REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID" RESIDUE A2CS 16 89 1 89 1 PHI1 0 0 0.0000 2 1 6 17 0 2 CHI1 0 0 0.0000 1 6 7 8 10 3 CHI2 0 0 0.0000 6 7 9 10 10 4 CHI3 0 0 0.0000 1 6 11 12 15 5 PHI2 0 0 0.0000 1 6 17 21 0 6 PHI3 0 0 0.0000 6 17 21 71 0 7 CHI4 0 0 0.0000 24 25 30 31 50 8 CHI5 0 0 0.0000 25 30 31 32 50 9 CHI6 0 0 0.0000 30 31 32 33 47 10 CHI7 0 0 0.0000 21 22 53 54 69 11 CHI8 0 0 0.0000 22 53 54 55 69 12 CHI9 0 0 0.0000 53 54 55 56 59 13 CHI10 0 0 0.0000 53 54 60 61 64 14 CHI11 0 0 0.0000 53 54 65 66 69 15 PHI4 0 0 0.0000 21 71 72 76 0 16 PHI5 0 0 0.0000 71 72 76 81 0 1 C1 C_ALI 0 0.0000 -5.1020 -0.9200 -1.0060 2 3 4 6 0 2 H11 H_ALI 0 0.0000 -5.5380 -1.3480 -0.1030 1 0 0 0 5 3 H12A H_ALI 0 0.0000 -5.6580 -1.2670 -1.8770 1 0 0 0 5 4 H13A H_ALI 0 0.0000 -4.0620 -1.2330 -1.0910 1 0 0 0 5 5 Q1 PSEUD 0 0.0000 -5.0860 -1.2827 -1.0237 0 0 0 0 16 6 C2 C_ALI 0 0.0000 -5.1710 0.6070 -0.9320 1 7 11 17 0 7 C3 C_BYL 0 0.0000 -6.6090 1.0490 -1.0030 6 8 9 0 0 8 O4 O_BYL 0 0.0000 -7.0930 1.6790 -0.0920 7 0 0 0 0 9 O5 O_HYD 0 0.0000 -7.3530 0.7430 -2.0770 7 10 0 0 0 10 HO5 H_OXY 0 0.0000 -8.2710 1.0480 -2.0770 9 0 0 0 0 11 C6 C_ALI 0 0.0000 -4.3930 1.2100 -2.1030 6 12 13 14 0 12 H61 H_ALI 0 0.0000 -4.8310 0.8720 -3.0430 11 0 0 0 15 13 H62 H_ALI 0 0.0000 -4.4420 2.2970 -2.0500 11 0 0 0 15 14 H63 H_ALI 0 0.0000 -3.3520 0.8900 -2.0520 11 0 0 0 15 15 Q2 PSEUD 0 0.0000 -4.2083 1.3530 -2.3817 0 0 0 0 0 16 QQA PSEUD 0 0.0000 -3.7882 2.4100 -0.2440 0 0 0 0 0 17 C7 C_ALI 0 0.0000 -4.5560 1.0810 0.3860 6 18 19 21 0 18 H71 H_ALI 0 0.0000 -4.7100 2.1550 0.4930 17 0 0 0 20 19 H72 H_ALI 0 0.0000 -5.0320 0.5610 1.2180 17 0 0 0 20 20 Q3 PSEUD 0 0.0000 -4.8710 1.3580 0.8555 0 0 0 0 0 21 C8 C_ARO 0 0.0000 -3.0780 0.7830 0.3870 17 22 71 0 0 22 C36 C_ARO 0 0.0000 -2.1140 1.6420 0.0070 21 23 53 0 0 23 C21 C_ARO 0 0.0000 -0.8320 0.9460 0.1660 22 24 52 0 0 24 C22 C_ARO 0 0.0000 0.4980 1.3060 -0.0610 23 25 51 0 0 25 C23 C_ARO 0 0.0000 1.5040 0.3960 0.1950 24 26 30 0 0 26 C20 C_ARO 0 0.0000 1.1960 -0.8740 0.6780 25 27 29 0 0 27 C19 C_ARO 0 0.0000 -0.1110 -1.2360 0.9130 26 28 52 0 0 28 H19 H_ALI 0 0.0000 -0.3390 -2.2240 1.2870 27 0 0 0 0 29 H20 H_ALI 0 0.0000 1.9910 -1.5770 0.8790 26 0 0 0 0 30 O24 O_EST 0 0.0000 2.8010 0.7410 -0.0240 25 31 0 0 0 31 C25 C_ALI 0 0.0000 3.7930 -0.2480 0.2630 30 32 48 49 0 32 C26 C_ARO 0 0.0000 5.1600 0.3100 -0.0390 31 33 37 0 0 33 C27 C_ARO 0 0.0000 5.2700 1.6130 -0.5190 32 34 36 0 0 34 C28 C_ARO 0 0.0000 6.5010 2.1360 -0.7970 33 35 45 0 0 35 H28 H_ALI 0 0.0000 6.6040 3.1440 -1.1710 34 0 0 0 0 36 H27 H_ALI 0 0.0000 4.3830 2.2120 -0.6670 33 0 0 0 0 37 N35 N_AMO 0 0.0000 6.2140 -0.4440 0.1580 32 38 0 0 0 38 C30 C_ARO 0 0.0000 7.4470 0.0070 -0.0940 37 39 45 0 0 39 C31 C_ARO 0 0.0000 8.5740 -0.8060 0.1190 38 40 44 0 0 40 C32 C_ARO 0 0.0000 9.8180 -0.3200 -0.1470 39 41 43 0 0 41 C33 C_ARO 0 0.0000 9.9950 0.9750 -0.6290 40 42 46 0 0 42 H33 H_ALI 0 0.0000 10.9930 1.3360 -0.8320 41 0 0 0 0 43 H32 H_ALI 0 0.0000 10.6800 -0.9480 0.0190 40 0 0 0 0 44 H31 H_ALI 0 0.0000 8.4540 -1.8120 0.4930 39 0 0 0 0 45 C29 C_ARO 0 0.0000 7.6310 1.3230 -0.5840 34 38 46 0 0 46 C34 C_ARO 0 0.0000 8.9280 1.7910 -0.8480 41 45 47 0 0 47 H34 H_ALI 0 0.0000 9.0780 2.7940 -1.2220 46 0 0 0 0 48 H251 H_ALI 0 0.0000 3.6160 -1.1290 -0.3540 31 0 0 0 50 49 H252 H_ALI 0 0.0000 3.7370 -0.5240 1.3160 31 0 0 0 50 50 Q4 PSEUD 0 0.0000 3.6765 -0.8265 0.4810 0 0 0 0 0 51 H22 H_ALI 0 0.0000 0.7390 2.2900 -0.4350 24 0 0 0 0 52 C18 C_ARO 0 0.0000 -1.1400 -0.3350 0.6560 23 27 71 0 0 53 S37 S_RED 0 0.0000 -2.3480 3.2900 -0.5740 22 54 0 0 0 54 C38 C_ALI 0 0.0000 -2.1280 4.2860 0.9260 53 55 60 65 0 55 C41 C_ALI 0 0.0000 -2.4210 5.7540 0.6100 54 56 57 58 0 56 H411 H_ALI 0 0.0000 -3.4470 5.8520 0.2560 55 0 0 0 59 57 H412 H_ALI 0 0.0000 -2.2890 6.3530 1.5120 55 0 0 0 59 58 H413 H_ALI 0 0.0000 -1.7350 6.1030 -0.1610 55 0 0 0 59 59 Q5 PSEUD 0 0.0000 -2.4903 6.1027 0.5357 0 0 0 0 16 60 C39 C_ALI 0 0.0000 -3.0910 3.7950 2.0090 54 61 62 63 70 61 H391 H_ALI 0 0.0000 -2.8250 2.7780 2.2980 60 0 0 0 64 62 H392 H_ALI 0 0.0000 -3.0230 4.4490 2.8790 60 0 0 0 64 63 H393 H_ALI 0 0.0000 -4.1100 3.8090 1.6230 60 0 0 0 64 64 Q6 PSEUD 0 0.0000 -3.3193 3.6787 2.2667 0 0 0 0 0 65 C40 C_ALI 0 0.0000 -0.6880 4.1480 1.4230 54 66 67 68 70 66 H401 H_ALI 0 0.0000 -0.0020 4.4980 0.6520 65 0 0 0 69 67 H402 H_ALI 0 0.0000 -0.5560 4.7470 2.3250 65 0 0 0 69 68 H403 H_ALI 0 0.0000 -0.4790 3.1020 1.6480 65 0 0 0 69 69 Q7 PSEUD 0 0.0000 -0.3457 4.1157 1.5417 0 0 0 0 0 70 QQB PSEUD 0 0.0000 -0.3885 3.5188 1.1440 0 0 0 0 70 71 N9 N_AMI 0 0.0000 -2.5110 -0.4060 0.7840 21 52 72 0 0 72 C10 C_ALI 0 0.0000 -3.2520 -1.5730 1.2680 71 73 74 76 0 73 H101 H_ALI 0 0.0000 -4.2570 -1.5660 0.8450 72 0 0 0 75 74 H102 H_ALI 0 0.0000 -3.3150 -1.5380 2.3550 72 0 0 0 75 75 Q8 PSEUD 0 0.0000 -3.7860 -1.5520 1.6000 0 0 0 0 0 76 C11 C_ARO 0 0.0000 -2.5390 -2.8320 0.8460 72 77 81 0 0 77 C14 C_ARO 0 0.0000 -2.4100 -3.1360 -0.4960 76 78 80 0 0 78 C15 C_ARO 0 0.0000 -1.7560 -4.2910 -0.8830 77 79 85 0 0 79 H15 H_ALI 0 0.0000 -1.6560 -4.5290 -1.9320 78 0 0 0 87 80 H14 H_ALI 0 0.0000 -2.8200 -2.4720 -1.2420 77 0 0 0 86 81 C12 C_ARO 0 0.0000 -2.0190 -3.6850 1.8020 76 82 83 0 0 82 H12 H_ALI 0 0.0000 -2.1230 -3.4480 2.8510 81 0 0 0 86 83 C13 C_ARO 0 0.0000 -1.3650 -4.8390 1.4160 81 84 85 0 0 84 H13 H_ALI 0 0.0000 -0.9580 -5.5050 2.1630 83 0 0 0 87 85 C16 C_ARO 0 0.0000 -1.2310 -5.1420 0.0720 78 83 89 0 0 86 Q9 PSEUD 0 0.0000 -2.4715 -2.9600 0.8045 0 0 0 0 88 87 Q10 PSEUD 0 0.0000 -1.3070 -5.0170 0.1155 0 0 0 0 88 88 QQC PSEUD 0 0.0000 -1.8893 -3.9885 0.4600 0 0 0 0 0 89 CL17 C_XXX 0 0.0000 -0.4090 -6.5920 -0.4130 85 0 0 0 0