REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide RESIDUE LIU 20 94 1 94 1 CHI1 0 0 0.0000 22 1 2 3 20 2 CHI2 0 0 0.0000 1 2 3 4 10 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 1 2 11 12 15 5 CHI5 0 0 0.0000 1 2 16 17 20 6 PHI1 0 0 0.0000 2 1 25 29 0 7 PHI2 0 0 0.0000 1 25 29 30 0 8 PHI3 0 0 0.0000 25 29 30 35 0 9 PHI4 0 0 0.0000 32 39 43 45 0 10 PHI5 0 0 0.0000 39 43 45 47 0 11 PHI6 0 0 0.0000 43 45 47 50 0 12 PHI7 0 0 0.0000 45 47 50 55 0 13 CHI6 0 0 0.0000 55 57 58 59 60 14 PHI8 0 0 0.0000 52 61 62 64 0 15 PHI9 0 0 0.0000 61 62 64 89 0 16 CHI7 0 0 0.0000 62 64 65 66 83 17 CHI8 0 0 0.0000 64 65 66 67 78 18 CHI9 0 0 0.0000 65 66 67 68 78 19 CHI10 0 0 0.0000 62 64 84 85 88 20 PHI10 0 0 0.0000 62 64 89 92 0 1 C1 C_ALI 0 0.0000 -0.0960 -0.6790 0.4220 2 22 23 25 0 2 C2 C_ALI 0 0.0000 0.6870 -2.0080 0.4210 1 3 11 16 0 3 C3 C_ALI 0 0.0000 0.2560 -2.8300 -0.8110 2 4 8 9 0 4 C4 C_ALI 0 0.0000 -1.2590 -3.0140 -0.9160 3 5 6 29 0 5 H41 H_ALI 0 0.0000 -1.4850 -3.5040 -1.8710 4 0 0 0 7 6 H42 H_ALI 0 0.0000 -1.6220 -3.6720 -0.1170 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 -1.5535 -3.5880 -0.9940 0 0 0 0 0 8 H31A H_ALI 0 0.0000 0.7410 -3.8140 -0.7980 3 0 0 0 10 9 H32A H_ALI 0 0.0000 0.6070 -2.3220 -1.7190 3 0 0 0 10 10 Q2 PSEUD 0 0.0000 0.6740 -3.0680 -1.2585 0 0 0 0 0 11 C7 C_ALI 0 0.0000 0.4390 -2.7930 1.7230 2 12 13 14 0 12 H71 H_ALI 0 0.0000 0.9910 -2.3430 2.5540 11 0 0 0 15 13 H72 H_ALI 0 0.0000 -0.6260 -2.7920 1.9750 11 0 0 0 15 14 H73 H_ALI 0 0.0000 0.7670 -3.8310 1.6130 11 0 0 0 15 15 Q3 PSEUD 0 0.0000 0.3773 -2.9887 2.0473 0 0 0 0 21 16 C8 C_ALI 0 0.0000 2.1940 -1.7070 0.3260 2 17 18 19 0 17 H81 H_ALI 0 0.0000 2.4900 -1.5580 -0.7170 16 0 0 0 20 18 H82 H_ALI 0 0.0000 2.4410 -0.8010 0.8860 16 0 0 0 20 19 H83 H_ALI 0 0.0000 2.7780 -2.5360 0.7350 16 0 0 0 20 20 Q4 PSEUD 0 0.0000 2.5697 -1.6317 0.3013 0 0 0 0 21 21 QQA PSEUD 0 0.0000 1.4735 -2.3102 1.1743 0 0 0 0 0 22 H11A H_ALI 0 0.0000 0.2390 -0.0680 -0.4280 1 0 0 0 24 23 H12 H_ALI 0 0.0000 0.1340 -0.1040 1.3270 1 0 0 0 24 24 Q5 PSEUD 0 0.0000 0.1865 -0.0860 0.4495 0 0 0 0 0 25 C6 C_ALI 0 0.0000 -1.6100 -0.8670 0.3130 1 26 27 29 0 26 H61 H_ALI 0 0.0000 -2.0090 -1.3160 1.2310 25 0 0 0 28 27 H62 H_ALI 0 0.0000 -2.0790 0.1180 0.2010 25 0 0 0 28 28 Q6 PSEUD 0 0.0000 -2.0440 -0.5990 0.7160 0 0 0 0 0 29 N5 N_AMI 0 0.0000 -1.9450 -1.7180 -0.8330 4 25 30 0 0 30 C9 C_ARO 0 0.0000 -3.2200 -1.6270 -1.4060 29 31 35 0 0 31 C14 C_ARO 0 0.0000 -4.3400 -1.2730 -0.6280 30 32 34 0 0 32 C13 C_ARO 0 0.0000 -5.6090 -1.1820 -1.1990 31 33 39 0 0 33 H13 H_ALI 0 0.0000 -6.4560 -0.9060 -0.5750 32 0 0 0 41 34 H14 H_ALI 0 0.0000 -4.2150 -1.0690 0.4320 31 0 0 0 40 35 C10 C_ARO 0 0.0000 -3.4190 -1.8870 -2.7760 30 36 37 0 0 36 H10 H_ALI 0 0.0000 -2.5720 -2.1620 -3.3990 35 0 0 0 40 37 C11 C_ARO 0 0.0000 -4.6890 -1.7950 -3.3470 35 38 39 0 0 38 H11 H_ALI 0 0.0000 -4.8130 -2.0010 -4.4070 37 0 0 0 41 39 C12 C_ARO 0 0.0000 -5.7840 -1.4430 -2.5580 32 37 43 0 0 40 Q10 PSEUD 0 0.0000 -3.3935 -1.6155 -1.4835 0 0 0 0 42 41 Q11 PSEUD 0 0.0000 -5.6345 -1.4535 -2.4910 0 0 0 0 42 42 QQC PSEUD 0 0.0000 -4.5140 -1.5345 -1.9872 0 0 0 0 0 43 C15 C_BYL 0 0.0000 -7.1070 -1.3490 -3.1530 39 44 45 0 0 44 O16 O_BYL 0 0.0000 -7.4250 -2.0090 -4.1540 43 0 0 0 0 45 N17 N_AMI 0 0.0000 -8.0430 -0.4500 -2.5180 43 46 47 0 0 46 HN17 H_AMI 0 0.0000 -7.7150 0.0620 -1.6910 45 0 0 0 0 47 S18 S_XXX 0 0.0000 -9.6560 -0.1650 -3.0280 45 48 49 50 0 48 O38 O_XXX 0 0.0000 -10.1540 1.0370 -2.3880 47 0 0 0 0 49 O39 O_XXX 0 0.0000 -9.7360 -0.3220 -4.4670 47 0 0 0 0 50 C19 C_ARO 0 0.0000 -10.4960 -1.5270 -2.2770 47 51 55 0 0 51 C24 C_ARO 0 0.0000 -11.0120 -1.3830 -1.0010 50 52 54 0 0 52 C23 C_ARO 0 0.0000 -11.6750 -2.4570 -0.4080 51 53 61 0 0 53 H23 H_ALI 0 0.0000 -12.0810 -2.3450 0.5940 52 0 0 0 0 54 H24 H_ALI 0 0.0000 -10.9110 -0.4500 -0.4530 51 0 0 0 0 55 C20 C_ARO 0 0.0000 -10.6220 -2.7140 -2.9790 50 56 57 0 0 56 H20 H_ALI 0 0.0000 -10.2100 -2.8100 -3.9810 55 0 0 0 0 57 C21 C_ARO 0 0.0000 -11.2850 -3.7890 -2.3860 55 58 61 0 0 58 N35 N_AMO 0 0.0000 -11.4110 -5.0050 -3.1150 57 59 60 0 0 59 O36 O_XXX 0 0.0000 -12.0060 -5.9700 -2.5820 58 0 0 0 0 60 O37 O_XXX 0 0.0000 -10.9210 -5.0730 -4.2660 58 0 0 0 0 61 C22 C_ARO 0 0.0000 -11.8120 -3.6600 -1.1010 52 57 62 0 0 62 N25 N_AMI 0 0.0000 -12.4880 -4.7340 -0.4780 61 63 64 0 0 63 HN25 H_AMI 0 0.0000 -13.3050 -5.0810 -0.9400 62 0 0 0 0 64 C26 C_ALI 0 0.0000 -12.0490 -5.3160 0.7500 62 65 84 89 0 65 C27 C_ALI 0 0.0000 -10.5110 -5.2300 0.8410 64 66 81 82 0 66 S28 S_RED 0 0.0000 -9.7800 -5.9620 2.3430 65 67 0 0 0 67 C29 C_ARO 0 0.0000 -8.0730 -5.6430 2.0250 66 68 72 0 0 68 C30 C_ARO 0 0.0000 -7.6760 -4.9850 0.8500 67 69 71 0 0 69 C31 C_ARO 0 0.0000 -6.3280 -4.7330 0.5990 68 70 74 0 0 70 H31 H_ALI 0 0.0000 -6.0310 -4.2230 -0.3130 69 0 0 0 79 71 H30 H_ALI 0 0.0000 -8.4170 -4.6640 0.1220 68 0 0 0 78 72 C34 C_ARO 0 0.0000 -7.0880 -6.0420 2.9420 67 73 77 0 0 73 C33 C_ARO 0 0.0000 -5.7400 -5.7890 2.6910 72 74 76 0 0 74 C32 C_ARO 0 0.0000 -5.3590 -5.1340 1.5190 69 73 75 0 0 75 H32 H_ALI 0 0.0000 -4.3090 -4.9370 1.3230 74 0 0 0 0 76 H33 H_ALI 0 0.0000 -4.9850 -6.1010 3.4070 73 0 0 0 79 77 H34 H_ALI 0 0.0000 -7.3650 -6.5530 3.8610 72 0 0 0 78 78 Q12 PSEUD 0 0.0000 -7.8910 -5.6085 1.9915 0 0 0 0 80 79 Q13 PSEUD 0 0.0000 -5.5080 -5.1620 1.5470 0 0 0 0 80 80 QQD PSEUD 0 0.0000 -6.6995 -5.3853 1.7693 0 0 0 0 0 81 H271 H_ALI 0 0.0000 -10.0550 -5.7340 -0.0180 65 0 0 0 83 82 H272 H_ALI 0 0.0000 -10.1880 -4.1820 0.8110 65 0 0 0 83 83 Q7 PSEUD 0 0.0000 -10.1215 -4.9580 0.3965 0 0 0 0 0 84 C40 C_ALI 0 0.0000 -12.4640 -6.7960 0.7450 64 85 86 87 0 85 H401 H_ALI 0 0.0000 -12.1690 -7.2940 1.6750 84 0 0 0 88 86 H402 H_ALI 0 0.0000 -13.5490 -6.9050 0.6340 84 0 0 0 88 87 H403 H_ALI 0 0.0000 -11.9990 -7.3370 -0.0880 84 0 0 0 88 88 Q8 PSEUD 0 0.0000 -12.5723 -7.1787 0.7403 0 0 0 0 0 89 C41 C_ALI 0 0.0000 -12.7530 -4.6080 1.9150 64 90 91 92 94 90 H411 H_ALI 0 0.0000 -12.5800 -3.5260 1.9080 89 0 0 0 93 91 H412 H_ALI 0 0.0000 -12.4120 -5.0000 2.8800 89 0 0 0 93 92 H413 H_ALI 0 0.0000 -13.8390 -4.7500 1.8620 89 0 0 0 93 93 Q9 PSEUD 0 0.0000 -12.9437 -4.4253 2.2167 0 0 0 0 0 94 QQB PSEUD 0 0.0000 NaN -2.3040 0.9575 0 0 0 0 94