REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE RESIDUE MZ5 20 86 1 86 1 CHI1 0 0 0.0000 1 2 3 4 19 2 CHI2 0 0 0.0000 2 3 4 5 16 3 CHI3 0 0 0.0000 3 4 5 6 9 4 CHI4 0 0 0.0000 3 4 10 11 14 5 CHI5 0 0 0.0000 2 3 17 18 18 6 PHI1 0 0 0.0000 1 2 20 22 0 7 PHI2 0 0 0.0000 2 20 22 42 0 8 CHI6 0 0 0.0000 20 22 23 24 40 9 CHI7 0 0 0.0000 22 23 24 25 35 10 PHI3 0 0 0.0000 20 22 42 46 0 11 CHI8 0 0 0.0000 22 42 43 44 44 12 PHI4 0 0 0.0000 22 42 46 50 0 13 PHI5 0 0 0.0000 42 46 50 71 0 14 CHI9 0 0 0.0000 46 50 51 52 70 15 CHI10 0 0 0.0000 50 51 52 53 67 16 CHI11 0 0 0.0000 51 52 53 54 57 17 CHI12 0 0 0.0000 51 52 58 59 66 18 CHI13 0 0 0.0000 52 58 59 60 63 19 PHI6 0 0 0.0000 46 50 71 74 0 20 PHI7 0 0 0.0000 50 71 74 85 0 1 O22 O_BYL 0 0.0000 3.4180 -0.3700 -1.6900 2 0 0 0 0 2 C21 C_BYL 0 0.0000 3.6300 0.0460 -0.5700 1 3 20 0 0 3 C22 C_ALI 0 0.0000 4.8270 0.9230 -0.3060 2 4 17 19 0 4 C24 C_ALI 0 0.0000 4.3570 2.3300 0.0680 3 5 10 16 0 5 C26 C_ALI 0 0.0000 5.5650 3.1860 0.4510 4 6 7 8 0 6 H261 H_ALI 0 0.0000 6.2520 3.2450 -0.3930 5 0 0 0 9 7 H262 H_ALI 0 0.0000 5.2290 4.1890 0.7170 5 0 0 0 9 8 H263 H_ALI 0 0.0000 6.0740 2.7350 1.3030 5 0 0 0 9 9 Q1 PSEUD 0 0.0000 5.8517 3.3897 0.5423 0 0 0 0 15 10 C25 C_ALI 0 0.0000 3.6420 2.9630 -1.1280 4 11 12 13 0 11 H251 H_ALI 0 0.0000 4.3540 3.1120 -1.9400 10 0 0 0 14 12 H252 H_ALI 0 0.0000 2.8420 2.3030 -1.4640 10 0 0 0 14 13 H253 H_ALI 0 0.0000 3.2210 3.9240 -0.8330 10 0 0 0 14 14 Q2 PSEUD 0 0.0000 3.4723 3.1130 -1.4123 0 0 0 0 15 15 QQA PSEUD 0 0.0000 4.6620 3.2513 -0.4350 0 0 0 0 0 16 H24 H_ALI 0 0.0000 3.6700 2.2710 0.9120 4 0 0 0 0 17 O23 O_HYD 0 0.0000 5.6380 0.9880 -1.4810 3 18 0 0 0 18 HO23 H_OXY 0 0.0000 5.1840 1.3510 -2.2530 17 0 0 0 0 19 H22 H_ALI 0 0.0000 5.4090 0.5040 0.5150 3 0 0 0 0 20 N20 N_AMI 0 0.0000 2.7910 -0.2710 0.4360 2 21 22 0 0 21 HN20 H_AMI 0 0.0000 2.9150 0.1240 1.3140 20 0 0 0 0 22 C19 C_ALI 0 0.0000 1.6920 -1.2120 0.2050 20 23 41 42 0 23 C32 C_ALI 0 0.0000 1.8180 -2.3900 1.1730 22 24 38 39 0 24 C38 C_ARO 0 0.0000 3.0800 -3.1560 0.8700 23 25 29 0 0 25 C37 C_ARO 0 0.0000 4.2380 -2.8870 1.5760 24 26 28 0 0 26 C36 C_ARO 0 0.0000 5.3950 -3.5900 1.2980 25 27 31 0 0 27 H36 H_ALI 0 0.0000 6.3000 -3.3800 1.8490 26 0 0 0 36 28 H37 H_ALI 0 0.0000 4.2380 -2.1280 2.3440 25 0 0 0 35 29 C33 C_ARO 0 0.0000 3.0780 -4.1310 -0.1090 24 30 34 0 0 30 C34 C_ARO 0 0.0000 4.2370 -4.8310 -0.3900 29 31 33 0 0 31 C35 C_ARO 0 0.0000 5.3950 -4.5620 0.3150 26 30 32 0 0 32 H35 H_ALI 0 0.0000 6.3000 -5.1100 0.0980 31 0 0 0 0 33 H34 H_ALI 0 0.0000 4.2370 -5.5900 -1.1590 30 0 0 0 36 34 H33 H_ALI 0 0.0000 2.1730 -4.3440 -0.6580 29 0 0 0 35 35 Q9 PSEUD 0 0.0000 3.2055 -3.2360 0.8430 0 0 0 0 37 36 Q10 PSEUD 0 0.0000 5.2685 -4.4850 0.3450 0 0 0 0 37 37 QQB PSEUD 0 0.0000 4.2370 -3.8605 0.5940 0 0 0 0 0 38 H321 H_ALI 0 0.0000 1.8560 -2.0170 2.1970 23 0 0 0 40 39 H322 H_ALI 0 0.0000 0.9570 -3.0480 1.0580 23 0 0 0 40 40 Q3 PSEUD 0 0.0000 1.4065 -2.5325 1.6275 0 0 0 0 0 41 H19 H_ALI 0 0.0000 1.7370 -1.5770 -0.8200 22 0 0 0 0 42 C17 C_ALI 0 0.0000 0.3570 -0.5020 0.4370 22 43 45 46 0 43 O18 O_HYD 0 0.0000 -0.7150 -1.4200 0.2110 42 44 0 0 0 44 HO18 H_OXY 0 0.0000 -0.7380 -1.7860 -0.6830 43 0 0 0 0 45 H17 H_ALI 0 0.0000 0.3120 -0.1360 1.4620 42 0 0 0 0 46 C16 C_ALI 0 0.0000 0.2310 0.6760 -0.5310 42 47 48 50 0 47 H161 H_ALI 0 0.0000 1.0990 1.3270 -0.4260 46 0 0 0 49 48 H162 H_ALI 0 0.0000 0.1780 0.3030 -1.5540 46 0 0 0 49 49 Q4 PSEUD 0 0.0000 0.6385 0.8150 -0.9900 0 0 0 0 0 50 N11 N_AMI 0 0.0000 -0.9860 1.4320 -0.2240 46 51 71 0 0 51 C12 C_ALI 0 0.0000 -1.1000 2.1530 1.0460 50 52 68 69 0 52 C13 C_ALI 0 0.0000 -0.1620 3.3620 1.0320 51 53 58 67 0 53 C14 C_ALI 0 0.0000 -0.6280 4.3570 -0.0330 52 54 55 56 0 54 H141 H_ALI 0 0.0000 -1.6410 4.6860 0.1960 53 0 0 0 57 55 H142 H_ALI 0 0.0000 0.0410 5.2180 -0.0420 53 0 0 0 57 56 H143 H_ALI 0 0.0000 -0.6140 3.8750 -1.0100 53 0 0 0 57 57 Q5 PSEUD 0 0.0000 -0.7380 4.5930 -0.2853 0 0 0 0 0 58 C15 C_ALI 0 0.0000 -0.1820 4.0380 2.4050 52 59 64 65 0 59 C18 C_ALI 0 0.0000 0.8480 5.1690 2.4310 58 60 61 62 0 60 H181 H_ALI 0 0.0000 0.6020 5.9020 1.6610 59 0 0 0 63 61 H182 H_ALI 0 0.0000 0.8340 5.6510 3.4080 59 0 0 0 63 62 H183 H_ALI 0 0.0000 1.8410 4.7620 2.2400 59 0 0 0 63 63 Q6 PSEUD 0 0.0000 1.0923 5.4383 2.4363 0 0 0 0 0 64 H151 H_ALI 0 0.0000 -1.1740 4.4450 2.5950 58 0 0 0 66 65 H152 H_ALI 0 0.0000 0.0640 3.3060 3.1740 58 0 0 0 66 66 Q7 PSEUD 0 0.0000 -0.5550 3.8755 2.8845 0 0 0 0 0 67 H13 H_ALI 0 0.0000 0.8510 3.0330 0.8040 52 0 0 0 0 68 H121 H_ALI 0 0.0000 -2.1270 2.4920 1.1810 51 0 0 0 70 69 H122 H_ALI 0 0.0000 -0.8260 1.4900 1.8660 51 0 0 0 70 70 Q8 PSEUD 0 0.0000 -1.4765 1.9910 1.5235 0 0 0 0 0 71 S8 S_XXX 0 0.0000 -2.2330 1.4720 -1.3140 50 72 73 74 0 72 O10 O_XXX 0 0.0000 -2.9740 2.6510 -1.0330 71 0 0 0 0 73 O9 O_XXX 0 0.0000 -1.6630 1.1970 -2.5860 71 0 0 0 0 74 C5 C_ARO 0 0.0000 -3.2950 0.1160 -0.9410 71 75 85 0 0 75 C4 C_ARO 0 0.0000 -4.3350 0.2810 -0.0540 74 76 84 0 0 76 C3 C_ARO 0 0.0000 -5.1740 -0.7910 0.2410 75 77 80 0 0 77 S1 S_RED 0 0.0000 -6.5700 -0.9280 1.3050 76 78 0 0 0 78 C1 C_ARO 0 0.0000 -6.7610 -2.5700 0.8830 77 79 81 0 0 79 H1 H_ALI 0 0.0000 -7.5360 -3.2130 1.2760 78 0 0 0 0 80 C2 C_ARO 0 0.0000 -4.9660 -2.0360 -0.3610 76 81 82 0 0 81 N1 N_AMO 0 0.0000 -5.8730 -2.9460 0.0430 78 80 0 0 0 82 C7 C_ARO 0 0.0000 -3.8930 -2.1750 -1.2650 80 83 85 0 0 83 H7 H_ALI 0 0.0000 -3.7120 -3.1280 -1.7410 82 0 0 0 0 84 H4 H_ALI 0 0.0000 -4.4990 1.2410 0.4140 75 0 0 0 0 85 C6 C_ARO 0 0.0000 -3.0850 -1.1150 -1.5450 74 82 86 0 0 86 H6 H_ALI 0 0.0000 -2.2700 -1.2350 -2.2430 85 0 0 0 0