File size: 9,223 Bytes
4742cab
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
8V2
  ModelServer 0.9.11

 91 97  0  0  1  0  0  0  0  0  0
   -2.1940  -12.9610   26.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8100   -9.4260   21.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1270   -5.8030   26.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9880   -0.1610   25.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5120   -1.3900   25.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7190   -1.1730   29.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7170   -6.2870   23.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3950  -12.4570   26.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4630   -5.7030   26.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3280   -3.1330   28.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6630   -2.4060   27.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9210   -2.1690   26.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0780   -1.4870   26.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3390   -2.0460   26.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1760    0.5220   25.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4120   -0.0670   25.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350  -11.9920   24.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4890   -7.0560   25.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0930   -8.6240   24.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -7.0580   22.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420   -4.2060   27.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080   -9.5890   24.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2860   -4.2920   29.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2240   -4.9870   28.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9000   -4.2090   29.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9310   -6.0190   30.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6910  -13.0290   23.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4970   -4.9760   29.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4870   -5.4460   27.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5960   -0.6690   29.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3020    0.6340   30.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7140   -6.3850   29.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1170   -5.0850   28.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1950  -12.8950   23.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3160  -11.3490   23.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1650  -10.7450   22.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4700   -8.3770   22.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260  -14.3380   26.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   -5.2940   26.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660  -10.8780   24.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1320   -7.3040   24.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1660   -5.4790   27.6010 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5890   -1.1050   28.6090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3500   -4.3230   28.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680  -12.2620   26.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2700   -2.7530   27.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8340   -7.9950   26.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200   -9.2290   25.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5690   -3.6750   26.6640 CL  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8050   -9.1860   20.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0240    0.3430   25.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4800   -1.8820   25.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2340   -5.3290   23.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350   -6.1450   23.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8730   -5.0030   25.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4760   -3.0100   28.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0840   -1.6100   25.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9710   -3.1390   25.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1100    1.5470   24.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3080    0.5000   25.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950  -11.6950   24.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1150   -8.9750   23.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1850   -7.1780   22.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7490   -6.5980   21.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7440   -3.3520   27.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360   -3.8870   28.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7600   -3.6350   30.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7660   -5.8510   29.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3300   -3.5360   30.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4620   -6.9010   30.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5090   -5.5750   31.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250  -12.6930   22.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040  -14.0260   23.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9230   -5.5090   28.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2520   -4.3190   29.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5790    1.2270   29.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8930    0.3960   31.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2250    1.2020   30.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0110   -7.0140   30.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0890   -6.9500   28.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7010  -13.4820   22.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750  -13.1570   24.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3170  -11.0600   23.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170  -11.3840   21.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930   -8.2400   22.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630  -14.7140   27.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520  -14.9190   26.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610  -14.4280   27.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -5.0410   25.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980   -6.1200   27.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7140   -0.6210   28.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 38  1  0  0  0  0
  2 36  2  0  0  0  0
  2 37  1  0  0  0  0
  2 50  1  0  0  0  0
  3 29  2  0  0  0  0
  4 15  1  0  0  0  0
  4 13  2  0  0  0  0
  4 51  1  0  0  0  0
  5 16  1  0  0  0  0
  5 14  2  0  0  0  0
  5 52  1  0  0  0  0
  6 30  2  0  0  0  0
  7 20  1  0  0  0  0
  7 41  1  0  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  8 17  1  0  0  0  0
  8 45  2  0  0  0  0
  9 18  1  0  0  0  0
  9 39  1  0  0  0  0
  9 42  1  0  0  0  0
  9 55  1  0  0  0  0
 10 46  2  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 56  1  0  0  0  0
 12 13  1  0  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
 13 14  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  2  0  0  0  0
 15 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 27  1  0  0  0  0
 17 40  1  0  0  0  0
 17 61  1  0  0  0  0
 18 41  1  0  0  0  0
 18 47  2  0  0  0  0
 19 37  1  0  0  0  0
 19 41  1  0  0  0  0
 19 22  1  0  0  0  0
 19 62  1  0  0  0  0
 20 37  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 40  1  0  0  0  0
 22 48  2  0  0  0  0
 23 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 67  1  0  0  0  0
 24 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 34  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 44  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 42  1  0  0  0  0
 29 33  1  0  0  0  0
 30 43  1  0  0  0  0
 30 31  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
 31 78  1  0  0  0  0
 32 33  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 44  1  0  0  0  0
 34 35  1  0  0  0  0
 34 81  1  0  0  0  0
 34 82  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 35 83  1  0  0  0  0
 36 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 38 88  1  0  0  0  0
 39 89  1  0  0  0  0
 39 90  1  0  0  0  0
 43 91  1  0  0  0  0
M  END
> <model_server_result.job_id>
7nYBEFm_cwFEDILJPHMr2A

> <model_server_result.datetime_utc>
2024-06-19 19:52:24

> <model_server_result.server_version>
0.9.11

> <model_server_result.query_name>
ligand

> <model_server_result.source_id>
pdb-bcif

> <model_server_result.entry_id>
5ndu

> <model_server_params.name>
atom_site

> <model_server_params.value>
{"label_asym_id":"C","auth_seq_id":201}

> <model_server_stats.io_time_ms>
3

> <model_server_stats.parse_time_ms>
185

> <model_server_stats.create_model_time_ms>
8

> <model_server_stats.query_time_ms>
252

> <model_server_stats.encode_time_ms>
0

> <model_server_stats.element_count>
91

$$$$