TEST.TEP 40.76 18.48 22.34 90.00 90.60 90.00 1 1 1 0 0 0 0 1 0 0 0 0 1 0 29N 0.0 0.0 1.6735 13.0702 6.4656 1 2 1 TYR , 0.00032 0.00249 0.00167 0.00002 0.00007 0.00075 0 29H 0.0 0.0 2.1236 13.1638 5.6814 1 5 2 TYR , 0.00073 0.00311 0.00141 -0.00041 0.00042 -0.00027 0 29CA 0.0 0.0 0.7581 11.9759 6.6519 1 1 3 TYR , 0.00047 0.00246 0.00129 0.00019 -0.00006 -0.00001 0 29HA 0.0 0.0 -0.1534 12.2967 6.7940 1 5 4 TYR , 0.00035 0.00173 0.00151 0.00005 0.00010 0.00035 0 29CB 0.0 0.0 0.6467 11.2016 5.2837 1 1 5 TYR , 0.00077 0.00251 0.00199 -0.00015 0.00006 0.00031 0 29HB1 0.0 0.0 0.4483 11.8943 4.6130 1 5 6 TYR , 0.00065 0.00307 0.00203 0.00018 0.00007 0.00055 0 29HB2 0.0 0.0 1.5355 10.8252 5.1022 1 5 7 TYR , 0.00074 0.00361 0.00207 0.00011 0.00011 0.00066 0 29CG 0.0 0.0 -0.4201 10.1641 5.3318 1 1 8 TYR , 0.00119 0.00586 0.00236 -0.00030 -0.00027 0.00057 0 29CD1 0.0 0.0 -1.7111 10.4835 5.7388 1 1 9 TYR , 0.00079 0.00844 0.00479 -0.00057 0.00023 0.00049 0 29HD1 0.0 0.0 -1.9455 11.4411 5.9318 1 5 10 TYR , 0.00100 0.00753 0.00140 -0.00025 -0.00030 0.00080 0 29CE1 0.0 0.0 -2.7199 9.5360 5.7780 1 1 11 TYR , 0.00138 0.00665 0.00529 -0.00003 0.00012 -0.00020 0 29HE1 0.0 0.0 -3.6458 9.8012 5.9947 1 5 12 TYR , 0.00128 0.00699 0.00450 0.00012 0.00007 0.00003 0 29CZ 0.0 0.0 -2.4070 8.2459 5.4142 1 1 13 TYR , 0.00138 0.00670 0.00655 -0.00027 0.00026 -0.00039 0 29CE2 0.0 0.0 -1.1509 7.8525 5.0766 1 1 14 TYR , 0.00119 0.00820 0.00689 -0.00035 0.00034 -0.00022 0 29HE2 0.0 0.0 -0.9329 6.9200 4.8689 1 5 15 TYR , 0.00140 0.00732 0.00250 0.00000 -0.00025 0.00057 0 29CD2 0.0 0.0 -0.1225 8.8446 5.0487 1 1 16 TYR , 0.00178 0.00849 0.00797 -0.00007 0.00032 -0.00049 0 29HD2 0.0 0.0 0.7861 8.5637 4.8022 1 5 17 TYR , 0.00133 0.00541 0.00126 -0.00011 -0.00042 0.00063 0 29OH 0.0 0.0 -3.3930 7.2519 5.4267 1 3 18 TYR , 0.00196 0.00930 0.01969 -0.00085 0.00173 -0.00332 0 29C 0.0 0.0 1.1351 11.0471 7.8253 1 1 19 TYR , 0.00031 0.00266 0.00171 -0.00007 0.00005 0.00034 0 29O 0.0 0.0 0.2928 10.4877 8.4721 1 3 20 TYR , 0.00041 0.00467 0.00257 -0.00019 0.00013 0.00181 0 163DUMM 0.0 0.0 18.7996 10.5122 0.0493 1 99 20 WAT 1 0.00318 0.04717 0.00533 0.00000 0.00003 0.00000 0 3 301 5 8 10 1.2 *** SET GRAPH SIZE, VIEW DISTANCE, MARGIN *** 3 303 0.0 *** SET RETRACING FEATURE *** 3 501 15551 15551 16551 15551 15561 ,, 1 *** SET PROJECTION ALONG Y-AXIS *** 3 502 1 90.00 2 90.00 3 0.00 *** ROTATION 0 0 0 DEGS ABOUT X Y Z AXES *** 3 503 2 3.0 *** 3 201 *** INITIALIZE THE PLOTTER *** 3 1101 ***** SAVE 3 410 *** CLEAR THE ATOMS ARRAY *** 3 401 15551 -205551 *** GET ALL ATOMS *** 3 604 ,,,, 1.0026 *** AUTO SCALE AND POSTS TO 20% PROB ELLIPSOIDS *** 2 511 0.02 2 1 0 2 0 3 1.2 1.7 0.03 2 1 0 3 0 3 1.2 1.7 0.03 2 3 0 3 0 1 2.4 3.1 0.01 2 5 0 1 0 1 0.8 1.2 0.01 2 5 0 2 0 1 0.8 1.2 0.01 2 5 0 3 0 1 0.8 1.2 0.01 3 1 0 1 0 3 1.20 1.70 0.03 *** VECTOR SEARCH CODE FOR DRAWING BONDS, PREPARE TO REMOVE OVERLAP *** C HYDROGEN BONDS BETWEEN N AND O HAVE BEEN REMOVED DUE C TO MAKING EXTRA BONDS BETWEEN BACKBONE N AND O 3 999 1 *** BLACK PEN FOR DRAWING C ATOMS *** 1 715 4 0 1 0 0.00 0.00 0.00 ,,,, 1 0 00000000 3 999 3 *** GREEN PEN FOR DRAWING N ATOMS *** 1 715 4 0 1 0 0.00 0.00 0.00 ,,,, 2 0 00000000 3 999 2 *** RED PEN FOR DRAWING O ATOMS *** 1 715 4 0 1 0 0.00 0.00 0.00 ,,,, 3 0 00000000 3 999 3 *** ??? PEN FOR DRAWING H F L Q D ATOMS *** 1 715 4 0 1 0 0.00 0.00 0.00 ,,,, 5 0 00000000 3 999 7 *** YELLOW PEN OVERWRITES HYDROGENS AND THE LIKES *** 1 715 4 0 1 0 0.00 0.00 0.00 ,,,, 5 0 00000000 3 999 1 *** BLACK PEN FOR DRAWING BONDS *** 2 812 0.02 2 1 0 2 0 3 1.2 1.7 0.03 2 1 0 3 0 3 1.2 1.7 0.03 2 3 0 3 0 1 2.4 3.1 0.01 2 5 0 1 0 1 0.8 1.2 0.01 2 5 0 2 0 1 0.8 1.2 0.01 2 5 0 3 0 1 0.8 1.2 0.01 3 1 0 1 0 3 1.20 1.70 0.03 *** VECTOR SEARCH CODE, DRAWING BAONDS *** C HYDROGEN BONDS BETWEEN N AND O HAVE BEEN REMOVED DUE C TO MAKING EXTRA BONDS BETWEEN BACKBONE N AND O 0 1102 0 202 5 0 503 2 -3.0 0 1103 , -1