REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide RESIDUE A3MS 7 62 1 62 1 CHI1 0 0 0.0000 23 24 25 26 32 2 CHI2 0 0 0.0000 24 25 26 27 30 3 CHI3 0 0 0.0000 7 8 38 39 39 4 PHI1 0 0 0.0000 41 42 46 50 0 5 PHI2 0 0 0.0000 42 46 50 57 0 6 CHI4 0 0 0.0000 46 50 51 52 55 7 PHI3 0 0 0.0000 46 50 57 60 0 1 C4 C_ARO 0 0.0000 4.2670 3.5710 -0.5600 2 6 7 0 0 2 C1 C_ARO 0 0.0000 5.5550 3.3820 -0.0530 1 3 5 0 0 3 C6 C_ARO 0 0.0000 5.6220 2.1280 0.4560 2 4 40 0 0 4 H6 H_ALI 0 0.0000 6.4910 1.6860 0.9200 3 0 0 0 0 5 H1 H_ALI 0 0.0000 6.3550 4.1070 -0.0650 2 0 0 0 0 6 H4 H_ALI 0 0.0000 3.8890 4.4630 -1.0370 1 0 0 0 0 7 C10 C_ARO 0 0.0000 3.5690 2.3980 -0.3390 1 8 40 0 0 8 C11 C_BYL 0 0.0000 2.2370 2.0200 -0.6410 7 9 38 0 0 9 C12 C_BYL 0 0.0000 1.7960 0.7400 -0.2930 8 10 36 0 0 10 C13 C_BYL 0 0.0000 0.4230 0.3170 -0.5900 9 11 16 0 0 11 N23 N_AMO 0 0.0000 0.2330 -0.7030 -1.5100 10 12 15 0 0 12 S32 S_XXX 0 0.0000 -1.1150 -1.6660 -1.2830 11 13 14 18 0 13 O27 O_XXX 0 0.0000 -0.8160 -2.5530 -0.2140 12 0 0 0 0 14 O28 O_XXX 0 0.0000 -1.5410 -2.0960 -2.5680 12 0 0 0 0 15 HN23 H_AMI 0 0.0000 0.8480 -0.8500 -2.2450 11 0 0 0 0 16 N21 N_AMO 0 0.0000 -0.5540 0.9170 0.0220 10 17 0 0 0 17 C7 C_ARO 0 0.0000 -1.8820 0.6460 -0.0780 16 18 21 0 0 18 C9 C_ARO 0 0.0000 -2.3350 -0.5320 -0.6860 12 17 19 0 0 19 C5 C_ARO 0 0.0000 -3.6740 -0.8000 -0.8050 18 20 23 0 0 20 H5 H_ALI 0 0.0000 -4.0050 -1.7120 -1.2790 19 0 0 0 0 21 C2 C_ARO 0 0.0000 -2.8260 1.5500 0.4230 17 22 35 0 0 22 C3 C_ARO 0 0.0000 -4.1710 1.2780 0.3060 21 23 34 0 0 23 C8 C_ARO 0 0.0000 -4.6050 0.1080 -0.3080 19 22 24 0 0 24 N25 N_AMO 0 0.0000 -5.9740 -0.1560 -0.4240 23 25 33 0 0 25 S33 S_XXX 0 0.0000 -6.9730 0.0620 0.8780 24 26 31 32 0 26 C17 C_ALI 0 0.0000 -6.3360 -1.0810 2.1340 25 27 28 29 0 27 H17 H_ALI 0 0.0000 -6.1900 -2.0650 1.6890 26 0 0 0 30 28 H17A H_ALI 0 0.0000 -5.3850 -0.7090 2.5150 26 0 0 0 30 29 H17B H_ALI 0 0.0000 -7.0510 -1.1550 2.9540 26 0 0 0 30 30 Q1 PSEUD 0 0.0000 -6.2087 -1.3097 2.3860 0 0 0 0 62 31 O30 O_XXX 0 0.0000 -8.2480 -0.3640 0.4170 25 0 0 0 0 32 O29 O_XXX 0 0.0000 -6.7480 1.4100 1.2700 25 0 0 0 0 33 HN25 H_AMI 0 0.0000 -6.3380 -0.4680 -1.2680 24 0 0 0 0 34 H3 H_ALI 0 0.0000 -4.8950 1.9790 0.6940 22 0 0 0 0 35 H2 H_ALI 0 0.0000 -2.4990 2.4620 0.9010 21 0 0 0 0 36 C14 C_BYL 0 0.0000 2.7290 -0.1720 0.3750 9 37 41 0 0 37 O26 O_BYL 0 0.0000 2.3690 -1.2920 0.6880 36 0 0 0 0 38 O31 O_HYD 0 0.0000 1.4040 2.8860 -1.2570 8 39 0 0 0 39 HO31 H_OXY 0 0.0000 0.5270 2.5230 -1.4450 38 0 0 0 0 40 N22 N_AMI 0 0.0000 4.4200 1.5160 0.2890 3 7 41 0 0 41 N24 N_AMI 0 0.0000 3.9850 0.2320 0.6410 36 40 42 0 0 42 C19 C_ALI 0 0.0000 4.9120 -0.6860 1.3080 41 43 44 46 0 43 H19 H_ALI 0 0.0000 5.6230 -0.1140 1.9030 42 0 0 0 45 44 H19A H_ALI 0 0.0000 4.3520 -1.3580 1.9580 42 0 0 0 45 45 Q2 PSEUD 0 0.0000 4.9875 -0.7360 1.9305 0 0 0 0 0 46 C18 C_ALI 0 0.0000 5.6660 -1.5020 0.2570 42 47 48 50 0 47 H18 H_ALI 0 0.0000 6.2260 -0.8300 -0.3930 46 0 0 0 49 48 H18A H_ALI 0 0.0000 4.9540 -2.0740 -0.3380 46 0 0 0 49 49 Q3 PSEUD 0 0.0000 5.5900 -1.4520 -0.3655 0 0 0 0 0 50 C20 C_ALI 0 0.0000 6.6340 -2.4610 0.9540 46 51 56 57 0 51 C15 C_ALI 0 0.0000 7.7080 -1.6560 1.6890 50 52 53 54 0 52 H15 H_ALI 0 0.0000 8.2560 -1.0430 0.9730 51 0 0 0 55 53 H15A H_ALI 0 0.0000 7.2350 -1.0130 2.4310 51 0 0 0 55 54 H15B H_ALI 0 0.0000 8.3970 -2.3390 2.1860 51 0 0 0 55 55 Q4 PSEUD 0 0.0000 7.9627 -1.4650 1.8633 0 0 0 0 62 56 H20 H_ALI 0 0.0000 6.0860 -3.0730 1.6700 50 0 0 0 0 57 C16 C_ALI 0 0.0000 7.2970 -3.3640 -0.0880 50 58 59 60 0 58 H16 H_ALI 0 0.0000 7.9860 -4.0460 0.4090 57 0 0 0 61 59 H16A H_ALI 0 0.0000 6.5320 -3.9370 -0.6110 57 0 0 0 61 60 H16B H_ALI 0 0.0000 7.8450 -2.7510 -0.8030 57 0 0 0 61 61 Q5 PSEUD 0 0.0000 7.4543 -3.5780 -0.3350 0 0 0 0 0 62 QQA PSEUD 0 0.0000 0.8770 -1.3873 2.1247 0 0 0 0 0