REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN" RESIDUE A587 52 164 1 164 1 CHI1 0 0 0.0000 69 1 2 3 68 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 67 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 67 8 CHI8 0 0 0.0000 11 20 21 22 66 9 CHI9 0 0 0.0000 20 21 22 23 65 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 63 14 CHI14 0 0 0.0000 22 34 35 36 63 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 62 19 CHI19 0 0 0.0000 35 44 45 46 55 20 CHI20 0 0 0.0000 44 45 46 47 52 21 CHI21 0 0 0.0000 45 46 47 48 51 22 CHI22 0 0 0.0000 35 44 56 57 61 23 CHI23 0 0 0.0000 44 56 57 58 61 24 CHI24 0 0 0.0000 21 22 64 65 65 25 PHI1 0 0 0.0000 2 1 70 71 0 26 PHI2 0 0 0.0000 1 70 71 125 0 27 CHI25 0 0 0.0000 70 71 72 73 123 28 CHI26 0 0 0.0000 72 73 74 75 117 29 CHI27 0 0 0.0000 73 74 75 76 86 30 CHI28 0 0 0.0000 74 75 76 77 83 31 CHI29 0 0 0.0000 75 76 77 78 82 32 CHI30 0 0 0.0000 76 77 78 79 82 33 CHI31 0 0 0.0000 73 74 87 88 116 34 CHI32 0 0 0.0000 74 87 88 89 113 35 CHI33 0 0 0.0000 87 88 89 90 110 36 CHI34 0 0 0.0000 88 89 90 91 109 37 CHI35 0 0 0.0000 89 90 91 92 109 38 CHI36 0 0 0.0000 98 99 100 101 104 39 CHI37 0 0 0.0000 71 72 119 120 123 40 PHI3 0 0 0.0000 70 71 125 132 0 41 CHI38 0 0 0.0000 71 125 126 127 130 42 PHI4 0 0 0.0000 71 125 132 136 0 43 CHI39 0 0 0.0000 125 132 133 134 134 44 PHI5 0 0 0.0000 125 132 136 140 0 45 PHI6 0 0 0.0000 132 136 140 142 0 46 PHI7 0 0 0.0000 136 140 142 153 0 47 CHI40 0 0 0.0000 140 142 143 144 151 48 CHI41 0 0 0.0000 142 143 144 145 148 49 PHI8 0 0 0.0000 140 142 153 155 0 50 CHI42 0 0 0.0000 153 155 156 157 160 51 PHI9 0 0 0.0000 153 155 161 163 0 52 PHI10 0 0 0.0000 155 161 163 164 0 1 C1 C_BYL 0 0.0000 2.3870 -0.5660 0.7180 2 69 70 0 0 2 C2 C_ALI 0 0.0000 3.5780 0.2180 1.1820 1 3 11 68 0 3 C3 C_ALI 0 0.0000 4.8720 -0.4580 0.6990 2 4 8 9 0 4 C4 C_ALI 0 0.0000 6.0710 0.3740 1.1630 3 5 6 13 0 5 H41 H_ALI 0 0.0000 6.0070 1.3710 0.7340 4 0 0 0 7 6 H42 H_ALI 0 0.0000 6.9900 -0.1050 0.8220 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 6.4985 0.6330 0.7780 0 0 0 0 0 8 H31A H_ALI 0 0.0000 4.8700 -0.5180 -0.3880 3 0 0 0 10 9 H32A H_ALI 0 0.0000 4.9380 -1.4580 1.1280 3 0 0 0 10 10 Q2 PSEUD 0 0.0000 4.9040 -0.9880 0.3700 0 0 0 0 0 11 N7 N_AMO 0 0.0000 3.6480 0.3630 2.6390 2 12 20 0 0 12 C6 C_ALI 0 0.0000 4.7890 1.1400 3.1720 11 13 17 18 0 13 C5 C_ALI 0 0.0000 6.0800 0.4640 2.6890 4 12 14 15 0 14 H51 H_ALI 0 0.0000 6.9390 1.0480 3.0160 13 0 0 0 16 15 H52 H_ALI 0 0.0000 6.1450 -0.5370 3.1150 13 0 0 0 16 16 Q3 PSEUD 0 0.0000 6.5420 0.2555 3.0655 0 0 0 0 0 17 H61 H_ALI 0 0.0000 4.7440 2.1620 2.8000 12 0 0 0 19 18 H62A H_ALI 0 0.0000 4.7790 1.1370 4.2590 12 0 0 0 19 19 Q4 PSEUD 0 0.0000 4.7615 1.6495 3.5295 0 0 0 0 0 20 C8 C_BYL 0 0.0000 2.7370 -0.1500 3.4850 11 21 67 0 0 21 C9 C_BYL 0 0.0000 2.6260 0.3750 4.8750 20 22 66 0 0 22 C10 C_ALI 0 0.0000 2.0280 -0.4590 5.9900 21 23 34 64 0 23 C11 C_ALI 0 0.0000 2.7320 -0.0640 7.2880 22 24 28 33 0 24 C12 C_ALI 0 0.0000 1.8010 0.8330 8.1170 23 25 26 36 0 25 H121 H_ALI 0 0.0000 2.3080 1.1640 9.0340 24 0 0 0 27 26 H122 H_ALI 0 0.0000 1.4970 1.7110 7.5330 24 0 0 0 27 27 Q5 PSEUD 0 0.0000 1.9025 1.4375 8.2835 0 0 0 0 0 28 C35 C_ALI 0 0.0000 3.2560 -1.2760 8.0390 23 29 30 31 0 29 H351 H_ALI 0 0.0000 3.7500 -0.9510 8.9550 28 0 0 0 32 30 H352 H_ALI 0 0.0000 2.4260 -1.9370 8.2880 28 0 0 0 32 31 H353 H_ALI 0 0.0000 3.9700 -1.8110 7.4120 28 0 0 0 32 32 Q6 PSEUD 0 0.0000 3.3820 -1.5663 8.2183 0 0 0 0 0 33 H11 H_ALI 0 0.0000 3.6160 0.5480 7.0060 23 0 0 0 0 34 O5 O_EST 0 0.0000 0.6520 -0.3300 6.0170 22 35 0 0 0 35 C14 C_ALI 0 0.0000 -0.0690 -0.5260 7.1750 34 36 44 63 0 36 C13 C_ALI 0 0.0000 0.5840 -0.0380 8.4610 24 35 37 43 0 37 O7 O_EST 0 0.0000 0.8730 -1.1100 9.3490 36 38 0 0 0 38 C43 C_ALI 0 0.0000 0.6790 -0.6130 10.6740 37 39 40 41 0 39 H431 H_ALI 0 0.0000 0.8900 -1.4040 11.3930 38 0 0 0 42 40 H432 H_ALI 0 0.0000 1.3530 0.2250 10.8490 38 0 0 0 42 41 H433 H_ALI 0 0.0000 -0.3520 -0.2810 10.7910 38 0 0 0 42 42 Q7 PSEUD 0 0.0000 0.6303 -0.4867 11.0110 0 0 0 0 0 43 H13 H_ALI 0 0.0000 -0.1580 0.6110 8.9820 36 0 0 0 0 44 C15 C_ALI 0 0.0000 -1.4700 0.1110 7.0540 35 45 56 62 0 45 C16 C_ALI 0 0.0000 -2.2160 -0.5900 5.9230 44 46 53 54 0 46 C17 C_ALI 0 0.0000 -3.4080 0.2340 5.4370 45 47 52 161 0 47 C36 C_ALI 0 0.0000 -2.9320 1.2680 4.4170 46 48 49 50 0 48 H361 H_ALI 0 0.0000 -3.7810 1.8630 4.0810 47 0 0 0 51 49 H362 H_ALI 0 0.0000 -2.1910 1.9200 4.8790 47 0 0 0 51 50 H363 H_ALI 0 0.0000 -2.4860 0.7570 3.5640 47 0 0 0 51 51 Q8 PSEUD 0 0.0000 -2.8193 1.5133 4.1747 0 0 0 0 0 52 H17 H_ALI 0 0.0000 -3.8610 0.7510 6.2870 46 0 0 0 0 53 H161 H_ALI 0 0.0000 -2.5850 -1.5540 6.2930 45 0 0 0 55 54 H162 H_ALI 0 0.0000 -1.5350 -0.7760 5.0940 45 0 0 0 55 55 Q9 PSEUD 0 0.0000 -2.0600 -1.1650 5.6935 0 0 0 0 0 56 O8 O_EST 0 0.0000 -1.3170 1.5040 6.7880 44 57 0 0 0 57 C44 C_ALI 0 0.0000 -2.0670 2.1990 7.7850 56 58 59 60 0 58 H441 H_ALI 0 0.0000 -2.0540 3.2680 7.5710 57 0 0 0 61 59 H442 H_ALI 0 0.0000 -3.0970 1.8410 7.7810 57 0 0 0 61 60 H443 H_ALI 0 0.0000 -1.6240 2.0200 8.7650 57 0 0 0 61 61 Q10 PSEUD 0 0.0000 -2.2583 2.3763 8.0390 0 0 0 0 0 62 H15 H_ALI 0 0.0000 -2.0040 -0.0330 7.9920 44 0 0 0 0 63 H14 H_ALI 0 0.0000 -0.2530 -1.6180 7.3100 35 0 0 0 0 64 O6 O_HYD 0 0.0000 2.3800 -1.8350 5.7180 22 65 0 0 0 65 HO6 H_OXY 0 0.0000 1.9980 -2.0560 4.8570 64 0 0 0 0 66 O4 O_BYL 0 0.0000 2.9820 1.4990 5.1260 21 0 0 0 0 67 O3 O_BYL 0 0.0000 2.0470 -1.0880 3.1370 20 0 0 0 0 68 H2 H_ALI 0 0.0000 3.5310 1.2220 0.7300 2 0 0 0 0 69 O2 O_BYL 0 0.0000 2.4310 -1.7780 0.6830 1 0 0 0 0 70 O1 O_EST 0 0.0000 1.2690 0.0620 0.3310 1 71 0 0 0 71 C26 C_ALI 0 0.0000 0.3030 -0.5570 -0.5560 70 72 124 125 0 72 C27 C_BYL 0 0.0000 0.2240 0.2590 -1.8220 71 73 119 0 0 73 C28 C_BYL 0 0.0000 0.5160 -0.2890 -2.9750 72 74 118 0 0 74 C29 C_ALI 0 0.0000 0.6080 0.5640 -4.2130 73 75 87 117 0 75 C30 C_ALI 0 0.0000 1.9550 0.3250 -4.8980 74 76 84 85 0 76 C31 C_ALI 0 0.0000 2.0480 1.1910 -6.1560 75 77 83 89 0 77 O11 O_EST 0 0.0000 3.3070 0.9680 -6.7960 76 78 0 0 0 78 C45 C_ALI 0 0.0000 4.2240 1.9130 -6.2430 77 79 80 81 0 79 H451 H_ALI 0 0.0000 5.2040 1.7810 -6.7030 78 0 0 0 82 80 H452 H_ALI 0 0.0000 3.8650 2.9240 -6.4380 78 0 0 0 82 81 H453 H_ALI 0 0.0000 4.3040 1.7570 -5.1680 78 0 0 0 82 82 Q11 PSEUD 0 0.0000 4.4577 2.1540 -6.1030 0 0 0 0 0 83 H31 H_ALI 0 0.0000 1.9620 2.2420 -5.8800 76 0 0 0 0 84 H301 H_ALI 0 0.0000 2.7620 0.5880 -4.2150 75 0 0 0 86 85 H302 H_ALI 0 0.0000 2.0410 -0.7260 -5.1740 75 0 0 0 86 86 Q12 PSEUD 0 0.0000 2.4015 -0.0690 -4.6945 0 0 0 0 0 87 C34 C_ALI 0 0.0000 -0.5240 0.1930 -5.1730 74 88 114 115 0 88 C33 C_ALI 0 0.0000 -0.4300 1.0600 -6.4310 87 89 111 112 0 89 C32 C_ALI 0 0.0000 0.9160 0.8210 -7.1160 76 88 90 110 0 90 O12 O_EST 0 0.0000 1.0030 1.6300 -8.2900 89 91 0 0 0 91 C58 C_ARO 0 0.0000 0.4060 0.9320 -9.2930 90 92 96 0 0 92 C59 C_ARO 0 0.0000 -0.9300 1.1680 -9.6010 91 93 95 0 0 93 C62 C_ARO 0 0.0000 -1.5500 0.4710 -10.6140 92 94 98 0 0 94 H62 H_ALI 0 0.0000 -2.5880 0.6610 -10.8440 93 0 0 0 0 95 H59 H_ALI 0 0.0000 -1.4870 1.9040 -9.0400 92 0 0 0 0 96 C60 C_ARO 0 0.0000 1.1300 -0.0020 -10.0060 91 97 109 0 0 97 C61 C_ARO 0 0.0000 0.5100 -0.7180 -11.0320 96 98 105 0 0 98 C63 C_ARO 0 0.0000 -0.8400 -0.4780 -11.3400 93 97 99 0 0 99 N65 N_AMO 0 0.0000 -1.1740 -1.3160 -12.3840 98 100 106 0 0 100 C67 C_ALI 0 0.0000 -2.4930 -1.3880 -13.0170 99 101 102 103 0 101 H671 H_ALI 0 0.0000 -2.5370 -0.6820 -13.8460 100 0 0 0 104 102 H672 H_ALI 0 0.0000 -2.6610 -2.3980 -13.3900 100 0 0 0 104 103 H673 H_ALI 0 0.0000 -3.2610 -1.1390 -12.2850 100 0 0 0 104 104 Q13 PSEUD 0 0.0000 -2.8197 -1.4063 -13.1737 0 0 0 0 0 105 C64 C_ARO 0 0.0000 0.9600 -1.7570 -11.9620 97 106 108 0 0 106 C66 C_ARO 0 0.0000 -0.0880 -2.0690 -12.7400 99 105 107 0 0 107 H66 H_ALI 0 0.0000 -0.0770 -2.8060 -13.5290 106 0 0 0 0 108 H64 H_ALI 0 0.0000 1.9480 -2.1890 -12.0130 105 0 0 0 0 109 H60 H_ALI 0 0.0000 2.1690 -0.1800 -9.7700 96 0 0 0 0 110 H32 H_ALI 0 0.0000 1.0020 -0.2290 -7.3910 89 0 0 0 0 111 H331 H_ALI 0 0.0000 -1.2370 0.7960 -7.1140 88 0 0 0 113 112 H332 H_ALI 0 0.0000 -0.5170 2.1110 -6.1550 88 0 0 0 113 113 Q14 PSEUD 0 0.0000 -0.8770 1.4535 -6.6345 0 0 0 0 0 114 H341 H_ALI 0 0.0000 -0.4380 -0.8570 -5.4490 87 0 0 0 116 115 H342 H_ALI 0 0.0000 -1.4840 0.3640 -4.6850 87 0 0 0 116 116 Q15 PSEUD 0 0.0000 -0.9610 -0.2465 -5.0670 0 0 0 0 0 117 H29 H_ALI 0 0.0000 0.5220 1.6150 -3.9380 74 0 0 0 0 118 H28 H_ALI 0 0.0000 0.6900 -1.3530 -3.0380 73 0 0 0 0 119 C42 C_ALI 0 0.0000 -0.1900 1.7060 -1.7600 72 120 121 122 0 120 H421 H_ALI 0 0.0000 -0.2870 2.1010 -2.7710 119 0 0 0 123 121 H422 H_ALI 0 0.0000 -1.1480 1.7880 -1.2450 119 0 0 0 123 122 H423 H_ALI 0 0.0000 0.5620 2.2770 -1.2170 119 0 0 0 123 123 Q16 PSEUD 0 0.0000 -0.2910 2.0553 -1.7443 0 0 0 0 0 124 H26 H_ALI 0 0.0000 0.6220 -1.5700 -0.7870 71 0 0 0 0 125 C25 C_ALI 0 0.0000 -1.0720 -0.5930 0.1200 71 126 131 132 0 126 C41 C_ALI 0 0.0000 -0.9340 -1.3310 1.4550 125 127 128 129 0 127 H411 H_ALI 0 0.0000 -1.9030 -1.3670 1.9520 126 0 0 0 130 128 H412 H_ALI 0 0.0000 -0.5800 -2.3460 1.2730 126 0 0 0 130 129 H413 H_ALI 0 0.0000 -0.2190 -0.8060 2.0880 126 0 0 0 130 130 Q17 PSEUD 0 0.0000 -0.9007 -1.5063 1.7710 0 0 0 0 0 131 H25 H_ALI 0 0.0000 -1.4120 0.4260 0.3010 125 0 0 0 0 132 C24 C_ALI 0 0.0000 -2.0760 -1.3140 -0.7750 125 133 135 136 0 133 O10 O_HYD 0 0.0000 -1.6230 -2.6480 -1.0150 132 134 0 0 0 134 HO10 H_OXY 0 0.0000 -2.2820 -3.0700 -1.5830 133 0 0 0 0 135 H24 H_ALI 0 0.0000 -2.1630 -0.7900 -1.7320 132 0 0 0 0 136 C23 C_ALI 0 0.0000 -3.4640 -1.3560 -0.1340 132 137 138 140 0 137 H231 H_ALI 0 0.0000 -4.1440 -1.8800 -0.8240 136 0 0 0 139 138 H232 H_ALI 0 0.0000 -3.4510 -1.9020 0.7980 136 0 0 0 139 139 Q18 PSEUD 0 0.0000 -3.7975 -1.8910 -0.0130 0 0 0 0 0 140 C22 C_BYL 0 0.0000 -3.9700 0.0460 0.0680 136 141 142 0 0 141 O9 O_BYL 0 0.0000 -3.5600 0.9440 -0.6290 140 0 0 0 0 142 C21 C_ALI 0 0.0000 -4.9890 0.3510 1.1460 140 143 152 153 0 143 C38 C_ALI 0 0.0000 -5.1670 1.8720 1.1990 142 144 149 150 0 144 C39 C_ALI 0 0.0000 -5.8540 2.3510 -0.0800 143 145 146 147 0 145 H391 H_ALI 0 0.0000 -6.0640 3.4170 -0.0030 144 0 0 0 148 146 H392 H_ALI 0 0.0000 -5.1990 2.1710 -0.9330 144 0 0 0 148 147 H393 H_ALI 0 0.0000 -6.7870 1.8050 -0.2170 144 0 0 0 148 148 Q19 PSEUD 0 0.0000 -6.0167 2.4643 -0.3843 0 0 0 0 0 149 H381 H_ALI 0 0.0000 -4.1900 2.3490 1.2880 143 0 0 0 151 150 H382 H_ALI 0 0.0000 -5.7800 2.1370 2.0610 143 0 0 0 151 151 Q20 PSEUD 0 0.0000 -4.9850 2.2430 1.6745 0 0 0 0 0 152 H21 H_ALI 0 0.0000 -5.9300 -0.1230 0.8770 142 0 0 0 0 153 C20 C_BYL 0 0.0000 -4.4800 -0.1730 2.4550 142 154 155 0 0 154 H20 H_ALI 0 0.0000 -3.5010 -0.6680 2.4530 153 0 0 0 0 155 C19 C_BYL 0 0.0000 -5.1030 -0.1140 3.6000 153 156 161 0 0 156 C37 C_ALI 0 0.0000 -6.4770 0.4910 3.7460 155 157 158 159 0 157 H371 H_ALI 0 0.0000 -6.8620 0.7600 2.7630 156 0 0 0 160 158 H372 H_ALI 0 0.0000 -7.1450 -0.2330 4.2130 156 0 0 0 160 159 H373 H_ALI 0 0.0000 -6.4160 1.3830 4.3690 156 0 0 0 160 160 Q21 PSEUD 0 0.0000 -6.8077 0.6367 3.7817 0 0 0 0 0 161 C18 C_ALI 0 0.0000 -4.4500 -0.7020 4.8290 46 155 162 163 0 162 H18 H_ALI 0 0.0000 -5.2290 -0.8980 5.5770 161 0 0 0 0 163 O13 O_HYD 0 0.0000 -3.8510 -1.9530 4.4800 161 164 0 0 0 164 HO13 H_OXY 0 0.0000 -4.5620 -2.5230 4.1580 163 0 0 0 0