data_7DY8

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7DY8
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7DY8
_pdbx_vrpt_summary.PDB_deposition_date         2021-01-20
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-20:14:39
_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      Ferritin  
2  non-polymer  "FE (III) ION"  
3  non-polymer  "CALCIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
E  3  
F  2  
G  2  
H  3  
I  3  
J  3  
K  3  
L  4  
M  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.103  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   51.28  141614     ?     ?  
 2  2  1   52.57    5710  2.10  2.10  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5647  2.10  2.10  
 5  1  3   90.76  138945     ?     ?  
 6  2  3   93.89    5648  2.10  2.10  
 7  1  4   52.61  127900     ?     ?  
 8  2  4   58.67    5083  2.10  2.10  
 9  1  5   27.11  130704     ?     ?  
10  2  5   23.74    5197  2.10  2.10  
#
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  H  100.00  
 2  4  2  A  1  1  H  100.00  
 3  5  3  A  1  1  H   83.60  
 4  6  3  A  1  1  H   88.26  
 5  7  4  A  1  1  H   57.00  
 6  8  4  A  1  1  H   62.38  
 7  3  2  B  1  1  A  100.00  
 8  4  2  B  1  1  A  100.00  
 9  5  3  B  1  1  A  100.00  
10  6  3  B  1  1  A  100.00  
11  7  4  B  1  1  A   48.56  
12  8  4  B  1  1  A   55.07  
#
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  H  0.51  0.42  1394  1876  
2  1  1  B  A  0.52  0.42  1389  1869  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.35
_pdbx_vrpt_summary_geometry.clashscore                     5.59
_pdbx_vrpt_summary_geometry.num_H_reduce                   2632
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2783
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.42
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3745
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.52
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            42.126
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         32.056
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.63(2.10A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        21541
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.367
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.483
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.316
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.945
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.10
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.05
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[51.885,30.841,21.841,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.862
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.26% 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         4
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         98.50
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1997
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.27
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.77
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        29.05
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
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    2  MET  H    2  .  ?        ?  
  2  1  1  A    3  VAL  H    3  .  ?        ?  
  3  1  1  A    4  ILE  H    4  .  ?        1  
  4  1  1  A    5  SER  H    5  .  ?        ?  
  5  1  1  A    6  GLU  H    6  .  ?        ?  
  6  1  1  A    7  LYS  H    7  .  ?        2  
  7  1  1  A    8  VAL  H    8  .  ?        ?  
  8  1  1  A    9  ARG  H    9  .  ?        2  
  9  1  1  A   10  LYS  H   10  .  ?        ?  
 10  1  1  A   11  ALA  H   11  .  ?        ?  
 11  1  1  A   12  LEU  H   12  .  ?        ?  
 12  1  1  A   13  ASN  H   13  .  ?        ?  
 13  1  1  A   14  ASP  H   14  .  ?        ?  
 14  1  1  A   15  GLN  H   15  .  ?        ?  
 15  1  1  A   16  LEU  H   16  .  ?        ?  
 16  1  1  A   17  ASN  H   17  .  ?        ?  
 17  1  1  A   18  ARG  H   18  .  ?        ?  
 18  1  1  A   19  GLU  H   19  .  ?        ?  
 19  1  1  A   20  ILE  H   20  .  ?        ?  
 20  1  1  A   21  TYR  H   21  .  ?        ?  
 21  1  1  A   22  SER  H   22  .  ?        ?  
 22  1  1  A   23  SER  H   23  .  ?        1  
 23  1  1  A   24  TYR  H   24  .  ?        ?  
 24  1  1  A   25  LEU  H   25  .  ?        ?  
 25  1  1  A   26  TYR  H   26  .  ?        ?  
 26  1  1  A   27  LEU  H   27  .  ?        ?  
 27  1  1  A   28  SER  H   28  .  ?        ?  
 28  1  1  A   29  MET  H   29  .  ?        ?  
 29  1  1  A   30  ALA  H   30  .  ?        ?  
 30  1  1  A   31  THR  H   31  .  ?        ?  
 31  1  1  A   32  TYR  H   32  .  ?        ?  
 32  1  1  A   33  PHE  H   33  .  ?        ?  
 33  1  1  A   34  ASP  H   34  .  ?        ?  
 34  1  1  A   35  ALA  H   35  .  ?        1  
 35  1  1  A   36  GLU  H   36  .  ?        ?  
 36  1  1  A   37  GLY  H   37  .  ?        ?  
 37  1  1  A   38  PHE  H   38  .  ?        2  
 38  1  1  A   39  LYS  H   39  .  ?        ?  
 39  1  1  A   40  GLY  H   40  .  ?        ?  
 40  1  1  A   41  PHE  H   41  .  ?        ?  
 41  1  1  A   42  ALA  H   42  .  ?        ?  
 42  1  1  A   43  HIS  H   43  .  ?        ?  
 43  1  1  A   44  TRP  H   44  .  ?        ?  
 44  1  1  A   45  MET  H   45  .  ?        ?  
 45  1  1  A   46  LYS  H   46  .  ?        ?  
 46  1  1  A   47  LYS  H   47  .  ?        ?  
 47  1  1  A   48  GLN  H   48  .  ?        1  
 48  1  1  A   49  ALA  H   49  .  ?        ?  
 49  1  1  A   50  GLN  H   50  .  ?        ?  
 50  1  1  A   51  GLU  H   51  .  ?        ?  
 51  1  1  A   52  GLU  H   52  .  ?        2  
 52  1  1  A   53  LEU  H   53  .  ?        ?  
 53  1  1  A   54  THR  H   54  .  ?        ?  
 54  1  1  A   55  HIS  H   55  .  ?        ?  
 55  1  1  A   56  ALA  H   56  .  ?        ?  
 56  1  1  A   57  MET  H   57  .  ?        ?  
 57  1  1  A   58  LYS  H   58  .  ?        2  
 58  1  1  A   59  PHE  H   59  .  ?        ?  
 59  1  1  A   60  TYR  H   60  .  ?        ?  
 60  1  1  A   61  GLU  H   61  .  ?        ?  
 61  1  1  A   62  TYR  H   62  .  ?        ?  
 62  1  1  A   63  ILE  H   63  .  ?        ?  
 63  1  1  A   64  TYR  H   64  .  ?        ?  
 64  1  1  A   65  GLU  H   65  .  ?        ?  
 65  1  1  A   66  ARG  H   66  .  ?        1  
 66  1  1  A   67  GLY  H   67  .  ?        ?  
 67  1  1  A   68  GLY  H   68  .  ?        ?  
 68  1  1  A   69  ARG  H   69  .  ?        2  
 69  1  1  A   70  VAL  H   70  .  ?        1  
 70  1  1  A   71  GLU  H   71  .  ?        ?  
 71  1  1  A   72  LEU  H   72  .  ?        ?  
 72  1  1  A   73  GLU  H   73  .  ?        ?  
 73  1  1  A   74  ALA  H   74  .  ?        ?  
 74  1  1  A   75  ILE  H   75  .  ?        1  
 75  1  1  A   76  GLU  H   76  .  ?        ?  
 76  1  1  A   77  LYS  H   77  .  ?        ?  
 77  1  1  A   78  PRO  H   78  .  ?        ?  
 78  1  1  A   79  PRO  H   79  .  ?        ?  
 79  1  1  A   80  SER  H   80  .  ?        1  
 80  1  1  A   81  ASN  H   81  A  ?        1  
 81  1  1  A   81  ASN  H   81  B  ?        ?  
 82  1  1  A   82  TRP  H   82  .  ?        ?  
 83  1  1  A   83  ASN  H   83  .  ?        ?  
 84  1  1  A   84  GLY  H   84  .  ?        ?  
 85  1  1  A   85  ILE  H   85  .  ?        2  
 86  1  1  A   86  LYS  H   86  .  ?        1  
 87  1  1  A   87  ASP  H   87  .  ?        ?  
 88  1  1  A   88  ALA  H   88  .  ?        ?  
 89  1  1  A   89  PHE  H   89  .  ?        ?  
 90  1  1  A   90  GLU  H   90  .  ?        ?  
 91  1  1  A   91  ALA  H   91  .  ?        ?  
 92  1  1  A   92  ALA  H   92  .  ?        ?  
 93  1  1  A   93  LEU  H   93  .  ?        ?  
 94  1  1  A   94  LYS  H   94  .  ?        ?  
 95  1  1  A   95  HIS  H   95  .  ?        ?  
 96  1  1  A   96  GLU  H   96  .  ?        ?  
 97  1  1  A   97  GLU  H   97  .  ?        ?  
 98  1  1  A   98  PHE  H   98  .  ?        ?  
 99  1  1  A   99  VAL  H   99  .  ?        ?  
100  1  1  A  100  THR  H  100  .  ?        ?  
101  1  1  A  101  GLN  H  101  .  ?        ?  
102  1  1  A  102  SER  H  102  .  ?        ?  
103  1  1  A  103  ILE  H  103  .  ?        ?  
104  1  1  A  104  TYR  H  104  .  ?        ?  
105  1  1  A  105  ASN  H  105  .  ?        ?  
106  1  1  A  106  ILE  H  106  .  ?        ?  
107  1  1  A  107  LEU  H  107  .  ?        ?  
108  1  1  A  108  GLU  H  108  .  ?        ?  
109  1  1  A  109  LEU  H  109  .  ?        ?  
110  1  1  A  110  ALA  H  110  .  ?        ?  
111  1  1  A  111  SER  H  111  .  ?        ?  
112  1  1  A  112  LEU  H  112  .  ?        ?  
113  1  1  A  113  ALA  H  113  .  ?        ?  
114  1  1  A  114  LEU  H  114  .  ?        ?  
115  1  1  A  115  ASP  H  115  .  ?        ?  
116  1  1  A  116  HIS  H  116  .  ?        ?  
117  1  1  A  117  ALA  H  117  .  ?        ?  
118  1  1  A  118  THR  H  118  .  ?        ?  
119  1  1  A  119  VAL  H  119  .  ?        ?  
120  1  1  A  120  SER  H  120  .  ?        ?  
121  1  1  A  121  PHE  H  121  .  ?        ?  
122  1  1  A  122  LEU  H  122  .  ?        ?  
123  1  1  A  123  LYS  H  123  .  ?        ?  
124  1  1  A  124  TRP  H  124  .  ?        1  
125  1  1  A  125  PHE  H  125  .  ?        2  
126  1  1  A  126  VAL  H  126  .  ?        ?  
127  1  1  A  127  ASP  H  127  .  ?        ?  
128  1  1  A  128  GLU  H  128  .  ?        2  
129  1  1  A  129  GLN  H  129  .  ?        ?  
130  1  1  A  130  VAL  H  130  .  ?        ?  
131  1  1  A  131  GLU  H  131  .  ?        2  
132  1  1  A  132  GLU  H  132  .  ?        1  
133  1  1  A  133  GLU  H  133  .  ?        ?  
134  1  1  A  134  ASP  H  134  .  ?        ?  
135  1  1  A  135  GLN  H  135  .  ?        ?  
136  1  1  A  136  VAL  H  136  .  ?        ?  
137  1  1  A  137  ARG  H  137  .  ?        ?  
138  1  1  A  138  GLU  H  138  .  ?        1  
139  1  1  A  139  ILE  H  139  .  ?        ?  
140  1  1  A  140  LEU  H  140  .  ?        ?  
141  1  1  A  141  ASP  H  141  .  ?        ?  
142  1  1  A  142  LEU  H  142  .  ?        1  
143  1  1  A  143  LEU  H  143  .  ?        ?  
144  1  1  A  144  GLU  H  144  .  ?        1  
145  1  1  A  145  LYS  H  145  .  ?        ?  
146  1  1  A  146  ALA  H  146  .  ?        ?  
147  1  1  A  147  PHE  H  147  .  ?        ?  
148  1  1  A  148  GLY  H  148  .  ?        ?  
149  1  1  A  149  GLN  H  149  .  ?        ?  
150  1  1  A  150  MET  H  150  .  ?        ?  
151  1  1  A  151  SER  H  151  .  ?        ?  
152  1  1  A  152  VAL  H  152  .  ?        ?  
153  1  1  A  153  ILE  H  153  .  ?        ?  
154  1  1  A  154  PHE  H  154  .  ?        ?  
155  1  1  A  155  GLN  H  155  .  ?        ?  
156  1  1  A  156  LEU  H  156  .  ?        ?  
157  1  1  A  157  ASP  H  157  .  ?        ?  
158  1  1  A  158  ARG  H  158  .  ?        ?  
159  1  1  A  159  TYR  H  159  .  ?        ?  
160  1  1  A  160  LEU  H  160  .  ?        ?  
161  1  1  A  161  GLY  H  161  .  ?        ?  
162  1  1  A  162  GLN  H  162  .  ?        ?  
163  1  1  A  163  ARG  H  163  .  ?        ?  
164  1  1  A  164  GLU  H  164  .  ?        ?  
165  1  1  B    3  VAL  A    3  .  ?        1  
166  1  1  B    4  ILE  A    4  .  ?        1  
167  1  1  B    5  SER  A    5  .  ?        ?  
168  1  1  B    6  GLU  A    6  .  ?        ?  
169  1  1  B    7  LYS  A    7  .  ?        ?  
170  1  1  B    8  VAL  A    8  .  ?        ?  
171  1  1  B    9  ARG  A    9  .  ?        ?  
172  1  1  B   10  LYS  A   10  .  ?        ?  
173  1  1  B   11  ALA  A   11  .  ?        ?  
174  1  1  B   12  LEU  A   12  .  ?        ?  
175  1  1  B   13  ASN  A   13  .  ?        ?  
176  1  1  B   14  ASP  A   14  .  ?        ?  
177  1  1  B   15  GLN  A   15  .  ?        1  
178  1  1  B   16  LEU  A   16  .  ?        ?  
179  1  1  B   17  ASN  A   17  .  ?        ?  
180  1  1  B   18  ARG  A   18  .  ?        1  
181  1  1  B   19  GLU  A   19  .  ?        1  
182  1  1  B   20  ILE  A   20  .  ?        ?  
183  1  1  B   21  TYR  A   21  .  ?        ?  
184  1  1  B   22  SER  A   22  .  ?        ?  
185  1  1  B   23  SER  A   23  .  ?        ?  
186  1  1  B   24  TYR  A   24  .  ?        ?  
187  1  1  B   25  LEU  A   25  .  ?        ?  
188  1  1  B   26  TYR  A   26  .  ?        ?  
189  1  1  B   27  LEU  A   27  .  ?        ?  
190  1  1  B   28  SER  A   28  .  ?        ?  
191  1  1  B   29  MET  A   29  .  ?        ?  
192  1  1  B   30  ALA  A   30  .  ?        ?  
193  1  1  B   31  THR  A   31  .  ?        ?  
194  1  1  B   32  TYR  A   32  .  ?        ?  
195  1  1  B   33  PHE  A   33  .  ?        ?  
196  1  1  B   34  ASP  A   34  .  ?        ?  
197  1  1  B   35  ALA  A   35  .  ?        1  
198  1  1  B   36  GLU  A   36  .  ?        ?  
199  1  1  B   37  GLY  A   37  .  ?        ?  
200  1  1  B   38  PHE  A   38  .  ?        1  
201  1  1  B   39  LYS  A   39  .  ?        ?  
202  1  1  B   40  GLY  A   40  .  ?        ?  
203  1  1  B   41  PHE  A   41  .  ?        1  
204  1  1  B   42  ALA  A   42  .  ?        ?  
205  1  1  B   43  HIS  A   43  .  ?        ?  
206  1  1  B   44  TRP  A   44  .  ?        ?  
207  1  1  B   45  MET  A   45  .  ?        ?  
208  1  1  B   46  LYS  A   46  .  ?        ?  
209  1  1  B   47  LYS  A   47  .  ?        ?  
210  1  1  B   48  GLN  A   48  .  ?        ?  
211  1  1  B   49  ALA  A   49  .  ?        ?  
212  1  1  B   50  GLN  A   50  .  ?        1  
213  1  1  B   51  GLU  A   51  .  ?        ?  
214  1  1  B   52  GLU  A   52  .  ?        ?  
215  1  1  B   53  LEU  A   53  .  ?        ?  
216  1  1  B   54  THR  A   54  .  ?        1  
217  1  1  B   55  HIS  A   55  .  ?        ?  
218  1  1  B   56  ALA  A   56  .  ?        ?  
219  1  1  B   57  MET  A   57  .  ?        ?  
220  1  1  B   58  LYS  A   58  .  ?        ?  
221  1  1  B   59  PHE  A   59  .  ?        ?  
222  1  1  B   60  TYR  A   60  .  ?        ?  
223  1  1  B   61  GLU  A   61  .  ?        ?  
224  1  1  B   62  TYR  A   62  .  ?        ?  
225  1  1  B   63  ILE  A   63  .  ?        ?  
226  1  1  B   64  TYR  A   64  .  ?        ?  
227  1  1  B   65  GLU  A   65  .  ?        ?  
228  1  1  B   66  ARG  A   66  .  ?        2  
229  1  1  B   67  GLY  A   67  .  ?        ?  
230  1  1  B   68  GLY  A   68  .  ?        ?  
231  1  1  B   69  ARG  A   69  A  ?        1  
232  1  1  B   69  ARG  A   69  B  ?        3  
233  1  1  B   70  VAL  A   70  .  ?        1  
234  1  1  B   71  GLU  A   71  .  ?        ?  
235  1  1  B   72  LEU  A   72  .  ?        ?  
236  1  1  B   73  GLU  A   73  .  ?        ?  
237  1  1  B   74  ALA  A   74  .  ?        ?  
238  1  1  B   75  ILE  A   75  .  ?        1  
239  1  1  B   76  GLU  A   76  .  ?        ?  
240  1  1  B   77  LYS  A   77  .  ?        ?  
241  1  1  B   78  PRO  A   78  .  ?        ?  
242  1  1  B   79  PRO  A   79  .  ?        ?  
243  1  1  B   80  SER  A   80  .  ?        ?  
244  1  1  B   81  ASN  A   81  .  ?        ?  
245  1  1  B   82  TRP  A   82  .  ?        ?  
246  1  1  B   83  ASN  A   83  .  ?        ?  
247  1  1  B   84  GLY  A   84  .  ?        ?  
248  1  1  B   85  ILE  A   85  .  ?        2  
249  1  1  B   86  LYS  A   86  .  ?        ?  
250  1  1  B   87  ASP  A   87  .  ?        ?  
251  1  1  B   88  ALA  A   88  .  ?        ?  
252  1  1  B   89  PHE  A   89  .  ?        ?  
253  1  1  B   90  GLU  A   90  .  ?        ?  
254  1  1  B   91  ALA  A   91  .  ?        ?  
255  1  1  B   92  ALA  A   92  .  ?        ?  
256  1  1  B   93  LEU  A   93  .  ?        ?  
257  1  1  B   94  LYS  A   94  .  ?        ?  
258  1  1  B   95  HIS  A   95  .  ?        ?  
259  1  1  B   96  GLU  A   96  .  ?        ?  
260  1  1  B   97  GLU  A   97  .  ?        ?  
261  1  1  B   98  PHE  A   98  .  ?        ?  
262  1  1  B   99  VAL  A   99  .  ?        ?  
263  1  1  B  100  THR  A  100  .  ?        ?  
264  1  1  B  101  GLN  A  101  .  ?        ?  
265  1  1  B  102  SER  A  102  .  ?        ?  
266  1  1  B  103  ILE  A  103  .  ?        ?  
267  1  1  B  104  TYR  A  104  .  ?        ?  
268  1  1  B  105  ASN  A  105  .  ?        ?  
269  1  1  B  106  ILE  A  106  .  ?        1  
270  1  1  B  107  LEU  A  107  .  ?        1  
271  1  1  B  108  GLU  A  108  .  ?        ?  
272  1  1  B  109  LEU  A  109  .  ?        ?  
273  1  1  B  110  ALA  A  110  .  ?        ?  
274  1  1  B  111  SER  A  111  .  ?        ?  
275  1  1  B  112  LEU  A  112  .  ?        ?  
276  1  1  B  113  ALA  A  113  .  ?        ?  
277  1  1  B  114  LEU  A  114  .  ?        ?  
278  1  1  B  115  ASP  A  115  .  ?        ?  
279  1  1  B  116  HIS  A  116  .  ?        ?  
280  1  1  B  117  ALA  A  117  .  ?        ?  
281  1  1  B  118  THR  A  118  .  ?        ?  
282  1  1  B  119  VAL  A  119  .  ?        1  
283  1  1  B  120  SER  A  120  .  ?        ?  
284  1  1  B  121  PHE  A  121  .  ?        ?  
285  1  1  B  122  LEU  A  122  .  ?        1  
286  1  1  B  123  LYS  A  123  .  ?        ?  
287  1  1  B  124  TRP  A  124  .  ?        ?  
288  1  1  B  125  PHE  A  125  .  ?        ?  
289  1  1  B  126  VAL  A  126  .  ?        ?  
290  1  1  B  127  ASP  A  127  .  ?        ?  
291  1  1  B  128  GLU  A  128  .  ?        ?  
292  1  1  B  129  GLN  A  129  .  ?        ?  
293  1  1  B  130  VAL  A  130  .  ?        ?  
294  1  1  B  131  GLU  A  131  .  ?        ?  
295  1  1  B  132  GLU  A  132  .  ?        ?  
296  1  1  B  133  GLU  A  133  .  ?        ?  
297  1  1  B  134  ASP  A  134  .  ?        ?  
298  1  1  B  135  GLN  A  135  .  ?        ?  
299  1  1  B  136  VAL  A  136  .  ?        ?  
300  1  1  B  137  ARG  A  137  .  ?        ?  
301  1  1  B  138  GLU  A  138  .  ?        ?  
302  1  1  B  139  ILE  A  139  .  ?        ?  
303  1  1  B  140  LEU  A  140  .  ?        ?  
304  1  1  B  141  ASP  A  141  .  ?        ?  
305  1  1  B  142  LEU  A  142  .  ?        ?  
306  1  1  B  143  LEU  A  143  .  ?        ?  
307  1  1  B  144  GLU  A  144  .  ?        ?  
308  1  1  B  145  LYS  A  145  .  ?        ?  
309  1  1  B  146  ALA  A  146  .  ?        ?  
310  1  1  B  147  PHE  A  147  .  ?        ?  
311  1  1  B  148  GLY  A  148  .  ?        ?  
312  1  1  B  149  GLN  A  149  .  ?        ?  
313  1  1  B  150  MET  A  150  .  ?        ?  
314  1  1  B  151  SER  A  151  .  ?        ?  
315  1  1  B  152  VAL  A  152  .  ?        ?  
316  1  1  B  153  ILE  A  153  .  ?        ?  
317  1  1  B  154  PHE  A  154  .  ?        ?  
318  1  1  B  155  GLN  A  155  .  ?        ?  
319  1  1  B  156  LEU  A  156  .  ?        ?  
320  1  1  B  157  ASP  A  157  .  ?        ?  
321  1  1  B  158  ARG  A  158  .  ?        ?  
322  1  1  B  159  TYR  A  159  .  ?        ?  
323  1  1  B  160  LEU  A  160  .  ?        ?  
324  1  1  B  161  GLY  A  161  .  ?        ?  
325  1  1  B  162  GLN  A  162  .  ?        ?  
326  1  1  B  163  ARG  A  163  .  ?        ?  
327  1  1  B  164  GLU  A  164  .  ?        ?  
328  1  2  C    .  FE   H  201  .  ?        ?  
329  1  2  D    .  FE   H  202  .  ?        ?  
330  1  3  E    .  CA   H  203  .  ?        ?  
331  1  2  F    .  FE   A  201  .  ?        ?  
332  1  2  G    .  FE   A  202  .  ?        ?  
333  1  3  H    .  CA   A  203  .  ?        ?  
334  1  3  I    .  CA   A  204  .  ?        ?  
335  1  3  J    .  CA   A  205  .  ?        ?  
336  1  3  K    .  CA   A  206  .  ?        ?  
337  1  4  L    .  HOH  H  301  .  ?        ?  
338  1  4  L    .  HOH  H  302  .  ?        ?  
339  1  4  L    .  HOH  H  303  .  ?        ?  
340  1  4  L    .  HOH  H  304  .  ?        ?  
341  1  4  L    .  HOH  H  305  .  ?        ?  
342  1  4  L    .  HOH  H  306  .  ?        ?  
343  1  4  L    .  HOH  H  307  .  ?        ?  
344  1  4  L    .  HOH  H  308  .  ?        ?  
345  1  4  L    .  HOH  H  309  .  ?        ?  
346  1  4  L    .  HOH  H  310  .  ?        ?  
347  1  4  M    .  HOH  A  301  .  ?        1  
348  1  4  M    .  HOH  A  302  .  ?        ?  
349  1  4  M    .  HOH  A  303  .  ?        ?  
350  1  4  M    .  HOH  A  304  .  ?        ?  
351  1  4  M    .  HOH  A  305  .  ?        ?  
352  1  4  M    .  HOH  A  306  .  ?        ?  
353  1  4  M    .  HOH  A  307  .  ?        ?  
354  1  4  M    .  HOH  A  308  .  ?        ?  
355  1  4  M    .  HOH  A  309  .  ?        ?  
356  1  4  M    .  HOH  A  310  .  ?        ?  
357  1  4  M    .  HOH  A  311  .  ?        ?  
358  1  4  M    .  HOH  A  312  .  ?        ?  
359  1  4  M    .  HOH  A  313  .  ?        ?  
360  1  4  M    .  HOH  A  314  .  ?        ?  
361  1  4  M    .  HOH  A  315  .  ?        ?  
362  1  4  M    .  HOH  A  316  .  ?        ?  
#
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  tpt           ?       ?  ?           8  67.800     8  0.27    10  0.56  molprobity  1.000  
  2    2  m         -72.6   148.5  Favored     9  56.930     7  0.29    10  0.49  molprobity  1.000  
  3    3  pt        -69.5   147.6  Favored    11  50.790     8  0.34    11  0.57  molprobity  1.000  
  4    4  p         -62.8   157.8  Favored     5  48.270     6  0.23     8  0.52  molprobity  1.000  
  5    5  tp10      -65.7   -38.0  Favored     6  56.150     9  0.65    12  0.67  molprobity  1.000  
  6    6  tptt      -70.3   -41.0  Favored    13  54.670     9  0.83    11  0.54  molprobity  1.000  
  7    7  t         -64.4   -35.1  Favored     9  43.750     7  0.31    10  0.39  molprobity  1.000  
  8    8  OUTLIER   -60.8   -51.5  Favored    13  47.430    11  0.29    14  0.63  molprobity  1.000  
  9    9  tptt      -52.5   -48.0  Favored    13  50.570     9  0.26    11  0.38  molprobity  1.000  
 10   10  ?         -67.6   -42.0  Favored     5  37.490     5  0.30     7  0.36  molprobity  1.000  
 11   11  mt        -61.7   -41.5  Favored    11  35.450     8  0.40    11  0.53  molprobity  1.000  
 12   12  t30       -65.2   -39.4  Favored     6  35.260     8  0.53    11  0.36  molprobity  1.000  
 13   13  m-20      -60.1   -45.3  Favored     4  38.430     8  0.16    11  0.46  molprobity  1.000  
 14   14  tp60      -63.8   -41.6  Favored     8  38.090     9  0.31    12  0.38  molprobity  1.000  
 15   15  tt        -50.0   -50.6  Favored    11  31.730     8  0.20    11  0.47  molprobity  1.000  
 16   16  m-80      -66.9   -31.3  Favored     6  32.870     8  0.49    11  0.38  molprobity  1.000  
 17   17  mtm-85    -71.6   -30.9  Favored    13  39.910    11  0.28    14  0.63  molprobity  1.000  
 18   18  mm-40     -68.6   -30.5  Favored     6  37.530     9  1.01    12  0.78  molprobity  1.000  
 19   19  mm        -67.3   -49.4  Favored    11  30.760     8  0.18    11  0.40  molprobity  1.000  
 20   20  t80       -57.8   -43.9  Favored     9  31.070    13  0.52    18  0.66  molprobity  1.000  
 21   21  t         -56.6   -44.0  Favored     5  31.750     6  0.52     8  0.66  molprobity  1.000  
 22   22  t         -62.8   -38.7  Favored     5  28.560     6  0.85     8  0.79  molprobity  1.000  
 23   23  t80       -70.7   -38.9  Favored     9  30.230    13  0.26    18  0.53  molprobity  1.000  
 24   24  tp        -59.2   -51.7  Favored    11  27.910     8  0.42    11  0.74  molprobity  1.000  
 25   25  m-85      -57.6   -41.8  Favored     9  34.240    13  0.42    18  0.68  molprobity  1.000  
 26   26  tp        -60.6   -40.6  Favored    11  27.860     8  0.47    11  0.57  molprobity  1.000  
 27   27  t         -61.6   -38.3  Favored     5  29.210     6  0.30     8  0.45  molprobity  1.000  
 28   28  mtt       -61.4   -38.1  Favored     9  31.850     8  0.32    10  0.44  molprobity  1.000  
 29   29  ?         -58.8   -40.1  Favored     5  27.640     5  0.35     7  0.53  molprobity  1.000  
 30   30  p         -60.0   -33.6  Favored     7  28.460     7  0.42    10  0.50  molprobity  1.000  
 31   31  t80       -73.7   -50.0  Favored     9  36.640    13  0.33    18  0.39  molprobity  1.000  
 32   32  m-85      -63.0   -40.2  Favored     9  34.050    12  0.43    16  0.37  molprobity  1.000  
 33   33  m-20      -62.3   -41.2  Favored     4  31.050     8  0.31    11  0.43  molprobity  1.000  
 34   34  ?         -67.8   -36.7  Favored     5  31.780     5  0.22     7  0.34  molprobity  1.000  
 35   35  mm-40     -75.2   -11.0  Favored     6  38.520     9  0.37    12  0.55  molprobity  1.000  
 36   36  ?          91.5    24.1  Favored     3  35.010     4  0.25     5  0.76  molprobity  1.000  
 37   37  m-85     -108.7    85.8  Favored     9  33.750    12  0.65    16  0.56  molprobity  1.000  
 38   38  tttp      -59.4   -35.6  Favored    13  42.940     9  0.36    11  0.91  molprobity  1.000  
 39   39  ?         -71.4   -47.7  Favored     3  34.270     4  0.23     5  0.20  molprobity  1.000  
 40   40  m-85      -57.6   -45.4  Favored     9  36.480    12  0.58    16  0.23  molprobity  1.000  
 41   41  ?         -56.2   -47.2  Favored     5  30.160     5  0.23     7  0.21  molprobity  1.000  
 42   42  t60       -56.4   -45.1  Favored     7  33.780    11  0.38    15  0.37  molprobity  1.000  
 43   43  t90       -61.2   -41.9  Favored    10  33.630    16  0.52    23  0.24  molprobity  1.000  
 44   44  mmt       -65.2   -33.8  Favored     9  32.240     8  0.46    10  0.55  molprobity  1.000  
 45   45  mttt      -68.8   -45.9  Favored    13  29.560     9  0.41    11  0.34  molprobity  1.000  
 46   46  mmtt      -53.8   -49.5  Favored    13  36.900     9  0.36    11  0.61  molprobity  1.000  
 47   47  tp60      -61.1   -40.0  Favored     8  34.240     9  0.55    12  0.39  molprobity  1.000  
 48   48  ?         -61.8   -45.4  Favored     5  28.640     5  0.30     7  0.36  molprobity  1.000  
 49   49  mt-30     -60.3   -43.6  Favored     8  43.140     9  0.24    12  0.33  molprobity  1.000  
 50   50  tt0       -59.8   -42.7  Favored     6  34.170     9  0.48    12  0.41  molprobity  1.000  
 51   51  mm-40     -61.0   -33.8  Favored     6  33.810     9  0.74    12  0.39  molprobity  1.000  
 52   52  mt        -66.7   -39.7  Favored    11  33.360     8  0.29    11  0.76  molprobity  1.000  
 53   53  m         -63.9   -33.5  Favored     7  34.940     7  0.39    10  0.39  molprobity  1.000  
 54   54  m-70      -69.7   -43.4  Favored     7  37.050    11  0.21    15  0.27  molprobity  1.000  
 55   55  ?         -57.1   -43.1  Favored     5  31.550     5  0.29     7  0.35  molprobity  1.000  
 56   56  mmm       -71.3   -26.4  Favored     9  31.510     8  0.54    10  0.60  molprobity  1.000  
 57   57  mttt      -64.4   -45.1  Favored    13  42.200     9  0.26    11  0.30  molprobity  1.000  
 58   58  m-85      -59.9   -43.3  Favored     9  35.680    12  0.45    16  0.20  molprobity  1.000  
 59   59  t80       -51.1   -56.8  Favored     9  33.480    13  0.78    18  0.60  molprobity  1.000  
 60   60  mm-40     -71.3   -29.5  Favored     6  37.740     9  0.51    12  0.68  molprobity  1.000  
 61   61  t80       -66.9   -38.2  Favored     9  37.280    13  0.41    18  0.40  molprobity  1.000  
 62   62  mt        -61.6   -41.4  Favored    11  35.640     8  0.28    11  0.40  molprobity  1.000  
 63   63  m-85      -72.5   -36.1  Favored     9  34.260    13  0.57    18  0.50  molprobity  1.000  
 64   64  mt-10     -57.9   -33.7  Favored     6  49.460     9  0.36    12  0.34  molprobity  1.000  
 65   65  mmm-85    -92.1    14.2  Favored    13  42.630    11  0.58    14  0.57  molprobity  1.000  
 66   66  ?          74.6    22.9  Favored     3  38.020     4  0.36     5  0.69  molprobity  1.000  
 67   67  ?         -98.2  -176.0  Favored     3  34.980     4  0.45     5  0.58  molprobity  1.000  
 68   68  ttm-85   -133.2   157.4  Favored    13  42.570    11  0.29    14  0.64  molprobity  1.000  
 69   69  t        -105.7   136.4  Favored     9  33.850     7  0.58    10  0.43  molprobity  1.000  
 70   70  tt0      -121.9   120.6  Favored     6  41.650     9  0.62    12  0.40  molprobity  1.000  
 71   71  mt        -85.8   131.7  Favored    11  35.240     8  0.35    11  0.36  molprobity  1.000  
 72   72  mm-40    -104.3   168.6  Favored     6  38.300     9  0.74    12  0.58  molprobity  1.000  
 73   73  ?         -55.7   144.7  Favored     5  35.940     5  0.31     7  0.35  molprobity  1.000  
 74   74  mt       -105.7   116.6  Favored    11  35.390     8  0.39    11  0.60  molprobity  1.000  
 75   75  tp10      -63.3   147.0  Favored     6  42.690     9  0.84    12  0.43  molprobity  1.000  
 76   76  tttt      -61.2   129.1  Favored    13  40.230     9  0.28    12  0.50  molprobity  1.000  
 77   77  Cg_endo   -86.0   165.8  Favored     7  34.220     8  0.51    12  0.28  molprobity  1.000  
 78   78  Cg_exo    -62.3   146.3  Favored     7  39.140     8  0.18    11  0.46  molprobity  1.000  
 79   79  p        -113.8    -4.9  Favored     5  38.840     6  0.46     8  0.56  molprobity  1.000  
 80   80  m-20     -138.0   145.0  Favored     6  36.060     8  0.33    11  0.45  molprobity  1.000  
 81   81  m-20     -138.0   145.0  Favored     6  36.060     8  0.33    11  0.45  molprobity  1.000  
 82   82  m-90     -134.4   155.7  Favored     9  40.210    16  0.24    23  0.45  molprobity  1.000  
 83   83  t-20      -94.0    69.8  Favored     6  59.380     8  0.32    11  0.64  molprobity  1.000  
 84   84  ?         115.8   155.6  Favored     3  45.370     4  0.33     5  0.68  molprobity  1.000  
 85   85  mm        -50.7   -43.1  Favored    11  44.110     8  0.28    11  0.43  molprobity  1.000  
 86   86  mtmm      -71.7   -44.3  Favored    13  49.630     9  0.29    11  0.54  molprobity  1.000  
 87   87  t0        -51.5   -41.9  Favored     4  43.900     8  0.29    11  0.37  molprobity  1.000  
 88   88  ?         -62.8   -50.0  Favored     5  36.610     5  0.27     7  0.28  molprobity  1.000  
 89   89  m-85      -69.5   -26.4  Favored     9  39.430    12  0.55    16  0.33  molprobity  1.000  
 90   90  mt-10     -64.9   -43.9  Favored     6  47.620     9  0.31    12  0.42  molprobity  1.000  
 91   91  ?         -64.7   -34.4  Favored     5  37.310     5  0.30     7  0.37  molprobity  1.000  
 92   92  ?         -61.0   -44.5  Favored     5  36.400     5  0.35     7  0.37  molprobity  1.000  
 93   93  tp        -66.2   -47.6  Favored    11  36.050     8  0.37    11  0.26  molprobity  1.000  
 94   94  tttt      -55.3   -41.7  Favored    13  48.810     9  0.35    11  0.40  molprobity  1.000  
 95   95  t60       -61.2   -50.5  Favored     7  36.070    11  0.17    15  0.29  molprobity  1.000  
 96   96  mm-40     -66.2   -36.2  Favored     6  37.560     9  0.24    12  0.41  molprobity  1.000  
 97   97  mt-10     -55.0   -49.6  Favored     6  42.470     9  0.30    12  0.35  molprobity  1.000  
 98   98  t80       -64.3   -34.1  Favored     9  47.370    12  0.33    16  0.37  molprobity  1.000  
 99   99  t         -65.6   -38.8  Favored     9  40.380     7  0.43    10  0.38  molprobity  1.000  
100  100  m         -57.7   -52.4  Favored     7  41.660     7  0.23    10  0.45  molprobity  1.000  
101  101  mm-40     -56.9   -38.5  Favored     8  50.260     9  0.55    12  0.28  molprobity  1.000  
102  102  m         -59.7   -47.4  Favored     5  39.590     6  0.33     8  0.17  molprobity  1.000  
103  103  mm        -62.3   -43.5  Favored    11  42.190     8  0.40    11  1.48  molprobity  1.000  
104  104  m-85      -65.4   -36.2  Favored     9  38.230    13  0.30    18  0.58  molprobity  1.000  
105  105  m-20      -59.9   -46.6  Favored     6  40.150     8  0.62    11  0.33  molprobity  1.000  
106  106  mt        -63.6   -37.2  Favored    11  40.890     8  0.29    11  0.38  molprobity  1.000  
107  107  tp        -60.1   -42.4  Favored    11  42.920     8  0.30    11  0.37  molprobity  1.000  
108  108  tt0       -68.8   -41.4  Favored     6  46.570     9  0.54    12  0.37  molprobity  1.000  
109  109  tp        -59.5   -43.2  Favored    11  41.690     8  0.31    11  0.67  molprobity  1.000  
110  110  ?         -62.9   -43.1  Favored     5  40.120     5  0.22     7  0.15  molprobity  1.000  
111  111  t         -59.2   -53.6  Favored     5  43.170     6  0.24     8  0.34  molprobity  1.000  
112  112  mt        -45.6   -42.6  Favored    11  44.730     8  0.25    11  0.83  molprobity  1.000  
113  113  ?         -80.2     0.3  Favored     5  42.800     5  0.46     7  0.59  molprobity  1.000  
114  114  mt         61.1    33.2  Favored    11  45.460     8  0.28    11  0.59  molprobity  1.000  
115  115  t0        -99.7    81.1  Favored     4  43.640     8  0.27    11  0.89  molprobity  1.000  
116  116  t60       -61.7   -34.2  Favored     7  40.220    11  0.16    15  0.34  molprobity  1.000  
117  117  ?         -60.9   -46.2  Favored     5  38.590     5  0.25     7  0.35  molprobity  1.000  
118  118  m         -70.1   -37.0  Favored     7  36.970     7  0.39    10  0.59  molprobity  1.000  
119  119  t         -60.4   -44.6  Favored     9  38.870     7  0.37    10  0.33  molprobity  1.000  
120  120  m         -66.1   -35.7  Favored     5  40.110     6  0.29     8  0.44  molprobity  1.000  
121  121  t80       -62.1   -48.9  Favored     9  40.910    12  0.41    16  0.28  molprobity  1.000  
122  122  mt        -64.5   -18.7  Favored    11  37.500     8  0.24    11  0.50  molprobity  1.000  
123  123  tptp      -56.5   -50.2  Favored    13  45.820     9  0.45    11  0.42  molprobity  1.000  
124  124  t90       -57.5   -41.1  Favored    10  53.120    16  0.54    23  0.28  molprobity  1.000  
125  125  m-85      -72.3   -44.2  Favored     9  46.860    12  0.55    16  0.37  molprobity  1.000  
126  126  t         -48.5   -53.5  Favored     9  40.450     7  0.70    10  0.54  molprobity  1.000  
127  127  m-20      -62.4   -41.3  Favored     4  42.920     8  0.44    11  0.60  molprobity  1.000  
128  128  mm-40     -77.3   -31.5  Favored     6  53.350     9  0.43    12  0.49  molprobity  1.000  
129  129  tp60      -63.3   -40.7  Favored     8  41.350     9  0.35    12  0.47  molprobity  1.000  
130  130  t         -64.9   -45.0  Favored     9  41.950     7  0.30    10  0.32  molprobity  1.000  
131  131  pt-20     -60.1   -42.5  Favored     6  53.350     9  0.66    12  0.59  molprobity  1.000  
132  132  pt-20     -81.8   -24.1  Favored     6  46.870     9  0.87    12  1.01  molprobity  1.000  
133  133  tt0       -62.3   -40.4  Favored     6  49.560     9  0.65    12  0.44  molprobity  1.000  
134  134  m-20      -72.8   -30.2  Favored     4  48.880     8  0.26    11  0.35  molprobity  1.000  
135  135  mt-30     -66.9   -40.1  Favored     8  50.130     9  0.30    12  0.34  molprobity  1.000  
136  136  t         -65.2   -36.6  Favored     9  46.270     7  0.24    10  0.53  molprobity  1.000  
137  137  ttp180    -68.6   -38.4  Favored    13  46.830    11  0.50    14  0.80  molprobity  1.000  
138  138  tt0       -59.8   -42.2  Favored     6  56.270     9  0.50    12  0.42  molprobity  1.000  
139  139  mt        -61.2   -52.1  Favored    11  44.240     8  0.35    11  0.42  molprobity  1.000  
140  140  tp        -58.4   -37.1  Favored    11  47.920     8  0.22    11  0.54  molprobity  1.000  
141  141  t70       -67.5   -35.7  Favored     4  57.360     8  0.34    11  0.38  molprobity  1.000  
142  142  mt        -62.8   -41.1  Favored    11  51.400     8  0.26    11  0.50  molprobity  1.000  
143  143  mt        -71.6   -30.8  Favored    11  55.720     8  0.28    11  0.56  molprobity  1.000  
144  144  mm-40     -71.5   -37.9  Favored     6  63.550     9  0.18    12  0.30  molprobity  1.000  
145  145  mttt      -71.6   -17.7  Favored    13  60.670     9  0.24    11  0.39  molprobity  1.000  
146  146  ?         -72.4   -24.4  Favored     5  60.000     5  0.40     7  0.28  molprobity  1.000  
147  147  m-85       52.5  -100.8  Allowed     9  70.010    12  0.48    16  0.57  molprobity  1.000  
148  148  ?         -95.3   -23.3  Favored     3  62.790     4  0.32     5  0.47  molprobity  1.000  
149  149  tt0       -53.8   103.2  Allowed     8  54.720     9  0.26    12  0.47  molprobity  1.000  
150  150  ttm       -49.0   -44.0  Favored     9  45.150     8  0.35    10  1.30  molprobity  1.000  
151  151  t         -54.3   -39.0  Favored     5  44.870     6  0.32     8  0.59  molprobity  1.000  
152  152  t         -83.2   -36.7  Favored     9  45.110     7  0.21    10  0.43  molprobity  1.000  
153  153  mt        -57.4   -44.2  Favored    11  44.990     8  0.20    11  0.39  molprobity  1.000  
154  154  m-85      -67.3   -38.5  Favored     9  42.200    12  0.42    16  0.40  molprobity  1.000  
155  155  tm0?      -62.3   -36.1  Favored     8  50.610     9  0.38    12  0.31  molprobity  1.000  
156  156  mm?       -60.6   -41.5  Favored    11  43.200     8  0.22    11  0.59  molprobity  1.000  
157  157  t70       -60.0   -47.9  Favored     4  37.820     8  0.28    11  0.68  molprobity  1.000  
158  158  mtm-85    -59.3   -41.1  Favored    13  44.140    11  0.37    14  0.68  molprobity  1.000  
159  159  t80       -60.7   -61.5  Favored     9  52.490    13  0.24    18  0.31  molprobity  1.000  
160  160  mt        -62.4   -27.5  Favored    11  38.280     8  0.32    11  1.05  molprobity  1.000  
161  161  ?         -61.2   -15.2  Favored     3  38.370     4  0.25     5  0.43  molprobity  1.000  
162  162  mt-30     -95.6    -3.8  Favored     8  55.400     9  0.30    12  0.49  molprobity  1.000  
163  163  ttt180    -53.4   127.7  Favored    13  40.210    11  0.22    14  0.45  molprobity  1.000  
164  164  tp10          ?       ?  ?           6  65.540     9  0.30     9  0.33  molprobity  1.000  
165  165  p             ?       ?  ?           8  55.550     7  0.52    10  0.19  molprobity  1.000  
166  166  tt        -79.3   146.2  Favored    11  47.250     8  0.24    11  0.54  molprobity  1.000  
167  167  p         -74.9   149.0  Favored     5  40.760     6  0.18     8  0.52  molprobity  1.000  
168  168  tp10      -58.7   -40.1  Favored     6  43.380     9  0.49    12  0.52  molprobity  1.000  
169  169  mtpt      -66.2   -33.8  Favored    13  48.500     9  0.19    11  0.30  molprobity  1.000  
170  170  t         -76.7   -36.9  Favored     9  37.590     7  0.16    10  0.56  molprobity  1.000  
171  171  ttp85     -62.0   -43.0  Favored    13  38.620    11  0.41    14  0.59  molprobity  1.000  
172  172  tptp      -60.2   -40.5  Favored    13  41.740     9  0.32    11  0.25  molprobity  1.000  
173  173  ?         -62.9   -44.3  Favored     5  34.700     5  0.24     7  0.21  molprobity  1.000  
174  174  mt        -64.7   -36.6  Favored    11  32.450     8  0.37    11  0.37  molprobity  1.000  
175  175  t30       -67.3   -41.0  Favored     6  36.700     8  0.24    11  0.30  molprobity  1.000  
176  176  m-20      -58.5   -41.2  Favored     4  38.380     8  0.23    11  0.38  molprobity  1.000  
177  177  tp60      -70.3   -37.2  Favored     8  35.260     9  0.40    12  0.23  molprobity  1.000  
178  178  tt        -55.0   -50.2  Favored    11  29.680     8  0.24    11  0.63  molprobity  1.000  
179  179  m-80      -62.5   -36.9  Favored     6  30.770     8  0.40    11  0.55  molprobity  1.000  
180  180  mtm-85    -63.9   -39.6  Favored    13  36.730    11  0.48    14  0.60  molprobity  1.000  
181  181  mm-40     -60.1   -40.4  Favored     6  33.490     9  0.58    12  0.31  molprobity  1.000  
182  182  mm        -62.1   -51.5  Favored    11  29.450     8  0.39    11  0.42  molprobity  1.000  
183  183  t80       -54.5   -42.7  Favored     9  33.440    13  0.49    18  0.84  molprobity  1.000  
184  184  t         -60.1   -46.8  Favored     5  32.360     6  0.33     8  0.54  molprobity  1.000  
185  185  t         -51.0   -38.0  Favored     5  29.100     6  0.61     8  0.50  molprobity  1.000  
186  186  t80       -78.6   -41.2  Favored     9  31.400    13  0.34    18  0.57  molprobity  1.000  
187  187  tp        -54.5   -46.5  Favored    11  31.420     8  0.49    11  0.85  molprobity  1.000  
188  188  m-85      -62.9   -44.8  Favored     9  29.140    13  0.73    18  0.56  molprobity  1.000  
189  189  tp        -60.1   -37.3  Favored    11  27.530     8  0.32    11  0.39  molprobity  1.000  
190  190  t         -65.5   -38.8  Favored     5  30.960     6  0.22     8  0.43  molprobity  1.000  
191  191  mtt       -59.6   -40.0  Favored     9  32.510     8  0.38    10  0.32  molprobity  1.000  
192  192  ?         -54.6   -45.8  Favored     5  30.710     5  0.38     7  0.36  molprobity  1.000  
193  193  p         -60.4   -29.8  Favored     7  33.370     7  0.37    10  0.49  molprobity  1.000  
194  194  t80       -74.6   -52.4  Favored     9  38.070    13  0.40    18  0.34  molprobity  1.000  
195  195  m-85      -60.3   -36.2  Favored     9  35.680    12  0.32    16  0.34  molprobity  1.000  
196  196  m-20      -67.3   -40.7  Favored     4  34.120     8  0.22    11  0.50  molprobity  1.000  
197  197  ?         -62.2   -32.3  Favored     5  37.480     5  0.23     7  0.52  molprobity  1.000  
198  198  mm-40     -87.1     0.7  Favored     6  45.070     9  0.46    12  0.51  molprobity  1.000  
199  199  ?          85.7     4.8  Favored     3  39.990     4  0.29     5  0.66  molprobity  1.000  
200  200  m-85      -88.2    83.8  Favored     9  41.600    12  0.37    16  0.50  molprobity  1.000  
201  201  mmpt?     -62.6   -33.0  Favored    13  41.460     9  0.42    11  0.56  molprobity  1.000  
202  202  ?         -72.0   -43.6  Favored     3  34.150     4  0.21     5  0.17  molprobity  1.000  
203  203  m-85      -60.9   -45.4  Favored     9  36.250    12  0.56    16  0.32  molprobity  1.000  
204  204  ?         -63.0   -42.9  Favored     5  30.780     5  0.36     7  0.22  molprobity  1.000  
205  205  t-80      -58.1   -40.8  Favored     7  33.070    11  0.25    15  0.40  molprobity  1.000  
206  206  t90       -65.0   -46.4  Favored    10  31.630    16  0.43    23  0.17  molprobity  1.000  
207  207  mmt       -56.0   -41.7  Favored     9  34.150     8  0.25    10  0.57  molprobity  1.000  
208  208  mttt      -65.1   -41.1  Favored    13  33.780     9  0.71    11  0.48  molprobity  1.000  
209  209  mmtt      -60.7   -42.1  Favored    13  35.360     9  0.40    11  0.30  molprobity  1.000  
210  210  tp60      -62.5   -41.1  Favored     8  30.030     9  0.38    12  0.33  molprobity  1.000  
211  211  ?         -58.1   -45.9  Favored     5  28.200     5  0.29     7  0.38  molprobity  1.000  
212  212  mt-30     -60.7   -40.9  Favored     8  40.690     9  0.63    12  0.49  molprobity  1.000  
213  213  tt0       -61.8   -47.9  Favored     6  30.170     9  0.68    12  0.47  molprobity  1.000  
214  214  mm-40     -60.1   -35.2  Favored     6  32.070     9  0.62    12  0.43  molprobity  1.000  
215  215  tp        -62.5   -39.5  Favored    11  30.050     8  0.38    11  0.99  molprobity  1.000  
216  216  p         -66.1   -33.5  Favored     7  33.560     7  0.24    10  0.47  molprobity  1.000  
217  217  m170      -67.5   -45.4  Favored     7  33.190    11  0.20    15  0.20  molprobity  1.000  
218  218  ?         -51.8   -47.0  Favored     5  28.820     5  0.51     7  0.37  molprobity  1.000  
219  219  mmm       -65.2   -30.9  Favored     9  29.860     8  0.74    10  0.40  molprobity  1.000  
220  220  mttt      -62.9   -43.6  Favored    13  40.570     9  0.44    11  0.29  molprobity  1.000  
221  221  m-85      -64.0   -40.1  Favored     9  30.970    12  0.47    16  0.29  molprobity  1.000  
222  222  t80       -53.6   -56.0  Favored     9  29.580    13  0.46    18  0.77  molprobity  1.000  
223  223  mm-40     -73.2   -25.7  Favored     6  34.970     9  0.96    12  0.51  molprobity  1.000  
224  224  t80       -70.3   -42.4  Favored     9  34.760    13  0.60    18  0.20  molprobity  1.000  
225  225  mt        -54.6   -49.9  Favored    11  30.470     8  0.30    11  0.55  molprobity  1.000  
226  226  m-85      -66.3   -32.6  Favored     9  31.380    13  0.73    18  0.66  molprobity  1.000  
227  227  mm-40     -62.2   -34.5  Favored     6  50.090     9  0.24    12  0.38  molprobity  1.000  
228  228  mmm-85    -89.0    11.4  Favored    13  40.280    11  0.32    14  0.64  molprobity  1.000  
229  229  ?          82.3     8.2  Favored     3  35.140     4  0.26     5  0.77  molprobity  1.000  
230  230  ?         -91.1  -170.0  Favored     3  32.850     4  0.42     5  0.73  molprobity  1.000  
231  231  ttt180   -135.9   154.6  Favored    13  33.120    11  0.42    14  1.26  molprobity  1.000  
232  232  ttt180   -135.9   154.6  Favored    13  33.120    11  0.42    14  1.26  molprobity  1.000  
233  233  t        -102.4   133.3  Favored     8  31.240     7  0.20    10  0.32  molprobity  1.000  
234  234  tt0      -123.0   124.4  Favored     6  38.770     9  0.33    12  0.41  molprobity  1.000  
235  235  mt        -89.4   127.5  Favored    11  33.220     8  0.22    11  0.43  molprobity  1.000  
236  236  mm-40    -100.0   169.1  Favored     6  39.780     9  0.38    12  0.53  molprobity  1.000  
237  237  ?         -55.3   144.1  Favored     5  35.320     5  0.28     7  0.39  molprobity  1.000  
238  238  mt       -107.0   119.8  Favored    11  33.810     8  0.32    11  0.51  molprobity  1.000  
239  239  pm0       -71.7   155.4  Favored     6  47.630     9  0.67    12  0.52  molprobity  1.000  
240  240  tttt      -65.2   121.4  Favored    13  37.800     9  0.36    12  0.44  molprobity  1.000  
241  241  Cg_endo   -78.4   158.1  Favored     7  36.650     8  0.45    12  0.33  molprobity  1.000  
242  242  Cg_exo    -57.1   151.1  Favored     7  38.370     8  0.15    11  0.46  molprobity  1.000  
243  243  p        -122.5    -0.8  Favored     5  41.920     6  0.37     8  0.64  molprobity  1.000  
244  244  t30      -141.9   142.3  Favored     6  46.700     8  0.33    11  0.54  molprobity  1.000  
245  245  m-90     -135.3   158.1  Favored    10  42.690    16  0.30    23  0.42  molprobity  1.000  
246  246  m120      -98.1    64.9  Allowed     6  55.480     8  0.33    11  0.56  molprobity  1.000  
247  247  ?         118.0   158.1  Favored     3  43.750     4  0.39     5  0.40  molprobity  1.000  
248  248  mp        -57.2   -40.5  Favored    11  42.570     8  0.25    11  0.35  molprobity  1.000  
249  249  ttpp      -65.6   -44.0  Favored    13  42.170     9  0.37    11  0.31  molprobity  1.000  
250  250  t0        -57.4   -42.8  Favored     4  44.540     8  0.19    11  0.36  molprobity  1.000  
251  251  ?         -60.9   -46.0  Favored     5  36.230     5  0.24     7  0.44  molprobity  1.000  
252  252  m-85      -74.0   -27.0  Favored     9  36.050    12  0.43    16  0.33  molprobity  1.000  
253  253  mt-10     -60.3   -42.6  Favored     6  44.200     9  0.39    12  0.34  molprobity  1.000  
254  254  ?         -66.7   -42.1  Favored     5  35.510     5  0.30     7  0.32  molprobity  1.000  
255  255  ?         -57.0   -41.1  Favored     5  31.320     5  0.31     7  0.52  molprobity  1.000  
256  256  tp        -67.1   -47.2  Favored    11  32.530     8  0.38    11  0.49  molprobity  1.000  
257  257  ttmt      -54.8   -47.5  Favored    13  45.370     9  0.50    11  0.79  molprobity  1.000  
258  258  t60       -55.2   -47.1  Favored     7  34.790    11  0.13    15  0.37  molprobity  1.000  
259  259  mm-40     -70.8   -40.3  Favored     6  33.710     9  0.80    12  0.53  molprobity  1.000  
260  260  mt-10     -54.9   -42.9  Favored     6  39.110     9  0.31    12  0.32  molprobity  1.000  
261  261  t80       -64.2   -42.6  Favored     9  45.420    12  0.44    16  0.40  molprobity  1.000  
262  262  t         -60.0   -44.5  Favored     9  37.440     7  0.28    10  0.36  molprobity  1.000  
263  263  m         -59.5   -46.5  Favored     7  36.130     7  0.29    10  0.59  molprobity  1.000  
264  264  tp60      -54.5   -47.1  Favored     8  40.120     9  0.38    12  0.30  molprobity  1.000  
265  265  m         -58.9   -43.6  Favored     5  35.100     6  0.31     8  0.25  molprobity  1.000  
266  266  mm        -61.2   -46.7  Favored    11  38.420     8  0.30    11  0.36  molprobity  1.000  
267  267  m-30      -53.6   -42.8  Favored     9  39.060    13  0.26    18  0.72  molprobity  1.000  
268  268  m-20      -68.2   -35.3  Favored     6  40.550     8  0.32    11  0.50  molprobity  1.000  
269  269  mt        -67.2   -40.6  Favored    11  39.150     8  0.28    11  0.39  molprobity  1.000  
270  270  tp        -56.1   -39.6  Favored    11  41.740     8  0.31    11  0.90  molprobity  1.000  
271  271  mt-10     -67.5   -43.0  Favored     6  38.390     9  0.48    12  0.27  molprobity  1.000  
272  272  tp        -61.6   -43.0  Favored    11  41.150     8  0.10    11  0.35  molprobity  1.000  
273  273  ?         -63.1   -38.0  Favored     5  35.970     5  0.24     7  0.30  molprobity  1.000  
274  274  m         -68.1   -45.2  Favored     5  39.830     6  0.19     8  0.35  molprobity  1.000  
275  275  mt        -57.5   -38.2  Favored    11  41.380     8  0.25    11  0.74  molprobity  1.000  
276  276  ?         -71.7    -4.6  Favored     5  36.870     5  0.43     7  0.58  molprobity  1.000  
277  277  mt         56.1    31.6  Favored    11  41.980     8  0.37    11  0.66  molprobity  1.000  
278  278  t0        -88.3    93.5  Favored     4  42.370     8  0.36    11  1.21  molprobity  1.000  
279  279  m170      -62.3   -48.7  Favored     7  52.080    11  0.25    15  0.35  molprobity  1.000  
280  280  ?         -56.9   -47.1  Favored     5  41.170     5  0.27     7  0.44  molprobity  1.000  
281  281  m         -63.8   -43.2  Favored     7  35.560     7  0.27    10  0.61  molprobity  1.000  
282  282  t         -53.2   -53.5  Favored     9  37.860     7  0.19    10  0.35  molprobity  1.000  
283  283  m         -56.6   -44.8  Favored     5  43.680     6  0.24     8  0.24  molprobity  1.000  
284  284  t80       -56.0   -50.5  Favored     9  33.990    12  0.47    16  0.31  molprobity  1.000  
285  285  mt        -69.7   -18.8  Favored    11  41.200     8  0.26    11  0.91  molprobity  1.000  
286  286  mtpt      -58.8   -48.7  Favored    13  48.840     9  0.43    11  0.41  molprobity  1.000  
287  287  t90       -57.1   -35.6  Favored    10  45.220    16  0.49    23  0.28  molprobity  1.000  
288  288  m-85      -75.1   -36.8  Favored     9  39.460    12  0.66    16  0.31  molprobity  1.000  
289  289  t         -53.3   -50.0  Favored     9  39.270     7  0.27    10  0.39  molprobity  1.000  
290  290  m-20      -63.0   -43.2  Favored     4  37.230     8  0.49    11  0.42  molprobity  1.000  
291  291  tp10      -63.5   -38.9  Favored     6  38.210     9  0.41    12  0.48  molprobity  1.000  
292  292  mm100     -66.2   -44.4  Favored     8  34.560     9  0.29    12  0.26  molprobity  1.000  
293  293  t         -57.0   -45.8  Favored     9  37.630     7  0.28    10  0.41  molprobity  1.000  
294  294  tt0       -62.8   -43.9  Favored     6  46.970     9  0.35    12  0.33  molprobity  1.000  
295  295  mt-10     -62.5   -41.8  Favored     6  36.320     9  0.49    12  0.41  molprobity  1.000  
296  296  mt-10     -56.4   -43.8  Favored     6  35.070     9  0.39    12  0.50  molprobity  1.000  
297  297  m-20      -68.5   -39.1  Favored     4  39.800     8  0.50    11  0.53  molprobity  1.000  
298  298  mt-30     -59.6   -41.2  Favored     8  41.910     9  0.25    12  0.46  molprobity  1.000  
299  299  t         -67.2   -40.2  Favored     9  35.290     7  0.42    10  0.25  molprobity  1.000  
300  300  mtt85     -61.0   -45.2  Favored    13  37.160    11  0.40    14  0.76  molprobity  1.000  
301  301  tp10      -62.8   -33.5  Favored     6  46.140     9  0.88    12  0.49  molprobity  1.000  
302  302  mt        -67.0   -44.0  Favored    11  33.820     8  0.23    11  0.31  molprobity  1.000  
303  303  mt        -66.6   -35.0  Favored    11  34.240     8  0.32    11  0.51  molprobity  1.000  
304  304  t70       -61.9   -50.2  Favored     4  43.180     8  0.33    11  0.49  molprobity  1.000  
305  305  tt        -52.2   -45.7  Favored    11  40.300     8  0.23    11  0.69  molprobity  1.000  
306  306  mt        -66.5   -47.6  Favored    11  39.050     8  0.30    11  0.37  molprobity  1.000  
307  307  tp10      -60.3   -43.1  Favored     6  48.650     9  0.24    12  0.29  molprobity  1.000  
308  308  mttt      -70.3   -30.0  Favored    13  47.590     9  0.46    11  0.49  molprobity  1.000  
309  309  ?         -64.5   -24.8  Favored     5  51.920     5  0.35     7  0.61  molprobity  1.000  
310  310  m-85       58.6  -125.6  Allowed     9  62.780    12  0.57    16  1.23  molprobity  1.000  
311  311  ?         -87.4   -17.1  Favored     3  57.050     4  0.26     5  0.54  molprobity  1.000  
312  312  mm-40     -53.4   116.3  Favored     8  60.390     9  0.35    12  0.44  molprobity  1.000  
313  313  mmm       -63.8   -26.9  Favored     9  44.500     8  0.37    10  0.52  molprobity  1.000  
314  314  t         -47.4   -48.5  Favored     5  45.050     6  0.40     8  0.50  molprobity  1.000  
315  315  t         -71.5   -33.5  Favored     9  40.680     7  0.41    10  0.46  molprobity  1.000  
316  316  mt        -66.2   -37.1  Favored    11  40.200     8  0.27    11  0.56  molprobity  1.000  
317  317  m-85      -75.2   -35.1  Favored     9  39.000    12  0.42    16  0.36  molprobity  1.000  
318  318  mt-30     -55.8   -40.3  Favored     8  34.390     9  0.42    12  0.66  molprobity  1.000  
319  319  tp        -76.9   -38.1  Favored    11  35.530     8  0.31    11  0.57  molprobity  1.000  
320  320  t70       -55.2   -47.8  Favored     4  39.210     8  0.43    11  0.45  molprobity  1.000  
321  321  mtm-85    -60.9   -50.2  Favored    13  33.840    11  0.35    14  0.59  molprobity  1.000  
322  322  t80       -61.8   -49.1  Favored     9  34.790    13  0.37    18  0.33  molprobity  1.000  
323  323  mt        -69.6   -32.4  Favored    11  32.540     8  0.43    11  0.79  molprobity  1.000  
324  324  ?         -61.4   -11.7  Favored     3  31.600     4  0.22     5  0.50  molprobity  1.000  
325  325  mm-40     -92.1    -1.7  Favored     8  33.220     9  0.28    12  0.61  molprobity  1.000  
326  326  ttt180    -54.0   131.9  Favored    13  35.680    11  0.33    14  0.46  molprobity  1.000  
327  327  mm-40         ?       ?  ?           6  55.900     9  0.79     9  0.51  molprobity  1.000  
328  328  ?             ?       ?  ?           ?  56.830     ?     ?     ?     ?  ?           1.000  
329  329  ?             ?       ?  ?           ?  60.170     ?     ?     ?     ?  ?           0.530  
330  330  ?             ?       ?  ?           ?  43.220     ?     ?     ?     ?  ?           1.000  
331  331  ?             ?       ?  ?           ?  39.170     ?     ?     ?     ?  ?           0.800  
332  332  ?             ?       ?  ?           ?  42.750     ?     ?     ?     ?  ?           0.650  
333  333  ?             ?       ?  ?           ?  39.690     ?     ?     ?     ?  ?           1.000  
334  334  ?             ?       ?  ?           ?  46.900     ?     ?     ?     ?  ?           1.000  
335  335  ?             ?       ?  ?           ?  70.260     ?     ?     ?     ?  ?           1.000  
336  336  ?             ?       ?  ?           ?  56.350     ?     ?     ?     ?  ?           1.000  
337  337  ?             ?       ?  ?           ?  32.220     ?     ?     ?     ?  ?           1.000  
338  338  ?             ?       ?  ?           ?  38.030     ?     ?     ?     ?  ?           1.000  
339  339  ?             ?       ?  ?           ?  38.410     ?     ?     ?     ?  ?           1.000  
340  340  ?             ?       ?  ?           ?  34.930     ?     ?     ?     ?  ?           1.000  
341  341  ?             ?       ?  ?           ?  32.300     ?     ?     ?     ?  ?           1.000  
342  342  ?             ?       ?  ?           ?  47.050     ?     ?     ?     ?  ?           1.000  
343  343  ?             ?       ?  ?           ?  28.760     ?     ?     ?     ?  ?           1.000  
344  344  ?             ?       ?  ?           ?  32.230     ?     ?     ?     ?  ?           1.000  
345  345  ?             ?       ?  ?           ?  34.870     ?     ?     ?     ?  ?           1.000  
346  346  ?             ?       ?  ?           ?  37.200     ?     ?     ?     ?  ?           1.000  
347  347  ?             ?       ?  ?           ?  39.890     ?     ?     ?     ?  ?           1.000  
348  348  ?             ?       ?  ?           ?  29.380     ?     ?     ?     ?  ?           1.000  
349  349  ?             ?       ?  ?           ?  43.690     ?     ?     ?     ?  ?           1.000  
350  350  ?             ?       ?  ?           ?  37.950     ?     ?     ?     ?  ?           1.000  
351  351  ?             ?       ?  ?           ?  31.280     ?     ?     ?     ?  ?           1.000  
352  352  ?             ?       ?  ?           ?  51.380     ?     ?     ?     ?  ?           1.000  
353  353  ?             ?       ?  ?           ?  34.910     ?     ?     ?     ?  ?           1.000  
354  354  ?             ?       ?  ?           ?  37.560     ?     ?     ?     ?  ?           1.000  
355  355  ?             ?       ?  ?           ?  42.450     ?     ?     ?     ?  ?           1.000  
356  356  ?             ?       ?  ?           ?  36.940     ?     ?     ?     ?  ?           1.000  
357  357  ?             ?       ?  ?           ?  33.490     ?     ?     ?     ?  ?           1.000  
358  358  ?             ?       ?  ?           ?  35.090     ?     ?     ?     ?  ?           1.000  
359  359  ?             ?       ?  ?           ?  33.390     ?     ?     ?     ?  ?           1.000  
360  360  ?             ?       ?  ?           ?  41.400     ?     ?     ?     ?  ?           1.000  
361  361  ?             ?       ?  ?           ?  43.670     ?     ?     ?     ?  ?           1.000  
362  362  ?             ?       ?  ?           ?  46.770     ?     ?     ?     ?  ?           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    3  HG23   1  0.42  2.49  
 2    6  O      2  0.59  2.01  
 3    6  HD2    2  0.59  2.01  
 4    8  HE     3  0.40  1.69  
 5    8  HB3    3  0.40  1.69  
 6   22  HB2    4  0.46  1.97  
 7   34  HB2    5  0.61  1.83  
 8   37  CD2    6  0.42  2.55  
 9   37  CE2    7  0.41  2.55  
10   47  O      8  0.52  2.10  
11   51  HG2    8  0.52  2.10  
12   51  HB2    4  0.46  1.97  
13   57  HD2    9  0.50  2.47  
14   57  HD2   10  0.42  1.83  
15   65  CZ     1  0.42  2.49  
16   68  HG3   11  0.50  1.92  
17   68  HG2   12  0.48  2.28  
18   69  N     12  0.48  2.28  
19   74  HB    13  0.43  2.01  
20   79  O     14  0.44  2.51  
21   80  OD1   15  0.77  2.17  
22   85  HD11   6  0.42  2.55  
23   85  HD11   7  0.41  2.55  
24   86  HD2   16  0.62  1.81  
25  124  CZ2   17  0.50  2.47  
26  125  CZ     9  0.50  2.47  
27  125  HZ    10  0.42  1.83  
28  128  HA    18  0.56  1.88  
29  128  HG3   17  0.50  2.47  
30  131  HG2   18  0.56  1.88  
31  131  HG3   19  0.55  2.22  
32  132  N     19  0.55  2.22  
33  138  O     20  0.44  2.16  
34  142  HG    20  0.44  2.16  
35  144  HG2   16  0.62  1.81  
36  165  HG13  21  0.49  1.76  
37  166  HB    22  0.42  1.99  
38  177  O     23  0.54  2.08  
39  180  NH2   24  0.56  2.28  
40  181  HG2   23  0.54  2.08  
41  197  HB2   11  0.50  1.92  
42  200  HB3   25  0.48  1.78  
43  203  HD2   25  0.48  1.78  
44  212  O     26  0.42  2.20  
45  216  HG23  26  0.42  2.20  
46  228  HE    21  0.49  1.76  
47  228  HB3   22  0.42  1.99  
48  231  NH2   15  0.77  2.17  
49  232  HG3    5  0.61  1.83  
50  232  NH1   27  0.60  2.34  
51  232  NH2   14  0.44  2.51  
52  233  O     27  0.60  2.34  
53  238  HB    13  0.43  2.01  
54  248  H     28  0.48  1.78  
55  248  HD12  28  0.48  1.78  
56  269  HG22  29  0.47  1.96  
57  270  HD11  30  0.51  1.92  
58  282  HG13  30  0.51  1.92  
59  285  HD11  29  0.47  1.96  
60  347  O     24  0.56  2.28  
#
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   8  0.692  0.212   1.642  
  2    2   7  0.918  0.169   0.913  
  3    3   8  0.914  0.185   1.166  
  4    4   6  0.955  0.119  -0.053  
  5    5   9  0.838  0.192   0.486  
  6    6   9  0.840  0.311   2.042  
  7    7   7  0.954  0.088  -0.720  
  8    8  11  0.936  0.130  -0.257  
  9    9   9  0.915  0.225   0.864  
 10   10   5  0.939  0.088  -0.522  
 11   11   8  0.964  0.111  -0.353  
 12   12   8  0.973  0.099  -0.476  
 13   13   8  0.917  0.127  -0.084  
 14   14   9  0.973  0.127  -0.239  
 15   15   8  0.962  0.128  -0.010  
 16   16   8  0.942  0.112  -0.270  
 17   17  11  0.956  0.108  -0.582  
 18   18   9  0.938  0.135  -0.288  
 19   19   8  0.963  0.164   0.736  
 20   20  12  0.961  0.176   1.233  
 21   21   6  0.944  0.187   1.109  
 22   22   6  0.966  0.125   0.050  
 23   23  12  0.965  0.186   1.444  
 24   24   8  0.978  0.183   1.099  
 25   25  12  0.910  0.191   1.550  
 26   26   8  0.955  0.156   0.554  
 27   27   6  0.946  0.136   0.238  
 28   28   8  0.983  0.098  -0.450  
 29   29   5  0.976  0.109  -0.132  
 30   30   7  0.978  0.113  -0.120  
 31   31  12  0.954  0.145   0.577  
 32   32  11  0.978  0.107  -0.275  
 33   33   8  0.962  0.100  -0.495  
 34   34   5  0.955  0.109  -0.132  
 35   35   9  0.937  0.125  -0.424  
 36   36   4  0.977  0.096  -0.325  
 37   37  11  0.962  0.094  -0.543  
 38   38   9  0.943  0.181   0.262  
 39   39   4  0.957  0.093  -0.376  
 40   40  11  0.949  0.151   0.634  
 41   41   5  0.987  0.087  -0.541  
 42   42  10  0.977  0.089  -0.588  
 43   43  14  0.973  0.126   0.270  
 44   44   8  0.979  0.089  -0.615  
 45   45   9  0.980  0.132  -0.410  
 46   46   9  0.970  0.125  -0.505  
 47   47   9  0.975  0.113  -0.447  
 48   48   5  0.982  0.158   0.779  
 49   49   9  0.914  0.170   0.399  
 50   50   9  0.934  0.117  -0.533  
 51   51   9  0.951  0.135  -0.288  
 52   52   8  0.971  0.141   0.252  
 53   53   7  0.941  0.135   0.287  
 54   54  10  0.944  0.151   0.451  
 55   55   5  0.985  0.114  -0.039  
 56   56   8  0.975  0.116  -0.119  
 57   57   9  0.946  0.175   0.179  
 58   58  11  0.963  0.116  -0.089  
 59   59  12  0.958  0.112  -0.121  
 60   60   9  0.950  0.119  -0.505  
 61   61  12  0.962  0.108  -0.205  
 62   62   8  0.952  0.137   0.182  
 63   63  12  0.951  0.115  -0.057  
 64   64   9  0.859  0.196   0.541  
 65   65  11  0.955  0.120  -0.405  
 66   66   4  0.920  0.113  -0.039  
 67   67   4  0.957  0.187   1.209  
 68   68  11  0.953  0.161   0.201  
 69   69   7  0.936  0.113  -0.216  
 70   70   9  0.944  0.120  -0.492  
 71   71   8  0.949  0.098  -0.615  
 72   72   9  0.916  0.098  -0.791  
 73   73   5  0.966  0.102  -0.262  
 74   74   8  0.942  0.156   0.572  
 75   75   9  0.843  0.199   0.582  
 76   76   9  0.958  0.198   0.495  
 77   77   7  0.947  0.200   1.433  
 78   78   7  0.983  0.150   0.557  
 79   79   6  0.964  0.117  -0.087  
 80   80  16  0.917  0.156   0.429  
 81   81  16  0.917  0.156   0.429  
 82   82  14  0.953  0.116   0.041  
 83   83   8  0.810  0.270   2.238  
 84   84   4  0.963  0.087  -0.477  
 85   85   8  0.960  0.154   0.531  
 86   86   9  0.926  0.222   0.823  
 87   87   8  0.938  0.123  -0.145  
 88   88   5  0.980  0.105  -0.206  
 89   89  11  0.965  0.144   0.490  
 90   90   9  0.877  0.194   0.514  
 91   91   5  0.965  0.098  -0.336  
 92   92   5  0.958  0.101  -0.281  
 93   93   8  0.970  0.108  -0.413  
 94   94   9  0.950  0.161  -0.012  
 95   95  10  0.949  0.129   0.082  
 96   96   9  0.946  0.105  -0.696  
 97   97   9  0.926  0.114  -0.573  
 98   98  11  0.931  0.184   1.316  
 99   99   7  0.949  0.150   0.530  
100  100   7  0.926  0.149   0.545  
101  101   9  0.813  0.230   1.289  
102  102   6  0.946  0.108  -0.241  
103  103   8  0.923  0.170   0.859  
104  104  12  0.945  0.132   0.302  
105  105   8  0.899  0.136   0.111  
106  106   8  0.963  0.161   0.674  
107  107   8  0.970  0.128  -0.010  
108  108   9  0.903  0.199   0.582  
109  109   8  0.948  0.118  -0.212  
110  110   5  0.966  0.131   0.277  
111  111   6  0.942  0.136   0.238  
112  112   8  0.921  0.205   1.542  
113  113   5  0.945  0.094  -0.411  
114  114   8  0.975  0.127  -0.030  
115  115   8  0.947  0.099  -0.510  
116  116  10  0.945  0.109  -0.253  
117  117   5  0.968  0.098  -0.336  
118  118   7  0.948  0.119  -0.009  
119  119   7  0.927  0.116  -0.155  
120  120   6  0.940  0.131   0.152  
121  121  11  0.948  0.137   0.345  
122  122   8  0.946  0.167   0.776  
123  123   9  0.896  0.184   0.303  
124  124  14  0.900  0.170   1.277  
125  125  11  0.849  0.162   0.862  
126  126   7  0.927  0.180   1.135  
127  127   8  0.909  0.105  -0.419  
128  128   9  0.908  0.135  -0.288  
129  129   9  0.946  0.134  -0.135  
130  130   7  0.928  0.146   0.450  
131  131   9  0.837  0.248   1.247  
132  132   9  0.924  0.116  -0.546  
133  133   9  0.931  0.144  -0.166  
134  134   8  0.896  0.179   0.708  
135  135   9  0.869  0.199   0.829  
136  136   7  0.920  0.210   1.740  
137  137  11  0.822  0.163   0.230  
138  138   9  0.828  0.217   0.826  
139  139   8  0.930  0.147   0.387  
140  140   8  0.969  0.153   0.494  
141  141   8  0.907  0.272   2.123  
142  142   8  0.939  0.196   1.361  
143  143   8  0.926  0.190   1.240  
144  144   9  0.862  0.212   0.758  
145  145   9  0.843  0.306   1.974  
146  146   5  0.847  0.133   0.314  
147  147  11  0.826  0.305   3.816  
148  148   4  0.772  0.197   1.378  
149  149   9  0.853  0.217   1.096  
150  150   8  0.949  0.100  -0.413  
151  151   6  0.951  0.095  -0.463  
152  152   7  0.968  0.176   1.054  
153  153   8  0.979  0.155   0.551  
154  154  11  0.952  0.125   0.097  
155  155   9  0.869  0.177   0.503  
156  156   8  0.954  0.168   0.796  
157  157   8  0.949  0.086  -0.708  
158  158  11  0.906  0.157   0.142  
159  159  12  0.907  0.205   1.846  
160  160   8  0.975  0.138   0.192  
161  161   4  0.969  0.118   0.046  
162  162   9  0.921  0.148   0.073  
163  163  11  0.972  0.100  -0.700  
164  164  10  0.821  0.242   1.166  
165  165   7  0.827  0.192   1.377  
166  166   8  0.932  0.166   0.777  
167  167   6  0.934  0.101  -0.361  
168  168   9  0.912  0.167   0.147  
169  169   9  0.926  0.184   0.303  
170  170   7  0.964  0.111  -0.256  
171  171  11  0.948  0.127  -0.301  
172  172   9  0.964  0.119  -0.588  
173  173   5  0.981  0.099  -0.318  
174  174   8  0.968  0.141   0.252  
175  175   8  0.966  0.139   0.159  
176  176   8  0.947  0.117  -0.236  
177  177   9  0.973  0.134  -0.135  
178  178   8  0.964  0.156   0.554  
179  179   8  0.964  0.123  -0.095  
180  180  11  0.934  0.134  -0.198  
181  181   9  0.934  0.191   0.473  
182  182   8  0.971  0.224   1.965  
183  183  12  0.923  0.157   0.831  
184  184   6  0.982  0.184   1.058  
185  185   6  0.959  0.232   1.879  
186  186  12  0.964  0.146   0.598  
187  187   8  0.973  0.140   0.232  
188  188  12  0.959  0.153   0.746  
189  189   8  0.976  0.138   0.192  
190  190   6  0.976  0.088  -0.583  
191  191   8  0.975  0.097  -0.468  
192  192   5  0.943  0.122   0.110  
193  193   7  0.977  0.120   0.009  
194  194  12  0.962  0.121   0.070  
195  195  11  0.955  0.107  -0.275  
196  196   8  0.981  0.089  -0.662  
197  197   5  0.974  0.075  -0.764  
198  198   9  0.942  0.118  -0.519  
199  199   4  0.972  0.127   0.197  
200  200  11  0.960  0.116  -0.089  
201  201   9  0.906  0.182   0.275  
202  202   4  0.976  0.089  -0.444  
203  203  11  0.930  0.131   0.221  
204  204   5  0.987  0.090  -0.485  
205  205  10  0.962  0.114  -0.169  
206  206  14  0.980  0.134   0.453  
207  207   8  0.972  0.130   0.138  
208  208   9  0.979  0.144  -0.245  
209  209   9  0.959  0.135  -0.368  
210  210   9  0.968  0.170   0.399  
211  211   5  0.979  0.173   1.058  
212  212   9  0.901  0.200   0.844  
213  213   9  0.964  0.133  -0.315  
214  214   9  0.953  0.164   0.106  
215  215   8  0.955  0.163   0.696  
216  216   7  0.963  0.114  -0.102  
217  217  10  0.976  0.108  -0.270  
218  218   5  0.960  0.137   0.388  
219  219   8  0.976  0.130   0.138  
220  220   9  0.920  0.208   0.632  
221  221  11  0.948  0.112  -0.171  
222  222  12  0.967  0.120   0.049  
223  223   9  0.917  0.131  -0.342  
224  224  12  0.928  0.189   1.507  
225  225   8  0.956  0.100  -0.576  
226  226  12  0.964  0.102  -0.332  
227  227   9  0.877  0.207   0.690  
228  228  11  0.951  0.177   0.437  
229  229   4  0.968  0.077  -0.646  
230  230   4  0.974  0.102  -0.224  
231  231  22  0.932  0.165   0.260  
232  232  22  0.932  0.165   0.260  
233  233   7  0.967  0.121  -0.054  
234  234   9  0.937  0.134  -0.302  
235  235   8  0.962  0.180   1.038  
236  236   9  0.933  0.139  -0.234  
237  237   5  0.957  0.150   0.630  
238  238   8  0.975  0.169   0.838  
239  239   9  0.763  0.206   0.677  
240  240   9  0.959  0.095  -0.916  
241  241   7  0.919  0.089  -0.511  
242  242   7  0.955  0.099  -0.336  
243  243   6  0.962  0.137   0.255  
244  244   8  0.939  0.151   0.349  
245  245  14  0.963  0.152   0.865  
246  246   8  0.866  0.283   2.444  
247  247   4  0.968  0.111  -0.073  
248  248   8  0.953  0.109  -0.391  
249  249   9  0.915  0.174   0.166  
250  250   8  0.934  0.131  -0.023  
251  251   5  0.978  0.132   0.296  
252  252  11  0.954  0.121   0.014  
253  253   9  0.882  0.193   0.500  
254  254   5  0.977  0.107  -0.169  
255  255   5  0.973  0.122   0.110  
256  256   8  0.968  0.112  -0.333  
257  257   9  0.901  0.290   1.755  
258  258  10  0.941  0.114  -0.169  
259  259   9  0.961  0.112  -0.601  
260  260   9  0.952  0.127  -0.397  
261  261  11  0.929  0.149   0.593  
262  262   7  0.968  0.167   0.873  
263  263   7  0.980  0.159   0.730  
264  264   9  0.896  0.162   0.280  
265  265   6  0.952  0.157   0.597  
266  266   8  0.949  0.171   0.879  
267  267  12  0.958  0.130   0.260  
268  268   8  0.958  0.105  -0.381  
269  269   8  0.931  0.120  -0.166  
270  270   8  0.945  0.147   0.373  
271  271   9  0.943  0.106  -0.682  
272  272   8  0.934  0.172   0.877  
273  273   5  0.959  0.131   0.277  
274  274   6  0.953  0.094  -0.480  
275  275   8  0.946  0.137   0.171  
276  276   5  0.941  0.094  -0.411  
277  277   8  0.947  0.165   0.736  
278  278   8  0.950  0.116  -0.251  
279  279  10  0.821  0.260   2.276  
280  280   5  0.969  0.147   0.574  
281  281   7  0.929  0.137   0.323  
282  282   7  0.959  0.232   2.183  
283  283   6  0.946  0.193   1.212  
284  284  11  0.928  0.151   0.634  
285  285   8  0.959  0.098  -0.615  
286  286   9  0.870  0.228   0.905  
287  287  14  0.948  0.129   0.339  
288  288  11  0.911  0.145   0.510  
289  289   7  0.930  0.181   1.155  
290  290   8  0.885  0.130  -0.038  
291  291   9  0.909  0.145  -0.152  
292  292   9  0.967  0.151   0.117  
293  293   7  0.965  0.102  -0.438  
294  294   9  0.872  0.223   0.908  
295  295   9  0.956  0.146  -0.139  
296  296   9  0.935  0.118  -0.519  
297  297   8  0.907  0.128  -0.068  
298  298   9  0.920  0.161   0.266  
299  299   7  0.972  0.129   0.107  
300  300  11  0.963  0.109  -0.567  
301  301   9  0.777  0.265   1.478  
302  302   8  0.979  0.135   0.141  
303  303   8  0.965  0.139   0.212  
304  304   8  0.949  0.119  -0.205  
305  305   8  0.963  0.119  -0.192  
306  306   8  0.967  0.119  -0.192  
307  307   9  0.937  0.156  -0.003  
308  308   9  0.914  0.156  -0.081  
309  309   5  0.893  0.122   0.110  
310  310  11  0.787  0.279   3.279  
311  311   4  0.909  0.150   0.585  
312  312   9  0.911  0.149   0.088  
313  313   8  0.955  0.144   0.394  
314  314   6  0.931  0.171   0.836  
315  315   7  0.951  0.157   0.671  
316  316   8  0.937  0.177   1.002  
317  317  11  0.946  0.155   0.717  
318  318   9  0.963  0.132  -0.165  
319  319   8  0.971  0.137   0.171  
320  320   8  0.961  0.111  -0.327  
321  321  11  0.960  0.130  -0.257  
322  322  12  0.966  0.112  -0.121  
323  323   8  0.956  0.162   0.675  
324  324   4  0.967  0.120   0.079  
325  325   9  0.953  0.115  -0.417  
326  326  11  0.955  0.155   0.112  
327  327  10  0.746  0.316   2.171  
328  328   1  0.972  0.077       ?  
329  329   1  0.708  0.131       ?  
330  330   1  0.971  0.129       ?  
331  331   1  0.985  0.093       ?  
332  332   1  0.986  0.147       ?  
333  333   1  0.980  0.124       ?  
334  334   1  0.979  0.056       ?  
335  335   1  0.751  0.090       ?  
336  336   1  0.880  0.099       ?  
337  337   1  0.928  0.133       ?  
338  338   1  0.903  0.240       ?  
339  339   1  0.912  0.194       ?  
340  340   1  0.984  0.177       ?  
341  341   1  0.943  0.123       ?  
342  342   1  0.923  0.122       ?  
343  343   1  0.969  0.150       ?  
344  344   1  0.983  0.134       ?  
345  345   1  0.907  0.136       ?  
346  346   1  0.962  0.077       ?  
347  347   1  0.948  0.203       ?  
348  348   1  0.967  0.159       ?  
349  349   1  0.938  0.118       ?  
350  350   1  0.828  0.136       ?  
351  351   1  0.936  0.209       ?  
352  352   1  0.784  0.115       ?  
353  353   1  0.966  0.185       ?  
354  354   1  0.973  0.247       ?  
355  355   1  0.865  0.103       ?  
356  356   1  0.885  0.223       ?  
357  357   1  0.974  0.113       ?  
358  358   1  0.968  0.178       ?  
359  359   1  0.863  0.248       ?  
360  360   1  0.923  0.275       ?  
361  361   1  0.743  0.256       ?  
362  362   1  0.975  0.222       ?  
#
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        unknown                                                               Y  
3  eds          2.36                                                                  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  
##
