REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "SORAPHEN A" RESIDUE S1A 28 94 1 94 1 CHI1 0 0 0.0000 93 1 2 3 92 2 CHI2 0 0 0.0000 1 2 3 4 86 3 CHI3 0 0 0.0000 2 3 4 5 15 4 CHI4 0 0 0.0000 3 4 5 6 8 5 CHI5 0 0 0.0000 4 5 6 7 7 6 CHI6 0 0 0.0000 3 4 9 10 14 7 CHI7 0 0 0.0000 4 9 10 11 14 8 CHI8 0 0 0.0000 2 3 16 17 17 9 CHI9 0 0 0.0000 2 3 18 19 86 10 CHI10 0 0 0.0000 3 18 19 20 86 11 CHI11 0 0 0.0000 18 19 20 21 26 12 CHI12 0 0 0.0000 19 20 21 22 25 13 CHI13 0 0 0.0000 18 19 27 28 85 14 CHI14 0 0 0.0000 19 27 28 29 79 15 CHI15 0 0 0.0000 28 29 30 31 77 16 CHI16 0 0 0.0000 29 30 31 32 70 17 CHI17 0 0 0.0000 30 31 32 33 63 18 CHI18 0 0 0.0000 31 32 33 34 60 19 CHI19 0 0 0.0000 32 33 34 35 57 20 CHI20 0 0 0.0000 33 34 35 36 54 21 CHI21 0 0 0.0000 34 35 36 37 51 22 CHI22 0 0 0.0000 35 36 37 38 48 23 CHI23 0 0 0.0000 30 31 64 65 69 24 CHI24 0 0 0.0000 31 64 65 66 69 25 CHI25 0 0 0.0000 29 30 71 72 76 26 CHI26 0 0 0.0000 30 71 72 73 76 27 CHI27 0 0 0.0000 19 27 80 81 84 28 CHI28 0 0 0.0000 1 2 87 88 91 1 C1 C_BYL 0 0.0000 -1.5430 -0.2770 -0.4150 2 93 94 0 0 2 C2 C_ALI 0 0.0000 -2.2250 0.2210 0.8430 1 3 87 92 0 3 C3 C_ALI 0 0.0000 -1.6030 -0.4880 2.0500 2 4 16 18 0 4 C4 C_ALI 0 0.0000 -1.9230 0.2670 3.3400 3 5 9 15 0 5 C5 C_ALI 0 0.0000 -0.5830 0.8370 3.8670 4 6 8 20 0 6 O5 O_HYD 0 0.0000 -0.7790 1.6520 5.0190 5 7 0 0 0 7 HA H_OXY 0 0.0000 -1.2070 2.4650 4.7170 6 0 0 0 0 8 H5 H_ALI 0 0.0000 -0.0350 1.3540 3.0860 5 0 0 0 0 9 O4 O_EST 0 0.0000 -2.8480 1.3320 3.1260 4 10 0 0 0 10 C20 C_ALI 0 0.0000 -3.5650 1.5080 4.3500 9 11 12 13 0 11 H201 H_ALI 0 0.0000 -4.2880 2.3160 4.2340 10 0 0 0 14 12 H202 H_ALI 0 0.0000 -4.0880 0.5850 4.6000 10 0 0 0 14 13 H203 H_ALI 0 0.0000 -2.8660 1.7580 5.1480 10 0 0 0 14 14 Q1 PSEUD 0 0.0000 -3.7473 1.5530 4.6607 0 0 0 0 0 15 H4 H_ALI 0 0.0000 -2.3380 -0.4290 4.0810 4 0 0 0 0 16 O3 O_HYD 0 0.0000 -2.2410 -1.7850 2.1460 3 17 0 0 0 17 H3 H_OXY 0 0.0000 -2.0570 -2.2500 1.3180 16 0 0 0 0 18 O7 O_EST 0 0.0000 -0.2360 -0.6860 1.8460 3 19 0 0 0 19 C7 C_ALI 0 0.0000 0.5400 -1.1290 2.9220 18 20 27 86 0 20 C6 C_ALI 0 0.0000 0.1030 -0.5060 4.2390 5 19 21 26 0 21 C21 C_ALI 0 0.0000 1.2210 -0.2820 5.2440 20 22 23 24 0 22 H211 H_ALI 0 0.0000 0.8120 0.1640 6.1500 21 0 0 0 25 23 H212 H_ALI 0 0.0000 1.6870 -1.2370 5.4880 21 0 0 0 25 24 H213 H_ALI 0 0.0000 1.9670 0.3860 4.8140 21 0 0 0 25 25 Q2 PSEUD 0 0.0000 1.4887 -0.2290 5.4840 0 0 0 0 0 26 H6 H_ALI 0 0.0000 -0.6590 -1.1550 4.7000 20 0 0 0 0 27 C8 C_ALI 0 0.0000 2.0210 -0.9130 2.6200 19 28 80 85 0 28 C9 C_BYL 0 0.0000 2.2200 -0.7820 1.1270 27 29 79 0 0 29 C10 C_BYL 0 0.0000 3.3960 -0.4690 0.6550 28 30 78 0 0 30 C11 C_ALI 0 0.0000 3.6380 -0.3940 -0.8300 29 31 71 77 0 31 C12 C_ALI 0 0.0000 3.1060 0.9240 -1.3830 30 32 64 70 0 32 C13 C_ALI 0 0.0000 2.4620 0.7070 -2.7560 31 33 61 62 0 33 C14 C_ALI 0 0.0000 1.8080 2.0140 -3.2080 32 34 58 59 0 34 C15 C_ALI 0 0.0000 0.4420 1.7240 -3.8430 33 35 55 56 0 35 C16 C_ALI 0 0.0000 -0.6670 2.2760 -2.9600 34 36 52 53 0 36 C17 C_ALI 0 0.0000 -1.5710 1.1990 -2.3740 35 37 51 94 0 37 C25 C_ARO 0 0.0000 -1.9700 0.1770 -3.4030 36 38 42 0 0 38 C26 C_ARO 0 0.0000 -1.1910 -0.9470 -3.5980 37 39 41 0 0 39 C27 C_ARO 0 0.0000 -1.5580 -1.8860 -4.5430 38 40 44 0 0 40 H27 H_ALI 0 0.0000 -0.9490 -2.7650 -4.6960 39 0 0 0 49 41 H26 H_ALI 0 0.0000 -0.2960 -1.0930 -3.0110 38 0 0 0 48 42 C30 C_ARO 0 0.0000 -3.1180 0.3610 -4.1490 37 43 47 0 0 43 C29 C_ARO 0 0.0000 -3.4830 -0.5750 -5.0980 42 44 46 0 0 44 C28 C_ARO 0 0.0000 -2.7040 -1.7000 -5.2940 39 43 45 0 0 45 H28 H_ALI 0 0.0000 -2.9900 -2.4330 -6.0330 44 0 0 0 0 46 H29 H_ALI 0 0.0000 -4.3780 -0.4290 -5.6850 43 0 0 0 49 47 H30 H_ALI 0 0.0000 -3.7270 1.2400 -3.9970 42 0 0 0 48 48 Q11 PSEUD 0 0.0000 -2.0115 0.0735 -3.5040 0 0 0 0 50 49 Q12 PSEUD 0 0.0000 -2.6635 -1.5970 -5.1905 0 0 0 0 50 50 QQA PSEUD 0 0.0000 -2.3375 -0.7617 -4.3472 0 0 0 0 0 51 H17 H_ALI 0 0.0000 -2.5040 1.6990 -2.0460 36 0 0 0 0 52 H161 H_ALI 0 0.0000 -0.2180 2.8430 -2.1300 35 0 0 0 54 53 H162 H_ALI 0 0.0000 -1.2670 2.9790 -3.5430 35 0 0 0 54 54 Q3 PSEUD 0 0.0000 -0.7425 2.9110 -2.8365 0 0 0 0 0 55 H151 H_ALI 0 0.0000 0.4080 2.2450 -4.8120 34 0 0 0 57 56 H152 H_ALI 0 0.0000 0.3570 0.6590 -4.0260 34 0 0 0 57 57 Q4 PSEUD 0 0.0000 0.3825 1.4520 -4.4190 0 0 0 0 0 58 H141 H_ALI 0 0.0000 1.6740 2.6640 -2.3390 33 0 0 0 60 59 H142 H_ALI 0 0.0000 2.4470 2.5120 -3.9430 33 0 0 0 60 60 Q5 PSEUD 0 0.0000 2.0605 2.5880 -3.1410 0 0 0 0 0 61 H131 H_ALI 0 0.0000 3.2290 0.4200 -3.4840 32 0 0 0 63 62 H132 H_ALI 0 0.0000 1.7080 -0.0720 -2.6960 32 0 0 0 63 63 Q6 PSEUD 0 0.0000 2.4685 0.1740 -3.0900 0 0 0 0 0 64 O12 O_EST 0 0.0000 4.1830 1.8600 -1.5170 31 65 0 0 0 65 C24 C_ALI 0 0.0000 4.2700 2.5700 -0.2800 64 66 67 68 0 66 H241 H_ALI 0 0.0000 5.0210 3.3560 -0.3640 65 0 0 0 69 67 H242 H_ALI 0 0.0000 3.3030 3.0140 -0.0470 65 0 0 0 69 68 H243 H_ALI 0 0.0000 4.5550 1.8800 0.5140 65 0 0 0 69 69 Q7 PSEUD 0 0.0000 4.2930 2.7500 0.0343 0 0 0 0 0 70 H12 H_ALI 0 0.0000 2.3630 1.3440 -0.7060 31 0 0 0 0 71 O11 O_EST 0 0.0000 2.9990 -1.5000 -1.4730 30 72 0 0 0 72 C23 C_ALI 0 0.0000 3.9530 -2.5640 -1.5100 71 73 74 75 0 73 H231 H_ALI 0 0.0000 3.5080 -3.4330 -1.9950 72 0 0 0 76 74 H232 H_ALI 0 0.0000 4.8310 -2.2450 -2.0710 72 0 0 0 76 75 H233 H_ALI 0 0.0000 4.2460 -2.8240 -0.4930 72 0 0 0 76 76 Q8 PSEUD 0 0.0000 4.1950 -2.8340 -1.5197 0 0 0 0 0 77 H11 H_ALI 0 0.0000 4.7130 -0.4590 -1.0190 30 0 0 0 0 78 H10 H_ALI 0 0.0000 4.2090 -0.2530 1.3360 29 0 0 0 0 79 H9 H_ALI 0 0.0000 1.3890 -0.9360 0.4560 28 0 0 0 0 80 C22 C_ALI 0 0.0000 2.8130 -2.1480 3.0810 27 81 82 83 0 81 H221 H_ALI 0 0.0000 3.8720 -2.0020 2.8690 80 0 0 0 84 82 H222 H_ALI 0 0.0000 2.6730 -2.2900 4.1530 80 0 0 0 84 83 H223 H_ALI 0 0.0000 2.4540 -3.0290 2.5490 80 0 0 0 84 84 Q9 PSEUD 0 0.0000 2.9997 -2.4403 3.1903 0 0 0 0 0 85 H8 H_ALI 0 0.0000 2.4150 -0.0270 3.0960 27 0 0 0 0 86 H7 H_ALI 0 0.0000 0.3910 -2.2250 3.0160 19 0 0 0 0 87 C19 C_ALI 0 0.0000 -3.7140 -0.1270 0.7510 2 88 89 90 0 88 H191 H_ALI 0 0.0000 -4.1470 0.3540 -0.1250 87 0 0 0 91 89 H192 H_ALI 0 0.0000 -3.8300 -1.2070 0.6650 87 0 0 0 91 90 H193 H_ALI 0 0.0000 -4.2260 0.2220 1.6480 87 0 0 0 91 91 Q10 PSEUD 0 0.0000 -4.0677 -0.2103 0.7293 0 0 0 0 0 92 H2 H_ALI 0 0.0000 -2.0980 1.2950 0.9220 2 0 0 0 0 93 O1 O_BYL 0 0.0000 -1.5680 -1.4610 -0.6370 1 0 0 0 0 94 O18 O_EST 0 0.0000 -0.9540 0.5790 -1.2340 1 36 0 0 0