class SEM residue SME group atom N clas=NH1 charge=-0.350 coor 0.000 0.000 0.000 atom CA clas=CH1E charge=0.100 coor 0.725 0.502 -1.417 atom H clas=H charge=0.250 coor 0.501 -0.573 0.410 atom C clas=C charge=0.550 coor 1.639 1.599 -1.574 atom O clas=O charge=-0.550 coor 1.886 2.264 -2.652 atom CB clas=CH2E charge=0.000 coor -0.246 0.256 -2.773 atom CG clas=CH2E charge=0.060 coor -0.913 -0.681 -2.663 atom SED clas=SEM charge=-0.120 coor 0.074 -2.208 -3.088 atom CE clas=CH3E charge=0.060 coor -1.430 -3.583 -3.081 bond N -C bond CA N bond H N bond C CA bond O C bond CB CA bond CG CB bond SED CG bond CE SED dihe N CA CB CG dihe CA CB CG SED dihe CB CG SED CE dihe -C N CA C dihe -N -CA -C N dihe -CA -C N CA impr CA N C CB impr -C -CA N -O impr N -C CA H inte N -C 1.419 -CA 102.973 -N 175.230 inte CA N 1.669 -C 108.081 -CA -177.984 inte H N 0.865 -C 136.645 -CA -25.993 inte C CA 1.437 N 126.770 -C 71.497 inte O C 1.290 CA 127.342 N -156.600 inte CB CA 1.685 N 112.885 -C -76.090 inte CG CB 1.156 CA 111.999 N -32.471 inte SED CG 1.867 CB 109.675 CA -81.548 inte CE SED 2.038 CG 99.255 CB -171.637 end residue MSE group atom N clas=NH1 charge=-0.350 coor 0.000 0.000 0.000 atom CA clas=CH1E charge=0.100 coor 0.725 0.502 -1.417 atom H clas=H charge=0.250 coor 0.501 -0.573 0.410 atom C clas=C charge=0.550 coor 1.639 1.599 -1.574 atom O clas=O charge=-0.550 coor 1.886 2.264 -2.652 atom CB clas=CH2E charge=0.000 coor -0.246 0.256 -2.773 atom CG clas=CH2E charge=0.060 coor -0.913 -0.681 -2.663 atom SE clas=SEM charge=-0.120 coor 0.074 -2.208 -3.088 atom CE clas=CH3E charge=0.060 coor -1.430 -3.583 -3.081 bond N -C bond CA N bond H N bond C CA bond O C bond CB CA bond CG CB bond SE CG bond CE SE dihe N CA CB CG dihe CA CB CG SE dihe CB CG SE CE dihe -C N CA C dihe -N -CA -C N dihe -CA -C N CA impr CA N C CB impr -C -CA N -O impr N -C CA H inte N -C 1.419 -CA 102.973 -N 175.230 inte CA N 1.669 -C 108.081 -CA -177.984 inte H N 0.865 -C 136.645 -CA -25.993 inte C CA 1.437 N 126.770 -C 71.497 inte O C 1.290 CA 127.342 N -156.600 inte CB CA 1.685 N 112.885 -C -76.090 inte CG CB 1.156 CA 111.999 N -32.471 inte SE CG 1.867 CB 109.675 CA -81.548 inte CE SE 2.038 CG 99.255 CB -171.637 end