data_6BAS

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6BAS
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6BAS
_pdbx_vrpt_summary.PDB_deposition_date         2017-10-15
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-25:21:18
_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      "Peptidoglycan glycosyltransferase RodA"  
2  non-polymer  "CHLORIDE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  3.194  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   34.03  141614     ?     ?  
 2  2  1   68.08    1253  3.20  3.20  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1234  3.20  3.20  
 5  1  3   78.50  138945     ?     ?  
 6  2  3   91.08    1233  3.20  3.20  
 7  1  4   18.94  127900     ?     ?  
 8  2  4   10.87    1095  3.20  3.20  
 9  1  5    5.15  130704     ?     ?  
10  2  5   22.17    1133  3.20  3.20  
#
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   78.50  
4  6  3  A  1  1  A   91.08  
5  7  4  A  1  1  A   18.94  
6  8  4  A  1  1  A   10.87  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.47
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.28
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2255
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  3084
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.93
_pdbx_vrpt_summary_geometry.clashscore                     8.44
_pdbx_vrpt_summary_geometry.num_H_reduce                   2299
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2255
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.28
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3084
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.47
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.094
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         87.261
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.56(3.19A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7446
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.253
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.476
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.307
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.894
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.057
_pdbx_vrpt_summary_diffraction.DCC_R                     0.28
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.30
_pdbx_vrpt_summary_diffraction.EDS_R                     0.30
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.19
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.82
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[109.346,104.888,65.766,0.000,-19.896,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.467
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.98% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         78.56
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      736
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.88
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.38
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.19
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.01
_pdbx_vrpt_summary_diffraction.PDB_R                     0.28
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.30
#
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    8  TRP  A    8  .  ?        2  
  2  1  1  A    9  LEU  A    9  .  ?        ?  
  3  1  1  A   10  ALA  A   10  .  ?        2  
  4  1  1  A   11  TYR  A   11  .  ?        ?  
  5  1  1  A   12  ASP  A   12  .  ?        ?  
  6  1  1  A   13  TRP  A   13  .  ?        ?  
  7  1  1  A   14  GLY  A   14  .  ?        ?  
  8  1  1  A   15  LEU  A   15  .  ?        ?  
  9  1  1  A   16  VAL  A   16  .  ?        ?  
 10  1  1  A   17  PHE  A   17  .  ?        ?  
 11  1  1  A   18  LEU  A   18  .  ?        ?  
 12  1  1  A   19  VAL  A   19  .  ?        ?  
 13  1  1  A   20  ALA  A   20  .  ?        ?  
 14  1  1  A   21  ALA  A   21  .  ?        ?  
 15  1  1  A   22  ILE  A   22  .  ?        ?  
 16  1  1  A   23  VAL  A   23  .  ?        ?  
 17  1  1  A   24  ALA  A   24  .  ?        ?  
 18  1  1  A   25  LEU  A   25  .  ?        1  
 19  1  1  A   26  GLY  A   26  .  ?        ?  
 20  1  1  A   27  PHE  A   27  .  ?        ?  
 21  1  1  A   28  VAL  A   28  .  ?        1  
 22  1  1  A   29  ASN  A   29  .  ?        ?  
 23  1  1  A   30  LEU  A   30  .  ?        ?  
 24  1  1  A   31  GLY  A   31  .  ?        ?  
 25  1  1  A   32  SER  A   32  .  ?        ?  
 26  1  1  A   33  ALA  A   33  .  ?        1  
 27  1  1  A   34  ALA  A   34  .  ?        1  
 28  1  1  A   35  PRO  A   35  .  ?        ?  
 29  1  1  A   36  ASP  A   36  .  ?        ?  
 30  1  1  A   37  PRO  A   37  .  ?        ?  
 31  1  1  A   38  VAL  A   38  .  ?        ?  
 32  1  1  A   39  LEU  A   39  .  ?        ?  
 33  1  1  A   40  LEU  A   40  .  ?        ?  
 34  1  1  A   41  TYR  A   41  .  ?        ?  
 35  1  1  A   42  ARG  A   42  .  ?        ?  
 36  1  1  A   43  GLN  A   43  .  ?        1  
 37  1  1  A   44  SER  A   44  .  ?        ?  
 38  1  1  A   45  VAL  A   45  .  ?        ?  
 39  1  1  A   46  ALA  A   46  .  ?        ?  
 40  1  1  A   47  LEU  A   47  .  ?        ?  
 41  1  1  A   48  GLY  A   48  .  ?        ?  
 42  1  1  A   49  LEU  A   49  .  ?        ?  
 43  1  1  A   50  GLY  A   50  .  ?        1  
 44  1  1  A   51  LEU  A   51  .  ?        ?  
 45  1  1  A   52  LEU  A   52  .  ?        ?  
 46  1  1  A   53  LEU  A   53  .  ?        ?  
 47  1  1  A   54  ALA  A   54  .  ?        ?  
 48  1  1  A   55  PHE  A   55  .  ?        ?  
 49  1  1  A   56  LEU  A   56  .  ?        ?  
 50  1  1  A   57  LEU  A   57  .  ?        ?  
 51  1  1  A   58  GLN  A   58  .  ?        ?  
 52  1  1  A   59  PHE  A   59  .  ?        ?  
 53  1  1  A   60  LEU  A   60  .  ?        ?  
 54  1  1  A   61  SER  A   61  .  ?        ?  
 55  1  1  A   62  ARG  A   62  .  ?        2  
 56  1  1  A   63  ARG  A   63  .  ?        ?  
 57  1  1  A   64  ARG  A   64  .  ?        ?  
 58  1  1  A   65  LEU  A   65  .  ?        ?  
 59  1  1  A   66  PHE  A   66  .  ?        ?  
 60  1  1  A   67  GLY  A   67  .  ?        ?  
 61  1  1  A   68  LEU  A   68  .  ?        ?  
 62  1  1  A   69  ALA  A   69  .  ?        ?  
 63  1  1  A   70  TYR  A   70  .  ?        ?  
 64  1  1  A   71  PRO  A   71  .  ?        ?  
 65  1  1  A   72  LEU  A   72  .  ?        ?  
 66  1  1  A   73  TYR  A   73  .  ?        ?  
 67  1  1  A   74  GLY  A   74  .  ?        ?  
 68  1  1  A   75  ALA  A   75  .  ?        ?  
 69  1  1  A   76  SER  A   76  .  ?        1  
 70  1  1  A   77  LEU  A   77  .  ?        ?  
 71  1  1  A   78  LEU  A   78  .  ?        ?  
 72  1  1  A   79  LEU  A   79  .  ?        2  
 73  1  1  A   80  LEU  A   80  .  ?        2  
 74  1  1  A   81  ALA  A   81  .  ?        ?  
 75  1  1  A   82  LEU  A   82  .  ?        ?  
 76  1  1  A   83  VAL  A   83  .  ?        1  
 77  1  1  A   84  LEU  A   84  .  ?        ?  
 78  1  1  A   85  VAL  A   85  .  ?        ?  
 79  1  1  A   86  VAL  A   86  .  ?        ?  
 80  1  1  A   87  GLY  A   87  .  ?        ?  
 81  1  1  A   88  ARG  A   88  .  ?        1  
 82  1  1  A   89  GLU  A   89  .  ?        1  
 83  1  1  A   90  ILE  A   90  .  ?        ?  
 84  1  1  A   91  ASN  A   91  .  ?        ?  
 85  1  1  A   92  GLY  A   92  .  ?        1  
 86  1  1  A   93  ALA  A   93  .  ?        ?  
 87  1  1  A   94  ARG  A   94  .  ?        ?  
 88  1  1  A   95  ALA  A   95  .  ?        ?  
 89  1  1  A   96  TRP  A   96  .  ?        ?  
 90  1  1  A   97  PHE  A   97  .  ?        ?  
 91  1  1  A   98  VAL  A   98  .  ?        1  
 92  1  1  A   99  LEU  A   99  .  ?        ?  
 93  1  1  A  100  GLY  A  100  .  ?        ?  
 94  1  1  A  101  PRO  A  101  .  ?        ?  
 95  1  1  A  102  LEU  A  102  .  ?        ?  
 96  1  1  A  103  GLN  A  103  .  ?        ?  
 97  1  1  A  104  PHE  A  104  .  ?        ?  
 98  1  1  A  105  GLN  A  105  .  ?        1  
 99  1  1  A  106  PRO  A  106  .  ?        1  
100  1  1  A  107  LEU  A  107  .  ?        2  
101  1  1  A  108  GLU  A  108  .  ?        1  
102  1  1  A  109  LEU  A  109  .  ?        1  
103  1  1  A  110  ALA  A  110  .  ?        ?  
104  1  1  A  111  LYS  A  111  .  ?        2  
105  1  1  A  112  LEU  A  112  .  ?        ?  
106  1  1  A  113  GLY  A  113  .  ?        ?  
107  1  1  A  114  LEU  A  114  .  ?        ?  
108  1  1  A  115  LEU  A  115  .  ?        ?  
109  1  1  A  116  LEU  A  116  .  ?        ?  
110  1  1  A  117  ALA  A  117  .  ?        ?  
111  1  1  A  118  LEU  A  118  .  ?        3  
112  1  1  A  119  ALA  A  119  .  ?        ?  
113  1  1  A  120  LYS  A  120  .  ?        1  
114  1  1  A  121  ALA  A  121  .  ?        ?  
115  1  1  A  122  LEU  A  122  .  ?        1  
116  1  1  A  123  GLU  A  123  .  ?        ?  
117  1  1  A  124  GLY  A  124  .  ?        ?  
118  1  1  A  125  ARG  A  125  .  ?        ?  
119  1  1  A  126  PRO  A  126  .  ?        ?  
120  1  1  A  127  ILE  A  127  .  ?        ?  
121  1  1  A  128  ALA  A  128  .  ?        ?  
122  1  1  A  129  ARG  A  129  .  ?        ?  
123  1  1  A  130  VAL  A  130  .  ?        ?  
124  1  1  A  131  TRP  A  131  .  ?        ?  
125  1  1  A  132  ASP  A  132  .  ?        ?  
126  1  1  A  133  TYR  A  133  .  ?        ?  
127  1  1  A  134  ALA  A  134  .  ?        ?  
128  1  1  A  135  LEU  A  135  .  ?        1  
129  1  1  A  136  PRO  A  136  .  ?        1  
130  1  1  A  137  ALA  A  137  .  ?        ?  
131  1  1  A  138  LEU  A  138  .  ?        ?  
132  1  1  A  139  LEU  A  139  .  ?        ?  
133  1  1  A  140  THR  A  140  .  ?        ?  
134  1  1  A  141  LEU  A  141  .  ?        ?  
135  1  1  A  142  PRO  A  142  .  ?        ?  
136  1  1  A  143  VAL  A  143  .  ?        ?  
137  1  1  A  144  VAL  A  144  .  ?        ?  
138  1  1  A  145  GLY  A  145  .  ?        ?  
139  1  1  A  146  LEU  A  146  .  ?        ?  
140  1  1  A  147  LEU  A  147  .  ?        1  
141  1  1  A  148  LEU  A  148  .  ?        ?  
142  1  1  A  149  LEU  A  149  .  ?        ?  
143  1  1  A  150  GLN  A  150  .  ?        1  
144  1  1  A  151  PRO  A  151  .  ?        ?  
145  1  1  A  152  ASP  A  152  .  ?        ?  
146  1  1  A  153  LEU  A  153  .  ?        2  
147  1  1  A  154  GLY  A  154  .  ?        ?  
148  1  1  A  155  GLY  A  155  .  ?        ?  
149  1  1  A  156  ALA  A  156  .  ?        ?  
150  1  1  A  157  LEU  A  157  .  ?        ?  
151  1  1  A  158  VAL  A  158  .  ?        ?  
152  1  1  A  159  VAL  A  159  .  ?        ?  
153  1  1  A  160  LEU  A  160  .  ?        ?  
154  1  1  A  161  PHE  A  161  .  ?        ?  
155  1  1  A  162  GLY  A  162  .  ?        ?  
156  1  1  A  163  VAL  A  163  .  ?        ?  
157  1  1  A  164  PHE  A  164  .  ?        ?  
158  1  1  A  165  VAL  A  165  .  ?        ?  
159  1  1  A  166  VAL  A  166  .  ?        ?  
160  1  1  A  167  VAL  A  167  .  ?        ?  
161  1  1  A  168  PHE  A  168  .  ?        ?  
162  1  1  A  169  VAL  A  169  .  ?        ?  
163  1  1  A  170  ARG  A  170  .  ?        ?  
164  1  1  A  171  GLY  A  171  .  ?        ?  
165  1  1  A  172  LEU  A  172  .  ?        1  
166  1  1  A  173  PRO  A  173  .  ?        1  
167  1  1  A  174  TRP  A  174  .  ?        ?  
168  1  1  A  175  ARG  A  175  .  ?        ?  
169  1  1  A  176  HIS  A  176  .  ?        ?  
170  1  1  A  177  LEU  A  177  .  ?        ?  
171  1  1  A  178  LEU  A  178  .  ?        ?  
172  1  1  A  179  VAL  A  179  .  ?        ?  
173  1  1  A  180  GLY  A  180  .  ?        ?  
174  1  1  A  181  LEU  A  181  .  ?        ?  
175  1  1  A  182  PHE  A  182  .  ?        ?  
176  1  1  A  183  ALA  A  183  .  ?        ?  
177  1  1  A  184  LEU  A  184  .  ?        ?  
178  1  1  A  185  ALA  A  185  .  ?        ?  
179  1  1  A  186  LEU  A  186  .  ?        ?  
180  1  1  A  187  LEU  A  187  .  ?        ?  
181  1  1  A  188  VAL  A  188  .  ?        2  
182  1  1  A  228  ILE  A  228  .  ?        ?  
183  1  1  A  229  GLY  A  229  .  ?        ?  
184  1  1  A  230  SER  A  230  .  ?        ?  
185  1  1  A  231  GLY  A  231  .  ?        ?  
186  1  1  A  232  GLY  A  232  .  ?        ?  
187  1  1  A  233  LEU  A  233  .  ?        2  
188  1  1  A  234  PHE  A  234  .  ?        ?  
189  1  1  A  235  GLY  A  235  .  ?        ?  
190  1  1  A  236  LYS  A  236  .  ?        ?  
191  1  1  A  252  ARG  A  252  .  ?        ?  
192  1  1  A  253  HIS  A  253  .  ?        ?  
193  1  1  A  254  THR  A  254  .  ?        ?  
194  1  1  A  255  ALA  A  255  .  ?        ?  
195  1  1  A  256  PHE  A  256  .  ?        2  
196  1  1  A  257  VAL  A  257  .  ?        ?  
197  1  1  A  258  PHE  A  258  .  ?        ?  
198  1  1  A  259  SER  A  259  .  ?        ?  
199  1  1  A  260  VAL  A  260  .  ?        2  
200  1  1  A  261  TRP  A  261  .  ?        ?  
201  1  1  A  262  ALA  A  262  .  ?        ?  
202  1  1  A  263  GLU  A  263  .  ?        ?  
203  1  1  A  264  GLU  A  264  .  ?        2  
204  1  1  A  265  TRP  A  265  .  ?        ?  
205  1  1  A  266  GLY  A  266  .  ?        ?  
206  1  1  A  267  PHE  A  267  .  ?        ?  
207  1  1  A  268  VAL  A  268  .  ?        ?  
208  1  1  A  269  GLY  A  269  .  ?        ?  
209  1  1  A  270  VAL  A  270  .  ?        ?  
210  1  1  A  271  VAL  A  271  .  ?        ?  
211  1  1  A  272  GLY  A  272  .  ?        ?  
212  1  1  A  273  LEU  A  273  .  ?        ?  
213  1  1  A  274  LEU  A  274  .  ?        1  
214  1  1  A  275  GLY  A  275  .  ?        ?  
215  1  1  A  276  LEU  A  276  .  ?        ?  
216  1  1  A  277  TYR  A  277  .  ?        ?  
217  1  1  A  278  GLY  A  278  .  ?        ?  
218  1  1  A  279  LEU  A  279  .  ?        ?  
219  1  1  A  280  LEU  A  280  .  ?        ?  
220  1  1  A  281  LEU  A  281  .  ?        ?  
221  1  1  A  282  ALA  A  282  .  ?        ?  
222  1  1  A  283  ARG  A  283  .  ?        1  
223  1  1  A  284  LEU  A  284  .  ?        ?  
224  1  1  A  285  PHE  A  285  .  ?        ?  
225  1  1  A  286  ALA  A  286  .  ?        ?  
226  1  1  A  287  LEU  A  287  .  ?        1  
227  1  1  A  288  ALA  A  288  .  ?        ?  
228  1  1  A  289  LEU  A  289  .  ?        ?  
229  1  1  A  290  ALA  A  290  .  ?        ?  
230  1  1  A  291  CYS  A  291  .  ?        ?  
231  1  1  A  292  PRO  A  292  .  ?        ?  
232  1  1  A  293  ARG  A  293  .  ?        2  
233  1  1  A  294  LEU  A  294  .  ?        ?  
234  1  1  A  295  SER  A  295  .  ?        ?  
235  1  1  A  296  ASP  A  296  .  ?        ?  
236  1  1  A  297  ARG  A  297  .  ?        ?  
237  1  1  A  298  LEU  A  298  .  ?        ?  
238  1  1  A  299  PHE  A  299  .  ?        ?  
239  1  1  A  300  LEU  A  300  .  ?        ?  
240  1  1  A  301  SER  A  301  .  ?        ?  
241  1  1  A  302  GLY  A  302  .  ?        ?  
242  1  1  A  303  PHE  A  303  .  ?        ?  
243  1  1  A  304  ALA  A  304  .  ?        ?  
244  1  1  A  305  GLY  A  305  .  ?        ?  
245  1  1  A  306  MET  A  306  .  ?        ?  
246  1  1  A  307  LEU  A  307  .  ?        ?  
247  1  1  A  308  GLY  A  308  .  ?        ?  
248  1  1  A  309  PHE  A  309  .  ?        ?  
249  1  1  A  310  GLN  A  310  .  ?        ?  
250  1  1  A  311  VAL  A  311  .  ?        ?  
251  1  1  A  312  VAL  A  312  .  ?        ?  
252  1  1  A  313  VAL  A  313  .  ?        1  
253  1  1  A  314  ASN  A  314  .  ?        ?  
254  1  1  A  315  LEU  A  315  .  ?        1  
255  1  1  A  316  GLY  A  316  .  ?        ?  
256  1  1  A  317  VAL  A  317  .  ?        1  
257  1  1  A  318  ALA  A  318  .  ?        ?  
258  1  1  A  319  LEU  A  319  .  ?        ?  
259  1  1  A  320  GLY  A  320  .  ?        ?  
260  1  1  A  321  VAL  A  321  .  ?        ?  
261  1  1  A  322  MET  A  322  .  ?        ?  
262  1  1  A  323  PRO  A  323  .  ?        ?  
263  1  1  A  324  VAL  A  324  .  ?        1  
264  1  1  A  325  THR  A  325  .  ?        ?  
265  1  1  A  326  GLY  A  326  .  ?        ?  
266  1  1  A  327  LEU  A  327  .  ?        1  
267  1  1  A  328  THR  A  328  .  ?        1  
268  1  1  A  329  LEU  A  329  .  ?        ?  
269  1  1  A  330  PRO  A  330  .  ?        ?  
270  1  1  A  331  LEU  A  331  .  ?        ?  
271  1  1  A  332  PHE  A  332  .  ?        ?  
272  1  1  A  333  SER  A  333  .  ?        1  
273  1  1  A  334  TYR  A  334  .  ?        ?  
274  1  1  A  335  GLY  A  335  .  ?        ?  
275  1  1  A  336  GLY  A  336  .  ?        ?  
276  1  1  A  337  SER  A  337  .  ?        ?  
277  1  1  A  338  SER  A  338  .  ?        ?  
278  1  1  A  339  LEU  A  339  .  ?        1  
279  1  1  A  340  ILE  A  340  .  ?        ?  
280  1  1  A  341  ALA  A  341  .  ?        ?  
281  1  1  A  342  THR  A  342  .  ?        ?  
282  1  1  A  343  LEU  A  343  .  ?        1  
283  1  1  A  344  ALA  A  344  .  ?        ?  
284  1  1  A  345  GLY  A  345  .  ?        ?  
285  1  1  A  346  LEU  A  346  .  ?        2  
286  1  1  A  347  GLY  A  347  .  ?        ?  
287  1  1  A  348  LEU  A  348  .  ?        ?  
288  1  1  A  349  VAL  A  349  .  ?        3  
289  1  1  A  350  LEU  A  350  .  ?        ?  
290  1  1  A  351  LEU  A  351  .  ?        1  
291  1  1  A  352  VAL  A  352  .  ?        1  
292  1  1  A  353  HIS  A  353  .  ?        ?  
293  1  1  A  354  ARG  A  354  .  ?        1  
294  1  1  A  355  ASP  A  355  .  ?        ?  
295  1  1  A  356  ARG  A  356  .  ?        ?  
296  1  1  A  357  TYR  A  357  .  ?        ?  
297  1  1  A  358  GLN  A  358  .  ?        ?  
298  1  1  A  359  ASP  A  359  .  ?        ?  
299  1  2  B    .  CL   A  401  .  ?        ?  
300  1  3  C    .  HOH  A  501  .  ?        1  
301  1  3  C    .  HOH  A  502  .  ?        ?  
302  1  3  C    .  HOH  A  503  .  ?        ?  
303  1  3  C    .  HOH  A  504  .  ?        ?  
304  1  3  C    .  HOH  A  505  .  ?        ?  
305  1  3  C    .  HOH  A  506  .  ?        ?  
306  1  3  C    .  HOH  A  507  .  ?        ?  
307  1  3  C    .  HOH  A  508  .  ?        ?  
#
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.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.cis_peptide
_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  t-105         ?       ?  ?           ?  ?        9  173.440    16  0.17    23  0.23  molprobity  1.000  
  2    2  mp         61.6    60.3  Allowed     ?  ?       11  135.290     8  0.33    11  0.75  molprobity  1.000  
  3    3  ?         -99.6    55.8  Allowed     ?  ?        5  129.760     5  0.20     7  0.33  molprobity  1.000  
  4    4  m-85      -91.8   170.9  Favored     ?  ?        9  110.740    13  0.22    18  0.38  molprobity  1.000  
  5    5  t70       -91.3    97.2  Favored     ?  ?        4  100.790     8  0.24    11  0.56  molprobity  1.000  
  6    6  m95       -71.4   -18.0  Favored     ?  ?       10  130.310    16  0.27    23  0.46  molprobity  1.000  
  7    7  ?         -60.0   -45.7  Favored     ?  ?        3  115.510     4  0.21     5  0.32  molprobity  1.000  
  8    8  tp        -61.2   -37.3  Favored     ?  ?       11   94.220     8  0.21    11  0.53  molprobity  1.000  
  9    9  t         -59.8   -46.0  Favored     ?  ?        9   97.530     7  0.21    10  0.37  molprobity  1.000  
 10   10  t80       -64.7   -35.8  Favored     ?  ?        9  121.450    12  0.36    16  0.22  molprobity  1.000  
 11   11  mt        -64.7   -48.3  Favored     ?  ?       11  100.190     8  0.27    11  0.34  molprobity  1.000  
 12   12  t         -59.1   -45.3  Favored     ?  ?        9   97.930     7  0.20    10  0.39  molprobity  1.000  
 13   13  ?         -63.6   -34.1  Favored     ?  ?        5  105.750     5  0.24     7  0.26  molprobity  1.000  
 14   14  ?         -71.9   -44.4  Favored     ?  ?        5   97.160     5  0.27     7  0.31  molprobity  1.000  
 15   15  mt        -62.1   -40.6  Favored     ?  ?       11   99.990     8  0.20    11  0.32  molprobity  1.000  
 16   16  t         -64.4   -44.1  Favored     ?  ?        9   92.260     7  0.23    10  0.36  molprobity  1.000  
 17   17  ?         -65.1   -34.3  Favored     ?  ?        5  100.760     5  0.31     7  0.39  molprobity  1.000  
 18   18  mt        -66.1   -45.1  Favored     ?  ?       11   87.460     8  0.29    11  0.42  molprobity  1.000  
 19   19  ?         -54.4   -42.5  Favored     ?  ?        3  106.080     4  0.09     5  0.33  molprobity  1.000  
 20   20  m-85      -72.1   -39.8  Favored     ?  ?        9   96.040    12  0.39    16  0.47  molprobity  1.000  
 21   21  m         -73.8   -18.7  Favored     ?  ?        9  121.860     7  0.20    10  0.29  molprobity  1.000  
 22   22  t30       -81.2   -45.2  Favored     ?  ?        6  104.250     8  0.18    11  0.26  molprobity  1.000  
 23   23  tp        -58.4   -31.7  Favored     ?  ?       11  108.930     8  0.30    11  0.47  molprobity  1.000  
 24   24  ?         -68.2    -5.9  Favored     ?  ?        3  115.790     4  0.22     5  0.50  molprobity  1.000  
 25   25  p        -129.6   -25.1  Favored     ?  ?        5  124.700     6  0.33     8  0.57  molprobity  1.000  
 26   26  ?         -84.6    94.1  Favored     ?  ?        5  124.790     5  0.13     7  0.84  molprobity  1.000  
 27   27  ?          48.6    73.4  Allowed     ?  ?        5  142.890     5  0.45     8  0.81  molprobity  1.000  
 28   28  Cg_endo   -82.5   169.6  Favored     ?  ?        7  149.620     8  0.26    11  0.54  molprobity  1.000  
 29   29  t70      -169.7   135.6  Allowed     ?  ?        4  139.610     8  0.26    12  0.51  molprobity  1.000  
 30   30  Cg_exo    -58.1   -35.5  Favored     ?  ?        7  139.510     8  0.23    11  0.27  molprobity  1.000  
 31   31  t         -91.8   -14.8  Favored     ?  ?        9  127.470     7  0.27    10  0.50  molprobity  1.000  
 32   32  tp        -86.8   -16.2  Favored     ?  ?       11  114.470     8  0.23    11  0.39  molprobity  1.000  
 33   33  mt        -86.3   -19.3  Favored     ?  ?       11  115.230     8  0.18    11  0.48  molprobity  1.000  
 34   34  t80       -74.0   -42.0  Favored     ?  ?        9  144.570    13  0.23    18  0.32  molprobity  1.000  
 35   35  mtt-85    -57.2   -42.6  Favored     ?  ?       13  116.530    11  0.24    14  0.38  molprobity  1.000  
 36   36  tp60      -74.3   -30.5  Favored     ?  ?        8   97.890     9  0.19    12  0.93  molprobity  1.000  
 37   37  m         -65.7   -43.8  Favored     ?  ?        5  110.430     6  0.24     8  0.40  molprobity  1.000  
 38   38  t         -65.9   -36.6  Favored     ?  ?        9  107.260     7  0.23    10  0.44  molprobity  1.000  
 39   39  ?         -61.7   -42.9  Favored     ?  ?        5  108.270     5  0.20     7  0.31  molprobity  1.000  
 40   40  tp        -63.4   -44.0  Favored     ?  ?       11   90.250     8  0.30    11  0.37  molprobity  1.000  
 41   41  ?         -56.6   -50.9  Favored     ?  ?        3  104.280     4  0.14     5  0.22  molprobity  1.000  
 42   42  mt        -58.6   -37.8  Favored     ?  ?       11  101.060     8  0.25    11  0.44  molprobity  1.000  
 43   43  ?         -67.8   -51.0  Favored     ?  ?        3   94.890     4  0.16     5  0.39  molprobity  1.000  
 44   44  mt        -57.3   -42.8  Favored     ?  ?       11   82.550     8  0.22    11  0.30  molprobity  1.000  
 45   45  tp        -61.9   -43.7  Favored     ?  ?       11   96.940     8  0.17    11  0.25  molprobity  1.000  
 46   46  tp        -68.0   -40.3  Favored     ?  ?       11   85.070     8  0.21    11  0.29  molprobity  1.000  
 47   47  ?         -67.2   -28.9  Favored     ?  ?        5   92.710     5  0.26     7  0.30  molprobity  1.000  
 48   48  t80       -73.1   -48.3  Favored     ?  ?        9  117.860    12  0.36    16  0.27  molprobity  1.000  
 49   49  mt        -54.1   -39.6  Favored     ?  ?       11  111.040     8  0.22    11  0.33  molprobity  1.000  
 50   50  mt        -70.0    -8.0  Favored     ?  ?       11   95.930     8  0.18    11  0.39  molprobity  1.000  
 51   51  mm-40     -75.3   -14.9  Favored     ?  ?        8  101.270     9  0.25    12  0.33  molprobity  1.000  
 52   52  m-30      -85.1    31.9  Allowed     ?  ?        9  107.050    12  0.38    16  0.31  molprobity  1.000  
 53   53  tp       -131.2   120.4  Favored     ?  ?       11  107.020     8  0.24    11  0.37  molprobity  1.000  
 54   54  p         -69.5   158.0  Favored     ?  ?        5  111.560     6  0.22     8  0.50  molprobity  1.000  
 55   55  ttt-85    -69.9   -30.6  Favored     ?  ?       13   91.650    11  0.27    14  0.36  molprobity  1.000  
 56   56  mmm180    -57.6   -47.9  Favored     ?  ?       13  134.150    11  0.21    14  0.34  molprobity  1.000  
 57   57  mtt180    -65.1   -40.8  Favored     ?  ?       13  124.260    11  0.23    14  0.36  molprobity  1.000  
 58   58  tp        -59.0   -45.2  Favored     ?  ?       11   90.600     8  0.24    11  0.39  molprobity  1.000  
 59   59  m-85      -81.2   -15.0  Favored     ?  ?        9   87.970    12  0.40    16  0.54  molprobity  1.000  
 60   60  ?         -68.5   -28.4  Favored     ?  ?        3  111.920     4  0.20     5  0.40  molprobity  1.000  
 61   61  mt        -86.7    11.3  Favored     ?  ?       11  101.930     8  0.15    11  0.64  molprobity  1.000  
 62   62  ?         -63.3   -42.4  Favored     ?  ?        5  108.430     5  0.36     7  0.22  molprobity  1.000  
 63   63  m-30      -83.9   -42.1  Allowed     ?  ?        9  105.430    13  0.29    19  0.38  molprobity  1.000  
 64   64  Cg_exo    -61.0   -40.8  Favored     ?  ?        7  103.540     8  0.27    11  0.42  molprobity  1.000  
 65   65  mt        -64.9   -36.7  Favored     ?  ?       11   90.810     8  0.21    11  0.31  molprobity  1.000  
 66   66  t80       -63.8   -46.8  Favored     ?  ?        9   88.730    13  0.32    18  0.46  molprobity  1.000  
 67   67  ?         -61.0   -40.8  Favored     ?  ?        3   91.240     4  0.18     5  0.34  molprobity  1.000  
 68   68  ?         -69.1   -34.5  Favored     ?  ?        5   90.040     5  0.26     7  0.36  molprobity  1.000  
 69   69  p         -70.2   -35.0  Favored     ?  ?        5   95.550     6  0.15     8  0.40  molprobity  1.000  
 70   70  mt        -63.7   -49.9  Favored     ?  ?       11   81.580     8  0.23    11  0.33  molprobity  1.000  
 71   71  mt        -65.1   -29.6  Favored     ?  ?       11   93.140     8  0.34    11  0.62  molprobity  1.000  
 72   72  mt        -76.2   -37.9  Favored     ?  ?       11   96.680     8  0.34    11  0.82  molprobity  1.000  
 73   73  mt        -59.2   -40.5  Favored     ?  ?       11  104.330     8  0.20    11  0.41  molprobity  1.000  
 74   74  ?         -67.1   -38.9  Favored     ?  ?        5  106.300     5  0.24     7  0.23  molprobity  1.000  
 75   75  tp        -72.3   -31.5  Favored     ?  ?       11  111.960     8  0.23    11  0.47  molprobity  1.000  
 76   76  p         -65.2   -27.4  Favored     ?  ?        9  110.320     7  0.19    10  0.30  molprobity  1.000  
 77   77  mt        -65.3   -28.3  Favored     ?  ?       11  107.380     8  0.25    11  0.27  molprobity  1.000  
 78   78  t         -92.4   -48.2  Favored     ?  ?        9  102.090     7  0.17    10  0.46  molprobity  1.000  
 79   79  t        -120.3    46.4  Allowed     ?  ?        9   97.930     7  0.26    10  0.30  molprobity  1.000  
 80   80  ?        -100.5   178.9  Favored     ?  ?        3  113.320     4  0.48     5  0.68  molprobity  1.000  
 81   81  mtt-85   -116.6   125.8  Favored     ?  ?       13  130.150    11  0.21    14  0.36  molprobity  1.000  
 82   82  tt0       -74.4   138.9  Favored     ?  ?        6  131.030     9  0.22    12  0.29  molprobity  1.000  
 83   83  mt       -123.4   -71.0  Allowed     ?  ?       11  138.480     8  0.22    11  0.35  molprobity  1.000  
 84   84  ?        -112.0    44.4  Allowed     ?  ?        2  122.750     5  0.21     7  0.35  molprobity  1.000  
 85   85  ?          94.0     1.5  Favored     ?  ?        3  129.960     4  0.48     5  0.54  molprobity  1.000  
 86   86  ?        -139.8   134.8  Favored     ?  ?        5  118.640     5  0.31     7  0.39  molprobity  1.000  
 87   87  ?         -88.0   106.1  Favored     ?  ?        2  105.130     5  0.23     7  0.52  molprobity  1.000  
 88   88  ?        -137.9    14.5  Favored     ?  ?        5   93.640     5  0.36     7  0.46  molprobity  1.000  
 89   89  m95      -134.8   140.2  Favored     ?  ?       10  115.830    16  0.24    23  0.24  molprobity  1.000  
 90   90  m-85      -97.0   119.4  Favored     ?  ?        9  109.960    12  0.33    16  0.48  molprobity  1.000  
 91   91  t        -117.9   109.1  Favored     ?  ?        9  130.180     7  0.26    10  0.45  molprobity  1.000  
 92   92  ?        -115.1    60.2  Allowed     ?  ?        2  157.450     5  0.24     7  0.36  molprobity  1.000  
 93   93  ?          82.6  -111.9  Favored     ?  ?        3  160.440     4  0.55     6  0.61  molprobity  1.000  
 94   94  Cg_exo    -78.0    -9.0  Favored     ?  ?        7  168.760     8  0.28    11  0.49  molprobity  1.000  
 95   95  mt        -93.5   130.0  Favored     ?  ?       11  157.410     8  0.25    11  0.32  molprobity  1.000  
 96   96  mt-30    -132.4   106.0  Favored     1  ?        8  127.370     9  0.18    12  0.28  molprobity  1.000  
 97   97  t80      -127.7   116.3  Favored     ?  ?        9  113.310    12  0.39    16  0.28  molprobity  1.000  
 98   98  tt0       -97.9   124.9  Favored     ?  ?        8  106.490     9  0.33    13  0.37  molprobity  1.000  
 99   99  Cg_exo    -68.4    -9.4  Favored     ?  ?        7  100.650     8  0.27    11  0.45  molprobity  1.000  
100  100  tp        -59.6   -39.1  Favored     ?  ?       11   98.830     8  0.23    11  0.39  molprobity  1.000  
101  101  mm-40     -68.1   -47.2  Favored     ?  ?        6   96.130     9  0.33    12  0.34  molprobity  1.000  
102  102  tp        -58.2   -38.1  Favored     ?  ?       11   93.010     8  0.24    11  0.24  molprobity  1.000  
103  103  ?         -61.6   -47.8  Favored     ?  ?        5   91.880     5  0.28     7  0.26  molprobity  1.000  
104  104  mtmm      -57.7   -51.2  Favored     ?  ?       13  102.260     9  0.28    11  0.38  molprobity  1.000  
105  105  mt        -65.9   -44.3  Favored     ?  ?       11  101.700     8  0.37    11  0.43  molprobity  1.000  
106  106  ?         -61.5   -42.0  Favored     ?  ?        3   93.010     4  0.12     5  0.36  molprobity  1.000  
107  107  tp        -68.6   -39.8  Favored     ?  ?       11   95.210     8  0.19    11  0.34  molprobity  1.000  
108  108  mt        -59.0   -47.3  Favored     ?  ?       11   93.890     8  0.22    11  0.58  molprobity  1.000  
109  109  mt        -63.2   -47.1  Favored     ?  ?       11   85.540     8  0.25    11  0.23  molprobity  1.000  
110  110  ?         -62.2   -44.5  Favored     ?  ?        5  105.150     5  0.25     7  0.33  molprobity  1.000  
111  111  tp        -69.4   -39.1  Favored     ?  ?       11  102.150     8  0.25    11  0.27  molprobity  1.000  
112  112  ?         -60.8   -45.4  Favored     ?  ?        5  108.340     5  0.29     7  0.41  molprobity  1.000  
113  113  tttt      -69.6   -46.0  Favored     ?  ?       13   98.350     9  0.28    11  0.33  molprobity  1.000  
114  114  ?         -72.0   -10.3  Favored     ?  ?        5   92.770     5  0.26     7  0.65  molprobity  1.000  
115  115  mt       -114.8    32.7  Favored     ?  ?       11  126.120     8  0.22    11  0.28  molprobity  1.000  
116  116  pt-20    -110.5    -1.0  Favored     ?  ?        6  134.940     9  0.29    12  0.63  molprobity  1.000  
117  117  ?         -84.6   111.5  Favored     ?  ?        3  141.310     4  0.20     5  0.32  molprobity  1.000  
118  118  ?         -59.0   -48.9  Favored     ?  ?        2  144.130     5  0.37     8  0.83  molprobity  1.000  
119  119  Cg_exo    -80.2   138.0  Favored     ?  ?        7  159.710     8  0.20    11  0.46  molprobity  1.000  
120  120  mt       -139.2   156.0  Favored     ?  ?       11  150.130     8  0.21    11  0.68  molprobity  1.000  
121  121  ?         -61.7   155.5  Favored     ?  ?        5  164.400     5  0.28     7  0.45  molprobity  1.000  
122  122  ?         -71.7    -4.8  Favored     ?  ?        2  156.010     5  0.24     7  0.57  molprobity  1.000  
123  123  p        -105.6   -36.4  Favored     ?  ?        9  146.480     7  0.14    10  0.31  molprobity  1.000  
124  124  m95       -72.8   -12.5  Favored     ?  ?       10  132.730    16  0.18    23  0.33  molprobity  1.000  
125  125  m-20      -58.8   -26.6  Favored     ?  ?        4  140.520     8  0.24    11  0.27  molprobity  1.000  
126  126  m-85      -94.7   -39.5  Favored     ?  ?        9  130.560    13  0.24    18  0.25  molprobity  1.000  
127  127  ?         -81.9   -43.0  Favored     ?  ?        5  124.940     5  0.27     7  0.39  molprobity  1.000  
128  128  tp        -58.7   -55.1  Favored     ?  ?       11  127.520     8  0.38    12  0.67  molprobity  1.000  
129  129  Cg_exo    -61.4   -34.7  Favored     ?  ?        7  113.940     8  0.26    11  0.24  molprobity  1.000  
130  130  ?         -60.0   -56.5  Favored     ?  ?        5  109.750     5  0.25     7  0.60  molprobity  1.000  
131  131  pp        -72.8   -12.8  Favored     ?  ?       11  110.220     8  0.23    11  0.73  molprobity  1.000  
132  132  mt        -91.0   -25.1  Favored     ?  ?       11  112.800     8  0.22    11  0.44  molprobity  1.000  
133  133  m         -95.0   -37.3  Favored     ?  ?        7  105.840     7  0.19    10  0.62  molprobity  1.000  
134  134  mt        -58.9   -43.1  Favored     ?  ?       11   95.100     8  0.27    12  0.74  molprobity  1.000  
135  135  Cg_exo    -57.1   -39.6  Favored     ?  ?        7   99.060     8  0.24    11  0.25  molprobity  1.000  
136  136  t         -67.6   -50.1  Favored     ?  ?        9   97.800     7  0.19    10  0.38  molprobity  1.000  
137  137  t         -65.0   -36.6  Favored     ?  ?        9   98.430     7  0.23    10  0.52  molprobity  1.000  
138  138  ?         -67.0   -44.2  Favored     ?  ?        3   95.470     4  0.16     5  0.38  molprobity  1.000  
139  139  mp        -70.5   -18.5  Favored     ?  ?       11   89.790     8  0.25    11  0.40  molprobity  1.000  
140  140  mt        -79.7   -27.4  Favored     ?  ?       11  105.980     8  0.20    11  0.35  molprobity  1.000  
141  141  mt        -84.9   -16.6  Favored     ?  ?       11   90.350     8  0.22    11  0.35  molprobity  1.000  
142  142  mp        -77.6    -4.8  Favored     ?  ?       11   91.890     8  0.25    11  0.48  molprobity  1.000  
143  143  mt-30     -77.0   -50.8  Favored     1  Y        8  112.330     9  0.31    13  0.90  molprobity  1.000  
144  144  Cg_endo   -94.5   138.4  Favored     ?  ?        7  113.130     8  0.19    11  0.35  molprobity  1.000  
145  145  t70      -139.2   100.8  Favored     ?  ?        4  125.670     8  0.29    11  0.66  molprobity  1.000  
146  146  pp        -93.5    -8.5  Favored     ?  ?       11  118.800     8  0.24    11  0.88  molprobity  1.000  
147  147  ?         -66.5   -50.9  Favored     ?  ?        3  113.810     4  0.32     5  0.53  molprobity  1.000  
148  148  ?         -61.7   -34.5  Favored     ?  ?        3  110.970     4  0.21     5  0.32  molprobity  1.000  
149  149  ?         -61.6   -42.6  Favored     ?  ?        5  101.670     5  0.25     7  0.25  molprobity  1.000  
150  150  mt        -63.1   -44.9  Favored     ?  ?       11  104.970     8  0.23    11  0.29  molprobity  1.000  
151  151  t         -58.3   -49.1  Favored     ?  ?        9   91.440     7  0.42    10  0.49  molprobity  1.000  
152  152  t         -59.6   -51.4  Favored     ?  ?        9   83.080     7  0.29    10  0.41  molprobity  1.000  
153  153  tp        -61.1   -41.7  Favored     ?  ?       11   95.870     8  0.18    11  0.39  molprobity  1.000  
154  154  t80       -68.3   -37.7  Favored     ?  ?        9  101.490    12  0.44    16  0.41  molprobity  1.000  
155  155  ?         -56.1   -50.4  Favored     ?  ?        3   97.160     4  0.17     5  0.32  molprobity  1.000  
156  156  t         -57.1   -40.5  Favored     ?  ?        9   81.360     7  0.22    10  0.42  molprobity  1.000  
157  157  t80       -57.8   -45.7  Favored     ?  ?        9  104.940    12  0.35    16  0.32  molprobity  1.000  
158  158  t         -65.0   -43.8  Favored     ?  ?        9   96.550     7  0.26    10  0.44  molprobity  1.000  
159  159  t         -58.4   -50.3  Favored     ?  ?        9   79.820     7  0.23    10  0.38  molprobity  1.000  
160  160  t         -61.7   -44.8  Favored     ?  ?        9   90.560     7  0.22    10  0.35  molprobity  1.000  
161  161  t80       -65.0   -45.9  Favored     ?  ?        9   92.370    12  0.36    16  0.35  molprobity  1.000  
162  162  t         -63.5   -35.4  Favored     ?  ?        9   96.950     7  0.24    10  0.53  molprobity  1.000  
163  163  tpt85     -65.8   -53.7  Favored     ?  ?       13  106.770    11  0.27    14  0.97  molprobity  1.000  
164  164  ?         114.7    55.0  Allowed     ?  ?        3  117.680     4  0.47     5  0.69  molprobity  1.000  
165  165  mt       -133.7   174.5  Favored     ?  ?       11  120.690     8  0.30    12  0.67  molprobity  1.000  
166  166  Cg_endo   -61.6   120.1  Favored     ?  ?        7  125.770     8  0.19    11  0.53  molprobity  1.000  
167  167  p-90     -122.8   -11.9  Favored     ?  ?       10  123.820    16  0.26    23  0.45  molprobity  1.000  
168  168  mtt-85    -66.0   -39.6  Favored     ?  ?       13  134.870    11  0.20    14  0.31  molprobity  1.000  
169  169  p-80      -60.9   -33.4  Favored     ?  ?        7  115.150    11  0.18    15  0.25  molprobity  1.000  
170  170  mt        -67.0   -40.7  Favored     ?  ?       11  116.110     8  0.18    11  0.39  molprobity  1.000  
171  171  mt        -66.6   -38.2  Favored     ?  ?       11  101.650     8  0.22    11  0.27  molprobity  1.000  
172  172  t         -56.0   -54.3  Favored     ?  ?        9   97.940     7  0.33    10  0.49  molprobity  1.000  
173  173  ?         -56.7   -37.4  Favored     ?  ?        3  104.660     4  0.11     5  0.19  molprobity  1.000  
174  174  tp        -66.8   -50.9  Favored     ?  ?       11  107.550     8  0.25    11  0.31  molprobity  1.000  
175  175  t80       -65.2   -35.6  Favored     ?  ?        9  105.990    12  0.38    16  0.31  molprobity  1.000  
176  176  ?         -68.2   -41.6  Favored     ?  ?        5   99.030     5  0.25     7  0.21  molprobity  1.000  
177  177  tp        -64.3   -33.1  Favored     ?  ?       11  115.130     8  0.23    11  0.48  molprobity  1.000  
178  178  ?         -76.3    -0.9  Favored     ?  ?        5  105.890     5  0.30     7  0.66  molprobity  1.000  
179  179  mp        -98.9   -23.0  Favored     ?  ?       11  105.130     8  0.20    11  0.71  molprobity  1.000  
180  180  mp        -82.0    14.0  Favored     ?  ?       11  112.870     8  0.28    11  0.39  molprobity  1.000  
181  181  t             ?       ?  ?           ?  ?        9  131.030     6  0.14     7  0.63  molprobity  1.000  
182  182  ?             ?       ?  ?           ?  ?        1  151.740     5  0.12     7  0.26  molprobity  1.000  
183  183  ?         115.5  -173.0  Favored     ?  ?        3  140.830     4  0.24     5  0.71  molprobity  1.000  
184  184  p         -71.3   -26.8  Favored     ?  ?        5  140.650     6  0.24     8  0.49  molprobity  1.000  
185  185  ?         -95.9   -51.7  Allowed     ?  ?        3  133.130     4  0.25     5  0.40  molprobity  1.000  
186  186  ?         100.8  -154.6  Favored     ?  ?        3  131.480     4  0.28     5  0.28  molprobity  1.000  
187  187  mt       -108.2   -29.6  Favored     ?  ?       11  136.910     8  0.20    11  0.51  molprobity  1.000  
188  188  m-85       65.2    45.2  Favored     ?  ?        9  129.700    12  0.33    16  0.32  molprobity  1.000  
189  189  ?          82.4    21.1  Favored     ?  ?        3  130.970     4  0.29     5  0.59  molprobity  1.000  
190  190  mttt          ?       ?  ?           ?  ?       13  120.130     8  0.20     8  0.26  molprobity  1.000  
191  191  ?             ?       ?  ?           ?  ?        1  124.340     5  0.15     7  0.47  molprobity  1.000  
192  192  ?         -69.2   171.5  Favored     ?  ?        2  138.190     5  0.21     7  0.50  molprobity  1.000  
193  193  m         -64.2   -54.8  Favored     ?  ?        7  138.480     7  0.22    10  0.64  molprobity  1.000  
194  194  ?         -53.2   -15.9  Allowed     ?  ?        5  119.680     5  0.33     7  0.34  molprobity  1.000  
195  195  t80       -59.1   -43.9  Favored     ?  ?        9  137.580    12  0.38    16  0.25  molprobity  1.000  
196  196  t         -53.9   -29.1  Favored     ?  ?        9  121.670     7  0.24    10  0.47  molprobity  1.000  
197  197  t80       -96.3   -34.6  Favored     ?  ?        9  118.540    12  0.28    16  0.50  molprobity  1.000  
198  198  p         -66.4   -27.0  Favored     ?  ?        5  112.460     6  0.29     8  0.37  molprobity  1.000  
199  199  t         -79.7   -37.0  Favored     ?  ?        9  106.870     7  0.49    10  0.85  molprobity  1.000  
200  200  t-105     -66.3   -42.3  Favored     ?  ?       10  104.430    16  0.28    23  0.51  molprobity  1.000  
201  201  ?         -66.7   -25.6  Favored     ?  ?        5  108.530     5  0.25     7  0.35  molprobity  1.000  
202  202  tt0       -97.5   -36.6  Favored     ?  ?        6  123.750     9  0.20    12  0.54  molprobity  1.000  
203  203  mt-10     -80.8   -16.0  Favored     ?  ?        6  118.660     9  0.27    12  0.36  molprobity  1.000  
204  204  m95      -124.0   -11.2  Favored     ?  ?       10  108.810    16  0.20    23  0.45  molprobity  1.000  
205  205  ?          66.4  -153.2  Favored     ?  ?        3  121.160     4  0.41     5  0.71  molprobity  1.000  
206  206  t80       -68.8   -37.8  Favored     ?  ?        9  126.000    12  0.40    16  0.33  molprobity  1.000  
207  207  t         -65.4   -37.8  Favored     ?  ?        9  120.540     7  0.29    10  0.56  molprobity  1.000  
208  208  ?         -64.8   -49.2  Favored     ?  ?        3  114.120     4  0.17     5  0.51  molprobity  1.000  
209  209  m         -66.5   -38.1  Favored     ?  ?        9  106.900     7  0.24    10  0.36  molprobity  1.000  
210  210  t         -62.8   -42.5  Favored     ?  ?        9  113.720     7  0.28    10  0.58  molprobity  1.000  
211  211  ?         -67.2   -39.1  Favored     ?  ?        3  120.030     4  0.17     5  0.36  molprobity  1.000  
212  212  tp        -69.2   -45.5  Favored     ?  ?       11  116.730     8  0.29    11  0.30  molprobity  1.000  
213  213  mt        -62.6   -30.2  Favored     ?  ?       11  117.600     8  0.22    11  0.55  molprobity  1.000  
214  214  ?         -69.9   -40.0  Favored     ?  ?        3  114.210     4  0.15     5  0.33  molprobity  1.000  
215  215  mt        -61.3   -41.2  Favored     ?  ?       11  116.480     8  0.25    11  0.50  molprobity  1.000  
216  216  m-85      -69.6   -35.1  Favored     ?  ?        9  105.590    13  0.35    18  0.46  molprobity  1.000  
217  217  ?         -65.8   -42.0  Favored     ?  ?        3  104.730     4  0.15     5  0.23  molprobity  1.000  
218  218  mt        -64.9   -36.3  Favored     ?  ?       11   99.880     8  0.23    11  0.45  molprobity  1.000  
219  219  OUTLIER   -65.5   -45.7  Favored     ?  ?       11  100.280     8  0.25    11  0.36  molprobity  1.000  
220  220  mt        -64.3   -35.8  Favored     ?  ?       11  102.940     8  0.26    11  0.32  molprobity  1.000  
221  221  ?         -64.0   -46.2  Favored     ?  ?        5  110.420     5  0.24     7  0.37  molprobity  1.000  
222  222  ?         -66.6   -34.6  Favored     ?  ?        2  100.590     5  0.19     7  0.26  molprobity  1.000  
223  223  mt        -63.3   -49.2  Favored     ?  ?       11  105.170     8  0.24    11  0.32  molprobity  1.000  
224  224  m-85      -69.9   -22.8  Favored     ?  ?        9  121.100    12  0.37    16  0.33  molprobity  1.000  
225  225  ?         -73.7   -42.5  Favored     ?  ?        5  121.100     5  0.24     7  0.27  molprobity  1.000  
226  226  mt        -63.7   -29.6  Favored     ?  ?       11   95.650     8  0.27    11  0.31  molprobity  1.000  
227  227  ?         -64.6   -51.7  Favored     ?  ?        5  121.160     5  0.31     7  0.24  molprobity  1.000  
228  228  pp        -77.4     5.0  Favored     ?  ?       11  143.320     8  0.29    11  0.82  molprobity  1.000  
229  229  ?        -102.3    19.6  Favored     ?  ?        5  135.740     5  0.29     7  0.42  molprobity  1.000  
230  230  m        -115.2   128.4  Favored     ?  ?        5  136.440     6  0.40     9  0.62  molprobity  1.000  
231  231  Cg_exo    -68.3   -45.7  Favored     ?  ?        7  135.760     8  0.25    11  0.27  molprobity  1.000  
232  232  mtm-85    -66.1   140.9  Favored     ?  ?       13  112.720    11  0.22    14  0.45  molprobity  1.000  
233  233  tp        -74.3   -37.0  Favored     ?  ?       11  105.850     8  0.26    11  0.37  molprobity  1.000  
234  234  p         -57.3   -38.6  Favored     ?  ?        5  105.870     6  0.24     8  0.35  molprobity  1.000  
235  235  m-20      -66.7   -45.4  Favored     ?  ?        4   99.490     8  0.25    11  0.29  molprobity  1.000  
236  236  ?         -51.8   -49.5  Favored     ?  ?        2   97.480     5  0.26     7  0.27  molprobity  1.000  
237  237  mt        -61.6   -44.5  Favored     ?  ?       11   83.860     8  0.20    11  0.43  molprobity  1.000  
238  238  t80       -63.3   -49.2  Favored     ?  ?        9   93.020    12  0.35    16  0.29  molprobity  1.000  
239  239  mp        -59.1   -42.6  Favored     ?  ?       11  106.120     8  0.24    11  0.46  molprobity  1.000  
240  240  p         -70.0   -38.0  Favored     ?  ?        5  103.410     6  0.30     8  0.57  molprobity  1.000  
241  241  ?         -61.4   -43.6  Favored     ?  ?        3  101.180     4  0.15     5  0.28  molprobity  1.000  
242  242  t80       -60.8   -49.6  Favored     ?  ?        9   96.280    12  0.41    16  0.28  molprobity  1.000  
243  243  ?         -61.0   -38.8  Favored     ?  ?        5  107.010     5  0.36     7  0.44  molprobity  1.000  
244  244  ?         -60.6   -50.3  Favored     ?  ?        3   94.080     4  0.11     5  0.30  molprobity  1.000  
245  245  mtt       -58.0   -42.2  Favored     ?  ?        9   85.040     8  0.30    10  0.37  molprobity  1.000  
246  246  tt        -64.0   -55.1  Favored     ?  ?       11   86.930     8  0.33    11  0.53  molprobity  1.000  
247  247  ?         -55.1   -33.4  Favored     ?  ?        3   95.500     4  0.15     5  0.36  molprobity  1.000  
248  248  t80       -70.8   -41.6  Favored     ?  ?        9   87.850    12  0.41    16  0.30  molprobity  1.000  
249  249  mt-30     -60.4   -40.6  Favored     1  ?        8   88.530     9  0.29    12  0.27  molprobity  1.000  
250  250  t         -61.4   -48.4  Favored     ?  ?        9  103.670     7  0.23    10  0.59  molprobity  1.000  
251  251  m         -74.1   -22.2  Favored     ?  ?        9   98.650     7  0.34    10  0.36  molprobity  1.000  
252  252  t         -67.8   -45.8  Favored     ?  ?        9   99.590     7  0.32    10  0.60  molprobity  1.000  
253  253  m-80      -65.5   -30.0  Favored     ?  ?        6  110.470     8  0.20    11  0.38  molprobity  1.000  
254  254  mt        -58.5   -56.7  Favored     ?  ?       11  121.560     8  0.30    11  0.95  molprobity  1.000  
255  255  ?         -67.0   -29.1  Favored     ?  ?        3  134.550     4  0.21     5  0.51  molprobity  1.000  
256  256  t         -66.0   -46.5  Favored     ?  ?        9  142.550     7  0.22    10  0.35  molprobity  1.000  
257  257  ?         -67.2   -29.5  Favored     ?  ?        5  133.030     5  0.21     7  0.64  molprobity  1.000  
258  258  ?        -107.8    48.4  Allowed     ?  ?        2  147.100     5  0.27     7  0.36  molprobity  1.000  
259  259  ?          40.6    61.3  Allowed     ?  ?        3  139.500     4  0.14     5  0.69  molprobity  1.000  
260  260  ?        -123.2   -69.0  Allowed     ?  ?        2  161.880     5  0.88     7  1.28  molprobity  1.000  
261  261  ttp       -97.9   156.3  Favored     ?  ?        9  169.320     8  0.72    11  1.15  molprobity  1.000  
262  262  Cg_exo    -66.7   149.3  Favored     ?  ?        7  166.020     8  0.64    11  1.05  molprobity  1.000  
263  263  p         -63.8   150.0  Favored     ?  ?        9  140.830     7  0.55    10  0.94  molprobity  1.000  
264  264  p        -126.1   170.9  Favored     ?  ?        7  128.300     7  0.48    10  0.89  molprobity  1.000  
265  265  ?         -76.9    14.5  Favored     ?  ?        3  123.210     4  0.44     5  0.20  molprobity  1.000  
266  266  mt        -84.2   117.0  Favored     ?  ?       11  109.550     8  0.22    11  0.42  molprobity  1.000  
267  267  p         -86.3   166.2  Favored     ?  ?        7  124.660     7  0.25    10  0.62  molprobity  1.000  
268  268  tp        -75.0   116.5  Favored     ?  ?       11  106.650     8  0.30    12  0.40  molprobity  1.000  
269  269  Cg_endo   -63.3   136.1  Favored     ?  ?        7   86.300     8  0.25    11  0.59  molprobity  1.000  
270  270  mt         71.5   -12.4  Allowed     ?  ?       11   95.600     8  0.21    11  0.55  molprobity  1.000  
271  271  t80      -114.7   -50.1  Favored     ?  ?        9  108.510    12  0.37    16  0.44  molprobity  1.000  
272  272  m         -72.9   161.9  Favored     ?  ?        5  108.610     6  0.23     8  0.50  molprobity  1.000  
273  273  t80       -66.8   143.4  Favored     ?  ?        9  101.060    13  0.45    18  0.32  molprobity  1.000  
274  274  ?         143.3   111.0  Allowed     ?  ?        3  109.900     4  0.26     5  0.55  molprobity  1.000  
275  275  ?         -71.7   -40.1  Favored     ?  ?        3   98.130     4  0.19     5  0.28  molprobity  1.000  
276  276  p         -67.5   -42.4  Favored     ?  ?        5  110.050     6  0.16     8  0.29  molprobity  1.000  
277  277  t         -63.8   -43.6  Favored     ?  ?        5  102.810     6  0.16     8  0.19  molprobity  1.000  
278  278  tp        -57.4   -52.5  Favored     ?  ?       11   80.350     8  0.32    11  0.43  molprobity  1.000  
279  279  mt        -59.5   -43.4  Favored     ?  ?       11   80.850     8  0.18    11  0.30  molprobity  1.000  
280  280  ?         -69.5   -38.1  Favored     ?  ?        5   73.970     5  0.24     7  0.30  molprobity  1.000  
281  281  m         -64.9   -40.5  Favored     ?  ?        7   84.160     7  0.18    10  0.54  molprobity  1.000  
282  282  mt        -63.8   -40.8  Favored     ?  ?       11   70.290     8  0.22    11  0.53  molprobity  1.000  
283  283  ?         -65.0   -44.5  Favored     ?  ?        5   80.810     5  0.35     7  0.56  molprobity  1.000  
284  284  ?         -61.9   -38.8  Favored     ?  ?        3   87.480     4  0.12     5  0.41  molprobity  1.000  
285  285  mt        -67.7   -33.6  Favored     ?  ?       11   86.110     8  0.25    11  0.68  molprobity  1.000  
286  286  ?         -64.2   -42.8  Favored     ?  ?        3   90.740     4  0.14     5  0.32  molprobity  1.000  
287  287  mp        -58.6   -48.3  Favored     ?  ?       11   90.390     8  0.24    11  0.47  molprobity  1.000  
288  288  p         -64.2   -35.4  Favored     ?  ?        9   87.130     7  0.42    10  0.53  molprobity  1.000  
289  289  tp        -69.4   -39.0  Favored     ?  ?       11   88.130     8  0.26    11  0.39  molprobity  1.000  
290  290  OUTLIER   -72.9   -32.4  Favored     ?  ?       11   94.180     8  0.28    11  1.22  molprobity  1.000  
291  291  m         -74.9   -24.6  Favored     ?  ?        9   83.840     7  0.54    10  0.43  molprobity  1.000  
292  292  t-80      -74.1   -36.4  Favored     ?  ?        7   92.530    11  0.22    15  0.35  molprobity  1.000  
293  293  ptt85     -72.2   -23.8  Favored     ?  ?       13  102.400    11  0.17    14  0.45  molprobity  1.000  
294  294  m-20     -100.0    23.3  Favored     ?  ?        4  104.390     8  0.25    11  0.39  molprobity  1.000  
295  295  ptt-85    -70.0   -28.0  Favored     ?  ?       13  100.470    11  0.29    14  0.46  molprobity  1.000  
296  296  m-85     -107.7    65.3  Allowed     ?  ?        9   97.490    13  0.25    18  0.40  molprobity  1.000  
297  297  ?        -156.0   166.2  Favored     ?  ?        2  107.580     5  0.17     7  0.63  molprobity  1.000  
298  298  ?             ?       ?  ?           ?  ?        2  138.000     4  0.09     4  0.13  molprobity  1.000  
299  299  ?             ?       ?  ?           ?  ?        ?  125.920     ?     ?     ?     ?  ?           1.000  
300  300  ?             ?       ?  ?           ?  ?        ?  113.180     ?     ?     ?     ?  ?           1.000  
301  301  ?             ?       ?  ?           ?  ?        ?  104.190     ?     ?     ?     ?  ?           1.000  
302  302  ?             ?       ?  ?           ?  ?        ?   89.360     ?     ?     ?     ?  ?           1.000  
303  303  ?             ?       ?  ?           ?  ?        ?   83.680     ?     ?     ?     ?  ?           1.000  
304  304  ?             ?       ?  ?           ?  ?        ?   97.000     ?     ?     ?     ?  ?           1.000  
305  305  ?             ?       ?  ?           ?  ?        ?   81.920     ?     ?     ?     ?  ?           1.000  
306  306  ?             ?       ?  ?           ?  ?        ?   87.510     ?     ?     ?     ?  ?           1.000  
307  307  ?             ?       ?  ?           ?  ?        ?   62.080     ?     ?     ?     ?  ?           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    1  CD1    1  0.53  2.43  
 2    1  HD1    2  0.51  1.76  
 3    3  HB2    1  0.53  2.43  
 4    3  HB2    2  0.51  1.76  
 5   18  HA     3  0.42  2.01  
 6   21  HG22   3  0.42  2.01  
 7   26  HA     4  0.40  2.04  
 8   27  HB2    5  0.51  2.46  
 9   36  HE21   6  0.58  1.69  
10   43  HA3    7  0.46  1.96  
11   55  HD3    8  0.43  1.84  
12   55  CD     9  0.42  2.33  
13   69  HB3   10  0.54  1.88  
14   72  HD23  11  0.42  1.74  
15   72  HA    11  0.42  1.74  
16   73  HD23  12  0.53  1.89  
17   73  O     13  0.49  2.13  
18   76  HG12  13  0.49  2.13  
19   81  HD2   14  0.47  1.96  
20   82  OE2   15  0.50  2.11  
21   85  HA2   15  0.50  2.11  
22   91  HB    14  0.47  1.96  
23   98  HG2   16  0.45  1.81  
24   99  HB2   12  0.53  1.89  
25  100  H     16  0.45  1.81  
26  100  O     17  0.42  2.19  
27  101  CD    18  0.43  2.21  
28  102  HG    10  0.54  1.88  
29  104  HZ1   18  0.43  2.21  
30  104  HG3   17  0.42  2.19  
31  111  O     19  0.41  2.21  
32  111  HD12  20  0.41  1.95  
33  111  HA    20  0.41  1.95  
34  113  NZ    21  0.64  2.30  
35  115  HB2   19  0.41  2.21  
36  128  HB3   22  0.51  1.93  
37  129  HD3   22  0.51  1.93  
38  140  HD23  23  0.57  1.70  
39  143  HE22  23  0.57  1.70  
40  146  HD11  24  0.51  1.93  
41  146  HD21  25  0.41  2.01  
42  165  HB3   26  0.52  1.92  
43  166  HD2   26  0.52  1.92  
44  181  HG13  24  0.51  1.93  
45  181  HA    25  0.41  2.01  
46  187  H     27  0.43  1.82  
47  187  HB2   28  0.42  2.02  
48  195  CE2    5  0.51  2.46  
49  195  O     29  0.41  2.21  
50  199  HG23  29  0.41  2.21  
51  199  HG11   4  0.40  2.04  
52  203  HA    27  0.43  1.82  
53  203  HA    28  0.42  2.02  
54  213  HD21  30  0.56  1.88  
55  222  O     31  0.41  2.21  
56  226  HG    31  0.41  2.21  
57  232  HH21   8  0.43  1.84  
58  232  HH21   9  0.42  2.33  
59  252  HG11  32  0.58  1.85  
60  254  HD21  30  0.56  1.88  
61  256  HG11  33  0.50  1.92  
62  263  HG23  33  0.50  1.92  
63  266  HD12  32  0.58  1.85  
64  267  HB    34  0.47  1.96  
65  272  HB2   34  0.47  1.96  
66  278  HD22   6  0.58  1.69  
67  282  HD12   7  0.46  1.96  
68  285  O     35  0.45  2.16  
69  285  HA    36  0.40  2.03  
70  288  HA    37  0.46  1.96  
71  288  HG12  35  0.45  2.16  
72  288  HG12  36  0.40  2.03  
73  290  HA    38  0.40  2.04  
74  291  HG22  37  0.46  1.96  
75  293  HG2   38  0.40  2.04  
76  300  O     21  0.64  2.30  
#
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  14  0.617  0.446   2.040  
  2    2   8  0.743  0.336   0.598  
  3    3   5  0.811  0.174  -0.401  
  4    4  12  0.841  0.257   0.069  
  5    5   8  0.815  0.165  -0.532  
  6    6  14  0.849  0.562   3.198  
  7    7   4  0.899  0.255   0.472  
  8    8   8  0.960  0.300   0.282  
  9    9   7  0.965  0.266   0.135  
 10   10  11  0.890  0.355   0.797  
 11   11   8  0.939  0.238  -0.261  
 12   12   7  0.955  0.230  -0.187  
 13   13   5  0.938  0.144  -0.680  
 14   14   5  0.931  0.115  -0.950  
 15   15   8  0.911  0.189  -0.659  
 16   16   7  0.934  0.140  -0.990  
 17   17   5  0.954  0.141  -0.708  
 18   18   8  0.928  0.187  -0.708  
 19   19   4  0.971  0.141  -0.551  
 20   20  11  0.936  0.170  -0.825  
 21   21   7  0.915  0.237  -0.124  
 22   22   8  0.934  0.166  -0.510  
 23   23   8  0.948  0.302   0.300  
 24   24   4  0.896  0.174  -0.255  
 25   25   6  0.924  0.211   0.079  
 26   26   5  0.950  0.225   0.073  
 27   27   5  0.885  0.286   0.641  
 28   28   7  0.759  0.419   2.005  
 29   29   8  0.875  0.488   2.791  
 30   30   7  0.940  0.502   2.831  
 31   31   7  0.891  0.500   2.224  
 32   32   8  0.927  0.211  -0.498  
 33   33   8  0.880  0.204  -0.559  
 34   34  12  0.831  0.250   0.004  
 35   35  11  0.865  0.369   0.761  
 36   36   9  0.949  0.177  -0.625  
 37   37   6  0.891  0.177  -0.278  
 38   38   7  0.954  0.222  -0.258  
 39   39   5  0.952  0.114  -0.959  
 40   40   8  0.961  0.170  -0.857  
 41   41   4  0.959  0.082  -1.081  
 42   42   8  0.957  0.217  -0.445  
 43   43   4  0.915  0.149  -0.479  
 44   44   8  0.915  0.201  -0.585  
 45   45   8  0.922  0.271   0.028  
 46   46   8  0.950  0.172  -0.840  
 47   47   5  0.876  0.187  -0.280  
 48   48  11  0.892  0.286   0.192  
 49   49   8  0.941  0.322   0.475  
 50   50   8  0.943  0.143  -1.094  
 51   51   9  0.954  0.139  -0.989  
 52   52  11  0.862  0.218  -0.404  
 53   53   8  0.922  0.265  -0.025  
 54   54   6  0.912  0.139  -0.677  
 55   55  11  0.923  0.155  -0.930  
 56   56  11  0.930  0.270  -0.021  
 57   57  11  0.895  0.157  -0.914  
 58   58   8  0.965  0.303   0.309  
 59   59  11  0.947  0.202  -0.544  
 60   60   4  0.954  0.106  -0.865  
 61   61   8  0.922  0.209  -0.515  
 62   62   5  0.974  0.204  -0.122  
 63   63  12  0.909  0.177  -0.674  
 64   64   7  0.946  0.132  -0.851  
 65   65   8  0.911  0.221  -0.410  
 66   66  12  0.921  0.194  -0.516  
 67   67   4  0.947  0.137  -0.587  
 68   68   5  0.959  0.144  -0.680  
 69   69   6  0.967  0.184  -0.205  
 70   70   8  0.973  0.179  -0.778  
 71   71   8  0.931  0.248  -0.174  
 72   72   8  0.962  0.253  -0.130  
 73   73   8  0.959  0.187  -0.708  
 74   74   5  0.958  0.197  -0.187  
 75   75   8  0.948  0.320   0.457  
 76   76   7  0.941  0.198  -0.472  
 77   77   8  0.965  0.309   0.361  
 78   78   7  0.938  0.327   0.679  
 79   79   7  0.891  0.206  -0.401  
 80   80   4  0.921  0.219   0.149  
 81   81  11  0.870  0.379   0.840  
 82   82   9  0.852  0.193  -0.556  
 83   83   8  0.861  0.353   0.824  
 84   84   5  0.839  0.257   0.451  
 85   85   4  0.888  0.276   0.661  
 86   86   5  0.859  0.157  -0.559  
 87   87   5  0.929  0.167  -0.835  
 88   88   5  0.949  0.123  -0.875  
 89   89  14  0.955  0.217  -0.246  
 90   90  11  0.943  0.185  -0.693  
 91   91   7  0.861  0.362   0.992  
 92   92   5  0.802  0.362   0.826  
 93   93   4  0.883  0.477   2.465  
 94   94   7  0.815  0.372   1.537  
 95   95   8  0.904  0.412   1.264  
 96   96   9  0.868  0.208  -0.328  
 97   97  11  0.906  0.200  -0.562  
 98   98   9  0.921  0.243   0.008  
 99   99   7  0.961  0.193  -0.244  
100  100   8  0.952  0.170  -0.857  
101  101   9  0.909  0.193  -0.556  
102  102   8  0.964  0.167  -0.883  
103  103   5  0.975  0.184  -0.308  
104  104   9  0.956  0.181  -0.821  
105  105   8  0.944  0.208  -0.524  
106  106   4  0.960  0.153  -0.443  
107  107   8  0.960  0.196  -0.629  
108  108   8  0.974  0.180  -0.770  
109  109   8  0.956  0.217  -0.445  
110  110   5  0.964  0.143  -0.689  
111  111   8  0.959  0.183  -0.743  
112  112   5  0.953  0.145  -0.671  
113  113   9  0.934  0.142  -1.126  
114  114   5  0.969  0.140  -0.717  
115  115   8  0.938  0.325   0.501  
116  116   9  0.848  0.478   1.942  
117  117   4  0.833  0.344   1.271  
118  118   5  0.767  0.355   0.650  
119  119   7  0.930  0.156  -0.612  
120  120   8  0.906  0.270   0.073  
121  121   5  0.903  0.403   1.729  
122  122   5  0.750  0.239  -0.266  
123  123   7  0.877  0.217  -0.303  
124  124  14  0.881  0.242   0.004  
125  125   8  0.912  0.206  -0.110  
126  126  12  0.884  0.267   0.162  
127  127   5  0.975  0.192  -0.233  
128  128   8  0.979  0.138  -1.138  
129  129   7  0.964  0.193  -0.244  
130  130   5  0.973  0.132  -0.792  
131  131   8  0.929  0.203  -0.568  
132  132   8  0.944  0.205  -0.550  
133  133   7  0.964  0.194  -0.210  
134  134   8  0.953  0.278   0.089  
135  135   7  0.954  0.101  -1.159  
136  136   7  0.978  0.191  -0.535  
137  137   7  0.970  0.302   0.456  
138  138   4  0.936  0.164  -0.345  
139  139   8  0.934  0.166  -0.892  
140  140   8  0.941  0.305   0.326  
141  141   8  0.940  0.348   0.703  
142  142   8  0.927  0.290   0.195  
143  143   9  0.901  0.152  -0.865  
144  144   7  0.949  0.231   0.134  
145  145   8  0.868  0.268   0.528  
146  146   8  0.917  0.318   0.440  
147  147   4  0.894  0.178  -0.219  
148  148   4  0.942  0.186  -0.147  
149  149   5  0.963  0.179  -0.354  
150  150   8  0.950  0.242  -0.226  
151  151   7  0.963  0.177  -0.660  
152  152   7  0.971  0.214  -0.329  
153  153   8  0.963  0.286   0.160  
154  154  11  0.926  0.354   0.788  
155  155   4  0.947  0.119  -0.749  
156  156   7  0.964  0.215  -0.321  
157  157  11  0.929  0.281   0.148  
158  158   7  0.969  0.190  -0.544  
159  159   7  0.975  0.131  -1.071  
160  160   7  0.968  0.194  -0.508  
161  161  11  0.928  0.203  -0.535  
162  162   7  0.946  0.212  -0.347  
163  163  11  0.947  0.273   0.002  
164  164   4  0.925  0.125  -0.695  
165  165   8  0.894  0.234  -0.296  
166  166   7  0.920  0.229   0.114  
167  167  14  0.918  0.255   0.134  
168  168  11  0.882  0.187  -0.677  
169  169  10  0.894  0.270   0.448  
170  170   8  0.951  0.360   0.808  
171  171   8  0.957  0.566   2.613  
172  172   7  0.941  0.375   1.108  
173  173   4  0.876  0.194  -0.075  
174  174   8  0.919  0.478   1.842  
175  175  11  0.927  0.508   2.138  
176  176   5  0.938  0.150  -0.624  
177  177   8  0.962  0.253  -0.130  
178  178   5  0.956  0.198  -0.178  
179  179   8  0.934  0.270   0.019  
180  180   8  0.831  0.222  -0.401  
181  181   7  0.697  0.301   0.447  
182  182   5  0.363  0.259  -0.026  
183  183   4  0.668  0.145  -0.515  
184  184   6  0.773  0.208   0.047  
185  185   4  0.874  0.201  -0.013  
186  186   4  0.833  0.105  -0.874  
187  187   8  0.843  0.242  -0.226  
188  188  11  0.807  0.191  -0.641  
189  189   4  0.806  0.158  -0.399  
190  190   9  0.859  0.392   0.824  
191  191   5  0.862  0.246  -0.211  
192  192   5  0.602  0.269   0.438  
193  193   7  0.903  0.153  -0.642  
194  194   5  0.884  0.134  -0.773  
195  195  11  0.879  0.368   0.911  
196  196   7  0.928  0.224  -0.240  
197  197  11  0.951  0.272   0.069  
198  198   6  0.927  0.125  -0.824  
199  199   7  0.933  0.192  -0.526  
200  200  14  0.914  0.143  -0.984  
201  201   5  0.960  0.169  -0.447  
202  202   9  0.903  0.140  -1.020  
203  203   9  0.937  0.122  -1.178  
204  204  14  0.957  0.102  -1.393  
205  205   4  0.926  0.137  -0.587  
206  206  11  0.898  0.124  -1.228  
207  207   7  0.923  0.161  -0.803  
208  208   4  0.884  0.129  -0.659  
209  209   7  0.925  0.126  -1.115  
210  210   7  0.935  0.133  -1.053  
211  211   4  0.933  0.130  -0.650  
212  212   8  0.927  0.255  -0.112  
213  213   8  0.899  0.165  -0.901  
214  214   4  0.927  0.178  -0.219  
215  215   8  0.909  0.226  -0.366  
216  216  12  0.940  0.173  -0.711  
217  217   4  0.940  0.107  -0.856  
218  218   8  0.933  0.535   2.342  
219  219   8  0.928  0.312   0.387  
220  220   8  0.930  0.279   0.098  
221  221   5  0.891  0.284   0.622  
222  222   5  0.918  0.162  -0.874  
223  223   8  0.966  0.332   0.563  
224  224  11  0.926  0.246  -0.159  
225  225   5  0.955  0.289   0.669  
226  226   8  0.964  0.193  -0.656  
227  227   5  0.936  0.179  -0.354  
228  228   8  0.882  0.494   1.982  
229  229   5  0.961  0.471   2.362  
230  230   6  0.806  0.607   4.912  
231  231   7  0.860  0.708   4.881  
232  232  11  0.889  0.563   2.293  
233  233   8  0.912  0.501   2.044  
234  234   6  0.925  0.172  -0.331  
235  235   8  0.955  0.165  -0.532  
236  236   5  0.940  0.138  -1.064  
237  237   8  0.967  0.165  -0.901  
238  238  11  0.953  0.258  -0.053  
239  239   8  0.925  0.339   0.624  
240  240   6  0.930  0.183  -0.215  
241  241   4  0.973  0.088  -1.027  
242  242  11  0.942  0.138  -1.105  
243  243   5  0.942  0.461   2.269  
244  244   4  0.906  0.096  -0.955  
245  245   8  0.899  0.166  -0.633  
246  246   8  0.949  0.219  -0.428  
247  247   4  0.944  0.100  -0.919  
248  248  11  0.931  0.238  -0.229  
249  249   9  0.968  0.098  -1.383  
250  250   7  0.958  0.212  -0.347  
251  251   7  0.949  0.108  -1.276  
252  252   7  0.941  0.136  -1.026  
253  253   8  0.885  0.124  -0.954  
254  254   8  0.957  0.300   0.282  
255  255   4  0.944  0.056  -1.314  
256  256   7  0.919  0.215  -0.321  
257  257   5  0.910  0.246   0.269  
258  258   5  0.925  0.104  -1.436  
259  259   4  0.926  0.091  -1.000  
260  260   5  0.934  0.223  -0.249  
261  261   8  0.804  0.426   1.781  
262  262   7  0.842  0.175  -0.423  
263  263   7  0.917  0.153  -0.874  
264  264   7  0.867  0.195  -0.199  
265  265   4  0.880  0.199  -0.031  
266  266   8  0.856  0.231  -0.323  
267  267   7  0.957  0.178  -0.378  
268  268   8  0.955  0.186  -0.717  
269  269   7  0.943  0.176  -0.413  
270  270   8  0.928  0.230  -0.331  
271  271  11  0.917  0.240  -0.211  
272  272   6  0.940  0.128  -0.792  
273  273  12  0.926  0.185  -0.600  
274  274   4  0.923  0.145  -0.515  
275  275   4  0.938  0.130  -0.650  
276  276   6  0.949  0.185  -0.194  
277  277   6  0.950  0.157  -0.488  
278  278   8  0.912  0.233  -0.305  
279  279   8  0.957  0.202  -0.542  
280  280   5  0.954  0.220   0.027  
281  281   7  0.964  0.266   0.549  
282  282   8  0.920  0.233  -0.305  
283  283   5  0.965  0.157  -0.559  
284  284   4  0.922  0.177  -0.228  
285  285   8  0.934  0.271   0.028  
286  286   4  0.934  0.140  -0.560  
287  287   8  0.965  0.218  -0.436  
288  288   7  0.960  0.159  -0.821  
289  289   8  0.943  0.310   0.370  
290  290   8  0.935  0.186  -0.717  
291  291   7  0.973  0.185  -0.588  
292  292  10  0.935  0.145  -0.803  
293  293  11  0.901  0.166  -0.843  
294  294   8  0.853  0.190  -0.275  
295  295  11  0.853  0.544   2.143  
296  296  12  0.870  0.555   2.836  
297  297   5  0.899  0.348   1.014  
298  298   5  0.746  0.872   6.742  
299  299   1  0.809  0.121       ?  
300  300   1  0.854  0.233       ?  
301  301   1  0.778  0.486       ?  
302  302   1  0.791  0.351       ?  
303  303   1  0.673  0.492       ?  
304  304   1  0.314  0.313       ?  
305  305   1  0.636  0.616       ?  
306  306   1  0.629  0.409       ?  
307  307   1  0.107  0.215       ?  
#
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          2.35.1                                                                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  
##
