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
|
; HyperChem file created by BALL
;
forcefield AMBER
sys 0
mol 1
res 1 ALA 1 - -
atom 1 N N ** - 0 0 1.335 0 4 2 s 3 s 11 s 12 s
atom 2 1H H ** - 0 0.952 1.672 0 1 1 s
atom 3 CA C ** - 0 -0.683 1.818 -1.183 4 1 s 4 s 5 s 7 s
atom 4 HA H ** - 0 -0.135 1.43 -2.042 1 3 s
atom 5 C C ** - 0 -0.705 3.339 -1.221 3 3 s 196 s 6 a
atom 6 O O ** - 0 -0.184 3.993 -0.319 1 5 a
atom 7 CB C ** - 0 -2.127 1.33 -1.221 4 3 s 8 s 9 s 10 s
atom 8 1HB H ** - 0 -2.615 1.708 -2.119 1 7 s
atom 9 2HB H ** - 0 -2.143 0.24 -1.23 1 7 s
atom 10 3HB H ** - 0 -2.657 1.694 -0.34 1 7 s
atom 11 2H H ** - 0 -0.476 1.672 0.825 1 1 s
atom 12 3H H ** - 0 0 0.325 0 1 1 s
endres 1
res 13 PHE 13 - -
atom 196 N N ** - 0 -13.855 35.129 -23.998 3 4 s 198 s 197 s
atom 197 H H ** - 0 -13.481 35.807 -23.35 1 196 s
atom 198 CA C ** - 0 -14.541 35.595 -25.186 4 196 s 199 s 200 s 202 s
atom 199 HA H ** - 0 -13.99 35.202 -26.041 1 198 s
atom 200 C C ** - 0 -14.572 37.116 -25.24 2 198 s 201 a
atom 201 O O ** - 0 -14.055 37.782 -24.345 1 200 a
atom 202 CB C ** - 0 -15.982 35.098 -25.218 4 198 s 205 s 203 s 204 s
atom 203 1HB H ** - 0 -15.993 34.011 -25.15 1 202 s
atom 204 2HB H ** - 0 -16.471 35.559 -24.36 1 202 s
atom 205 CG C ** - 0 -16.781 35.535 -26.424 3 202 s 206 a 208 a
atom 206 CD1 C ** - 0 -18.116 35.138 -26.559 3 205 a 210 a 207 s
atom 207 HD1 H ** - 0 -18.58 34.514 -25.795 1 206 s
atom 208 CD2 C ** - 0 -16.185 36.336 -27.405 3 205 a 212 a 209 s
atom 209 HD2 H ** - 0 -15.146 36.645 -27.299 1 208 s
atom 210 CE1 C ** - 0 -18.857 35.542 -27.677 3 206 a 214 a 211 s
atom 211 HE1 H ** - 0 -19.897 35.233 -27.782 1 210 s
atom 212 CE2 C ** - 0 -16.926 36.74 -28.522 3 208 a 214 a 213 s
atom 213 HE2 H ** - 0 -16.462 37.364 -29.287 1 212 s
atom 214 CZ C ** - 0 -18.261 36.343 -28.658 3 210 a 212 a 215 s
atom 215 HZ H ** - 0 -18.838 36.658 -29.528 1 214 s
endres 13
endmol 1
|
