data_5JNU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5JNU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5JNU
_pdbx_vrpt_summary.PDB_deposition_date         2016-04-30
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-09-27
_pdbx_vrpt_summary.report_creation_date        2023-09-20:08:55
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Low molecular weight phosphotyrosine protein phosphatase"  
2  non-polymer  "PHOSPHATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  3  
E  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.535  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   89.70  141614     ?     ?  
 2  2  1   91.97    1332  2.52  2.56  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1315  2.52  2.56  
 5  1  3   66.62  138945     ?     ?  
 6  2  3   78.63    1315  2.52  2.56  
 7  1  4   29.29  127900     ?     ?  
 8  2  4   35.38    1272  2.52  2.56  
 9  1  5   36.52  130704     ?     ?  
10  2  5   61.88    1284  2.52  2.56  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A   83.60  
 4  6  3  A  1  1  A   89.89  
 5  7  4  A  1  1  A   55.52  
 6  8  4  A  1  1  A   61.95  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B   51.52  
10  6  3  B  1  1  B   66.39  
11  7  4  B  1  1  B   15.04  
12  8  4  B  1  1  B   18.32  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.44  0.26  1274  1716  
2  1  1  B  B  0.44  0.26  1252  1686  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.45
_pdbx_vrpt_summary_geometry.clashscore                     1.83
_pdbx_vrpt_summary_geometry.num_H_reduce                   2427
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2526
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.26
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3402
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.44
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 122.168
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            40.521
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.935
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.57(2.54A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9320
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.180
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.362
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.463
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.296
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.927
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.53
_pdbx_vrpt_summary_diffraction.EDS_res_low               38.58
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[29.848,40.359,49.415,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.491
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.22% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         99.42
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      477
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.12
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     4.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.54
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.58
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    7  GLY  A    4  .  ?        ?  
  2  1  1  A    8  SER  A    5  .  ?        ?  
  3  1  1  A    9  LYS  A    6  .  ?        ?  
  4  1  1  A   10  SER  A    7  .  ?        ?  
  5  1  1  A   11  VAL  A    8  .  ?        ?  
  6  1  1  A   12  LEU  A    9  .  ?        ?  
  7  1  1  A   13  PHE  A   10  .  ?        ?  
  8  1  1  A   14  VAL  A   11  .  ?        ?  
  9  1  1  A   15  CYS  A   12  .  ?        ?  
 10  1  1  A   16  LEU  A   13  .  ?        ?  
 11  1  1  A   17  GLY  A   14  .  ?        ?  
 12  1  1  A   18  ASN  A   15  .  ?        1  
 13  1  1  A   19  ILE  A   16  .  ?        ?  
 14  1  1  A   20  CYS  A   17  .  ?        ?  
 15  1  1  A   21  ARG  A   18  .  ?        ?  
 16  1  1  A   22  SER  A   19  .  ?        ?  
 17  1  1  A   23  PRO  A   20  .  ?        ?  
 18  1  1  A   24  ILE  A   21  .  ?        ?  
 19  1  1  A   25  ALA  A   22  .  ?        ?  
 20  1  1  A   26  GLU  A   23  .  ?        ?  
 21  1  1  A   27  ALA  A   24  .  ?        ?  
 22  1  1  A   28  VAL  A   25  .  ?        ?  
 23  1  1  A   29  PHE  A   26  .  ?        ?  
 24  1  1  A   30  ARG  A   27  .  ?        ?  
 25  1  1  A   31  LYS  A   28  .  ?        ?  
 26  1  1  A   32  LEU  A   29  .  ?        1  
 27  1  1  A   33  VAL  A   30  .  ?        ?  
 28  1  1  A   34  THR  A   31  .  ?        ?  
 29  1  1  A   35  ASP  A   32  .  ?        ?  
 30  1  1  A   36  GLU  A   33  .  ?        ?  
 31  1  1  A   37  LYS  A   34  .  ?        ?  
 32  1  1  A   38  VAL  A   35  .  ?        2  
 33  1  1  A   39  SER  A   36  .  ?        ?  
 34  1  1  A   40  ASP  A   37  .  ?        ?  
 35  1  1  A   41  ASN  A   38  .  ?        ?  
 36  1  1  A   42  TRP  A   39  .  ?        ?  
 37  1  1  A   43  ARG  A   40  .  ?        ?  
 38  1  1  A   44  ILE  A   41  .  ?        ?  
 39  1  1  A   45  ASP  A   42  .  ?        ?  
 40  1  1  A   46  SER  A   43  .  ?        ?  
 41  1  1  A   47  ALA  A   44  .  ?        ?  
 42  1  1  A   48  ALA  A   45  .  ?        ?  
 43  1  1  A   49  THR  A   46  .  ?        ?  
 44  1  1  A   50  SER  A   47  .  ?        ?  
 45  1  1  A   51  THR  A   48  .  ?        ?  
 46  1  1  A   52  TYR  A   49  A  ?        ?  
 47  1  1  A   52  TYR  A   49  B  ?        ?  
 48  1  1  A   53  GLU  A   50  .  ?        ?  
 49  1  1  A   54  VAL  A   51  .  ?        ?  
 50  1  1  A   55  GLY  A   52  .  ?        ?  
 51  1  1  A   56  ASN  A   53  .  ?        ?  
 52  1  1  A   57  PRO  A   54  .  ?        ?  
 53  1  1  A   58  PRO  A   55  .  ?        ?  
 54  1  1  A   59  ASP  A   56  .  ?        ?  
 55  1  1  A   60  TYR  A   57  .  ?        ?  
 56  1  1  A   61  ARG  A   58  .  ?        1  
 57  1  1  A   62  GLY  A   59  .  ?        ?  
 58  1  1  A   63  GLN  A   60  .  ?        ?  
 59  1  1  A   64  ASN  A   61  .  ?        ?  
 60  1  1  A   65  CYS  A   62  .  ?        ?  
 61  1  1  A   66  MET  A   63  .  ?        ?  
 62  1  1  A   67  ARG  A   64  .  ?        ?  
 63  1  1  A   68  LYS  A   65  .  ?        ?  
 64  1  1  A   69  HIS  A   66  .  ?        ?  
 65  1  1  A   70  GLY  A   67  .  ?        ?  
 66  1  1  A   71  ILE  A   68  .  ?        ?  
 67  1  1  A   72  HIS  A   69  .  ?        ?  
 68  1  1  A   73  MET  A   70  .  ?        ?  
 69  1  1  A   74  GLN  A   71  .  ?        ?  
 70  1  1  A   75  HIS  A   72  .  ?        2  
 71  1  1  A   76  ILE  A   73  .  ?        ?  
 72  1  1  A   77  ALA  A   74  .  ?        ?  
 73  1  1  A   78  ARG  A   75  .  ?        ?  
 74  1  1  A   79  GLN  A   76  .  ?        ?  
 75  1  1  A   80  ILE  A   77  .  ?        ?  
 76  1  1  A   81  THR  A   78  .  ?        ?  
 77  1  1  A   82  LYS  A   79  .  ?        ?  
 78  1  1  A   83  GLU  A   80  .  ?        ?  
 79  1  1  A   84  ASP  A   81  .  ?        ?  
 80  1  1  A   85  PHE  A   82  .  ?        ?  
 81  1  1  A   86  ALA  A   83  .  ?        ?  
 82  1  1  A   87  THR  A   84  .  ?        ?  
 83  1  1  A   88  PHE  A   85  .  ?        ?  
 84  1  1  A   89  ASP  A   86  .  ?        ?  
 85  1  1  A   90  TYR  A   87  .  ?        ?  
 86  1  1  A   91  ILE  A   88  .  ?        ?  
 87  1  1  A   92  LEU  A   89  .  ?        ?  
 88  1  1  A   93  CYS  A   90  .  ?        ?  
 89  1  1  A   94  MET  A   91  .  ?        ?  
 90  1  1  A   95  ASP  A   92  .  ?        ?  
 91  1  1  A   96  GLU  A   93  .  ?        ?  
 92  1  1  A   97  SER  A   94  .  ?        ?  
 93  1  1  A   98  ASN  A   95  .  ?        ?  
 94  1  1  A   99  LEU  A   96  .  ?        ?  
 95  1  1  A  100  ARG  A   97  .  ?        ?  
 96  1  1  A  101  ASP  A   98  .  ?        ?  
 97  1  1  A  102  LEU  A   99  .  ?        ?  
 98  1  1  A  103  ASN  A  100  .  ?        ?  
 99  1  1  A  104  ARG  A  101  .  ?        ?  
100  1  1  A  105  LYS  A  102  .  ?        ?  
101  1  1  A  106  SER  A  103  .  ?        ?  
102  1  1  A  107  ASN  A  104  .  ?        ?  
103  1  1  A  108  GLN  A  105  .  ?        ?  
104  1  1  A  109  VAL  A  106  .  ?        ?  
105  1  1  A  110  LYS  A  107  .  ?        ?  
106  1  1  A  111  ASN  A  108  .  ?        ?  
107  1  1  A  112  CYS  A  109  .  ?        ?  
108  1  1  A  113  LYS  A  110  .  ?        ?  
109  1  1  A  114  ALA  A  111  .  ?        ?  
110  1  1  A  115  LYS  A  112  .  ?        ?  
111  1  1  A  116  ILE  A  113  .  ?        ?  
112  1  1  A  117  GLU  A  114  .  ?        ?  
113  1  1  A  118  LEU  A  115  .  ?        ?  
114  1  1  A  119  LEU  A  116  .  ?        ?  
115  1  1  A  120  GLY  A  117  .  ?        ?  
116  1  1  A  121  SER  A  118  .  ?        ?  
117  1  1  A  122  TYR  A  119  .  ?        ?  
118  1  1  A  123  ASP  A  120  .  ?        ?  
119  1  1  A  124  PRO  A  121  .  ?        ?  
120  1  1  A  125  GLN  A  122  .  ?        ?  
121  1  1  A  126  LYS  A  123  .  ?        ?  
122  1  1  A  127  GLN  A  124  .  ?        ?  
123  1  1  A  128  LEU  A  125  .  ?        ?  
124  1  1  A  129  ILE  A  126  .  ?        ?  
125  1  1  A  130  ILE  A  127  .  ?        ?  
126  1  1  A  131  GLU  A  128  A  ?        ?  
127  1  1  A  131  GLU  A  128  B  ?        ?  
128  1  1  A  132  ASP  A  129  .  ?        ?  
129  1  1  A  133  PRO  A  130  .  ?        ?  
130  1  1  A  134  TYR  A  131  .  ?        ?  
131  1  1  A  135  TYR  A  132  .  ?        ?  
132  1  1  A  136  GLY  A  133  .  ?        1  
133  1  1  A  137  ASN  A  134  .  ?        ?  
134  1  1  A  138  ASP  A  135  .  ?        ?  
135  1  1  A  139  SER  A  136  .  ?        ?  
136  1  1  A  140  ASP  A  137  .  ?        ?  
137  1  1  A  141  PHE  A  138  .  ?        ?  
138  1  1  A  142  GLU  A  139  .  ?        ?  
139  1  1  A  143  VAL  A  140  .  ?        ?  
140  1  1  A  144  VAL  A  141  .  ?        ?  
141  1  1  A  145  TYR  A  142  .  ?        ?  
142  1  1  A  146  GLN  A  143  .  ?        ?  
143  1  1  A  147  GLN  A  144  .  ?        ?  
144  1  1  A  148  CYS  A  145  .  ?        ?  
145  1  1  A  149  LEU  A  146  .  ?        ?  
146  1  1  A  150  ARG  A  147  .  ?        ?  
147  1  1  A  151  CYS  A  148  .  ?        ?  
148  1  1  A  152  CYS  A  149  .  ?        ?  
149  1  1  A  153  LYS  A  150  .  ?        ?  
150  1  1  A  154  ALA  A  151  .  ?        ?  
151  1  1  A  155  PHE  A  152  .  ?        ?  
152  1  1  A  156  LEU  A  153  .  ?        1  
153  1  1  A  157  GLU  A  154  .  ?        ?  
154  1  1  A  158  LYS  A  155  .  ?        ?  
155  1  1  A  159  THR  A  156  .  ?        ?  
156  1  1  B    7  GLY  B    4  .  ?        ?  
157  1  1  B    8  SER  B    5  .  ?        ?  
158  1  1  B    9  LYS  B    6  .  ?        ?  
159  1  1  B   10  SER  B    7  .  ?        1  
160  1  1  B   11  VAL  B    8  .  ?        ?  
161  1  1  B   12  LEU  B    9  .  ?        ?  
162  1  1  B   13  PHE  B   10  .  ?        ?  
163  1  1  B   14  VAL  B   11  .  ?        ?  
164  1  1  B   15  CYS  B   12  .  ?        ?  
165  1  1  B   16  LEU  B   13  .  ?        ?  
166  1  1  B   17  GLY  B   14  .  ?        ?  
167  1  1  B   18  ASN  B   15  .  ?        ?  
168  1  1  B   19  ILE  B   16  .  ?        ?  
169  1  1  B   20  CYS  B   17  .  ?        ?  
170  1  1  B   21  ARG  B   18  .  ?        ?  
171  1  1  B   22  SER  B   19  .  ?        1  
172  1  1  B   23  PRO  B   20  .  ?        1  
173  1  1  B   24  ILE  B   21  .  ?        ?  
174  1  1  B   25  ALA  B   22  .  ?        ?  
175  1  1  B   26  GLU  B   23  .  ?        ?  
176  1  1  B   27  ALA  B   24  .  ?        1  
177  1  1  B   28  VAL  B   25  .  ?        ?  
178  1  1  B   29  PHE  B   26  .  ?        ?  
179  1  1  B   30  ARG  B   27  .  ?        ?  
180  1  1  B   31  LYS  B   28  .  ?        ?  
181  1  1  B   32  LEU  B   29  .  ?        ?  
182  1  1  B   33  VAL  B   30  .  ?        ?  
183  1  1  B   34  THR  B   31  .  ?        ?  
184  1  1  B   35  ASP  B   32  .  ?        ?  
185  1  1  B   36  GLU  B   33  .  ?        ?  
186  1  1  B   37  LYS  B   34  .  ?        ?  
187  1  1  B   38  VAL  B   35  .  ?        2  
188  1  1  B   39  SER  B   36  .  ?        ?  
189  1  1  B   40  ASP  B   37  .  ?        ?  
190  1  1  B   41  ASN  B   38  .  ?        ?  
191  1  1  B   42  TRP  B   39  .  ?        ?  
192  1  1  B   43  ARG  B   40  .  ?        ?  
193  1  1  B   44  ILE  B   41  .  ?        ?  
194  1  1  B   45  ASP  B   42  .  ?        ?  
195  1  1  B   46  SER  B   43  .  ?        ?  
196  1  1  B   47  ALA  B   44  .  ?        ?  
197  1  1  B   48  ALA  B   45  .  ?        ?  
198  1  1  B   49  THR  B   46  .  ?        ?  
199  1  1  B   50  SER  B   47  .  ?        ?  
200  1  1  B   51  THR  B   48  .  ?        ?  
201  1  1  B   52  TYR  B   49  .  ?        ?  
202  1  1  B   53  GLU  B   50  .  ?        ?  
203  1  1  B   54  VAL  B   51  .  ?        ?  
204  1  1  B   55  GLY  B   52  .  ?        ?  
205  1  1  B   56  ASN  B   53  .  ?        ?  
206  1  1  B   57  PRO  B   54  .  ?        ?  
207  1  1  B   58  PRO  B   55  .  ?        ?  
208  1  1  B   59  ASP  B   56  .  ?        ?  
209  1  1  B   60  TYR  B   57  .  ?        ?  
210  1  1  B   61  ARG  B   58  .  ?        ?  
211  1  1  B   62  GLY  B   59  .  ?        ?  
212  1  1  B   63  GLN  B   60  .  ?        ?  
213  1  1  B   64  ASN  B   61  .  ?        ?  
214  1  1  B   65  CYS  B   62  .  ?        ?  
215  1  1  B   66  MET  B   63  .  ?        ?  
216  1  1  B   67  ARG  B   64  .  ?        ?  
217  1  1  B   68  LYS  B   65  .  ?        ?  
218  1  1  B   69  HIS  B   66  .  ?        ?  
219  1  1  B   70  GLY  B   67  .  ?        ?  
220  1  1  B   71  ILE  B   68  .  ?        1  
221  1  1  B   72  HIS  B   69  .  ?        ?  
222  1  1  B   73  MET  B   70  .  ?        ?  
223  1  1  B   74  GLN  B   71  .  ?        1  
224  1  1  B   75  HIS  B   72  .  ?        ?  
225  1  1  B   76  ILE  B   73  .  ?        ?  
226  1  1  B   77  ALA  B   74  .  ?        ?  
227  1  1  B   78  ARG  B   75  .  ?        ?  
228  1  1  B   79  GLN  B   76  .  ?        ?  
229  1  1  B   80  ILE  B   77  .  ?        ?  
230  1  1  B   81  THR  B   78  .  ?        ?  
231  1  1  B   82  LYS  B   79  .  ?        ?  
232  1  1  B   83  GLU  B   80  .  ?        ?  
233  1  1  B   84  ASP  B   81  .  ?        ?  
234  1  1  B   85  PHE  B   82  .  ?        ?  
235  1  1  B   86  ALA  B   83  .  ?        ?  
236  1  1  B   87  THR  B   84  .  ?        ?  
237  1  1  B   88  PHE  B   85  .  ?        ?  
238  1  1  B   89  ASP  B   86  .  ?        1  
239  1  1  B   90  TYR  B   87  .  ?        ?  
240  1  1  B   91  ILE  B   88  .  ?        ?  
241  1  1  B   92  LEU  B   89  .  ?        ?  
242  1  1  B   93  CYS  B   90  .  ?        ?  
243  1  1  B   94  MET  B   91  .  ?        ?  
244  1  1  B   95  ASP  B   92  .  ?        ?  
245  1  1  B   96  GLU  B   93  .  ?        ?  
246  1  1  B   97  SER  B   94  .  ?        ?  
247  1  1  B   98  ASN  B   95  .  ?        ?  
248  1  1  B   99  LEU  B   96  .  ?        ?  
249  1  1  B  100  ARG  B   97  .  ?        ?  
250  1  1  B  101  ASP  B   98  .  ?        ?  
251  1  1  B  102  LEU  B   99  .  ?        ?  
252  1  1  B  103  ASN  B  100  .  ?        ?  
253  1  1  B  104  ARG  B  101  .  ?        ?  
254  1  1  B  105  LYS  B  102  .  ?        ?  
255  1  1  B  106  SER  B  103  .  ?        ?  
256  1  1  B  107  ASN  B  104  .  ?        ?  
257  1  1  B  108  GLN  B  105  .  ?        ?  
258  1  1  B  109  VAL  B  106  .  ?        ?  
259  1  1  B  110  LYS  B  107  .  ?        ?  
260  1  1  B  111  ASN  B  108  .  ?        ?  
261  1  1  B  112  CYS  B  109  .  ?        ?  
262  1  1  B  113  LYS  B  110  .  ?        ?  
263  1  1  B  114  ALA  B  111  .  ?        ?  
264  1  1  B  115  LYS  B  112  .  ?        ?  
265  1  1  B  116  ILE  B  113  .  ?        ?  
266  1  1  B  117  GLU  B  114  .  ?        ?  
267  1  1  B  118  LEU  B  115  .  ?        ?  
268  1  1  B  119  LEU  B  116  .  ?        ?  
269  1  1  B  120  GLY  B  117  .  ?        ?  
270  1  1  B  121  SER  B  118  .  ?        ?  
271  1  1  B  122  TYR  B  119  .  ?        ?  
272  1  1  B  123  ASP  B  120  .  ?        ?  
273  1  1  B  124  PRO  B  121  .  ?        ?  
274  1  1  B  125  GLN  B  122  .  ?        ?  
275  1  1  B  126  LYS  B  123  .  ?        ?  
276  1  1  B  127  GLN  B  124  .  ?        ?  
277  1  1  B  128  LEU  B  125  .  ?        ?  
278  1  1  B  129  ILE  B  126  .  ?        ?  
279  1  1  B  130  ILE  B  127  .  ?        ?  
280  1  1  B  131  GLU  B  128  .  ?        ?  
281  1  1  B  132  ASP  B  129  .  ?        ?  
282  1  1  B  133  PRO  B  130  .  ?        ?  
283  1  1  B  134  TYR  B  131  .  ?        ?  
284  1  1  B  135  TYR  B  132  .  ?        ?  
285  1  1  B  136  GLY  B  133  .  ?        ?  
286  1  1  B  137  ASN  B  134  .  ?        ?  
287  1  1  B  138  ASP  B  135  .  ?        ?  
288  1  1  B  139  SER  B  136  .  ?        ?  
289  1  1  B  140  ASP  B  137  .  ?        ?  
290  1  1  B  141  PHE  B  138  .  ?        ?  
291  1  1  B  142  GLU  B  139  .  ?        ?  
292  1  1  B  143  VAL  B  140  .  ?        ?  
293  1  1  B  144  VAL  B  141  .  ?        ?  
294  1  1  B  145  TYR  B  142  .  ?        ?  
295  1  1  B  146  GLN  B  143  .  ?        ?  
296  1  1  B  147  GLN  B  144  .  ?        ?  
297  1  1  B  148  CYS  B  145  .  ?        ?  
298  1  1  B  149  LEU  B  146  .  ?        ?  
299  1  1  B  150  ARG  B  147  .  ?        ?  
300  1  1  B  151  CYS  B  148  .  ?        ?  
301  1  1  B  152  CYS  B  149  .  ?        ?  
302  1  1  B  153  LYS  B  150  .  ?        ?  
303  1  1  B  154  ALA  B  151  .  ?        ?  
304  1  1  B  155  PHE  B  152  .  ?        ?  
305  1  1  B  156  LEU  B  153  .  ?        ?  
306  1  1  B  157  GLU  B  154  .  ?        ?  
307  1  1  B  158  LYS  B  155  .  ?        ?  
308  1  1  B  159  THR  B  156  .  ?        ?  
309  1  2  C    .  PO4  B  201  .  ?        ?  
310  1  3  D    .  HOH  A  201  .  ?        ?  
311  1  3  D    .  HOH  A  202  .  ?        ?  
312  1  3  D    .  HOH  A  203  .  ?        ?  
313  1  3  D    .  HOH  A  204  .  ?        ?  
314  1  3  D    .  HOH  A  205  .  ?        ?  
315  1  3  D    .  HOH  A  206  .  ?        ?  
316  1  3  D    .  HOH  A  207  .  ?        ?  
317  1  3  D    .  HOH  A  208  .  ?        ?  
318  1  3  D    .  HOH  A  209  .  ?        ?  
319  1  3  D    .  HOH  A  210  .  ?        ?  
320  1  3  D    .  HOH  A  211  .  ?        ?  
321  1  3  D    .  HOH  A  212  .  ?        ?  
322  1  3  D    .  HOH  A  213  .  ?        ?  
323  1  3  D    .  HOH  A  214  .  ?        ?  
324  1  3  D    .  HOH  A  215  .  ?        ?  
325  1  3  D    .  HOH  A  216  .  ?        ?  
326  1  3  D    .  HOH  A  217  .  ?        ?  
327  1  3  D    .  HOH  A  218  .  ?        ?  
328  1  3  D    .  HOH  A  219  .  ?        ?  
329  1  3  D    .  HOH  A  220  .  ?        ?  
330  1  3  E    .  HOH  B  301  .  ?        ?  
331  1  3  E    .  HOH  B  302  .  ?        ?  
332  1  3  E    .  HOH  B  303  .  ?        ?  
333  1  3  E    .  HOH  B  304  .  ?        ?  
334  1  3  E    .  HOH  B  305  .  ?        ?  
335  1  3  E    .  HOH  B  306  .  ?        ?  
336  1  3  E    .  HOH  B  307  .  ?        ?  
337  1  3  E    .  HOH  B  308  .  ?        ?  
338  1  3  E    .  HOH  B  309  .  ?        ?  
339  1  3  E    .  HOH  B  310  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?           2  60.380     4  0.23     5  0.28  molprobity  0.832  
  2    2  p         -84.5   137.5  Favored     5  56.570     6  0.24     8  0.43  molprobity  1.000  
  3    3  mttt     -115.8   169.6  Favored    13  43.780     9  0.30    11  0.46  molprobity  0.981  
  4    4  p        -160.3   150.4  Favored     5  31.840     6  0.26     8  0.42  molprobity  1.000  
  5    5  p        -147.1   144.3  Favored     9  27.840     7  0.17    10  0.46  molprobity  1.000  
  6    6  tp       -121.3   125.8  Favored    11  26.180     8  0.18    11  0.33  molprobity  1.000  
  7    7  m-85      -96.8   125.3  Favored     9  25.130    12  0.32    16  0.27  molprobity  1.000  
  8    8  t        -124.8   135.9  Favored     9  27.240     7  0.22    10  0.39  molprobity  1.000  
  9    9  p        -139.8  -163.1  Allowed     5  30.720     6  0.30     8  0.99  molprobity  1.000  
 10   10  tp        -69.9   -51.4  Favored    11  32.400     8  0.23    11  0.40  molprobity  1.000  
 11   11  ?        -117.5   -15.6  Favored     3  29.570     4  0.22     5  0.36  molprobity  1.000  
 12   12  t-20       67.4    43.1  Favored     6  31.370     8  0.27    11  0.25  molprobity  1.000  
 13   13  pt       -132.6   -14.5  Allowed    11  31.830     8  0.21    11  0.36  molprobity  1.000  
 14   14  m        -116.7   -87.4  Allowed     5  30.430     6  0.41     8  0.25  molprobity  1.000  
 15   15  mtm180    -69.5   -52.2  Favored    13  31.010    11  0.21    14  0.38  molprobity  1.000  
 16   16  p         -63.3   -41.6  Favored     5  29.290     6  0.44     9  0.80  molprobity  1.000  
 17   17  Cg_exo    -60.5   -38.9  Favored     7  31.180     8  0.28    11  0.26  molprobity  1.000  
 18   18  mt        -59.4   -58.3  Favored    11  29.150     8  0.19    11  0.36  molprobity  1.000  
 19   19  ?         -48.7   -43.7  Favored     5  27.570     5  0.25     7  0.30  molprobity  1.000  
 20   20  tt0       -58.3   -52.4  Favored     6  30.070     9  0.29    12  0.25  molprobity  1.000  
 21   21  ?         -72.9   -35.3  Favored     5  31.030     5  0.22     7  0.34  molprobity  1.000  
 22   22  t         -58.1   -51.0  Favored     9  29.940     7  0.20    10  0.41  molprobity  1.000  
 23   23  t80       -61.7   -44.5  Favored     9  30.540    12  0.34    16  0.28  molprobity  1.000  
 24   24  ttm105    -58.0   -37.3  Favored    13  32.810    11  0.21    14  0.61  molprobity  1.000  
 25   25  tttm      -63.2   -52.4  Favored    13  38.790     9  0.28    11  0.41  molprobity  1.000  
 26   26  pp        -81.0    -4.8  Favored    11  37.730     8  0.22    11  1.25  molprobity  1.000  
 27   27  m         -84.4   -35.1  Favored     9  38.490     7  0.16    10  0.31  molprobity  1.000  
 28   28  m         -64.0   -40.3  Favored     7  39.030     7  0.18    10  0.46  molprobity  1.000  
 29   29  m-20      -62.2   -35.8  Favored     4  38.860     8  0.21    11  0.23  molprobity  0.974  
 30   30  mm-40     -84.0    -2.1  Favored     6  50.950     9  0.23    12  0.40  molprobity  1.000  
 31   31  mmtt       63.0    30.7  Favored    13  50.240     9  0.28    11  0.38  molprobity  1.000  
 32   32  t        -118.7    18.4  Favored     9  50.230     7  0.23    10  0.49  molprobity  1.000  
 33   33  p         -75.2   -19.6  Favored     5  44.480     6  0.27     8  0.49  molprobity  1.000  
 34   34  m-20      -63.5   -28.8  Favored     4  57.620     8  0.24    11  0.25  molprobity  1.000  
 35   35  m-80      -94.1    15.0  Favored     6  51.950     8  0.26    11  0.45  molprobity  1.000  
 36   36  m95      -129.5   132.8  Favored    10  34.410    16  0.21    23  0.26  molprobity  1.000  
 37   37  ttt-85   -104.1   121.2  Favored    13  41.660    11  0.22    14  0.52  molprobity  1.000  
 38   38  mt       -126.5   142.4  Favored    11  30.960     8  0.26    11  0.42  molprobity  1.000  
 39   39  t0       -165.8   179.0  Favored     4  31.230     8  0.16    11  0.54  molprobity  1.000  
 40   40  p        -147.8   160.8  Favored     5  30.210     6  0.31     8  0.58  molprobity  1.000  
 41   41  ?        -158.2   170.4  Favored     5  29.080     5  0.31     7  0.71  molprobity  1.000  
 42   42  ?        -108.5   148.5  Favored     5  30.610     5  0.29     7  0.54  molprobity  1.000  
 43   43  p         -74.5   -37.7  Favored     7  32.910     7  0.21    10  0.49  molprobity  1.000  
 44   44  OUTLIER   -97.1  -177.6  Favored     5  35.990     6  0.18     8  0.56  molprobity  1.000  
 45   45  p        -117.4     0.4  Favored     7  37.340     7  0.23    10  0.61  molprobity  1.000  
 46   46  m-85      -66.3   -45.6  Favored     9  37.430    13  0.31    18  0.27  molprobity  1.000  
 47   47  m-85      -66.3   -45.6  Favored     9  37.430    13  0.31    18  0.27  molprobity  1.000  
 48   48  mm-40     -88.9     6.3  Favored     5  37.240     9  0.20    12  0.58  molprobity  0.982  
 49   49  p         -62.8   140.1  Favored     9  40.670     7  0.28    10  0.43  molprobity  1.000  
 50   50  ?          84.8     7.7  Favored     3  41.790     4  0.39     5  0.55  molprobity  1.000  
 51   51  m-20     -104.7   150.3  Favored     6  40.050     8  0.26    12  0.47  molprobity  1.000  
 52   52  Cg_endo   -78.8   168.9  Favored     7  37.940     8  0.33    12  0.29  molprobity  1.000  
 53   53  Cg_exo    -63.5   155.4  Favored     7  34.460     8  0.20    11  0.48  molprobity  1.000  
 54   54  t70       -49.8   130.2  Favored     4  34.520     8  0.15    11  0.36  molprobity  1.000  
 55   55  m-30      -61.3   -28.2  Favored     9  38.790    13  0.28    18  0.43  molprobity  0.976  
 56   56  mtm180    -58.5   -54.4  Favored    13  35.320    11  0.25    14  0.48  molprobity  1.000  
 57   57  ?         -59.1   -40.5  Favored     3  34.770     4  0.13     5  0.33  molprobity  1.000  
 58   58  tt0       -57.6   -31.4  Favored     8  42.840     9  0.25    12  0.30  molprobity  1.000  
 59   59  m-20      -76.9   -42.6  Favored     6  38.080     8  0.33    11  0.24  molprobity  1.000  
 60   60  t         -55.1   -48.5  Favored     5  36.190     6  0.37     8  0.31  molprobity  1.000  
 61   61  mmt       -62.5   -40.7  Favored     9  40.190     8  0.26    10  0.43  molprobity  1.000  
 62   62  ttp85     -59.8   -33.9  Favored    13  55.100    11  0.22    14  0.45  molprobity  1.000  
 63   63  mttt      -76.3   -21.2  Favored    13  46.930     9  0.28    11  0.46  molprobity  1.000  
 64   64  m-70     -104.4    22.5  Favored     7  39.410    11  0.18    15  0.33  molprobity  1.000  
 65   65  ?          62.9    27.7  Favored     3  47.350     4  0.19     5  0.37  molprobity  1.000  
 66   66  mm        -96.3   132.9  Favored    11  49.240     8  0.22    11  0.35  molprobity  1.000  
 67   67  m-70      -94.8    92.5  Favored     7  79.670    11  0.20    15  0.38  molprobity  0.983  
 68   68  ttp       -87.2   127.4  Favored     9  56.000     8  0.23    10  0.42  molprobity  1.000  
 69   69  pt20     -139.0    92.4  Favored     8  66.970     9  0.36    12  0.56  molprobity  1.000  
 70   70  t60      -151.3   145.2  Favored     7  50.750    11  0.18    15  0.52  molprobity  1.000  
 71   71  mm       -119.6   143.9  Favored    11  43.620     8  0.21    11  0.61  molprobity  1.000  
 72   72  ?         -66.8   138.5  Favored     5  36.260     5  0.22     7  0.36  molprobity  1.000  
 73   73  ptt85    -138.8   158.1  Favored    13  32.110    11  0.19    14  0.64  molprobity  1.000  
 74   74  tt0       -89.0   141.2  Favored     8  33.390     9  0.24    12  0.53  molprobity  1.000  
 75   75  tt        -54.2   149.6  Favored    11  32.050     8  0.23    11  0.36  molprobity  1.000  
 76   76  p        -123.2   166.1  Favored     7  33.600     7  0.19    10  0.66  molprobity  1.000  
 77   77  mtmt      -44.6   -49.7  Favored    13  43.640     9  0.28    11  0.49  molprobity  1.000  
 78   78  mp0       -75.3   -21.8  Favored     6  36.200     9  0.33    12  0.41  molprobity  0.937  
 79   79  m-20      -57.7   -45.0  Favored     4  30.730     8  0.19    11  0.26  molprobity  1.000  
 80   80  m-85      -60.6   -27.5  Favored     9  28.790    12  0.33    16  0.17  molprobity  1.000  
 81   81  ?         -88.9   -27.6  Favored     5  30.890     5  0.30     7  0.42  molprobity  1.000  
 82   82  p        -100.6   -28.8  Favored     7  29.630     7  0.21    10  0.71  molprobity  1.000  
 83   83  m-85      -90.0   134.2  Favored     9  29.680    12  0.42    16  0.28  molprobity  1.000  
 84   84  m-20      -72.0   -30.2  Favored     4  31.350     8  0.21    11  0.23  molprobity  1.000  
 85   85  m-85     -136.8   139.9  Favored     9  32.030    13  0.22    18  0.35  molprobity  1.000  
 86   86  mt       -122.9   104.5  Favored    11  26.080     8  0.28    11  0.63  molprobity  1.000  
 87   87  mt       -101.9   117.5  Favored    11  25.880     8  0.24    11  0.41  molprobity  1.000  
 88   88  p        -109.1  -176.7  Favored     5  28.590     6  0.41     8  0.47  molprobity  1.000  
 89   89  mmt      -107.2   -47.0  Favored     9  28.440     8  0.21    10  0.47  molprobity  1.000  
 90   90  p30      -134.3   169.9  Favored     4  28.900     8  0.16    11  0.51  molprobity  1.000  
 91   91  mm-40     -61.0   -29.4  Favored     6  32.480     9  0.27    12  0.37  molprobity  0.813  
 92   92  m         -62.9   -52.5  Favored     5  31.670     6  0.23     8  0.28  molprobity  1.000  
 93   93  m120      -51.2   -56.5  Favored     6  29.060     8  0.18    11  0.33  molprobity  1.000  
 94   94  tp        -52.5   -50.0  Favored    11  31.130     8  0.18    11  0.31  molprobity  1.000  
 95   95  ttt180    -54.7   -50.3  Favored    13  40.260    11  0.17    14  0.46  molprobity  1.000  
 96   96  m-20      -68.8   -32.6  Favored     4  32.860     8  0.22    11  0.32  molprobity  0.954  
 97   97  mt        -75.3   -39.5  Favored    11  29.770     8  0.21    11  0.31  molprobity  1.000  
 98   98  m-20      -59.1   -41.7  Favored     6  35.010     8  0.21    11  0.28  molprobity  1.000  
 99   99  mtp85     -65.2   -51.8  Favored    13  37.610    11  0.23    14  0.69  molprobity  1.000  
100  100  mttm      -58.8   -33.6  Favored    13  45.000     9  0.32    11  0.36  molprobity  1.000  
101  101  p         -64.6   -34.1  Favored     5  36.060     6  0.21     8  0.12  molprobity  1.000  
102  102  m-80      -82.8     5.8  Favored     6  38.850     8  0.24    11  0.37  molprobity  1.000  
103  103  mt-30    -121.1    16.2  Favored     8  40.500     9  0.21    12  0.32  molprobity  1.000  
104  104  m        -120.4   152.2  Favored     9  38.600     7  0.16    10  0.58  molprobity  1.000  
105  105  ptmt      -70.1   -32.4  Favored    13  50.850     9  0.32    11  0.49  molprobity  1.000  
106  106  m-20     -136.4   112.9  Favored     6  44.580     8  0.19    11  0.39  molprobity  1.000  
107  107  t        -119.8   104.7  Favored     5  34.010     6  0.18     8  0.38  molprobity  0.980  
108  108  ttpt      -81.3   -28.6  Favored    13  34.250     9  0.22    11  0.30  molprobity  1.000  
109  109  ?         -74.1   140.0  Favored     5  31.600     5  0.25     7  0.54  molprobity  1.000  
110  110  tttm      -91.7   117.8  Favored    13  38.240     9  0.28    11  0.58  molprobity  1.000  
111  111  mt        -99.0   115.3  Favored    11  28.800     8  0.22    11  0.50  molprobity  1.000  
112  112  mt-10    -135.7   167.3  Favored     6  30.250     9  0.26    12  0.60  molprobity  0.931  
113  113  mt        -82.6   129.3  Favored    11  30.240     8  0.21    11  0.49  molprobity  1.000  
114  114  tp        -51.1   -40.7  Favored    11  27.570     8  0.27    11  0.45  molprobity  1.000  
115  115  ?         -67.3   -18.2  Favored     3  32.650     4  0.18     5  0.45  molprobity  1.000  
116  116  p         -62.4   -18.6  Favored     5  34.850     6  0.25     8  0.23  molprobity  1.000  
117  117  m-85      -89.7     4.3  Favored     9  32.920    13  0.33    18  0.35  molprobity  1.000  
118  118  t0        -75.6   118.9  Favored     4  34.230     8  0.25    12  0.33  molprobity  1.000  
119  119  Cg_exo    -59.5   -24.3  Favored     7  32.940     8  0.24    11  0.29  molprobity  1.000  
120  120  mt-30     -85.8    -7.0  Favored     8  36.340     9  0.21    12  0.44  molprobity  1.000  
121  121  mmtt       67.3    29.3  Favored    13  41.850     9  0.27    11  0.34  molprobity  0.957  
122  122  mm-40     -84.7    88.8  Favored     8  45.250     9  0.30    12  0.72  molprobity  1.000  
123  123  tp        -70.8   -31.9  Favored    11  36.840     8  0.21    11  0.44  molprobity  1.000  
124  124  mm       -103.4   133.0  Favored    11  30.710     8  0.27    11  0.40  molprobity  1.000  
125  125  mt        -97.3    94.0  Favored    11  31.290     8  0.27    11  0.73  molprobity  1.000  
126  126  mm-40     -59.8   150.5  Favored     6  34.480     9  0.47    12  0.68  molprobity  1.000  
127  127  mm-40     -59.8   150.5  Favored     6  34.480     9  0.47    12  0.68  molprobity  1.000  
128  128  t0        -68.5   117.9  Favored     3  36.160     8  0.26    12  0.39  molprobity  1.000  
129  129  Cg_endo   -83.7     7.1  Favored     7  35.060     8  0.18    11  0.46  molprobity  1.000  
130  130  t80       -62.1   -38.2  Favored     9  44.820    13  0.51    18  0.33  molprobity  1.000  
131  131  m-85      -89.8    18.0  Favored     9  52.500    13  0.24    18  0.33  molprobity  1.000  
132  132  ?        -127.5  -153.9  Favored     3  47.800     4  0.42     5  0.67  molprobity  1.000  
133  133  p-10     -115.8  -171.0  Allowed     6  49.030     8  0.21    11  0.47  molprobity  1.000  
134  134  m-20      -62.2   -27.4  Favored     4  39.760     8  0.22    11  0.35  molprobity  0.884  
135  135  p         -71.4   -27.9  Favored     5  38.390     6  0.18     8  0.26  molprobity  1.000  
136  136  m-20      -67.0   -30.0  Favored     4  36.500     8  0.17    11  0.25  molprobity  0.950  
137  137  m-85      -76.2   -33.4  Favored     9  31.240    12  0.29    16  0.23  molprobity  1.000  
138  138  tp10      -62.4   -38.7  Favored     6  29.810     9  0.26    12  0.32  molprobity  0.976  
139  139  t         -65.0   -44.2  Favored     9  28.850     7  0.19    10  0.40  molprobity  1.000  
140  140  t         -60.7   -44.6  Favored     9  29.450     7  0.19    10  0.42  molprobity  1.000  
141  141  t80       -53.9   -54.7  Favored     9  31.280    13  0.24    18  0.26  molprobity  1.000  
142  142  mm-40     -59.6   -38.3  Favored     8  30.190     9  0.29    12  0.33  molprobity  1.000  
143  143  mt-30     -60.2   -51.2  Favored     8  30.040     9  0.24    12  0.31  molprobity  1.000  
144  144  m         -59.0   -34.4  Favored     5  27.280     6  0.20     8  0.24  molprobity  1.000  
145  145  tp        -66.0   -54.0  Favored    11  31.060     8  0.19    11  0.64  molprobity  1.000  
146  146  mtp180    -52.2   -55.6  Favored    13  30.760    11  0.18    14  0.39  molprobity  1.000  
147  147  m         -65.6   -43.0  Favored     5  28.230     6  0.20     8  0.31  molprobity  1.000  
148  148  m         -63.8   -45.8  Favored     5  30.070     6  0.19     8  0.31  molprobity  1.000  
149  149  mttt      -52.1   -57.9  Favored    13  39.370     9  0.21    11  0.31  molprobity  1.000  
150  150  ?         -58.0   -33.6  Favored     5  32.420     5  0.25     7  0.24  molprobity  1.000  
151  151  t80       -70.6   -48.2  Favored     9  33.000    12  0.33    16  0.26  molprobity  1.000  
152  152  tp        -57.4   -39.7  Favored    11  37.520     8  0.23    11  0.19  molprobity  1.000  
153  153  tt0       -65.5   -30.8  Favored     6  41.060     9  0.23    12  0.38  molprobity  0.886  
154  154  tttp      -62.8   -55.1  Favored    13  55.220     9  0.29    11  0.39  molprobity  0.999  
155  155  m             ?       ?  ?           7  59.750     6  0.37     7  0.75  molprobity  1.000  
156  156  ?             ?       ?  ?           2  73.660     4  0.19     5  0.31  molprobity  1.000  
157  157  OUTLIER  -151.3   133.2  Favored     5  67.080     6  0.30     8  0.43  molprobity  1.000  
158  158  mtmt     -105.0   155.4  Favored    13  60.090     9  0.25    11  0.38  molprobity  0.990  
159  159  p        -135.1   132.6  Favored     5  52.460     6  0.27     8  0.31  molprobity  1.000  
160  160  p        -138.8   130.3  Favored     9  40.900     7  0.17    10  0.41  molprobity  1.000  
161  161  tp       -117.6   121.1  Favored    11  36.930     8  0.21    11  0.57  molprobity  1.000  
162  162  m-85      -93.5   126.1  Favored     9  34.580    12  0.34    16  0.23  molprobity  1.000  
163  163  t        -122.4   136.0  Favored     9  38.600     7  0.18    10  0.48  molprobity  1.000  
164  164  p        -135.6  -166.8  Allowed     5  49.580     6  0.88     8  0.84  molprobity  1.000  
165  165  tp        -69.9   -51.7  Favored    11  51.540     8  0.29    11  0.36  molprobity  1.000  
166  166  ?        -108.1   -25.6  Favored     3  53.290     4  0.24     5  0.40  molprobity  1.000  
167  167  t-20       66.4    36.1  Favored     6  51.920     8  0.30    11  0.29  molprobity  1.000  
168  168  pt       -124.1   -21.4  Favored    11  53.310     8  0.30    11  0.52  molprobity  1.000  
169  169  m        -115.2   -77.6  Allowed     5  48.070     6  0.33     8  0.38  molprobity  0.973  
170  170  mtm180    -64.7   -58.9  Favored    13  48.040    11  0.17    14  0.45  molprobity  1.000  
171  171  p         -69.8   -34.6  Favored     5  45.420     6  0.40     9  0.57  molprobity  1.000  
172  172  Cg_exo    -56.5   -36.9  Favored     7  45.080     8  0.29    11  0.12  molprobity  1.000  
173  173  mt        -70.7   -48.4  Favored    11  40.850     8  0.20    11  0.39  molprobity  1.000  
174  174  ?         -56.2   -48.0  Favored     5  37.800     5  0.28     7  0.27  molprobity  1.000  
175  175  tt0       -53.1   -52.8  Favored     6  44.170     9  0.21    12  0.48  molprobity  1.000  
176  176  ?         -64.5   -36.6  Favored     5  39.700     5  0.25     7  0.35  molprobity  1.000  
177  177  t         -70.6   -38.1  Favored     9  36.990     7  0.23    10  0.46  molprobity  1.000  
178  178  t80       -70.3   -38.9  Favored     9  38.680    12  0.31    16  0.20  molprobity  1.000  
179  179  ttm105    -63.2   -46.6  Favored    13  47.560    11  0.23    14  0.71  molprobity  1.000  
180  180  tptm      -57.7   -39.8  Favored    13  53.630     9  0.25    11  0.29  molprobity  1.000  
181  181  tp        -70.8   -34.3  Favored    11  43.800     8  0.21    11  0.61  molprobity  1.000  
182  182  m         -81.6   -18.6  Favored     9  44.680     7  0.19    10  0.34  molprobity  1.000  
183  183  m         -74.9   -43.5  Favored     7  48.670     7  0.21    10  0.42  molprobity  1.000  
184  184  m-20      -62.8   -38.0  Favored     4  49.630     8  0.20    11  0.25  molprobity  0.938  
185  185  mm-40     -82.3    -3.6  Favored     6  52.710     9  0.30    12  0.43  molprobity  1.000  
186  186  mmtt       63.2    47.9  Favored    13  54.570     9  0.21    11  0.37  molprobity  1.000  
187  187  t        -131.6     6.9  Allowed     9  48.660     7  0.17    10  0.41  molprobity  1.000  
188  188  p         -65.0   -20.2  Favored     5  46.930     6  0.16     8  0.43  molprobity  1.000  
189  189  m-20      -65.2   -25.4  Favored     4  51.220     8  0.22    11  0.24  molprobity  1.000  
190  190  m-20     -104.7    20.2  Favored     6  56.400     8  0.21    11  0.36  molprobity  1.000  
191  191  m95      -136.8   125.7  Favored    10  44.050    16  0.16    23  0.24  molprobity  1.000  
192  192  ptm85    -104.1   121.5  Favored    13  58.070    11  0.27    14  0.76  molprobity  1.000  
193  193  mt       -126.4   134.8  Favored    11  40.930     8  0.19    11  0.48  molprobity  1.000  
194  194  t0       -148.8   174.6  Favored     4  42.670     8  0.15    11  0.48  molprobity  1.000  
195  195  p        -144.2   153.6  Favored     5  43.180     6  0.33     8  0.47  molprobity  1.000  
196  196  ?        -155.8   169.9  Favored     5  40.800     5  0.30     7  0.68  molprobity  1.000  
197  197  ?        -111.4   150.1  Favored     5  41.840     5  0.28     7  0.52  molprobity  1.000  
198  198  p         -78.4   -26.0  Favored     7  42.460     7  0.23    10  0.46  molprobity  1.000  
199  199  p        -117.8   173.4  Favored     5  49.350     6  0.28     8  0.56  molprobity  1.000  
200  200  p         -98.5     0.6  Favored     7  54.060     7  0.20    10  0.59  molprobity  1.000  
201  201  m-85      -48.4   -61.5  Allowed     9  61.540    13  0.28    18  0.48  molprobity  1.000  
202  202  mm-40    -106.1    14.0  Favored     6  57.740     9  0.24    12  0.54  molprobity  0.970  
203  203  m         -62.9   142.5  Favored     9  54.720     7  0.22    10  0.32  molprobity  1.000  
204  204  ?          93.4    -6.9  Favored     3  57.110     4  0.47     5  0.65  molprobity  1.000  
205  205  m-20     -103.5   155.8  Favored     6  60.980     8  0.24    12  0.38  molprobity  1.000  
206  206  Cg_endo   -77.9   170.6  Favored     7  57.790     8  0.32    12  0.34  molprobity  1.000  
207  207  Cg_exo    -55.8   156.8  Favored     7  52.940     8  0.16    11  0.44  molprobity  1.000  
208  208  t70       -62.3   135.4  Favored     4  50.840     8  0.18    11  0.36  molprobity  1.000  
209  209  m-85      -63.2   -36.0  Favored     9  74.560    13  0.25    18  0.29  molprobity  0.969  
210  210  mtm180    -55.5   -36.2  Favored    13  48.170    11  0.23    14  0.47  molprobity  1.000  
211  211  ?         -71.4   -44.6  Favored     3  46.870     4  0.12     5  0.30  molprobity  1.000  
212  212  mt-30     -57.6   -47.8  Favored     8  52.820     9  0.25    12  0.31  molprobity  1.000  
213  213  m-20      -66.0   -34.8  Favored     6  54.470     8  0.27    11  0.35  molprobity  1.000  
214  214  t         -62.9   -39.1  Favored     5  46.030     6  0.24     8  0.28  molprobity  1.000  
215  215  mmt       -71.7   -39.2  Favored     9  51.950     8  0.30    10  0.47  molprobity  1.000  
216  216  tpp180    -55.7   -35.5  Favored    13  68.420    11  0.25    14  0.55  molprobity  1.000  
217  217  ttmt      -60.5   -32.0  Favored    13  53.170     9  0.31    11  0.42  molprobity  1.000  
218  218  m80      -110.0    17.7  Favored     7  43.680    11  0.17    15  0.33  molprobity  1.000  
219  219  ?          63.4    39.3  Favored     3  49.510     4  0.30     5  0.26  molprobity  1.000  
220  220  mm       -102.2   130.5  Favored    11  56.090     8  0.21    11  0.49  molprobity  1.000  
221  221  m-70      -91.7    65.4  Favored     7  91.400    11  0.19    15  0.52  molprobity  0.924  
222  222  ttp       -55.4   144.0  Favored     9  72.450     8  0.19    10  0.30  molprobity  1.000  
223  223  pt20     -160.9    93.4  Allowed     8  69.120     9  0.39    12  0.54  molprobity  1.000  
224  224  t60      -148.9   152.3  Favored     7  72.450    11  0.14    15  0.54  molprobity  1.000  
225  225  mm       -128.0   128.8  Favored    11  56.650     8  0.23    11  0.60  molprobity  1.000  
226  226  ?         -64.3   136.7  Favored     5  51.960     5  0.21     7  0.35  molprobity  1.000  
227  227  ptt85    -137.1   158.5  Favored    13  42.980    11  0.19    14  0.65  molprobity  1.000  
228  228  tt0       -89.7   142.5  Favored     8  45.330     9  0.24    12  0.50  molprobity  1.000  
229  229  tt        -57.6   152.3  Favored    11  41.170     8  0.26    11  0.40  molprobity  1.000  
230  230  p        -122.9  -177.7  Favored     7  45.670     7  0.15    10  0.60  molprobity  1.000  
231  231  mttt      -72.2   -38.0  Favored    13  60.040     9  0.24    11  0.29  molprobity  1.000  
232  232  mp0       -71.7   -25.8  Favored     6  51.290     9  0.28    12  0.27  molprobity  0.930  
233  233  m-20      -59.1   -33.5  Favored     4  51.770     8  0.20    11  0.25  molprobity  1.000  
234  234  m-85      -67.9   -11.2  Favored     9  52.060    12  0.33    16  0.30  molprobity  1.000  
235  235  ?        -105.9   -32.0  Favored     5  63.950     5  0.32     7  0.53  molprobity  1.000  
236  236  p         -95.5    -5.8  Favored     7  60.060     7  0.19    10  0.69  molprobity  1.000  
237  237  m-85     -118.6   129.7  Favored     9  48.460    12  0.34    16  0.29  molprobity  1.000  
238  238  m-20      -74.2   -34.5  Favored     4  52.230     8  0.20    11  0.25  molprobity  1.000  
239  239  m-85     -128.3   136.2  Favored     9  47.040    13  0.24    18  0.42  molprobity  1.000  
240  240  mt       -116.9   111.6  Favored    11  39.520     8  0.30    11  0.63  molprobity  1.000  
241  241  mt       -110.0   121.8  Favored    11  36.490     8  0.26    11  0.41  molprobity  1.000  
242  242  p        -114.2   177.0  Favored     5  37.840     6  0.21     8  0.47  molprobity  1.000  
243  243  mmt      -101.2   -37.2  Favored     9  40.960     8  0.21    10  0.54  molprobity  1.000  
244  244  p30      -141.2   167.0  Favored     4  41.580     8  0.13    11  0.50  molprobity  1.000  
245  245  mm-40     -55.1   -35.0  Favored     6  45.200     9  0.24    12  0.34  molprobity  0.904  
246  246  OUTLIER   -62.6   -41.2  Favored     5  44.910     6  0.25     8  0.32  molprobity  1.000  
247  247  m120      -65.0   -44.5  Favored     6  45.700     8  0.25    11  0.24  molprobity  1.000  
248  248  tp        -57.8   -39.4  Favored    11  48.720     8  0.21    11  0.56  molprobity  1.000  
249  249  ttm105    -63.4   -50.5  Favored    13  55.040    11  0.25    14  0.98  molprobity  1.000  
250  250  m-20      -66.2   -38.3  Favored     4  54.000     8  0.21    11  0.27  molprobity  0.921  
251  251  mt        -76.2   -33.0  Favored    11  50.430     8  0.22    11  0.33  molprobity  1.000  
252  252  m-20      -63.7   -32.1  Favored     6  55.070     8  0.22    11  0.25  molprobity  1.000  
253  253  ttp-105   -67.2   -54.9  Favored    13  69.760    11  0.23    14  0.77  molprobity  1.000  
254  254  mttt      -65.3   -27.9  Favored    13  66.590     9  0.24    11  0.30  molprobity  1.000  
255  255  p         -66.3   -33.1  Favored     5  72.140     6  0.22     8  0.16  molprobity  1.000  
256  256  m-20      -85.6    24.0  Allowed     6  81.650     8  0.25    11  0.32  molprobity  1.000  
257  257  mm-40    -148.7    37.2  Allowed     8  79.950     9  0.23    12  0.52  molprobity  1.000  
258  258  OUTLIER  -135.4   152.8  Favored     9  76.810     7  0.16    10  0.55  molprobity  1.000  
259  259  tttt      -74.5   -32.7  Favored    13  90.700     9  0.25    11  0.48  molprobity  1.000  
260  260  m-80     -137.2   133.7  Favored     6  85.990     8  0.24    11  0.44  molprobity  1.000  
261  261  t        -132.9    84.8  Favored     5  73.120     6  0.19     8  0.55  molprobity  1.000  
262  262  ttpt      -74.2   -34.5  Favored    13  69.880     9  0.30    11  0.23  molprobity  1.000  
263  263  ?         -68.8   147.9  Favored     5  59.160     5  0.23     7  0.59  molprobity  1.000  
264  264  mmtp      -92.7   130.7  Favored    13  62.520     9  0.27    11  0.43  molprobity  1.000  
265  265  mt       -110.2   107.5  Favored    11  46.420     8  0.23    11  0.54  molprobity  1.000  
266  266  mt-10    -136.7   158.9  Favored     6  44.020     9  0.22    12  0.47  molprobity  0.970  
267  267  mt        -71.7   133.9  Favored    11  40.580     8  0.18    11  0.57  molprobity  1.000  
268  268  tp        -62.5   -36.4  Favored    11  36.590     8  0.29    11  0.37  molprobity  1.000  
269  269  ?         -66.3   -18.4  Favored     3  43.160     4  0.20     5  0.42  molprobity  1.000  
270  270  p         -67.8    -7.0  Favored     5  42.910     6  0.19     8  0.36  molprobity  1.000  
271  271  m-85     -101.5    -5.7  Favored     9  39.980    13  0.22    18  0.35  molprobity  1.000  
272  272  t0        -65.2   118.2  Favored     4  39.700     8  0.24    12  0.39  molprobity  1.000  
273  273  Cg_exo    -50.3   -40.8  Favored     7  41.430     8  0.25    11  0.18  molprobity  1.000  
274  274  mt-30     -71.1    -1.0  Favored     8  38.430     9  0.25    12  0.46  molprobity  1.000  
275  275  mmtt       65.4    17.9  Favored    13  43.810     9  0.24    11  0.44  molprobity  0.919  
276  276  tt0       -75.8   102.7  Favored     8  58.550     9  0.27    12  0.53  molprobity  1.000  
277  277  tp        -76.1   -32.2  Favored    11  51.290     8  0.22    11  0.55  molprobity  1.000  
278  278  mm       -108.0   127.6  Favored    11  48.070     8  0.22    11  0.43  molprobity  1.000  
279  279  mt        -93.7   106.0  Favored    11  42.160     8  0.23    11  0.57  molprobity  1.000  
280  280  mm-40     -89.2   143.0  Favored     6  54.360     9  0.24    12  0.40  molprobity  0.850  
281  281  t0        -58.5   118.2  Favored     4  54.640     8  0.30    12  0.37  molprobity  1.000  
282  282  Cg_endo   -90.5    14.0  Favored     7  48.610     8  0.15    11  0.57  molprobity  1.000  
283  283  t80       -62.2   -34.3  Favored     9  60.980    13  0.33    18  0.29  molprobity  1.000  
284  284  m-85      -98.9    22.1  Favored     9  53.790    13  0.31    18  0.30  molprobity  1.000  
285  285  ?        -110.6  -165.8  Favored     3  55.220     4  0.49     5  0.68  molprobity  1.000  
286  286  p-10     -108.5  -177.2  Favored     6  58.320     8  0.23    11  0.48  molprobity  1.000  
287  287  m-20      -54.8   -30.7  Favored     4  49.190     8  0.18    11  0.32  molprobity  0.942  
288  288  p         -69.9   -36.2  Favored     5  42.170     6  0.18     8  0.35  molprobity  1.000  
289  289  m-20      -57.4   -30.1  Favored     4  39.930     8  0.18    11  0.22  molprobity  0.956  
290  290  m-85      -75.6   -40.7  Favored     9  40.290    12  0.36    16  0.30  molprobity  1.000  
291  291  tp10      -60.3   -42.1  Favored     6  32.660     9  0.28    12  0.27  molprobity  0.962  
292  292  t         -51.9   -50.5  Favored     9  32.560     7  0.20    10  0.38  molprobity  1.000  
293  293  t         -61.7   -40.0  Favored     9  32.560     7  0.23    10  0.51  molprobity  1.000  
294  294  t80       -62.4   -38.6  Favored     9  34.240    13  0.27    18  0.25  molprobity  1.000  
295  295  mm-40     -67.1   -43.9  Favored     8  33.080     9  0.23    12  0.28  molprobity  1.000  
296  296  mt-30     -55.6   -52.5  Favored     8  37.820     9  0.25    12  0.32  molprobity  1.000  
297  297  m         -57.4   -44.9  Favored     5  34.850     6  0.48     8  0.27  molprobity  1.000  
298  298  tp        -63.1   -45.8  Favored    11  35.650     8  0.20    11  0.41  molprobity  1.000  
299  299  mtm-85    -59.9   -48.4  Favored    13  38.630    11  0.21    14  0.51  molprobity  1.000  
300  300  m         -66.4   -43.2  Favored     5  37.360     6  0.21     8  0.25  molprobity  1.000  
301  301  m         -62.7   -31.2  Favored     5  37.860     6  0.20     8  0.30  molprobity  1.000  
302  302  mttt      -73.7   -45.3  Favored    13  50.080     9  0.26    11  0.28  molprobity  1.000  
303  303  ?         -58.0   -54.4  Favored     5  43.590     5  0.25     7  0.32  molprobity  1.000  
304  304  t80       -48.5   -43.2  Favored     9  44.130    12  0.37    16  0.29  molprobity  1.000  
305  305  tp        -69.4   -46.8  Favored    11  47.740     8  0.22    11  0.62  molprobity  1.000  
306  306  tt0       -46.8   -45.6  Favored     6  52.490     9  0.20    12  0.44  molprobity  0.820  
307  307  mttt      -85.3    56.8  Favored    13  57.570     9  0.27    11  0.59  molprobity  0.977  
308  308  m             ?       ?  ?           7  70.520     6  0.28     7  0.59  molprobity  1.000  
309  309  ?             ?       ?  ?           ?  56.240     0     ?     0     ?  mogul       1.000  
310  310  ?             ?       ?  ?           ?  34.140     ?     ?     ?     ?  ?           1.000  
311  311  ?             ?       ?  ?           ?  34.770     ?     ?     ?     ?  ?           1.000  
312  312  ?             ?       ?  ?           ?  41.640     ?     ?     ?     ?  ?           1.000  
313  313  ?             ?       ?  ?           ?  30.110     ?     ?     ?     ?  ?           1.000  
314  314  ?             ?       ?  ?           ?  31.870     ?     ?     ?     ?  ?           1.000  
315  315  ?             ?       ?  ?           ?  32.520     ?     ?     ?     ?  ?           1.000  
316  316  ?             ?       ?  ?           ?  29.010     ?     ?     ?     ?  ?           1.000  
317  317  ?             ?       ?  ?           ?  29.040     ?     ?     ?     ?  ?           1.000  
318  318  ?             ?       ?  ?           ?  50.750     ?     ?     ?     ?  ?           1.000  
319  319  ?             ?       ?  ?           ?  37.650     ?     ?     ?     ?  ?           1.000  
320  320  ?             ?       ?  ?           ?  36.640     ?     ?     ?     ?  ?           1.000  
321  321  ?             ?       ?  ?           ?  38.950     ?     ?     ?     ?  ?           1.000  
322  322  ?             ?       ?  ?           ?  39.900     ?     ?     ?     ?  ?           1.000  
323  323  ?             ?       ?  ?           ?  48.240     ?     ?     ?     ?  ?           1.000  
324  324  ?             ?       ?  ?           ?  38.080     ?     ?     ?     ?  ?           1.000  
325  325  ?             ?       ?  ?           ?  46.630     ?     ?     ?     ?  ?           1.000  
326  326  ?             ?       ?  ?           ?  39.940     ?     ?     ?     ?  ?           1.000  
327  327  ?             ?       ?  ?           ?  37.900     ?     ?     ?     ?  ?           1.000  
328  328  ?             ?       ?  ?           ?  35.800     ?     ?     ?     ?  ?           1.000  
329  329  ?             ?       ?  ?           ?  34.970     ?     ?     ?     ?  ?           1.000  
330  330  ?             ?       ?  ?           ?  38.200     ?     ?     ?     ?  ?           1.000  
331  331  ?             ?       ?  ?           ?  40.180     ?     ?     ?     ?  ?           1.000  
332  332  ?             ?       ?  ?           ?  46.180     ?     ?     ?     ?  ?           1.000  
333  333  ?             ?       ?  ?           ?  41.570     ?     ?     ?     ?  ?           1.000  
334  334  ?             ?       ?  ?           ?  43.000     ?     ?     ?     ?  ?           1.000  
335  335  ?             ?       ?  ?           ?  45.160     ?     ?     ?     ?  ?           1.000  
336  336  ?             ?       ?  ?           ?  38.930     ?     ?     ?     ?  ?           1.000  
337  337  ?             ?       ?  ?           ?  36.770     ?     ?     ?     ?  ?           1.000  
338  338  ?             ?       ?  ?           ?  50.700     ?     ?     ?     ?  ?           1.000  
339  339  ?             ?       ?  ?           ?  44.070     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   12  OD1   1  0.46  2.41  
 2   26  HD12  2  0.43  2.00  
 3   32  O     3  0.50  2.11  
 4   32  HG12  3  0.50  2.11  
 5   56  NH1   4  0.53  2.42  
 6   70  NE2   1  0.46  2.41  
 7   70  H     5  0.41  1.86  
 8  132  O     4  0.53  2.42  
 9  152  HD22  2  0.43  2.00  
10  159  OG    6  0.51  2.38  
11  171  OG    7  0.44  2.17  
12  172  HD3   7  0.44  2.17  
13  176  HB1   8  0.43  2.01  
14  187  O     9  0.43  2.18  
15  187  HG12  9  0.43  2.18  
16  220  HG21  8  0.43  2.01  
17  223  HB2   5  0.41  1.86  
18  238  N     6  0.51  2.38  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   4  0.808  0.567   6.201  
  2    2   6  0.808  0.290   2.166  
  3    3   9  0.919  0.164  -0.428  
  4    4   6  0.951  0.120  -0.474  
  5    5   7  0.967  0.134  -0.434  
  6    6   8  0.982  0.126  -0.684  
  7    7  11  0.966  0.123  -0.590  
  8    8   7  0.967  0.186   0.437  
  9    9   6  0.919  0.149   0.331  
 10   10   8  0.934  0.177   0.148  
 11   11   4  0.936  0.127  -0.269  
 12   12   8  0.902  0.162   0.029  
 13   13   8  0.950  0.140  -0.433  
 14   14   6  0.961  0.104  -0.560  
 15   15  11  0.927  0.178  -0.072  
 16   16   6  0.967  0.109  -0.644  
 17   17   7  0.939  0.183   0.547  
 18   18   8  0.947  0.149  -0.283  
 19   19   5  0.978  0.148  -0.011  
 20   20   9  0.949  0.139  -0.617  
 21   21   5  0.948  0.145  -0.060  
 22   22   7  0.963  0.124  -0.601  
 23   23  11  0.945  0.142  -0.271  
 24   24  11  0.940  0.150  -0.443  
 25   25   9  0.929  0.192  -0.081  
 26   26   8  0.869  0.224   0.915  
 27   27   7  0.965  0.180   0.337  
 28   28   7  0.955  0.148  -0.065  
 29   29   8  0.907  0.174   0.159  
 30   30   9  0.942  0.139  -0.617  
 31   31   9  0.887  0.145  -0.663  
 32   32   7  0.927  0.176   0.270  
 33   33   6  0.933  0.138  -0.194  
 34   34   8  0.890  0.197   0.483  
 35   35   8  0.865  0.201   0.602  
 36   36  14  0.943  0.154   0.105  
 37   37  11  0.915  0.173  -0.138  
 38   38   8  0.950  0.148  -0.299  
 39   39   8  0.978  0.100  -0.883  
 40   40   6  0.912  0.187   0.567  
 41   41   5  0.923  0.167   0.297  
 42   42   5  0.975  0.098  -0.822  
 43   43   7  0.954  0.133  -0.308  
 44   44   6  0.949  0.118  -0.505  
 45   45   7  0.952  0.121  -0.503  
 46   46  24  0.831  0.308   2.728  
 47   47  24  0.831  0.308   2.728  
 48   48   9  0.915  0.149  -0.493  
 49   49   7  0.952  0.159  -0.015  
 50   50   4  0.947  0.099  -0.681  
 51   51   8  0.900  0.141  -0.279  
 52   52   7  0.963  0.119  -0.453  
 53   53   7  0.936  0.123  -0.391  
 54   54   8  0.945  0.104  -0.827  
 55   55  12  0.919  0.198   0.794  
 56   56  11  0.939  0.175  -0.111  
 57   57   4  0.976  0.101  -0.651  
 58   58   9  0.907  0.157  -0.259  
 59   59   8  0.939  0.170   0.147  
 60   60   6  0.944  0.166   0.667  
 61   61   8  0.947  0.137  -0.271  
 62   62  11  0.908  0.239   0.737  
 63   63   9  0.902  0.246   0.589  
 64   64  10  0.960  0.098  -0.874  
 65   65   4  0.965  0.113  -0.475  
 66   66   8  0.907  0.201   0.587  
 67   67  10  0.750  0.287   1.968  
 68   68   8  0.918  0.204   0.824  
 69   69   9  0.610  0.354   2.422  
 70   70  10  0.791  0.234   1.171  
 71   71   8  0.897  0.247   1.356  
 72   72   5  0.935  0.141  -0.125  
 73   73  11  0.956  0.142  -0.549  
 74   74   9  0.935  0.141  -0.476  
 75   75   8  0.918  0.180   0.236  
 76   76   7  0.951  0.143  -0.146  
 77   77   9  0.922  0.204   0.068  
 78   78   9  0.932  0.141  -0.593  
 79   79   8  0.946  0.135  -0.390  
 80   80  11  0.973  0.141  -0.288  
 81   81   5  0.970  0.107  -0.676  
 82   82   7  0.946  0.166   0.227  
 83   83  11  0.923  0.189   0.516  
 84   84   8  0.964  0.145  -0.249  
 85   85  12  0.937  0.178   0.443  
 86   86   8  0.955  0.136  -0.500  
 87   87   8  0.945  0.147  -0.341  
 88   88   6  0.946  0.136   0.073  
 89   89   8  0.966  0.133  -0.337  
 90   90   8  0.960  0.125  -0.531  
 91   91   9  0.933  0.168  -0.257  
 92   92   6  0.927  0.160   0.148  
 93   93   8  0.962  0.132  -0.411  
 94   94   8  0.973  0.181   0.214  
 95   95  11  0.921  0.184   0.008  
 96   96   8  0.950  0.162  -0.010  
 97   97   8  0.959  0.162  -0.096  
 98   98   8  0.947  0.161   0.015  
 99   99  11  0.921  0.177  -0.085  
100  100   9  0.937  0.185  -0.167  
101  101   6  0.959  0.110  -0.629  
102  102   8  0.936  0.132  -0.411  
103  103   9  0.950  0.145  -0.422  
104  104   7  0.942  0.145  -0.250  
105  105   9  0.921  0.253   0.675  
106  106   8  0.857  0.212   0.764  
107  107   6  0.929  0.142   0.192  
108  108   9  0.934  0.208   0.118  
109  109   5  0.979  0.120  -0.465  
110  110   9  0.922  0.159  -0.489  
111  111   8  0.966  0.141  -0.416  
112  112   9  0.939  0.190   0.016  
113  113   8  0.946  0.157  -0.178  
114  114   8  0.942  0.150  -0.292  
115  115   4  0.943  0.138  -0.107  
116  116   6  0.936  0.176   0.396  
117  117  12  0.951  0.142  -0.190  
118  118   8  0.947  0.124  -0.545  
119  119   7  0.954  0.138  -0.156  
120  120   9  0.958  0.219   0.585  
121  121   9  0.914  0.175  -0.291  
122  122   9  0.899  0.185   0.122  
123  123   8  0.967  0.161  -0.113  
124  124   8  0.942  0.145  -0.349  
125  125   8  0.959  0.163  -0.048  
126  126  18  0.881  0.202   0.165  
127  127  18  0.881  0.202   0.165  
128  128   8  0.946  0.134  -0.404  
129  129   7  0.924  0.157   0.141  
130  130  12  0.948  0.147  -0.102  
131  131  12  0.881  0.197   0.777  
132  132   4  0.880  0.233   1.290  
133  133   8  0.906  0.147  -0.191  
134  134   8  0.785  0.242   1.117  
135  135   6  0.914  0.161   0.163  
136  136   8  0.922  0.191   0.399  
137  137  11  0.931  0.159   0.013  
138  138   9  0.967  0.141  -0.593  
139  139   7  0.959  0.135  -0.417  
140  140   7  0.981  0.121  -0.652  
141  141  12  0.944  0.167   0.250  
142  142   9  0.936  0.152  -0.327  
143  143   9  0.961  0.151  -0.340  
144  144   6  0.964  0.113  -0.382  
145  145   8  0.949  0.180   0.197  
146  146  11  0.950  0.145  -0.509  
147  147   6  0.970  0.100  -0.640  
148  148   6  0.972  0.112  -0.402  
149  149   9  0.927  0.218   0.242  
150  150   5  0.970  0.142  -0.109  
151  151  11  0.952  0.169   0.181  
152  152   8  0.951  0.158  -0.162  
153  153   9  0.920  0.152  -0.456  
154  154   9  0.883  0.200   0.019  
155  155   7  0.839  0.238   1.396  
156  156   4  0.700  0.423   4.084  
157  157   6  0.826  0.159   0.132  
158  158   9  0.860  0.225   0.328  
159  159   6  0.829  0.156   0.085  
160  160   7  0.932  0.156  -0.065  
161  161   8  0.935  0.153  -0.243  
162  162  11  0.965  0.150  -0.137  
163  163   7  0.982  0.138  -0.367  
164  164   6  0.959  0.092  -0.798  
165  165   8  0.940  0.141  -0.439  
166  166   4  0.962  0.245   1.466  
167  167   8  0.948  0.121  -0.573  
168  168   8  0.918  0.176   0.169  
169  169   6  0.942  0.146   0.271  
170  170  11  0.873  0.192   0.114  
171  171   6  0.902  0.325   2.710  
172  172   7  0.842  0.188   0.625  
173  173   8  0.945  0.190   0.403  
174  174   5  0.966  0.116  -0.530  
175  175   9  0.877  0.180  -0.108  
176  176   5  0.971  0.165   0.264  
177  177   7  0.943  0.113  -0.786  
178  178  11  0.957  0.109  -0.824  
179  179  11  0.927  0.173  -0.138  
180  180   9  0.901  0.282   1.035  
181  181   8  0.943  0.182   0.230  
182  182   7  0.959  0.147  -0.216  
183  183   7  0.964  0.129  -0.373  
184  184   8  0.937  0.189   0.370  
185  185   9  0.870  0.171  -0.220  
186  186   9  0.843  0.260   0.762  
187  187   7  0.815  0.205   0.755  
188  188   6  0.917  0.109  -0.644  
189  189   8  0.894  0.125  -0.531  
190  190   8  0.902  0.145  -0.220  
191  191  14  0.922  0.169   0.386  
192  192  11  0.824  0.216   0.432  
193  193   8  0.880  0.187   0.353  
194  194   8  0.920  0.159  -0.052  
195  195   6  0.950  0.117  -0.520  
196  196   5  0.912  0.151   0.037  
197  197   5  0.933  0.177   0.459  
198  198   7  0.941  0.136  -0.260  
199  199   6  0.928  0.136  -0.225  
200  200   7  0.944  0.133  -0.308  
201  201  12  0.887  0.256   1.814  
202  202   9  0.906  0.175  -0.170  
203  203   7  0.948  0.163   0.052  
204  204   4  0.884  0.223   1.143  
205  205   8  0.886  0.264   1.527  
206  206   7  0.971  0.126  -0.344  
207  207   7  0.894  0.182   0.531  
208  208   8  0.885  0.193   0.427  
209  209  12  0.915  0.209   0.988  
210  210  11  0.942  0.143  -0.536  
211  211   4  0.961  0.161   0.231  
212  212   9  0.900  0.186   0.136  
213  213   8  0.920  0.207   0.690  
214  214   6  0.934  0.114  -0.362  
215  215   8  0.879  0.353   3.258  
216  216  11  0.816  0.346   2.156  
217  217   9  0.901  0.172  -0.328  
218  218  10  0.935  0.141  -0.227  
219  219   4  0.896  0.140  -0.078  
220  220   8  0.928  0.217   0.855  
221  221  10  0.687  0.575   6.299  
222  222   8  0.871  0.306   2.490  
223  223   9  0.581  0.299   1.673  
224  224  10  0.633  0.351   2.931  
225  225   8  0.766  0.267   1.691  
226  226   5  0.942  0.168   0.313  
227  227  11  0.934  0.138  -0.602  
228  228   9  0.941  0.175  -0.014  
229  229   8  0.938  0.143  -0.383  
230  230   7  0.950  0.147  -0.081  
231  231   9  0.891  0.197  -0.019  
232  232   9  0.851  0.188  -0.009  
233  233   8  0.917  0.200   0.525  
234  234  11  0.916  0.164   0.097  
235  235   5  0.944  0.167   0.297  
236  236   7  0.913  0.193   0.666  
237  237  11  0.913  0.154  -0.070  
238  238   8  0.887  0.148  -0.207  
239  239  12  0.866  0.183   0.531  
240  240   8  0.959  0.139  -0.450  
241  241   8  0.954  0.168   0.002  
242  242   6  0.949  0.155   0.450  
243  243   8  0.934  0.148  -0.092  
244  244   8  0.931  0.144  -0.263  
245  245   9  0.906  0.157  -0.394  
246  246   6  0.909  0.155   0.070  
247  247   8  0.909  0.185   0.367  
248  248   8  0.974  0.182   0.230  
249  249  11  0.899  0.150  -0.443  
250  250   8  0.922  0.232   0.976  
251  251   8  0.912  0.143  -0.406  
252  252   8  0.931  0.155  -0.073  
253  253  11  0.885  0.253   0.923  
254  254   9  0.776  0.196  -0.031  
255  255   6  0.903  0.280   2.011  
256  256   8  0.752  0.265   1.542  
257  257   9  0.775  0.324   2.014  
258  258   7  0.695  0.229   1.157  
259  259   9  0.432  0.569   4.591  
260  260   8  0.717  0.305   2.129  
261  261   6  0.701  0.162   0.588  
262  262   9  0.863  0.236   0.465  
263  263   5  0.961  0.157   0.135  
264  264   9  0.872  0.309   1.369  
265  265   8  0.947  0.211   0.754  
266  266   9  0.942  0.140  -0.605  
267  267   8  0.947  0.145  -0.374  
268  268   8  0.871  0.197   0.475  
269  269   4  0.919  0.223   1.143  
270  270   6  0.883  0.203   0.815  
271  271  12  0.930  0.158   0.091  
272  272   8  0.944  0.138  -0.348  
273  273   7  0.945  0.137  -0.172  
274  274   9  0.952  0.114  -0.844  
275  275   9  0.942  0.168  -0.378  
276  276   9  0.822  0.267   1.238  
277  277   8  0.918  0.247   1.290  
278  278   8  0.928  0.170   0.069  
279  279   8  0.977  0.142  -0.400  
280  280   9  0.929  0.215   0.327  
281  281   8  0.876  0.136  -0.376  
282  282   7  0.959  0.187   0.609  
283  283  12  0.847  0.195   0.742  
284  284  12  0.868  0.223   1.234  
285  285   4  0.953  0.090  -0.813  
286  286   8  0.898  0.161   0.015  
287  287   8  0.927  0.148  -0.207  
288  288   6  0.914  0.146  -0.070  
289  289   8  0.956  0.127  -0.503  
290  290  11  0.969  0.180   0.365  
291  291   9  0.948  0.164  -0.307  
292  292   7  0.972  0.139  -0.350  
293  293   7  0.964  0.209   0.822  
294  294  12  0.962  0.124  -0.506  
295  295   9  0.961  0.157  -0.259  
296  296   9  0.948  0.169  -0.095  
297  297   6  0.971  0.143   0.212  
298  298   8  0.956  0.148  -0.325  
299  299  11  0.893  0.186   0.034  
300  300   6  0.962  0.136   0.073  
301  301   6  0.950  0.096  -0.719  
302  302   9  0.900  0.275   0.948  
303  303   5  0.894  0.188   0.637  
304  304  11  0.953  0.141  -0.288  
305  305   8  0.928  0.155  -0.210  
306  306   9  0.920  0.154  -0.431  
307  307   9  0.914  0.227   0.353  
308  308   7  0.748  0.204   0.844  
309  309   4  0.946  0.104       ?  
310  310   1  0.963  0.126       ?  
311  311   1  0.640  0.232       ?  
312  312   1  0.824  0.288       ?  
313  313   1  0.932  0.186       ?  
314  314   1  0.975  0.148       ?  
315  315   1  0.977  0.452       ?  
316  316   1  0.964  0.232       ?  
317  317   1  0.969  0.119       ?  
318  318   1  0.438  0.366       ?  
319  319   1  0.851  0.299       ?  
320  320   1  0.563  0.470       ?  
321  321   1  0.827  0.490       ?  
322  322   1  0.855  0.195       ?  
323  323   1  0.664  0.300       ?  
324  324   1  0.842  0.230       ?  
325  325   1  0.778  0.281       ?  
326  326   1  0.980  0.453       ?  
327  327   1  0.839  0.324       ?  
328  328   1  0.940  0.345       ?  
329  329   1  0.857  0.290       ?  
330  330   1  0.949  0.267       ?  
331  331   1  0.840  0.142       ?  
332  332   1  0.758  0.204       ?  
333  333   1  0.901  0.208       ?  
334  334   1  0.738  0.259       ?  
335  335   1  0.854  0.252       ?  
336  336   1  0.960  0.149       ?  
337  337   1  0.863  0.249       ?  
338  338   1  0.912  0.435       ?  
339  339   1  0.920  0.189       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
