REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine RESIDUE CKE 6 78 1 78 1 CHI1 0 0 0.0000 39 1 2 3 38 2 CHI2 0 0 0.0000 1 2 3 4 35 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 3 8 9 10 34 5 CHI5 0 0 0.0000 9 10 11 12 33 6 PHI1 0 0 0.0000 42 70 71 77 0 1 C11 C_ARO 0 0.0000 -1.4050 -0.7000 1.6420 2 39 45 0 0 2 C12 C_ALI 0 0.0000 -0.2420 -0.2170 2.4690 1 3 36 37 0 3 C13 C_ARO 0 0.0000 1.0290 -0.3380 1.6680 2 4 8 0 0 4 C14 C_ARO 0 0.0000 1.7680 -1.5050 1.7190 3 5 7 0 0 5 C15 C_ARO 0 0.0000 2.9330 -1.6190 0.9860 4 6 10 0 0 6 H15 H_ALI 0 0.0000 3.5100 -2.5310 1.0260 5 0 0 0 0 7 H14 H_ALI 0 0.0000 1.4350 -2.3290 2.3330 4 0 0 0 0 8 C18 C_ARO 0 0.0000 1.4490 0.7170 0.8790 3 9 35 0 0 9 C17 C_ARO 0 0.0000 2.6160 0.6120 0.1480 8 10 34 0 0 10 C16 C_ARO 0 0.0000 3.3620 -0.5590 0.1970 5 9 11 0 0 11 N19 N_AMO 0 0.0000 4.5400 -0.6710 -0.5460 10 12 20 0 0 12 C20 C_ALI 0 0.0000 5.6780 -1.0060 0.3210 11 13 17 18 0 13 C21 C_ALI 0 0.0000 6.9310 -1.1970 -0.5380 12 14 15 22 0 14 H211 H_ALI 0 0.0000 7.7830 -1.4160 0.1060 13 0 0 0 16 15 H212 H_ALI 0 0.0000 6.7750 -2.0240 -1.2300 13 0 0 0 16 16 Q1 PSEUD 0 0.0000 7.2790 -1.7200 -0.5620 0 0 0 0 0 17 H201 H_ALI 0 0.0000 5.4640 -1.9270 0.8620 12 0 0 0 19 18 H202 H_ALI 0 0.0000 5.8450 -0.1970 1.0320 12 0 0 0 19 19 Q2 PSEUD 0 0.0000 5.6545 -1.0620 0.9470 0 0 0 0 0 20 C24 C_ALI 0 0.0000 4.8030 0.5600 -1.3040 11 21 31 32 0 21 C23 C_ALI 0 0.0000 6.0560 0.3690 -2.1630 20 22 28 29 0 22 N22 N_AMO 0 0.0000 7.1940 0.0340 -1.2960 13 21 23 0 0 23 C31 C_ALI 0 0.0000 7.5150 1.1490 -0.3950 22 24 25 26 0 24 H311 H_ALI 0 0.0000 8.4030 0.9010 0.1880 23 0 0 0 27 25 H312 H_ALI 0 0.0000 7.7060 2.0470 -0.9820 23 0 0 0 27 26 H313 H_ALI 0 0.0000 6.6760 1.3260 0.2780 23 0 0 0 27 27 Q3 PSEUD 0 0.0000 7.5950 1.4247 -0.1720 0 0 0 0 0 28 H231 H_ALI 0 0.0000 5.8890 -0.4400 -2.8740 21 0 0 0 30 29 H232 H_ALI 0 0.0000 6.2690 1.2910 -2.7040 21 0 0 0 30 30 Q4 PSEUD 0 0.0000 6.0790 0.4255 -2.7890 0 0 0 0 0 31 H241 H_ALI 0 0.0000 3.9510 0.7800 -1.9470 20 0 0 0 33 32 H242 H_ALI 0 0.0000 4.9590 1.3880 -0.6120 20 0 0 0 33 33 Q5 PSEUD 0 0.0000 4.4550 1.0840 -1.2795 0 0 0 0 0 34 H17 H_ALI 0 0.0000 2.9470 1.4380 -0.4650 9 0 0 0 0 35 H18 H_ALI 0 0.0000 0.8670 1.6260 0.8380 8 0 0 0 0 36 H121 H_ALI 0 0.0000 -0.4000 0.8260 2.7440 2 0 0 0 38 37 H122 H_ALI 0 0.0000 -0.1610 -0.8230 3.3720 2 0 0 0 38 38 Q6 PSEUD 0 0.0000 -0.2805 0.0015 3.0580 0 0 0 0 0 39 C07 C_ARO 0 0.0000 -1.7940 -1.9810 1.5320 1 40 44 0 0 40 C03 C_ARO 0 0.0000 -2.9520 -1.9970 0.6390 39 41 68 0 0 41 C02 C_ARO 0 0.0000 -3.7980 -2.9830 0.1350 40 42 43 0 0 42 N01 N_AMO 0 0.0000 -4.7850 -2.6170 -0.6680 41 70 0 0 0 43 H02 H_ALI 0 0.0000 -3.6520 -4.0210 0.3930 41 0 0 0 0 44 H07 H_ALI 0 0.0000 -1.3390 -2.8350 2.0110 39 0 0 0 0 45 N08 N_AMI 0 0.0000 -2.2270 0.1030 0.8950 1 46 68 0 0 46 C25 C_ALI 0 0.0000 -2.1000 1.5580 0.7790 45 47 55 67 0 47 C27 C_ALI 0 0.0000 -1.8720 1.9340 -0.6870 46 48 52 53 0 48 C29 C_ALI 0 0.0000 -1.7390 3.4540 -0.8080 47 49 50 57 0 49 H291 H_ALI 0 0.0000 -0.8940 3.7940 -0.2100 48 0 0 0 51 50 H292 H_ALI 0 0.0000 -1.5770 3.7220 -1.8520 48 0 0 0 51 51 Q7 PSEUD 0 0.0000 -1.2355 3.7580 -1.0310 0 0 0 0 0 52 H271 H_ALI 0 0.0000 -0.9590 1.4600 -1.0460 47 0 0 0 54 53 H272 H_ALI 0 0.0000 -2.7180 1.5950 -1.2850 47 0 0 0 54 54 Q8 PSEUD 0 0.0000 -1.8385 1.5275 -1.1655 0 0 0 0 0 55 C26 C_ALI 0 0.0000 -3.3820 2.2230 1.2830 46 56 64 65 0 56 C28 C_ALI 0 0.0000 -3.2490 3.7430 1.1620 55 57 61 62 0 57 C30 C_ALI 0 0.0000 -3.0210 4.1200 -0.3030 48 56 58 59 0 58 H301 H_ALI 0 0.0000 -3.8670 3.7800 -0.9010 57 0 0 0 60 59 H302 H_ALI 0 0.0000 -2.9270 5.2020 -0.3890 57 0 0 0 60 60 Q9 PSEUD 0 0.0000 -3.3970 4.4910 -0.6450 0 0 0 0 0 61 H281 H_ALI 0 0.0000 -2.4030 4.0820 1.7600 56 0 0 0 63 62 H282 H_ALI 0 0.0000 -4.1620 4.2170 1.5220 56 0 0 0 63 63 Q10 PSEUD 0 0.0000 -3.2825 4.1495 1.6410 0 0 0 0 0 64 H261 H_ALI 0 0.0000 -4.2270 1.8830 0.6850 55 0 0 0 66 65 H262 H_ALI 0 0.0000 -3.5440 1.9550 2.3270 55 0 0 0 66 66 Q11 PSEUD 0 0.0000 -3.8855 1.9190 1.5060 0 0 0 0 0 67 H25 H_ALI 0 0.0000 -1.2540 1.8970 1.3770 46 0 0 0 0 68 C04 C_ARO 0 0.0000 -3.1830 -0.6530 0.2730 40 45 69 0 0 69 N05 N_AMI 0 0.0000 -4.1990 -0.3830 -0.5390 68 70 0 0 0 70 C06 C_ARO 0 0.0000 -4.9700 -1.3490 -0.9890 42 69 71 0 0 71 C09 C_ALI 0 0.0000 -6.1110 -0.9960 -1.9080 70 72 76 77 0 72 N10 N_AMO 0 0.0000 -5.6480 -1.0370 -3.3010 71 73 74 0 0 73 H101 H_AMI 0 0.0000 -6.3960 -0.8030 -3.9380 72 0 0 0 75 74 H102 H_AMI 0 0.0000 -4.8550 -0.4280 -3.4370 72 0 0 0 75 75 Q12 PSEUD 0 0.0000 -5.6255 -0.6155 -3.6875 0 0 0 0 0 76 H091 H_ALI 0 0.0000 -6.9220 -1.7120 -1.7730 71 0 0 0 78 77 H092 H_ALI 0 0.0000 -6.4700 0.0060 -1.6730 71 0 0 0 78 78 Q13 PSEUD 0 0.0000 -6.6960 -0.8530 -1.7230 0 0 0 0 0