# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_harsh-cartoon
#
_entry.id harsh-cartoon
#
loop_
_atom_type.symbol
C 
N 
O 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
? ? LIG_A ? ? CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O ? non-polymer 
? ? LIG_B ? ? CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O ? non-polymer 
? ? LIG_C ? ? CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O ? non-polymer 
? ? LIG_D ? ? CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O ? non-polymer 
? ? LIG_E ? ? CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O ? non-polymer 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . non-polymer 
2 . non-polymer 
3 . non-polymer 
4 . non-polymer 
5 . non-polymer 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-06-14 14:57:55)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 19.52
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
loop_
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
_ma_qa_metric_local.model_id
_ma_qa_metric_local.ordinal_id
A LIG_A . 2 18.60 1 1 
B LIG_B . 2 20.22 1 2 
C LIG_C . 2 19.80 1 3 
D LIG_D . 2 18.81 1 4 
E LIG_E . 2 20.15 1 5 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
loop_
_ma_target_entity.data_id
_ma_target_entity.entity_id
_ma_target_entity.origin
1 1 . 
1 2 . 
1 3 . 
1 4 . 
1 5 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A . 1 
B . 2 
C . 3 
D . 4 
E . 5 
#
loop_
_pdbx_data_usage.details
_pdbx_data_usage.id
_pdbx_data_usage.type
_pdbx_data_usage.url
;Non-commercial use only, by using this file you agree to the terms of use found
at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
To request access to the AlphaFold 3 model parameters, follow the process set
out at https://github.com/google-deepmind/alphafold3. You may only use these if
received directly from Google. Use is subject to terms of use available at
https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
;
1 license    https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md 
;AlphaFold 3 and its output are not intended for, have not been validated for,
and are not approved for clinical use. They are provided "as-is" without any
warranty of any kind, whether expressed or implied. No warranty is given that
use shall not infringe the rights of any third party.
;
2 disclaimer ?                                                                              
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.pdb_ins_code
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.pdb_strand_id
A 1 1 LIG_A . 1 A 
B 1 2 LIG_B . 1 B 
C 1 3 LIG_C . 1 C 
D 1 4 LIG_D . 1 D 
E 1 5 LIG_E . 1 E 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1 A 
2 B 
3 C 
4 D 
5 E 
#
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.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
HETATM 1   C C1  . LIG_A A 1 . ? 9.709   7.130   -3.667 1.00 24.18 1 A 1 
HETATM 2   C C2  . LIG_A A 1 . ? 8.883   7.733   -4.759 1.00 19.63 1 A 1 
HETATM 3   C C3  . LIG_A A 1 . ? 7.596   8.309   -4.251 1.00 16.39 1 A 1 
HETATM 4   C C4  . LIG_A A 1 . ? 7.873   9.535   -3.376 1.00 21.46 1 A 1 
HETATM 5   C C5  . LIG_A A 1 . ? 6.761   7.256   -3.491 1.00 17.94 1 A 1 
HETATM 6   C C6  . LIG_A A 1 . ? 5.513   7.921   -2.934 1.00 14.15 1 A 1 
HETATM 7   O O1  . LIG_A A 1 . ? 4.536   8.183   -3.637 1.00 17.46 1 A 1 
HETATM 8   N N1  . LIG_A A 1 . ? 5.523   8.166   -1.609 1.00 17.18 1 A 1 
HETATM 9   C C7  . LIG_A A 1 . ? 4.343   8.619   -0.910 1.00 20.66 1 A 1 
HETATM 10  C C8  . LIG_A A 1 . ? 3.773   7.601   0.020  1.00 18.24 1 A 1 
HETATM 11  O O2  . LIG_A A 1 . ? 3.221   7.886   1.057  1.00 18.68 1 A 1 
HETATM 12  N N2  . LIG_A A 1 . ? 3.923   6.340   -0.390 1.00 16.44 1 A 1 
HETATM 13  C C9  . LIG_A A 1 . ? 3.494   5.242   0.439  1.00 16.30 1 A 1 
HETATM 14  C C10 . LIG_A A 1 . ? 2.237   4.602   -0.103 1.00 22.03 1 A 1 
HETATM 15  S S1  . LIG_A A 1 . ? 2.010   4.463   -1.839 1.00 19.43 1 A 1 
HETATM 16  O O3  . LIG_A A 1 . ? 1.557   5.784   -2.390 1.00 22.97 1 A 1 
HETATM 17  C C11 . LIG_A A 1 . ? 0.665   3.409   -2.157 1.00 17.23 1 A 1 
HETATM 18  C C12 . LIG_A A 1 . ? 0.910   2.082   -2.548 1.00 15.11 1 A 1 
HETATM 19  C C13 . LIG_A A 1 . ? 2.203   1.575   -2.694 1.00 16.73 1 A 1 
HETATM 20  C C14 . LIG_A A 1 . ? 2.803   1.491   -4.090 1.00 12.85 1 A 1 
HETATM 21  C C15 . LIG_A A 1 . ? 3.403   2.743   -4.605 1.00 16.94 1 A 1 
HETATM 22  O O4  . LIG_A A 1 . ? 2.760   3.527   -5.288 1.00 18.17 1 A 1 
HETATM 23  N N3  . LIG_A A 1 . ? 4.729   2.947   -4.314 1.00 15.71 1 A 1 
HETATM 24  C C16 . LIG_A A 1 . ? 5.461   4.054   -4.836 1.00 22.01 1 A 1 
HETATM 25  C C17 . LIG_A A 1 . ? 5.649   5.135   -3.848 1.00 18.86 1 A 1 
HETATM 26  O O5  . LIG_A A 1 . ? 5.239   5.078   -2.724 1.00 19.42 1 A 1 
HETATM 27  N N4  . LIG_A A 1 . ? 6.347   6.196   -4.344 1.00 18.75 1 A 1 
HETATM 28  N N5  . LIG_A A 1 . ? 3.821   0.463   -3.938 1.00 12.12 1 A 1 
HETATM 29  C C18 . LIG_A A 1 . ? 4.039   -0.423  -4.860 1.00 13.44 1 A 1 
HETATM 30  O O6  . LIG_A A 1 . ? 3.311   -0.469  -5.844 1.00 14.98 1 A 1 
HETATM 31  C C19 . LIG_A A 1 . ? 5.235   -1.313  -4.627 1.00 14.09 1 A 1 
HETATM 32  N N6  . LIG_A A 1 . ? 5.443   -1.440  -3.166 1.00 13.13 1 A 1 
HETATM 33  C C20 . LIG_A A 1 . ? 6.541   -0.880  -2.483 1.00 14.92 1 A 1 
HETATM 34  O O7  . LIG_A A 1 . ? 7.475   -0.347  -3.084 1.00 15.81 1 A 1 
HETATM 35  C C21 . LIG_A A 1 . ? 6.480   -0.885  -0.966 1.00 16.65 1 A 1 
HETATM 36  C C22 . LIG_A A 1 . ? 7.364   -1.918  -0.405 1.00 22.96 1 A 1 
HETATM 37  C C23 . LIG_A A 1 . ? 8.013   -1.235  0.761  1.00 20.03 1 A 1 
HETATM 38  C C24 . LIG_A A 1 . ? 7.996   0.263   0.465  1.00 21.39 1 A 1 
HETATM 39  N N7  . LIG_A A 1 . ? 6.933   0.455   -0.429 1.00 17.58 1 A 1 
HETATM 40  C C25 . LIG_A A 1 . ? 6.314   1.692   -0.821 1.00 14.82 1 A 1 
HETATM 41  O O8  . LIG_A A 1 . ? 5.410   1.637   -1.693 1.00 14.01 1 A 1 
HETATM 42  C C26 . LIG_A A 1 . ? 6.736   3.029   -0.225 1.00 16.25 1 A 1 
HETATM 43  N N8  . LIG_A A 1 . ? 5.593   3.964   -0.305 1.00 14.88 1 A 1 
HETATM 44  C C27 . LIG_A A 1 . ? 4.608   4.187   0.662  1.00 17.03 1 A 1 
HETATM 45  O O9  . LIG_A A 1 . ? 4.693   3.502   1.635  1.00 21.46 1 A 1 
HETATM 46  C C28 . LIG_A A 1 . ? 7.926   3.513   -1.017 1.00 20.87 1 A 1 
HETATM 47  C C29 . LIG_A A 1 . ? 8.535   4.770   -0.515 1.00 21.34 1 A 1 
HETATM 48  O O10 . LIG_A A 1 . ? 7.888   5.633   0.022  1.00 29.54 1 A 1 
HETATM 49  N N9  . LIG_A A 1 . ? 9.875   4.885   -0.714 1.00 29.53 1 A 1 
HETATM 50  O O11 . LIG_A A 1 . ? 7.220   -1.483  1.905  1.00 20.13 1 A 1 
HETATM 51  C C30 . LIG_A A 1 . ? 5.008   -2.575  -5.418 1.00 20.42 1 A 1 
HETATM 52  C C31 . LIG_A A 1 . ? 5.379   -2.257  -6.884 1.00 22.89 1 A 1 
HETATM 53  C C32 . LIG_A A 1 . ? 5.777   -3.741  -4.964 1.00 19.84 1 A 1 
HETATM 54  C C33 . LIG_A A 1 . ? 5.576   -4.875  -5.944 1.00 19.56 1 A 1 
HETATM 55  O O12 . LIG_A A 1 . ? 5.914   -6.075  -5.303 1.00 25.34 1 A 1 
HETATM 56  O O13 . LIG_A A 1 . ? 7.135   -3.412  -4.854 1.00 24.00 1 A 1 
HETATM 57  C C34 . LIG_A A 1 . ? -0.297  1.413   -2.651 1.00 17.62 1 A 1 
HETATM 58  C C35 . LIG_A A 1 . ? -1.291  2.331   -2.341 1.00 19.10 1 A 1 
HETATM 59  N N10 . LIG_A A 1 . ? -0.665  3.575   -2.044 1.00 20.51 1 A 1 
HETATM 60  C C36 . LIG_A A 1 . ? -2.615  1.937   -2.357 1.00 20.63 1 A 1 
HETATM 61  C C37 . LIG_A A 1 . ? -2.913  0.594   -2.688 1.00 17.01 1 A 1 
HETATM 62  C C38 . LIG_A A 1 . ? -1.874  -0.309  -2.982 1.00 19.25 1 A 1 
HETATM 63  C C39 . LIG_A A 1 . ? -0.532  0.081   -2.979 1.00 16.27 1 A 1 
HETATM 64  O O14 . LIG_A A 1 . ? -4.186  0.187   -2.698 1.00 15.82 1 A 1 
HETATM 65  C C1  . LIG_B B 2 . ? -8.065  11.775  -6.883 1.00 24.00 1 B 1 
HETATM 66  C C2  . LIG_B B 2 . ? -8.703  10.873  -7.894 1.00 21.39 1 B 1 
HETATM 67  C C3  . LIG_B B 2 . ? -9.246  9.618   -7.290 1.00 16.37 1 B 1 
HETATM 68  C C4  . LIG_B B 2 . ? -10.371 9.927   -6.291 1.00 22.80 1 B 1 
HETATM 69  C C5  . LIG_B B 2 . ? -8.135  8.779   -6.618 1.00 17.77 1 B 1 
HETATM 70  C C6  . LIG_B B 2 . ? -8.727  7.482   -6.086 1.00 15.06 1 B 1 
HETATM 71  O O1  . LIG_B B 2 . ? -9.020  6.544   -6.827 1.00 19.69 1 B 1 
HETATM 72  N N1  . LIG_B B 2 . ? -8.854  7.381   -4.758 1.00 18.76 1 B 1 
HETATM 73  C C7  . LIG_B B 2 . ? -9.217  6.118   -4.096 1.00 22.56 1 B 1 
HETATM 74  C C8  . LIG_B B 2 . ? -8.144  5.626   -3.179 1.00 19.41 1 B 1 
HETATM 75  O O2  . LIG_B B 2 . ? -8.380  5.289   -2.047 1.00 24.17 1 B 1 
HETATM 76  N N2  . LIG_B B 2 . ? -6.915  5.610   -3.690 1.00 18.61 1 B 1 
HETATM 77  C C9  . LIG_B B 2 . ? -5.788  5.210   -2.887 1.00 18.54 1 B 1 
HETATM 78  C C10 . LIG_B B 2 . ? -5.031  4.006   -3.457 1.00 24.20 1 B 1 
HETATM 79  S S1  . LIG_B B 2 . ? -5.004  3.744   -5.121 1.00 23.56 1 B 1 
HETATM 80  O O3  . LIG_B B 2 . ? -6.263  2.952   -5.268 1.00 25.62 1 B 1 
HETATM 81  C C11 . LIG_B B 2 . ? -3.707  2.652   -5.746 1.00 18.94 1 B 1 
HETATM 82  C C12 . LIG_B B 2 . ? -2.499  3.192   -6.069 1.00 16.22 1 B 1 
HETATM 83  C C13 . LIG_B B 2 . ? -2.350  4.497   -6.024 1.00 18.61 1 B 1 
HETATM 84  C C14 . LIG_B B 2 . ? -2.262  5.150   -7.420 1.00 14.55 1 B 1 
HETATM 85  C C15 . LIG_B B 2 . ? -3.549  5.675   -7.912 1.00 16.71 1 B 1 
HETATM 86  O O4  . LIG_B B 2 . ? -4.295  4.994   -8.593 1.00 17.90 1 B 1 
HETATM 87  N N3  . LIG_B B 2 . ? -3.819  6.949   -7.598 1.00 15.49 1 B 1 
HETATM 88  C C16 . LIG_B B 2 . ? -4.967  7.615   -8.100 1.00 20.88 1 B 1 
HETATM 89  C C17 . LIG_B B 2 . ? -6.031  7.715   -7.089 1.00 18.57 1 B 1 
HETATM 90  O O5  . LIG_B B 2 . ? -5.948  7.222   -5.992 1.00 20.19 1 B 1 
HETATM 91  N N4  . LIG_B B 2 . ? -7.102  8.418   -7.524 1.00 16.35 1 B 1 
HETATM 92  N N5  . LIG_B B 2 . ? -1.279  6.146   -7.184 1.00 13.82 1 B 1 
HETATM 93  C C18 . LIG_B B 2 . ? -0.358  6.407   -8.046 1.00 15.07 1 B 1 
HETATM 94  O O6  . LIG_B B 2 . ? -0.232  5.753   -9.068 1.00 18.20 1 B 1 
HETATM 95  C C19 . LIG_B B 2 . ? 0.484   7.588   -7.655 1.00 15.20 1 B 1 
HETATM 96  N N6  . LIG_B B 2 . ? 0.574   7.586   -6.199 1.00 14.65 1 B 1 
HETATM 97  C C20 . LIG_B B 2 . ? 0.030   8.578   -5.440 1.00 17.36 1 B 1 
HETATM 98  O O7  . LIG_B B 2 . ? -0.493  9.588   -5.915 1.00 16.87 1 B 1 
HETATM 99  C C21 . LIG_B B 2 . ? 0.015   8.329   -3.958 1.00 17.91 1 B 1 
HETATM 100 C C22 . LIG_B B 2 . ? 1.029   9.137   -3.254 1.00 24.33 1 B 1 
HETATM 101 C C23 . LIG_B B 2 . ? 0.318   9.557   -2.007 1.00 22.64 1 B 1 
HETATM 102 C C24 . LIG_B B 2 . ? -1.154  9.627   -2.368 1.00 22.48 1 B 1 
HETATM 103 N N7  . LIG_B B 2 . ? -1.323  8.732   -3.423 1.00 19.27 1 B 1 
HETATM 104 C C25 . LIG_B B 2 . ? -2.533  8.197   -3.961 1.00 16.69 1 B 1 
HETATM 105 O O8  . LIG_B B 2 . ? -2.471  7.427   -4.951 1.00 14.95 1 B 1 
HETATM 106 C C26 . LIG_B B 2 . ? -3.856  8.552   -3.359 1.00 17.92 1 B 1 
HETATM 107 N N8  . LIG_B B 2 . ? -4.767  7.409   -3.471 1.00 17.08 1 B 1 
HETATM 108 C C27 . LIG_B B 2 . ? -4.756  6.292   -2.693 1.00 19.62 1 B 1 
HETATM 109 O O9  . LIG_B B 2 . ? -3.882  6.200   -1.875 1.00 24.77 1 B 1 
HETATM 110 C C28 . LIG_B B 2 . ? -4.343  9.761   -4.113 1.00 22.42 1 B 1 
HETATM 111 C C29 . LIG_B B 2 . ? -5.568  10.356  -3.555 1.00 24.09 1 B 1 
HETATM 112 O O10 . LIG_B B 2 . ? -6.152  9.866   -2.622 1.00 33.78 1 B 1 
HETATM 113 N N9  . LIG_B B 2 . ? -5.984  11.503  -4.154 1.00 35.20 1 B 1 
HETATM 114 O O11 . LIG_B B 2 . ? 0.521   8.557   -1.030 1.00 20.69 1 B 1 
HETATM 115 C C30 . LIG_B B 2 . ? 1.831   7.562   -8.329 1.00 22.34 1 B 1 
HETATM 116 C C31 . LIG_B B 2 . ? 1.665   8.133   -9.738 1.00 24.72 1 B 1 
HETATM 117 C C32 . LIG_B B 2 . ? 2.866   8.324   -7.563 1.00 22.87 1 B 1 
HETATM 118 C C33 . LIG_B B 2 . ? 4.157   8.333   -8.332 1.00 21.04 1 B 1 
HETATM 119 O O12 . LIG_B B 2 . ? 5.114   8.990   -7.533 1.00 25.01 1 B 1 
HETATM 120 O O13 . LIG_B B 2 . ? 2.424   9.630   -7.334 1.00 24.59 1 B 1 
HETATM 121 C C34 . LIG_B B 2 . ? -1.569  2.246   -6.431 1.00 18.67 1 B 1 
HETATM 122 C C35 . LIG_B B 2 . ? -2.224  1.041   -6.419 1.00 21.52 1 B 1 
HETATM 123 N N10 . LIG_B B 2 . ? -3.553  1.314   -6.008 1.00 22.67 1 B 1 
HETATM 124 C C36 . LIG_B B 2 . ? -1.526  -0.112  -6.773 1.00 22.13 1 B 1 
HETATM 125 C C37 . LIG_B B 2 . ? -0.156  -0.012  -7.137 1.00 19.76 1 B 1 
HETATM 126 C C38 . LIG_B B 2 . ? 0.480   1.266   -7.114 1.00 21.49 1 B 1 
HETATM 127 C C39 . LIG_B B 2 . ? -0.214  2.419   -6.764 1.00 18.28 1 B 1 
HETATM 128 O O14 . LIG_B B 2 . ? 0.547   -1.091  -7.483 1.00 16.99 1 B 1 
HETATM 129 C C1  . LIG_C C 3 . ? 5.463   -9.966  7.393  1.00 23.58 1 C 1 
HETATM 130 C C2  . LIG_C C 3 . ? 4.481   -9.794  8.514  1.00 19.21 1 C 1 
HETATM 131 C C3  . LIG_C C 3 . ? 4.358   -8.368  8.987  1.00 14.58 1 C 1 
HETATM 132 C C4  . LIG_C C 3 . ? 5.627   -7.931  9.720  1.00 19.27 1 C 1 
HETATM 133 C C5  . LIG_C C 3 . ? 4.036   -7.418  7.814  1.00 16.51 1 C 1 
HETATM 134 C C6  . LIG_C C 3 . ? 3.854   -5.983  8.316  1.00 13.10 1 C 1 
HETATM 135 O O1  . LIG_C C 3 . ? 2.855   -5.617  8.927  1.00 16.23 1 C 1 
HETATM 136 N N1  . LIG_C C 3 . ? 4.843   -5.119  7.997  1.00 15.28 1 C 1 
HETATM 137 C C7  . LIG_C C 3 . ? 4.743   -3.676  8.230  1.00 18.84 1 C 1 
HETATM 138 C C8  . LIG_C C 3 . ? 4.896   -2.874  6.980  1.00 16.97 1 C 1 
HETATM 139 O O2  . LIG_C C 3 . ? 5.682   -1.957  6.875  1.00 18.42 1 C 1 
HETATM 140 N N2  . LIG_C C 3 . ? 4.110   -3.254  5.981  1.00 16.57 1 C 1 
HETATM 141 C C9  . LIG_C C 3 . ? 4.170   -2.588  4.707  1.00 16.87 1 C 1 
HETATM 142 C C10 . LIG_C C 3 . ? 2.875   -1.874  4.357  1.00 22.40 1 C 1 
HETATM 143 S S1  . LIG_C C 3 . ? 1.520   -2.732  4.670  1.00 21.23 1 C 1 
HETATM 144 O O3  . LIG_C C 3 . ? 1.156   -2.511  6.115  1.00 24.31 1 C 1 
HETATM 145 C C11 . LIG_C C 3 . ? 0.124   -2.131  3.861  1.00 18.59 1 C 1 
HETATM 146 C C12 . LIG_C C 3 . ? -0.764  -3.080  3.406  1.00 16.15 1 C 1 
HETATM 147 C C13 . LIG_C C 3 . ? -0.593  -4.367  3.860  1.00 18.28 1 C 1 
HETATM 148 C C14 . LIG_C C 3 . ? -1.006  -5.683  3.384  1.00 13.80 1 C 1 
HETATM 149 C C15 . LIG_C C 3 . ? -0.465  -6.490  4.532  1.00 16.75 1 C 1 
HETATM 150 O O4  . LIG_C C 3 . ? -1.156  -6.593  5.535  1.00 17.13 1 C 1 
HETATM 151 N N3  . LIG_C C 3 . ? 0.749   -7.041  4.395  1.00 15.19 1 C 1 
HETATM 152 C C16 . LIG_C C 3 . ? 1.301   -7.840  5.429  1.00 20.71 1 C 1 
HETATM 153 C C17 . LIG_C C 3 . ? 2.395   -7.141  6.098  1.00 17.54 1 C 1 
HETATM 154 O O5  . LIG_C C 3 . ? 2.838   -6.095  5.707  1.00 19.34 1 C 1 
HETATM 155 N N4  . LIG_C C 3 . ? 2.845   -7.809  7.182  1.00 15.70 1 C 1 
HETATM 156 N N5  . LIG_C C 3 . ? -0.480  -6.207  2.160  1.00 13.26 1 C 1 
HETATM 157 C C18 . LIG_C C 3 . ? -1.252  -6.845  1.275  1.00 14.83 1 C 1 
HETATM 158 O O6  . LIG_C C 3 . ? -2.444  -6.623  1.167  1.00 16.55 1 C 1 
HETATM 159 C C19 . LIG_C C 3 . ? -0.497  -7.815  0.393  1.00 15.42 1 C 1 
HETATM 160 N N6  . LIG_C C 3 . ? 0.581   -7.033  -0.220 1.00 14.63 1 C 1 
HETATM 161 C C20 . LIG_C C 3 . ? 1.868   -7.392  -0.072 1.00 19.08 1 C 1 
HETATM 162 O O7  . LIG_C C 3 . ? 2.208   -8.416  0.530  1.00 19.08 1 C 1 
HETATM 163 C C21 . LIG_C C 3 . ? 2.869   -6.415  -0.583 1.00 18.47 1 C 1 
HETATM 164 C C22 . LIG_C C 3 . ? 3.493   -6.876  -1.845 1.00 27.49 1 C 1 
HETATM 165 C C23 . LIG_C C 3 . ? 4.930   -6.516  -1.653 1.00 24.94 1 C 1 
HETATM 166 C C24 . LIG_C C 3 . ? 5.176   -6.603  -0.161 1.00 25.78 1 C 1 
HETATM 167 N N7  . LIG_C C 3 . ? 3.929   -6.321  0.433  1.00 20.30 1 C 1 
HETATM 168 C C25 . LIG_C C 3 . ? 3.647   -5.994  1.772  1.00 18.24 1 C 1 
HETATM 169 O O8  . LIG_C C 3 . ? 2.458   -5.846  2.123  1.00 15.65 1 C 1 
HETATM 170 C C26 . LIG_C C 3 . ? 4.780   -5.828  2.744  1.00 18.15 1 C 1 
HETATM 171 N N8  . LIG_C C 3 . ? 4.393   -4.835  3.722  1.00 15.61 1 C 1 
HETATM 172 C C27 . LIG_C C 3 . ? 4.509   -3.513  3.556  1.00 18.34 1 C 1 
HETATM 173 O O9  . LIG_C C 3 . ? 4.858   -3.120  2.476  1.00 22.74 1 C 1 
HETATM 174 C C28 . LIG_C C 3 . ? 5.062   -7.158  3.377  1.00 23.89 1 C 1 
HETATM 175 C C29 . LIG_C C 3 . ? 6.278   -7.150  4.247  1.00 24.12 1 C 1 
HETATM 176 O O10 . LIG_C C 3 . ? 6.346   -6.448  5.232  1.00 33.21 1 C 1 
HETATM 177 N N9  . LIG_C C 3 . ? 7.291   -7.955  3.859  1.00 33.27 1 C 1 
HETATM 178 O O11 . LIG_C C 3 . ? 5.099   -5.181  -2.083 1.00 24.36 1 C 1 
HETATM 179 C C30 . LIG_C C 3 . ? -1.350  -8.531  -0.658 1.00 24.15 1 C 1 
HETATM 180 C C31 . LIG_C C 3 . ? -2.258  -9.540  0.039  1.00 25.65 1 C 1 
HETATM 181 C C32 . LIG_C C 3 . ? -0.492  -9.228  -1.689 1.00 23.97 1 C 1 
HETATM 182 C C33 . LIG_C C 3 . ? -1.363  -9.956  -2.686 1.00 21.28 1 C 1 
HETATM 183 O O12 . LIG_C C 3 . ? -0.517  -10.632 -3.594 1.00 27.50 1 C 1 
HETATM 184 O O13 . LIG_C C 3 . ? 0.365   -10.128 -1.036 1.00 27.91 1 C 1 
HETATM 185 C C34 . LIG_C C 3 . ? -1.690  -2.449  2.625  1.00 18.19 1 C 1 
HETATM 186 C C35 . LIG_C C 3 . ? -1.395  -1.087  2.670  1.00 20.41 1 C 1 
HETATM 187 N N10 . LIG_C C 3 . ? -0.244  -0.935  3.457  1.00 21.95 1 C 1 
HETATM 188 C C36 . LIG_C C 3 . ? -2.170  -0.183  1.989  1.00 21.41 1 C 1 
HETATM 189 C C37 . LIG_C C 3 . ? -3.262  -0.666  1.239  1.00 19.93 1 C 1 
HETATM 190 C C38 . LIG_C C 3 . ? -3.516  -2.059  1.186  1.00 20.00 1 C 1 
HETATM 191 C C39 . LIG_C C 3 . ? -2.744  -2.974  1.882  1.00 16.94 1 C 1 
HETATM 192 O O14 . LIG_C C 3 . ? -4.024  0.200   0.591  1.00 18.10 1 C 1 
HETATM 193 C C1  . LIG_D D 4 . ? -8.038  -8.634  -9.322 1.00 21.88 1 D 1 
HETATM 194 C C2  . LIG_D D 4 . ? -7.639  -9.687  -8.340 1.00 17.78 1 D 1 
HETATM 195 C C3  . LIG_D D 4 . ? -6.146  -9.870  -8.254 1.00 15.02 1 D 1 
HETATM 196 C C4  . LIG_D D 4 . ? -5.585  -10.363 -9.591 1.00 20.09 1 D 1 
HETATM 197 C C5  . LIG_D D 4 . ? -5.456  -8.577  -7.774 1.00 15.49 1 D 1 
HETATM 198 C C6  . LIG_D D 4 . ? -3.950  -8.644  -7.966 1.00 12.54 1 D 1 
HETATM 199 O O1  . LIG_D D 4 . ? -3.222  -9.282  -7.217 1.00 17.36 1 D 1 
HETATM 200 N N1  . LIG_D D 4 . ? -3.443  -7.910  -8.978 1.00 15.85 1 D 1 
HETATM 201 C C7  . LIG_D D 4 . ? -2.021  -7.699  -9.157 1.00 20.22 1 D 1 
HETATM 202 C C8  . LIG_D D 4 . ? -1.655  -6.249  -9.073 1.00 17.49 1 D 1 
HETATM 203 O O2  . LIG_D D 4 . ? -0.904  -5.720  -9.857 1.00 21.11 1 D 1 
HETATM 204 N N2  . LIG_D D 4 . ? -2.223  -5.605  -8.073 1.00 16.67 1 D 1 
HETATM 205 C C9  . LIG_D D 4 . ? -2.031  -4.177  -7.907 1.00 17.78 1 D 1 
HETATM 206 C C10 . LIG_D D 4 . ? -1.275  -3.849  -6.680 1.00 22.66 1 D 1 
HETATM 207 S S1  . LIG_D D 4 . ? -1.734  -4.669  -5.297 1.00 21.71 1 D 1 
HETATM 208 O O3  . LIG_D D 4 . ? -1.419  -6.118  -5.432 1.00 25.12 1 D 1 
HETATM 209 C C11 . LIG_D D 4 . ? -0.731  -4.213  -4.067 1.00 17.51 1 D 1 
HETATM 210 C C12 . LIG_D D 4 . ? -1.291  -3.874  -2.822 1.00 14.88 1 D 1 
HETATM 211 C C13 . LIG_D D 4 . ? -2.682  -3.773  -2.493 1.00 17.02 1 D 1 
HETATM 212 C C14 . LIG_D D 4 . ? -3.756  -4.733  -2.127 1.00 13.73 1 D 1 
HETATM 213 C C15 . LIG_D D 4 . ? -4.050  -5.947  -2.917 1.00 16.27 1 D 1 
HETATM 214 O O4  . LIG_D D 4 . ? -3.351  -6.946  -2.801 1.00 17.32 1 D 1 
HETATM 215 N N3  . LIG_D D 4 . ? -5.158  -5.932  -3.719 1.00 14.23 1 D 1 
HETATM 216 C C16 . LIG_D D 4 . ? -5.674  -7.087  -4.371 1.00 21.66 1 D 1 
HETATM 217 C C17 . LIG_D D 4 . ? -5.202  -7.232  -5.763 1.00 17.89 1 D 1 
HETATM 218 O O5  . LIG_D D 4 . ? -4.470  -6.437  -6.289 1.00 18.74 1 D 1 
HETATM 219 N N4  . LIG_D D 4 . ? -5.680  -8.350  -6.392 1.00 14.61 1 D 1 
HETATM 220 N N5  . LIG_D D 4 . ? -4.914  -3.851  -2.141 1.00 13.11 1 D 1 
HETATM 221 C C18 . LIG_D D 4 . ? -5.895  -3.940  -1.249 1.00 14.00 1 D 1 
HETATM 222 O O6  . LIG_D D 4 . ? -5.831  -4.754  -0.343 1.00 15.61 1 D 1 
HETATM 223 C C19 . LIG_D D 4 . ? -7.086  -3.009  -1.451 1.00 14.71 1 D 1 
HETATM 224 N N6  . LIG_D D 4 . ? -6.756  -2.020  -2.474 1.00 13.22 1 D 1 
HETATM 225 C C20 . LIG_D D 4 . ? -7.372  -1.996  -3.702 1.00 15.38 1 D 1 
HETATM 226 O O7  . LIG_D D 4 . ? -8.272  -2.791  -4.004 1.00 17.10 1 D 1 
HETATM 227 C C21 . LIG_D D 4 . ? -6.838  -1.004  -4.708 1.00 16.65 1 D 1 
HETATM 228 C C22 . LIG_D D 4 . ? -7.760  0.133   -4.904 1.00 24.03 1 D 1 
HETATM 229 C C23 . LIG_D D 4 . ? -7.812  0.308   -6.400 1.00 20.37 1 D 1 
HETATM 230 C C24 . LIG_D D 4 . ? -7.490  -1.044  -6.985 1.00 21.72 1 D 1 
HETATM 231 N N7  . LIG_D D 4 . ? -6.724  -1.698  -6.008 1.00 18.37 1 D 1 
HETATM 232 C C25 . LIG_D D 4 . ? -5.936  -2.835  -6.154 1.00 16.02 1 D 1 
HETATM 233 O O8  . LIG_D D 4 . ? -5.391  -3.326  -5.133 1.00 14.98 1 D 1 
HETATM 234 C C26 . LIG_D D 4 . ? -5.758  -3.438  -7.491 1.00 17.32 1 D 1 
HETATM 235 N N8  . LIG_D D 4 . ? -4.444  -4.054  -7.516 1.00 15.58 1 D 1 
HETATM 236 C C27 . LIG_D D 4 . ? -3.321  -3.410  -7.869 1.00 18.67 1 D 1 
HETATM 237 O O9  . LIG_D D 4 . ? -3.411  -2.242  -8.119 1.00 22.97 1 D 1 
HETATM 238 C C28 . LIG_D D 4 . ? -6.878  -4.417  -7.707 1.00 22.87 1 D 1 
HETATM 239 C C29 . LIG_D D 4 . ? -6.991  -4.902  -9.111 1.00 21.87 1 D 1 
HETATM 240 O O10 . LIG_D D 4 . ? -6.010  -5.111  -9.796 1.00 31.35 1 D 1 
HETATM 241 N N9  . LIG_D D 4 . ? -8.249  -5.107  -9.568 1.00 31.43 1 D 1 
HETATM 242 O O11 . LIG_D D 4 . ? -6.799  1.213   -6.787 1.00 21.08 1 D 1 
HETATM 243 C C30 . LIG_D D 4 . ? -7.507  -2.363  -0.143 1.00 22.59 1 D 1 
HETATM 244 C C31 . LIG_D D 4 . ? -8.482  -3.303  0.575  1.00 23.44 1 D 1 
HETATM 245 C C32 . LIG_D D 4 . ? -8.124  -1.008  -0.327 1.00 21.24 1 D 1 
HETATM 246 C C33 . LIG_D D 4 . ? -8.511  -0.439  1.004  1.00 19.38 1 D 1 
HETATM 247 O O12 . LIG_D D 4 . ? -9.250  0.732   0.784  1.00 24.36 1 D 1 
HETATM 248 O O13 . LIG_D D 4 . ? -9.237  -1.125  -1.170 1.00 25.67 1 D 1 
HETATM 249 C C34 . LIG_D D 4 . ? -0.205  -3.459  -2.060 1.00 16.99 1 D 1 
HETATM 250 C C35 . LIG_D D 4 . ? 0.940   -3.574  -2.849 1.00 19.21 1 D 1 
HETATM 251 N N10 . LIG_D D 4 . ? 0.567   -4.045  -4.118 1.00 21.99 1 D 1 
HETATM 252 C C36 . LIG_D D 4 . ? 2.178   -3.234  -2.347 1.00 20.07 1 D 1 
HETATM 253 C C37 . LIG_D D 4 . ? 2.251   -2.766  -1.020 1.00 17.52 1 D 1 
HETATM 254 C C38 . LIG_D D 4 . ? 1.084   -2.646  -0.260 1.00 18.86 1 D 1 
HETATM 255 C C39 . LIG_D D 4 . ? -0.179  -2.992  -0.758 1.00 15.42 1 D 1 
HETATM 256 O O14 . LIG_D D 4 . ? 3.431   -2.443  -0.524 1.00 16.26 1 D 1 
HETATM 257 C C1  . LIG_E E 5 . ? -8.714  6.878   7.453  1.00 25.02 1 E 1 
HETATM 258 C C2  . LIG_E E 5 . ? -7.766  7.907   7.991  1.00 21.31 1 E 1 
HETATM 259 C C3  . LIG_E E 5 . ? -7.006  8.630   6.917  1.00 17.46 1 E 1 
HETATM 260 C C4  . LIG_E E 5 . ? -7.959  9.452   6.044  1.00 22.96 1 E 1 
HETATM 261 C C5  . LIG_E E 5 . ? -6.179  7.643   6.050  1.00 18.25 1 E 1 
HETATM 262 C C6  . LIG_E E 5 . ? -5.386  8.406   4.992  1.00 15.59 1 E 1 
HETATM 263 O O1  . LIG_E E 5 . ? -4.376  9.049   5.293  1.00 20.14 1 E 1 
HETATM 264 N N1  . LIG_E E 5 . ? -5.779  8.255   3.732  1.00 16.61 1 E 1 
HETATM 265 C C7  . LIG_E E 5 . ? -4.937  8.681   2.597  1.00 21.88 1 E 1 
HETATM 266 C C8  . LIG_E E 5 . ? -4.696  7.602   1.585  1.00 17.87 1 E 1 
HETATM 267 O O2  . LIG_E E 5 . ? -4.724  7.854   0.419  1.00 21.78 1 E 1 
HETATM 268 N N2  . LIG_E E 5 . ? -4.443  6.370   2.095  1.00 16.93 1 E 1 
HETATM 269 C C9  . LIG_E E 5 . ? -4.332  5.194   1.256  1.00 16.81 1 E 1 
HETATM 270 C C10 . LIG_E E 5 . ? -2.891  4.784   1.033  1.00 23.46 1 E 1 
HETATM 271 S S1  . LIG_E E 5 . ? -2.242  4.136   2.415  1.00 23.48 1 E 1 
HETATM 272 O O3  . LIG_E E 5 . ? -2.014  5.392   3.200  1.00 26.05 1 E 1 
HETATM 273 C C11 . LIG_E E 5 . ? -0.790  3.310   2.242  1.00 19.91 1 E 1 
HETATM 274 C C12 . LIG_E E 5 . ? 0.124   3.320   3.304  1.00 17.01 1 E 1 
HETATM 275 C C13 . LIG_E E 5 . ? -0.004  4.141   4.527  1.00 19.34 1 E 1 
HETATM 276 C C14 . LIG_E E 5 . ? -0.460  3.615   5.868  1.00 14.90 1 E 1 
HETATM 277 C C15 . LIG_E E 5 . ? -1.406  4.655   6.452  1.00 18.56 1 E 1 
HETATM 278 O O4  . LIG_E E 5 . ? -0.907  5.719   6.835  1.00 19.61 1 E 1 
HETATM 279 N N3  . LIG_E E 5 . ? -2.719  4.350   6.520  1.00 16.82 1 E 1 
HETATM 280 C C16 . LIG_E E 5 . ? -3.652  5.225   7.168  1.00 22.56 1 E 1 
HETATM 281 C C17 . LIG_E E 5 . ? -4.478  5.967   6.205  1.00 19.84 1 E 1 
HETATM 282 O O5  . LIG_E E 5 . ? -4.497  5.731   5.023  1.00 20.60 1 E 1 
HETATM 283 N N4  . LIG_E E 5 . ? -5.223  6.932   6.795  1.00 19.23 1 E 1 
HETATM 284 N N5  . LIG_E E 5 . ? -1.106  2.351   5.957  1.00 14.57 1 E 1 
HETATM 285 C C18 . LIG_E E 5 . ? -0.689  1.437   6.851  1.00 16.55 1 E 1 
HETATM 286 O O6  . LIG_E E 5 . ? 0.496   1.312   7.135  1.00 17.36 1 E 1 
HETATM 287 C C19 . LIG_E E 5 . ? -1.761  0.541   7.457  1.00 17.02 1 E 1 
HETATM 288 N N6  . LIG_E E 5 . ? -2.455  -0.090  6.338  1.00 14.62 1 E 1 
HETATM 289 C C20 . LIG_E E 5 . ? -3.799  0.020   6.221  1.00 16.81 1 E 1 
HETATM 290 O O7  . LIG_E E 5 . ? -4.509  0.561   7.068  1.00 17.62 1 E 1 
HETATM 291 C C21 . LIG_E E 5 . ? -4.364  -0.491  4.950  1.00 17.04 1 E 1 
HETATM 292 C C22 . LIG_E E 5 . ? -5.074  -1.771  5.176  1.00 24.63 1 E 1 
HETATM 293 C C23 . LIG_E E 5 . ? -6.335  -1.625  4.386  1.00 21.05 1 E 1 
HETATM 294 C C24 . LIG_E E 5 . ? -6.596  -0.131  4.250  1.00 21.62 1 E 1 
HETATM 295 N N7  . LIG_E E 5 . ? -5.359  0.505   4.472  1.00 17.27 1 E 1 
HETATM 296 C C25 . LIG_E E 5 . ? -5.050  1.876   4.327  1.00 15.30 1 E 1 
HETATM 297 O O8  . LIG_E E 5 . ? -3.909  2.268   4.677  1.00 15.06 1 E 1 
HETATM 298 C C26 . LIG_E E 5 . ? -6.069  2.830   3.747  1.00 16.98 1 E 1 
HETATM 299 N N8  . LIG_E E 5 . ? -5.347  3.911   3.113  1.00 15.35 1 E 1 
HETATM 300 C C27 . LIG_E E 5 . ? -5.093  3.991   1.777  1.00 18.34 1 E 1 
HETATM 301 O O9  . LIG_E E 5 . ? -5.451  3.079   1.096  1.00 23.57 1 E 1 
HETATM 302 C C28 . LIG_E E 5 . ? -6.979  3.355   4.822  1.00 22.45 1 E 1 
HETATM 303 C C29 . LIG_E E 5 . ? -8.044  4.232   4.256  1.00 22.90 1 E 1 
HETATM 304 O O10 . LIG_E E 5 . ? -8.021  5.419   4.439  1.00 33.18 1 E 1 
HETATM 305 N N9  . LIG_E E 5 . ? -8.996  3.619   3.495  1.00 33.46 1 E 1 
HETATM 306 O O11 . LIG_E E 5 . ? -6.099  -2.171  3.107  1.00 20.50 1 E 1 
HETATM 307 C C30 . LIG_E E 5 . ? -1.180  -0.412  8.492  1.00 23.64 1 E 1 
HETATM 308 C C31 . LIG_E E 5 . ? -0.951  0.392   9.779  1.00 25.14 1 E 1 
HETATM 309 C C32 . LIG_E E 5 . ? -2.047  -1.599  8.767  1.00 22.63 1 E 1 
HETATM 310 C C33 . LIG_E E 5 . ? -1.431  -2.438  9.848  1.00 20.31 1 E 1 
HETATM 311 O O12 . LIG_E E 5 . ? -2.344  -3.462  10.180 1.00 26.40 1 E 1 
HETATM 312 O O13 . LIG_E E 5 . ? -3.319  -1.174  9.133  1.00 25.61 1 E 1 
HETATM 313 C C34 . LIG_E E 5 . ? 1.152   2.469   2.938  1.00 19.30 1 E 1 
HETATM 314 C C35 . LIG_E E 5 . ? 0.857   1.958   1.675  1.00 20.77 1 E 1 
HETATM 315 N N10 . LIG_E E 5 . ? -0.372  2.481   1.272  1.00 21.52 1 E 1 
HETATM 316 C C36 . LIG_E E 5 . ? 1.734   1.084   1.053  1.00 21.25 1 E 1 
HETATM 317 C C37 . LIG_E E 5 . ? 2.913   0.713   1.730  1.00 18.21 1 E 1 
HETATM 318 C C38 . LIG_E E 5 . ? 3.180   1.240   3.017  1.00 21.21 1 E 1 
HETATM 319 C C39 . LIG_E E 5 . ? 2.299   2.128   3.651  1.00 19.35 1 E 1 
HETATM 320 O O14 . LIG_E E 5 . ? 3.777   -0.127  1.158  1.00 16.88 1 E 1 
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