ? 0.5032 0.3858 0.6535 0.0191  -0.0027 -0.0468 83  TYR C CZ  
2348 O OH  . TYR C 69  ? 0.5129 0.3898 0.6647 0.0208  0.0137  -0.0475 83  TYR C OH  
2349 N N   . ARG C 70  ? 0.1989 0.3451 0.4084 0.0715  -0.0865 -0.0274 84  ARG C N   
2350 C CA  . ARG C 70  ? 0.2018 0.3508 0.3520 0.0729  -0.0754 -0.0204 84  ARG C CA  
2351 C C   . ARG C 70  ? 0.1615 0.3312 0.2769 0.0729  -0.0731 -0.0214 84  ARG C C   
2352 O O   . ARG C 70  ? 0.1450 0.3317 0.3102 0.0753  -0.0660 -0.0272 84  ARG C O   
2353 C CB  . ARG C 70  ? 0.2654 0.3720 0.3754 0.0749  -0.0680 -0.0115 84  ARG C CB  
2354 C CG  . ARG C 70  ? 0.3683 0.3901 0.4153 0.0619  -0.0312 -0.0142 84  ARG C CG  
2355 C CD  . ARG C 70  ? 0.4620 0.4059 0.4619 0.0505  -0.0056 -0.0149 84  ARG C CD  
2356 N NE  . ARG C 70  ? 0.5405 0.4159 0.5104 0.0461  0.0010  -0.0145 84  ARG C NE  
2357 C CZ  . ARG C 70  ? 0.5884 0.4202 0.5456 0.0437  -0.0042 -0.0178 84  ARG C CZ  
2358 N NH1 . ARG C 70  ? 0.5941 0.4216 0.5646 0.0380  -0.0072 -0.0188 84  ARG C NH1 
2359 N NH2 . ARG C 70  ? 0.6173 0.4213 0.5577 0.0498  0.0095  -0.0232 84  ARG C NH2 
2360 N N   . ASN C 71  ? 0.1466 0.3236 0.2162 0.0657  -0.0519 -0.0164 85  ASN C N   
2361 C CA  . ASN C 71  ? 0.1570 0.3146 0.1666 0.0688  -0.0263 -0.0124 85  ASN C CA  
2362 C C   . ASN C 71  ? 0.1408 0.3116 0.1587 0.0617  -0.0417 -0.0087 85  ASN C C   
2363 O O   . ASN C 71  ? 0.1628 0.3130 0.1620 0.0683  -0.0367 -0.0152 85  ASN C O   
2364 C CB  . ASN C 71  ? 0.1289 0.3102 0.1587 0.0798  0.0084  -0.0251 85  ASN C CB  
2365 C CG  . ASN C 71  ? 0.1175 0.2985 0.1453 0.0802  0.0031  -0.0252 85  ASN C CG  
2366 O OD1 . ASN C 71  ? 0.1091 0.3063 0.1600 0.0683  -0.0008 -0.0124 85  ASN C OD1 
2367 N ND2 . ASN C 71  ? 0.1478 0.2992 0.1359 0.0518  0.0112  -0.0341 85  ASN C ND2 
2368 N N   . ALA C 72  ? 0.1185 0.3082 0.1343 0.0562  -0.0090 -0.0174 86  ALA C N   
2369 C CA  . ALA C 72  ? 0.1168 0.3100 0.1477 0.0220  -0.0015 -0.0199 86  ALA C CA  
2370 C C   . ALA C 72  ? 0.1115 0.3069 0.1404 0.0149  -0.0010 -0.0202 86  ALA C C   
2371 O O   . ALA C 72  ? 0.1539 0.3066 0.1394 0.0119  -0.0092 -0.0170 86  ALA C O   
2372 C CB  . ALA C 72  ? 0.0956 0.3214 0.1553 0.0161  0.0067  -0.0151 86  ALA C CB  
2373 N N   . HIS C 73  ? 0.0977 0.3005 0.1273 0.0342  -0.0184 -0.0139 87  HIS C N   
2374 C CA  . HIS C 73  ? 0.0810 0.2828 0.1065 0.0376  -0.0025 -0.0090 87  HIS C CA  
2375 C C   . HIS C 73  ? 0.1092 0.2777 0.1190 0.0459  0.0090  -0.0189 87  HIS C C   
2376 O O   . HIS C 73  ? 0.1228 0.2745 0.1216 0.0159  -0.0027 -0.0136 87  HIS C O   
2377 C CB  . HIS C 73  ? 0.0971 0.2895 0.1337 0.0424  0.0202  -0.0246 87  HIS C CB  
2378 C CG  . HIS C 73  ? 0.1022 0.3047 0.1439 0.0490  0.0111  -0.0441 87  HIS C CG  
2379 N ND1 . HIS C 73  ? 0.1142 0.3171 0.1547 0.0558  0.0026  -0.0459 87  HIS C ND1 
2380 C CD2 . HIS C 73  ? 0.1161 0.3083 0.1584 0.0720  0.0021  -0.0475 87  HIS C CD2 
2381 C CE1 . HIS C 73  ? 0.1300 0.3171 0.1738 0.0574  -0.0235 -0.0398 87  HIS C CE1 
2382 N NE2 . HIS C 73  ? 0.0987 0.3030 0.1786 0.0566  -0.0053 -0.0400 87  HIS C NE2 
2383 N N   . SER C 74  ? 0.0818 0.2653 0.1313 0.0437  0.0056  -0.0136 88  SER C N   
2384 C CA  . SER C 74  ? 0.0784 0.2525 0.1033 0.0386  -0.0104 0.0038  88  SER C CA  
2385 C C   . SER C 74  ? 0.0751 0.2468 0.1019 0.0380  0.0082  0.0016  88  SER C C   
2386 O O   . SER C 74  ? 0.1283 0.2385 0.1010 0.0378  0.0071  -0.0058 88  SER C O   
2387 C CB  . SER C 74  ? 0.1522 0.2587 0.1081 0.0236  0.0064  -0.0036 88  SER C CB  
2388 O OG  . SER C 74  ? 0.1982 0.2538 0.1444 0.0304  -0.0021 -0.0051 88  SER C OG  
2389 N N   . ALA C 75  ? 0.1069 0.2504 0.0869 0.0351  0.0014  -0.0014 89  ALA C N   
2390 C CA  . ALA C 75  ? 0.0963 0.2507 0.0706 0.0304  0.0060  -0.0162 89  ALA C CA  
2391 C C   . ALA C 75  ? 0.1088 0.2423 0.0715 0.0078  -0.0032 -0.0031 89  ALA C C   
2392 O O   . ALA C 75  ? 0.1232 0.2434 0.0844 -0.0080 0.0015  0.0159  89  ALA C O   
2393 C CB  . ALA C 75  ? 0.1772 0.2563 0.0726 0.0448  0.0073  -0.0108 89  ALA C CB  
2394 N N   . THR C 76  ? 0.0991 0.2288 0.0826 0.0037  0.0162  0.0052  90  THR C N   
2395 C CA  . THR C 76  ? 0.0887 0.2172 0.0823 0.0111  0.0041  0.0272  90  THR C CA  
2396 C C   . THR C 76  ? 0.0891 0.2179 0.0902 0.0117  0.0120  0.0120  90  THR C C   
2397 O O   . THR C 76  ? 0.1043 0.2228 0.0852 -0.0017 -0.0089 -0.0113 90  THR C O   
2398 C CB  . THR C 76  ? 0.0981 0.2146 0.0908 0.0067  0.0227  0.0092  90  THR C CB  
2399 O OG1 . THR C 76  ? 0.1283 0.2082 0.1082 0.0185  -0.0295 -0.0086 90  THR C OG1 
2400 C CG2 . THR C 76  ? 0.0863 0.2216 0.1180 0.0185  0.0187  0.0014  90  THR C CG2 
2401 N N   . THR C 77  ? 0.0697 0.2197 0.0850 0.0062  0.0098  0.0170  91  THR C N   
2402 C CA  . THR C 77  ? 0.0566 0.2135 0.0865 0.0035  -0.0034 0.0211  91  THR C CA  
2403 C C   . THR C 77  ? 0.0839 0.2209 0.0852 -0.0136 -0.0050 0.0011  91  THR C C   
2404 O O   . THR C 77  ? 0.1326 0.2244 0.0939 -0.0389 0.0226  -0.0146 91  THR C O   
2405 C CB  . THR C 77  ? 0.1128 0.2273 0.0774 -0.0055 0.0012  0.0074  91  THR C CB  
2406 O OG1 . THR C 77  ? 0.1110 0.2263 0.1088 0.0004  0.0145  0.0045  91  THR C OG1 
2407 C CG2 . THR C 77  ? 0.1109 0.2300 0.0932 0.0045  0.0418  0.0052  91  THR C CG2 
2408 N N   . TRP C 78  ? 0.0792 0.2164 0.0831 -0.0034 0.0206  -0.0089 92  TRP C N   
2409 C CA  . TRP C 78  ? 0.0595 0.2149 0.0784 -0.0103 0.0078  0.0083  92  TRP C CA  
2410 C C   . TRP C 78  ? 0.0713 0.2268 0.0776 -0.0201 -0.0067 -0.0030 92  TRP C C   
2411 O O   . TRP C 78  ? 0.0695 0.2464 0.0928 -0.0089 0.0030  -0.0113 92  TRP C O   
2412 C CB  . TRP C 78  ? 0.0992 0.2279 0.0982 -0.0152 -0.0109 0.0092  92  TRP C CB  
2413 C CG  . TRP C 78  ? 0.1175 0.2403 0.0724 -0.0232 0.0092  0.0145  92  TRP C CG  
2414 C CD1 . TRP C 78  ? 0.0997 0.2475 0.0985 -0.0379 -0.0230 0.0103  92  TRP C CD1 
2415 C CD2 . TRP C 78  ? 0.0844 0.2413 0.0953 -0.0120 0.0208  0.0145  92  TRP C CD2 
2416 N NE1 . TRP C 78  ? 0.0713 0.2537 0.1197 -0.0097 0.0047  0.0057  92  TRP C NE1 
2417 C CE2 . TRP C 78  ? 0.1080 0.2442 0.1154 -0.0058 0.0326  0.0100  92  TRP C CE2 
2418 C CE3 . TRP C 78  ? 0.0769 0.2456 0.1288 0.0043  0.0174  0.0066  92  TRP C CE3 
2419 C CZ2 . TRP C 78  ? 0.1093 0.2487 0.1276 0.0009  0.0060  0.0182  92  TRP C CZ2 
2420 C CZ3 . TRP C 78  ? 0.1203 0.2472 0.1200 0.0062  0.0025  0.0039  92  TRP C CZ3 
2421 C CH2 . TRP C 78  ? 0.1337 0.2467 0.1175 0.0131  0.0049  0.0219  92  TRP C CH2 
2422 N N   . SER C 79  ? 0.1003 0.2185 0.1014 0.0023  0.0239  -0.0080 93  SER C N   
2423 C CA  . SER C 79  ? 0.0873 0.2286 0.1002 -0.0302 0.0087  0.0065  93  SER C CA  
2424 C C   . SER C 79  ? 0.0934 0.2391 0.1025 -0.0261 0.0174  0.0025  93  SER C C   
2425 O O   . SER C 79  ? 0.1305 0.2464 0.0776 -0.0325 0.0158  -0.0329 93  SER C O   
2426 C CB  . SER C 79  ? 0.0891 0.2408 0.1339 -0.0271 -0.0008 0.0277  93  SER C CB  
2427 O OG  . SER C 79  ? 0.0902 0.2487 0.1734 0.0085  0.0379  0.0339  93  SER C OG  
2428 N N   . GLY C 80  ? 0.0927 0.2411 0.0816 -0.0233 0.0076  0.0061  94  GLY C N   
2429 C CA  . GLY C 80  ? 0.0864 0.2556 0.0996 -0.0282 0.0159  0.0118  94  GLY C CA  
2430 C C   . GLY C 80  ? 0.0778 0.2648 0.0951 -0.0194 0.0121  0.0143  94  GLY C C   
2431 O O   . GLY C 80  ? 0.1219 0.2540 0.0844 -0.0100 -0.0008 0.0049  94  GLY C O   
2432 N N   . GLN C 81  ? 0.1051 0.2819 0.1079 -0.0267 0.0064  -0.0070 95  GLN C N   
2433 C CA  . GLN C 81  ? 0.1050 0.3003 0.1245 -0.0237 0.0016  0.0090  95  GLN C CA  
2434 C C   . GLN C 81  ? 0.1192 0.2980 0.1004 -0.0323 0.0040  0.0202  95  GLN C C   
2435 O O   . GLN C 81  ? 0.1327 0.2983 0.1192 -0.0364 0.0175  0.0182  95  GLN C O   
2436 C CB  . GLN C 81  ? 0.1663 0.3183 0.1403 -0.0161 0.0097  0.0006  95  GLN C CB  
2437 C CG  . GLN C 81  ? 0.1864 0.3283 0.1486 -0.0169 0.0154  -0.0147 95  GLN C CG  
2438 C CD  . GLN C 81  ? 0.1535 0.3312 0.1420 -0.0080 -0.0097 -0.0239 95  GLN C CD  
2439 O OE1 . GLN C 81  ? 0.1403 0.3302 0.1467 -0.0073 -0.0040 -0.0181 95  GLN C OE1 
2440 N NE2 . GLN C 81  ? 0.1737 0.3385 0.1520 -0.0253 -0.0212 -0.0589 95  GLN C NE2 
2441 N N   . TYR C 82  ? 0.1426 0.2944 0.1279 -0.0440 0.0206  0.0368  96  TYR C N   
2442 C CA  . TYR C 82  ? 0.1440 0.3018 0.1458 -0.0560 0.0194  0.0225  96  TYR C CA  
2443 C C   . TYR C 82  ? 0.1638 0.3241 0.1586 -0.0511 0.0208  0.0257  96  TYR C C   
2444 O O   . TYR C 82  ? 0.1564 0.3243 0.1493 -0.0195 0.0265  0.0190  96  TYR C O   
2445 C CB  . TYR C 82  ? 0.1709 0.2965 0.1407 -0.0522 0.0131  0.0158  96  TYR C CB  
2446 C CG  . TYR C 82  ? 0.1873 0.2979 0.1893 -0.0506 0.0089  0.0231  96  TYR C CG  
2447 C CD1 . TYR C 82  ? 0.2126 0.2968 0.2012 -0.0578 -0.0205 0.0228  96  TYR C CD1 
2448 C CD2 . TYR C 82  ? 0.1855 0.2982 0.2456 -0.0743 0.0184  0.0233  96  TYR C CD2 
2449 C CE1 . TYR C 82  ? 0.2172 0.2951 0.2362 -0.0779 -0.0070 0.0270  96  TYR C CE1 
2450 C CE2 . TYR C 82  ? 0.2225 0.2994 0.2742 -0.0727 0.0212  0.0217  96  TYR C CE2 
2451 C CZ  . TYR C 82  ? 0.2451 0.2965 0.2830 -0.0802 0.0106  0.0367  96  TYR C CZ  
2452 O OH  . TYR C 82  ? 0.2646 0.2985 0.3341 -0.0904 0.0134  0.0332  96  TYR C OH  
2453 N N   . VAL C 83  ? 0.1675 0.3520 0.1748 -0.0537 0.0510  0.0406  97  VAL C N   
2454 C CA  . VAL C 83  ? 0.2547 0.3764 0.2513 -0.0505 0.0646  0.0557  97  VAL C CA  
2455 C C   . VAL C 83  ? 0.2528 0.3934 0.3020 -0.0780 0.0491  0.0993  97  VAL C C   
2456 O O   . VAL C 83  ? 0.2287 0.3937 0.3213 -0.0832 0.0082  0.1290  97  VAL C O   
2457 C CB  . VAL C 83  ? 0.3021 0.3863 0.2780 -0.0304 0.1321  0.0236  97  VAL C CB  
2458 C CG1 . VAL C 83  ? 0.3227 0.3927 0.2885 -0.0222 0.1447  0.0265  97  VAL C CG1 
2459 C CG2 . VAL C 83  ? 0.3483 0.3901 0.2896 -0.0170 0.1430  0.0021  97  VAL C CG2 
2460 N N   . GLY C 84  ? 0.2812 0.4128 0.3499 -0.0676 0.0483  0.1101  98  GLY C N   
2461 C CA  . GLY C 84  ? 0.3324 0.4303 0.4242 -0.0806 0.0482  0.0997  98  GLY C CA  
2462 C C   . GLY C 84  ? 0.3700 0.4448 0.4773 -0.0877 0.0768  0.0904  98  GLY C C   
2463 O O   . GLY C 84  ? 0.3661 0.4500 0.4890 -0.0982 0.0811  0.0866  98  GLY C O   
2464 N N   . GLY C 85  ? 0.4254 0.4538 0.5168 -0.0777 0.0952  0.0944  99  GLY C N   
2465 C CA  . GLY C 85  ? 0.4489 0.4616 0.5480 -0.0678 0.0997  0.0973  99  GLY C CA  
2466 C C   . GLY C 85  ? 0.4613 0.4699 0.5712 -0.0595 0.0744  0.0959  99  GLY C C   
2467 O O   . GLY C 85  ? 0.4482 0.4728 0.5855 -0.0548 0.0527  0.0928  99  GLY C O   
2468 N N   . ALA C 86  ? 0.4815 0.4738 0.5804 -0.0551 0.0654  0.0958  100 ALA C N   
2469 C CA  . ALA C 86  ? 0.5083 0.4768 0.5900 -0.0534 0.0686  0.0924  100 ALA C CA  
2470 C C   . ALA C 86  ? 0.5183 0.4756 0.5881 -0.0562 0.0582  0.0848  100 ALA C C   
2471 O O   . ALA C 86  ? 0.5518 0.4778 0.6142 -0.0451 0.0576  0.0730  100 ALA C O   
2472 C CB  . ALA C 86  ? 0.5106 0.4804 0.5938 -0.0495 0.0786  0.0937  100 ALA C CB  
2473 N N   . GLU C 87  ? 0.4886 0.4699 0.5373 -0.0747 0.0436  0.0993  101 GLU C N   
2474 C CA  . GLU C 87  ? 0.4584 0.4651 0.4766 -0.0856 0.0283  0.1099  101 GLU C CA  
2475 C C   . GLU C 87  ? 0.3800 0.4468 0.3972 -0.0970 0.0269  0.1275  101 GLU C C   
2476 O O   . GLU C 87  ? 0.3745 0.4522 0.3764 -0.0892 0.0311  0.1469  101 GLU C O   
2477 C CB  . GLU C 87  ? 0.4914 0.4768 0.4977 -0.0808 0.0136  0.0963  101 GLU C CB  
2478 C CG  . GLU C 87  ? 0.5105 0.4862 0.5156 -0.0760 0.0111  0.0808  101 GLU C CG  
2479 C CD  . GLU C 87  ? 0.5303 0.4947 0.5306 -0.0705 0.0087  0.0718  101 GLU C CD  
2480 O OE1 . GLU C 87  ? 0.5390 0.5023 0.5349 -0.0710 0.0033  0.0682  101 GLU C OE1 
2481 O OE2 . GLU C 87  ? 0.5522 0.4931 0.5356 -0.0690 0.0213  0.0745  101 GLU C OE2 
2482 N N   . ALA C 88  ? 0.3100 0.4286 0.3501 -0.1065 -0.0118 0.1167  102 ALA C N   
2483 C CA  . ALA C 88  ? 0.2655 0.4071 0.3096 -0.1136 -0.0150 0.1099  102 ALA C CA  
2484 C C   . ALA C 88  ? 0.2134 0.3814 0.2562 -0.0968 -0.0259 0.1116  102 ALA C C   
2485 O O   . ALA C 88  ? 0.2507 0.3734 0.2505 -0.0848 -0.0337 0.1264  102 ALA C O   
2486 C CB  . ALA C 88  ? 0.2985 0.4139 0.3353 -0.1162 -0.0121 0.0923  102 ALA C CB  
2487 N N   . ARG C 89  ? 0.1953 0.3595 0.2073 -0.0868 0.0102  0.1079  103 ARG C N   
2488 C CA  . ARG C 89  ? 0.2049 0.3392 0.1789 -0.0643 0.0111  0.0854  103 ARG C CA  
2489 C C   . ARG C 89  ? 0.1674 0.3171 0.1577 -0.0604 0.0214  0.0639  103 ARG C C   
2490 O O   . ARG C 89  ? 0.1676 0.3232 0.1718 -0.0665 -0.0019 0.0572  103 ARG C O   
2491 C CB  . ARG C 89  ? 0.2327 0.3453 0.1951 -0.0466 0.0166  0.0655  103 ARG C CB  
2492 C CG  . ARG C 89  ? 0.2528 0.3428 0.2038 -0.0426 0.0473  0.0574  103 ARG C CG  
2493 C CD  . ARG C 89  ? 0.2759 0.3401 0.2278 -0.0317 0.0384  0.0538  103 ARG C CD  
2494 N NE  . ARG C 89  ? 0.2779 0.3346 0.2539 -0.0371 0.0136  0.0449  103 ARG C NE  
2495 C CZ  . ARG C 89  ? 0.2973 0.3281 0.2864 -0.0421 -0.0054 0.0434  103 ARG C CZ  
2496 N NH1 . ARG C 89  ? 0.3247 0.3252 0.2956 -0.0437 -0.0401 0.0411  103 ARG C NH1 
2497 N NH2 . ARG C 89  ? 0.3290 0.3248 0.2726 -0.0334 -0.0171 0.0561  103 ARG C NH2 
2498 N N   . ILE C 90  ? 0.1589 0.2943 0.1243 -0.0613 0.0289  0.0473  104 ILE C N   
2499 C CA  . ILE C 90  ? 0.1738 0.2741 0.1173 -0.0573 0.0199  0.0428  104 ILE C CA  
2500 C C   . ILE C 90  ? 0.1526 0.2613 0.1249 -0.0521 -0.0181 0.0324  104 ILE C C   
2501 O O   . ILE C 90  ? 0.1887 0.2475 0.1258 -0.0392 -0.0379 0.0179  104 ILE C O   
2502 C CB  . ILE C 90  ? 0.1899 0.2703 0.1215 -0.0574 0.0266  0.0379  104 ILE C CB  
2503 C CG1 . ILE C 90  ? 0.2258 0.2733 0.1295 -0.0297 0.0375  0.0236  104 ILE C CG1 
2504 C CG2 . ILE C 90  ? 0.1675 0.2701 0.1217 -0.0526 0.0312  0.0286  104 ILE C CG2 
2505 C CD1 . ILE C 90  ? 0.2439 0.2797 0.1451 -0.0178 0.0476  0.0286  104 ILE C CD1 
2506 N N   . ASN C 91  ? 0.1469 0.2659 0.1251 -0.0403 0.0131  0.0444  105 ASN C N   
2507 C CA  . ASN C 91  ? 0.1710 0.2678 0.1356 -0.0240 0.0389  0.0387  105 ASN C CA  
2508 C C   . ASN C 91  ? 0.1233 0.2603 0.1150 -0.0085 0.0328  0.0319  105 ASN C C   
2509 O O   . ASN C 91  ? 0.0985 0.2799 0.1232 -0.0105 0.0173  0.0135  105 ASN C O   
2510 C CB  . ASN C 91  ? 0.1826 0.2903 0.1520 -0.0165 0.0379  0.0639  105 ASN C CB  
2511 C CG  . ASN C 91  ? 0.2321 0.3102 0.1906 -0.0109 0.0585  0.0827  105 ASN C CG  
2512 O OD1 . ASN C 91  ? 0.2224 0.3254 0.1976 0.0030  0.0441  0.0870  105 ASN C OD1 
2513 N ND2 . ASN C 91  ? 0.2605 0.3255 0.2211 -0.0135 0.1004  0.0833  105 ASN C ND2 
2514 N N   . THR C 92  ? 0.0952 0.2534 0.0965 -0.0156 0.0193  0.0259  106 THR C N   
2515 C CA  . THR C 92  ? 0.0953 0.2473 0.0990 -0.0322 0.0235  0.0189  106 THR C CA  
2516 C C   . THR C 92  ? 0.1252 0.2422 0.0915 -0.0229 0.0278  0.0222  106 THR C C   
2517 O O   . THR C 92  ? 0.1305 0.2387 0.0988 -0.0112 0.0148  0.0224  106 THR C O   
2518 C CB  . THR C 92  ? 0.1371 0.2537 0.0985 -0.0175 0.0052  0.0124  106 THR C CB  
2519 O OG1 . THR C 92  ? 0.1310 0.2581 0.1093 -0.0307 0.0278  0.0122  106 THR C OG1 
2520 C CG2 . THR C 92  ? 0.1457 0.2555 0.1563 -0.0275 -0.0078 0.0154  106 THR C CG2 
2521 N N   . GLN C 93  ? 0.1109 0.2454 0.0988 -0.0184 0.0225  0.0045  107 GLN C N   
2522 C CA  . GLN C 93  ? 0.1081 0.2518 0.1116 -0.0077 0.0403  -0.0200 107 GLN C CA  
2523 C C   . GLN C 93  ? 0.1141 0.2309 0.0824 -0.0097 0.0319  -0.0195 107 GLN C C   
2524 O O   . GLN C 93  ? 0.1103 0.2468 0.0870 -0.0012 0.0125  -0.0211 107 GLN C O   
2525 C CB  . GLN C 93  ? 0.1001 0.2747 0.1901 0.0121  0.0545  -0.0251 107 GLN C CB  
2526 C CG  . GLN C 93  ? 0.1453 0.3102 0.2395 0.0099  0.0790  -0.0282 107 GLN C CG  
2527 C CD  . GLN C 93  ? 0.1848 0.3196 0.2592 -0.0015 -0.0138 -0.0200 107 GLN C CD  
2528 O OE1 . GLN C 93  ? 0.2213 0.3310 0.2684 -0.0013 -0.0481 0.0001  107 GLN C OE1 
2529 N NE2 . GLN C 93  ? 0.1652 0.3186 0.2252 -0.0054 -0.0602 -0.0123 107 GLN C NE2 
2530 N N   . TRP C 94  ? 0.1148 0.2073 0.0811 -0.0072 0.0367  -0.0067 108 TRP C N   
2531 C CA  . TRP C 94  ? 0.0909 0.2108 0.0757 0.0087  -0.0054 -0.0005 108 TRP C CA  
2532 C C   . TRP C 94  ? 0.0786 0.2050 0.0683 0.0055  0.0162  -0.0124 108 TRP C C   
2533 O O   . TRP C 94  ? 0.1292 0.1988 0.0677 0.0019  0.0127  -0.0158 108 TRP C O   
2534 C CB  . TRP C 94  ? 0.1297 0.2085 0.0941 0.0325  0.0080  0.0006  108 TRP C CB  
2535 C CG  . TRP C 94  ? 0.1261 0.2046 0.0833 0.0253  0.0069  -0.0017 108 TRP C CG  
2536 C CD1 . TRP C 94  ? 0.1361 0.2077 0.0806 0.0167  0.0025  -0.0037 108 TRP C CD1 
2537 C CD2 . TRP C 94  ? 0.1385 0.1992 0.0688 0.0266  0.0182  -0.0053 108 TRP C CD2 
2538 N NE1 . TRP C 94  ? 0.1479 0.2036 0.1059 0.0126  0.0161  0.0036  108 TRP C NE1 
2539 C CE2 . TRP C 94  ? 0.1297 0.2043 0.0841 0.0214  0.0184  -0.0138 108 TRP C CE2 
2540 C CE3 . TRP C 94  ? 0.1297 0.1968 0.1034 0.0094  0.0034  -0.0210 108 TRP C CE3 
2541 C CZ2 . TRP C 94  ? 0.1318 0.2131 0.1030 0.0255  0.0012  -0.0193 108 TRP C CZ2 
2542 C CZ3 . TRP C 94  ? 0.1101 0.2025 0.1193 0.0221  -0.0006 -0.0349 108 TRP C CZ3 
2543 C CH2 . TRP C 94  ? 0.1354 0.2127 0.1040 0.0218  -0.0030 -0.0390 108 TRP C CH2 
2544 N N   . LEU C 95  ? 0.0791 0.2036 0.0838 0.0046  0.0279  -0.0089 109 LEU C N   
2545 C CA  . LEU C 95  ? 0.0796 0.1869 0.0796 0.0044  0.0310  0.0058  109 LEU C CA  
2546 C C   . LEU C 95  ? 0.0830 0.2006 0.0813 -0.0113 0.0121  -0.0062 109 LEU C C   
2547 O O   . LEU C 95  ? 0.1001 0.2209 0.1170 0.0062  -0.0109 -0.0333 109 LEU C O   
2548 C CB  . LEU C 95  ? 0.1127 0.1984 0.0677 0.0160  0.0218  0.0182  109 LEU C CB  
2549 C CG  . LEU C 95  ? 0.1620 0.2106 0.0843 0.0235  0.0278  0.0089  109 LEU C CG  
2550 C CD1 . LEU C 95  ? 0.1780 0.2119 0.0882 0.0223  0.0221  0.0252  109 LEU C CD1 
2551 C CD2 . LEU C 95  ? 0.1799 0.2140 0.0905 0.0294  0.0190  -0.0115 109 LEU C CD2 
2552 N N   . LEU C 96  ? 0.0791 0.2010 0.0868 -0.0018 0.0162  0.0148  110 LEU C N   
2553 C CA  . LEU C 96  ? 0.0641 0.2070 0.1034 -0.0130 0.0193  0.0127  110 LEU C CA  
2554 C C   . LEU C 96  ? 0.0916 0.2126 0.0782 -0.0145 0.0142  0.0133  110 LEU C C   
2555 O O   . LEU C 96  ? 0.1012 0.2016 0.0968 -0.0175 0.0039  0.0054  110 LEU C O   
2556 C CB  . LEU C 96  ? 0.1187 0.2226 0.1213 0.0201  0.0128  0.0210  110 LEU C CB  
2557 C CG  . LEU C 96  ? 0.1406 0.2377 0.1099 0.0403  0.0251  0.0197  110 LEU C CG  
2558 C CD1 . LEU C 96  ? 0.1649 0.2449 0.1101 0.0530  0.0525  0.0006  110 LEU C CD1 
2559 C CD2 . LEU C 96  ? 0.1988 0.2456 0.1218 0.0486  0.0206  0.0356  110 LEU C CD2 
2560 N N   . THR C 97  ? 0.0805 0.2240 0.0801 -0.0073 0.0120  0.0184  111 THR C N   
2561 C CA  . THR C 97  ? 0.0932 0.2298 0.0956 0.0093  0.0079  0.0076  111 THR C CA  
2562 C C   . THR C 97  ? 0.0698 0.2448 0.0851 0.0057  0.0116  -0.0086 111 THR C C   
2563 O O   . THR C 97  ? 0.0821 0.2476 0.1141 -0.0037 -0.0033 -0.0317 111 THR C O   
2564 C CB  . THR C 97  ? 0.1154 0.2283 0.0916 0.0028  -0.0075 0.0116  111 THR C CB  
2565 O OG1 . THR C 97  ? 0.1492 0.2163 0.1094 0.0181  0.0292  0.0077  111 THR C OG1 
2566 C CG2 . THR C 97  ? 0.1119 0.2363 0.1124 0.0018  0.0122  0.0232  111 THR C CG2 
2567 N N   . SER C 98  ? 0.0698 0.2540 0.1000 0.0079  0.0121  0.0116  112 SER C N   
2568 C CA  . SER C 98  ? 0.0755 0.2894 0.1084 -0.0047 0.0060  0.0119  112 SER C CA  
2569 C C   . SER C 98  ? 0.0913 0.2929 0.1258 0.0091  0.0284  0.0006  112 SER C C   
2570 O O   . SER C 98  ? 0.0942 0.3200 0.1732 0.0039  0.0327  -0.0154 112 SER C O   
2571 C CB  . SER C 98  ? 0.1008 0.3180 0.1390 0.0048  -0.0244 0.0239  112 SER C CB  
2572 O OG  . SER C 98  ? 0.1441 0.3243 0.1552 0.0174  -0.0164 0.0290  112 SER C OG  
2573 N N   . GLY C 99  ? 0.1187 0.3036 0.1126 0.0170  0.0372  0.0106  113 GLY C N   
2574 C CA  . GLY C 99  ? 0.0977 0.3280 0.1324 -0.0003 0.0214  0.0086  113 GLY C CA  
2575 C C   . GLY C 99  ? 0.0887 0.3299 0.1490 -0.0094 -0.0150 0.0251  113 GLY C C   
2576 O O   . GLY C 99  ? 0.1268 0.3473 0.2179 -0.0112 -0.0061 0.0445  113 GLY C O   
2577 N N   . THR C 100 ? 0.0893 0.3156 0.1675 -0.0208 0.0227  0.0075  114 THR C N   
2578 C CA  . THR C 100 ? 0.1057 0.3214 0.1640 -0.0057 0.0438  0.0006  114 THR C CA  
2579 C C   . THR C 100 ? 0.0870 0.3209 0.1429 -0.0228 0.0086  -0.0141 114 THR C C   
2580 O O   . THR C 100 ? 0.1382 0.3160 0.1150 -0.0214 0.0133  -0.0028 114 THR C O   
2581 C CB  . THR C 100 ? 0.1340 0.3229 0.1580 -0.0180 0.0399  0.0039  114 THR C CB  
2582 O OG1 . THR C 100 ? 0.1341 0.3242 0.1433 -0.0319 0.0186  -0.0105 114 THR C OG1 
2583 C CG2 . THR C 100 ? 0.1379 0.3303 0.1649 -0.0370 0.0215  0.0137  114 THR C CG2 
2584 N N   . THR C 101 ? 0.1114 0.3332 0.1706 -0.0531 0.0225  -0.0078 115 THR C N   
2585 C CA  . THR C 101 ? 0.1123 0.3509 0.1802 -0.0526 0.0308  -0.0177 115 THR C CA  
2586 C C   . THR C 101 ? 0.1690 0.3490 0.1840 -0.0324 0.0291  0.0017  115 THR C C   
2587 O O   . THR C 101 ? 0.1344 0.3491 0.1688 -0.0267 0.0089  0.0053  115 THR C O   
2588 C CB  . THR C 101 ? 0.1401 0.3725 0.2323 -0.0487 0.0102  -0.0287 115 THR C CB  
2589 O OG1 . THR C 101 ? 0.1887 0.3809 0.2303 -0.0405 0.0176  -0.0342 115 THR C OG1 
2590 C CG2 . THR C 101 ? 0.1078 0.3801 0.2781 -0.0397 -0.0216 -0.0206 115 THR C CG2 
2591 N N   . GLU C 102 ? 0.2340 0.3520 0.1740 -0.0335 0.0387  0.0028  116 GLU C N   
2592 C CA  . GLU C 102 ? 0.3002 0.3545 0.1946 -0.0411 0.0635  0.0128  116 GLU C CA  
2593 C C   . GLU C 102 ? 0.2462 0.3512 0.2175 -0.0492 0.0644  -0.0176 116 GLU C C   
2594 O O   . GLU C 102 ? 0.2906 0.3478 0.2386 -0.0442 0.0920  -0.0118 116 GLU C O   
2595 C CB  . GLU C 102 ? 0.3687 0.3578 0.2142 -0.0518 0.0760  0.0256  116 GLU C CB  
2596 C CG  . GLU C 102 ? 0.3776 0.3594 0.2324 -0.0474 0.0779  0.0242  116 GLU C CG  
2597 C CD  . GLU C 102 ? 0.4002 0.3610 0.2577 -0.0415 0.0660  0.0211  116 GLU C CD  
2598 O OE1 . GLU C 102 ? 0.4103 0.3611 0.2575 -0.0389 0.0636  0.0202  116 GLU C OE1 
2599 O OE2 . GLU C 102 ? 0.4053 0.3617 0.2691 -0.0390 0.0403  0.0191  116 GLU C OE2 
2600 N N   . ALA C 103 ? 0.2204 0.3579 0.2306 -0.0649 0.0851  -0.0275 117 ALA C N   
2601 C CA  . ALA C 103 ? 0.2497 0.3670 0.2331 -0.0799 0.0929  -0.0319 117 ALA C CA  
2602 C C   . ALA C 103 ? 0.2017 0.3756 0.2088 -0.0732 0.0760  -0.0454 117 ALA C C   
2603 O O   . ALA C 103 ? 0.2424 0.3769 0.2348 -0.0854 0.0788  -0.0715 117 ALA C O   
2604 C CB  . ALA C 103 ? 0.2863 0.3657 0.2433 -0.1035 0.0755  -0.0230 117 ALA C CB  
2605 N N   . ASN C 104 ? 0.1436 0.3822 0.1870 -0.0695 0.0482  -0.0381 118 ASN C N   
2606 C CA  . ASN C 104 ? 0.1603 0.3891 0.1667 -0.0510 0.0424  -0.0381 118 ASN C CA  
2607 C C   . ASN C 104 ? 0.1610 0.3628 0.1523 -0.0537 0.0265  -0.0297 118 ASN C C   
2608 O O   . ASN C 104 ? 0.1400 0.3592 0.1559 -0.0545 0.0378  -0.0321 118 ASN C O   
2609 C CB  . ASN C 104 ? 0.1266 0.4257 0.1904 -0.0287 0.0166  -0.0450 118 ASN C CB  
2610 C CG  . ASN C 104 ? 0.1347 0.4560 0.2201 -0.0185 -0.0056 -0.0513 118 ASN C CG  
2611 O OD1 . ASN C 104 ? 0.1601 0.4687 0.2616 -0.0302 -0.0266 -0.0486 118 ASN C OD1 
2612 N ND2 . ASN C 104 ? 0.1374 0.4542 0.2445 0.0008  -0.0491 -0.0446 118 ASN C ND2 
2613 N N   . ALA C 105 ? 0.1333 0.3386 0.1558 -0.0392 0.0207  -0.0140 119 ALA C N   
2614 C CA  . ALA C 105 ? 0.1236 0.3217 0.1412 -0.0167 0.0013  -0.0052 119 ALA C CA  
2615 C C   . ALA C 105 ? 0.1348 0.3009 0.1559 -0.0377 0.0013  -0.0236 119 ALA C C   
2616 O O   . ALA C 105 ? 0.1274 0.2899 0.1703 -0.0346 -0.0039 -0.0496 119 ALA C O   
2617 C CB  . ALA C 105 ? 0.1936 0.3332 0.1484 -0.0044 0.0452  0.0129  119 ALA C CB  
2618 N N   . TRP C 106 ? 0.1678 0.3032 0.1518 -0.0571 0.0090  -0.0221 120 TRP C N   
2619 C CA  . TRP C 106 ? 0.1742 0.3103 0.1669 -0.0610 0.0415  -0.0427 120 TRP C CA  
2620 C C   . TRP C 106 ? 0.1447 0.3098 0.1764 -0.0539 0.0379  -0.0567 120 TRP C C   
2621 O O   . TRP C 106 ? 0.1514 0.3092 0.2247 -0.0434 0.0738  -0.0772 120 TRP C O   
2622 C CB  . TRP C 106 ? 0.2446 0.3192 0.1949 -0.0690 0.0592  -0.0519 120 TRP C CB  
2623 C CG  . TRP C 106 ? 0.2672 0.3252 0.1960 -0.1015 0.0611  -0.0765 120 TRP C CG  
2624 C CD1 . TRP C 106 ? 0.2440 0.3314 0.1966 -0.1060 0.0481  -0.0805 120 TRP C CD1 
2625 C CD2 . TRP C 106 ? 0.2738 0.3260 0.1634 -0.1265 0.0825  -0.0748 120 TRP C CD2 
2626 N NE1 . TRP C 106 ? 0.2192 0.3342 0.1725 -0.0874 0.0293  -0.0828 120 TRP C NE1 
2627 C CE2 . TRP C 106 ? 0.2702 0.3339 0.1544 -0.1095 0.0364  -0.0826 120 TRP C CE2 
2628 C CE3 . TRP C 106 ? 0.2988 0.3338 0.1683 -0.1319 0.0891  -0.0627 120 TRP C CE3 
2629 C CZ2 . TRP C 106 ? 0.2911 0.3448 0.1539 -0.1264 0.0271  -0.0744 120 TRP C CZ2 
2630 C CZ3 . TRP C 106 ? 0.2582 0.3357 0.1630 -0.1196 0.0814  -0.0665 120 TRP C CZ3 
2631 C CH2 . TRP C 106 ? 0.2834 0.3456 0.1542 -0.1246 0.0587  -0.0781 120 TRP C CH2 
2632 N N   . LYS C 107 ? 0.1621 0.3128 0.1542 -0.0548 0.0152  -0.0379 121 LYS C N   
2633 C CA  . LYS C 107 ? 0.1176 0.3269 0.1453 -0.0529 0.0073  -0.0316 121 LYS C CA  
2634 C C   . LYS C 107 ? 0.1174 0.3008 0.1303 -0.0191 0.0042  -0.0313 121 LYS C C   
2635 O O   . LYS C 107 ? 0.1236 0.3062 0.1363 -0.0197 0.0080  -0.0323 121 LYS C O   
2636 C CB  . LYS C 107 ? 0.1132 0.3641 0.1935 -0.0526 0.0006  -0.0441 121 LYS C CB  
2637 C CG  . LYS C 107 ? 0.1273 0.3880 0.2248 -0.0425 -0.0060 -0.0410 121 LYS C CG  
2638 C CD  . LYS C 107 ? 0.1600 0.4063 0.2511 -0.0538 -0.0146 -0.0316 121 LYS C CD  
2639 C CE  . LYS C 107 ? 0.1704 0.4226 0.2888 -0.0455 -0.0703 -0.0236 121 LYS C CE  
2640 N NZ  . LYS C 107 ? 0.1891 0.4338 0.3245 -0.0352 -0.0759 -0.0164 121 LYS C NZ  
2641 N N   . SER C 108 ? 0.1055 0.2758 0.1000 -0.0187 0.0124  -0.0299 122 SER C N   
2642 C CA  . SER C 108 ? 0.0837 0.2692 0.0897 -0.0113 0.0131  -0.0141 122 SER C CA  
2643 C C   . SER C 108 ? 0.0644 0.2502 0.1070 0.0033  0.0012  0.0030  122 SER C C   
2644 O O   . SER C 108 ? 0.0821 0.2449 0.1282 0.0004  0.0076  -0.0168 122 SER C O   
2645 C CB  . SER C 108 ? 0.1182 0.2809 0.1080 -0.0270 -0.0142 0.0044  122 SER C CB  
2646 O OG  . SER C 108 ? 0.1605 0.2794 0.1372 -0.0227 -0.0357 0.0192  122 SER C OG  
2647 N N   . THR C 109 ? 0.0680 0.2358 0.0686 0.0079  0.0062  0.0219  123 THR C N   
2648 C CA  . THR C 109 ? 0.0682 0.2374 0.0885 0.0075  0.0059  0.0177  123 THR C CA  
2649 C C   . THR C 109 ? 0.0614 0.2209 0.0830 -0.0061 0.0104  -0.0018 123 THR C C   
2650 O O   . THR C 109 ? 0.1200 0.2215 0.1010 0.0153  0.0083  -0.0064 123 THR C O   
2651 C CB  . THR C 109 ? 0.0695 0.2435 0.0872 0.0089  -0.0096 0.0230  123 THR C CB  
2652 O OG1 . THR C 109 ? 0.1192 0.2555 0.0870 0.0099  0.0039  0.0372  123 THR C OG1 
2653 C CG2 . THR C 109 ? 0.0855 0.2390 0.0996 0.0022  -0.0059 0.0098  123 THR C CG2 
2654 N N   . LEU C 110 ? 0.0877 0.2157 0.0812 -0.0252 0.0097  0.0011  124 LEU C N   
2655 C CA  . LEU C 110 ? 0.1356 0.2061 0.0833 -0.0249 0.0069  0.0080  124 LEU C CA  
2656 C C   . LEU C 110 ? 0.1257 0.1987 0.0733 -0.0210 0.0103  -0.0014 124 LEU C C   
2657 O O   . LEU C 110 ? 0.0927 0.2077 0.0842 -0.0102 0.0025  -0.0085 124 LEU C O   
2658 C CB  . LEU C 110 ? 0.1376 0.2110 0.1149 -0.0169 -0.0166 0.0068  124 LEU C CB  
2659 C CG  . LEU C 110 ? 0.1620 0.2165 0.1323 -0.0130 -0.0026 -0.0040 124 LEU C CG  
2660 C CD1 . LEU C 110 ? 0.1803 0.2253 0.1543 0.0028  0.0259  -0.0029 124 LEU C CD1 
2661 C CD2 . LEU C 110 ? 0.1573 0.2260 0.1017 -0.0254 -0.0285 -0.0149 124 LEU C CD2 
2662 N N   . VAL C 111 ? 0.1244 0.1965 0.0754 -0.0080 -0.0035 0.0050  125 VAL C N   
2663 C CA  . VAL C 111 ? 0.0975 0.1934 0.0908 -0.0005 0.0147  0.0071  125 VAL C CA  
2664 C C   . VAL C 111 ? 0.1065 0.1890 0.0871 0.0052  0.0257  -0.0104 125 VAL C C   
2665 O O   . VAL C 111 ? 0.1057 0.2028 0.0744 0.0029  -0.0023 -0.0112 125 VAL C O   
2666 C CB  . VAL C 111 ? 0.1319 0.1988 0.0872 -0.0117 0.0099  0.0048  125 VAL C CB  
2667 C CG1 . VAL C 111 ? 0.2008 0.2036 0.0824 -0.0320 0.0066  -0.0176 125 VAL C CG1 
2668 C CG2 . VAL C 111 ? 0.1116 0.2054 0.1010 -0.0098 0.0066  0.0150  125 VAL C CG2 
2669 N N   . GLY C 112 ? 0.1038 0.1772 0.0900 0.0021  0.0185  0.0094  126 GLY C N   
2670 C CA  . GLY C 112 ? 0.1228 0.1905 0.0836 -0.0072 -0.0024 0.0216  126 GLY C CA  
2671 C C   . GLY C 112 ? 0.1186 0.2109 0.0564 -0.0054 0.0096  -0.0075 126 GLY C C   
2672 O O   . GLY C 112 ? 0.1385 0.2306 0.0632 -0.0175 0.0070  -0.0032 126 GLY C O   
2673 N N   . HIS C 113 ? 0.1398 0.2303 0.1123 -0.0155 0.0206  0.0078  127 HIS C N   
2674 C CA  . HIS C 113 ? 0.1405 0.2488 0.1035 0.0002  0.0079  0.0079  127 HIS C CA  
2675 C C   . HIS C 113 ? 0.1551 0.2472 0.1174 -0.0024 -0.0290 0.0065  127 HIS C C   
2676 O O   . HIS C 113 ? 0.1792 0.2525 0.1638 -0.0349 -0.0612 -0.0061 127 HIS C O   
2677 C CB  . HIS C 113 ? 0.1616 0.2709 0.0811 0.0209  -0.0037 0.0024  127 HIS C CB  
2678 C CG  . HIS C 113 ? 0.2328 0.2909 0.1048 0.0208  0.0187  0.0122  127 HIS C CG  
2679 N ND1 . HIS C 113 ? 0.2738 0.3042 0.1038 0.0156  0.0370  0.0185  127 HIS C ND1 
2680 C CD2 . HIS C 113 ? 0.2302 0.2952 0.1239 0.0367  0.0104  0.0099  127 HIS C CD2 
2681 C CE1 . HIS C 113 ? 0.3018 0.3104 0.1374 0.0128  0.0423  0.0209  127 HIS C CE1 
2682 N NE2 . HIS C 113 ? 0.2724 0.3087 0.1526 0.0200  0.0128  0.0128  127 HIS C NE2 
2683 N N   . ASP C 114 ? 0.1350 0.2451 0.1249 -0.0180 0.0143  0.0096  128 ASP C N   
2684 C CA  . ASP C 114 ? 0.1244 0.2504 0.1384 -0.0238 0.0035  0.0135  128 ASP C CA  
2685 C C   . ASP C 114 ? 0.1456 0.2514 0.1043 -0.0259 -0.0074 0.0166  128 ASP C C   
2686 O O   . ASP C 114 ? 0.1343 0.2543 0.1146 -0.0116 -0.0161 0.0129  128 ASP C O   
2687 C CB  . ASP C 114 ? 0.1327 0.2582 0.1241 0.0030  0.0167  0.0165  128 ASP C CB  
2688 C CG  . ASP C 114 ? 0.1676 0.2674 0.1184 0.0075  -0.0014 0.0236  128 ASP C CG  
2689 O OD1 . ASP C 114 ? 0.2006 0.2894 0.1382 -0.0136 0.0008  0.0174  128 ASP C OD1 
2690 O OD2 . ASP C 114 ? 0.1876 0.2571 0.1225 0.0052  0.0101  0.0340  128 ASP C OD2 
2691 N N   . THR C 115 ? 0.1910 0.2576 0.1035 -0.0426 0.0237  0.0115  129 THR C N   
2692 C CA  . THR C 115 ? 0.1864 0.2671 0.1167 -0.0347 0.0418  0.0215  129 THR C CA  
2693 C C   . THR C 115 ? 0.1756 0.2566 0.1002 -0.0324 -0.0221 0.0238  129 THR C C   
2694 O O   . THR C 115 ? 0.2128 0.2527 0.1310 -0.0081 0.0000  0.0238  129 THR C O   
2695 C CB  A THR C 115 ? 0.1874 0.2866 0.1375 -0.0369 0.0459  -0.0005 129 THR C CB  
2696 C CB  B THR C 115 ? 0.1767 0.2763 0.1501 -0.0347 0.0445  0.0272  129 THR C CB  
2697 O OG1 A THR C 115 ? 0.1871 0.3004 0.1756 -0.0426 0.0492  -0.0104 129 THR C OG1 
2698 O OG1 B THR C 115 ? 0.1684 0.2780 0.1745 -0.0317 0.0343  0.0307  129 THR C OG1 
2699 C CG2 A THR C 115 ? 0.2235 0.2903 0.1138 -0.0236 0.0346  -0.0179 129 THR C CG2 
2700 C CG2 B THR C 115 ? 0.1835 0.2803 0.1671 -0.0341 0.0551  0.0236  129 THR C CG2 
2701 N N   . PHE C 116 ? 0.1548 0.2549 0.1045 -0.0552 -0.0109 0.0142  130 PHE C N   
2702 C CA  . PHE C 116 ? 0.1807 0.2537 0.1215 -0.0683 0.0035  0.0232  130 PHE C CA  
2703 C C   . PHE C 116 ? 0.2026 0.2526 0.1448 -0.0675 0.0177  0.0297  130 PHE C C   
2704 O O   . PHE C 116 ? 0.1868 0.2543 0.1488 -0.0591 -0.0160 0.0225  130 PHE C O   
2705 C CB  . PHE C 116 ? 0.2260 0.2474 0.1015 -0.0576 0.0133  0.0356  130 PHE C CB  
2706 C CG  . PHE C 116 ? 0.2065 0.2438 0.1073 -0.0344 -0.0067 0.0082  130 PHE C CG  
2707 C CD1 . PHE C 116 ? 0.1888 0.2400 0.1145 -0.0306 -0.0113 -0.0079 130 PHE C CD1 
2708 C CD2 . PHE C 116 ? 0.2095 0.2463 0.1115 -0.0339 0.0053  0.0010  130 PHE C CD2 
2709 C CE1 . PHE C 116 ? 0.1850 0.2362 0.0865 -0.0224 0.0143  -0.0002 130 PHE C CE1 
2710 C CE2 . PHE C 116 ? 0.2138 0.2442 0.1161 -0.0341 0.0188  0.0039  130 PHE C CE2 
2711 C CZ  . PHE C 116 ? 0.2087 0.2356 0.1100 -0.0147 0.0004  0.0003  130 PHE C CZ  
2712 N N   . THR C 117 ? 0.2027 0.2537 0.1376 -0.0647 0.0185  0.0443  131 THR C N   
2713 C CA  . THR C 117 ? 0.2335 0.2654 0.1494 -0.0819 0.0154  0.0359  131 THR C CA  
2714 C C   . THR C 117 ? 0.2297 0.2604 0.1759 -0.0804 0.0112  0.0401  131 THR C C   
2715 O O   . THR C 117 ? 0.2637 0.2547 0.1587 -0.0626 -0.0036 0.0488  131 THR C O   
2716 C CB  . THR C 117 ? 0.2869 0.2954 0.1827 -0.0577 0.0201  0.0350  131 THR C CB  
2717 O OG1 . THR C 117 ? 0.4039 0.3111 0.1947 -0.0098 -0.0091 0.0521  131 THR C OG1 
2718 C CG2 . THR C 117 ? 0.2703 0.2965 0.1801 -0.0584 0.0328  0.0344  131 THR C CG2 
2719 N N   . LYS C 118 ? 0.2697 0.2704 0.2138 -0.0779 0.0017  0.0398  132 LYS C N   
2720 C CA  . LYS C 118 ? 0.2964 0.2843 0.2405 -0.0844 -0.0233 0.0551  132 LYS C CA  
2721 C C   . LYS C 118 ? 0.3181 0.2912 0.2380 -0.0712 -0.0069 0.0580  132 LYS C C   
2722 O O   . LYS C 118 ? 0.3664 0.2902 0.2594 -0.0553 0.0047  0.0734  132 LYS C O   
2723 C CB  . LYS C 118 ? 0.3263 0.2956 0.2633 -0.0808 -0.0277 0.0692  132 LYS C CB  
2724 C CG  . LYS C 118 ? 0.3401 0.3013 0.2877 -0.0902 -0.0223 0.0695  132 LYS C CG  
2725 C CD  . LYS C 118 ? 0.3560 0.3097 0.3045 -0.0922 -0.0092 0.0675  132 LYS C CD  
2726 C CE  . LYS C 118 ? 0.3659 0.3172 0.3309 -0.0949 -0.0232 0.0595  132 LYS C CE  
2727 N NZ  . LYS C 118 ? 0.3526 0.3209 0.3286 -0.1010 -0.0412 0.0510  132 LYS C NZ  
2728 N N   . VAL C 119 ? 0.3012 0.3037 0.2334 -0.0560 -0.0268 0.0554  133 VAL C N   
2729 C CA  . VAL C 119 ? 0.3098 0.3162 0.2359 -0.0502 0.0194  0.0627  133 VAL C CA  
2730 C C   . VAL C 119 ? 0.3439 0.3221 0.2297 -0.0446 0.0116  0.0711  133 VAL C C   
2731 O O   . VAL C 119 ? 0.3592 0.3177 0.2306 -0.0462 0.0097  0.0708  133 VAL C O   
2732 C CB  . VAL C 119 ? 0.2911 0.3265 0.2613 -0.0523 0.0344  0.0392  133 VAL C CB  
2733 C CG1 . VAL C 119 ? 0.2680 0.3309 0.2814 -0.0565 0.0435  0.0301  133 VAL C CG1 
2734 C CG2 . VAL C 119 ? 0.3012 0.3288 0.2548 -0.0452 0.0446  0.0393  133 VAL C CG2 
2735 N N   . LYS C 120 ? 0.3420 0.3379 0.2318 -0.0442 0.0266  0.0699  134 LYS C N   
2736 C CA  . LYS C 120 ? 0.3718 0.3542 0.2346 -0.0475 0.0171  0.0566  134 LYS C CA  
2737 C C   . LYS C 120 ? 0.3634 0.3616 0.2287 -0.0613 0.0101  0.0606  134 LYS C C   
2738 O O   . LYS C 120 ? 0.3490 0.3678 0.2252 -0.0643 0.0187  0.0678  134 LYS C O   
2739 C CB  . LYS C 120 ? 0.3948 0.3652 0.2371 -0.0407 0.0411  0.0522  134 LYS C CB  
2740 C CG  . LYS C 120 ? 0.4307 0.3766 0.2637 -0.0382 0.0551  0.0428  134 LYS C CG  
2741 C CD  . LYS C 120 ? 0.4832 0.3853 0.3175 -0.0431 0.0504  0.0214  134 LYS C CD  
2742 C CE  . LYS C 120 ? 0.5238 0.3919 0.3667 -0.0544 0.0391  0.0056  134 LYS C CE  
2743 N NZ  . LYS C 120 ? 0.5497 0.3974 0.3943 -0.0564 0.0235  -0.0037 134 LYS C NZ  
2744 N N   . PRO C 121 ? 0.3806 0.3588 0.2426 -0.0720 0.0128  0.0421  135 PRO C N   
2745 C CA  . PRO C 121 ? 0.4009 0.3647 0.2633 -0.0733 0.0202  0.0181  135 PRO C CA  
2746 C C   . PRO C 121 ? 0.4399 0.3689 0.2791 -0.0585 0.0370  -0.0010 135 PRO C C   
2747 O O   . PRO C 121 ? 0.4403 0.3704 0.2830 -0.0532 0.0136  -0.0029 135 PRO C O   
2748 C CB  . PRO C 121 ? 0.3955 0.3652 0.2716 -0.0814 0.0322  0.0227  135 PRO C CB  
2749 C CG  . PRO C 121 ? 0.3743 0.3625 0.2563 -0.0831 0.0082  0.0336  135 PRO C CG  
2750 C CD  . PRO C 121 ? 0.3558 0.3575 0.2384 -0.0821 -0.0077 0.0449  135 PRO C CD  
2751 O OXT . PRO C 121 ? 0.4957 0.3732 0.2966 -0.0485 0.0336  -0.0059 135 PRO C OXT 
2752 N N   . GLY D 2   ? 0.3503 0.3577 0.3418 0.0193  -0.0608 0.0527  16  GLY D N   
2753 C CA  . GLY D 2   ? 0.3086 0.3517 0.2882 0.0073  -0.0654 0.0491  16  GLY D CA  
2754 C C   . GLY D 2   ? 0.2339 0.3409 0.2194 -0.0025 -0.0468 0.0492  16  GLY D C   
2755 O O   . GLY D 2   ? 0.2789 0.3426 0.2176 -0.0185 -0.0235 0.0569  16  GLY D O   
2756 N N   . ILE D 3   ? 0.1533 0.3357 0.1835 -0.0023 -0.0252 0.0374  17  ILE D N   
2757 C CA  . ILE D 3   ? 0.1568 0.3292 0.1521 -0.0025 -0.0045 0.0362  17  ILE D CA  
2758 C C   . ILE D 3   ? 0.1400 0.3168 0.1209 -0.0107 -0.0027 0.0240  17  ILE D C   
2759 O O   . ILE D 3   ? 0.1435 0.3072 0.1167 -0.0307 -0.0083 0.0158  17  ILE D O   
2760 C CB  . ILE D 3   ? 0.1778 0.3302 0.1714 -0.0156 0.0044  0.0455  17  ILE D CB  
2761 C CG1 . ILE D 3   ? 0.1989 0.3269 0.1967 -0.0308 0.0427  0.0497  17  ILE D CG1 
2762 C CG2 . ILE D 3   ? 0.1577 0.3323 0.1784 -0.0179 -0.0221 0.0359  17  ILE D CG2 
2763 C CD1 . ILE D 3   ? 0.1754 0.3332 0.2059 -0.0199 0.0623  0.0407  17  ILE D CD1 
2764 N N   . THR D 4   ? 0.1055 0.3207 0.1275 -0.0132 0.0196  0.0319  18  THR D N   
2765 C CA  . THR D 4   ? 0.1349 0.3272 0.1265 -0.0316 0.0172  0.0183  18  THR D CA  
2766 C C   . THR D 4   ? 0.1712 0.3195 0.1034 -0.0241 0.0086  0.0164  18  THR D C   
2767 O O   . THR D 4   ? 0.1918 0.3185 0.1136 -0.0018 -0.0063 0.0332  18  THR D O   
2768 C CB  . THR D 4   ? 0.1620 0.3390 0.1054 -0.0532 -0.0008 0.0196  18  THR D CB  
2769 O OG1 . THR D 4   ? 0.2029 0.3384 0.0934 -0.0502 0.0003  0.0235  18  THR D OG1 
2770 C CG2 . THR D 4   ? 0.2070 0.3421 0.1148 -0.0483 -0.0123 0.0305  18  THR D CG2 
2771 N N   . GLY D 5   ? 0.1815 0.3165 0.1062 -0.0324 0.0100  0.0188  19  GLY D N   
2772 C CA  . GLY D 5   ? 0.1538 0.3079 0.0934 -0.0383 -0.0014 0.0144  19  GLY D CA  
2773 C C   . GLY D 5   ? 0.1369 0.2962 0.0858 -0.0359 0.0213  -0.0039 19  GLY D C   
2774 O O   . GLY D 5   ? 0.1468 0.2957 0.0934 -0.0298 0.0094  0.0154  19  GLY D O   
2775 N N   . THR D 6   ? 0.1403 0.3070 0.0951 -0.0398 0.0206  -0.0130 20  THR D N   
2776 C CA  . THR D 6   ? 0.1174 0.3091 0.1045 -0.0309 0.0212  -0.0105 20  THR D CA  
2777 C C   . THR D 6   ? 0.1472 0.2942 0.0901 -0.0132 0.0242  0.0294  20  THR D C   
2778 O O   . THR D 6   ? 0.2019 0.3032 0.1138 -0.0021 0.0269  0.0482  20  THR D O   
2779 C CB  . THR D 6   ? 0.1325 0.3317 0.1367 -0.0435 0.0171  -0.0380 20  THR D CB  
2780 O OG1 . THR D 6   ? 0.1702 0.3466 0.1701 -0.0508 0.0222  -0.0756 20  THR D OG1 
2781 C CG2 . THR D 6   ? 0.1315 0.3337 0.1520 -0.0394 0.0057  -0.0251 20  THR D CG2 
2782 N N   . TRP D 7   ? 0.1331 0.2877 0.0799 -0.0138 0.0173  0.0088  21  TRP D N   
2783 C CA  . TRP D 7   ? 0.1198 0.2975 0.0832 -0.0233 0.0092  -0.0020 21  TRP D CA  
2784 C C   . TRP D 7   ? 0.1173 0.2875 0.0987 -0.0297 0.0050  -0.0022 21  TRP D C   
2785 O O   . TRP D 7   ? 0.1518 0.2727 0.1166 -0.0174 -0.0015 -0.0019 21  TRP D O   
2786 C CB  . TRP D 7   ? 0.1305 0.3029 0.0957 -0.0107 0.0047  -0.0052 21  TRP D CB  
2787 C CG  . TRP D 7   ? 0.1440 0.3069 0.0800 -0.0122 0.0091  -0.0015 21  TRP D CG  
2788 C CD1 . TRP D 7   ? 0.1436 0.3084 0.1099 -0.0284 -0.0117 0.0004  21  TRP D CD1 
2789 C CD2 . TRP D 7   ? 0.1287 0.2959 0.0969 0.0029  0.0325  0.0155  21  TRP D CD2 
2790 N NE1 . TRP D 7   ? 0.1482 0.3080 0.1145 -0.0218 -0.0090 0.0201  21  TRP D NE1 
2791 C CE2 . TRP D 7   ? 0.1349 0.3041 0.1160 -0.0032 0.0103  0.0347  21  TRP D CE2 
2792 C CE3 . TRP D 7   ? 0.1550 0.3053 0.1132 -0.0107 0.0177  0.0280  21  TRP D CE3 
2793 C CZ2 . TRP D 7   ? 0.1656 0.3087 0.1331 -0.0041 0.0379  0.0223  21  TRP D CZ2 
2794 C CZ3 . TRP D 7   ? 0.1435 0.3142 0.1325 -0.0055 0.0051  0.0202  21  TRP D CZ3 
2795 C CH2 . TRP D 7   ? 0.1698 0.3139 0.1268 0.0002  0.0338  0.0112  21  TRP D CH2 
2796 N N   . TYR D 8   ? 0.1048 0.2904 0.1070 -0.0323 0.0035  -0.0010 22  TYR D N   
2797 C CA  . TYR D 8   ? 0.1078 0.3016 0.0908 -0.0317 -0.0034 0.0026  22  TYR D CA  
2798 C C   . TYR D 8   ? 0.1177 0.3056 0.1085 -0.0137 -0.0200 0.0064  22  TYR D C   
2799 O O   . TYR D 8   ? 0.1740 0.2983 0.1203 -0.0092 -0.0195 0.0398  22  TYR D O   
2800 C CB  . TYR D 8   ? 0.1327 0.3155 0.0925 -0.0462 0.0160  0.0112  22  TYR D CB  
2801 C CG  . TYR D 8   ? 0.1436 0.3221 0.1066 -0.0140 0.0264  0.0150  22  TYR D CG  
2802 C CD1 . TYR D 8   ? 0.1378 0.3302 0.1310 -0.0062 0.0278  0.0198  22  TYR D CD1 
2803 C CD2 . TYR D 8   ? 0.1370 0.3230 0.0844 0.0018  0.0079  0.0121  22  TYR D CD2 
2804 C CE1 . TYR D 8   ? 0.1510 0.3354 0.1250 0.0177  0.0020  0.0141  22  TYR D CE1 
2805 C CE2 . TYR D 8   ? 0.1451 0.3282 0.1131 0.0002  0.0132  0.0127  22  TYR D CE2 
2806 C CZ  . TYR D 8   ? 0.1199 0.3256 0.1144 0.0101  0.0334  0.0144  22  TYR D CZ  
2807 O OH  . TYR D 8   ? 0.1548 0.3378 0.1047 0.0121  0.0073  0.0053  22  TYR D OH  
2808 N N   . ASN D 9   ? 0.1211 0.3151 0.1131 -0.0143 -0.0079 -0.0121 23  ASN D N   
2809 C CA  . ASN D 9   ? 0.1842 0.3258 0.1281 -0.0180 0.0066  -0.0161 23  ASN D CA  
2810 C C   . ASN D 9   ? 0.2031 0.3412 0.1823 -0.0266 0.0341  -0.0263 23  ASN D C   
2811 O O   . ASN D 9   ? 0.2168 0.3469 0.2231 -0.0281 0.0429  -0.0197 23  ASN D O   
2812 C CB  . ASN D 9   ? 0.2278 0.3204 0.1391 -0.0009 0.0253  -0.0106 23  ASN D CB  
2813 C CG  . ASN D 9   ? 0.2885 0.3174 0.1751 0.0353  0.0073  -0.0146 23  ASN D CG  
2814 O OD1 . ASN D 9   ? 0.2803 0.3154 0.2140 0.0408  -0.0865 -0.0254 23  ASN D OD1 
2815 N ND2 . ASN D 9   ? 0.3399 0.3239 0.1970 0.0658  0.0376  -0.0079 23  ASN D ND2 
2816 N N   . GLN D 10  ? 0.2300 0.3530 0.2365 -0.0274 0.0233  -0.0476 24  GLN D N   
2817 C CA  . GLN D 10  ? 0.2693 0.3705 0.2988 -0.0191 -0.0002 -0.0536 24  GLN D CA  
2818 C C   . GLN D 10  ? 0.3277 0.3786 0.3764 -0.0159 -0.0087 -0.0712 24  GLN D C   
2819 O O   . GLN D 10  ? 0.3534 0.3829 0.4266 -0.0281 0.0099  -0.0742 24  GLN D O   
2820 C CB  . GLN D 10  ? 0.2898 0.3714 0.2717 -0.0169 -0.0035 -0.0474 24  GLN D CB  
2821 C CG  . GLN D 10  ? 0.2455 0.3688 0.2414 -0.0190 -0.0041 -0.0344 24  GLN D CG  
2822 C CD  . GLN D 10  ? 0.2073 0.3653 0.2056 -0.0127 -0.0164 -0.0126 24  GLN D CD  
2823 O OE1 . GLN D 10  ? 0.1730 0.3637 0.1860 -0.0320 0.0045  -0.0209 24  GLN D OE1 
2824 N NE2 . GLN D 10  ? 0.1737 0.3664 0.2147 -0.0078 -0.0331 -0.0026 24  GLN D NE2 
2825 N N   . LEU D 11  ? 0.3461 0.3782 0.3924 -0.0035 -0.0376 -0.0787 25  LEU D N   
2826 C CA  . LEU D 11  ? 0.3897 0.3822 0.4129 0.0038  -0.0105 -0.0792 25  LEU D CA  
2827 C C   . LEU D 11  ? 0.3994 0.3836 0.4400 0.0121  0.0070  -0.0762 25  LEU D C   
2828 O O   . LEU D 11  ? 0.3809 0.3883 0.4751 0.0346  -0.0127 -0.0757 25  LEU D O   
2829 C CB  . LEU D 11  ? 0.4354 0.3880 0.4059 -0.0009 -0.0108 -0.0723 25  LEU D CB  
2830 C CG  . LEU D 11  ? 0.4932 0.3947 0.4108 -0.0151 0.0013  -0.0653 25  LEU D CG  
2831 C CD1 . LEU D 11  ? 0.5089 0.3967 0.4117 -0.0228 0.0062  -0.0608 25  LEU D CD1 
2832 C CD2 . LEU D 11  ? 0.5167 0.3968 0.4071 -0.0204 0.0045  -0.0695 25  LEU D CD2 
2833 N N   . GLY D 12  ? 0.4183 0.3791 0.4015 -0.0061 0.0511  -0.0728 26  GLY D N   
2834 C CA  . GLY D 12  ? 0.4148 0.3747 0.3740 -0.0194 0.0782  -0.0738 26  GLY D CA  
2835 C C   . GLY D 12  ? 0.3787 0.3694 0.3151 -0.0237 0.0852  -0.0733 26  GLY D C   
2836 O O   . GLY D 12  ? 0.4071 0.3793 0.3590 -0.0174 0.1036  -0.0809 26  GLY D O   
2837 N N   . SER D 13  ? 0.2768 0.3548 0.2123 -0.0205 0.0417  -0.0486 27  SER D N   
2838 C CA  . SER D 13  ? 0.2466 0.3449 0.1625 -0.0039 -0.0101 -0.0265 27  SER D CA  
2839 C C   . SER D 13  ? 0.2089 0.3379 0.1445 -0.0031 -0.0176 -0.0100 27  SER D C   
2840 O O   . SER D 13  ? 0.2746 0.3279 0.1330 0.0077  0.0144  -0.0115 27  SER D O   
2841 C CB  . SER D 13  ? 0.2715 0.3477 0.1617 0.0086  -0.0472 -0.0135 27  SER D CB  
2842 O OG  . SER D 13  ? 0.3306 0.3525 0.1978 0.0080  -0.0649 -0.0210 27  SER D OG  
2843 N N   . THR D 14  ? 0.1557 0.3390 0.1264 -0.0277 -0.0178 -0.0196 28  THR D N   
2844 C CA  . THR D 14  ? 0.1584 0.3506 0.1271 -0.0281 -0.0134 -0.0075 28  THR D CA  
2845 C C   . THR D 14  ? 0.1546 0.3189 0.1245 -0.0047 -0.0372 -0.0068 28  THR D C   
2846 O O   . THR D 14  ? 0.2102 0.3193 0.1909 0.0307  -0.0398 0.0072  28  THR D O   
2847 C CB  . THR D 14  ? 0.2025 0.3933 0.1414 -0.0413 -0.0086 0.0025  28  THR D CB  
2848 O OG1 . THR D 14  ? 0.2109 0.4164 0.1999 -0.0250 0.0025  -0.0007 28  THR D OG1 
2849 C CG2 . THR D 14  ? 0.1836 0.4042 0.1295 -0.0511 -0.0002 0.0159  28  THR D CG2 
2850 N N   A PHE D 15  ? 0.1521 0.3046 0.1217 -0.0191 -0.0361 -0.0005 29  PHE D N   
2851 N N   B PHE D 15  ? 0.1099 0.3000 0.1065 -0.0160 -0.0106 -0.0081 29  PHE D N   
2852 C CA  A PHE D 15  ? 0.1843 0.2931 0.1258 -0.0144 -0.0255 -0.0041 29  PHE D CA  
2853 C CA  B PHE D 15  ? 0.1166 0.2856 0.0949 -0.0051 0.0198  -0.0124 29  PHE D CA  
2854 C C   A PHE D 15  ? 0.1739 0.2794 0.1072 -0.0097 -0.0115 0.0011  29  PHE D C   
2855 C C   B PHE D 15  ? 0.1251 0.2835 0.0797 -0.0022 -0.0008 -0.0179 29  PHE D C   
2856 O O   A PHE D 15  ? 0.1974 0.2645 0.0813 -0.0158 -0.0052 0.0112  29  PHE D O   
2857 O O   B PHE D 15  ? 0.1578 0.2871 0.1130 0.0129  0.0165  -0.0177 29  PHE D O   
2858 C CB  A PHE D 15  ? 0.1903 0.2910 0.0849 -0.0087 0.0029  -0.0019 29  PHE D CB  
2859 C CB  B PHE D 15  ? 0.0991 0.2712 0.1172 -0.0052 0.0132  0.0126  29  PHE D CB  
2860 C CG  A PHE D 15  ? 0.1467 0.2897 0.0921 -0.0005 0.0197  0.0117  29  PHE D CG  
2861 C CG  B PHE D 15  ? 0.1225 0.2624 0.1234 0.0031  0.0025  0.0237  29  PHE D CG  
2862 C CD1 A PHE D 15  ? 0.1515 0.2895 0.1239 -0.0199 0.0216  0.0238  29  PHE D CD1 
2863 C CD1 B PHE D 15  ? 0.1112 0.2615 0.1166 0.0028  0.0175  0.0231  29  PHE D CD1 
2864 C CD2 A PHE D 15  ? 0.1341 0.2905 0.1223 0.0002  0.0258  0.0205  29  PHE D CD2 
2865 C CD2 B PHE D 15  ? 0.1167 0.2577 0.1204 0.0071  0.0015  0.0292  29  PHE D CD2 
2866 C CE1 A PHE D 15  ? 0.1063 0.2875 0.1302 -0.0039 0.0262  0.0217  29  PHE D CE1 
2867 C CE1 B PHE D 15  ? 0.1183 0.2578 0.1086 0.0119  -0.0080 0.0240  29  PHE D CE1 
2868 C CE2 A PHE D 15  ? 0.1027 0.2790 0.1256 -0.0059 0.0377  0.0268  29  PHE D CE2 
2869 C CE2 B PHE D 15  ? 0.1464 0.2534 0.1146 0.0133  0.0038  0.0271  29  PHE D CE2 
2870 C CZ  A PHE D 15  ? 0.0912 0.2858 0.1266 0.0060  0.0106  0.0299  29  PHE D CZ  
2871 C CZ  B PHE D 15  ? 0.1303 0.2550 0.0941 0.0043  0.0011  0.0211  29  PHE D CZ  
2872 N N   A ILE D 16  ? 0.1425 0.2763 0.1205 -0.0060 0.0090  0.0032  30  ILE D N   
2873 N N   B ILE D 16  ? 0.1161 0.2753 0.0731 -0.0130 0.0080  -0.0138 30  ILE D N   
2874 C CA  A ILE D 16  ? 0.1743 0.2848 0.1299 -0.0122 0.0316  -0.0032 30  ILE D CA  
2875 C CA  B ILE D 16  ? 0.1209 0.2831 0.0813 -0.0166 0.0193  -0.0141 30  ILE D CA  
2876 C C   A ILE D 16  ? 0.1571 0.2926 0.1208 -0.0092 0.0365  -0.0018 30  ILE D C   
2877 C C   B ILE D 16  ? 0.0952 0.2899 0.0821 -0.0136 0.0125  -0.0089 30  ILE D C   
2878 O O   A ILE D 16  ? 0.1828 0.2990 0.1348 -0.0014 0.0425  -0.0026 30  ILE D O   
2879 O O   B ILE D 16  ? 0.0829 0.2793 0.0858 -0.0092 0.0124  -0.0001 30  ILE D O   
2880 C CB  A ILE D 16  ? 0.2444 0.2861 0.1180 -0.0121 0.0143  0.0094  30  ILE D CB  
2881 C CB  B ILE D 16  ? 0.1140 0.2835 0.1123 -0.0223 -0.0020 -0.0233 30  ILE D CB  
2882 C CG1 A ILE D 16  ? 0.3118 0.2887 0.1559 -0.0014 0.0294  0.0279  30  ILE D CG1 
2883 C CG1 B ILE D 16  ? 0.0729 0.2632 0.1410 -0.0243 -0.0006 -0.0267 30  ILE D CG1 
2884 C CG2 A ILE D 16  ? 0.2606 0.2820 0.1000 -0.0209 0.0057  0.0222  30  ILE D CG2 
2885 C CG2 B ILE D 16  ? 0.1525 0.2854 0.0884 -0.0146 -0.0104 -0.0399 30  ILE D CG2 
2886 C CD1 A ILE D 16  ? 0.3584 0.2912 0.1920 0.0053  0.0230  0.0342  30  ILE D CD1 
2887 C CD1 B ILE D 16  ? 0.0935 0.2808 0.1963 -0.0340 -0.0036 -0.0280 30  ILE D CD1 
2888 N N   . VAL D 17  ? 0.0982 0.2950 0.1196 -0.0139 0.0205  -0.0005 31  VAL D N   
2889 C CA  . VAL D 17  ? 0.1044 0.3028 0.1364 -0.0149 0.0121  0.0141  31  VAL D CA  
2890 C C   . VAL D 17  ? 0.1433 0.3095 0.1299 -0.0174 0.0135  0.0107  31  VAL D C   
2891 O O   . VAL D 17  ? 0.1473 0.3122 0.0977 -0.0218 -0.0003 0.0317  31  VAL D O   
2892 C CB  . VAL D 17  ? 0.1057 0.3070 0.1258 0.0046  0.0070  0.0312  31  VAL D CB  
2893 C CG1 . VAL D 17  ? 0.1708 0.3096 0.1404 0.0138  0.0261  0.0287  31  VAL D CG1 
2894 C CG2 . VAL D 17  ? 0.1482 0.3089 0.1144 -0.0183 0.0134  0.0219  31  VAL D CG2 
2895 N N   . THR D 18  ? 0.1402 0.3105 0.1279 -0.0321 -0.0024 -0.0009 32  THR D N   
2896 C CA  . THR D 18  ? 0.1229 0.3194 0.1434 -0.0273 0.0181  -0.0089 32  THR D CA  
2897 C C   . THR D 18  ? 0.1527 0.3262 0.1333 -0.0286 0.0267  0.0073  32  THR D C   
2898 O O   . THR D 18  ? 0.1405 0.3181 0.1473 -0.0513 0.0037  0.0370  32  THR D O   
2899 C CB  . THR D 18  ? 0.2073 0.3269 0.1693 -0.0357 0.0300  -0.0288 32  THR D CB  
2900 O OG1 . THR D 18  ? 0.2952 0.3322 0.1775 -0.0543 0.0671  -0.0192 32  THR D OG1 
2901 C CG2 . THR D 18  ? 0.2574 0.3276 0.1817 -0.0481 0.0359  -0.0497 32  THR D CG2 
2902 N N   . ALA D 19  ? 0.1417 0.3323 0.1341 -0.0380 0.0296  0.0146  33  ALA D N   
2903 C CA  . ALA D 19  ? 0.1473 0.3519 0.1318 -0.0249 0.0060  0.0283  33  ALA D CA  
2904 C C   . ALA D 19  ? 0.1746 0.3613 0.0974 -0.0339 0.0108  0.0188  33  ALA D C   
2905 O O   . ALA D 19  ? 0.2028 0.3708 0.1390 -0.0394 0.0013  0.0684  33  ALA D O   
2906 C CB  . ALA D 19  ? 0.1632 0.3599 0.1358 -0.0111 0.0038  0.0320  33  ALA D CB  
2907 N N   . GLY D 20  ? 0.1792 0.3606 0.1036 -0.0391 -0.0252 -0.0123 34  GLY D N   
2908 C CA  . GLY D 20  ? 0.2059 0.3732 0.1244 -0.0375 -0.0077 -0.0093 34  GLY D CA  
2909 C C   . GLY D 20  ? 0.1900 0.3816 0.1247 -0.0470 -0.0232 0.0020  34  GLY D C   
2910 O O   . GLY D 20  ? 0.2497 0.3765 0.1476 -0.0471 0.0130  0.0164  34  GLY D O   
2911 N N   . ALA D 21  ? 0.1767 0.3958 0.1647 -0.0458 -0.0225 -0.0168 35  ALA D N   
2912 C CA  . ALA D 21  ? 0.2101 0.4102 0.1735 -0.0469 -0.0385 -0.0163 35  ALA D CA  
2913 C C   . ALA D 21  ? 0.3023 0.4206 0.1971 -0.0618 -0.0347 -0.0123 35  ALA D C   
2914 O O   . ALA D 21  ? 0.3584 0.4334 0.2416 -0.0541 0.0072  -0.0112 35  ALA D O   
2915 C CB  . ALA D 21  ? 0.2290 0.4159 0.1513 -0.0402 -0.0653 -0.0255 35  ALA D CB  
2916 N N   . ASP D 22  ? 0.3093 0.4144 0.1802 -0.0993 -0.0362 0.0029  36  ASP D N   
2917 C CA  . ASP D 22  ? 0.3221 0.4125 0.1933 -0.1058 -0.0466 -0.0194 36  ASP D CA  
2918 C C   . ASP D 22  ? 0.2816 0.4018 0.1647 -0.1037 -0.0229 -0.0076 36  ASP D C   
2919 O O   . ASP D 22  ? 0.3143 0.4187 0.1735 -0.1286 -0.0347 -0.0081 36  ASP D O   
2920 C CB  . ASP D 22  ? 0.3994 0.4195 0.2825 -0.1076 -0.0707 -0.0379 36  ASP D CB  
2921 C CG  . ASP D 22  ? 0.4687 0.4270 0.3871 -0.0929 -0.0912 -0.0408 36  ASP D CG  
2922 O OD1 . ASP D 22  ? 0.4760 0.4301 0.4218 -0.0911 -0.1270 -0.0312 36  ASP D OD1 
2923 O OD2 . ASP D 22  ? 0.5096 0.4340 0.4298 -0.0835 -0.0908 -0.0535 36  ASP D OD2 
2924 N N   . GLY D 23  ? 0.1675 0.3686 0.1431 -0.0716 -0.0131 0.0037  37  GLY D N   
2925 C CA  . GLY D 23  ? 0.1609 0.3305 0.1171 -0.0455 -0.0306 0.0058  37  GLY D CA  
2926 C C   . GLY D 23  ? 0.1336 0.2880 0.1017 -0.0377 -0.0351 -0.0058 37  GLY D C   
2927 O O   . GLY D 23  ? 0.1548 0.2783 0.1128 -0.0301 -0.0357 -0.0146 37  GLY D O   
2928 N N   . ALA D 24  ? 0.1544 0.2799 0.1140 -0.0197 0.0001  -0.0190 38  ALA D N   
2929 C CA  . ALA D 24  ? 0.1581 0.2770 0.1230 -0.0206 -0.0036 -0.0294 38  ALA D CA  
2930 C C   . ALA D 24  ? 0.1550 0.2708 0.0992 -0.0263 -0.0105 -0.0100 38  ALA D C   
2931 O O   . ALA D 24  ? 0.1982 0.2770 0.0834 -0.0386 -0.0250 0.0180  38  ALA D O   
2932 C CB  . ALA D 24  ? 0.2137 0.2792 0.1458 -0.0130 0.0133  -0.0350 38  ALA D CB  
2933 N N   . LEU D 25  ? 0.1187 0.2674 0.1001 -0.0062 -0.0137 -0.0305 39  LEU D N   
2934 C CA  . LEU D 25  ? 0.1340 0.2742 0.1089 -0.0132 0.0100  -0.0201 39  LEU D CA  
2935 C C   . LEU D 25  ? 0.1445 0.2838 0.0759 -0.0014 0.0001  -0.0232 39  LEU D C   
2936 O O   . LEU D 25  ? 0.1672 0.2860 0.0991 0.0092  0.0249  -0.0097 39  LEU D O   
2937 C CB  . LEU D 25  ? 0.1259 0.2764 0.0981 -0.0139 -0.0050 -0.0116 39  LEU D CB  
2938 C CG  . LEU D 25  ? 0.1280 0.2851 0.0912 0.0044  0.0275  0.0003  39  LEU D CG  
2939 C CD1 . LEU D 25  ? 0.1351 0.2996 0.1173 -0.0037 -0.0157 0.0098  39  LEU D CD1 
2940 C CD2 . LEU D 25  ? 0.1535 0.2863 0.0979 0.0029  0.0250  0.0309  39  LEU D CD2 
2941 N N   . THR D 26  ? 0.1496 0.2978 0.0850 -0.0127 0.0145  -0.0316 40  THR D N   
2942 C CA  . THR D 26  ? 0.1440 0.2944 0.0935 -0.0180 0.0304  -0.0307 40  THR D CA  
2943 C C   . THR D 26  ? 0.1718 0.2968 0.1044 -0.0209 0.0275  -0.0096 40  THR D C   
2944 O O   . THR D 26  ? 0.1653 0.3018 0.1911 -0.0194 -0.0035 0.0325  40  THR D O   
2945 C CB  . THR D 26  ? 0.1802 0.3206 0.1159 -0.0213 0.0390  -0.0430 40  THR D CB  
2946 O OG1 . THR D 26  ? 0.2260 0.3297 0.1526 -0.0228 -0.0028 -0.0297 40  THR D OG1 
2947 C CG2 . THR D 26  ? 0.1715 0.3143 0.1478 -0.0156 0.0604  -0.0697 40  THR D CG2 
2948 N N   . GLY D 27  ? 0.1723 0.2837 0.1107 -0.0174 0.0177  -0.0233 41  GLY D N   
2949 C CA  . GLY D 27  ? 0.1404 0.2808 0.1012 -0.0230 -0.0014 -0.0110 41  GLY D CA  
2950 C C   . GLY D 27  ? 0.1260 0.2739 0.0835 -0.0012 -0.0116 -0.0314 41  GLY D C   
2951 O O   . GLY D 27  ? 0.1425 0.2600 0.1139 0.0141  0.0296  -0.0200 41  GLY D O   
2952 N N   A THR D 28  ? 0.1276 0.2769 0.1121 -0.0045 -0.0173 -0.0416 42  THR D N   
2953 N N   B THR D 28  ? 0.1228 0.2756 0.1169 0.0016  -0.0180 -0.0380 42  THR D N   
2954 C CA  A THR D 28  ? 0.1239 0.2859 0.1395 0.0079  -0.0051 -0.0470 42  THR D CA  
2955 C CA  B THR D 28  ? 0.1162 0.2782 0.1418 0.0076  -0.0152 -0.0425 42  THR D CA  
2956 C C   A THR D 28  ? 0.1318 0.2855 0.1379 0.0232  -0.0223 -0.0275 42  THR D C   
2957 C C   B THR D 28  ? 0.1381 0.2826 0.1340 0.0151  -0.0035 -0.0310 42  THR D C   
2958 O O   A THR D 28  ? 0.1482 0.2922 0.1478 0.0278  -0.0510 -0.0204 42  THR D O   
2959 O O   B THR D 28  ? 0.1565 0.2894 0.1434 0.0164  0.0025  -0.0292 42  THR D O   
2960 C CB  A THR D 28  ? 0.1241 0.2993 0.1618 0.0170  -0.0122 -0.0690 42  THR D CB  
2961 C CB  B THR D 28  ? 0.0956 0.2717 0.1752 0.0084  -0.0428 -0.0515 42  THR D CB  
2962 O OG1 A THR D 28  ? 0.1697 0.3108 0.2006 0.0079  0.0194  -0.0700 42  THR D OG1 
2963 O OG1 B THR D 28  ? 0.1104 0.2809 0.1993 0.0100  -0.0218 -0.0626 42  THR D OG1 
2964 C CG2 A THR D 28  ? 0.0995 0.3033 0.1817 0.0275  0.0100  -0.0654 42  THR D CG2 
2965 C CG2 B THR D 28  ? 0.0899 0.2541 0.1902 0.0047  -0.0473 -0.0382 42  THR D CG2 
2966 N N   . TYR D 29  ? 0.1532 0.2802 0.1094 0.0185  0.0024  -0.0320 43  TYR D N   
2967 C CA  . TYR D 29  ? 0.1408 0.2838 0.1111 0.0212  0.0142  -0.0412 43  TYR D CA  
2968 C C   . TYR D 29  ? 0.1148 0.2945 0.1169 0.0162  0.0146  -0.0305 43  TYR D C   
2969 O O   . TYR D 29  ? 0.1401 0.2877 0.1492 0.0241  -0.0146 -0.0217 43  TYR D O   
2970 C CB  . TYR D 29  ? 0.1666 0.2780 0.0814 0.0119  0.0035  -0.0394 43  TYR D CB  
2971 C CG  . TYR D 29  ? 0.1336 0.2714 0.0718 0.0121  0.0006  -0.0178 43  TYR D CG  
2972 C CD1 . TYR D 29  ? 0.1962 0.2735 0.0808 -0.0040 0.0038  -0.0305 43  TYR D CD1 
2973 C CD2 . TYR D 29  ? 0.1747 0.2720 0.0887 0.0063  0.0094  -0.0011 43  TYR D CD2 
2974 C CE1 . TYR D 29  ? 0.2199 0.2783 0.0978 0.0008  0.0108  -0.0337 43  TYR D CE1 
2975 C CE2 . TYR D 29  ? 0.2115 0.2687 0.0748 -0.0062 0.0130  0.0066  43  TYR D CE2 
2976 C CZ  . TYR D 29  ? 0.2542 0.2694 0.0938 0.0043  0.0143  -0.0139 43  TYR D CZ  
2977 O OH  . TYR D 29  ? 0.2758 0.2607 0.1174 0.0114  0.0234  -0.0180 43  TYR D OH  
2978 N N   . GLU D 30  ? 0.1244 0.3132 0.1270 0.0143  -0.0150 -0.0154 44  GLU D N   
2979 C CA  . GLU D 30  ? 0.1627 0.3237 0.1781 0.0140  0.0114  -0.0083 44  GLU D CA  
2980 C C   . GLU D 30  ? 0.1600 0.3305 0.2079 -0.0019 -0.0411 -0.0082 44  GLU D C   
2981 O O   . GLU D 30  ? 0.1843 0.3261 0.1911 -0.0057 -0.0233 -0.0130 44  GLU D O   
2982 C CB  . GLU D 30  ? 0.2220 0.3347 0.1834 0.0349  0.0198  -0.0083 44  GLU D CB  
2983 C CG  . GLU D 30  ? 0.2666 0.3403 0.2109 0.0266  0.0046  -0.0096 44  GLU D CG  
2984 C CD  . GLU D 30  ? 0.3302 0.3514 0.2752 0.0238  0.0055  -0.0050 44  GLU D CD  
2985 O OE1 . GLU D 30  ? 0.3533 0.3554 0.3050 0.0313  -0.0075 -0.0055 44  GLU D OE1 
2986 O OE2 . GLU D 30  ? 0.3726 0.3618 0.2840 0.0135  0.0056  -0.0008 44  GLU D OE2 
2987 N N   . SER D 31  ? 0.1796 0.3332 0.2508 -0.0219 -0.0161 -0.0170 45  SER D N   
2988 C CA  . SER D 31  ? 0.2045 0.3417 0.3200 -0.0417 -0.0250 -0.0159 45  SER D CA  
2989 C C   . SER D 31  ? 0.2457 0.3504 0.3562 -0.0477 0.0098  -0.0118 45  SER D C   
2990 O O   . SER D 31  ? 0.2863 0.3587 0.3680 -0.0535 0.0306  -0.0123 45  SER D O   
2991 C CB  . SER D 31  ? 0.2175 0.3439 0.3452 -0.0377 -0.0365 -0.0173 45  SER D CB  
2992 O OG  . SER D 31  ? 0.2261 0.3475 0.3740 -0.0443 -0.0340 -0.0107 45  SER D OG  
2993 N N   . ALA D 32  ? 0.2651 0.3511 0.4017 -0.0382 0.0443  -0.0063 46  ALA D N   
2994 C CA  . ALA D 32  ? 0.3375 0.3565 0.4404 -0.0265 0.0728  -0.0073 46  ALA D CA  
2995 C C   . ALA D 32  ? 0.3904 0.3623 0.4612 -0.0015 0.0750  -0.0005 46  ALA D C   
2996 O O   . ALA D 32  ? 0.4275 0.3671 0.4805 0.0019  0.0726  0.0103  46  ALA D O   
2997 C CB  . ALA D 32  ? 0.3496 0.3571 0.4598 -0.0407 0.0944  -0.0158 46  ALA D CB  
2998 N N   . VAL D 33  ? 0.3945 0.3602 0.4677 0.0256  0.0723  -0.0070 47  VAL D N   
2999 C CA  . VAL D 33  ? 0.3953 0.3610 0.4707 0.0374  0.0679  -0.0153 47  VAL D CA  
3000 C C   . VAL D 33  ? 0.3862 0.3639 0.4561 0.0340  0.0698  -0.0109 47  VAL D C   
3001 O O   . VAL D 33  ? 0.4113 0.3680 0.4595 0.0248  0.0796  0.0013  47  VAL D O   
3002 C CB  . VAL D 33  ? 0.4319 0.3627 0.4904 0.0475  0.0613  -0.0252 47  VAL D CB  
3003 C CG1 . VAL D 33  ? 0.4327 0.3642 0.4997 0.0550  0.0678  -0.0241 47  VAL D CG1 
3004 C CG2 . VAL D 33  ? 0.4561 0.3648 0.4900 0.0496  0.0477  -0.0290 47  VAL D CG2 
3005 N N   . GLY D 34  ? 0.3407 0.3599 0.4414 0.0422  0.0626  -0.0176 48  GLY D N   
3006 C CA  . GLY D 34  ? 0.3057 0.3570 0.4405 0.0403  0.0452  -0.0242 48  GLY D CA  
3007 C C   . GLY D 34  ? 0.2567 0.3509 0.4349 0.0424  0.0104  -0.0289 48  GLY D C   
3008 O O   . GLY D 34  ? 0.2754 0.3579 0.4529 0.0490  0.0089  -0.0274 48  GLY D O   
3009 N N   . ASN D 35  ? 0.1853 0.3430 0.4198 0.0265  -0.0056 -0.0300 49  ASN D N   
3010 C CA  . ASN D 35  ? 0.1488 0.3360 0.4207 0.0104  0.0028  -0.0313 49  ASN D CA  
3011 C C   . ASN D 35  ? 0.1589 0.3369 0.4126 0.0192  0.0121  -0.0339 49  ASN D C   
3012 O O   . ASN D 35  ? 0.1632 0.3359 0.3994 0.0157  0.0118  -0.0271 49  ASN D O   
3013 C CB  . ASN D 35  ? 0.1595 0.3323 0.4524 -0.0112 -0.0091 -0.0337 49  ASN D CB  
3014 C CG  . ASN D 35  ? 0.1757 0.3300 0.4641 0.0042  -0.0555 -0.0357 49  ASN D CG  
3015 O OD1 . ASN D 35  ? 0.2184 0.3326 0.4919 0.0026  -0.0492 -0.0435 49  ASN D OD1 
3016 N ND2 . ASN D 35  ? 0.2281 0.3249 0.4671 0.0009  -0.0184 -0.0338 49  ASN D ND2 
3017 N N   . ALA D 36  ? 0.1866 0.3402 0.4244 0.0281  0.0310  -0.0440 50  ALA D N   
3018 C CA  . ALA D 36  ? 0.1827 0.3452 0.4319 0.0349  0.0295  -0.0639 50  ALA D CA  
3019 C C   . ALA D 36  ? 0.1263 0.3424 0.4213 0.0406  0.0037  -0.0721 50  ALA D C   
3020 O O   . ALA D 36  ? 0.1183 0.3471 0.3998 0.0380  0.0143  -0.0545 50  ALA D O   
3021 C CB  . ALA D 36  ? 0.2109 0.3452 0.4145 0.0383  0.0546  -0.0760 50  ALA D CB  
3022 N N   . GLU D 37  ? 0.1482 0.3464 0.4319 0.0304  -0.0355 -0.0655 51  GLU D N   
3023 C CA  . GLU D 37  ? 0.1245 0.3456 0.4128 0.0235  -0.0551 -0.0452 51  GLU D CA  
3024 C C   . GLU D 37  ? 0.1350 0.3370 0.3841 0.0280  -0.0631 -0.0516 51  GLU D C   
3025 O O   . GLU D 37  ? 0.1283 0.3298 0.3723 0.0215  -0.0766 -0.0391 51  GLU D O   
3026 C CB  . GLU D 37  ? 0.1211 0.3688 0.4491 0.0189  -0.0312 -0.0280 51  GLU D CB  
3027 C CG  . GLU D 37  ? 0.1458 0.3824 0.5267 0.0280  -0.0406 -0.0212 51  GLU D CG  
3028 C CD  . GLU D 37  ? 0.1430 0.3847 0.5229 0.0165  -0.0522 -0.0232 51  GLU D CD  
3029 O OE1 . GLU D 37  ? 0.1399 0.3831 0.5420 -0.0022 -0.0221 -0.0274 51  GLU D OE1 
3030 O OE2 . GLU D 37  ? 0.1565 0.3918 0.5416 0.0171  -0.0672 -0.0254 51  GLU D OE2 
3031 N N   . SER D 38  ? 0.1238 0.3269 0.3283 0.0403  -0.0645 -0.0401 52  SER D N   
3032 C CA  . SER D 38  ? 0.1733 0.3223 0.2993 0.0158  -0.0096 -0.0306 52  SER D CA  
3033 C C   . SER D 38  ? 0.1387 0.3131 0.2034 0.0161  -0.0027 -0.0207 52  SER D C   
3034 O O   . SER D 38  ? 0.1386 0.3132 0.1766 0.0287  -0.0165 -0.0303 52  SER D O   
3035 C CB  . SER D 38  ? 0.1859 0.3279 0.3455 -0.0234 -0.0156 -0.0366 52  SER D CB  
3036 O OG  . SER D 38  ? 0.2367 0.3336 0.3850 -0.0285 0.0508  -0.0409 52  SER D OG  
3037 N N   . ARG D 39  ? 0.1093 0.3107 0.2013 -0.0098 0.0138  -0.0280 53  ARG D N   
3038 C CA  . ARG D 39  ? 0.0842 0.3109 0.1587 -0.0115 0.0149  -0.0315 53  ARG D CA  
3039 C C   . ARG D 39  ? 0.0993 0.3058 0.1411 0.0054  0.0076  -0.0374 53  ARG D C   
3040 O O   . ARG D 39  ? 0.1193 0.3072 0.1610 0.0165  -0.0131 -0.0602 53  ARG D O   
3041 C CB  . ARG D 39  ? 0.1806 0.3426 0.1827 -0.0083 0.0085  -0.0384 53  ARG D CB  
3042 C CG  . ARG D 39  ? 0.2531 0.3640 0.2401 -0.0273 0.0000  -0.0498 53  ARG D CG  
3043 C CD  . ARG D 39  ? 0.3179 0.3840 0.2893 -0.0391 0.0559  -0.0405 53  ARG D CD  
3044 N NE  . ARG D 39  ? 0.3774 0.3992 0.3447 -0.0468 0.0797  -0.0411 53  ARG D NE  
3045 C CZ  . ARG D 39  ? 0.4195 0.4076 0.4046 -0.0558 0.1219  -0.0402 53  ARG D CZ  
3046 N NH1 . ARG D 39  ? 0.4428 0.4092 0.4279 -0.0580 0.1358  -0.0491 53  ARG D NH1 
3047 N NH2 . ARG D 39  ? 0.4606 0.4145 0.4316 -0.0546 0.1335  -0.0304 53  ARG D NH2 
3048 N N   . TYR D 40  ? 0.0981 0.2984 0.1075 0.0082  0.0000  -0.0271 54  TYR D N   
3049 C CA  . TYR D 40  ? 0.1214 0.2895 0.1218 0.0203  -0.0017 -0.0340 54  TYR D CA  
3050 C C   . TYR D 40  ? 0.1034 0.2871 0.1263 0.0328  0.0158  -0.0351 54  TYR D C   
3051 O O   . TYR D 40  ? 0.1382 0.2858 0.1327 0.0247  0.0204  -0.0244 54  TYR D O   
3052 C CB  . TYR D 40  ? 0.1249 0.2914 0.1247 0.0353  0.0203  -0.0406 54  TYR D CB  
3053 C CG  . TYR D 40  ? 0.1428 0.2890 0.0993 0.0276  0.0014  -0.0518 54  TYR D CG  
3054 C CD1 . TYR D 40  ? 0.1567 0.2975 0.1151 -0.0027 -0.0426 -0.0321 54  TYR D CD1 
3055 C CD2 . TYR D 40  ? 0.1314 0.2888 0.1043 0.0228  -0.0282 -0.0409 54  TYR D CD2 
3056 C CE1 . TYR D 40  ? 0.1564 0.3004 0.1370 -0.0250 -0.0428 -0.0168 54  TYR D CE1 
3057 C CE2 . TYR D 40  ? 0.1352 0.2955 0.1252 -0.0035 -0.0241 -0.0350 54  TYR D CE2 
3058 C CZ  . TYR D 40  ? 0.1538 0.3012 0.1411 -0.0354 -0.0408 -0.0148 54  TYR D CZ  
3059 O OH  . TYR D 40  ? 0.1863 0.3153 0.1845 -0.0561 -0.0488 0.0032  54  TYR D OH  
3060 N N   . VAL D 41  ? 0.1351 0.2775 0.1112 0.0352  0.0042  -0.0439 55  VAL D N   
3061 C CA  . VAL D 41  ? 0.1314 0.2897 0.1070 0.0279  -0.0009 -0.0495 55  VAL D CA  
3062 C C   . VAL D 41  ? 0.0962 0.2965 0.1134 0.0213  -0.0056 -0.0631 55  VAL D C   
3063 O O   . VAL D 41  ? 0.1201 0.2914 0.1321 0.0035  0.0117  -0.0441 55  VAL D O   
3064 C CB  . VAL D 41  ? 0.1049 0.3033 0.1393 0.0204  0.0137  -0.0419 55  VAL D CB  
3065 C CG1 . VAL D 41  ? 0.1070 0.3082 0.1597 0.0046  0.0200  -0.0543 55  VAL D CG1 
3066 C CG2 . VAL D 41  ? 0.1379 0.3067 0.1380 0.0224  0.0217  -0.0487 55  VAL D CG2 
3067 N N   . LEU D 42  ? 0.1078 0.2952 0.1079 0.0327  -0.0145 -0.0717 56  LEU D N   
3068 C CA  . LEU D 42  ? 0.1248 0.3044 0.1318 0.0153  -0.0052 -0.0571 56  LEU D CA  
3069 C C   . LEU D 42  ? 0.1401 0.2910 0.1014 0.0275  0.0191  -0.0501 56  LEU D C   
3070 O O   . LEU D 42  ? 0.1280 0.3138 0.1079 0.0220  0.0059  -0.0656 56  LEU D O   
3071 C CB  . LEU D 42  ? 0.1793 0.3247 0.1982 -0.0122 -0.0262 -0.0349 56  LEU D CB  
3072 C CG  . LEU D 42  ? 0.1864 0.3337 0.1991 -0.0142 0.0061  -0.0104 56  LEU D CG  
3073 C CD1 . LEU D 42  ? 0.1544 0.3300 0.1646 -0.0004 0.0036  0.0029  56  LEU D CD1 
3074 C CD2 . LEU D 42  ? 0.1749 0.3463 0.2381 -0.0263 -0.0399 -0.0196 56  LEU D CD2 
3075 N N   A THR D 43  ? 0.1417 0.2811 0.1118 0.0288  0.0227  -0.0380 57  THR D N   
3076 N N   B THR D 43  ? 0.1494 0.2800 0.1052 0.0211  0.0319  -0.0481 57  THR D N   
3077 C CA  A THR D 43  ? 0.1321 0.2720 0.1174 0.0147  -0.0037 -0.0376 57  THR D CA  
3078 C CA  B THR D 43  ? 0.1512 0.2736 0.1067 0.0103  0.0277  -0.0470 57  THR D CA  
3079 C C   A THR D 43  ? 0.0834 0.2520 0.0721 -0.0140 -0.0062 -0.0223 57  THR D C   
3080 C C   B THR D 43  ? 0.1202 0.2623 0.0898 -0.0066 0.0183  -0.0410 57  THR D C   
3081 O O   A THR D 43  ? 0.0850 0.2465 0.0699 -0.0108 -0.0115 -0.0008 57  THR D O   
3082 O O   B THR D 43  ? 0.1190 0.2598 0.0863 -0.0151 0.0178  -0.0474 57  THR D O   
3083 C CB  A THR D 43  ? 0.2023 0.2838 0.1581 0.0354  0.0215  -0.0276 57  THR D CB  
3084 C CB  B THR D 43  ? 0.1983 0.2800 0.1153 0.0117  0.0458  -0.0356 57  THR D CB  
3085 O OG1 A THR D 43  ? 0.2287 0.2858 0.1834 0.0403  0.0373  -0.0485 57  THR D OG1 
3086 O OG1 B THR D 43  ? 0.2037 0.2711 0.1034 0.0145  0.0554  -0.0359 57  THR D OG1 
3087 C CG2 A THR D 43  ? 0.1864 0.2873 0.1583 0.0423  0.0058  -0.0284 57  THR D CG2 
3088 C CG2 B THR D 43  ? 0.2001 0.2832 0.1392 0.0058  0.0397  -0.0441 57  THR D CG2 
3089 N N   . GLY D 44  ? 0.1099 0.2548 0.0912 -0.0041 0.0051  -0.0274 58  GLY D N   
3090 C CA  . GLY D 44  ? 0.1150 0.2440 0.0983 0.0234  0.0067  -0.0182 58  GLY D CA  
3091 C C   . GLY D 44  ? 0.1193 0.2293 0.0735 0.0220  0.0021  -0.0076 58  GLY D C   
3092 O O   . GLY D 44  ? 0.1612 0.2280 0.0734 -0.0145 0.0026  0.0051  58  GLY D O   
3093 N N   . ARG D 45  ? 0.1012 0.2241 0.0973 0.0152  0.0060  0.0033  59  ARG D N   
3094 C CA  . ARG D 45  ? 0.0966 0.2398 0.1017 0.0226  -0.0021 -0.0004 59  ARG D CA  
3095 C C   . ARG D 45  ? 0.1076 0.2454 0.0981 0.0128  -0.0138 0.0056  59  ARG D C   
3096 O O   . ARG D 45  ? 0.1333 0.2469 0.0922 0.0029  0.0188  0.0027  59  ARG D O   
3097 C CB  . ARG D 45  ? 0.0930 0.2499 0.0889 0.0186  0.0042  0.0050  59  ARG D CB  
3098 C CG  . ARG D 45  ? 0.1158 0.2478 0.0909 0.0114  -0.0152 -0.0031 59  ARG D CG  
3099 C CD  . ARG D 45  ? 0.1289 0.2435 0.1148 -0.0078 -0.0010 -0.0035 59  ARG D CD  
3100 N NE  . ARG D 45  ? 0.1457 0.2325 0.1131 -0.0211 -0.0291 0.0105  59  ARG D NE  
3101 C CZ  . ARG D 45  ? 0.1245 0.2285 0.1054 -0.0289 -0.0229 0.0025  59  ARG D CZ  
3102 N NH1 . ARG D 45  ? 0.2127 0.2268 0.1027 -0.0208 0.0262  -0.0113 59  ARG D NH1 
3103 N NH2 . ARG D 45  ? 0.1226 0.2298 0.1132 -0.0330 -0.0280 -0.0097 59  ARG D NH2 
3104 N N   . TYR D 46  ? 0.1413 0.2552 0.1254 0.0115  -0.0273 0.0118  60  TYR D N   
3105 C CA  . TYR D 46  ? 0.1354 0.2748 0.1004 0.0028  -0.0080 0.0175  60  TYR D CA  
3106 C C   . TYR D 46  ? 0.1247 0.2746 0.0893 -0.0015 0.0009  0.0074  60  TYR D C   
3107 O O   . TYR D 46  ? 0.1389 0.2767 0.0934 -0.0165 0.0045  -0.0198 60  TYR D O   
3108 C CB  . TYR D 46  ? 0.1477 0.2953 0.0810 -0.0159 -0.0119 0.0246  60  TYR D CB  
3109 C CG  . TYR D 46  ? 0.1694 0.3162 0.0881 -0.0170 0.0239  0.0047  60  TYR D CG  
3110 C CD1 . TYR D 46  ? 0.1509 0.3268 0.0922 -0.0111 0.0239  -0.0072 60  TYR D CD1 
3111 C CD2 . TYR D 46  ? 0.2043 0.3305 0.0999 -0.0082 0.0113  0.0035  60  TYR D CD2 
3112 C CE1 . TYR D 46  ? 0.1365 0.3400 0.1070 -0.0158 -0.0089 -0.0239 60  TYR D CE1 
3113 C CE2 . TYR D 46  ? 0.1717 0.3388 0.1124 -0.0104 0.0206  -0.0083 60  TYR D CE2 
3114 C CZ  . TYR D 46  ? 0.1755 0.3470 0.1046 -0.0010 -0.0032 -0.0145 60  TYR D CZ  
3115 O OH  . TYR D 46  ? 0.1988 0.3601 0.1028 0.0235  -0.0124 -0.0217 60  TYR D OH  
3116 N N   . ASP D 47  ? 0.1220 0.2774 0.0995 0.0054  -0.0360 0.0051  61  ASP D N   
3117 C CA  . ASP D 47  ? 0.1375 0.2909 0.1049 0.0153  -0.0283 -0.0070 61  ASP D CA  
3118 C C   . ASP D 47  ? 0.1442 0.3123 0.1112 0.0026  -0.0446 -0.0090 61  ASP D C   
3119 O O   . ASP D 47  ? 0.1625 0.3133 0.0951 0.0028  -0.0319 -0.0076 61  ASP D O   
3120 C CB  . ASP D 47  ? 0.1049 0.2841 0.1151 0.0129  -0.0042 -0.0110 61  ASP D CB  
3121 C CG  . ASP D 47  ? 0.1252 0.2877 0.1037 0.0177  -0.0255 -0.0121 61  ASP D CG  
3122 O OD1 . ASP D 47  ? 0.1313 0.2811 0.1255 0.0097  -0.0283 0.0011  61  ASP D OD1 
3123 O OD2 . ASP D 47  ? 0.1311 0.2928 0.1084 0.0207  -0.0349 -0.0179 61  ASP D OD2 
3124 N N   . SER D 48  ? 0.1222 0.3193 0.1151 0.0091  -0.0367 -0.0092 62  SER D N   
3125 C CA  . SER D 48  ? 0.1200 0.3334 0.1391 -0.0064 -0.0400 -0.0297 62  SER D CA  
3126 C C   . SER D 48  ? 0.1662 0.3673 0.1155 0.0183  -0.0310 -0.0136 62  SER D C   
3127 O O   . SER D 48  ? 0.2132 0.3868 0.1206 0.0327  -0.0466 0.0069  62  SER D O   
3128 C CB  . SER D 48  ? 0.1806 0.3562 0.1716 -0.0169 -0.0206 -0.0640 62  SER D CB  
3129 O OG  . SER D 48  ? 0.2516 0.3604 0.2163 -0.0409 0.0195  -0.0728 62  SER D OG  
3130 N N   . ALA D 49  ? 0.1356 0.3539 0.1438 0.0214  -0.0476 0.0025  63  ALA D N   
3131 C CA  . ALA D 49  ? 0.1559 0.3590 0.1419 0.0172  -0.0378 0.0201  63  ALA D CA  
3132 C C   . ALA D 49  ? 0.1887 0.3516 0.1494 0.0163  -0.0191 0.0317  63  ALA D C   
3133 O O   . ALA D 49  ? 0.1740 0.3475 0.1762 0.0192  -0.0088 0.0361  63  ALA D O   
3134 C CB  . ALA D 49  ? 0.1844 0.3621 0.1755 0.0303  -0.0112 0.0213  63  ALA D CB  
3135 N N   . PRO D 50  ? 0.1740 0.3523 0.1467 -0.0006 -0.0469 0.0307  64  PRO D N   
3136 C CA  . PRO D 50  ? 0.1823 0.3521 0.1716 -0.0045 -0.0135 0.0368  64  PRO D CA  
3137 C C   . PRO D 50  ? 0.1872 0.3540 0.1886 0.0030  -0.0468 0.0384  64  PRO D C   
3138 O O   . PRO D 50  ? 0.2087 0.3587 0.1977 -0.0055 -0.0656 0.0437  64  PRO D O   
3139 C CB  . PRO D 50  ? 0.2034 0.3578 0.1800 -0.0084 -0.0077 0.0302  64  PRO D CB  
3140 C CG  . PRO D 50  ? 0.2092 0.3587 0.1874 -0.0089 -0.0176 0.0357  64  PRO D CG  
3141 C CD  . PRO D 50  ? 0.1822 0.3587 0.1664 -0.0087 -0.0495 0.0262  64  PRO D CD  
3142 N N   . ALA D 51  ? 0.1969 0.3550 0.2119 0.0180  -0.0478 0.0458  65  ALA D N   
3143 C CA  . ALA D 51  ? 0.2443 0.3572 0.2313 0.0326  -0.0592 0.0449  65  ALA D CA  
3144 C C   . ALA D 51  ? 0.3041 0.3606 0.2725 0.0393  -0.0748 0.0542  65  ALA D C   
3145 O O   . ALA D 51  ? 0.3117 0.3617 0.2826 0.0425  -0.0405 0.0661  65  ALA D O   
3146 C CB  . ALA D 51  ? 0.2676 0.3618 0.2401 0.0325  -0.0341 0.0373  65  ALA D CB  
3147 N N   . THR D 52  ? 0.3694 0.3603 0.3114 0.0479  -0.1076 0.0519  66  THR D N   
3148 C CA  . THR D 52  ? 0.4197 0.3680 0.3395 0.0538  -0.1416 0.0602  66  THR D CA  
3149 C C   . THR D 52  ? 0.4407 0.3630 0.3627 0.0709  -0.1481 0.0741  66  THR D C   
3150 O O   . THR D 52  ? 0.4866 0.3650 0.3826 0.0851  -0.1380 0.0859  66  THR D O   
3151 C CB  . THR D 52  ? 0.4142 0.3802 0.3618 0.0423  -0.1689 0.0564  66  THR D CB  
3152 O OG1 . THR D 52  ? 0.4326 0.3894 0.3909 0.0361  -0.1681 0.0608  66  THR D OG1 
3153 C CG2 . THR D 52  ? 0.4177 0.3826 0.3518 0.0315  -0.1850 0.0509  66  THR D CG2 
3154 N N   . ASP D 53  ? 0.4209 0.3542 0.3673 0.0649  -0.1535 0.0729  67  ASP D N   
3155 C CA  . ASP D 53  ? 0.3788 0.3492 0.3834 0.0691  -0.1468 0.0758  67  ASP D CA  
3156 C C   . ASP D 53  ? 0.3720 0.3382 0.3986 0.0560  -0.1340 0.0831  67  ASP D C   
3157 O O   . ASP D 53  ? 0.3823 0.3407 0.4327 0.0610  -0.1203 0.0804  67  ASP D O   
3158 C CB  . ASP D 53  ? 0.3591 0.3571 0.3947 0.0657  -0.1228 0.0566  67  ASP D CB  
3159 C CG  . ASP D 53  ? 0.3157 0.3656 0.3959 0.0651  -0.1051 0.0398  67  ASP D CG  
3160 O OD1 . ASP D 53  ? 0.2640 0.3610 0.3741 0.0707  -0.1113 0.0340  67  ASP D OD1 
3161 O OD2 . ASP D 53  ? 0.3300 0.3797 0.4169 0.0578  -0.0729 0.0243  67  ASP D OD2 
3162 N N   . GLY D 54  ? 0.3490 0.3269 0.3705 0.0450  -0.1317 0.0982  68  GLY D N   
3163 C CA  . GLY D 54  ? 0.3425 0.3147 0.3504 0.0286  -0.1205 0.1038  68  GLY D CA  
3164 C C   . GLY D 54  ? 0.3281 0.3059 0.3297 0.0175  -0.1104 0.0998  68  GLY D C   
3165 O O   . GLY D 54  ? 0.3491 0.3097 0.3551 0.0159  -0.0897 0.1136  68  GLY D O   
3166 N N   . SER D 55  ? 0.2582 0.2878 0.2739 0.0171  -0.0922 0.0876  69  SER D N   
3167 C CA  . SER D 55  ? 0.2644 0.2795 0.2213 0.0175  -0.0672 0.0645  69  SER D CA  
3168 C C   . SER D 55  ? 0.2234 0.2730 0.1804 -0.0031 -0.0522 0.0612  69  SER D C   
3169 O O   . SER D 55  ? 0.2327 0.2730 0.1711 -0.0095 -0.0464 0.0610  69  SER D O   
3170 C CB  . SER D 55  ? 0.2886 0.2901 0.2379 0.0376  -0.0361 0.0450  69  SER D CB  
3171 O OG  . SER D 55  ? 0.3344 0.3013 0.2627 0.0383  0.0031  0.0175  69  SER D OG  
3172 N N   . GLY D 56  ? 0.1867 0.2601 0.1532 0.0105  -0.0207 0.0647  70  GLY D N   
3173 C CA  . GLY D 56  ? 0.1556 0.2533 0.1373 0.0020  -0.0162 0.0469  70  GLY D CA  
3174 C C   . GLY D 56  ? 0.1558 0.2477 0.1225 -0.0041 -0.0418 0.0335  70  GLY D C   
3175 O O   . GLY D 56  ? 0.1860 0.2482 0.1068 -0.0040 -0.0392 0.0139  70  GLY D O   
3176 N N   . THR D 57  ? 0.1440 0.2431 0.0959 0.0108  -0.0167 0.0331  71  THR D N   
3177 C CA  . THR D 57  ? 0.1568 0.2430 0.1027 0.0123  -0.0244 0.0309  71  THR D CA  
3178 C C   . THR D 57  ? 0.1382 0.2260 0.0920 0.0043  -0.0286 0.0306  71  THR D C   
3179 O O   . THR D 57  ? 0.1103 0.2229 0.1231 -0.0084 -0.0189 0.0315  71  THR D O   
3180 C CB  . THR D 57  ? 0.1701 0.2533 0.0961 0.0182  -0.0118 0.0396  71  THR D CB  
3181 O OG1 . THR D 57  ? 0.1824 0.2610 0.1071 0.0073  -0.0309 0.0444  71  THR D OG1 
3182 C CG2 . THR D 57  ? 0.2020 0.2564 0.0915 0.0371  -0.0079 0.0463  71  THR D CG2 
3183 N N   . ALA D 58  ? 0.1226 0.2293 0.1032 0.0041  -0.0061 0.0378  72  ALA D N   
3184 C CA  . ALA D 58  ? 0.0711 0.2444 0.1160 0.0027  -0.0033 0.0528  72  ALA D CA  
3185 C C   . ALA D 58  ? 0.1092 0.2394 0.1084 0.0055  -0.0301 0.0333  72  ALA D C   
3186 O O   . ALA D 58  ? 0.1464 0.2393 0.1188 0.0021  -0.0281 0.0412  72  ALA D O   
3187 C CB  . ALA D 58  ? 0.1268 0.2504 0.1232 -0.0208 0.0035  0.0524  72  ALA D CB  
3188 N N   A LEU D 59  ? 0.1135 0.2384 0.0924 0.0118  -0.0242 0.0349  73  LEU D N   
3189 N N   B LEU D 59  ? 0.1068 0.2372 0.0922 0.0156  -0.0261 0.0282  73  LEU D N   
3190 C CA  A LEU D 59  ? 0.0977 0.2419 0.0933 -0.0103 -0.0088 0.0333  73  LEU D CA  
3191 C CA  B LEU D 59  ? 0.0897 0.2383 0.0805 0.0045  -0.0039 0.0198  73  LEU D CA  
3192 C C   A LEU D 59  ? 0.0766 0.2410 0.1008 -0.0018 0.0044  0.0253  73  LEU D C   
3193 C C   B LEU D 59  ? 0.0827 0.2393 0.0982 0.0066  -0.0103 0.0109  73  LEU D C   
3194 O O   A LEU D 59  ? 0.0847 0.2505 0.0927 0.0014  0.0183  0.0386  73  LEU D O   
3195 O O   B LEU D 59  ? 0.0920 0.2418 0.0980 -0.0115 -0.0323 0.0060  73  LEU D O   
3196 C CB  A LEU D 59  ? 0.1323 0.2510 0.1123 -0.0367 -0.0319 0.0342  73  LEU D CB  
3197 C CB  B LEU D 59  ? 0.1100 0.2424 0.0924 -0.0068 0.0081  0.0203  73  LEU D CB  
3198 C CG  A LEU D 59  ? 0.1721 0.2555 0.1228 -0.0402 -0.0424 0.0351  73  LEU D CG  
3199 C CG  B LEU D 59  ? 0.1143 0.2401 0.0810 -0.0036 -0.0024 0.0154  73  LEU D CG  
3200 C CD1 A LEU D 59  ? 0.1818 0.2468 0.1074 -0.0389 -0.0623 0.0258  73  LEU D CD1 
3201 C CD1 B LEU D 59  ? 0.1193 0.2384 0.0678 0.0122  0.0086  0.0274  73  LEU D CD1 
3202 C CD2 A LEU D 59  ? 0.1962 0.2554 0.1421 -0.0382 -0.0174 0.0451  73  LEU D CD2 
3203 C CD2 B LEU D 59  ? 0.1252 0.2395 0.0820 -0.0035 -0.0068 -0.0016 73  LEU D CD2 
3204 N N   . GLY D 60  ? 0.1054 0.2307 0.1055 0.0116  -0.0009 0.0302  74  GLY D N   
3205 C CA  . GLY D 60  ? 0.1066 0.2181 0.0874 0.0136  0.0196  0.0259  74  GLY D CA  
3206 C C   . GLY D 60  ? 0.0767 0.2082 0.0688 -0.0055 0.0058  0.0348  74  GLY D C   
3207 O O   . GLY D 60  ? 0.1119 0.2031 0.0879 -0.0063 -0.0099 -0.0164 74  GLY D O   
3208 N N   . TRP D 61  ? 0.0768 0.2117 0.0725 0.0056  0.0147  0.0299  75  TRP D N   
3209 C CA  . TRP D 61  ? 0.1028 0.2176 0.0797 0.0338  0.0145  0.0073  75  TRP D CA  
3210 C C   . TRP D 61  ? 0.0863 0.2193 0.0773 0.0194  0.0230  0.0014  75  TRP D C   
3211 O O   . TRP D 61  ? 0.1088 0.2189 0.0809 0.0190  0.0161  0.0082  75  TRP D O   
3212 C CB  . TRP D 61  ? 0.1366 0.2268 0.0944 -0.0103 0.0122  -0.0068 75  TRP D CB  
3213 C CG  . TRP D 61  ? 0.0981 0.2339 0.0839 -0.0162 0.0145  0.0058  75  TRP D CG  
3214 C CD1 . TRP D 61  ? 0.1106 0.2402 0.1003 -0.0278 -0.0039 0.0124  75  TRP D CD1 
3215 C CD2 . TRP D 61  ? 0.1314 0.2357 0.0850 -0.0075 0.0122  0.0122  75  TRP D CD2 
3216 N NE1 . TRP D 61  ? 0.1368 0.2423 0.0950 -0.0288 0.0082  0.0108  75  TRP D NE1 
3217 C CE2 . TRP D 61  ? 0.1378 0.2396 0.0913 -0.0166 0.0174  0.0184  75  TRP D CE2 
3218 C CE3 . TRP D 61  ? 0.1893 0.2306 0.0865 -0.0063 0.0064  0.0284  75  TRP D CE3 
3219 C CZ2 . TRP D 61  ? 0.1324 0.2429 0.0689 -0.0105 -0.0032 0.0014  75  TRP D CZ2 
3220 C CZ3 . TRP D 61  ? 0.2048 0.2331 0.1160 0.0069  0.0293  0.0136  75  TRP D CZ3 
3221 C CH2 . TRP D 61  ? 0.1884 0.2395 0.0991 0.0037  0.0256  0.0010  75  TRP D CH2 
3222 N N   . THR D 62  ? 0.1040 0.2061 0.0700 0.0272  0.0128  -0.0018 76  THR D N   
3223 C CA  . THR D 62  ? 0.1045 0.2090 0.0926 0.0197  0.0157  -0.0031 76  THR D CA  
3224 C C   . THR D 62  ? 0.0944 0.2215 0.0751 0.0166  -0.0118 -0.0105 76  THR D C   
3225 O O   . THR D 62  ? 0.1180 0.2268 0.0884 0.0139  -0.0162 -0.0370 76  THR D O   
3226 C CB  . THR D 62  ? 0.1221 0.2027 0.0891 0.0193  -0.0012 -0.0025 76  THR D CB  
3227 O OG1 . THR D 62  ? 0.1325 0.2047 0.0928 0.0284  0.0452  -0.0002 76  THR D OG1 
3228 C CG2 . THR D 62  ? 0.1278 0.2046 0.0878 0.0330  -0.0170 -0.0113 76  THR D CG2 
3229 N N   . VAL D 63  ? 0.0899 0.2301 0.0896 0.0239  -0.0050 -0.0042 77  VAL D N   
3230 C CA  . VAL D 63  ? 0.1073 0.2492 0.1082 0.0459  -0.0146 -0.0157 77  VAL D CA  
3231 C C   . VAL D 63  ? 0.1248 0.2550 0.1084 0.0394  -0.0062 -0.0367 77  VAL D C   
3232 O O   . VAL D 63  ? 0.1735 0.2576 0.1161 0.0457  -0.0054 -0.0592 77  VAL D O   
3233 C CB  . VAL D 63  ? 0.1276 0.2680 0.1285 0.0327  0.0261  -0.0163 77  VAL D CB  
3234 C CG1 . VAL D 63  ? 0.1045 0.2704 0.1554 0.0194  0.0440  -0.0192 77  VAL D CG1 
3235 C CG2 . VAL D 63  ? 0.0950 0.2750 0.0993 0.0207  -0.0107 -0.0114 77  VAL D CG2 
3236 N N   . ALA D 64  ? 0.1077 0.2573 0.0971 0.0237  -0.0094 -0.0280 78  ALA D N   
3237 C CA  . ALA D 64  ? 0.1164 0.2701 0.1057 0.0070  -0.0170 -0.0543 78  ALA D CA  
3238 C C   . ALA D 64  ? 0.1327 0.2627 0.1098 0.0181  -0.0204 -0.0455 78  ALA D C   
3239 O O   . ALA D 64  ? 0.1296 0.2631 0.1004 0.0401  -0.0100 -0.0538 78  ALA D O   
3240 C CB  . ALA D 64  ? 0.1018 0.2876 0.1307 0.0093  -0.0002 -0.0489 78  ALA D CB  
3241 N N   . TRP D 65  ? 0.1069 0.2539 0.1158 0.0206  0.0042  -0.0556 79  TRP D N   
3242 C CA  . TRP D 65  ? 0.1052 0.2563 0.1146 0.0223  -0.0053 -0.0365 79  TRP D CA  
3243 C C   . TRP D 65  ? 0.1443 0.2546 0.1199 0.0391  -0.0209 -0.0366 79  TRP D C   
3244 O O   . TRP D 65  ? 0.1644 0.2576 0.1470 0.0625  -0.0262 -0.0538 79  TRP D O   
3245 C CB  . TRP D 65  ? 0.1312 0.2535 0.1166 0.0102  -0.0096 -0.0413 79  TRP D CB  
3246 C CG  . TRP D 65  ? 0.1775 0.2471 0.1118 0.0181  -0.0081 -0.0427 79  TRP D CG  
3247 C CD1 . TRP D 65  ? 0.1711 0.2411 0.1494 0.0147  -0.0073 -0.0424 79  TRP D CD1 
3248 C CD2 . TRP D 65  ? 0.1870 0.2443 0.1169 0.0110  0.0101  -0.0240 79  TRP D CD2 
3249 N NE1 . TRP D 65  ? 0.1749 0.2380 0.1234 0.0042  -0.0245 -0.0262 79  TRP D NE1 
3250 C CE2 . TRP D 65  ? 0.1868 0.2374 0.1372 0.0061  -0.0219 -0.0119 79  TRP D CE2 
3251 C CE3 . TRP D 65  ? 0.1227 0.2501 0.1336 0.0008  -0.0092 -0.0136 79  TRP D CE3 
3252 C CZ2 . TRP D 65  ? 0.1869 0.2399 0.1357 0.0016  -0.0336 -0.0092 79  TRP D CZ2 
3253 C CZ3 . TRP D 65  ? 0.1415 0.2489 0.1295 0.0073  -0.0051 -0.0085 79  TRP D CZ3 
3254 C CH2 . TRP D 65  ? 0.1855 0.2441 0.1494 0.0077  -0.0150 -0.0056 79  TRP D CH2 
3255 N N   . LYS D 66  ? 0.1512 0.2492 0.1201 0.0409  -0.0067 -0.0444 80  LYS D N   
3256 C CA  . LYS D 66  ? 0.1304 0.2514 0.1269 0.0421  -0.0018 -0.0417 80  LYS D CA  
3257 C C   . LYS D 66  ? 0.0968 0.2530 0.1430 0.0211  0.0010  -0.0395 80  LYS D C   
3258 O O   . LYS D 66  ? 0.1118 0.2510 0.1514 0.0208  -0.0030 -0.0285 80  LYS D O   
3259 C CB  . LYS D 66  ? 0.1938 0.2519 0.1498 0.0419  0.0034  -0.0452 80  LYS D CB  
3260 C CG  . LYS D 66  ? 0.2361 0.2550 0.1826 0.0518  0.0071  -0.0261 80  LYS D CG  
3261 C CD  . LYS D 66  ? 0.3191 0.2678 0.2307 0.0492  0.0429  -0.0219 80  LYS D CD  
3262 C CE  . LYS D 66  ? 0.3973 0.2755 0.2836 0.0355  0.0456  -0.0131 80  LYS D CE  
3263 N NZ  . LYS D 66  ? 0.4511 0.2833 0.3292 0.0277  0.0473  -0.0136 80  LYS D NZ  
3264 N N   . ASN D 67  ? 0.1356 0.2619 0.1388 0.0196  0.0074  -0.0394 81  ASN D N   
3265 C CA  . ASN D 67  ? 0.1465 0.2672 0.1452 -0.0016 0.0425  -0.0461 81  ASN D CA  
3266 C C   . ASN D 67  ? 0.1516 0.2774 0.1643 0.0042  0.0315  -0.0626 81  ASN D C   
3267 O O   . ASN D 67  ? 0.1637 0.2756 0.1856 0.0043  0.0495  -0.0570 81  ASN D O   
3268 C CB  . ASN D 67  ? 0.1428 0.2625 0.1397 -0.0152 0.0332  -0.0596 81  ASN D CB  
3269 C CG  . ASN D 67  ? 0.1584 0.2614 0.1501 -0.0015 0.0140  -0.0618 81  ASN D CG  
3270 O OD1 . ASN D 67  ? 0.1634 0.2618 0.1291 0.0093  0.0053  -0.0481 81  ASN D OD1 
3271 N ND2 . ASN D 67  ? 0.1662 0.2588 0.1797 0.0073  0.0163  -0.0537 81  ASN D ND2 
3272 N N   . ASN D 68  ? 0.1355 0.2907 0.1957 0.0051  0.0289  -0.0783 82  ASN D N   
3273 C CA  . ASN D 68  ? 0.1734 0.3082 0.2223 0.0073  0.0302  -0.0912 82  ASN D CA  
3274 C C   . ASN D 68  ? 0.1488 0.3019 0.2442 0.0197  0.0436  -0.0761 82  ASN D C   
3275 O O   . ASN D 68  ? 0.2048 0.2951 0.2948 0.0371  0.0310  -0.0729 82  ASN D O   
3276 C CB  . ASN D 68  ? 0.2050 0.3384 0.2569 -0.0079 0.0400  -0.1068 82  ASN D CB  
3277 C CG  . ASN D 68  ? 0.3300 0.3721 0.3357 -0.0321 0.0375  -0.0989 82  ASN D CG  
3278 O OD1 . ASN D 68  ? 0.3748 0.3857 0.3768 -0.0458 0.0243  -0.0898 82  ASN D OD1 
3279 N ND2 . ASN D 68  ? 0.4022 0.3881 0.3873 -0.0408 0.0170  -0.0919 82  ASN D ND2 
3280 N N   . TYR D 69  ? 0.1348 0.3034 0.1900 0.0285  0.0263  -0.0507 83  TYR D N   
3281 C CA  . TYR D 69  ? 0.1291 0.3040 0.1842 0.0357  0.0367  -0.0361 83  TYR D CA  
3282 C C   . TYR D 69  ? 0.1363 0.2995 0.1882 0.0312  0.0243  -0.0320 83  TYR D C   
3283 O O   . TYR D 69  ? 0.1778 0.3047 0.2081 0.0391  0.0234  -0.0111 83  TYR D O   
3284 C CB  . TYR D 69  ? 0.1719 0.3169 0.1818 0.0139  0.0316  -0.0378 83  TYR D CB  
3285 C CG  . TYR D 69  ? 0.2017 0.3205 0.1762 0.0265  0.0623  -0.0463 83  TYR D CG  
3286 C CD1 . TYR D 69  ? 0.2392 0.3294 0.1976 0.0284  0.0551  -0.0485 83  TYR D CD1 
3287 C CD2 . TYR D 69  ? 0.2355 0.3228 0.1927 0.0344  0.0720  -0.0489 83  TYR D CD2 
3288 C CE1 . TYR D 69  ? 0.2934 0.3384 0.2137 0.0231  0.0822  -0.0427 83  TYR D CE1 
3289 C CE2 . TYR D 69  ? 0.2593 0.3268 0.2066 0.0303  0.0889  -0.0411 83  TYR D CE2 
3290 C CZ  . TYR D 69  ? 0.2902 0.3375 0.2092 0.0223  0.0904  -0.0418 83  TYR D CZ  
3291 O OH  . TYR D 69  ? 0.3316 0.3516 0.2178 0.0104  0.1114  -0.0422 83  TYR D OH  
3292 N N   A ARG D 70  ? 0.0886 0.2969 0.1815 0.0198  0.0080  -0.0523 84  ARG D N   
3293 N N   B ARG D 70  ? 0.1285 0.2980 0.1726 0.0304  0.0178  -0.0436 84  ARG D N   
3294 C CA  A ARG D 70  ? 0.1189 0.3019 0.1989 0.0231  -0.0042 -0.0592 84  ARG D CA  
3295 C CA  B ARG D 70  ? 0.1421 0.2989 0.1658 0.0364  0.0011  -0.0496 84  ARG D CA  
3296 C C   A ARG D 70  ? 0.1129 0.2982 0.1866 0.0566  -0.0126 -0.0570 84  ARG D C   
3297 C C   B ARG D 70  ? 0.1411 0.2985 0.1691 0.0566  -0.0103 -0.0567 84  ARG D C   
3298 O O   A ARG D 70  ? 0.1056 0.2947 0.1895 0.0402  0.0042  -0.0485 84  ARG D O   
3299 O O   B ARG D 70  ? 0.1380 0.2992 0.1701 0.0503  -0.0141 -0.0552 84  ARG D O   
3300 C CB  A ARG D 70  ? 0.1330 0.3093 0.2340 -0.0120 0.0064  -0.0453 84  ARG D CB  
3301 C CB  B ARG D 70  ? 0.1632 0.3008 0.1609 0.0181  0.0026  -0.0377 84  ARG D CB  
3302 C CG  A ARG D 70  ? 0.1789 0.3131 0.2507 -0.0147 -0.0053 -0.0224 84  ARG D CG  
3303 C CG  B ARG D 70  ? 0.1910 0.2978 0.1486 0.0017  -0.0069 -0.0328 84  ARG D CG  
3304 C CD  A ARG D 70  ? 0.2033 0.3162 0.2501 -0.0174 -0.0069 -0.0212 84  ARG D CD  
3305 C CD  B ARG D 70  ? 0.2403 0.2965 0.1666 -0.0059 0.0012  -0.0362 84  ARG D CD  
3306 N NE  A ARG D 70  ? 0.2024 0.3143 0.2292 -0.0052 -0.0094 -0.0276 84  ARG D NE  
3307 N NE  B ARG D 70  ? 0.2758 0.2970 0.2003 -0.0097 0.0115  -0.0413 84  ARG D NE  
3308 C CZ  A ARG D 70  ? 0.2152 0.3145 0.2073 0.0086  -0.0387 -0.0239 84  ARG D CZ  
3309 C CZ  B ARG D 70  ? 0.2904 0.2938 0.2169 -0.0144 0.0177  -0.0422 84  ARG D CZ  
3310 N NH1 A ARG D 70  ? 0.2175 0.3146 0.2259 0.0152  -0.0423 -0.0129 84  ARG D NH1 
3311 N NH1 B ARG D 70  ? 0.3053 0.2945 0.2280 -0.0096 0.0245  -0.0396 84  ARG D NH1 
3312 N NH2 A ARG D 70  ? 0.2499 0.3164 0.1942 0.0136  -0.0587 -0.0385 84  ARG D NH2 
3313 N NH2 B ARG D 70  ? 0.2891 0.2932 0.2181 -0.0137 0.0143  -0.0425 84  ARG D NH2 
3314 N N   . ASN D 71  ? 0.1479 0.2961 0.1736 0.0697  -0.0088 -0.0701 85  ASN D N   
3315 C CA  . ASN D 71  ? 0.1510 0.3012 0.1811 0.0646  -0.0132 -0.0646 85  ASN D CA  
3316 C C   . ASN D 71  ? 0.1445 0.3066 0.1872 0.0580  -0.0344 -0.0643 85  ASN D C   
3317 O O   . ASN D 71  ? 0.2004 0.3161 0.2242 0.0775  -0.0717 -0.0760 85  ASN D O   
3318 C CB  . ASN D 71  ? 0.1481 0.3010 0.1819 0.0660  -0.0138 -0.0490 85  ASN D CB  
3319 C CG  . ASN D 71  ? 0.1674 0.3009 0.1483 0.0661  -0.0139 -0.0543 85  ASN D CG  
3320 O OD1 . ASN D 71  ? 0.1871 0.3092 0.1337 0.0731  -0.0043 -0.0400 85  ASN D OD1 
3321 N ND2 . ASN D 71  ? 0.1775 0.2982 0.1489 0.0722  -0.0308 -0.0717 85  ASN D ND2 
3322 N N   . ALA D 72  ? 0.1293 0.3004 0.1597 0.0337  0.0030  -0.0645 86  ALA D N   
3323 C CA  . ALA D 72  ? 0.1331 0.3033 0.1688 0.0485  -0.0181 -0.0576 86  ALA D CA  
3324 C C   . ALA D 72  ? 0.1484 0.3027 0.1460 0.0551  -0.0298 -0.0575 86  ALA D C   
3325 O O   . ALA D 72  ? 0.1891 0.3082 0.1763 0.0453  -0.0176 -0.0747 86  ALA D O   
3326 C CB  . ALA D 72  ? 0.1604 0.3010 0.1944 0.0415  -0.0055 -0.0662 86  ALA D CB  
3327 N N   . HIS D 73  ? 0.1673 0.3034 0.1289 0.0748  -0.0212 -0.0394 87  HIS D N   
3328 C CA  . HIS D 73  ? 0.1657 0.2954 0.1128 0.0702  -0.0139 -0.0330 87  HIS D CA  
3329 C C   . HIS D 73  ? 0.1684 0.2829 0.1122 0.0634  -0.0151 -0.0360 87  HIS D C   
3330 O O   . HIS D 73  ? 0.1763 0.2869 0.1280 0.0667  -0.0076 -0.0412 87  HIS D O   
3331 C CB  . HIS D 73  ? 0.1664 0.2990 0.1490 0.0737  -0.0125 -0.0172 87  HIS D CB  
3332 C CG  . HIS D 73  ? 0.1815 0.3059 0.1383 0.0696  -0.0170 -0.0134 87  HIS D CG  
3333 N ND1 . HIS D 73  ? 0.1785 0.3093 0.1648 0.0746  -0.0240 -0.0047 87  HIS D ND1 
3334 C CD2 . HIS D 73  ? 0.1811 0.3086 0.1628 0.0660  -0.0018 -0.0158 87  HIS D CD2 
3335 C CE1 . HIS D 73  ? 0.1811 0.3081 0.1635 0.0606  -0.0216 -0.0080 87  HIS D CE1 
3336 N NE2 . HIS D 73  ? 0.2014 0.3085 0.1660 0.0668  -0.0284 -0.0163 87  HIS D NE2 
3337 N N   . SER D 74  ? 0.1833 0.2694 0.1359 0.0607  -0.0175 -0.0081 88  SER D N   
3338 C CA  . SER D 74  ? 0.1480 0.2639 0.1109 0.0456  -0.0267 -0.0101 88  SER D CA  
3339 C C   . SER D 74  ? 0.1520 0.2460 0.0940 0.0626  -0.0287 -0.0164 88  SER D C   
3340 O O   . SER D 74  ? 0.1937 0.2318 0.1072 0.0477  -0.0244 -0.0360 88  SER D O   
3341 C CB  . SER D 74  ? 0.2095 0.2812 0.1254 0.0267  -0.0011 -0.0210 88  SER D CB  
3342 O OG  . SER D 74  ? 0.2509 0.2858 0.1416 0.0220  0.0045  -0.0283 88  SER D OG  
3343 N N   . ALA D 75  ? 0.1469 0.2414 0.1166 0.0593  -0.0214 -0.0114 89  ALA D N   
3344 C CA  . ALA D 75  ? 0.1501 0.2428 0.1210 0.0509  -0.0421 -0.0130 89  ALA D CA  
3345 C C   . ALA D 75  ? 0.1331 0.2292 0.0795 0.0377  -0.0223 -0.0144 89  ALA D C   
3346 O O   . ALA D 75  ? 0.1716 0.2193 0.0776 0.0212  0.0151  -0.0290 89  ALA D O   
3347 C CB  . ALA D 75  ? 0.1739 0.2565 0.1561 0.0232  -0.0363 -0.0295 89  ALA D CB  
3348 N N   . THR D 76  ? 0.1476 0.2232 0.0820 0.0445  -0.0217 -0.0142 90  THR D N   
3349 C CA  . THR D 76  ? 0.1168 0.2283 0.0868 0.0415  0.0004  -0.0293 90  THR D CA  
3350 C C   . THR D 76  ? 0.0967 0.2147 0.0850 0.0448  -0.0086 -0.0229 90  THR D C   
3351 O O   . THR D 76  ? 0.1222 0.2140 0.0917 0.0229  0.0046  -0.0184 90  THR D O   
3352 C CB  . THR D 76  ? 0.1119 0.2465 0.1171 0.0182  0.0026  -0.0343 90  THR D CB  
3353 O OG1 . THR D 76  ? 0.1111 0.2565 0.1014 0.0189  -0.0216 -0.0423 90  THR D OG1 
3354 C CG2 . THR D 76  ? 0.1089 0.2540 0.0970 -0.0008 -0.0041 -0.0288 90  THR D CG2 
3355 N N   . THR D 77  ? 0.0972 0.2007 0.0947 0.0316  -0.0080 -0.0012 91  THR D N   
3356 C CA  . THR D 77  ? 0.1104 0.2013 0.0788 0.0338  -0.0046 0.0049  91  THR D CA  
3357 C C   . THR D 77  ? 0.1297 0.2064 0.0589 0.0181  -0.0090 0.0011  91  THR D C   
3358 O O   . THR D 77  ? 0.1953 0.2129 0.0786 0.0093  -0.0432 -0.0018 91  THR D O   
3359 C CB  . THR D 77  ? 0.1452 0.1909 0.0819 0.0221  0.0197  -0.0148 91  THR D CB  
3360 O OG1 . THR D 77  ? 0.1711 0.1939 0.0868 0.0254  0.0253  -0.0102 91  THR D OG1 
3361 C CG2 . THR D 77  ? 0.1968 0.1827 0.1256 0.0044  0.0138  -0.0170 91  THR D CG2 
3362 N N   . TRP D 78  ? 0.1137 0.2137 0.0734 0.0049  -0.0096 0.0137  92  TRP D N   
3363 C CA  . TRP D 78  ? 0.1170 0.2104 0.0628 -0.0076 0.0010  0.0219  92  TRP D CA  
3364 C C   . TRP D 78  ? 0.1177 0.2110 0.0712 0.0007  -0.0143 0.0230  92  TRP D C   
3365 O O   . TRP D 78  ? 0.1216 0.2146 0.0944 -0.0061 -0.0087 0.0054  92  TRP D O   
3366 C CB  . TRP D 78  ? 0.1400 0.2130 0.0822 -0.0120 0.0070  0.0157  92  TRP D CB  
3367 C CG  . TRP D 78  ? 0.1372 0.2263 0.0802 -0.0144 0.0133  0.0059  92  TRP D CG  
3368 C CD1 . TRP D 78  ? 0.1173 0.2334 0.0938 -0.0058 0.0105  0.0067  92  TRP D CD1 
3369 C CD2 . TRP D 78  ? 0.1679 0.2297 0.0920 0.0161  0.0107  0.0092  92  TRP D CD2 
3370 N NE1 . TRP D 78  ? 0.1063 0.2346 0.0888 0.0206  0.0033  0.0248  92  TRP D NE1 
3371 C CE2 . TRP D 78  ? 0.1187 0.2326 0.0749 0.0431  -0.0034 0.0171  92  TRP D CE2 
3372 C CE3 . TRP D 78  ? 0.1480 0.2353 0.0801 0.0249  0.0005  0.0166  92  TRP D CE3 
3373 C CZ2 . TRP D 78  ? 0.1321 0.2291 0.0886 0.0204  -0.0055 0.0050  92  TRP D CZ2 
3374 C CZ3 . TRP D 78  ? 0.0975 0.2396 0.0813 0.0316  -0.0007 0.0007  92  TRP D CZ3 
3375 C CH2 . TRP D 78  ? 0.1405 0.2354 0.0999 0.0440  0.0032  -0.0166 92  TRP D CH2 
3376 N N   . SER D 79  ? 0.0830 0.2160 0.0828 0.0146  0.0132  0.0131  93  SER D N   
3377 C CA  . SER D 79  ? 0.0938 0.2201 0.0804 0.0063  0.0202  0.0310  93  SER D CA  
3378 C C   . SER D 79  ? 0.0908 0.2147 0.0787 0.0227  -0.0002 0.0251  93  SER D C   
3379 O O   . SER D 79  ? 0.1324 0.2033 0.1093 0.0072  -0.0088 0.0095  93  SER D O   
3380 C CB  . SER D 79  ? 0.1110 0.2355 0.0827 0.0126  0.0050  0.0155  93  SER D CB  
3381 O OG  . SER D 79  ? 0.1394 0.2463 0.0961 0.0291  -0.0011 0.0249  93  SER D OG  
3382 N N   . GLY D 80  ? 0.1018 0.2202 0.0805 0.0316  -0.0024 0.0350  94  GLY D N   
3383 C CA  . GLY D 80  ? 0.1252 0.2272 0.0940 0.0331  -0.0321 0.0273  94  GLY D CA  
3384 C C   . GLY D 80  ? 0.1051 0.2278 0.0830 0.0186  -0.0215 0.0223  94  GLY D C   
3385 O O   . GLY D 80  ? 0.1338 0.2117 0.0968 0.0074  -0.0049 0.0007  94  GLY D O   
3386 N N   . GLN D 81  ? 0.1120 0.2435 0.0713 0.0255  0.0037  0.0328  95  GLN D N   
3387 C CA  . GLN D 81  ? 0.1453 0.2665 0.0906 0.0139  -0.0079 0.0258  95  GLN D CA  
3388 C C   . GLN D 81  ? 0.1440 0.2680 0.0927 0.0101  -0.0166 0.0326  95  GLN D C   
3389 O O   . GLN D 81  ? 0.1653 0.2611 0.0889 0.0099  -0.0141 0.0238  95  GLN D O   
3390 C CB  . GLN D 81  ? 0.2056 0.2759 0.1294 0.0354  -0.0084 -0.0052 95  GLN D CB  
3391 C CG  . GLN D 81  ? 0.2035 0.2816 0.1704 0.0362  -0.0465 -0.0047 95  GLN D CG  
3392 C CD  . GLN D 81  ? 0.1856 0.2799 0.1454 0.0241  -0.0322 -0.0297 95  GLN D CD  
3393 O OE1 . GLN D 81  ? 0.1414 0.2758 0.1276 0.0187  -0.0339 -0.0027 95  GLN D OE1 
3394 N NE2 . GLN D 81  ? 0.2330 0.2768 0.1228 0.0136  -0.0113 -0.0257 95  GLN D NE2 
3395 N N   . TYR D 82  ? 0.1495 0.2773 0.0827 -0.0052 0.0093  0.0409  96  TYR D N   
3396 C CA  . TYR D 82  ? 0.1405 0.2926 0.0844 -0.0117 -0.0050 0.0398  96  TYR D CA  
3397 C C   . TYR D 82  ? 0.1452 0.3096 0.1311 -0.0103 -0.0092 0.0537  96  TYR D C   
3398 O O   . TYR D 82  ? 0.1694 0.2970 0.1402 -0.0256 -0.0040 0.0703  96  TYR D O   
3399 C CB  . TYR D 82  ? 0.1433 0.3196 0.0846 0.0018  -0.0021 0.0235  96  TYR D CB  
3400 C CG  . TYR D 82  ? 0.1499 0.3474 0.0954 0.0162  0.0146  0.0274  96  TYR D CG  
3401 C CD1 . TYR D 82  ? 0.1683 0.3650 0.1007 0.0122  -0.0013 0.0401  96  TYR D CD1 
3402 C CD2 . TYR D 82  ? 0.2011 0.3793 0.1059 -0.0069 -0.0225 0.0271  96  TYR D CD2 
3403 C CE1 . TYR D 82  ? 0.2089 0.3834 0.1130 0.0051  -0.0082 0.0451  96  TYR D CE1 
3404 C CE2 . TYR D 82  ? 0.2131 0.3925 0.1150 -0.0107 -0.0070 0.0517  96  TYR D CE2 
3405 C CZ  . TYR D 82  ? 0.2378 0.3780 0.1084 -0.0011 -0.0002 0.0522  96  TYR D CZ  
3406 O OH  . TYR D 82  ? 0.2863 0.4025 0.1174 0.0080  -0.0023 0.0594  96  TYR D OH  
3407 N N   . VAL D 83  ? 0.1477 0.3243 0.1725 -0.0154 -0.0265 0.0733  97  VAL D N   
3408 C CA  . VAL D 83  ? 0.2316 0.3467 0.2238 -0.0135 -0.0017 0.1145  97  VAL D CA  
3409 C C   . VAL D 83  ? 0.2361 0.3665 0.2275 -0.0039 -0.0321 0.1505  97  VAL D C   
3410 O O   . VAL D 83  ? 0.2092 0.3753 0.2225 -0.0125 -0.0024 0.1604  97  VAL D O   
3411 C CB  . VAL D 83  ? 0.2861 0.3495 0.2784 -0.0105 0.0397  0.1126  97  VAL D CB  
3412 C CG1 . VAL D 83  ? 0.2939 0.3537 0.3237 0.0051  0.0276  0.1061  97  VAL D CG1 
3413 C CG2 . VAL D 83  ? 0.3215 0.3509 0.2850 -0.0179 0.0480  0.1040  97  VAL D CG2 
3414 N N   . GLY D 84  ? 0.3008 0.3816 0.2692 -0.0069 -0.0611 0.1494  98  GLY D N   
3415 C CA  . GLY D 84  ? 0.3280 0.3899 0.2835 -0.0151 -0.0668 0.1591  98  GLY D CA  
3416 C C   . GLY D 84  ? 0.3867 0.3979 0.2990 -0.0086 -0.0770 0.1763  98  GLY D C   
3417 O O   . GLY D 84  ? 0.4314 0.4001 0.3334 -0.0132 -0.0758 0.1791  98  GLY D O   
3418 N N   . GLY D 85  ? 0.4117 0.4092 0.3276 -0.0064 -0.0325 0.1758  99  GLY D N   
3419 C CA  . GLY D 85  ? 0.4019 0.4144 0.3205 0.0087  -0.0170 0.1871  99  GLY D CA  
3420 C C   . GLY D 85  ? 0.4148 0.4163 0.3201 0.0112  0.0103  0.1934  99  GLY D C   
3421 O O   . GLY D 85  ? 0.4124 0.4197 0.3100 0.0229  0.0036  0.1900  99  GLY D O   
3422 N N   . ALA D 86  ? 0.4096 0.4165 0.3207 0.0005  0.0383  0.1944  100 ALA D N   
3423 C CA  . ALA D 86  ? 0.4159 0.4158 0.3381 -0.0093 0.0423  0.1800  100 ALA D CA  
3424 C C   . ALA D 86  ? 0.4300 0.4129 0.3358 -0.0207 0.0339  0.1539  100 ALA D C   
3425 O O   . ALA D 86  ? 0.4298 0.4201 0.3607 -0.0115 0.0176  0.1460  100 ALA D O   
3426 C CB  . ALA D 86  ? 0.4251 0.4176 0.3668 -0.0111 0.0375  0.1856  100 ALA D CB  
3427 N N   . GLU D 87  ? 0.4435 0.3971 0.3144 -0.0359 0.0115  0.1457  101 GLU D N   
3428 C CA  . GLU D 87  ? 0.4448 0.3788 0.3160 -0.0428 -0.0023 0.1392  101 GLU D CA  
3429 C C   . GLU D 87  ? 0.4016 0.3595 0.2781 -0.0472 0.0166  0.1444  101 GLU D C   
3430 O O   . GLU D 87  ? 0.4043 0.3581 0.3116 -0.0469 0.0220  0.1341  101 GLU D O   
3431 C CB  . GLU D 87  ? 0.4736 0.3788 0.3621 -0.0408 -0.0069 0.1335  101 GLU D CB  
3432 C CG  . GLU D 87  ? 0.4798 0.3782 0.3789 -0.0422 -0.0191 0.1333  101 GLU D CG  
3433 C CD  . GLU D 87  ? 0.4874 0.3777 0.4000 -0.0437 -0.0173 0.1350  101 GLU D CD  
3434 O OE1 . GLU D 87  ? 0.4922 0.3781 0.4138 -0.0488 -0.0101 0.1319  101 GLU D OE1 
3435 O OE2 . GLU D 87  ? 0.4927 0.3779 0.4067 -0.0466 -0.0020 0.1339  101 GLU D OE2 
3436 N N   . ALA D 88  ? 0.3432 0.3504 0.2299 -0.0498 0.0145  0.1368  102 ALA D N   
3437 C CA  . ALA D 88  ? 0.3040 0.3395 0.1929 -0.0433 -0.0282 0.1119  102 ALA D CA  
3438 C C   . ALA D 88  ? 0.2318 0.3295 0.1563 -0.0235 -0.0062 0.0783  102 ALA D C   
3439 O O   . ALA D 88  ? 0.2096 0.3301 0.1521 -0.0390 0.0067  0.0661  102 ALA D O   
3440 C CB  . ALA D 88  ? 0.3136 0.3443 0.1918 -0.0532 -0.0578 0.1022  102 ALA D CB  
3441 N N   . ARG D 89  ? 0.2027 0.3215 0.1119 -0.0191 -0.0024 0.0687  103 ARG D N   
3442 C CA  . ARG D 89  ? 0.2048 0.2986 0.1040 -0.0155 0.0133  0.0655  103 ARG D CA  
3443 C C   . ARG D 89  ? 0.1937 0.2966 0.0916 -0.0160 -0.0041 0.0513  103 ARG D C   
3444 O O   . ARG D 89  ? 0.1777 0.3115 0.1261 -0.0188 -0.0126 0.0472  103 ARG D O   
3445 C CB  . ARG D 89  ? 0.2623 0.3157 0.1780 -0.0249 -0.0080 0.0567  103 ARG D CB  
3446 C CG  . ARG D 89  ? 0.2741 0.3196 0.2348 -0.0370 -0.0240 0.0487  103 ARG D CG  
3447 C CD  . ARG D 89  ? 0.2978 0.3219 0.2934 -0.0430 -0.0274 0.0457  103 ARG D CD  
3448 N NE  . ARG D 89  ? 0.3291 0.3238 0.3593 -0.0459 -0.0176 0.0376  103 ARG D NE  
3449 C CZ  . ARG D 89  ? 0.2942 0.3220 0.3762 -0.0540 -0.0178 0.0309  103 ARG D CZ  
3450 N NH1 . ARG D 89  ? 0.2871 0.3250 0.3840 -0.0470 -0.0171 0.0298  103 ARG D NH1 
3451 N NH2 . ARG D 89  ? 0.2730 0.3219 0.3859 -0.0672 -0.0308 0.0261  103 ARG D NH2 
3452 N N   . ILE D 90  ? 0.1537 0.2759 0.0770 -0.0107 -0.0103 0.0288  104 ILE D N   
3453 C CA  . ILE D 90  ? 0.1431 0.2615 0.0796 -0.0214 -0.0056 0.0420  104 ILE D CA  
3454 C C   . ILE D 90  ? 0.1328 0.2523 0.0931 -0.0130 -0.0088 0.0350  104 ILE D C   
3455 O O   . ILE D 90  ? 0.1269 0.2532 0.1173 -0.0146 0.0007  0.0207  104 ILE D O   
3456 C CB  . ILE D 90  ? 0.1595 0.2653 0.0883 -0.0183 0.0187  0.0388  104 ILE D CB  
3457 C CG1 . ILE D 90  ? 0.1911 0.2693 0.1244 -0.0061 0.0167  0.0102  104 ILE D CG1 
3458 C CG2 . ILE D 90  ? 0.1827 0.2701 0.1272 -0.0306 -0.0090 0.0488  104 ILE D CG2 
3459 C CD1 . ILE D 90  ? 0.1817 0.2692 0.1392 -0.0126 0.0197  0.0083  104 ILE D CD1 
3460 N N   . ASN D 91  ? 0.1296 0.2496 0.0795 0.0038  0.0026  0.0203  105 ASN D N   
3461 C CA  . ASN D 91  ? 0.1281 0.2495 0.1120 0.0087  0.0185  0.0160  105 ASN D CA  
3462 C C   . ASN D 91  ? 0.0965 0.2331 0.0950 -0.0041 0.0008  -0.0023 105 ASN D C   
3463 O O   . ASN D 91  ? 0.1211 0.2367 0.1199 -0.0099 0.0056  0.0034  105 ASN D O   
3464 C CB  . ASN D 91  ? 0.1871 0.2671 0.1651 0.0341  0.0323  0.0268  105 ASN D CB  
3465 C CG  . ASN D 91  ? 0.1904 0.2851 0.2285 0.0353  0.0256  0.0481  105 ASN D CG  
3466 O OD1 . ASN D 91  ? 0.2273 0.2972 0.2571 0.0412  0.0469  0.0607  105 ASN D OD1 
3467 N ND2 . ASN D 91  ? 0.2530 0.2947 0.2622 0.0365  0.0343  0.0471  105 ASN D ND2 
3468 N N   . THR D 92  ? 0.1174 0.2179 0.0865 -0.0167 0.0118  0.0089  106 THR D N   
3469 C CA  . THR D 92  ? 0.1107 0.2184 0.0662 -0.0056 -0.0055 0.0000  106 THR D CA  
3470 C C   . THR D 92  ? 0.1260 0.2263 0.0950 -0.0201 0.0188  0.0044  106 THR D C   
3471 O O   . THR D 92  ? 0.1318 0.2253 0.1161 -0.0186 0.0258  -0.0079 106 THR D O   
3472 C CB  . THR D 92  ? 0.0989 0.2206 0.0868 0.0182  -0.0108 -0.0179 106 THR D CB  
3473 O OG1 . THR D 92  ? 0.1471 0.2148 0.0929 0.0165  0.0021  -0.0072 106 THR D OG1 
3474 C CG2 . THR D 92  ? 0.1752 0.2252 0.0889 0.0163  0.0277  -0.0060 106 THR D CG2 
3475 N N   . GLN D 93  ? 0.1070 0.2372 0.0611 -0.0065 -0.0001 0.0015  107 GLN D N   
3476 C CA  . GLN D 93  ? 0.1212 0.2277 0.0639 0.0246  0.0071  -0.0179 107 GLN D CA  
3477 C C   . GLN D 93  ? 0.1244 0.2265 0.0755 0.0035  -0.0105 -0.0004 107 GLN D C   
3478 O O   . GLN D 93  ? 0.1437 0.2222 0.1349 -0.0067 0.0113  -0.0053 107 GLN D O   
3479 C CB  . GLN D 93  ? 0.1453 0.2476 0.0864 0.0484  -0.0043 -0.0080 107 GLN D CB  
3480 C CG  . GLN D 93  ? 0.2161 0.2490 0.1158 0.0440  0.0174  -0.0193 107 GLN D CG  
3481 C CD  . GLN D 93  ? 0.2176 0.2550 0.1092 0.0337  0.0101  -0.0002 107 GLN D CD  
3482 O OE1 . GLN D 93  ? 0.1803 0.2724 0.1424 0.0409  -0.0268 -0.0306 107 GLN D OE1 
3483 N NE2 . GLN D 93  ? 0.1973 0.2558 0.1279 0.0006  -0.0239 0.0065  107 GLN D NE2 
3484 N N   . TRP D 94  ? 0.1310 0.2200 0.0693 0.0117  -0.0070 -0.0018 108 TRP D N   
3485 C CA  . TRP D 94  ? 0.1231 0.2207 0.0779 0.0057  -0.0003 -0.0047 108 TRP D CA  
3486 C C   . TRP D 94  ? 0.1421 0.2224 0.0680 0.0011  -0.0073 -0.0029 108 TRP D C   
3487 O O   . TRP D 94  ? 0.1289 0.2263 0.0689 -0.0118 -0.0021 -0.0075 108 TRP D O   
3488 C CB  . TRP D 94  ? 0.1036 0.2245 0.1040 0.0060  -0.0035 -0.0070 108 TRP D CB  
3489 C CG  . TRP D 94  ? 0.1245 0.2271 0.0639 0.0168  0.0097  0.0086  108 TRP D CG  
3490 C CD1 . TRP D 94  ? 0.1432 0.2223 0.0918 0.0244  0.0089  0.0015  108 TRP D CD1 
3491 C CD2 . TRP D 94  ? 0.1447 0.2246 0.0781 0.0188  0.0066  0.0004  108 TRP D CD2 
3492 N NE1 . TRP D 94  ? 0.1386 0.2294 0.1031 0.0286  0.0202  -0.0014 108 TRP D NE1 
3493 C CE2 . TRP D 94  ? 0.1467 0.2271 0.0969 0.0226  0.0089  -0.0060 108 TRP D CE2 
3494 C CE3 . TRP D 94  ? 0.1137 0.2164 0.0851 0.0340  -0.0086 -0.0009 108 TRP D CE3 
3495 C CZ2 . TRP D 94  ? 0.1447 0.2232 0.0893 0.0296  0.0014  -0.0045 108 TRP D CZ2 
3496 C CZ3 . TRP D 94  ? 0.1217 0.2256 0.1074 0.0166  0.0289  0.0085  108 TRP D CZ3 
3497 C CH2 . TRP D 94  ? 0.1594 0.2269 0.1168 0.0196  0.0064  -0.0018 108 TRP D CH2 
3498 N N   . LEU D 95  ? 0.1295 0.2224 0.0868 0.0298  0.0148  0.0132  109 LEU D N   
3499 C CA  . LEU D 95  ? 0.1324 0.2136 0.0629 0.0167  0.0192  0.0185  109 LEU D CA  
3500 C C   . LEU D 95  ? 0.1380 0.2216 0.0682 0.0180  -0.0092 -0.0167 109 LEU D C   
3501 O O   . LEU D 95  ? 0.1587 0.2408 0.1233 0.0396  -0.0465 -0.0478 109 LEU D O   
3502 C CB  . LEU D 95  ? 0.1323 0.2204 0.0960 0.0038  0.0158  0.0263  109 LEU D CB  
3503 C CG  . LEU D 95  ? 0.1310 0.2275 0.0983 0.0049  0.0182  0.0210  109 LEU D CG  
3504 C CD1 . LEU D 95  ? 0.1579 0.2324 0.1326 0.0040  0.0206  0.0488  109 LEU D CD1 
3505 C CD2 . LEU D 95  ? 0.1780 0.2298 0.1039 -0.0254 0.0221  0.0009  109 LEU D CD2 
3506 N N   . LEU D 96  ? 0.1101 0.2222 0.1024 0.0090  0.0074  -0.0081 110 LEU D N   
3507 C CA  . LEU D 96  ? 0.0890 0.2316 0.0892 0.0217  0.0238  -0.0033 110 LEU D CA  
3508 C C   . LEU D 96  ? 0.1630 0.2132 0.0862 0.0507  0.0133  -0.0015 110 LEU D C   
3509 O O   . LEU D 96  ? 0.1828 0.2081 0.0943 0.0410  -0.0055 -0.0158 110 LEU D O   
3510 C CB  . LEU D 96  ? 0.1054 0.2578 0.1141 0.0179  0.0359  -0.0120 110 LEU D CB  
3511 C CG  . LEU D 96  ? 0.0912 0.2876 0.1566 0.0222  0.0285  -0.0312 110 LEU D CG  
3512 C CD1 . LEU D 96  ? 0.1539 0.2892 0.1295 0.0316  -0.0020 -0.0481 110 LEU D CD1 
3513 C CD2 . LEU D 96  ? 0.0996 0.2942 0.1977 0.0146  0.0510  -0.0169 110 LEU D CD2 
3514 N N   . THR D 97  ? 0.1662 0.2005 0.0808 0.0698  0.0072  -0.0065 111 THR D N   
3515 C CA  . THR D 97  ? 0.1663 0.2115 0.0916 0.0541  -0.0008 0.0018  111 THR D CA  
3516 C C   . THR D 97  ? 0.1270 0.2424 0.0931 0.0600  -0.0128 -0.0246 111 THR D C   
3517 O O   . THR D 97  ? 0.1803 0.2461 0.0980 0.0510  -0.0094 -0.0424 111 THR D O   
3518 C CB  . THR D 97  ? 0.1763 0.2071 0.0960 0.0330  -0.0022 0.0201  111 THR D CB  
3519 O OG1 . THR D 97  ? 0.1692 0.2119 0.1233 0.0257  0.0029  0.0046  111 THR D OG1 
3520 C CG2 . THR D 97  ? 0.1979 0.2049 0.1119 0.0219  -0.0097 0.0183  111 THR D CG2 
3521 N N   . SER D 98  ? 0.1268 0.2641 0.1193 0.0659  -0.0339 -0.0256 112 SER D N   
3522 C CA  . SER D 98  ? 0.1127 0.2808 0.1301 0.0640  -0.0208 -0.0273 112 SER D CA  
3523 C C   . SER D 98  ? 0.1717 0.2842 0.1230 0.0651  -0.0407 -0.0323 112 SER D C   
3524 O O   . SER D 98  ? 0.2379 0.2876 0.1088 0.0576  -0.0007 -0.0250 112 SER D O   
3525 C CB  . SER D 98  ? 0.1380 0.2930 0.1687 0.0595  -0.0175 -0.0115 112 SER D CB  
3526 O OG  . SER D 98  ? 0.1215 0.2969 0.2010 0.0426  -0.0085 -0.0053 112 SER D OG  
3527 N N   . GLY D 99  ? 0.1801 0.2882 0.1251 0.0800  -0.0465 -0.0410 113 GLY D N   
3528 C CA  . GLY D 99  ? 0.2061 0.2982 0.1292 0.0694  -0.0590 -0.0211 113 GLY D CA  
3529 C C   . GLY D 99  ? 0.2048 0.3082 0.1464 0.0793  -0.0471 -0.0126 113 GLY D C   
3530 O O   . GLY D 99  ? 0.2254 0.3198 0.1679 0.0805  -0.0547 0.0045  113 GLY D O   
3531 N N   . THR D 100 ? 0.2309 0.3085 0.1297 0.0790  -0.0415 -0.0076 114 THR D N   
3532 C CA  . THR D 100 ? 0.2016 0.2991 0.1320 0.0820  -0.0630 -0.0184 114 THR D CA  
3533 C C   . THR D 100 ? 0.2163 0.2900 0.1137 0.0800  -0.0541 -0.0203 114 THR D C   
3534 O O   . THR D 100 ? 0.2884 0.2924 0.1155 0.0736  -0.0435 -0.0123 114 THR D O   
3535 C CB  . THR D 100 ? 0.1908 0.2908 0.1466 0.0815  -0.0696 -0.0197 114 THR D CB  
3536 O OG1 . THR D 100 ? 0.2109 0.2960 0.1562 0.0941  -0.0300 -0.0385 114 THR D OG1 
3537 C CG2 . THR D 100 ? 0.2177 0.3035 0.1680 0.0916  -0.0694 -0.0145 114 THR D CG2 
3538 N N   . THR D 101 ? 0.2432 0.2928 0.1357 0.0823  -0.0382 -0.0110 115 THR D N   
3539 C CA  . THR D 101 ? 0.2651 0.3039 0.1366 0.0787  -0.0634 -0.0008 115 THR D CA  
3540 C C   . THR D 101 ? 0.2609 0.3027 0.1228 0.0456  -0.0435 -0.0017 115 THR D C   
3541 O O   . THR D 101 ? 0.2555 0.3019 0.1258 0.0424  -0.0538 0.0012  115 THR D O   
3542 C CB  . THR D 101 ? 0.2786 0.3181 0.1595 0.0735  -0.0624 -0.0091 115 THR D CB  
3543 O OG1 . THR D 101 ? 0.2946 0.3279 0.1708 0.0460  -0.0740 -0.0092 115 THR D OG1 
3544 C CG2 . THR D 101 ? 0.2888 0.3228 0.2148 0.0787  -0.0474 0.0055  115 THR D CG2 
3545 N N   . GLU D 102 ? 0.2491 0.3058 0.1615 0.0297  -0.0319 0.0064  116 GLU D N   
3546 C CA  . GLU D 102 ? 0.2751 0.3056 0.1767 0.0149  -0.0036 0.0124  116 GLU D CA  
3547 C C   . GLU D 102 ? 0.2668 0.3090 0.1553 0.0218  -0.0346 0.0043  116 GLU D C   
3548 O O   . GLU D 102 ? 0.2731 0.3163 0.1573 0.0227  -0.0145 0.0122  116 GLU D O   
3549 C CB  . GLU D 102 ? 0.3346 0.3039 0.2153 -0.0004 0.0066  0.0108  116 GLU D CB  
3550 C CG  . GLU D 102 ? 0.3810 0.3056 0.2531 -0.0078 0.0290  0.0218  116 GLU D CG  
3551 C CD  . GLU D 102 ? 0.4185 0.3074 0.2782 -0.0125 0.0618  0.0293  116 GLU D CD  
3552 O OE1 . GLU D 102 ? 0.4327 0.3107 0.2861 -0.0146 0.0855  0.0298  116 GLU D OE1 
3553 O OE2 . GLU D 102 ? 0.4311 0.3073 0.2942 -0.0205 0.0671  0.0359  116 GLU D OE2 
3554 N N   . ALA D 103 ? 0.2652 0.3112 0.1535 0.0314  -0.0578 -0.0008 117 ALA D N   
3555 C CA  . ALA D 103 ? 0.2676 0.3108 0.1547 0.0305  -0.0988 -0.0106 117 ALA D CA  
3556 C C   . ALA D 103 ? 0.2932 0.3082 0.1554 0.0469  -0.0823 -0.0078 117 ALA D C   
3557 O O   . ALA D 103 ? 0.3182 0.3062 0.1620 0.0597  -0.1005 -0.0059 117 ALA D O   
3558 C CB  . ALA D 103 ? 0.2877 0.3172 0.1645 0.0257  -0.1161 -0.0110 117 ALA D CB  
3559 N N   . ASN D 104 ? 0.2431 0.3079 0.1321 0.0488  -0.0805 -0.0002 118 ASN D N   
3560 C CA  . ASN D 104 ? 0.2141 0.3102 0.1726 0.0621  -0.0527 -0.0038 118 ASN D CA  
3561 C C   . ASN D 104 ? 0.2226 0.2927 0.1345 0.0611  -0.0439 -0.0080 118 ASN D C   
3562 O O   . ASN D 104 ? 0.2584 0.2793 0.1313 0.0603  -0.0133 -0.0206 118 ASN D O   
3563 C CB  . ASN D 104 ? 0.2324 0.3315 0.2102 0.0630  -0.0633 -0.0254 118 ASN D CB  
3564 C CG  . ASN D 104 ? 0.2507 0.3545 0.2487 0.0615  -0.0762 -0.0486 118 ASN D CG  
3565 O OD1 . ASN D 104 ? 0.2456 0.3731 0.2748 0.0427  -0.0959 -0.0513 118 ASN D OD1 
3566 N ND2 . ASN D 104 ? 0.2679 0.3603 0.2833 0.0813  -0.0884 -0.0469 118 ASN D ND2 
3567 N N   . ALA D 105 ? 0.1920 0.2915 0.1322 0.0740  -0.0580 -0.0077 119 ALA D N   
3568 C CA  . ALA D 105 ? 0.1851 0.2996 0.1319 0.0865  -0.0534 -0.0077 119 ALA D CA  
3569 C C   . ALA D 105 ? 0.2177 0.3001 0.1171 0.0965  -0.0486 -0.0161 119 ALA D C   
3570 O O   . ALA D 105 ? 0.2282 0.3053 0.1025 0.1035  -0.0223 -0.0307 119 ALA D O   
3571 C CB  . ALA D 105 ? 0.2164 0.3110 0.1620 0.0862  -0.0337 -0.0078 119 ALA D CB  
3572 N N   . TRP D 106 ? 0.2454 0.2981 0.1402 0.1009  -0.0668 -0.0303 120 TRP D N   
3573 C CA  . TRP D 106 ? 0.2992 0.2949 0.1301 0.0923  -0.0614 -0.0311 120 TRP D CA  
3574 C C   . TRP D 106 ? 0.3086 0.2907 0.1531 0.0790  -0.0650 -0.0377 120 TRP D C   
3575 O O   . TRP D 106 ? 0.3761 0.2911 0.1635 0.0920  -0.0408 -0.0349 120 TRP D O   
3576 C CB  . TRP D 106 ? 0.3488 0.2960 0.1215 0.0862  -0.0511 -0.0332 120 TRP D CB  
3577 C CG  . TRP D 106 ? 0.3791 0.2982 0.1307 0.0728  -0.0618 -0.0321 120 TRP D CG  
3578 C CD1 . TRP D 106 ? 0.3818 0.2980 0.1449 0.0699  -0.0851 -0.0295 120 TRP D CD1 
3579 C CD2 . TRP D 106 ? 0.4164 0.2994 0.1827 0.0619  -0.0969 -0.0232 120 TRP D CD2 
3580 N NE1 . TRP D 106 ? 0.3918 0.2955 0.1889 0.0604  -0.1213 -0.0258 120 TRP D NE1 
3581 C CE2 . TRP D 106 ? 0.4161 0.3027 0.1989 0.0443  -0.1243 -0.0221 120 TRP D CE2 
3582 C CE3 . TRP D 106 ? 0.4472 0.3036 0.2189 0.0421  -0.1030 -0.0234 120 TRP D CE3 
3583 C CZ2 . TRP D 106 ? 0.4226 0.3079 0.2328 0.0403  -0.1435 -0.0101 120 TRP D CZ2 
3584 C CZ3 . TRP D 106 ? 0.4286 0.3081 0.2468 0.0316  -0.1379 -0.0120 120 TRP D CZ3 
3585 C CH2 . TRP D 106 ? 0.4292 0.3081 0.2413 0.0301  -0.1553 -0.0138 120 TRP D CH2 
3586 N N   . LYS D 107 ? 0.2654 0.2900 0.1407 0.0560  -0.0835 -0.0420 121 LYS D N   
3587 C CA  . LYS D 107 ? 0.2556 0.2894 0.1594 0.0500  -0.0857 -0.0122 121 LYS D CA  
3588 C C   . LYS D 107 ? 0.2256 0.2735 0.1319 0.0558  -0.0642 -0.0128 121 LYS D C   
3589 O O   . LYS D 107 ? 0.2559 0.2775 0.1610 0.0290  -0.0701 -0.0149 121 LYS D O   
3590 C CB  . LYS D 107 ? 0.2507 0.3061 0.2443 0.0462  -0.1005 0.0084  121 LYS D CB  
3591 C CG  . LYS D 107 ? 0.2430 0.3206 0.2885 0.0465  -0.1158 0.0156  121 LYS D CG  
3592 C CD  . LYS D 107 ? 0.2727 0.3360 0.3251 0.0335  -0.1012 0.0166  121 LYS D CD  
3593 C CE  . LYS D 107 ? 0.2768 0.3480 0.3542 0.0239  -0.1172 0.0143  121 LYS D CE  
3594 N NZ  . LYS D 107 ? 0.2861 0.3580 0.3921 0.0241  -0.0976 0.0163  121 LYS D NZ  
3595 N N   . SER D 108 ? 0.2246 0.2570 0.1010 0.0581  -0.0378 -0.0294 122 SER D N   
3596 C CA  . SER D 108 ? 0.1948 0.2541 0.0759 0.0376  -0.0206 -0.0160 122 SER D CA  
3597 C C   . SER D 108 ? 0.1599 0.2423 0.0830 0.0391  -0.0299 0.0067  122 SER D C   
3598 O O   . SER D 108 ? 0.1792 0.2421 0.0776 0.0303  -0.0228 -0.0162 122 SER D O   
3599 C CB  . SER D 108 ? 0.2415 0.2652 0.1118 0.0137  0.0176  -0.0308 122 SER D CB  
3600 O OG  . SER D 108 ? 0.2841 0.2751 0.1265 -0.0209 0.0197  -0.0234 122 SER D OG  
3601 N N   . THR D 109 ? 0.0867 0.2404 0.0924 0.0254  -0.0250 -0.0053 123 THR D N   
3602 C CA  . THR D 109 ? 0.0836 0.2419 0.0942 0.0251  -0.0233 -0.0038 123 THR D CA  
3603 C C   . THR D 109 ? 0.1245 0.2421 0.0671 0.0205  0.0058  -0.0203 123 THR D C   
3604 O O   . THR D 109 ? 0.1109 0.2500 0.0886 0.0128  0.0256  -0.0254 123 THR D O   
3605 C CB  . THR D 109 ? 0.0768 0.2444 0.1354 0.0103  -0.0310 -0.0014 123 THR D CB  
3606 O OG1 . THR D 109 ? 0.1555 0.2426 0.1418 -0.0081 -0.0053 0.0032  123 THR D OG1 
3607 C CG2 . THR D 109 ? 0.0751 0.2404 0.1226 0.0118  -0.0268 -0.0190 123 THR D CG2 
3608 N N   . LEU D 110 ? 0.1112 0.2472 0.0712 0.0242  0.0000  -0.0212 124 LEU D N   
3609 C CA  . LEU D 110 ? 0.1217 0.2386 0.0982 0.0251  -0.0090 -0.0123 124 LEU D CA  
3610 C C   . LEU D 110 ? 0.1343 0.2256 0.0723 0.0272  -0.0162 0.0007  124 LEU D C   
3611 O O   . LEU D 110 ? 0.1702 0.2137 0.0822 0.0222  -0.0117 -0.0244 124 LEU D O   
3612 C CB  . LEU D 110 ? 0.1140 0.2481 0.1382 0.0237  0.0084  -0.0386 124 LEU D CB  
3613 C CG  . LEU D 110 ? 0.1382 0.2597 0.1508 0.0187  0.0221  -0.0558 124 LEU D CG  
3614 C CD1 . LEU D 110 ? 0.1493 0.2626 0.1608 0.0186  0.0253  -0.0671 124 LEU D CD1 
3615 C CD2 . LEU D 110 ? 0.1423 0.2603 0.1687 -0.0044 -0.0006 -0.0589 124 LEU D CD2 
3616 N N   . VAL D 111 ? 0.1312 0.2276 0.0913 0.0151  -0.0110 -0.0055 125 VAL D N   
3617 C CA  . VAL D 111 ? 0.1237 0.2271 0.0844 0.0187  0.0058  -0.0057 125 VAL D CA  
3618 C C   . VAL D 111 ? 0.1027 0.2291 0.0783 0.0125  -0.0142 -0.0179 125 VAL D C   
3619 O O   . VAL D 111 ? 0.0990 0.2484 0.0873 0.0082  -0.0120 -0.0089 125 VAL D O   
3620 C CB  . VAL D 111 ? 0.1300 0.2291 0.0844 0.0299  0.0252  -0.0334 125 VAL D CB  
3621 C CG1 . VAL D 111 ? 0.1448 0.2293 0.1038 0.0053  0.0486  -0.0426 125 VAL D CG1 
3622 C CG2 . VAL D 111 ? 0.0939 0.2454 0.1119 0.0512  0.0103  -0.0280 125 VAL D CG2 
3623 N N   . GLY D 112 ? 0.1329 0.2214 0.0578 0.0079  -0.0023 -0.0085 126 GLY D N   
3624 C CA  . GLY D 112 ? 0.1477 0.2211 0.0814 -0.0145 -0.0183 0.0102  126 GLY D CA  
3625 C C   . GLY D 112 ? 0.1478 0.2236 0.0814 0.0027  0.0016  -0.0026 126 GLY D C   
3626 O O   . GLY D 112 ? 0.1336 0.2236 0.0891 0.0061  0.0151  0.0074  126 GLY D O   
3627 N N   . HIS D 113 ? 0.1325 0.2383 0.0839 0.0056  -0.0092 0.0122  127 HIS D N   
3628 C CA  . HIS D 113 ? 0.1475 0.2524 0.0837 0.0093  0.0148  0.0056  127 HIS D CA  
3629 C C   . HIS D 113 ? 0.1402 0.2663 0.0862 -0.0001 -0.0006 0.0248  127 HIS D C   
3630 O O   . HIS D 113 ? 0.1970 0.2885 0.1295 -0.0296 -0.0170 0.0186  127 HIS D O   
3631 C CB  . HIS D 113 ? 0.1911 0.2672 0.1505 0.0050  -0.0072 0.0018  127 HIS D CB  
3632 C CG  . HIS D 113 ? 0.2599 0.2788 0.1971 -0.0061 0.0275  -0.0247 127 HIS D CG  
3633 N ND1 . HIS D 113 ? 0.2965 0.2890 0.2417 -0.0128 0.0117  -0.0320 127 HIS D ND1 
3634 C CD2 . HIS D 113 ? 0.2627 0.2845 0.2192 -0.0162 -0.0113 -0.0378 127 HIS D CD2 
3635 C CE1 . HIS D 113 ? 0.2917 0.2922 0.2449 -0.0160 0.0137  -0.0335 127 HIS D CE1 
3636 N NE2 . HIS D 113 ? 0.2771 0.2931 0.2495 -0.0085 -0.0208 -0.0362 127 HIS D NE2 
3637 N N   . ASP D 114 ? 0.1436 0.2603 0.0789 -0.0073 -0.0040 0.0261  128 ASP D N   
3638 C CA  . ASP D 114 ? 0.1423 0.2503 0.0767 0.0004  0.0157  0.0169  128 ASP D CA  
3639 C C   . ASP D 114 ? 0.1429 0.2441 0.0719 0.0046  0.0267  0.0068  128 ASP D C   
3640 O O   . ASP D 114 ? 0.1366 0.2431 0.0977 0.0003  0.0367  0.0212  128 ASP D O   
3641 C CB  . ASP D 114 ? 0.1526 0.2593 0.1122 -0.0008 0.0053  0.0027  128 ASP D CB  
3642 C CG  A ASP D 114 ? 0.1695 0.2667 0.1092 -0.0109 0.0244  0.0119  128 ASP D CG  
3643 C CG  B ASP D 114 ? 0.1445 0.2603 0.1206 -0.0131 -0.0033 0.0035  128 ASP D CG  
3644 O OD1 A ASP D 114 ? 0.1716 0.2604 0.0962 -0.0188 0.0534  0.0033  128 ASP D OD1 
3645 O OD1 B ASP D 114 ? 0.1733 0.2619 0.1188 -0.0047 -0.0243 -0.0029 128 ASP D OD1 
3646 O OD2 A ASP D 114 ? 0.1731 0.2688 0.1355 -0.0054 0.0035  0.0223  128 ASP D OD2 
3647 O OD2 B ASP D 114 ? 0.1146 0.2558 0.1371 -0.0191 -0.0225 0.0139  128 ASP D OD2 
3648 N N   . THR D 115 ? 0.1796 0.2530 0.0710 -0.0110 -0.0003 0.0048  129 THR D N   
3649 C CA  . THR D 115 ? 0.1873 0.2644 0.0743 0.0165  0.0040  0.0153  129 THR D CA  
3650 C C   . THR D 115 ? 0.1338 0.2548 0.0732 -0.0008 0.0051  0.0146  129 THR D C   
3651 O O   . THR D 115 ? 0.1627 0.2616 0.1092 -0.0120 0.0133  0.0072  129 THR D O   
3652 C CB  . THR D 115 ? 0.2891 0.2834 0.1176 0.0427  0.0117  0.0095  129 THR D CB  
3653 O OG1 . THR D 115 ? 0.3559 0.2960 0.1766 0.0376  0.0284  -0.0060 129 THR D OG1 
3654 C CG2 . THR D 115 ? 0.2980 0.2869 0.1303 0.0516  0.0081  0.0222  129 THR D CG2 
3655 N N   . PHE D 116 ? 0.1810 0.2483 0.0656 0.0092  -0.0003 0.0149  130 PHE D N   
3656 C CA  . PHE D 116 ? 0.1744 0.2597 0.0758 0.0043  0.0024  0.0000  130 PHE D CA  
3657 C C   . PHE D 116 ? 0.1566 0.2506 0.0699 0.0010  -0.0191 0.0151  130 PHE D C   
3658 O O   . PHE D 116 ? 0.1489 0.2484 0.0879 -0.0040 -0.0103 0.0269  130 PHE D O   
3659 C CB  . PHE D 116 ? 0.1783 0.2745 0.1057 -0.0016 0.0007  -0.0071 130 PHE D CB  
3660 C CG  . PHE D 116 ? 0.1902 0.2832 0.0782 -0.0150 0.0105  -0.0095 130 PHE D CG  
3661 C CD1 . PHE D 116 ? 0.2023 0.2911 0.0930 -0.0143 0.0350  0.0015  130 PHE D CD1 
3662 C CD2 . PHE D 116 ? 0.1602 0.2734 0.0713 -0.0183 -0.0055 -0.0049 130 PHE D CD2 
3663 C CE1 . PHE D 116 ? 0.2157 0.2949 0.0945 -0.0109 0.0239  0.0052  130 PHE D CE1 
3664 C CE2 . PHE D 116 ? 0.1331 0.2874 0.1044 -0.0345 -0.0144 -0.0043 130 PHE D CE2 
3665 C CZ  . PHE D 116 ? 0.1443 0.2894 0.1072 -0.0399 0.0170  -0.0179 130 PHE D CZ  
3666 N N   . THR D 117 ? 0.1821 0.2548 0.0759 -0.0040 0.0273  0.0237  131 THR D N   
3667 C CA  . THR D 117 ? 0.1743 0.2736 0.1020 -0.0036 0.0300  0.0200  131 THR D CA  
3668 C C   . THR D 117 ? 0.1595 0.2810 0.0918 0.0208  0.0241  0.0357  131 THR D C   
3669 O O   . THR D 117 ? 0.1372 0.2767 0.1077 -0.0024 0.0022  0.0338  131 THR D O   
3670 C CB  . THR D 117 ? 0.2453 0.2865 0.1768 -0.0100 0.0209  -0.0005 131 THR D CB  
3671 O OG1 . THR D 117 ? 0.3025 0.2961 0.2373 -0.0151 0.0379  -0.0085 131 THR D OG1 
3672 C CG2 . THR D 117 ? 0.2825 0.2900 0.1824 -0.0052 0.0383  -0.0050 131 THR D CG2 
3673 N N   . LYS D 118 ? 0.1734 0.2982 0.0987 0.0284  0.0271  0.0215  132 LYS D N   
3674 C CA  . LYS D 118 ? 0.1960 0.3210 0.1247 0.0086  -0.0004 0.0221  132 LYS D CA  
3675 C C   . LYS D 118 ? 0.2158 0.3191 0.1512 0.0083  0.0327  0.0529  132 LYS D C   
3676 O O   . LYS D 118 ? 0.2106 0.3065 0.1732 0.0315  0.0678  0.0635  132 LYS D O   
3677 C CB  . LYS D 118 ? 0.1688 0.3470 0.1732 0.0185  -0.0366 0.0111  132 LYS D CB  
3678 C CG  . LYS D 118 ? 0.2096 0.3683 0.2551 -0.0094 -0.0256 -0.0203 132 LYS D CG  
3679 C CD  . LYS D 118 ? 0.2745 0.3816 0.3476 -0.0161 0.0331  -0.0287 132 LYS D CD  
3680 C CE  . LYS D 118 ? 0.3604 0.3909 0.3937 0.0054  0.0254  -0.0246 132 LYS D CE  
3681 N NZ  . LYS D 118 ? 0.4595 0.3981 0.4382 0.0062  0.0640  -0.0222 132 LYS D NZ  
3682 N N   . VAL D 119 ? 0.1949 0.3354 0.1836 -0.0118 0.0370  0.0604  133 VAL D N   
3683 C CA  . VAL D 119 ? 0.2695 0.3583 0.2316 -0.0212 0.0424  0.0582  133 VAL D CA  
3684 C C   . VAL D 119 ? 0.3091 0.3774 0.3065 -0.0370 0.0312  0.0418  133 VAL D C   
3685 O O   . VAL D 119 ? 0.3676 0.3845 0.3285 -0.0494 0.0403  0.0244  133 VAL D O   
3686 C CB  . VAL D 119 ? 0.3165 0.3695 0.2597 0.0083  0.0242  0.0475  133 VAL D CB  
3687 C CG1 . VAL D 119 ? 0.3281 0.3698 0.2729 0.0047  0.0195  0.0675  133 VAL D CG1 
3688 C CG2 . VAL D 119 ? 0.3183 0.3744 0.2904 0.0186  0.0919  0.0451  133 VAL D CG2 
3689 N N   . LYS D 120 ? 0.3752 0.3903 0.3875 -0.0365 -0.0076 0.0496  134 LYS D N   
3690 C CA  . LYS D 120 ? 0.4341 0.3997 0.4626 -0.0177 -0.0246 0.0468  134 LYS D CA  
3691 C C   . LYS D 120 ? 0.4716 0.4023 0.4981 -0.0124 -0.0272 0.0518  134 LYS D C   
3692 O O   . LYS D 120 ? 0.4795 0.4032 0.5254 -0.0058 -0.0293 0.0573  134 LYS D O   
3693 C CB  . LYS D 120 ? 0.4380 0.4070 0.5068 -0.0105 -0.0471 0.0472  134 LYS D CB  
3694 C CG  . LYS D 120 ? 0.4626 0.4149 0.5502 0.0074  -0.0459 0.0460  134 LYS D CG  
3695 C CD  . LYS D 120 ? 0.4875 0.4203 0.5717 0.0187  -0.0416 0.0457  134 LYS D CD  
3696 C CE  . LYS D 120 ? 0.4988 0.4256 0.5720 0.0268  -0.0532 0.0420  134 LYS D CE  
3697 N NZ  . LYS D 120 ? 0.4967 0.4284 0.5687 0.0362  -0.0624 0.0415  134 LYS D NZ  
3698 C C1  . GOL E .   ? 0.2656 0.4297 0.2129 0.0439  0.0256  0.0299  301 GOL A C1  
3699 O O1  . GOL E .   ? 0.3060 0.4440 0.2834 0.0412  -0.0033 0.0139  301 GOL A O1  
3700 C C2  . GOL E .   ? 0.1856 0.4153 0.1291 0.0154  -0.0092 0.0649  301 GOL A C2  
3701 O O2  . GOL E .   ? 0.2410 0.4259 0.1961 0.0164  -0.0198 0.0287  301 GOL A O2  
3702 C C3  . GOL E .   ? 0.2295 0.4121 0.1859 -0.0154 -0.0770 0.0877  301 GOL A C3  
3703 O O3  . GOL E .   ? 0.3376 0.4245 0.2658 -0.0162 -0.0394 0.0660  301 GOL A O3  
3704 S S   . DMS F .   ? 0.1576 0.2689 0.1447 -0.0241 -0.0052 -0.0088 302 DMS A S   
3705 O O   . DMS F .   ? 0.1326 0.2685 0.1116 -0.0402 -0.0015 -0.0172 302 DMS A O   
3706 C C1  . DMS F .   ? 0.1154 0.2679 0.1103 -0.0098 0.0157  -0.0019 302 DMS A C1  
3707 C C2  . DMS F .   ? 0.1764 0.2777 0.1506 -0.0333 0.0122  -0.0333 302 DMS A C2  
3708 C C1  . GOL G .   ? 0.0998 0.3417 0.0909 -0.0502 0.0020  -0.0107 301 GOL B C1  
3709 O O1  . GOL G .   ? 0.2022 0.3655 0.1823 -0.0253 -0.0409 -0.0202 301 GOL B O1  
3710 C C2  . GOL G .   ? 0.2457 0.4194 0.1722 -0.0445 -0.0404 -0.0299 301 GOL B C2  
3711 O O2  . GOL G .   ? 0.3367 0.4404 0.2461 -0.0375 -0.0170 -0.0034 301 GOL B O2  
3712 C C3  . GOL G .   ? 0.2152 0.4322 0.1506 -0.0327 0.0529  -0.0289 301 GOL B C3  
3713 O O3  . GOL G .   ? 0.2935 0.4485 0.1976 -0.0175 0.0190  -0.0213 301 GOL B O3  
3714 C C1  . GOL H .   ? 0.2573 0.2736 0.1442 0.0487  0.0163  -0.0182 301 GOL C C1  
3715 O O1  . GOL H .   ? 0.3349 0.3057 0.2503 0.0531  -0.0048 -0.0450 301 GOL C O1  
3716 C C2  . GOL H .   ? 0.0886 0.2068 0.0578 0.0362  0.0050  -0.0052 301 GOL C C2  
3717 O O2  . GOL H .   ? 0.1853 0.2509 0.1171 0.0671  -0.0050 0.0118  301 GOL C O2  
3718 C C3  . GOL H .   ? 0.2469 0.2645 0.1851 0.0523  0.0069  -0.0050 301 GOL C C3  
3719 O O3  . GOL H .   ? 0.3374 0.2908 0.2630 0.0081  0.0272  -0.0066 301 GOL C O3  
3720 S S   . DMS I .   ? 0.4105 0.4419 0.2954 0.0887  0.0280  0.0667  302 DMS C S   
3721 O O   . DMS I .   ? 0.3887 0.4390 0.2933 0.0623  0.0679  0.0834  302 DMS C O   
3722 C C1  . DMS I .   ? 0.4295 0.4408 0.3014 0.0794  0.0185  0.0708  302 DMS C C1  
3723 C C2  . DMS I .   ? 0.3940 0.4395 0.2794 0.0897  -0.0024 0.0604  302 DMS C C2  
3724 C C1  . GOL J .   ? 0.1256 0.3822 0.2678 -0.0012 -0.0642 -0.0362 301 GOL D C1  
3725 O O1  . GOL J .   ? 0.2536 0.4560 0.3265 -0.0337 -0.0522 -0.0494 301 GOL D O1  
3726 C C2  . GOL J .   ? 0.1128 0.3861 0.2427 0.0230  -0.0252 -0.0791 301 GOL D C2  
3727 O O2  . GOL J .   ? 0.1997 0.4374 0.3324 0.0008  0.0034  -0.0934 301 GOL D O2  
3728 C C3  . GOL J .   ? 0.1212 0.4204 0.2719 0.0286  -0.0033 -0.0916 301 GOL D C3  
3729 O O3  . GOL J .   ? 0.1869 0.4325 0.3357 0.0711  0.0301  -0.1070 301 GOL D O3  
3730 O O   . HOH K .   ? 0.5551 0.4633 0.2640 -0.0825 0.0169  0.0565  401 HOH A O   
3731 O O   . HOH K .   ? 0.6521 0.7667 0.4038 0.0605  -0.1640 0.0217  402 HOH A O   
3732 O O   . HOH K .   ? 0.2256 0.4529 0.3958 0.0422  0.0241  0.1733  403 HOH A O   
3733 O O   . HOH K .   ? 0.5593 0.5530 0.5206 0.0022  0.0486  0.0426  404 HOH A O   
3734 O O   . HOH K .   ? 0.2190 0.3776 0.2311 -0.0017 0.0189  0.0016  405 HOH A O   
3735 O O   . HOH K .   ? 0.2733 0.4322 0.1806 0.0172  0.0208  0.0910  406 HOH A O   
3736 O O   . HOH K .   ? 0.5013 0.5936 0.6585 -0.0452 0.0050  -0.0587 407 HOH A O   
3737 O O   . HOH K .   ? 0.3814 0.7227 0.7436 -0.0325 -0.0019 0.0139  408 HOH A O   
3738 O O   . HOH K .   ? 0.4096 0.3659 0.2943 -0.0966 0.0220  -0.0714 409 HOH A O   
3739 O O   . HOH K .   ? 0.1371 0.2452 0.1953 -0.0001 -0.0023 0.0041  410 HOH A O   
3740 O O   . HOH K .   ? 0.3491 0.4696 0.1971 0.0431  0.0033  -0.0343 411 HOH A O   
3741 O O   . HOH K .   ? 0.4968 0.5352 0.5083 0.1646  -0.0472 0.1971  412 HOH A O   
3742 O O   . HOH K .   ? 0.2131 0.2526 0.1949 0.0208  -0.0379 -0.0125 413 HOH A O   
3743 O O   . HOH K .   ? 0.5115 0.2441 0.2318 -0.0455 -0.0482 0.0282  414 HOH A O   
3744 O O   . HOH K .   ? 0.3584 0.2913 0.1784 -0.0161 0.0441  -0.0390 415 HOH A O   
3745 O O   . HOH K .   ? 0.6641 0.4335 0.2807 0.0470  -0.0261 0.1118  416 HOH A O   
3746 O O   . HOH K .   ? 0.4733 0.3680 0.4160 0.0749  0.0629  -0.0162 417 HOH A O   
3747 O O   . HOH K .   ? 0.2575 0.3503 0.1816 -0.0863 0.0441  0.0084  418 HOH A O   
3748 O O   . HOH K .   ? 0.4275 0.3696 0.3802 0.1485  -0.0036 0.0537  419 HOH A O   
3749 O O   . HOH K .   ? 0.1481 0.1904 0.0863 0.0035  -0.0020 -0.0261 420 HOH A O   
3750 O O   . HOH K .   ? 0.3105 0.5201 0.5248 0.0424  0.1024  -0.0873 421 HOH A O   
3751 O O   . HOH K .   ? 0.4076 0.3042 0.4705 -0.0242 -0.1900 0.1358  422 HOH A O   
3752 O O   . HOH K .   ? 0.4169 0.2678 0.3138 -0.0343 0.1369  -0.0279 423 HOH A O   
3753 O O   . HOH K .   ? 0.3206 0.4154 0.2622 0.0886  -0.0281 -0.0241 424 HOH A O   
3754 O O   . HOH K .   ? 0.2667 0.2943 0.3988 0.0702  0.0623  0.0970  425 HOH A O   
3755 O O   . HOH K .   ? 0.1688 0.5600 0.4605 0.0086  -0.0922 -0.0063 426 HOH A O   
3756 O O   . HOH K .   ? 0.3675 0.3976 0.6396 -0.1007 0.0845  0.0709  427 HOH A O   
3757 O O   . HOH K .   ? 0.2471 0.2692 0.2858 0.0393  -0.1496 -0.0663 428 HOH A O   
3758 O O   . HOH K .   ? 0.1603 0.3357 0.1511 0.0165  0.0348  0.0123  429 HOH A O   
3759 O O   . HOH K .   ? 0.3430 0.3391 0.3657 -0.0970 0.0835  -0.1900 430 HOH A O   
3760 O O   . HOH K .   ? 0.6612 0.4230 0.3156 0.0770  -0.1297 -0.1595 431 HOH A O   
3761 O O   . HOH K .   ? 0.1789 0.4977 0.5243 -0.0064 -0.0110 -0.0130 432 HOH A O   
3762 O O   . HOH K .   ? 0.5357 0.4257 0.4925 -0.1610 -0.0820 -0.1236 433 HOH A O   
3763 O O   . HOH K .   ? 0.5189 0.2735 0.2254 0.0483  0.0147  -0.0033 434 HOH A O   
3764 O O   . HOH K .   ? 0.3960 0.3823 0.3663 -0.0678 0.0906  -0.0086 435 HOH A O   
3765 O O   . HOH K .   ? 0.4340 0.3814 0.5759 0.1828  -0.1658 -0.1093 436 HOH A O   
3766 O O   . HOH K .   ? 0.4789 0.6917 0.6981 0.0332  -0.1707 -0.1642 437 HOH A O   
3767 O O   . HOH K .   ? 0.1862 0.2878 0.1117 -0.0104 -0.0188 0.0137  438 HOH A O   
3768 O O   . HOH K .   ? 0.3816 0.3825 0.4649 -0.0012 -0.0272 -0.0455 439 HOH A O   
3769 O O   . HOH K .   ? 0.6506 0.3864 0.2320 -0.1215 -0.0917 0.0154  440 HOH A O   
3770 O O   . HOH K .   ? 0.2054 0.3027 0.1758 -0.0456 0.0301  -0.0121 441 HOH A O   
3771 O O   . HOH K .   ? 0.3444 0.2550 0.2272 0.0537  -0.0543 -0.0641 442 HOH A O   
3772 O O   . HOH K .   ? 0.6059 0.4601 0.4409 0.1875  0.2215  -0.0016 443 HOH A O   
3773 O O   . HOH K .   ? 0.1823 0.4179 0.2594 -0.0542 -0.0526 0.0931  444 HOH A O   
3774 O O   . HOH K .   ? 0.7867 0.5616 0.4938 -0.0587 0.0977  0.2469  445 HOH A O   
3775 O O   . HOH K .   ? 0.3978 0.2855 0.2795 0.0674  -0.0354 -0.0568 446 HOH A O   
3776 O O   . HOH K .   ? 0.5267 0.6902 0.4611 -0.0175 0.2290  0.0234  447 HOH A O   
3777 O O   . HOH K .   ? 0.6018 0.3409 0.2479 -0.0218 -0.0741 -0.0722 448 HOH A O   
3778 O O   . HOH K .   ? 0.6726 0.4415 0.2880 0.1518  -0.0617 -0.0056 449 HOH A O   
3779 O O   . HOH K .   ? 0.3419 0.2621 0.2423 0.0538  -0.0655 0.0316  450 HOH A O   
3780 O O   . HOH K .   ? 0.3896 0.5051 0.2303 -0.0847 -0.0012 -0.0534 451 HOH A O   
3781 O O   . HOH K .   ? 0.6612 0.4759 0.2549 0.0018  0.1115  0.1047  452 HOH A O   
3782 O O   . HOH K .   ? 0.1961 0.6637 0.1866 0.0950  -0.0112 -0.0137 453 HOH A O   
3783 O O   . HOH K .   ? 0.1520 0.2949 0.1519 0.0582  -0.0156 -0.0022 454 HOH A O   
3784 O O   . HOH K .   ? 0.4058 0.3695 0.5417 -0.1468 0.2501  -0.1699 455 HOH A O   
3785 O O   . HOH K .   ? 0.1549 0.2995 0.1451 0.0169  0.0331  -0.0061 456 HOH A O   
3786 O O   . HOH K .   ? 0.2997 0.3803 0.2359 -0.0614 -0.0145 -0.0577 457 HOH A O   
3787 O O   . HOH K .   ? 0.4675 0.4475 0.2538 -0.1349 0.1236  0.0597  458 HOH A O   
3788 O O   . HOH K .   ? 0.1323 0.2435 0.1139 -0.0101 -0.0213 -0.0160 459 HOH A O   
3789 O O   . HOH K .   ? 0.2307 0.2932 0.2111 -0.0089 -0.0224 0.0720  460 HOH A O   
3790 O O   . HOH K .   ? 0.4361 0.6454 0.2584 0.0368  -0.0257 0.1810  461 HOH A O   
3791 O O   . HOH K .   ? 0.6397 0.4576 0.2685 -0.0876 0.1538  -0.0109 462 HOH A O   
3792 O O   . HOH K .   ? 0.4121 0.4040 0.2844 0.0028  -0.1797 -0.0137 463 HOH A O   
3793 O O   . HOH K .   ? 0.3913 0.6173 0.5304 0.1537  0.1509  0.0179  464 HOH A O   
3794 O O   . HOH K .   ? 0.1658 0.3610 0.1607 -0.0133 0.0226  -0.0088 465 HOH A O   
3795 O O   . HOH K .   ? 0.4465 0.4845 0.6309 0.0687  -0.1785 0.1072  466 HOH A O   
3796 O O   . HOH K .   ? 0.1990 0.3134 0.1558 0.0903  -0.0071 0.0304  467 HOH A O   
3797 O O   . HOH K .   ? 0.6523 0.6909 0.6340 -0.0602 -0.0438 0.1212  468 HOH A O   
3798 O O   . HOH K .   ? 0.5782 0.4554 0.3897 0.1452  0.0322  0.0383  469 HOH A O   
3799 O O   . HOH K .   ? 0.2575 0.3878 0.1290 0.0146  0.0152  0.0213  470 HOH A O   
3800 O O   . HOH K .   ? 0.2446 0.5649 0.5281 -0.0122 -0.0164 0.1772  471 HOH A O   
3801 O O   . HOH K .   ? 0.2614 0.5677 0.3046 0.0067  0.0034  0.0376  472 HOH A O   
3802 O O   . HOH K .   ? 0.1227 0.3142 0.1592 -0.0187 -0.0110 0.0386  473 HOH A O   
3803 O O   . HOH K .   ? 0.2299 0.3375 0.7591 0.0427  0.0287  0.0703  474 HOH A O   
3804 O O   . HOH K .   ? 0.1996 0.3796 0.4453 0.0603  -0.0704 -0.1563 475 HOH A O   
3805 O O   . HOH K .   ? 0.1838 0.5392 0.2223 0.0078  0.0418  -0.0368 476 HOH A O   
3806 O O   . HOH K .   ? 0.3550 0.4712 0.5680 0.0957  -0.1139 -0.1242 477 HOH A O   
3807 O O   . HOH K .   ? 0.2507 0.3321 0.1839 -0.0208 0.0074  0.0054  478 HOH A O   
3808 O O   . HOH K .   ? 0.2964 0.4751 0.5554 0.0787  -0.0110 -0.1900 479 HOH A O   
3809 O O   . HOH K .   ? 0.6142 0.4558 0.6282 0.1575  0.1424  -0.0666 480 HOH A O   
3810 O O   . HOH K .   ? 0.3276 0.3301 0.2772 0.0149  0.0386  -0.0153 481 HOH A O   
3811 O O   . HOH K .   ? 0.3688 0.3275 0.2249 0.0737  -0.0379 0.0079  482 HOH A O   
3812 O O   . HOH K .   ? 0.4442 0.4322 0.5434 -0.0569 0.2780  -0.1001 483 HOH A O   
3813 O O   . HOH K .   ? 0.4682 0.6654 0.2969 0.0018  -0.0314 0.2171  484 HOH A O   
3814 O O   . HOH K .   ? 0.3552 0.4707 0.4104 -0.0215 0.0185  -0.1900 485 HOH A O   
3815 O O   . HOH K .   ? 0.2235 0.8100 0.2909 -0.0931 -0.0120 0.0404  486 HOH A O   
3816 O O   . HOH K .   ? 0.5300 0.2497 0.2461 0.0031  0.0555  0.0717  487 HOH A O   
3817 O O   . HOH K .   ? 0.4539 0.4109 0.3206 0.1419  0.0129  -0.0896 488 HOH A O   
3818 O O   . HOH K .   ? 0.5278 0.6174 0.6508 0.0267  -0.0214 0.1346  489 HOH A O   
3819 O O   . HOH K .   ? 0.6905 0.5030 0.4536 0.0707  -0.0098 0.0712  490 HOH A O   
3820 O O   . HOH K .   ? 0.1980 0.6718 0.2548 0.0125  -0.0474 0.0246  491 HOH A O   
3821 O O   . HOH K .   ? 0.3315 0.3209 0.1619 0.0100  -0.0493 0.0663  492 HOH A O   
3822 O O   . HOH K .   ? 0.4100 0.6772 0.2489 -0.1737 0.0081  0.1229  493 HOH A O   
3823 O O   . HOH K .   ? 0.5192 0.3876 0.2752 -0.1757 -0.1529 0.0999  494 HOH A O   
3824 O O   . HOH K .   ? 0.5664 0.5295 0.2285 -0.0539 0.0085  -0.0001 495 HOH A O   
3825 O O   . HOH K .   ? 0.3288 0.6023 0.5873 -0.1354 -0.0951 0.2647  496 HOH A O   
3826 O O   . HOH K .   ? 0.3658 0.3702 0.2550 -0.0875 0.0305  -0.0401 497 HOH A O   
3827 O O   . HOH K .   ? 0.1646 0.3024 0.3024 0.0105  0.0180  -0.0390 498 HOH A O   
3828 O O   . HOH K .   ? 0.3777 0.5841 0.5731 0.2315  -0.0173 -0.0811 499 HOH A O   
3829 O O   . HOH K .   ? 0.3446 0.5507 0.4470 0.1333  -0.0752 -0.1339 500 HOH A O   
3830 O O   . HOH K .   ? 0.7313 0.6035 0.3845 0.1506  -0.0075 -0.0354 501 HOH A O   
3831 O O   . HOH K .   ? 0.2414 0.2585 0.2256 0.0262  -0.0171 -0.0144 502 HOH A O   
3832 O O   . HOH K .   ? 0.3830 0.6589 0.4901 -0.0480 -0.0626 -0.1485 503 HOH A O   
3833 O O   . HOH K .   ? 0.1641 0.3989 0.5868 0.0295  0.0403  0.0253  504 HOH A O   
3834 O O   . HOH K .   ? 0.5271 0.5802 0.3468 -0.1900 0.0528  0.1656  505 HOH A O   
3835 O O   . HOH K .   ? 0.5196 0.6303 0.4371 0.1030  -0.0363 -0.0666 506 HOH A O   
3836 O O   . HOH K .   ? 0.4845 0.4138 0.7544 -0.0067 0.0825  0.0202  507 HOH A O   
3837 O O   . HOH K .   ? 0.5288 0.4649 0.3292 0.1746  0.0989  -0.0369 508 HOH A O   
3838 O O   . HOH K .   ? 0.3189 0.4637 0.7363 -0.1154 0.1516  -0.0101 509 HOH A O   
3839 O O   . HOH K .   ? 0.4094 0.5940 0.4165 -0.0039 -0.1209 0.0720  510 HOH A O   
3840 O O   . HOH K .   ? 0.8319 0.6536 0.5829 -0.0626 -0.0781 -0.0342 511 HOH A O   
3841 O O   . HOH K .   ? 0.8757 0.6608 0.5635 0.0620  0.0776  0.1210  512 HOH A O   
3842 O O   . HOH K .   ? 0.2364 0.5009 0.3138 0.0911  0.0274  0.0454  513 HOH A O   
3843 O O   . HOH K .   ? 0.4609 0.5031 0.2958 0.0545  -0.0458 -0.1255 514 HOH A O   
3844 O O   . HOH K .   ? 0.4741 0.6468 0.5992 0.0502  -0.0980 -0.0240 515 HOH A O   
3845 O O   . HOH K .   ? 0.3453 0.6552 0.6276 -0.1644 -0.1230 0.1143  516 HOH A O   
3846 O O   . HOH K .   ? 0.2103 0.5866 0.5310 -0.1289 0.0466  -0.0391 517 HOH A O   
3847 O O   . HOH K .   ? 0.4508 0.5999 0.6915 0.2083  0.0551  0.1545  518 HOH A O   
3848 O O   . HOH K .   ? 0.2096 0.4318 0.6007 0.0192  0.0396  0.1674  519 HOH A O   
3849 O O   . HOH K .   ? 0.7105 0.5683 0.3240 -0.1608 0.0488  0.1398  520 HOH A O   
3850 O O   . HOH K .   ? 0.3638 0.5995 0.7042 0.0095  -0.0307 0.1119  521 HOH A O   
3851 O O   . HOH K .   ? 0.8123 0.6379 0.5505 0.0756  0.0771  -0.0389 522 HOH A O   
3852 O O   . HOH K .   ? 0.6042 0.5883 0.4654 0.0812  0.0140  0.0846  523 HOH A O   
3853 O O   . HOH K .   ? 0.7414 0.4641 0.2683 -0.1078 0.0855  0.0606  524 HOH A O   
3854 O O   . HOH K .   ? 0.2145 0.4792 0.6357 0.0054  -0.0322 -0.0346 525 HOH A O   
3855 O O   . HOH K .   ? 0.4455 0.7269 0.4492 0.0576  0.1747  -0.0032 526 HOH A O   
3856 O O   . HOH K .   ? 0.5750 0.6090 0.5342 -0.1260 0.1544  -0.0363 527 HOH A O   
3857 O O   . HOH K .   ? 0.3316 0.5379 0.5978 0.0366  0.2198  0.1463  528 HOH A O   
3858 O O   . HOH K .   ? 0.4573 0.4610 0.5637 -0.1147 -0.0571 0.0045  529 HOH A O   
3859 O O   . HOH K .   ? 0.3992 0.3945 0.4890 -0.0201 -0.1070 -0.1435 530 HOH A O   
3860 O O   . HOH K .   ? 0.5738 0.6747 0.4163 0.1277  -0.0601 -0.0563 531 HOH A O   
3861 O O   . HOH K .   ? 0.6740 0.4445 0.4730 0.1269  -0.0509 -0.1499 532 HOH A O   
3862 O O   . HOH K .   ? 0.5195 0.6225 0.4596 -0.0533 0.0707  -0.0927 533 HOH A O   
3863 O O   . HOH K .   ? 0.4856 0.4747 0.4772 -0.0062 -0.1625 -0.1469 534 HOH A O   
3864 O O   . HOH K .   ? 0.7217 0.5917 0.4312 0.1171  0.0538  0.1923  535 HOH A O   
3865 O O   . HOH K .   ? 0.5975 0.4998 0.6106 -0.0319 -0.0661 -0.0341 536 HOH A O   
3866 O O   . HOH K .   ? 0.2753 0.5484 0.6422 0.0091  -0.0657 -0.0478 537 HOH A O   
3867 O O   . HOH K .   ? 0.3365 0.7891 0.3580 -0.1580 -0.0684 0.2537  538 HOH A O   
3868 O O   . HOH K .   ? 0.6868 0.7440 0.7098 -0.0607 0.2145  -0.0452 539 HOH A O   
3869 O O   . HOH K .   ? 0.4018 0.6121 0.5778 -0.0985 0.0791  0.0074  540 HOH A O   
3870 O O   . HOH K .   ? 0.5804 0.5847 0.6141 0.0271  -0.0366 0.0983  541 HOH A O   
3871 O O   . HOH K .   ? 0.3272 0.5978 0.4890 -0.0246 0.1283  0.1096  542 HOH A O   
3872 O O   . HOH K .   ? 0.5281 0.4630 0.4794 -0.0618 -0.0446 -0.0688 543 HOH A O   
3873 O O   . HOH K .   ? 0.4540 0.4857 0.4559 -0.1532 -0.0469 -0.0624 544 HOH A O   
3874 O O   . HOH K .   ? 0.6377 0.6397 0.4398 -0.0951 0.1609  -0.1107 545 HOH A O   
3875 O O   . HOH K .   ? 0.6475 0.6244 0.4844 0.0215  -0.1170 -0.0293 546 HOH A O   
3876 O O   . HOH K .   ? 0.4200 0.6325 0.5957 0.0087  -0.1900 -0.0277 547 HOH A O   
3877 O O   . HOH K .   ? 0.6759 0.5690 0.6272 -0.0199 -0.1401 -0.0426 548 HOH A O   
3878 O O   . HOH K .   ? 0.6247 0.5379 0.6546 0.0558  0.0212  -0.0008 549 HOH A O   
3879 O O   . HOH K .   ? 0.5349 0.6383 0.4550 -0.0092 0.0677  0.0831  550 HOH A O   
3880 O O   . HOH K .   ? 0.5593 0.6196 0.5207 -0.0016 -0.0914 0.0523  551 HOH A O   
3881 O O   . HOH K .   ? 0.3831 0.3596 0.3570 -0.0715 0.0578  -0.0862 552 HOH A O   
3882 O O   . HOH K .   ? 0.5961 0.4643 0.6154 -0.0383 -0.0942 -0.0632 553 HOH A O   
3883 O O   . HOH K .   ? 0.6917 0.4847 0.4498 -0.0749 0.0141  0.0493  554 HOH A O   
3884 O O   . HOH L .   ? 0.7484 0.5618 0.6802 0.1598  0.0026  -0.0834 401 HOH B O   
3885 O O   . HOH L .   ? 0.5354 0.2919 0.3194 0.1283  0.1425  -0.0015 402 HOH B O   
3886 O O   . HOH L .   ? 0.3405 0.2719 0.2021 0.0069  0.0672  -0.0296 403 HOH B O   
3887 O O   . HOH L .   ? 0.3016 0.4956 0.5521 0.0341  0.0923  -0.1136 404 HOH B O   
3888 O O   . HOH L .   ? 0.2868 0.6131 0.5262 0.0763  0.0376  -0.0175 405 HOH B O   
3889 O O   . HOH L .   ? 0.2543 0.3236 0.1970 0.0388  0.0206  0.0432  406 HOH B O   
3890 O O   . HOH L .   ? 0.4067 0.4968 0.2340 -0.0510 -0.0141 0.0396  407 HOH B O   
3891 O O   . HOH L .   ? 0.2422 0.5940 0.2770 0.0226  -0.0321 0.0106  408 HOH B O   
3892 O O   . HOH L .   ? 0.6837 0.4045 0.2979 0.2686  0.1751  0.1022  409 HOH B O   
3893 O O   . HOH L .   ? 0.6109 0.3870 0.4258 -0.1436 0.2111  -0.1845 410 HOH B O   
3894 O O   . HOH L .   ? 0.2286 0.5523 0.5873 -0.0439 0.1279  -0.1422 411 HOH B O   
3895 O O   . HOH L .   ? 0.2971 0.6470 0.3650 -0.0112 0.0365  -0.1900 412 HOH B O   
3896 O O   . HOH L .   ? 0.1660 0.4345 0.1886 -0.0200 -0.0132 0.0585  413 HOH B O   
3897 O O   . HOH L .   ? 0.2156 0.4355 0.1358 -0.1033 -0.0152 0.0607  414 HOH B O   
3898 O O   . HOH L .   ? 0.1471 0.2283 0.0881 -0.0078 -0.0104 -0.0302 415 HOH B O   
3899 O O   . HOH L .   ? 0.2138 0.3979 0.4832 -0.0348 -0.0784 0.0096  416 HOH B O   
3900 O O   . HOH L .   ? 0.2566 0.3332 0.1564 0.0371  -0.0126 -0.0459 417 HOH B O   
3901 O O   . HOH L .   ? 0.5078 0.5197 0.4560 0.1500  0.1167  0.0287  418 HOH B O   
3902 O O   . HOH L .   ? 0.1030 0.2260 0.1693 0.0264  -0.0046 0.0111  419 HOH B O   
3903 O O   . HOH L .   ? 0.2716 0.6378 0.5738 0.0775  0.1707  -0.0700 420 HOH B O   
3904 O O   . HOH L .   ? 0.2044 0.5243 0.2442 -0.0874 0.0696  -0.1245 421 HOH B O   
3905 O O   . HOH L .   ? 0.6603 0.5251 0.4239 -0.0618 0.0068  0.0068  422 HOH B O   
3906 O O   . HOH L .   ? 0.1799 0.4477 0.2251 -0.0648 -0.0645 0.1220  423 HOH B O   
3907 O O   . HOH L .   ? 0.3753 0.6923 0.2842 0.1081  0.0257  -0.0028 424 HOH B O   
3908 O O   . HOH L .   ? 0.5642 0.4233 0.3389 0.0423  -0.0828 -0.0813 425 HOH B O   
3909 O O   . HOH L .   ? 0.1608 0.3581 0.1832 0.0158  0.0375  -0.0260 426 HOH B O   
3910 O O   . HOH L .   ? 0.1252 0.4557 0.1368 -0.0249 0.0078  -0.0709 427 HOH B O   
3911 O O   . HOH L .   ? 0.1375 0.4770 0.3104 0.0391  0.0092  -0.0864 428 HOH B O   
3912 O O   . HOH L .   ? 0.1481 0.2871 0.1690 -0.0015 -0.0011 -0.0027 429 HOH B O   
3913 O O   . HOH L .   ? 0.1478 0.1989 0.1862 0.0378  0.0048  0.0069  430 HOH B O   
3914 O O   . HOH L .   ? 0.2076 0.3388 0.2013 -0.0260 0.0779  -0.0276 431 HOH B O   
3915 O O   . HOH L .   ? 0.2910 0.5532 0.4745 0.0995  0.1098  0.1735  432 HOH B O   
3916 O O   . HOH L .   ? 0.1297 0.2636 0.1032 -0.0241 -0.0153 -0.0190 433 HOH B O   
3917 O O   . HOH L .   ? 0.2293 0.2533 0.2259 0.0038  -0.0321 -0.0027 434 HOH B O   
3918 O O   . HOH L .   ? 0.3580 0.4724 0.4053 -0.1022 -0.0609 0.1392  435 HOH B O   
3919 O O   . HOH L .   ? 0.1806 0.6043 0.2281 -0.0926 -0.0213 0.0414  436 HOH B O   
3920 O O   . HOH L .   ? 0.1579 0.4957 0.2503 -0.0181 -0.0612 0.0351  437 HOH B O   
3921 O O   . HOH L .   ? 0.3369 0.4112 0.5991 0.0524  0.2399  0.0901  438 HOH B O   
3922 O O   . HOH L .   ? 0.1553 0.5137 0.3001 0.0442  0.0110  -0.0828 439 HOH B O   
3923 O O   . HOH L .   ? 0.2787 0.4482 0.3072 -0.0724 0.1011  -0.1581 440 HOH B O   
3924 O O   . HOH L .   ? 0.5731 0.4588 0.3426 -0.0127 0.2299  -0.0875 441 HOH B O   
3925 O O   . HOH L .   ? 0.5459 0.7283 0.3272 0.0076  -0.1026 -0.1031 442 HOH B O   
3926 O O   . HOH L .   ? 0.2655 0.5546 0.3266 -0.0814 -0.0478 0.0160  443 HOH B O   
3927 O O   . HOH L .   ? 0.3845 0.4033 0.2016 0.0142  0.0532  -0.0343 444 HOH B O   
3928 O O   . HOH L .   ? 0.2535 0.5217 0.1787 -0.0704 0.0270  0.0018  445 HOH B O   
3929 O O   . HOH L .   ? 0.3188 0.5865 0.1940 -0.0910 -0.0002 0.1099  446 HOH B O   
3930 O O   . HOH L .   ? 0.1067 0.4083 0.1843 -0.0211 0.0055  -0.0281 447 HOH B O   
3931 O O   . HOH L .   ? 0.2678 0.2979 0.2535 0.0769  0.0949  0.0953  448 HOH B O   
3932 O O   . HOH L .   ? 0.5370 0.4044 0.4854 0.0573  0.2499  -0.0646 449 HOH B O   
3933 O O   . HOH L .   ? 0.0997 0.3495 0.2261 0.0030  -0.0242 -0.0094 450 HOH B O   
3934 O O   . HOH L .   ? 0.4491 0.5887 0.4699 0.1305  0.0373  -0.0802 451 HOH B O   
3935 O O   . HOH L .   ? 0.1289 0.4602 0.2502 -0.0220 -0.0054 -0.0364 452 HOH B O   
3936 O O   . HOH L .   ? 0.4068 0.5178 0.2675 0.1105  -0.0796 0.1046  453 HOH B O   
3937 O O   . HOH L .   ? 0.5318 0.4982 0.2520 0.0228  0.0142  -0.1459 454 HOH B O   
3938 O O   . HOH L .   ? 0.3841 0.3125 0.3978 -0.0904 -0.0539 0.1259  455 HOH B O   
3939 O O   . HOH L .   ? 0.2525 0.3545 0.1857 0.0378  0.0496  0.0180  456 HOH B O   
3940 O O   . HOH L .   ? 0.3719 0.5570 0.3552 -0.1701 0.1683  -0.0883 457 HOH B O   
3941 O O   . HOH L .   ? 0.6731 0.6052 0.3136 -0.0239 0.0245  -0.1195 458 HOH B O   
3942 O O   . HOH L .   ? 0.2604 0.4255 0.2412 0.0310  0.0265  -0.0809 459 HOH B O   
3943 O O   . HOH L .   ? 0.5176 0.5639 0.2210 0.1014  0.0859  0.0189  460 HOH B O   
3944 O O   . HOH L .   ? 0.2036 0.4806 0.2946 0.0377  0.0217  -0.0336 461 HOH B O   
3945 O O   . HOH L .   ? 0.2605 0.6218 0.2178 -0.0913 0.0112  -0.0703 462 HOH B O   
3946 O O   . HOH L .   ? 0.5667 0.5635 0.5902 -0.0798 0.2622  0.0230  463 HOH B O   
3947 O O   . HOH L .   ? 0.4832 0.4922 0.2917 -0.0232 0.1649  -0.1281 464 HOH B O   
3948 O O   . HOH L .   ? 0.3439 0.4910 0.6685 -0.1829 -0.0026 0.0185  465 HOH B O   
3949 O O   . HOH L .   ? 0.4469 0.5890 0.6716 -0.1290 0.0573  0.1258  466 HOH B O   
3950 O O   . HOH L .   ? 0.6339 0.7271 0.4214 -0.0409 -0.1307 0.2073  467 HOH B O   
3951 O O   . HOH L .   ? 0.2283 0.4159 0.7033 0.0027  0.0534  -0.0575 468 HOH B O   
3952 O O   . HOH L .   ? 0.2851 0.5104 0.6865 0.1705  0.0715  -0.0122 469 HOH B O   
3953 O O   . HOH L .   ? 0.4006 0.6708 0.4357 0.1009  -0.0808 0.1598  470 HOH B O   
3954 O O   . HOH L .   ? 0.2345 0.6237 0.3312 0.0732  0.0405  0.0527  471 HOH B O   
3955 O O   . HOH L .   ? 0.3744 0.4420 0.2707 0.0005  -0.0236 0.0309  472 HOH B O   
3956 O O   . HOH L .   ? 0.1971 0.3927 0.3397 0.0160  0.1157  0.0272  473 HOH B O   
3957 O O   . HOH L .   ? 0.1505 0.4444 0.1445 -0.0183 0.0336  -0.0249 474 HOH B O   
3958 O O   . HOH L .   ? 0.3362 0.5237 0.7970 0.1020  0.1873  0.0793  475 HOH B O   
3959 O O   . HOH L .   ? 0.6476 0.3473 0.6299 -0.0800 0.1970  -0.1900 476 HOH B O   
3960 O O   . HOH L .   ? 0.5992 0.5867 0.6894 0.0081  0.1952  0.0481  477 HOH B O   
3961 O O   . HOH L .   ? 0.5351 0.6745 0.4062 0.2039  0.0759  0.0210  478 HOH B O   
3962 O O   . HOH L .   ? 0.5936 0.4789 0.3369 0.0514  0.1014  -0.0559 479 HOH B O   
3963 O O   . HOH L .   ? 0.3915 0.6346 0.5023 -0.0885 -0.1900 0.2309  480 HOH B O   
3964 O O   . HOH L .   ? 0.7202 0.5603 0.5240 0.1034  0.1685  -0.0337 481 HOH B O   
3965 O O   . HOH L .   ? 0.2209 0.4702 0.3477 -0.0183 -0.0035 0.0181  482 HOH B O   
3966 O O   . HOH L .   ? 0.2022 0.5223 0.4086 0.0122  -0.0288 0.1330  483 HOH B O   
3967 O O   . HOH L .   ? 0.7032 0.5601 0.5272 -0.0196 -0.0931 -0.1392 484 HOH B O   
3968 O O   . HOH L .   ? 0.6717 0.4975 0.8097 -0.1692 0.3512  -0.1637 485 HOH B O   
3969 O O   . HOH L .   ? 0.3058 0.5946 0.5172 0.0202  0.1240  -0.0823 486 HOH B O   
3970 O O   . HOH L .   ? 0.5158 0.5941 0.4958 0.0519  -0.0371 0.0134  487 HOH B O   
3971 O O   . HOH L .   ? 0.6382 0.4717 0.3253 -0.0107 -0.1810 -0.0683 488 HOH B O   
3972 O O   . HOH L .   ? 0.2543 0.6329 0.3725 -0.0983 -0.1206 0.0679  489 HOH B O   
3973 O O   . HOH L .   ? 0.1183 0.3229 0.2101 -0.0201 -0.0204 -0.0309 490 HOH B O   
3974 O O   . HOH L .   ? 0.3405 0.5187 0.2333 -0.0631 -0.0037 -0.0054 491 HOH B O   
3975 O O   . HOH L .   ? 0.3350 0.4179 0.3250 -0.0647 -0.1284 0.0420  492 HOH B O   
3976 O O   . HOH L .   ? 0.4944 0.5453 0.5610 0.0379  0.0657  0.0248  493 HOH B O   
3977 O O   . HOH L .   ? 0.6681 0.5124 0.5251 0.0495  0.0781  0.0189  494 HOH B O   
3978 O O   . HOH L .   ? 0.4565 0.6453 0.5543 -0.0126 -0.0843 -0.0877 495 HOH B O   
3979 O O   . HOH L .   ? 0.3780 0.4518 0.3237 -0.0039 -0.0506 -0.0209 496 HOH B O   
3980 O O   . HOH L .   ? 0.7529 0.5799 0.6922 0.1292  -0.0946 -0.0441 497 HOH B O   
3981 O O   . HOH L .   ? 0.6712 0.5505 0.4420 -0.0044 0.1218  -0.0769 498 HOH B O   
3982 O O   . HOH L .   ? 0.6710 0.5304 0.3851 -0.0116 0.0985  0.1434  499 HOH B O   
3983 O O   . HOH L .   ? 0.4684 0.6616 0.3669 0.0847  -0.1214 -0.0981 500 HOH B O   
3984 O O   . HOH L .   ? 0.4710 0.6718 0.3783 -0.0392 -0.1764 -0.0799 501 HOH B O   
3985 O O   . HOH L .   ? 0.5436 0.5249 0.4928 -0.1263 -0.0887 0.1551  502 HOH B O   
3986 O O   . HOH L .   ? 0.5045 0.7085 0.4983 -0.0351 0.1822  -0.0454 503 HOH B O   
3987 O O   . HOH L .   ? 0.4587 0.5266 0.6256 -0.0219 -0.1277 -0.0762 504 HOH B O   
3988 O O   . HOH L .   ? 0.2595 0.6342 0.5588 0.0086  -0.0234 -0.1016 505 HOH B O   
3989 O O   . HOH L .   ? 0.4132 0.6233 0.4691 -0.1473 0.0049  -0.1642 506 HOH B O   
3990 O O   . HOH L .   ? 0.2887 0.4388 0.3768 0.0317  -0.0791 -0.0931 507 HOH B O   
3991 O O   . HOH L .   ? 0.5831 0.6594 0.6244 0.0826  -0.1208 -0.0352 508 HOH B O   
3992 O O   . HOH L .   ? 0.4849 0.6826 0.5276 0.1172  0.0767  -0.0716 509 HOH B O   
3993 O O   . HOH L .   ? 0.5359 0.6858 0.5269 -0.1637 0.1935  0.0491  510 HOH B O   
3994 O O   . HOH L .   ? 0.3332 0.5991 0.4745 0.0335  0.1168  0.0702  511 HOH B O   
3995 O O   . HOH L .   ? 0.3670 0.4810 0.3455 0.0034  -0.0026 0.0322  512 HOH B O   
3996 O O   . HOH L .   ? 0.6201 0.5025 0.5891 0.0435  -0.0479 -0.0350 513 HOH B O   
3997 O O   . HOH L .   ? 0.3077 0.7233 0.4803 0.1086  -0.1369 -0.1604 514 HOH B O   
3998 O O   . HOH L .   ? 0.7307 0.5495 0.6058 -0.0477 -0.1092 -0.1731 515 HOH B O   
3999 O O   . HOH L .   ? 0.3935 0.4428 0.3940 0.0165  -0.0202 -0.0331 516 HOH B O   
4000 O O   . HOH L .   ? 0.3221 0.6307 0.5486 -0.0237 -0.0511 -0.1049 517 HOH B O   
4001 O O   . HOH M .   ? 0.5477 0.5257 0.3676 0.0032  -0.0196 0.0275  401 HOH C O   
4002 O O   . HOH M .   ? 0.5108 0.5760 0.4132 -0.0655 0.1044  0.0912  402 HOH C O   
4003 O O   . HOH M .   ? 0.5992 0.6360 0.3036 0.0945  0.0717  0.0213  403 HOH C O   
4004 O O   . HOH M .   ? 0.2700 0.4066 0.2800 -0.0416 -0.0398 0.0071  404 HOH C O   
4005 O O   . HOH M .   ? 0.4140 0.3495 0.2600 -0.0097 -0.0174 0.0487  405 HOH C O   
4006 O O   . HOH M .   ? 0.4037 0.5675 0.6067 -0.0555 -0.0715 -0.0361 406 HOH C O   
4007 O O   . HOH M .   ? 0.2136 0.4953 0.2917 -0.0413 0.0137  0.0833  407 HOH C O   
4008 O O   . HOH M .   ? 0.2426 0.3333 0.3295 0.0055  0.0103  -0.1322 408 HOH C O   
4009 O O   . HOH M .   ? 0.6575 0.5301 0.6264 -0.0479 -0.1697 0.1500  409 HOH C O   
4010 O O   . HOH M .   ? 0.5486 0.5996 0.3702 -0.0085 -0.0454 -0.0534 410 HOH C O   
4011 O O   . HOH M .   ? 0.3367 0.4328 0.4593 0.0878  0.0572  0.1040  411 HOH C O   
4012 O O   . HOH M .   ? 0.0722 0.2713 0.1131 0.0027  -0.0106 -0.0069 412 HOH C O   
4013 O O   . HOH M .   ? 0.2422 0.4613 0.3266 -0.0605 0.0203  0.0749  413 HOH C O   
4014 O O   . HOH M .   ? 0.3176 0.2827 0.3375 -0.0399 0.0170  0.0653  414 HOH C O   
4015 O O   . HOH M .   ? 0.1921 0.3541 0.2175 0.0246  -0.0340 0.0013  415 HOH C O   
4016 O O   . HOH M .   ? 0.2399 0.5393 0.4477 -0.1473 0.0210  0.1156  416 HOH C O   
4017 O O   . HOH M .   ? 0.2583 0.5239 0.5580 -0.0166 0.0153  0.1223  417 HOH C O   
4018 O O   . HOH M .   ? 0.3421 0.4696 0.6508 0.0456  -0.0307 0.0476  418 HOH C O   
4019 O O   . HOH M .   ? 0.5791 0.5835 0.6085 0.0224  -0.0648 -0.1144 419 HOH C O   
4020 O O   . HOH M .   ? 0.1917 0.4520 0.2940 -0.0868 0.0375  -0.0689 420 HOH C O   
4021 O O   . HOH M .   ? 0.1424 0.1738 0.1309 0.0007  -0.0083 -0.0037 421 HOH C O   
4022 O O   . HOH M .   ? 0.4111 0.5028 0.3480 -0.1896 -0.0226 0.0002  422 HOH C O   
4023 O O   . HOH M .   ? 0.6784 0.6295 0.7091 0.0262  -0.1500 0.1165  423 HOH C O   
4024 O O   . HOH M .   ? 0.2839 0.2999 0.1853 -0.0064 0.0302  0.0298  424 HOH C O   
4025 O O   . HOH M .   ? 0.3838 0.6110 0.5355 0.0260  0.0762  -0.0331 425 HOH C O   
4026 O O   . HOH M .   ? 0.2238 0.3655 0.1702 -0.0118 0.0038  0.0411  426 HOH C O   
4027 O O   . HOH M .   ? 0.2616 0.3818 0.2304 -0.0896 -0.0426 0.0459  427 HOH C O   
4028 O O   . HOH M .   ? 0.1667 0.4350 0.3913 0.0013  -0.0158 -0.0710 428 HOH C O   
4029 O O   . HOH M .   ? 0.5167 0.3845 0.4309 -0.0221 0.0157  -0.0523 429 HOH C O   
4030 O O   . HOH M .   ? 0.1925 0.5786 0.2342 -0.0004 0.0090  0.0144  430 HOH C O   
4031 O O   . HOH M .   ? 0.2829 0.4384 0.5463 0.0547  0.0236  0.1107  431 HOH C O   
4032 O O   . HOH M .   ? 0.4763 0.3620 0.3811 -0.0048 -0.0903 -0.0605 432 HOH C O   
4033 O O   . HOH M .   ? 0.6930 0.5572 0.5334 0.1374  0.0497  -0.0419 433 HOH C O   
4034 O O   . HOH M .   ? 0.2104 0.4811 0.2117 -0.0813 -0.0299 0.0034  434 HOH C O   
4035 O O   . HOH M .   ? 0.0961 0.3241 0.1507 -0.0062 0.0112  0.0055  435 HOH C O   
4036 O O   . HOH M .   ? 0.1253 0.4073 0.1332 0.0042  -0.0059 0.0339  436 HOH C O   
4037 O O   . HOH M .   ? 0.3327 0.5546 0.3559 -0.0404 -0.0383 -0.1900 437 HOH C O   
4038 O O   . HOH M .   ? 0.5145 0.4544 0.4460 0.0452  -0.0514 0.0951  438 HOH C O   
4039 O O   . HOH M .   ? 0.5249 0.4646 0.3989 -0.0260 -0.1745 -0.0918 439 HOH C O   
4040 O O   . HOH M .   ? 0.1710 0.2607 0.3444 -0.0667 0.0918  -0.1647 440 HOH C O   
4041 O O   . HOH M .   ? 0.7086 0.5519 0.4141 0.0100  0.0591  -0.1120 441 HOH C O   
4042 O O   . HOH M .   ? 0.2347 0.3257 0.2429 0.0000  0.0077  -0.0741 442 HOH C O   
4043 O O   . HOH M .   ? 0.2489 0.6042 0.5209 0.0061  0.0445  -0.1461 443 HOH C O   
4044 O O   . HOH M .   ? 0.5372 0.4271 0.3884 -0.0063 -0.0816 -0.1206 444 HOH C O   
4045 O O   . HOH M .   ? 0.4918 0.3752 0.4452 -0.0240 -0.1900 -0.0573 445 HOH C O   
4046 O O   . HOH M .   ? 0.3075 0.5034 0.1919 0.1100  -0.0743 -0.0170 446 HOH C O   
4047 O O   . HOH M .   ? 0.3951 0.3856 0.2674 0.0136  -0.0730 -0.0553 447 HOH C O   
4048 O O   . HOH M .   ? 0.4033 0.6170 0.4059 -0.0037 0.0508  -0.1900 448 HOH C O   
4049 O O   . HOH M .   ? 0.3156 0.3779 0.4937 -0.0196 -0.0484 -0.0366 449 HOH C O   
4050 O O   . HOH M .   ? 0.3523 0.3524 0.3936 -0.0623 -0.0539 -0.0297 450 HOH C O   
4051 O O   . HOH M .   ? 0.2700 0.6098 0.1781 0.0977  0.0118  -0.0612 451 HOH C O   
4052 O O   . HOH M .   ? 0.1466 0.2210 0.1668 0.0508  -0.0196 -0.0367 452 HOH C O   
4053 O O   . HOH M .   ? 0.1951 0.2985 0.1341 0.0149  -0.0207 -0.0006 453 HOH C O   
4054 O O   . HOH M .   ? 0.2878 0.2934 0.3080 -0.0790 0.0103  0.0992  454 HOH C O   
4055 O O   . HOH M .   ? 0.1301 0.3606 0.1678 -0.0479 0.0274  -0.0092 455 HOH C O   
4056 O O   . HOH M .   ? 0.1587 0.3057 0.1273 0.0369  -0.0020 -0.0035 456 HOH C O   
4057 O O   . HOH M .   ? 0.2849 0.4112 0.1931 0.0087  -0.0082 0.0228  457 HOH C O   
4058 O O   . HOH M .   ? 0.4460 0.4580 0.3636 -0.0885 -0.1089 0.0292  458 HOH C O   
4059 O O   . HOH M .   ? 0.3101 0.5002 0.5358 0.0214  0.0203  0.1318  459 HOH C O   
4060 O O   . HOH M .   ? 0.2646 0.4400 0.3202 -0.0527 -0.1036 0.1805  460 HOH C O   
4061 O O   . HOH M .   ? 0.4086 0.5532 0.4694 0.0967  -0.1900 -0.0522 461 HOH C O   
4062 O O   . HOH M .   ? 0.5953 0.5781 0.5675 0.1242  -0.0334 -0.1383 462 HOH C O   
4063 O O   . HOH M .   ? 0.2181 0.6053 0.5234 -0.0981 0.0453  -0.0628 463 HOH C O   
4064 O O   . HOH M .   ? 0.1979 0.2490 0.1538 0.0249  -0.0032 -0.0151 464 HOH C O   
4065 O O   . HOH M .   ? 0.4506 0.3789 0.3333 -0.0133 -0.0319 0.0416  465 HOH C O   
4066 O O   . HOH M .   ? 0.3515 0.5297 0.2483 0.0956  -0.0386 -0.0505 466 HOH C O   
4067 O O   . HOH M .   ? 0.5295 0.3698 0.4662 -0.0372 0.1984  -0.1766 467 HOH C O   
4068 O O   . HOH M .   ? 0.3297 0.3294 0.2067 -0.0314 0.0207  -0.0192 468 HOH C O   
4069 O O   . HOH M .   ? 0.3947 0.4013 0.4663 -0.0180 0.0621  -0.1243 469 HOH C O   
4070 O O   . HOH M .   ? 0.1694 0.6332 0.2675 -0.0187 -0.0179 -0.0423 470 HOH C O   
4071 O O   . HOH M .   ? 0.2727 0.5020 0.1594 -0.0942 0.0522  -0.0505 471 HOH C O   
4072 O O   . HOH M .   ? 0.1541 0.5240 0.2510 -0.0160 -0.0492 -0.0003 472 HOH C O   
4073 O O   . HOH M .   ? 0.4453 0.6520 0.4896 -0.0567 -0.0759 -0.0283 473 HOH C O   
4074 O O   . HOH M .   ? 0.4305 0.3969 0.3563 -0.0810 0.0777  0.1494  474 HOH C O   
4075 O O   . HOH M .   ? 0.4701 0.6232 0.5115 0.1049  0.0840  0.2508  475 HOH C O   
4076 O O   . HOH M .   ? 0.4989 0.5733 0.5272 -0.1050 -0.0807 0.0484  476 HOH C O   
4077 O O   . HOH M .   ? 0.2612 0.3165 0.2363 0.0292  -0.0282 -0.0375 477 HOH C O   
4078 O O   . HOH M .   ? 0.3866 0.4277 0.6485 -0.0427 0.0054  -0.0557 478 HOH C O   
4079 O O   . HOH M .   ? 0.2967 0.3920 0.4693 0.0006  -0.1471 0.0564  479 HOH C O   
4080 O O   . HOH M .   ? 0.4253 0.7199 0.3256 -0.0013 0.1839  0.0319  480 HOH C O   
4081 O O   . HOH M .   ? 0.4956 0.4358 0.3545 -0.0544 0.0606  -0.0056 481 HOH C O   
4082 O O   . HOH M .   ? 0.2207 0.4896 0.2593 0.0027  -0.0997 0.0606  482 HOH C O   
4083 O O   . HOH M .   ? 0.3068 0.5000 0.5853 0.0755  -0.1649 -0.0615 483 HOH C O   
4084 O O   . HOH M .   ? 0.4664 0.7188 0.6791 -0.0721 0.0560  0.0741  484 HOH C O   
4085 O O   . HOH M .   ? 0.3386 0.3693 0.2395 -0.1098 0.0234  -0.0104 485 HOH C O   
4086 O O   . HOH M .   ? 0.3153 0.4198 0.2950 -0.0195 0.0605  -0.0871 486 HOH C O   
4087 O O   . HOH M .   ? 0.3465 0.5250 0.2656 0.2403  0.0062  -0.0264 487 HOH C O   
4088 O O   . HOH M .   ? 0.2614 0.4934 0.4831 0.0724  -0.0791 -0.0236 488 HOH C O   
4089 O O   . HOH M .   ? 0.4268 0.4726 0.3679 -0.1007 0.2202  -0.0779 489 HOH C O   
4090 O O   . HOH M .   ? 0.3501 0.6128 0.6783 -0.1471 -0.0781 -0.0372 490 HOH C O   
4091 O O   . HOH M .   ? 0.5933 0.4939 0.3598 0.2914  -0.0391 -0.0071 491 HOH C O   
4092 O O   . HOH M .   ? 0.4478 0.5193 0.6374 0.0146  -0.0908 0.0461  492 HOH C O   
4093 O O   . HOH M .   ? 0.2455 0.5491 0.5874 0.0017  -0.0673 -0.0065 493 HOH C O   
4094 O O   . HOH M .   ? 0.4228 0.4335 0.6475 0.1145  -0.1861 0.0730  494 HOH C O   
4095 O O   . HOH M .   ? 0.3619 0.5947 0.6078 -0.0701 0.0463  0.0386  495 HOH C O   
4096 O O   . HOH M .   ? 0.4507 0.6289 0.3046 -0.0021 0.0629  0.2137  496 HOH C O   
4097 O O   . HOH M .   ? 0.5304 0.5204 0.4914 -0.0883 -0.1900 0.0807  497 HOH C O   
4098 O O   . HOH M .   ? 0.5561 0.4892 0.5489 -0.1724 0.1803  0.0905  498 HOH C O   
4099 O O   . HOH M .   ? 0.5942 0.5247 0.4225 -0.0274 -0.0422 0.0901  499 HOH C O   
4100 O O   . HOH M .   ? 0.5062 0.2806 0.5061 0.0189  0.0416  -0.1775 500 HOH C O   
4101 O O   . HOH M .   ? 0.4256 0.5553 0.7331 -0.0478 0.0765  -0.0049 501 HOH C O   
4102 O O   . HOH M .   ? 0.5639 0.4335 0.2986 -0.1334 -0.0509 -0.0796 502 HOH C O   
4103 O O   . HOH M .   ? 0.6376 0.3771 0.4533 -0.0810 0.1576  0.1177  503 HOH C O   
4104 O O   . HOH M .   ? 0.3973 0.5290 0.3353 0.1260  0.0372  -0.0078 504 HOH C O   
4105 O O   . HOH M .   ? 0.4343 0.7217 0.5760 -0.0304 -0.1819 0.0636  505 HOH C O   
4106 O O   . HOH M .   ? 0.4998 0.6598 0.5779 -0.1304 -0.1574 0.0642  506 HOH C O   
4107 O O   . HOH M .   ? 0.6680 0.6541 0.4216 -0.0853 -0.0821 -0.0870 507 HOH C O   
4108 O O   . HOH M .   ? 0.6115 0.5246 0.6602 -0.0717 0.0119  0.0384  508 HOH C O   
4109 O O   . HOH M .   ? 0.3754 0.4884 0.4041 -0.1165 -0.0355 0.1079  509 HOH C O   
4110 O O   . HOH M .   ? 0.4020 0.5195 0.3978 -0.0340 -0.1590 -0.0396 510 HOH C O   
4111 O O   . HOH M .   ? 0.4214 0.4727 0.6179 0.1686  0.1932  0.1803  511 HOH C O   
4112 O O   . HOH M .   ? 0.4710 0.4466 0.2627 -0.0789 -0.0692 0.0559  512 HOH C O   
4113 O O   . HOH M .   ? 0.5004 0.4304 0.5207 0.0020  -0.1794 -0.0993 513 HOH C O   
4114 O O   . HOH M .   ? 0.5441 0.5247 0.5400 -0.1194 -0.0330 -0.0405 514 HOH C O   
4115 O O   . HOH M .   ? 0.4330 0.4359 0.5886 0.0612  0.0771  -0.1900 515 HOH C O   
4116 O O   . HOH M .   ? 0.6929 0.5397 0.7100 0.0847  0.0427  0.0159  516 HOH C O   
4117 O O   . HOH M .   ? 0.6734 0.6401 0.5955 0.1703  -0.0824 0.0792  517 HOH C O   
4118 O O   . HOH M .   ? 0.5969 0.6853 0.5370 0.0365  -0.0410 0.1378  518 HOH C O   
4119 O O   . HOH M .   ? 0.4926 0.6964 0.5477 0.0641  0.1965  0.0896  519 HOH C O   
4120 O O   . HOH M .   ? 0.5552 0.6199 0.7440 -0.0836 0.1112  0.1189  520 HOH C O   
4121 O O   . HOH M .   ? 0.5073 0.6160 0.6104 -0.0363 0.0755  -0.0251 521 HOH C O   
4122 O O   . HOH M .   ? 0.5378 0.6776 0.4022 0.0721  -0.0466 -0.0264 522 HOH C O   
4123 O O   . HOH M .   ? 0.6282 0.5278 0.4118 0.0085  -0.1663 -0.0069 523 HOH C O   
4124 O O   . HOH M .   ? 0.3911 0.5071 0.4860 0.0384  0.2169  0.0544  524 HOH C O   
4125 O O   . HOH M .   ? 0.5441 0.4769 0.4009 0.0946  -0.1900 -0.1174 525 HOH C O   
4126 O O   . HOH M .   ? 0.3553 0.6464 0.5006 0.2362  -0.1181 -0.1200 526 HOH C O   
4127 O O   . HOH M .   ? 0.3700 0.6429 0.4500 -0.0611 -0.0226 0.0186  527 HOH C O   
4128 O O   . HOH M .   ? 0.6952 0.5834 0.3479 -0.1141 -0.1757 -0.0674 528 HOH C O   
4129 O O   . HOH M .   ? 0.5365 0.4853 0.6574 -0.1560 0.0712  0.0575  529 HOH C O   
4130 O O   . HOH M .   ? 0.6206 0.3924 0.4406 0.0335  -0.0959 -0.0304 530 HOH C O   
4131 O O   . HOH M .   ? 0.6439 0.4585 0.6461 -0.1400 0.0923  -0.0875 531 HOH C O   
4132 O O   . HOH M .   ? 0.6260 0.5889 0.6662 -0.1112 -0.0883 -0.0736 532 HOH C O   
4133 O O   . HOH M .   ? 0.5826 0.5985 0.6510 -0.0358 -0.0392 -0.0703 533 HOH C O   
4134 O O   . HOH M .   ? 0.5909 0.6254 0.4100 0.1196  0.1646  -0.1226 534 HOH C O   
4135 O O   . HOH M .   ? 0.3440 0.7159 0.5832 -0.0133 -0.1900 -0.0066 535 HOH C O   
4136 O O   . HOH M .   ? 0.4750 0.6838 0.3799 0.0938  0.0210  0.0937  536 HOH C O   
4137 O O   . HOH M .   ? 0.5600 0.4634 0.3836 -0.1269 0.0199  -0.0128 537 HOH C O   
4138 O O   . HOH M .   ? 0.3874 0.5169 0.5240 -0.0587 -0.1007 -0.0225 538 HOH C O   
4139 O O   . HOH M .   ? 0.5631 0.5427 0.6442 0.1018  -0.0211 -0.0616 539 HOH C O   
4140 O O   . HOH M .   ? 0.6310 0.6357 0.4179 0.1692  -0.0435 0.0007  540 HOH C O   
4141 O O   . HOH M .   ? 0.4880 0.5981 0.5650 -0.1070 0.1232  0.2339  541 HOH C O   
4142 O O   . HOH N .   ? 0.6398 0.4220 0.3138 -0.1900 -0.0546 -0.0563 401 HOH D O   
4143 O O   . HOH N .   ? 0.3971 0.5518 0.3319 0.0782  0.0507  0.1785  402 HOH D O   
4144 O O   . HOH N .   ? 0.3176 0.5785 0.3740 -0.0408 -0.1686 0.0573  403 HOH D O   
4145 O O   . HOH N .   ? 0.5448 0.6001 0.4696 -0.1268 -0.0894 0.0397  404 HOH D O   
4146 O O   . HOH N .   ? 0.5544 0.5738 0.6095 0.2385  0.0523  0.0035  405 HOH D O   
4147 O O   . HOH N .   ? 0.2076 0.5351 0.2289 0.0214  0.0499  0.0994  406 HOH D O   
4148 O O   . HOH N .   ? 0.3245 0.6433 0.3343 -0.0976 -0.0233 -0.0801 407 HOH D O   
4149 O O   . HOH N .   ? 0.6892 0.5773 0.5405 0.1378  -0.0754 -0.0958 408 HOH D O   
4150 O O   . HOH N .   ? 0.2506 0.5334 0.2399 0.0727  -0.0946 0.0094  409 HOH D O   
4151 O O   . HOH N .   ? 0.1239 0.1990 0.1186 0.0012  0.0050  -0.0034 410 HOH D O   
4152 O O   . HOH N .   ? 0.3519 0.4541 0.2367 0.1026  -0.0363 0.0496  411 HOH D O   
4153 O O   . HOH N .   ? 0.1577 0.2609 0.1236 0.0218  -0.0094 -0.0710 412 HOH D O   
4154 O O   . HOH N .   ? 0.2219 0.2874 0.1087 0.0347  0.0638  0.0198  413 HOH D O   
4155 O O   . HOH N .   ? 0.2850 0.4232 0.1513 -0.0530 -0.0068 -0.0151 414 HOH D O   
4156 O O   . HOH N .   ? 0.3993 0.6061 0.3581 0.0803  -0.1900 -0.0443 415 HOH D O   
4157 O O   . HOH N .   ? 0.4978 0.3965 0.3878 0.0988  -0.1900 -0.0343 416 HOH D O   
4158 O O   . HOH N .   ? 0.1530 0.3421 0.1590 -0.0255 -0.0146 -0.0183 417 HOH D O   
4159 O O   . HOH N .   ? 0.5247 0.7481 0.6281 -0.0435 0.1900  0.0430  418 HOH D O   
4160 O O   . HOH N .   ? 0.4179 0.7162 0.2687 -0.0878 -0.1174 0.1143  419 HOH D O   
4161 O O   . HOH N .   ? 0.2252 0.3286 0.2076 -0.0468 -0.0139 -0.0495 420 HOH D O   
4162 O O   . HOH N .   ? 0.3880 0.4960 0.5905 0.0792  0.2121  0.1401  421 HOH D O   
4163 O O   . HOH N .   ? 0.3456 0.6455 0.2075 -0.1216 -0.0622 -0.0213 422 HOH D O   
4164 O O   . HOH N .   ? 0.2778 0.2745 0.2646 0.0639  0.0983  0.0494  423 HOH D O   
4165 O O   . HOH N .   ? 0.3030 0.6650 0.4354 -0.0404 -0.1556 0.1535  424 HOH D O   
4166 O O   . HOH N .   ? 0.2066 0.3745 0.2703 0.0492  0.0247  -0.0168 425 HOH D O   
4167 O O   . HOH N .   ? 0.3872 0.4500 0.7302 0.0910  0.2040  -0.0722 426 HOH D O   
4168 O O   . HOH N .   ? 0.0949 0.2579 0.1780 0.0129  -0.0323 0.0219  427 HOH D O   
4169 O O   . HOH N .   ? 0.2474 0.5256 0.6007 0.0891  -0.1479 -0.0056 428 HOH D O   
4170 O O   . HOH N .   ? 0.4050 0.7680 0.6078 0.2453  -0.1551 0.0029  429 HOH D O   
4171 O O   . HOH N .   ? 0.4247 0.3633 0.4052 0.0229  -0.1900 0.0215  430 HOH D O   
4172 O O   . HOH N .   ? 0.2649 0.5051 0.3885 -0.0544 0.0101  0.0300  431 HOH D O   
4173 O O   . HOH N .   ? 0.2126 0.2636 0.2131 0.0208  -0.0036 -0.0041 432 HOH D O   
4174 O O   . HOH N .   ? 0.2707 0.3705 0.1351 0.1520  -0.0339 -0.0508 433 HOH D O   
4175 O O   . HOH N .   ? 0.3032 0.5249 0.6192 0.1586  -0.1110 -0.0751 434 HOH D O   
4176 O O   . HOH N .   ? 0.2820 0.4905 0.1742 -0.0517 0.0403  0.0019  435 HOH D O   
4177 O O   . HOH N .   ? 0.3720 0.5253 0.6545 -0.1297 -0.0502 -0.0144 436 HOH D O   
4178 O O   . HOH N .   ? 0.3960 0.6398 0.4533 0.1865  -0.0750 0.0337  437 HOH D O   
4179 O O   . HOH N .   ? 0.2648 0.3771 0.3984 -0.0098 0.0686  -0.1015 438 HOH D O   
4180 O O   . HOH N .   ? 0.2747 0.3298 0.1634 -0.0249 -0.0067 -0.0146 439 HOH D O   
4181 O O   . HOH N .   ? 0.5196 0.6276 0.7006 -0.0009 -0.1245 0.0492  440 HOH D O   
4182 O O   . HOH N .   ? 0.5217 0.3723 0.3498 0.0745  -0.1680 -0.1647 441 HOH D O   
4183 O O   . HOH N .   ? 0.2454 0.3397 0.3019 0.0355  0.0320  -0.0333 442 HOH D O   
4184 O O   . HOH N .   ? 0.2663 0.5924 0.2047 -0.0682 0.0351  -0.0089 443 HOH D O   
4185 O O   . HOH N .   ? 0.7231 0.3572 0.2349 0.1579  -0.1226 -0.0220 444 HOH D O   
4186 O O   . HOH N .   ? 0.1872 0.2685 0.1299 0.0539  0.0008  -0.0403 445 HOH D O   
4187 O O   . HOH N .   ? 0.1164 0.3798 0.1384 0.0475  0.0081  -0.0413 446 HOH D O   
4188 O O   . HOH N .   ? 0.1560 0.2511 0.2002 0.0223  -0.0177 0.0356  447 HOH D O   
4189 O O   . HOH N .   ? 0.3261 0.4344 0.5162 -0.0635 0.0120  0.2092  448 HOH D O   
4190 O O   . HOH N .   ? 0.4430 0.5612 0.4772 0.1198  0.2519  0.1213  449 HOH D O   
4191 O O   . HOH N .   ? 0.3813 0.4978 0.6283 0.0125  -0.1187 0.2080  450 HOH D O   
4192 O O   . HOH N .   ? 0.7199 0.5252 0.4935 -0.0085 0.1828  0.0513  451 HOH D O   
4193 O O   . HOH N .   ? 0.2222 0.4517 0.2045 -0.0145 -0.0555 0.0535  452 HOH D O   
4194 O O   . HOH N .   ? 0.6930 0.3359 0.2509 -0.0415 -0.0791 0.0139  453 HOH D O   
4195 O O   . HOH N .   ? 0.1549 0.3316 0.1558 0.0153  0.0050  -0.0326 454 HOH D O   
4196 O O   . HOH N .   ? 0.5043 0.5026 0.5566 0.1045  0.0610  0.0862  455 HOH D O   
4197 O O   . HOH N .   ? 0.6219 0.4455 0.2485 -0.0328 -0.0890 0.0840  456 HOH D O   
4198 O O   . HOH N .   ? 0.2381 0.4443 0.2229 -0.0011 -0.0342 -0.0149 457 HOH D O   
4199 O O   . HOH N .   ? 0.1733 0.3430 0.1363 0.0126  0.0259  -0.0462 458 HOH D O   
4200 O O   . HOH N .   ? 0.3717 0.3831 0.1626 0.0544  0.0125  0.0541  459 HOH D O   
4201 O O   . HOH N .   ? 0.2036 0.7345 0.3112 -0.0492 -0.0405 0.0528  460 HOH D O   
4202 O O   . HOH N .   ? 0.4532 0.5241 0.2646 0.2342  -0.1082 -0.1462 461 HOH D O   
4203 O O   . HOH N .   ? 0.3117 0.6139 0.5219 -0.0715 0.1731  -0.0881 462 HOH D O   
4204 O O   . HOH N .   ? 0.6018 0.5688 0.3749 0.0058  0.0219  -0.1900 463 HOH D O   
4205 O O   . HOH N .   ? 0.7117 0.5717 0.3256 -0.0420 -0.1900 0.0372  464 HOH D O   
4206 O O   . HOH N .   ? 0.2769 0.3680 0.2424 -0.0712 0.0201  0.0585  465 HOH D O   
4207 O O   . HOH N .   ? 0.4290 0.6040 0.2158 -0.0197 -0.0118 -0.0896 466 HOH D O   
4208 O O   . HOH N .   ? 0.2408 0.2765 0.4042 0.0401  -0.0391 -0.0797 467 HOH D O   
4209 O O   . HOH N .   ? 0.5096 0.3092 0.1729 0.1359  -0.0377 0.0360  468 HOH D O   
4210 O O   . HOH N .   ? 0.4846 0.6083 0.3247 0.0843  0.1188  0.0573  469 HOH D O   
4211 O O   . HOH N .   ? 0.1910 0.3458 0.2580 -0.0493 -0.0321 0.0343  470 HOH D O   
4212 O O   . HOH N .   ? 0.4158 0.3951 0.3861 -0.0041 -0.0620 0.0487  471 HOH D O   
4213 O O   . HOH N .   ? 0.4061 0.6596 0.4704 0.0766  -0.1893 -0.1082 472 HOH D O   
4214 O O   . HOH N .   ? 0.1991 0.4264 0.1890 -0.0019 0.0114  -0.0654 473 HOH D O   
4215 O O   . HOH N .   ? 0.2772 0.5747 0.2038 0.0851  -0.0294 0.0003  474 HOH D O   
4216 O O   . HOH N .   ? 0.1728 0.5576 0.4423 0.0006  -0.0913 0.0321  475 HOH D O   
4217 O O   . HOH N .   ? 0.4817 0.6384 0.6862 0.1041  -0.1705 -0.1041 476 HOH D O   
4218 O O   . HOH N .   ? 0.3744 0.5007 0.4642 0.0201  -0.1344 -0.0179 477 HOH D O   
4219 O O   . HOH N .   ? 0.2619 0.4035 0.6837 0.0906  0.1410  0.0443  478 HOH D O   
4220 O O   . HOH N .   ? 0.2955 0.5056 0.1883 -0.0115 -0.0383 -0.0370 479 HOH D O   
4221 O O   . HOH N .   ? 0.3449 0.6879 0.3943 0.1169  -0.0922 -0.0551 480 HOH D O   
4222 O O   . HOH N .   ? 0.5004 0.7219 0.3579 -0.0977 -0.0412 0.1011  481 HOH D O   
4223 O O   . HOH N .   ? 0.4388 0.5752 0.5024 -0.0745 0.0585  0.1177  482 HOH D O   
4224 O O   . HOH N .   ? 0.6715 0.6666 0.4323 0.1767  0.2264  -0.0434 483 HOH D O   
4225 O O   . HOH N .   ? 0.4492 0.6551 0.5614 -0.0415 -0.1773 -0.1805 484 HOH D O   
4226 O O   . HOH N .   ? 0.3370 0.4620 0.5168 0.1010  0.2027  0.1292  485 HOH D O   
4227 O O   . HOH N .   ? 0.6173 0.5749 0.7440 0.1707  -0.0593 0.1867  486 HOH D O   
4228 O O   . HOH N .   ? 0.4655 0.4873 0.6626 0.0585  0.1160  0.2384  487 HOH D O   
4229 O O   . HOH N .   ? 0.2986 0.6890 0.6292 -0.0523 -0.1665 -0.1013 488 HOH D O   
4230 O O   . HOH N .   ? 0.4715 0.5861 0.3526 -0.0272 -0.0634 -0.0285 489 HOH D O   
4231 O O   . HOH N .   ? 0.2298 0.3947 0.2112 0.0557  -0.0167 -0.0305 490 HOH D O   
4232 O O   . HOH N .   ? 0.6031 0.4957 0.5847 -0.0618 0.0461  -0.1847 491 HOH D O   
4233 O O   . HOH N .   ? 0.2445 0.5846 0.4015 0.0588  0.1454  -0.0084 492 HOH D O   
4234 O O   . HOH N .   ? 0.3534 0.3461 0.3811 0.0675  0.1228  0.1306  493 HOH D O   
4235 O O   . HOH N .   ? 0.5189 0.6954 0.5195 0.1250  0.0618  0.1622  494 HOH D O   
4236 O O   . HOH N .   ? 0.4709 0.5510 0.5396 -0.1367 -0.1900 0.0178  495 HOH D O   
4237 O O   . HOH N .   ? 0.7766 0.6707 0.6271 -0.0556 0.0790  0.0452  496 HOH D O   
4238 O O   . HOH N .   ? 0.8596 0.6336 0.6777 0.1772  0.0704  0.0765  497 HOH D O   
4239 O O   . HOH N .   ? 0.4727 0.5216 0.6947 0.0531  0.0867  -0.1067 498 HOH D O   
4240 O O   . HOH N .   ? 0.6385 0.4759 0.5250 -0.0578 0.0505  0.1543  499 HOH D O   
4241 O O   . HOH N .   ? 0.6558 0.6382 0.3645 0.1115  0.2405  0.0527  500 HOH D O   
4242 O O   . HOH N .   ? 0.6335 0.4485 0.4438 -0.0714 0.1114  0.1240  501 HOH D O   
4243 O O   . HOH N .   ? 0.4981 0.5173 0.5013 -0.0911 0.2319  -0.1203 502 HOH D O   
4244 O O   . HOH N .   ? 0.5468 0.6361 0.6362 0.1985  0.2125  -0.0904 503 HOH D O   
4245 O O   . HOH N .   ? 0.6103 0.5569 0.4888 0.1709  -0.0819 0.0004  504 HOH D O   
4246 O O   . HOH N .   ? 0.5182 0.5732 0.5797 0.0272  0.2074  -0.1402 505 HOH D O   
4247 O O   . HOH N .   ? 0.4508 0.5647 0.6664 0.0168  -0.1356 -0.1620 506 HOH D O   
4248 O O   . HOH N .   ? 0.6097 0.5351 0.3156 -0.0445 -0.0682 0.1086  507 HOH D O   
4249 O O   . HOH N .   ? 0.5025 0.4479 0.5799 0.1974  0.2532  0.0751  508 HOH D O   
4250 O O   . HOH N .   ? 0.3185 0.6614 0.2085 0.0418  0.0129  -0.0374 509 HOH D O   
4251 O O   . HOH N .   ? 0.4341 0.4886 0.7135 0.0456  0.0344  -0.0113 510 HOH D O   
4252 O O   . HOH N .   ? 0.4884 0.6449 0.4316 0.0492  0.1106  -0.0609 511 HOH D O   
4253 O O   . HOH N .   ? 0.6503 0.4829 0.4867 0.0745  0.1832  0.2338  512 HOH D O   
4254 O O   . HOH N .   ? 0.5786 0.5186 0.3059 0.0530  -0.1631 -0.0003 513 HOH D O   
4255 O O   . HOH N .   ? 0.4998 0.4661 0.6557 0.0048  -0.0492 -0.0526 514 HOH D O   
4256 O O   . HOH N .   ? 0.2233 0.6900 0.3452 0.0924  -0.0034 -0.1755 515 HOH D O   
4257 O O   . HOH N .   ? 0.6361 0.7164 0.8230 0.2518  -0.0769 -0.0096 516 HOH D O   
4258 O O   . HOH N .   ? 0.2737 0.6579 0.5429 0.0720  -0.1089 0.0415  517 HOH D O   
4259 O O   . HOH N .   ? 0.6005 0.6463 0.5290 -0.0375 -0.1653 -0.1644 518 HOH D O   
4260 O O   . HOH N .   ? 0.7353 0.5329 0.7236 0.0388  0.0656  -0.1234 519 HOH D O   
4261 O O   . HOH N .   ? 0.4037 0.5892 0.5797 0.1508  0.1839  -0.0425 520 HOH D O   
4262 O O   . HOH N .   ? 0.7225 0.6004 0.6725 -0.0856 -0.0919 0.0734  521 HOH D O   
4263 O O   . HOH N .   ? 0.5678 0.6306 0.5500 -0.0611 -0.0464 -0.1154 522 HOH D O   
4264 O O   . HOH N .   ? 0.4211 0.6034 0.5518 0.0183  0.0374  0.0705  523 HOH D O   
4265 O O   . HOH N .   ? 0.4923 0.7185 0.6007 -0.0884 0.1085  0.0573  524 HOH D O   
4266 O O   . HOH N .   ? 0.6537 0.6841 0.6162 -0.0630 -0.1030 -0.0311 525 HOH D O   
4267 O O   . HOH N .   ? 0.6616 0.5739 0.6650 0.0335  -0.1443 -0.0370 526 HOH D O   
4268 O O   . HOH N .   ? 0.6134 0.6413 0.6330 0.1908  0.1663  -0.1772 527 HOH D O   
4269 O O   . HOH N .   ? 0.5280 0.5537 0.6874 0.0576  -0.0290 -0.0899 528 HOH D O   
# 
