REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN RESIDUE A858 52 168 1 168 1 CHI1 0 0 0.0000 102 1 2 3 101 2 CHI2 0 0 0.0000 1 2 3 4 10 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 1 2 11 12 100 5 CHI5 0 0 0.0000 2 11 12 13 19 6 CHI6 0 0 0.0000 11 12 13 14 16 7 CHI7 0 0 0.0000 2 11 20 21 100 8 CHI8 0 0 0.0000 11 20 21 22 99 9 CHI9 0 0 0.0000 20 21 22 23 98 10 CHI10 0 0 0.0000 21 22 23 24 33 11 CHI11 0 0 0.0000 22 23 24 25 27 12 CHI12 0 0 0.0000 22 23 28 29 32 13 CHI13 0 0 0.0000 21 22 34 35 96 14 CHI14 0 0 0.0000 22 34 35 36 96 15 CHI15 0 0 0.0000 34 35 36 37 43 16 CHI16 0 0 0.0000 35 36 37 38 42 17 CHI17 0 0 0.0000 36 37 38 39 42 18 CHI18 0 0 0.0000 34 35 44 45 95 19 CHI19 0 0 0.0000 35 44 45 46 88 20 CHI20 0 0 0.0000 44 45 46 47 85 21 CHI21 0 0 0.0000 45 46 47 48 79 22 CHI22 0 0 0.0000 46 47 48 49 76 23 CHI23 0 0 0.0000 48 49 50 51 70 24 CHI24 0 0 0.0000 49 50 51 52 60 25 CHI25 0 0 0.0000 50 51 52 53 59 26 CHI26 0 0 0.0000 51 52 53 54 56 27 CHI27 0 0 0.0000 52 53 54 55 55 28 CHI28 0 0 0.0000 49 50 61 62 69 29 CHI29 0 0 0.0000 50 61 62 63 66 30 CHI30 0 0 0.0000 47 48 72 73 76 31 CHI31 0 0 0.0000 45 46 80 81 84 32 CHI32 0 0 0.0000 35 44 89 90 94 33 CHI33 0 0 0.0000 44 89 90 91 94 34 CHI34 0 0 0.0000 21 22 97 98 98 35 PHI1 0 0 0.0000 2 1 103 104 0 36 PHI2 0 0 0.0000 1 103 104 113 0 37 CHI35 0 0 0.0000 103 104 105 106 111 38 CHI36 0 0 0.0000 104 105 106 107 110 39 PHI3 0 0 0.0000 103 104 113 119 0 40 CHI37 0 0 0.0000 104 113 114 115 118 41 PHI4 0 0 0.0000 113 119 121 131 0 42 CHI38 0 0 0.0000 119 121 122 123 129 43 CHI39 0 0 0.0000 121 122 123 124 126 44 PHI5 0 0 0.0000 119 121 131 135 0 45 PHI6 0 0 0.0000 121 131 135 143 0 46 CHI40 0 0 0.0000 131 135 136 137 141 47 CHI41 0 0 0.0000 135 136 137 138 141 48 PHI7 0 0 0.0000 131 135 143 145 0 49 PHI8 0 0 0.0000 135 143 145 146 0 50 CHI42 0 0 0.0000 143 145 146 147 168 51 CHI43 0 0 0.0000 153 154 155 156 163 52 CHI44 0 0 0.0000 154 155 156 157 160 1 C1 C_BYL 0 0.0000 2.3240 -0.6050 1.0220 2 102 103 0 0 2 C2 C_ALI 0 0.0000 3.5000 0.1940 1.5110 1 3 11 101 0 3 C3 C_ALI 0 0.0000 4.8040 -0.4660 1.0350 2 4 8 9 0 4 C4 C_ALI 0 0.0000 5.9910 0.3620 1.5330 3 5 6 13 0 5 H41 H_ALI 0 0.0000 5.9320 1.3670 1.1180 4 0 0 0 7 6 H42 H_ALI 0 0.0000 6.9180 -0.1050 1.2060 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 6.4250 0.6310 1.1620 0 0 0 0 0 8 H31A H_ALI 0 0.0000 4.8170 -0.5080 -0.0510 3 0 0 0 10 9 H32A H_ALI 0 0.0000 4.8710 -1.4750 1.4420 3 0 0 0 10 10 Q2 PSEUD 0 0.0000 4.8440 -0.9915 0.6955 0 0 0 0 0 11 N7 N_AMO 0 0.0000 3.5430 0.3320 2.9680 2 12 20 0 0 12 C6 C_ALI 0 0.0000 4.6710 1.1070 3.5320 11 13 17 18 0 13 C5 C_ALI 0 0.0000 5.9720 0.4370 3.0590 4 12 14 15 0 14 H51 H_ALI 0 0.0000 6.8280 1.0240 3.4050 13 0 0 0 16 15 H52 H_ALI 0 0.0000 6.0340 -0.5690 3.4730 13 0 0 0 16 16 Q3 PSEUD 0 0.0000 6.4310 0.2275 3.4390 0 0 0 0 0 17 H61 H_ALI 0 0.0000 4.6340 2.1320 3.1700 12 0 0 0 19 18 H62A H_ALI 0 0.0000 4.6370 1.0890 4.6190 12 0 0 0 19 19 Q4 PSEUD 0 0.0000 4.6355 1.6105 3.8945 0 0 0 0 0 20 C8 C_BYL 0 0.0000 2.6100 -0.1850 3.7870 11 21 100 0 0 21 C9 C_BYL 0 0.0000 2.4550 0.3290 5.1720 20 22 99 0 0 22 C10 C_ALI 0 0.0000 1.8670 -0.5280 6.2720 21 23 34 97 0 23 C11 C_ALI 0 0.0000 2.5320 -0.1280 7.5870 22 24 28 33 0 24 C12 C_ALI 0 0.0000 1.5720 0.7480 8.4010 23 25 26 36 0 25 H121 H_ALI 0 0.0000 2.0480 1.0790 9.3360 24 0 0 0 27 26 H122 H_ALI 0 0.0000 1.2670 1.6340 7.8350 24 0 0 0 27 27 Q5 PSEUD 0 0.0000 1.6575 1.3565 8.5855 0 0 0 0 0 28 C35 C_ALI 0 0.0000 3.0490 -1.3420 8.3470 23 29 30 31 0 29 H351 H_ALI 0 0.0000 3.5150 -1.0170 9.2770 28 0 0 0 32 30 H352 H_ALI 0 0.0000 2.2180 -2.0110 8.5710 28 0 0 0 32 31 H353 H_ALI 0 0.0000 3.7830 -1.8670 7.7360 28 0 0 0 32 32 Q6 PSEUD 0 0.0000 3.1720 -1.6317 8.5280 0 0 0 0 0 33 H11 H_ALI 0 0.0000 3.4190 0.4950 7.3350 23 0 0 0 0 34 O5 O_EST 0 0.0000 0.4900 -0.4530 6.2610 22 35 0 0 0 35 C14 C_ALI 0 0.0000 -0.2540 -0.6410 7.4030 34 36 44 96 0 36 C13 C_ALI 0 0.0000 0.3650 -0.1530 8.7070 24 35 37 43 0 37 O7 O_EST 0 0.0000 0.6560 -1.2290 9.5920 36 38 0 0 0 38 C43 C_ALI 0 0.0000 0.4180 -0.7490 10.9170 37 39 40 41 0 39 H431 H_ALI 0 0.0000 0.6280 -1.5430 11.6340 38 0 0 0 42 40 H432 H_ALI 0 0.0000 1.0680 0.1020 11.1170 38 0 0 0 42 41 H433 H_ALI 0 0.0000 -0.6220 -0.4410 11.0110 38 0 0 0 42 42 Q7 PSEUD 0 0.0000 0.3580 -0.6273 11.2540 0 0 0 0 0 43 H13 H_ALI 0 0.0000 -0.3970 0.4750 9.2200 36 0 0 0 0 44 C15 C_ALI 0 0.0000 -1.6460 0.0080 7.2510 35 45 89 95 0 45 C16 C_ALI 0 0.0000 -2.3550 -0.6560 6.0700 44 46 86 87 0 46 C17 C_ALI 0 0.0000 -3.5190 0.2100 5.5800 45 47 80 85 0 47 C18 C_ALI 0 0.0000 -4.6060 -0.6920 5.0100 46 48 77 78 0 48 C19 C_BYL 0 0.0000 -5.2540 -0.1350 3.7640 47 49 72 0 0 49 C20 C_BYL 0 0.0000 -4.6340 -0.2570 2.6230 48 50 71 0 0 50 C21 C_ALI 0 0.0000 -5.1170 0.2410 1.2960 49 51 61 70 0 51 C22 C_BYL 0 0.0000 -4.0480 -0.0310 0.2580 50 52 60 0 0 52 C23 C_ALI 0 0.0000 -3.5100 -1.4160 0.0520 51 53 57 58 0 53 C24 C_ALI 0 0.0000 -2.1130 -1.3640 -0.5590 52 54 56 105 0 54 O10 O_HYD 0 0.0000 -1.6550 -2.6930 -0.8040 53 55 0 0 0 55 HO10 H_OXY 0 0.0000 -2.3080 -3.1120 -1.3810 54 0 0 0 0 56 H24 H_ALI 0 0.0000 -2.1880 -0.8400 -1.5220 53 0 0 0 0 57 H231 H_ALI 0 0.0000 -4.1800 -1.9360 -0.6580 52 0 0 0 59 58 H232 H_ALI 0 0.0000 -3.5170 -1.9710 0.9820 52 0 0 0 59 59 Q8 PSEUD 0 0.0000 -3.8485 -1.9535 0.1620 0 0 0 0 0 60 O9 O_BYL 0 0.0000 -3.6260 0.8900 -0.4090 51 0 0 0 0 61 C38 C_ALI 0 0.0000 -5.3580 1.7490 1.3140 50 62 67 68 0 62 C39 C_ALI 0 0.0000 -6.0170 2.1760 0.0010 61 63 64 65 0 63 H391 H_ALI 0 0.0000 -6.2740 3.2340 0.0510 62 0 0 0 66 64 H392 H_ALI 0 0.0000 -5.3250 2.0090 -0.8230 62 0 0 0 66 65 H393 H_ALI 0 0.0000 -6.9220 1.5900 -0.1570 62 0 0 0 66 66 Q9 PSEUD 0 0.0000 -6.1737 2.2777 -0.3097 0 0 0 0 0 67 H381 H_ALI 0 0.0000 -4.4060 2.2680 1.4290 61 0 0 0 69 68 H382 H_ALI 0 0.0000 -6.0120 2.0030 2.1490 61 0 0 0 69 69 Q10 PSEUD 0 0.0000 -5.2090 2.1355 1.7890 0 0 0 0 0 70 H21 H_ALI 0 0.0000 -6.0260 -0.2770 1.0110 50 0 0 0 0 71 H20 H_ALI 0 0.0000 -3.6930 -0.8220 2.6450 49 0 0 0 0 72 C37 C_ALI 0 0.0000 -6.6110 0.5130 3.8920 48 73 74 75 0 73 H371 H_ALI 0 0.0000 -6.9950 0.7520 2.9010 72 0 0 0 76 74 H372 H_ALI 0 0.0000 -7.2960 -0.1720 4.3910 72 0 0 0 76 75 H373 H_ALI 0 0.0000 -6.5220 1.4280 4.4780 72 0 0 0 76 76 Q11 PSEUD 0 0.0000 -6.9377 0.6693 3.9233 0 0 0 0 0 77 H18 H_ALI 0 0.0000 -5.3850 -0.8380 5.7660 47 0 0 0 79 78 H182 H_ALI 0 0.0000 -4.1800 -1.6690 4.7610 47 0 0 0 79 79 Q12 PSEUD 0 0.0000 -4.7825 -1.2535 5.2635 0 0 0 0 0 80 C36 C_ALI 0 0.0000 -3.0040 1.1990 4.5360 46 81 82 83 0 81 H361 H_ALI 0 0.0000 -3.8270 1.8260 4.1930 80 0 0 0 84 82 H362 H_ALI 0 0.0000 -2.2310 1.8260 4.9800 80 0 0 0 84 83 H363 H_ALI 0 0.0000 -2.5880 0.6520 3.6910 80 0 0 0 84 84 Q13 PSEUD 0 0.0000 -2.8820 1.4347 4.2880 0 0 0 0 0 85 H17 H_ALI 0 0.0000 -3.9180 0.7690 6.4310 46 0 0 0 0 86 H161 H_ALI 0 0.0000 -2.7290 -1.6310 6.3790 45 0 0 0 88 87 H162 H_ALI 0 0.0000 -1.6370 -0.7930 5.2570 45 0 0 0 88 88 Q14 PSEUD 0 0.0000 -2.1830 -1.2120 5.8180 0 0 0 0 0 89 O8 O_EST 0 0.0000 -1.4810 1.4070 7.0240 44 90 0 0 0 90 C44 C_ALI 0 0.0000 -2.2620 2.0810 8.0130 89 91 92 93 0 91 H441 H_ALI 0 0.0000 -2.2390 3.1540 7.8250 90 0 0 0 94 92 H442 H_ALI 0 0.0000 -3.2920 1.7260 7.9660 90 0 0 0 94 93 H443 H_ALI 0 0.0000 -1.8520 1.8760 9.0020 90 0 0 0 94 94 Q15 PSEUD 0 0.0000 -2.4610 2.2520 8.2643 0 0 0 0 0 95 H15 H_ALI 0 0.0000 -2.2120 -0.1500 8.1670 44 0 0 0 0 96 H14 H_ALI 0 0.0000 -0.4480 -1.7300 7.5320 35 0 0 0 0 97 O6 O_HYD 0 0.0000 2.2690 -1.8920 6.0010 22 98 0 0 0 98 HO6 H_OXY 0 0.0000 1.9180 -2.1200 5.1290 97 0 0 0 0 99 O4 O_BYL 0 0.0000 2.7650 1.4700 5.4280 21 0 0 0 0 100 O3 O_BYL 0 0.0000 1.9380 -1.1320 3.4160 20 0 0 0 0 101 H2 H_ALI 0 0.0000 3.4440 1.1950 1.0620 2 0 0 0 0 102 O2 O_BYL 0 0.0000 2.3950 -1.8130 0.9690 1 0 0 0 0 103 O1 O_EST 0 0.0000 1.2010 0.0210 0.6400 1 104 0 0 0 104 C26 C_ALI 0 0.0000 0.2590 -0.5780 -0.2820 103 105 112 113 0 105 C25 C_ALI 0 0.0000 -1.1310 -0.6340 0.3470 53 104 106 111 0 106 C41 C_ALI 0 0.0000 -1.0290 -1.3580 1.6950 105 107 108 109 0 107 H411 H_ALI 0 0.0000 -2.0140 -1.4070 2.1580 106 0 0 0 110 108 H412 H_ALI 0 0.0000 -0.6510 -2.3680 1.5370 106 0 0 0 110 109 H413 H_ALI 0 0.0000 -0.3470 -0.8140 2.3490 106 0 0 0 110 110 Q16 PSEUD 0 0.0000 -1.0040 -1.5297 2.0147 0 0 0 0 0 111 H25 H_ALI 0 0.0000 -1.4820 0.3870 0.5240 105 0 0 0 0 112 H26 H_ALI 0 0.0000 0.5870 -1.5820 -0.5360 104 0 0 0 0 113 C27 C_BYL 0 0.0000 0.2290 0.2640 -1.5320 104 114 119 0 0 114 C42 C_ALI 0 0.0000 -0.1750 1.7140 -1.4540 113 115 116 117 0 115 H421 H_ALI 0 0.0000 -0.2340 2.1290 -2.4600 114 0 0 0 118 116 H422 H_ALI 0 0.0000 -1.1480 1.7930 -0.9700 114 0 0 0 118 117 H423 H_ALI 0 0.0000 0.5640 2.2670 -0.8750 114 0 0 0 118 118 Q17 PSEUD 0 0.0000 -0.2727 2.0630 -1.4350 0 0 0 0 0 119 C28 C_BYL 0 0.0000 0.5550 -0.2620 -2.6860 113 120 121 0 0 120 H28 H_ALI 0 0.0000 0.7230 -1.3260 -2.7650 119 0 0 0 0 121 C29 C_ALI 0 0.0000 0.6950 0.6140 -3.9030 119 122 130 131 0 122 C34 C_ALI 0 0.0000 -0.4070 0.2740 -4.9070 121 123 127 128 0 123 C33 C_ALI 0 0.0000 -0.2650 1.1650 -6.1430 122 124 125 143 0 124 H331 H_ALI 0 0.0000 -1.0510 0.9220 -6.8580 123 0 0 0 126 125 H332 H_ALI 0 0.0000 -0.3510 2.2110 -5.8480 123 0 0 0 126 126 Q18 PSEUD 0 0.0000 -0.7010 1.5665 -6.3530 0 0 0 0 0 127 H341 H_ALI 0 0.0000 -0.3200 -0.7710 -5.2010 122 0 0 0 129 128 H342 H_ALI 0 0.0000 -1.3810 0.4430 -4.4480 122 0 0 0 129 129 Q19 PSEUD 0 0.0000 -0.8505 -0.1640 -4.8245 0 0 0 0 0 130 H29 H_ALI 0 0.0000 0.6090 1.6600 -3.6090 121 0 0 0 0 131 C30 C_ALI 0 0.0000 2.0620 0.3770 -4.5480 121 132 133 135 0 132 H301 H_ALI 0 0.0000 2.8480 0.6200 -3.8330 131 0 0 0 134 133 H302 H_ALI 0 0.0000 2.1490 -0.6680 -4.8420 131 0 0 0 134 134 Q20 PSEUD 0 0.0000 2.4985 -0.0240 -4.3375 0 0 0 0 0 135 C31 C_ALI 0 0.0000 2.2050 1.2680 -5.7830 131 136 142 143 0 136 O11 O_EST 0 0.0000 3.4820 1.0470 -6.3860 135 137 0 0 0 137 C45 C_ALI 0 0.0000 4.3880 1.9730 -5.7840 136 138 139 140 0 138 H451 H_ALI 0 0.0000 5.3810 1.8420 -6.2140 137 0 0 0 141 139 H452 H_ALI 0 0.0000 4.0440 2.9910 -5.9690 137 0 0 0 141 140 H453 H_ALI 0 0.0000 4.4310 1.7940 -4.7090 137 0 0 0 141 141 Q21 PSEUD 0 0.0000 4.6187 2.2090 -5.6307 0 0 0 0 0 142 H31 H_ALI 0 0.0000 2.1180 2.3140 -5.4890 135 0 0 0 0 143 C32 C_ALI 0 0.0000 1.1020 0.9280 -6.7870 123 135 144 145 0 144 H32 H_ALI 0 0.0000 1.1880 -0.1170 -7.0820 143 0 0 0 0 145 O12 O_EST 0 0.0000 1.2350 1.7600 -7.9420 143 146 0 0 0 146 C58 C_ARO 0 0.0000 0.6650 1.0890 -8.9780 145 147 151 0 0 147 C59 C_ARO 0 0.0000 -0.6580 1.3420 -9.3250 146 148 150 0 0 148 C62 C_ARO 0 0.0000 -1.2500 0.6710 -10.3720 147 149 153 0 0 149 H62 H_ALI 0 0.0000 -2.2780 0.8760 -10.6330 148 0 0 0 0 150 H59 H_ALI 0 0.0000 -1.2270 2.0720 -8.7670 147 0 0 0 0 151 C60 C_ARO 0 0.0000 1.4050 0.1620 -9.6860 146 152 168 0 0 152 C61 C_ARO 0 0.0000 0.8140 -0.5270 -10.7460 151 153 164 0 0 153 C63 C_ARO 0 0.0000 -0.5230 -0.2690 -11.0940 148 152 154 0 0 154 N65 N_AMO 0 0.0000 -0.8290 -1.0820 -12.1650 153 155 165 0 0 155 C67 C_ALI 0 0.0000 -2.1270 -1.1300 -12.8430 154 156 161 162 0 156 C68 C_ALI 0 0.0000 -3.0150 -2.1790 -12.1700 155 157 158 159 0 157 H681 H_ALI 0 0.0000 -3.9800 -2.2140 -12.6740 156 0 0 0 160 158 H682 H_ALI 0 0.0000 -2.5350 -3.1550 -12.2340 156 0 0 0 160 159 H683 H_ALI 0 0.0000 -3.1610 -1.9130 -11.1230 156 0 0 0 160 160 Q22 PSEUD 0 0.0000 -3.2253 -2.4273 -12.0103 0 0 0 0 0 161 H671 H_ALI 0 0.0000 -2.6060 -0.1530 -12.7790 155 0 0 0 163 162 H672 H_ALI 0 0.0000 -1.9800 -1.3950 -13.8900 155 0 0 0 163 163 Q23 PSEUD 0 0.0000 -2.2930 -0.7740 -13.3345 0 0 0 0 0 164 C64 C_ARO 0 0.0000 1.2860 -1.5500 -11.6820 152 165 167 0 0 165 C66 C_ARO 0 0.0000 0.2610 -1.8370 -12.5000 154 164 166 0 0 166 H66 H_ALI 0 0.0000 0.2920 -2.5580 -13.3040 165 0 0 0 0 167 H64 H_ALI 0 0.0000 2.2720 -1.9900 -11.7090 164 0 0 0 0 168 H60 H_ALI 0 0.0000 2.4340 -0.0290 -9.4190 151 0 0 0 0