REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol RESIDUE YR3 16 88 1 88 1 CHI1 0 0 0.0000 2 3 12 13 70 2 CHI2 0 0 0.0000 14 15 16 17 20 3 CHI3 0 0 0.0000 15 24 25 26 50 4 CHI4 0 0 0.0000 24 25 26 27 50 5 CHI5 0 0 0.0000 25 26 27 28 47 6 CHI6 0 0 0.0000 26 27 28 29 29 7 CHI7 0 0 0.0000 26 27 30 31 45 8 CHI8 0 0 0.0000 27 30 31 32 35 9 CHI9 0 0 0.0000 27 30 36 37 40 10 CHI10 0 0 0.0000 27 30 41 42 45 11 CHI11 0 0 0.0000 3 12 53 54 61 12 CHI12 0 0 0.0000 12 53 54 55 58 13 CHI13 0 0 0.0000 3 12 62 63 70 14 PHI1 0 0 0.0000 74 75 79 83 0 15 PHI2 0 0 0.0000 75 79 83 87 0 16 PHI3 0 0 0.0000 79 83 87 88 0 1 C1 C_ARO 0 0.0000 -2.8110 -0.2510 0.1750 2 72 73 0 0 2 C6 C_ARO 0 0.0000 -1.6570 0.5080 0.1420 1 3 71 0 0 3 C5 C_ARO 0 0.0000 -1.7350 1.8880 0.1830 2 4 12 0 0 4 C4 C_ARO 0 0.0000 -2.9660 2.5120 0.2580 3 5 11 0 0 5 C3 C_ARO 0 0.0000 -4.1230 1.7570 0.2920 4 6 73 0 0 6 C19 C_ALI 0 0.0000 -5.4650 2.4380 0.3730 5 7 8 9 0 7 H19 H_ALI 0 0.0000 -5.7410 2.5740 1.4190 6 0 0 0 10 8 H19A H_ALI 0 0.0000 -5.4100 3.4100 -0.1170 6 0 0 0 10 9 H19B H_ALI 0 0.0000 -6.2150 1.8220 -0.1230 6 0 0 0 10 10 Q1 PSEUD 0 0.0000 -5.7887 2.6020 0.3930 0 0 0 0 0 11 H4 H_ALI 0 0.0000 -3.0240 3.5900 0.2900 4 0 0 0 0 12 C7 C_ALI 0 0.0000 -0.4740 2.7140 0.1450 3 13 53 62 0 13 C8 C_ARO 0 0.0000 0.7050 1.8170 -0.1310 12 14 22 0 0 14 C13 C_ARO 0 0.0000 0.7100 1.0070 -1.2510 13 15 21 0 0 15 C14 C_ARO 0 0.0000 1.7900 0.1840 -1.5050 14 16 24 0 0 16 C18 C_ALI 0 0.0000 1.7940 -0.6990 -2.7260 15 17 18 19 0 17 H18 H_ALI 0 0.0000 2.2390 -0.1610 -3.5630 16 0 0 0 20 18 H18A H_ALI 0 0.0000 2.3750 -1.5990 -2.5220 16 0 0 0 20 19 H18B H_ALI 0 0.0000 0.7700 -0.9770 -2.9770 16 0 0 0 20 20 Q2 PSEUD 0 0.0000 1.7947 -0.9123 -3.0207 0 0 0 0 0 21 H13 H_ALI 0 0.0000 -0.1320 1.0180 -1.9280 14 0 0 0 0 22 C17 C_ARO 0 0.0000 1.7840 1.8110 0.7350 13 23 52 0 0 23 C16 C_ARO 0 0.0000 2.8640 0.9860 0.4870 22 24 51 0 0 24 C15 C_ARO 0 0.0000 2.8710 0.1720 -0.6360 15 23 25 0 0 25 O20 O_EST 0 0.0000 3.9350 -0.6370 -0.8840 24 26 0 0 0 26 C21 C_ALI 0 0.0000 5.0120 -0.5980 0.0540 25 27 48 49 0 27 C22 C_ALI 0 0.0000 6.1100 -1.5670 -0.3900 26 28 30 47 0 28 O33 O_HYD 0 0.0000 5.6120 -2.9050 -0.3390 27 29 0 0 0 29 HO33 H_OXY 0 0.0000 5.3240 -3.1850 0.5400 28 0 0 0 0 30 C23 C_ALI 0 0.0000 7.3150 -1.4350 0.5440 27 31 36 41 0 31 C26 C_ALI 0 0.0000 8.4120 -2.4040 0.1000 30 32 33 34 0 32 H26 H_ALI 0 0.0000 8.7150 -2.1670 -0.9200 31 0 0 0 35 33 H26A H_ALI 0 0.0000 9.2710 -2.3090 0.7650 31 0 0 0 35 34 H26B H_ALI 0 0.0000 8.0330 -3.4250 0.1390 31 0 0 0 35 35 Q3 PSEUD 0 0.0000 8.6730 -2.6337 -0.0053 0 0 0 0 46 36 C25 C_ALI 0 0.0000 7.8470 -0.0010 0.4890 30 37 38 39 0 37 H25 H_ALI 0 0.0000 7.0650 0.6890 0.8050 36 0 0 0 40 38 H25A H_ALI 0 0.0000 8.7050 0.0930 1.1550 36 0 0 0 40 39 H25B H_ALI 0 0.0000 8.1500 0.2350 -0.5300 36 0 0 0 40 40 Q4 PSEUD 0 0.0000 7.9733 0.3390 0.4767 0 0 0 0 46 41 C24 C_ALI 0 0.0000 6.8890 -1.7670 1.9750 30 42 43 44 0 42 H24 H_ALI 0 0.0000 6.5100 -2.7880 2.0140 41 0 0 0 45 43 H24A H_ALI 0 0.0000 7.7470 -1.6730 2.6410 41 0 0 0 45 44 H24B H_ALI 0 0.0000 6.1070 -1.0760 2.2910 41 0 0 0 45 45 Q5 PSEUD 0 0.0000 6.7880 -1.8457 2.3153 0 0 0 0 46 46 QQA PSEUD 0 0.0000 7.8114 -1.3801 0.9289 0 0 0 0 0 47 H22 H_ALI 0 0.0000 6.4130 -1.3300 -1.4100 27 0 0 0 0 48 H21 H_ALI 0 0.0000 4.6470 -0.8890 1.0390 26 0 0 0 50 49 H21A H_ALI 0 0.0000 5.4170 0.4130 0.1000 26 0 0 0 50 50 Q6 PSEUD 0 0.0000 5.0320 -0.2380 0.5695 0 0 0 0 0 51 H16 H_ALI 0 0.0000 3.7040 0.9780 1.1660 23 0 0 0 0 52 H17 H_ALI 0 0.0000 1.7800 2.4480 1.6070 22 0 0 0 0 53 C9 C_ALI 0 0.0000 -0.5860 3.7640 -0.9620 12 54 59 60 0 54 C12 C_ALI 0 0.0000 -0.9160 3.0760 -2.2880 53 55 56 57 0 55 H12 H_ALI 0 0.0000 -1.0990 3.8300 -3.0530 54 0 0 0 58 56 H12A H_ALI 0 0.0000 -0.0770 2.4480 -2.5890 54 0 0 0 58 57 H12B H_ALI 0 0.0000 -1.8060 2.4590 -2.1650 54 0 0 0 58 58 Q7 PSEUD 0 0.0000 -0.9940 2.9123 -2.6023 0 0 0 0 0 59 H9 H_ALI 0 0.0000 -1.3770 4.4710 -0.7130 53 0 0 0 61 60 H9A H_ALI 0 0.0000 0.3610 4.2970 -1.0540 53 0 0 0 61 61 Q8 PSEUD 0 0.0000 -0.5080 4.3840 -0.8835 0 0 0 0 0 62 C10 C_ALI 0 0.0000 -0.2810 3.4110 1.4930 12 63 68 69 0 63 C11 C_ALI 0 0.0000 -0.3290 2.3730 2.6160 62 64 65 66 0 64 H11 H_ALI 0 0.0000 -1.2620 1.8130 2.5540 63 0 0 0 67 65 H11A H_ALI 0 0.0000 0.5130 1.6890 2.5130 63 0 0 0 67 66 H11B H_ALI 0 0.0000 -0.2710 2.8780 3.5800 63 0 0 0 67 67 Q9 PSEUD 0 0.0000 -0.3400 2.1267 2.8823 0 0 0 0 0 68 H10 H_ALI 0 0.0000 0.6850 3.9160 1.5050 62 0 0 0 70 69 H10A H_ALI 0 0.0000 -1.0760 4.1430 1.6400 62 0 0 0 70 70 Q10 PSEUD 0 0.0000 -0.1955 4.0295 1.5725 0 0 0 0 0 71 H6 H_ALI 0 0.0000 -0.6940 0.0240 0.0830 2 0 0 0 0 72 H1 H_ALI 0 0.0000 -2.7500 -1.3290 0.1470 1 0 0 0 0 73 C2 C_ARO 0 0.0000 -4.0480 0.3730 0.2500 1 5 74 0 0 74 O27 O_EST 0 0.0000 -5.1840 -0.3720 0.2830 73 75 0 0 0 75 C28 C_ALI 0 0.0000 -5.0310 -1.7920 0.2370 74 76 77 79 0 76 H28 H_ALI 0 0.0000 -4.5240 -2.0730 -0.6860 75 0 0 0 78 77 H28A H_ALI 0 0.0000 -4.4400 -2.1220 1.0910 75 0 0 0 78 78 Q11 PSEUD 0 0.0000 -4.4820 -2.0975 0.2025 0 0 0 0 0 79 C29 C_ALI 0 0.0000 -6.4090 -2.4550 0.2830 75 80 82 83 0 80 O32 O_HYD 0 0.0000 -7.1410 -2.1150 -0.8960 79 81 0 0 0 81 HO32 H_OXY 0 0.0000 -6.7160 -2.3970 -1.7180 80 0 0 0 0 82 H29 H_ALI 0 0.0000 -6.9520 -2.1050 1.1610 79 0 0 0 0 83 C30 C_ALI 0 0.0000 -6.2420 -3.9740 0.3590 79 84 85 87 0 84 H30 H_ALI 0 0.0000 -5.7790 -4.3350 -0.5590 83 0 0 0 86 85 H30A H_ALI 0 0.0000 -5.6080 -4.2280 1.2090 83 0 0 0 86 86 Q12 PSEUD 0 0.0000 -5.6935 -4.2815 0.3250 0 0 0 0 0 87 O31 O_HYD 0 0.0000 -7.5230 -4.5870 0.5190 83 88 0 0 0 88 HO31 H_OXY 0 0.0000 -7.4920 -5.5520 0.5750 87 0 0 0 0