1L2Y SEED=-3059743 PDBREF MD nstep=1000000 ntwe=100 ntwx=10000 dt=0.01 damax=10000.0 lang=1 scal_fric=0.01 & t_bath=300 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 & WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 & WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 & CUTOFF=7.00000 WCORR4=0.00000 1L2Y.pdb 22 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO SER D 0 0 104.9286 87.6954 81.9040 82.4664 84.4658 83.9446 85.3958 91.4490 94.6016 101.8618 119.3634 94.3628 96.2641 138.1186 96.2995 129.7022 109.4446 106.3486 106.0416 108.7182 -100.4302 72.4264 66.0265 51.4337 53.5083 60.5686 44.1766 67.6037 -72.8136 -61.9155 -75.8939 67.3579 129.7011 -95.5708 63.9717 -74.5043 -122.3059 -134.6048 92.1133 102.3561 120.0919 152.3636 134.9756 122.3426 152.1780 159.0518 100.5580 139.9612 0.0000 0.0000 117.4525 137.0250 146.2899 0.0000 93.9014 101.0251 113.0432 93.7775 153.8351 -82.3166 -56.6854 85.0901 -88.6662 -140.9453 38.0240 179.4707 -73.0903 -144.7967 0.0000 0.0000 -133.1635 -106.6593 -130.3055 0.0000 -102.7467 -111.6412 -122.0445 -102.3738 -143.3033