REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate" RESIDUE G55 23 90 1 90 1 CHI1 0 0 0.0000 8 1 2 3 7 2 CHI2 0 0 0.0000 1 2 3 4 7 3 CHI3 0 0 0.0000 20 23 24 25 40 4 CHI4 0 0 0.0000 23 24 25 26 37 5 CHI5 0 0 0.0000 24 25 26 27 30 6 CHI6 0 0 0.0000 24 25 31 32 35 7 PHI1 0 0 0.0000 23 41 45 49 0 8 CHI7 0 0 0.0000 41 45 46 47 47 9 PHI2 0 0 0.0000 41 45 49 76 0 10 CHI8 0 0 0.0000 45 49 50 51 74 11 CHI9 0 0 0.0000 49 50 51 52 73 12 CHI10 0 0 0.0000 50 51 53 54 73 13 CHI11 0 0 0.0000 51 53 54 55 73 14 CHI12 0 0 0.0000 53 54 55 56 72 15 CHI13 0 0 0.0000 54 55 56 57 69 16 CHI14 0 0 0.0000 55 56 57 58 69 17 CHI15 0 0 0.0000 56 57 58 59 66 18 CHI16 0 0 0.0000 57 58 59 60 66 19 CHI17 0 0 0.0000 58 59 60 61 63 20 PHI3 0 0 0.0000 45 49 76 80 0 21 PHI4 0 0 0.0000 49 76 80 85 0 22 CHI18 0 0 0.0000 76 80 81 82 84 23 CHI19 0 0 0.0000 80 85 86 87 89 1 C2 C_ARO 0 0.0000 3.2460 -4.0360 0.1340 2 8 12 0 0 2 O39 O_EST 0 0.0000 2.9810 -5.3010 0.5530 1 3 0 0 0 3 C40 C_ALI 0 0.0000 3.9260 -5.9020 1.4400 2 4 5 6 0 4 H40 H_ALI 0 0.0000 4.0050 -5.3040 2.3470 3 0 0 0 7 5 H40A H_ALI 0 0.0000 3.5950 -6.9090 1.6960 3 0 0 0 7 6 H40B H_ALI 0 0.0000 4.9000 -5.9530 0.9530 3 0 0 0 7 7 Q1 PSEUD 0 0.0000 4.1667 -6.0553 1.6653 0 0 0 0 0 8 C7 C_ARO 0 0.0000 4.3900 -3.3840 0.5720 1 9 11 0 0 9 C6 C_ARO 0 0.0000 4.6590 -2.1000 0.1410 8 10 16 0 0 10 H6 H_ALI 0 0.0000 5.5510 -1.5930 0.4780 9 0 0 0 18 11 H7 H_ALI 0 0.0000 5.0700 -3.8820 1.2470 8 0 0 0 17 12 C3 C_ARO 0 0.0000 2.3710 -3.3920 -0.7290 1 13 14 0 0 13 H3 H_ALI 0 0.0000 1.4780 -3.8960 -1.0680 12 0 0 0 17 14 C4 C_ARO 0 0.0000 2.6420 -2.1050 -1.1530 12 15 16 0 0 15 H4 H_ALI 0 0.0000 1.9610 -1.6040 -1.8240 14 0 0 0 18 16 C5 C_ARO 0 0.0000 3.7850 -1.4600 -0.7190 9 14 20 0 0 17 Q11 PSEUD 0 0.0000 3.2740 -3.8890 0.0895 0 0 0 0 19 18 Q12 PSEUD 0 0.0000 3.7560 -1.5985 -0.6730 0 0 0 0 19 19 QQB PSEUD 0 0.0000 3.5150 -2.7438 -0.2917 0 0 0 0 0 20 S8 S_XXX 0 0.0000 4.1290 0.1810 -1.2620 16 21 22 23 0 21 O9 O_XXX 0 0.0000 5.5330 0.3590 -1.1370 20 0 0 0 0 22 O10 O_XXX 0 0.0000 3.4290 0.3530 -2.4870 20 0 0 0 0 23 N11 N_AMI 0 0.0000 3.4280 1.2140 -0.1740 20 24 41 0 0 24 C12 C_ALI 0 0.0000 4.1860 1.6740 0.9920 23 25 38 39 0 25 C13 C_ALI 0 0.0000 4.8650 3.0060 0.6660 24 26 31 37 0 26 C14 C_ALI 0 0.0000 3.8000 4.0790 0.4350 25 27 28 29 0 27 H14 H_ALI 0 0.0000 3.2460 3.8510 -0.4760 26 0 0 0 30 28 H14A H_ALI 0 0.0000 3.1140 4.0980 1.2810 26 0 0 0 30 29 H14B H_ALI 0 0.0000 4.2800 5.0520 0.3340 26 0 0 0 30 30 Q2 PSEUD 0 0.0000 3.5467 4.3337 0.3797 0 0 0 0 36 31 C15 C_ALI 0 0.0000 5.7620 3.4210 1.8340 25 32 33 34 0 32 H15 H_ALI 0 0.0000 6.5210 2.6560 1.9990 31 0 0 0 35 33 H15A H_ALI 0 0.0000 6.2460 4.3690 1.6020 31 0 0 0 35 34 H15B H_ALI 0 0.0000 5.1570 3.5330 2.7340 31 0 0 0 35 35 Q3 PSEUD 0 0.0000 5.9747 3.5193 2.1117 0 0 0 0 36 36 QQA PSEUD 0 0.0000 4.7607 3.9265 1.2457 0 0 0 0 0 37 H13 H_ALI 0 0.0000 5.4700 2.8940 -0.2340 25 0 0 0 0 38 H12 H_ALI 0 0.0000 3.5090 1.8090 1.8360 24 0 0 0 40 39 H12A H_ALI 0 0.0000 4.9430 0.9330 1.2490 24 0 0 0 40 40 Q4 PSEUD 0 0.0000 4.2260 1.3710 1.5425 0 0 0 0 0 41 C16 C_ALI 0 0.0000 2.0500 1.6680 -0.3780 23 42 43 45 0 42 H16 H_ALI 0 0.0000 1.9480 2.6920 -0.0180 41 0 0 0 44 43 H16A H_ALI 0 0.0000 1.8090 1.6310 -1.4400 41 0 0 0 44 44 Q5 PSEUD 0 0.0000 1.8785 2.1615 -0.7290 0 0 0 0 0 45 C17 C_ALI 0 0.0000 1.0940 0.7580 0.3950 41 46 48 49 0 46 O18 O_HYD 0 0.0000 1.3330 0.8950 1.7970 45 47 0 0 0 47 HO18 H_OXY 0 0.0000 1.2050 1.7930 2.1320 46 0 0 0 0 48 H17 H_ALI 0 0.0000 1.2580 -0.2780 0.0970 45 0 0 0 0 49 C19 C_ALI 0 0.0000 -0.3510 1.1540 0.0830 45 50 75 76 0 50 N20 N_AMO 0 0.0000 -1.2660 0.2090 0.7270 49 51 74 0 0 51 C21 C_BYL 0 0.0000 -2.5040 0.0220 0.2270 50 52 53 0 0 52 O22 O_BYL 0 0.0000 -2.8600 0.6380 -0.7580 51 0 0 0 0 53 O23 O_EST 0 0.0000 -3.3450 -0.8460 0.8190 51 54 0 0 0 54 C24 C_ALI 0 0.0000 -4.6620 -0.9970 0.2260 53 55 60 73 0 55 C25 C_ALI 0 0.0000 -4.6170 -2.0630 -0.7800 54 56 70 71 0 56 O26 O_EST 0 0.0000 -5.9030 -2.2680 -1.4000 55 57 0 0 0 57 C27 C_ALI 0 0.0000 -6.7650 -3.0440 -0.6180 56 58 67 68 0 58 O28 O_EST 0 0.0000 -7.6560 -2.2490 0.1940 57 59 0 0 0 59 C29 C_ALI 0 0.0000 -7.0670 -1.0770 0.8040 58 60 64 65 0 60 C30 C_ALI 0 0.0000 -5.6830 -1.3160 1.3380 54 59 61 62 0 61 H30 H_ALI 0 0.0000 -5.5820 -2.3590 1.6380 60 0 0 0 63 62 H30A H_ALI 0 0.0000 -5.5040 -0.6680 2.1960 60 0 0 0 63 63 Q6 PSEUD 0 0.0000 -5.5430 -1.5135 1.9170 0 0 0 0 0 64 H29 H_ALI 0 0.0000 -7.0230 -0.2800 0.0610 59 0 0 0 66 65 H29A H_ALI 0 0.0000 -7.7070 -0.7510 1.6250 59 0 0 0 66 66 Q7 PSEUD 0 0.0000 -7.3650 -0.5155 0.8430 0 0 0 0 0 67 H27 H_ALI 0 0.0000 -7.3600 -3.6780 -1.2750 57 0 0 0 69 68 H27A H_ALI 0 0.0000 -6.1690 -3.6810 0.0360 57 0 0 0 69 69 Q8 PSEUD 0 0.0000 -6.7645 -3.6795 -0.6195 0 0 0 0 0 70 H25 H_ALI 0 0.0000 -3.8910 -1.7970 -1.5480 55 0 0 0 72 71 H25A H_ALI 0 0.0000 -4.3020 -2.9900 -0.3000 55 0 0 0 72 72 Q9 PSEUD 0 0.0000 -4.0965 -2.3935 -0.9240 0 0 0 0 0 73 H24 H_ALI 0 0.0000 -4.9440 -0.0620 -0.2580 54 0 0 0 0 74 HN20 H_AMI 0 0.0000 -0.9820 -0.2830 1.5130 50 0 0 0 0 75 H19 H_ALI 0 0.0000 -0.5080 1.1350 -0.9950 49 0 0 0 0 76 C32 C_ALI 0 0.0000 -0.6180 2.5640 0.6120 49 77 78 80 0 77 H32 H_ALI 0 0.0000 -0.5480 2.5640 1.7000 76 0 0 0 79 78 H32A H_ALI 0 0.0000 0.1200 3.2530 0.2010 76 0 0 0 79 79 Q10 PSEUD 0 0.0000 -0.2140 2.9085 0.9505 0 0 0 0 0 80 C38 C_ARO 0 0.0000 -2.0000 3.0030 0.1990 76 81 85 0 0 81 C33 C_ARO 0 0.0000 -3.0820 2.7400 1.0180 80 82 84 0 0 82 C34 C_ARO 0 0.0000 -4.3490 3.1410 0.6380 81 83 87 0 0 83 H34 H_ALI 0 0.0000 -5.1950 2.9360 1.2780 82 0 0 0 0 84 H33 H_ALI 0 0.0000 -2.9370 2.2250 1.9560 81 0 0 0 0 85 C37 C_ARO 0 0.0000 -2.1840 3.6670 -0.9990 80 86 90 0 0 86 C36 C_ARO 0 0.0000 -3.4510 4.0690 -1.3780 85 87 89 0 0 87 C35 C_ARO 0 0.0000 -4.5340 3.8060 -0.5600 82 86 88 0 0 88 H35 H_ALI 0 0.0000 -5.5240 4.1190 -0.8570 87 0 0 0 0 89 H36 H_ALI 0 0.0000 -3.5960 4.5870 -2.3150 86 0 0 0 0 90 H37 H_ALI 0 0.0000 -1.3390 3.8720 -1.6390 85 0 0 0 0