## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
79 |
27 |
19940 |
◊ |
A |
x,y,z |
1_555 |
84 |
26 |
19847 |
720.9 |
-12.7 |
0.016 |
6 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
64 |
20 |
19847 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
71 |
19 |
19940 |
537.7 |
-2.8 |
0.548 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
46 |
17 |
19847 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
48 |
17 |
19940 |
445.8 |
-2.4 |
0.495 |
0 |
0 |
0 |
0.037 |
4 |
4 |
|
[NAG]B:710 |
14 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
37 |
14 |
19940 |
236.8 |
5.2 |
0.519 |
2 |
0 |
0 |
0.000 |
5 |
|
[NAG]A:710 |
14 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
41 |
15 |
19847 |
235.5 |
5.0 |
0.512 |
3 |
0 |
0 |
0.000 |
Average: |
236.2 |
5.1 |
0.515 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[NAG]B:730 |
14 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
41 |
13 |
19940 |
233.9 |
5.2 |
0.513 |
3 |
0 |
0 |
0.000 |
7 |
|
[NAG]A:730 |
14 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
40 |
13 |
19847 |
232.6 |
5.1 |
0.529 |
2 |
0 |
0 |
0.000 |
Average: |
233.2 |
5.1 |
0.521 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[NAG]B:711 |
13 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
19940 |
182.5 |
4.0 |
0.393 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:711 |
12 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19847 |
182.0 |
3.4 |
0.313 |
1 |
0 |
0 |
0.000 |
Average: |
182.3 |
3.7 |
0.353 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[D2M]B:2100 |
21 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
19847 |
177.9 |
-2.9 |
0.223 |
0 |
0 |
0 |
0.045 |
8 |
11 |
|
[NAG]A:720 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
19847 |
168.6 |
3.6 |
0.341 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:720 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
24 |
10 |
19940 |
164.9 |
4.6 |
0.519 |
1 |
0 |
0 |
0.000 |
Average: |
166.7 |
4.1 |
0.430 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[NAG]A:740 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
19847 |
168.3 |
4.0 |
0.462 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]B:740 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
19940 |
166.3 |
3.9 |
0.457 |
1 |
0 |
0 |
0.000 |
Average: |
167.3 |
3.9 |
0.460 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[NAG]A:731 |
14 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
19847 |
163.6 |
3.4 |
0.300 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:731 |
14 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
19940 |
162.9 |
3.2 |
0.264 |
1 |
0 |
0 |
0.000 |
Average: |
163.3 |
3.3 |
0.282 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
23 |
8 |
19940 |
◊ |
A |
-x,y,-z+1 |
2_556 |
17 |
5 |
19847 |
163.3 |
0.5 |
0.758 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
[3DM]A:3900 |
11 |
1 |
319 |
◊ |
A |
x,y,z |
1_555 |
31 |
15 |
19847 |
144.2 |
4.5 |
0.329 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[NAG]B:2760 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
19940 |
135.4 |
4.6 |
0.535 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:760 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
19847 |
134.3 |
4.4 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
134.9 |
4.5 |
0.532 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
B |
13 |
5 |
19940 |
x |
B |
x,y-1,z |
1_545 |
11 |
6 |
19940 |
124.7 |
-0.7 |
0.461 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
14 |
6 |
19847 |
x |
A |
x,y-1,z |
1_545 |
13 |
6 |
19847 |
109.9 |
-0.8 |
0.439 |
1 |
0 |
0 |
0.000 |
Average: |
117.3 |
-0.8 |
0.450 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
[NAG]B:1750 |
12 |
1 |
367 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
19940 |
123.8 |
2.9 |
0.282 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[KIA]B:2910 |
11 |
1 |
333 |
cf |
B |
x,y,z |
1_555 |
20 |
9 |
19940 |
119.8 |
1.6 |
0.065 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[NAG]A:750 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
19847 |
115.9 |
3.4 |
0.400 |
3 |
0 |
0 |
0.000 |
18 |
26 |
|
[NAG]B:700 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
19940 |
112.0 |
3.0 |
0.377 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:700 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
19847 |
110.8 |
3.0 |
0.399 |
0 |
0 |
0 |
0.000 |
Average: |
111.4 |
3.0 |
0.388 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[NAG]A:721 |
10 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19847 |
106.1 |
1.7 |
0.238 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:721 |
9 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
19940 |
99.8 |
1.6 |
0.274 |
2 |
0 |
0 |
0.000 |
Average: |
102.9 |
1.7 |
0.256 |
2 |
0 |
0 |
0.000 |
20 |
30 |
|
[D2M]B:2100 |
13 |
1 |
503 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
19940 |
103.2 |
-0.5 |
0.150 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[NAG]B:1750 |
11 |
1 |
367 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
6 |
19847 |
102.3 |
1.9 |
0.167 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[KIA]B:2910 |
11 |
1 |
333 |
◊ |
[D2M]B:2100 |
x,y,z |
1_555 |
14 |
1 |
503 |
95.2 |
3.7 |
0.225 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[D2M]B:2100 |
13 |
1 |
503 |
◊ |
[3DM]A:3900 |
x,y,z |
1_555 |
9 |
1 |
319 |
93.8 |
0.9 |
0.165 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[NAG]A:700 |
10 |
1 |
362 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
19940 |
88.3 |
2.5 |
0.353 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
11 |
3 |
19847 |
◊ |
[NAG]B:700 |
x-1/2,y+1/2,z |
3_455 |
7 |
1 |
361 |
86.7 |
2.2 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
87.5 |
2.3 |
0.390 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[NAG]A:721 |
10 |
1 |
365 |
cf |
[NAG]A:720 |
x,y,z |
1_555 |
7 |
1 |
363 |
78.9 |
1.9 |
0.075 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]B:721 |
9 |
1 |
364 |
cf |
[NAG]B:720 |
x,y,z |
1_555 |
7 |
1 |
362 |
74.9 |
1.9 |
0.091 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:741 |
9 |
1 |
362 |
cf |
[NAG]A:740 |
x,y,z |
1_555 |
6 |
1 |
365 |
73.9 |
1.6 |
0.089 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]A:711 |
10 |
1 |
363 |
cf |
[NAG]A:710 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.0 |
1.6 |
0.085 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:711 |
10 |
1 |
361 |
cf |
[NAG]B:710 |
x,y,z |
1_555 |
7 |
1 |
364 |
69.6 |
1.7 |
0.085 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
1.7 |
0.085 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[SO4]A:3801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19847 |
78.5 |
-10.3 |
0.934 |
5 |
0 |
0 |
0.194 |
27 |
42 |
|
B |
14 |
7 |
19940 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
3 |
19847 |
77.2 |
-0.9 |
0.311 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[KIA]B:2910 |
12 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19847 |
74.7 |
0.9 |
0.026 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[NAG]B:741 |
10 |
1 |
360 |
cf |
[NAG]B:740 |
x,y,z |
1_555 |
7 |
1 |
363 |
72.8 |
1.7 |
0.084 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[NAG]A:761 |
9 |
1 |
362 |
cf |
[NAG]A:760 |
x,y,z |
1_555 |
6 |
1 |
362 |
72.7 |
1.4 |
0.093 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[NAG]A:731 |
10 |
1 |
362 |
cf |
[NAG]A:730 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.0 |
1.8 |
0.083 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]B:731 |
10 |
1 |
364 |
cf |
[NAG]B:730 |
x,y,z |
1_555 |
7 |
1 |
365 |
69.7 |
1.8 |
0.081 |
0 |
0 |
0 |
0.000 |
Average: |
69.9 |
1.8 |
0.082 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[MAN]B:714 |
6 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19940 |
69.5 |
2.5 |
0.492 |
2 |
0 |
0 |
0.000 |
33 |
49 |
|
[SO4]B:4802 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19940 |
69.3 |
-8.2 |
0.969 |
3 |
0 |
0 |
0.148 |
34 |
50 |
|
[NAG]B:741 |
7 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
19940 |
66.1 |
-0.1 |
0.118 |
1 |
0 |
0 |
0.020 |
51 |
|
[NAG]A:741 |
8 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
19847 |
65.3 |
-0.3 |
0.089 |
1 |
0 |
0 |
0.020 |
Average: |
65.7 |
-0.2 |
0.103 |
1 |
0 |
0 |
0.020 |
35 |
52 |
|
[SO4]A:3800 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19847 |
65.8 |
-7.8 |
0.967 |
3 |
0 |
0 |
0.142 |
36 |
53 |
|
[MAN]A:712 |
6 |
1 |
290 |
cf |
[NAG]A:711 |
x,y,z |
1_555 |
5 |
1 |
363 |
60.4 |
1.0 |
0.112 |
1 |
0 |
0 |
0.000 |
37 |
54 |
|
[MAN]A:732 |
7 |
1 |
295 |
cf |
[NAG]A:731 |
x,y,z |
1_555 |
5 |
1 |
362 |
59.8 |
1.2 |
0.113 |
0 |
0 |
0 |
0.000 |
55 |
|
[MAN]B:732 |
7 |
1 |
290 |
cf |
[NAG]B:731 |
x,y,z |
1_555 |
6 |
1 |
364 |
59.2 |
1.0 |
0.095 |
0 |
0 |
0 |
0.000 |
Average: |
59.5 |
1.1 |
0.104 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[MAN]B:712 |
6 |
1 |
292 |
cf |
[NAG]B:711 |
x,y,z |
1_555 |
5 |
1 |
361 |
59.5 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
[CL]A:610 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
19847 |
56.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.332 |
58 |
|
[CL]B:610 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
19940 |
56.7 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.332 |
Average: |
56.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.332 |
40 |
59 |
|
[SO4]A:3801 |
5 |
1 |
185 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
4 |
19940 |
56.7 |
-6.7 |
0.950 |
3 |
0 |
0 |
0.124 |
41 |
60 |
|
[MAN]A:714 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
19847 |
55.2 |
0.8 |
0.315 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[MAN]A:714 |
6 |
1 |
293 |
cf |
[MAN]A:712 |
x,y,z |
1_555 |
5 |
1 |
290 |
53.6 |
2.4 |
0.238 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
[MAN]B:712 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
19940 |
53.4 |
1.5 |
0.356 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[MAN]B:714 |
5 |
1 |
291 |
cf |
[MAN]B:712 |
x,y,z |
1_555 |
4 |
1 |
292 |
50.4 |
2.3 |
0.325 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
A |
5 |
3 |
19847 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
9 |
3 |
19847 |
48.9 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[NAG]A:750 |
4 |
1 |
362 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
19940 |
45.5 |
0.4 |
0.306 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[CU]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
19847 |
40.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.278 |
67 |
|
[CU]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
19940 |
39.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.278 |
Average: |
40.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.278 |
48 |
68 |
|
[CU]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
19940 |
40.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.279 |
69 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
19847 |
40.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.279 |
Average: |
40.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.279 |
49 |
70 |
|
[SO4]A:3800 |
3 |
1 |
186 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
19940 |
35.1 |
-3.3 |
0.987 |
2 |
0 |
0 |
0.065 |
50 |
71 |
|
[CU]A:604 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
19847 |
34.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.242 |
72 |
|
[CU]B:604 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
19940 |
34.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
34.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.242 |
51 |
73 |
|
[KIA]B:2910 |
6 |
1 |
333 |
f |
[3DM]A:3900 |
x,y,z |
1_555 |
3 |
1 |
319 |
32.3 |
1.7 |
0.078 |
0 |
0 |
0 |
0.000 |
52 |
74 |
|
[OXY]B:1620 |
2 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
19940 |
31.7 |
-0.3 |
0.318 |
2 |
0 |
0 |
0.019 |
53 |
75 |
|
[OXY]A:1620 |
2 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
19847 |
31.2 |
-0.3 |
0.178 |
2 |
0 |
0 |
0.019 |
54 |
76 |
|
A |
3 |
1 |
19847 |
◊ |
[SO4]B:4802 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
184 |
30.6 |
-2.9 |
0.983 |
1 |
0 |
0 |
0.052 |
55 |
77 |
|
[MAN]A:712 |
2 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
19847 |
25.1 |
0.7 |
0.532 |
0 |
0 |
0 |
0.000 |
56 |
78 |
|
[CL]A:610 |
1 |
1 |
125 |
f |
[CU]A:604 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
57 |
79 |
|
[CL]B:610 |
1 |
1 |
125 |
f |
[CU]B:604 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
58 |
80 |
|
[OXY]B:1620 |
2 |
1 |
118 |
f |
[CU]B:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.033 |
59 |
81 |
|
[OXY]A:1620 |
2 |
1 |
117 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
60 |
82 |
|
[OXY]A:1620 |
2 |
1 |
117 |
f |
[CU]A:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
61 |
83 |
|
[OXY]B:1620 |
2 |
1 |
118 |
f |
[CU]B:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.031 |
62 |
84 |
|
[MAN]A:714 |
2 |
1 |
293 |
f |
[NAG]A:711 |
x,y,z |
1_555 |
2 |
1 |
363 |
20.2 |
0.9 |
0.275 |
0 |
0 |
0 |
0.000 |
63 |
85 |
|
[MAN]B:714 |
4 |
1 |
291 |
f |
[NAG]B:711 |
x,y,z |
1_555 |
1 |
1 |
361 |
19.2 |
0.8 |
0.256 |
0 |
0 |
0 |
0.000 |
64 |
86 |
|
[OXY]B:1620 |
1 |
1 |
118 |
f |
[CU]B:604 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.020 |
65 |
87 |
|
[OXY]A:1620 |
2 |
1 |
117 |
f |
[CU]A:604 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.020 |
66 |
88 |
|
[MAN]A:732 |
3 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
19847 |
14.9 |
0.7 |
0.492 |
0 |
0 |
0 |
0.000 |
67 |
89 |
|
[3DM]A:3900 |
2 |
1 |
319 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19940 |
14.6 |
0.4 |
0.301 |
0 |
0 |
0 |
0.000 |
68 |
90 |
|
[CU]A:604 |
1 |
1 |
125 |
f |
[CU]A:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.041 |
69 |
91 |
|
[CU]B:604 |
1 |
1 |
125 |
f |
[CU]B:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.041 |
70 |
92 |
|
[CU]B:604 |
1 |
1 |
125 |
f |
[CU]B:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.040 |
71 |
93 |
|
[MAN]B:732 |
4 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19940 |
12.6 |
0.6 |
0.356 |
0 |
0 |
0 |
0.000 |
72 |
94 |
|
[CU]A:604 |
1 |
1 |
125 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.039 |
73 |
95 |
|
[CU]B:603 |
1 |
1 |
125 |
f |
[CU]B:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
74 |
96 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
75 |
97 |
|
[NAG]A:741 |
1 |
1 |
362 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
19940 |
4.1 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
76 |
98 |
|
[OXY]B:1620 |
1 |
1 |
118 |
f |
[CL]B:610 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
77 |
99 |
|
[OXY]A:1620 |
1 |
1 |
117 |
f |
[CL]A:610 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|