2 SEED=-3059743 PDBREF MD
3 nstep=1000000 ntwe=100 ntwx=10000 dt=0.10 damax=10000.0 lang=0 tbf NOSEHOOVER96&
5 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
6 WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
7 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
8 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 &
9 CUTOFF=7.00000 WCORR4=0.00000
12 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
16 104.9286 87.6954 81.9040 82.4664 84.4658 83.9446 85.3958 91.4490
17 94.6016 101.8618 119.3634 94.3628 96.2641 138.1186 96.2995 129.7022
18 109.4446 106.3486 106.0416 108.7182
19 -100.4302 72.4264 66.0265 51.4337 53.5083 60.5686 44.1766 67.6037
20 -72.8136 -61.9155 -75.8939 67.3579 129.7011 -95.5708 63.9717 -74.5043
21 -122.3059 -134.6048 92.1133
22 102.3561 120.0919 152.3636 134.9756 122.3426 152.1780 159.0518 100.5580
23 139.9612 0.0000 0.0000 117.4525 137.0250 146.2899 0.0000 93.9014
24 101.0251 113.0432 93.7775 153.8351
25 -82.3166 -56.6854 85.0901 -88.6662 -140.9453 38.0240 179.4707 -73.0903
26 -144.7967 0.0000 0.0000 -133.1635 -106.6593 -130.3055 0.0000 -102.7467
27 -111.6412 -122.0445 -102.3738 -143.3033