0 0 2 This is a remark line WF1.res WF1 INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.523 111.21 .0 .00000 4 N LX M 3 2 1 1.540 111.208 -180.000 -0.390529 5 H LY E 4 3 2 1.013 30.797 -32.158 0.237525 6 CA LZ M 4 3 2 1.445 108.306 87.536 0.020581 7 CB M5 3 6 4 3 1.534 114.242 -74.322 -0.109795 8 CG M8 S 7 6 4 1.499 114.886 61.501 -0.073155 9 CD1 M9 B 8 7 6 1.361 125.852 -98.615 -0.169394 10 NE1 MB B 9 8 7 1.378 110.314 176.764 -0.380395 11 CE2 MF S 10 9 8 1.376 108.810 1.152 0.142154 12 CD2 MQ S 11 10 9 1.404 107.570 0.000 0.066108 13 CE3 MO B 12 11 10 1.400 119.032 -179.963 -0.132328 14 CZ3 ML B 13 12 11 1.379 118.993 0.861 -0.192493 15 CH2 MJ B 14 13 12 1.405 121.011 0.740 -0.158396 16 CZ2 MH S 15 14 13 1.376 121.224 -0.960 -0.228310 17 HZ2 MI E 16 15 14 1.082 121.159 178.104 0.150483 18 HH2 MK E 15 14 13 1.083 119.188 178.145 0.147986 19 HZ3 MM E 14 13 12 1.083 119.568 179.427 0.145399 20 HE3 MP E 13 12 11 1.082 120.294 178.048 0.130149 21 HE1 ME E 10 9 8 1.001 125.167 172.037 0.355018 22 HD1 MA E 9 8 7 1.078 128.923 -5.019 0.184357 23 HB2 M6 E 7 6 4 1.091 107.101 -175.581 0.070297 24 HB3 M7 E 7 6 4 1.092 107.436 -61.026 0.070297 25 HA M3 E 6 4 3 1.090 109.972 161.603 0.071499 26 C MR M 6 4 3 1.580 109.703 49.710 0.574674 27 O MS E 26 6 4 1.242 119.826 150.923 -0.531731 LOOP CD2 CG CZ2 CE2 IMPROPER -M CA N H CB CD2 CG CD1 CG HD1 CD1 NE1 CE2 CD1 NE1 HE1 CD2 CZ2 CE2 NE1 CE2 CE3 CD2 CG CD2 CZ3 CE3 HE3 CE3 CH2 CZ3 HZ3 CZ3 CZ2 CH2 HH2 CE2 CH2 CZ2 HZ2 +M CA C O DONE STOP