REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE" RESIDUE A1UN 27 101 1 101 1 CHI1 0 0 0.0000 35 1 2 3 34 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 1 2 7 8 33 4 CHI4 0 0 0.0000 2 7 8 9 30 5 CHI5 0 0 0.0000 7 8 9 10 29 6 CHI6 0 0 0.0000 8 9 10 11 28 7 CHI7 0 0 0.0000 9 10 11 12 26 8 CHI8 0 0 0.0000 10 11 12 13 16 9 CHI9 0 0 0.0000 10 11 17 18 21 10 CHI10 0 0 0.0000 10 11 22 23 26 11 CHI11 0 0 0.0000 2 1 35 36 46 12 CHI12 0 0 0.0000 1 35 36 37 43 13 CHI13 0 0 0.0000 35 36 37 38 40 14 PHI1 0 0 0.0000 2 1 48 52 0 15 PHI2 0 0 0.0000 1 48 52 53 0 16 PHI3 0 0 0.0000 48 52 53 57 0 17 PHI4 0 0 0.0000 52 53 57 61 0 18 CHI14 0 0 0.0000 53 57 58 59 59 19 PHI5 0 0 0.0000 53 57 61 83 0 20 CHI15 0 0 0.0000 57 61 62 63 81 21 CHI16 0 0 0.0000 61 62 63 64 80 22 CHI17 0 0 0.0000 62 63 65 66 80 23 CHI18 0 0 0.0000 70 71 74 75 75 24 CHI19 0 0 0.0000 65 70 76 77 80 25 PHI6 0 0 0.0000 57 61 83 87 0 26 PHI7 0 0 0.0000 61 83 87 88 0 27 PHI8 0 0 0.0000 83 87 88 97 0 1 C1 C_ALI 0 0.0000 -1.9540 -2.1510 -4.0310 2 35 47 48 0 2 C2 C_ALI 0 0.0000 -1.1010 -1.8080 -5.2550 1 3 7 34 0 3 C3 C_ALI 0 0.0000 -1.9120 -2.0130 -6.5330 2 4 5 37 0 4 H31A H_ALI 0 0.0000 -2.1890 -3.0650 -6.6080 3 0 0 0 6 5 H32A H_ALI 0 0.0000 -1.3050 -1.7370 -7.3950 3 0 0 0 6 6 Q1 PSEUD 0 0.0000 -1.7470 -2.4010 -7.0015 0 0 0 0 0 7 C9 C_ALI 0 0.0000 -0.6690 -0.3440 -5.1370 2 8 31 32 0 8 C8 C_ALI 0 0.0000 0.0730 -0.1290 -3.8360 7 9 30 52 0 9 C11 C_BYL 0 0.0000 0.5140 1.3090 -3.7440 8 10 29 0 0 10 N12 N_AMO 0 0.0000 1.7160 1.6780 -4.2310 9 11 28 0 0 11 C13 C_ALI 0 0.0000 2.1440 3.0760 -4.1410 10 12 17 22 0 12 C14 C_ALI 0 0.0000 3.5340 3.2240 -4.7630 11 13 14 15 0 13 H141 H_ALI 0 0.0000 3.8530 4.2640 -4.6960 12 0 0 0 16 14 H142 H_ALI 0 0.0000 4.2420 2.5920 -4.2260 12 0 0 0 16 15 H143 H_ALI 0 0.0000 3.4980 2.9210 -5.8100 12 0 0 0 16 16 Q2 PSEUD 0 0.0000 3.8643 3.2590 -4.9107 0 0 0 0 27 17 C15 C_ALI 0 0.0000 1.1510 3.9630 -4.8950 11 18 19 20 0 18 H151 H_ALI 0 0.0000 1.1150 3.6600 -5.9420 17 0 0 0 21 19 H152 H_ALI 0 0.0000 0.1610 3.8570 -4.4520 17 0 0 0 21 20 H153 H_ALI 0 0.0000 1.4700 5.0030 -4.8280 17 0 0 0 21 21 Q3 PSEUD 0 0.0000 0.9153 4.1733 -5.0740 0 0 0 0 27 22 C16 C_ALI 0 0.0000 2.1940 3.5010 -2.6720 11 23 24 25 0 23 H161 H_ALI 0 0.0000 2.9020 2.8690 -2.1350 22 0 0 0 26 24 H162 H_ALI 0 0.0000 2.5130 4.5410 -2.6060 22 0 0 0 26 25 H163 H_ALI 0 0.0000 1.2040 3.3950 -2.2290 22 0 0 0 26 26 Q4 PSEUD 0 0.0000 2.2063 3.6017 -2.3233 0 0 0 0 27 27 QQA PSEUD 0 0.0000 2.3287 3.6780 -4.1027 0 0 0 0 0 28 HNC H_AMI 0 0.0000 2.2960 1.0180 -4.6410 10 0 0 0 0 29 O17 O_BYL 0 0.0000 -0.2110 2.1340 -3.2310 9 0 0 0 0 30 H8 H_ALI 0 0.0000 0.9480 -0.7780 -3.8070 8 0 0 0 0 31 H91 H_ALI 0 0.0000 -0.0090 -0.0910 -5.9670 7 0 0 0 33 32 H92 H_ALI 0 0.0000 -1.5490 0.2980 -5.1610 7 0 0 0 33 33 Q5 PSEUD 0 0.0000 -0.7790 0.1035 -5.5640 0 0 0 0 0 34 H2 H_ALI 0 0.0000 -0.2170 -2.4440 -5.2820 2 0 0 0 0 35 C6 C_ALI 0 0.0000 -3.2240 -1.2980 -4.0150 1 36 44 45 0 36 C5 C_ALI 0 0.0000 -4.0260 -1.5440 -5.2940 35 37 41 42 0 37 C4 C_ALI 0 0.0000 -3.1780 -1.1550 -6.5070 3 36 38 39 0 38 H41 H_ALI 0 0.0000 -3.7500 -1.3210 -7.4190 37 0 0 0 40 39 H42 H_ALI 0 0.0000 -2.9030 -0.1030 -6.4360 37 0 0 0 40 40 Q6 PSEUD 0 0.0000 -3.3265 -0.7120 -6.9275 0 0 0 0 0 41 H51 H_ALI 0 0.0000 -4.2920 -2.5990 -5.3590 36 0 0 0 43 42 H52 H_ALI 0 0.0000 -4.9340 -0.9400 -5.2760 36 0 0 0 43 43 Q7 PSEUD 0 0.0000 -4.6130 -1.7695 -5.3175 0 0 0 0 0 44 H61 H_ALI 0 0.0000 -3.8300 -1.5660 -3.1500 35 0 0 0 46 45 H62 H_ALI 0 0.0000 -2.9530 -0.2440 -3.9550 35 0 0 0 46 46 Q8 PSEUD 0 0.0000 -3.3915 -0.9050 -3.5525 0 0 0 0 0 47 H1 H_ALI 0 0.0000 -2.2220 -3.2080 -4.0550 1 0 0 0 0 48 C10 C_ALI 0 0.0000 -1.1400 -1.8540 -2.7660 1 49 50 52 0 49 H101 H_ALI 0 0.0000 -0.2160 -2.4310 -2.7850 48 0 0 0 51 50 H102 H_ALI 0 0.0000 -1.7230 -2.1290 -1.8870 48 0 0 0 51 51 Q9 PSEUD 0 0.0000 -0.9695 -2.2800 -2.3360 0 0 0 0 0 52 N7 N_AMI 0 0.0000 -0.8230 -0.4230 -2.7140 8 48 53 0 0 53 C18 C_ALI 0 0.0000 -0.0460 -0.2070 -1.4850 52 54 55 57 0 54 H181 H_ALI 0 0.0000 0.3230 0.8170 -1.4650 53 0 0 0 56 55 H182 H_ALI 0 0.0000 0.7950 -0.8990 -1.4620 53 0 0 0 56 56 Q10 PSEUD 0 0.0000 0.5590 -0.0410 -1.4635 0 0 0 0 0 57 C19 C_ALI 0 0.0000 -0.9410 -0.4510 -0.2680 53 58 60 61 0 58 O21 O_HYD 0 0.0000 -1.2160 -1.8480 -0.1510 57 59 0 0 0 59 HOL H_OXY 0 0.0000 -0.3650 -2.2930 -0.0460 58 0 0 0 0 60 H19 H_ALI 0 0.0000 -1.8760 0.0950 -0.3890 57 0 0 0 0 61 C20 C_ALI 0 0.0000 -0.2260 0.0340 0.9940 57 62 82 83 0 62 N22 N_AMO 0 0.0000 -1.0820 -0.1980 2.1600 61 63 81 0 0 63 C24 C_BYL 0 0.0000 -1.0040 0.6200 3.2270 62 64 65 0 0 64 O25 O_BYL 0 0.0000 -0.2230 1.5510 3.2230 63 0 0 0 0 65 C29 C_ARO 0 0.0000 -1.8680 0.3840 4.4040 63 66 70 0 0 66 C30 C_ARO 0 0.0000 -2.6100 -0.7930 4.5040 65 67 69 0 0 67 C31 C_ARO 0 0.0000 -3.4160 -1.0090 5.6030 66 68 72 0 0 68 H31 H_ALI 0 0.0000 -3.9930 -1.9190 5.6760 67 0 0 0 0 69 H30 H_ALI 0 0.0000 -2.5580 -1.5330 3.7190 66 0 0 0 0 70 C34 C_ARO 0 0.0000 -1.9350 1.3330 5.4240 65 71 76 0 0 71 C33 C_ARO 0 0.0000 -2.7460 1.1050 6.5240 70 72 74 0 0 72 C32 C_ARO 0 0.0000 -3.4860 -0.0650 6.6110 67 71 73 0 0 73 H32 H_ALI 0 0.0000 -4.1180 -0.2400 7.4690 72 0 0 0 0 74 O38 O_HYD 0 0.0000 -2.8180 2.0300 7.5180 71 75 0 0 0 75 HO H_OXY 0 0.0000 -3.5380 2.6330 7.2870 74 0 0 0 0 76 C39 C_ALI 0 0.0000 -1.1310 2.6040 5.3280 70 77 78 79 0 77 H391 H_ALI 0 0.0000 -0.1100 2.4150 5.6590 76 0 0 0 80 78 H392 H_ALI 0 0.0000 -1.1200 2.9490 4.2940 76 0 0 0 80 79 H393 H_ALI 0 0.0000 -1.5830 3.3680 5.9610 76 0 0 0 80 80 Q11 PSEUD 0 0.0000 -0.9377 2.9107 5.3047 0 0 0 0 0 81 HNM H_AMI 0 0.0000 -1.7050 -0.9420 2.1630 62 0 0 0 0 82 H20 H_ALI 0 0.0000 -0.0160 1.1000 0.9050 61 0 0 0 0 83 C23 C_ALI 0 0.0000 1.0860 -0.7320 1.1640 61 84 85 87 0 84 H231 H_ALI 0 0.0000 0.8760 -1.7970 1.2530 83 0 0 0 86 85 H232 H_ALI 0 0.0000 1.7230 -0.5580 0.2960 83 0 0 0 86 86 Q12 PSEUD 0 0.0000 1.2995 -1.1775 0.7745 0 0 0 0 0 87 S74 S_RED 0 0.0000 1.9330 -0.1560 2.6610 83 88 0 0 0 88 C77 C_ARO 0 0.0000 3.3690 -1.1760 2.6120 87 89 97 0 0 89 C78 C_ARO 0 0.0000 4.3340 -1.0680 3.6060 88 90 96 0 0 90 C79 C_ARO 0 0.0000 5.4580 -1.8690 3.5640 89 91 95 0 0 91 C80 C_ARO 0 0.0000 5.6240 -2.7770 2.5340 90 92 94 0 0 92 C81 C_ARO 0 0.0000 4.6660 -2.8860 1.5420 91 93 97 0 0 93 H81 H_ALI 0 0.0000 4.8000 -3.5960 0.7390 92 0 0 0 100 94 H80 H_ALI 0 0.0000 6.5050 -3.4020 2.5030 91 0 0 0 0 95 H79 H_ALI 0 0.0000 6.2090 -1.7860 4.3360 90 0 0 0 100 96 H78 H_ALI 0 0.0000 4.2050 -0.3590 4.4100 89 0 0 0 99 97 C82 C_ARO 0 0.0000 3.5370 -2.0930 1.5810 88 92 98 0 0 98 H82 H_ALI 0 0.0000 2.7890 -2.1790 0.8070 97 0 0 0 99 99 Q13 PSEUD 0 0.0000 3.4970 -1.2690 2.6085 0 0 0 0 101 100 Q14 PSEUD 0 0.0000 5.5045 -2.6910 2.5375 0 0 0 0 101 101 QQB PSEUD 0 0.0000 4.5008 -1.9800 2.5730 0 0 0 0 0