REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE" RESIDUE VX6 17 72 1 72 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 2 1 10 11 14 4 PHI1 0 0 0.0000 2 1 15 19 0 5 PHI2 0 0 0.0000 1 15 19 23 0 6 PHI3 0 0 0.0000 15 19 23 24 0 7 PHI4 0 0 0.0000 19 23 24 43 0 8 CHI4 0 0 0.0000 25 26 28 29 41 9 CHI5 0 0 0.0000 26 28 29 30 40 10 CHI6 0 0 0.0000 30 31 32 33 36 11 PHI5 0 0 0.0000 27 44 45 46 0 12 PHI6 0 0 0.0000 44 45 46 51 0 13 PHI7 0 0 0.0000 48 55 59 61 0 14 PHI8 0 0 0.0000 55 59 61 63 0 15 PHI9 0 0 0.0000 59 61 63 69 0 16 CHI7 0 0 0.0000 61 63 64 65 67 17 PHI10 0 0 0.0000 61 63 69 71 0 1 N1 N_AMI 0 0.0000 6.5260 1.5940 -0.9250 2 10 15 0 0 2 C6 C_ALI 0 0.0000 6.0170 2.2550 0.2830 1 3 7 8 0 3 C5 C_ALI 0 0.0000 4.4970 2.1050 0.3490 2 4 5 23 0 4 H51 H_ALI 0 0.0000 4.1170 2.6420 1.2180 3 0 0 0 6 5 H52 H_ALI 0 0.0000 4.0520 2.5190 -0.5560 3 0 0 0 6 6 Q1 PSEUD 0 0.0000 4.0845 2.5805 0.3310 0 0 0 0 0 7 H61 H_ALI 0 0.0000 6.4660 1.7960 1.1640 2 0 0 0 9 8 H62 H_ALI 0 0.0000 6.2770 3.3130 0.2540 2 0 0 0 9 9 Q2 PSEUD 0 0.0000 6.3715 2.5545 0.7090 0 0 0 0 0 10 C7 C_ALI 0 0.0000 7.9920 1.6720 -0.8640 1 11 12 13 0 11 H71 H_ALI 0 0.0000 8.3450 1.1650 0.0340 10 0 0 0 14 12 H72 H_ALI 0 0.0000 8.4190 1.1920 -1.7440 10 0 0 0 14 13 H73 H_ALI 0 0.0000 8.2990 2.7180 -0.8350 10 0 0 0 14 14 Q3 PSEUD 0 0.0000 8.3543 1.6917 -0.8483 0 0 0 0 0 15 C2 C_ALI 0 0.0000 6.1750 0.1730 -0.8140 1 16 17 19 0 16 H21 H_ALI 0 0.0000 6.5550 -0.3640 -1.6830 15 0 0 0 18 17 H22 H_ALI 0 0.0000 6.6200 -0.2410 0.0910 15 0 0 0 18 18 Q4 PSEUD 0 0.0000 6.5875 -0.3025 -0.7960 0 0 0 0 0 19 C3 C_ALI 0 0.0000 4.6540 0.0230 -0.7480 15 20 21 23 0 20 H31 H_ALI 0 0.0000 4.3950 -1.0350 -0.7190 19 0 0 0 22 21 H32 H_ALI 0 0.0000 4.2060 0.4820 -1.6290 19 0 0 0 22 22 Q5 PSEUD 0 0.0000 4.3005 -0.2765 -1.1740 0 0 0 0 0 23 N4 N_AMI 0 0.0000 4.1450 0.6840 0.4600 3 19 24 0 0 24 C8 C_ARO 0 0.0000 2.7620 0.6100 0.4020 23 25 43 0 0 25 C9 C_ARO 0 0.0000 2.1180 -0.6210 0.4830 24 26 42 0 0 26 C10 C_ARO 0 0.0000 0.7280 -0.6470 0.4200 25 27 28 0 0 27 N11 N_AMO 0 0.0000 0.0640 0.4990 0.2860 26 44 0 0 0 28 N14 N_AMO 0 0.0000 0.0430 -1.8510 0.4970 26 29 41 0 0 29 C15 C_ARO 0 0.0000 0.7400 -3.0550 0.4230 28 30 38 0 0 30 C17 C_ARO 0 0.0000 1.9280 -3.2600 -0.2100 29 31 37 0 0 31 C18 C_ARO 0 0.0000 2.2770 -4.6030 -0.0410 30 32 39 0 0 32 C21 C_ALI 0 0.0000 3.5210 -5.2640 -0.5770 31 33 34 35 0 33 H211 H_ALI 0 0.0000 3.3220 -5.6580 -1.5740 32 0 0 0 36 34 H212 H_ALI 0 0.0000 4.3270 -4.5320 -0.6300 32 0 0 0 36 35 H213 H_ALI 0 0.0000 3.8130 -6.0790 0.0850 32 0 0 0 36 36 Q6 PSEUD 0 0.0000 3.8207 -5.4230 -0.7063 0 0 0 0 0 37 H17 H_ALI 0 0.0000 2.5020 -2.5160 -0.7430 30 0 0 0 0 38 N20 N_AMO 0 0.0000 0.3560 -4.2400 0.9640 29 39 40 0 0 39 N19 N_AMO 0 0.0000 1.3390 -5.1900 0.6570 31 38 0 0 0 40 H20 H_AMI 0 0.0000 -0.4540 -4.4000 1.4720 38 0 0 0 0 41 H14 H_AMI 0 0.0000 -0.9210 -1.8540 0.6020 28 0 0 0 0 42 H9 H_ALI 0 0.0000 2.6830 -1.5350 0.5910 25 0 0 0 0 43 N13 N_AMI 0 0.0000 2.0330 1.7160 0.2740 24 44 0 0 0 44 C12 C_ARO 0 0.0000 0.7110 1.6530 0.2120 27 43 45 0 0 45 S23 S_RED 0 0.0000 -0.2120 3.1440 0.0350 44 46 0 0 0 46 C24 C_ARO 0 0.0000 -1.8500 2.5080 0.1690 45 47 51 0 0 47 C29 C_ARO 0 0.0000 -2.5700 2.1960 -0.9770 46 48 50 0 0 48 C28 C_ARO 0 0.0000 -3.8510 1.6940 -0.8710 47 49 55 0 0 49 H28 H_ALI 0 0.0000 -4.4100 1.4470 -1.7620 48 0 0 0 57 50 H29 H_ALI 0 0.0000 -2.1240 2.3390 -1.9510 47 0 0 0 56 51 C25 C_ARO 0 0.0000 -2.4230 2.3240 1.4210 46 52 53 0 0 52 H25 H_ALI 0 0.0000 -1.8640 2.5700 2.3120 51 0 0 0 56 53 C26 C_ARO 0 0.0000 -3.7060 1.8260 1.5260 51 54 55 0 0 54 H26 H_ALI 0 0.0000 -4.1520 1.6830 2.4990 53 0 0 0 57 55 C27 C_ARO 0 0.0000 -4.4240 1.5100 0.3800 48 53 59 0 0 56 Q9 PSEUD 0 0.0000 -1.9940 2.4545 0.1805 0 0 0 0 58 57 Q10 PSEUD 0 0.0000 -4.2810 1.5650 0.3685 0 0 0 0 58 58 QQA PSEUD 0 0.0000 -3.1375 2.0097 0.2745 0 0 0 0 0 59 N30 N_AMI 0 0.0000 -5.7270 1.0050 0.4870 55 60 61 0 0 60 H30 H_AMI 0 0.0000 -6.3080 1.3100 1.2010 59 0 0 0 0 61 C31 C_BYL 0 0.0000 -6.1720 0.0960 -0.4030 59 62 63 0 0 62 O32 O_BYL 0 0.0000 -5.4140 -0.3650 -1.2300 61 0 0 0 0 63 C33 C_ALI 0 0.0000 -7.6120 -0.3470 -0.3700 61 64 68 69 0 64 C34 C_ALI 0 0.0000 -8.0570 -1.3810 -1.4070 63 65 66 69 0 65 H341 H_ALI 0 0.0000 -9.0700 -1.2970 -1.7990 64 0 0 0 67 66 H342 H_ALI 0 0.0000 -7.3080 -1.7410 -2.1120 64 0 0 0 67 67 Q7 PSEUD 0 0.0000 -8.1890 -1.5190 -1.9555 0 0 0 0 0 68 H33 H_ALI 0 0.0000 -8.3330 0.4180 -0.0810 63 0 0 0 0 69 C35 C_ALI 0 0.0000 -7.8990 -1.7870 0.0600 63 64 70 71 0 70 H351 H_ALI 0 0.0000 -7.0460 -2.4140 0.3190 69 0 0 0 72 71 H352 H_ALI 0 0.0000 -8.8080 -1.9700 0.6320 69 0 0 0 72 72 Q8 PSEUD 0 0.0000 -7.9270 -2.1920 0.4755 0 0 0 0 0