REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE RESIDUE A740 15 71 1 71 1 CHI1 0 0 0.0000 3 8 9 10 45 2 CHI2 0 0 0.0000 8 9 10 11 42 3 CHI3 0 0 0.0000 9 10 11 12 41 4 CHI4 0 0 0.0000 10 11 12 13 40 5 CHI5 0 0 0.0000 20 21 24 25 39 6 CHI6 0 0 0.0000 21 24 25 26 32 7 CHI7 0 0 0.0000 24 25 26 27 29 8 CHI8 0 0 0.0000 21 24 33 34 39 9 CHI9 0 0 0.0000 24 33 34 35 37 10 PHI1 0 0 0.0000 2 1 51 64 0 11 CHI10 0 0 0.0000 1 51 52 53 63 12 CHI11 0 0 0.0000 51 52 53 54 60 13 CHI12 0 0 0.0000 52 53 54 55 57 14 PHI2 0 0 0.0000 1 51 64 68 0 15 PHI3 0 0 0.0000 51 64 68 70 0 1 C1 C_ARO 0 0.0000 -5.8980 -0.3030 0.1410 2 6 51 0 0 2 C2 C_ARO 0 0.0000 -5.2130 -0.5360 -1.0440 1 3 5 0 0 3 C3 C_ARO 0 0.0000 -3.8640 -0.8350 -1.0140 2 4 8 0 0 4 H3 H_ALI 0 0.0000 -3.3310 -1.0170 -1.9350 3 0 0 0 49 5 H2 H_ALI 0 0.0000 -5.7330 -0.4850 -1.9890 2 0 0 0 48 6 C6 C_ARO 0 0.0000 -5.2240 -0.3710 1.3540 1 7 47 0 0 7 C5 C_ARO 0 0.0000 -3.8760 -0.6700 1.3780 6 8 46 0 0 8 C4 C_ARO 0 0.0000 -3.1970 -0.9010 0.1960 3 7 9 0 0 9 C7 C_ALI 0 0.0000 -1.7260 -1.2280 0.2250 8 10 43 44 0 10 C8 C_BYL 0 0.0000 -0.9270 0.0470 0.1410 9 11 42 0 0 11 N9 N_AMO 0 0.0000 0.4200 -0.0000 0.1500 10 12 41 0 0 12 C10 C_ARO 0 0.0000 1.1630 1.1840 0.0720 11 13 16 0 0 13 N11 N_AMO 0 0.0000 0.6770 2.3940 -0.0140 12 14 0 0 0 14 N12 N_AMO 0 0.0000 1.7190 3.3250 -0.0730 13 15 17 0 0 15 H12 H_AMI 0 0.0000 1.6100 4.2860 -0.1400 14 0 0 0 0 16 C18 C_ARO 0 0.0000 2.6220 1.2890 0.0770 12 17 20 0 0 17 C13 C_ARO 0 0.0000 2.9200 2.6610 -0.0220 14 16 18 0 0 18 C14 C_ARO 0 0.0000 4.2490 3.0780 -0.0430 17 19 22 0 0 19 H14 H_ALI 0 0.0000 4.4840 4.1290 -0.1150 18 0 0 0 0 20 C17 C_ARO 0 0.0000 3.6620 0.3560 0.1400 16 21 40 0 0 21 C16 C_ARO 0 0.0000 4.9710 0.7950 0.1170 20 22 24 0 0 22 C15 C_ARO 0 0.0000 5.2560 2.1580 0.0250 18 21 23 0 0 23 H15 H_ALI 0 0.0000 6.2840 2.4890 0.0070 22 0 0 0 0 24 N19 N_AMO 0 0.0000 6.0180 -0.1320 0.1850 21 25 33 0 0 25 C22 C_ALI 0 0.0000 7.3800 0.1280 0.6760 24 26 30 31 0 26 C9 C_ALI 0 0.0000 8.3840 -0.8050 -0.0290 25 27 28 34 0 27 H91 H_ALI 0 0.0000 8.5420 -0.4860 -1.0590 26 0 0 0 29 28 H92 H_ALI 0 0.0000 9.3290 -0.8270 0.5140 26 0 0 0 29 29 Q1 PSEUD 0 0.0000 8.9355 -0.6565 -0.2725 0 0 0 0 0 30 H221 H_ALI 0 0.0000 7.6460 1.1650 0.4720 25 0 0 0 32 31 H222 H_ALI 0 0.0000 7.4160 -0.0490 1.7510 25 0 0 0 32 32 Q2 PSEUD 0 0.0000 7.5310 0.5580 1.1115 0 0 0 0 0 33 S1 S_XXX 0 0.0000 5.9480 -1.7370 -0.2680 24 34 38 39 0 34 C12 C_ALI 0 0.0000 7.7010 -2.2030 0.0100 26 33 35 36 0 35 H121 H_ALI 0 0.0000 8.0720 -2.8440 -0.7900 34 0 0 0 37 36 H122 H_ALI 0 0.0000 7.8300 -2.6770 0.9830 34 0 0 0 37 37 Q3 PSEUD 0 0.0000 7.9510 -2.7605 0.0965 0 0 0 0 0 38 O2 O_XXX 0 0.0000 5.0930 -2.3550 0.6830 33 0 0 0 0 39 O3 O_XXX 0 0.0000 5.6360 -1.7180 -1.6540 33 0 0 0 0 40 H17 H_ALI 0 0.0000 3.4430 -0.6990 0.2110 20 0 0 0 0 41 HN9 H_AMI 0 0.0000 0.8750 -0.8550 0.2120 11 0 0 0 0 42 O24 O_BYL 0 0.0000 -1.4950 1.1150 0.0640 10 0 0 0 0 43 H71 H_ALI 0 0.0000 -1.4870 -1.7460 1.1540 9 0 0 0 45 44 H72 H_ALI 0 0.0000 -1.4790 -1.8680 -0.6210 9 0 0 0 45 45 Q4 PSEUD 0 0.0000 -1.4830 -1.8070 0.2665 0 0 0 0 0 46 H5 H_ALI 0 0.0000 -3.3520 -0.7230 2.3200 7 0 0 0 49 47 H6 H_ALI 0 0.0000 -5.7540 -0.1890 2.2780 6 0 0 0 48 48 Q10 PSEUD 0 0.0000 -5.7435 -0.3370 0.1445 0 0 0 0 50 49 Q11 PSEUD 0 0.0000 -3.3415 -0.8700 0.1925 0 0 0 0 50 50 QQA PSEUD 0 0.0000 -4.5425 -0.6035 0.1685 0 0 0 0 0 51 N1 N_AMI 0 0.0000 -7.2600 0.0050 0.1140 1 52 64 0 0 52 C19 C_ALI 0 0.0000 -8.0270 -0.9270 0.9500 51 53 61 62 0 53 C20 C_ALI 0 0.0000 -9.4880 -0.4750 1.0120 52 54 58 59 0 54 C21 C_ALI 0 0.0000 -10.0660 -0.4360 -0.4050 53 55 56 68 0 55 H211 H_ALI 0 0.0000 -10.0480 -1.4380 -0.8330 54 0 0 0 57 56 H212 H_ALI 0 0.0000 -11.0930 -0.0730 -0.3700 54 0 0 0 57 57 Q5 PSEUD 0 0.0000 -10.5705 -0.7555 -0.6015 0 0 0 0 0 58 H201 H_ALI 0 0.0000 -10.0600 -1.1750 1.6200 53 0 0 0 60 59 H202 H_ALI 0 0.0000 -9.5420 0.5200 1.4540 53 0 0 0 60 60 Q6 PSEUD 0 0.0000 -9.8010 -0.3275 1.5370 0 0 0 0 0 61 H191 H_ALI 0 0.0000 -7.9750 -1.9280 0.5200 52 0 0 0 63 62 H192 H_ALI 0 0.0000 -7.6080 -0.9420 1.9560 52 0 0 0 63 63 Q7 PSEUD 0 0.0000 -7.7915 -1.4350 1.2380 0 0 0 0 0 64 C11 C_ALI 0 0.0000 -7.7670 0.0230 -1.2640 51 65 66 68 0 65 H111 H_ALI 0 0.0000 -7.1600 0.6990 -1.8660 64 0 0 0 67 66 H112 H_ALI 0 0.0000 -7.7160 -0.9820 -1.6840 64 0 0 0 67 67 Q8 PSEUD 0 0.0000 -7.4380 -0.1415 -1.7750 0 0 0 0 0 68 C23 C_ALI 0 0.0000 -9.2200 0.5040 -1.2680 54 64 69 70 0 69 H231 H_ALI 0 0.0000 -9.2700 1.5140 -0.8620 68 0 0 0 71 70 H232 H_ALI 0 0.0000 -9.6010 0.5030 -2.2890 68 0 0 0 71 71 Q9 PSEUD 0 0.0000 -9.4355 1.0085 -1.5755 0 0 0 0 0