REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE" RESIDUE BIQ 14 95 1 95 1 CHI1 0 0 0.0000 1 2 3 4 83 2 CHI2 0 0 0.0000 2 3 4 5 80 3 CHI3 0 0 0.0000 3 4 5 6 80 4 CHI4 0 0 0.0000 4 5 6 7 79 5 CHI5 0 0 0.0000 5 6 7 8 78 6 CHI6 0 0 0.0000 10 11 12 13 21 7 CHI7 0 0 0.0000 11 12 13 14 18 8 CHI8 0 0 0.0000 12 13 14 15 17 9 CHI9 0 0 0.0000 24 25 26 27 42 10 CHI10 0 0 0.0000 25 26 28 29 42 11 CHI11 0 0 0.0000 26 28 29 30 41 12 CHI12 0 0 0.0000 28 29 30 31 38 13 CHI13 0 0 0.0000 29 30 31 32 35 14 CHI14 0 0 0.0000 55 69 70 71 72 1 C1 C_ARO 0 0.0000 -7.2890 1.1010 2.0860 2 90 91 0 0 2 C2 C_ARO 0 0.0000 -6.2520 1.8720 1.5960 1 3 84 0 0 3 C3 C_ALI 0 0.0000 -4.8300 1.3880 1.7180 2 4 81 82 0 4 O4 O_EST 0 0.0000 -4.4820 0.6060 0.5450 3 5 0 0 0 5 C5 C_BYL 0 0.0000 -3.2530 0.0680 0.4350 4 6 80 0 0 6 N6 N_AMO 0 0.0000 -2.9290 -0.6570 -0.6540 5 7 79 0 0 7 C7 C_ALI 0 0.0000 -1.5920 -1.2420 -0.7740 6 8 52 78 0 8 C8 C_BYL 0 0.0000 -0.6460 -0.2160 -1.3480 7 9 10 0 0 9 O9 O_BYL 0 0.0000 0.1910 -0.5440 -2.1630 8 0 0 0 0 10 N10 N_AMO 0 0.0000 -0.7390 1.0810 -0.9450 8 11 51 0 0 11 C11 C_ALI 0 0.0000 0.2530 2.0100 -1.5330 10 12 22 50 0 12 C12 C_ALI 0 0.0000 -0.4140 3.3530 -1.8350 11 13 19 20 0 13 C13 C_BYL 0 0.0000 -1.4610 3.1650 -2.9020 12 14 18 0 0 14 N14 N_AMO 0 0.0000 -2.1830 4.2200 -3.3310 13 15 16 0 0 15 H141 H_AMI 0 0.0000 -2.0280 5.0990 -2.9530 14 0 0 0 17 16 H142 H_AMI 0 0.0000 -2.8570 4.0990 -4.0180 14 0 0 0 17 17 Q1 PSEUD 0 0.0000 -2.4425 4.5990 -3.4855 0 0 0 0 0 18 O15 O_BYL 0 0.0000 -1.6550 2.0650 -3.3740 13 0 0 0 0 19 H121 H_ALI 0 0.0000 -0.8830 3.7380 -0.9290 12 0 0 0 21 20 H122 H_ALI 0 0.0000 0.3370 4.0620 -2.1840 12 0 0 0 21 21 Q2 PSEUD 0 0.0000 -0.2730 3.9000 -1.5565 0 0 0 0 0 22 C16 C_BYL 0 0.0000 1.3620 2.2070 -0.5420 11 23 24 0 0 23 O17 O_BYL 0 0.0000 1.1440 2.7870 0.5010 22 0 0 0 0 24 N18 N_AMO 0 0.0000 2.6000 1.7420 -0.8070 22 25 49 0 0 25 C19 C_ALI 0 0.0000 3.6430 1.8230 0.2160 24 26 43 48 0 26 C20 C_BYL 0 0.0000 4.3600 3.1430 0.0960 25 27 28 0 0 27 O21 O_BYL 0 0.0000 4.3050 3.7710 -0.9410 26 0 0 0 0 28 N22 N_AMO 0 0.0000 5.0630 3.6250 1.1400 26 29 42 0 0 29 C23 C_ALI 0 0.0000 5.7600 4.9080 1.0230 28 30 39 40 0 30 C24 C_ALI 0 0.0000 6.4750 5.2220 2.3390 29 31 36 37 0 31 C25 C_ALI 0 0.0000 7.2040 6.5620 2.2170 30 32 33 34 0 32 H251 H_ALI 0 0.0000 7.9350 6.5060 1.4110 31 0 0 0 35 33 H252 H_ALI 0 0.0000 6.4820 7.3490 1.9990 31 0 0 0 35 34 H253 H_ALI 0 0.0000 7.7130 6.7850 3.1550 31 0 0 0 35 35 Q3 PSEUD 0 0.0000 7.3767 6.8800 2.1883 0 0 0 0 0 36 H241 H_ALI 0 0.0000 7.1970 4.4350 2.5570 30 0 0 0 38 37 H242 H_ALI 0 0.0000 5.7440 5.2780 3.1450 30 0 0 0 38 38 Q4 PSEUD 0 0.0000 6.4705 4.8565 2.8510 0 0 0 0 0 39 H231 H_ALI 0 0.0000 5.0390 5.6960 0.8050 29 0 0 0 41 40 H232 H_ALI 0 0.0000 6.4920 4.8520 0.2170 29 0 0 0 41 41 Q5 PSEUD 0 0.0000 5.7655 5.2740 0.5110 0 0 0 0 0 42 HN22 H_AMI 0 0.0000 5.1070 3.1230 1.9680 28 0 0 0 0 43 C26 C_ALI 0 0.0000 4.6470 0.6770 0.0250 25 44 45 46 0 44 C27 C_ARO 0 0.0000 3.9340 -0.6430 0.1900 43 59 63 0 0 45 H261 H_ALI 0 0.0000 5.0790 0.7350 -0.9740 43 0 0 0 47 46 H262 H_ALI 0 0.0000 5.4380 0.7590 0.7700 43 0 0 0 47 47 Q6 PSEUD 0 0.0000 5.2585 0.7470 -0.1020 0 0 0 0 0 48 H19 H_ALI 0 0.0000 3.1890 1.7460 1.2030 25 0 0 0 0 49 HN18 H_AMI 0 0.0000 2.7970 1.3540 -1.6740 24 0 0 0 0 50 H11 H_ALI 0 0.0000 0.6550 1.5840 -2.4530 11 0 0 0 0 51 HN10 H_AMI 0 0.0000 -1.4120 1.3780 -0.3130 10 0 0 0 0 52 C41 C_ALI 0 0.0000 -1.6510 -2.4680 -1.7000 7 53 75 76 0 53 C34 C_ARO 0 0.0000 -0.9300 -3.6180 -1.0390 52 54 67 0 0 54 C33 C_ARO 0 0.0000 0.3120 -3.4310 -0.4710 53 55 66 0 0 55 C32 C_ARO 0 0.0000 0.9810 -4.4840 0.1270 54 56 69 0 0 56 O31 O_EST 0 0.0000 2.1950 -4.3360 0.7000 55 57 0 0 0 57 C30 C_ARO 0 0.0000 2.7100 -3.1050 0.4960 56 58 62 0 0 58 C29 C_ARO 0 0.0000 3.2630 -2.7530 -0.7280 57 59 61 0 0 59 C28 C_ARO 0 0.0000 3.8760 -1.5250 -0.8770 44 58 60 0 0 60 H28 H_ALI 0 0.0000 4.3110 -1.2510 -1.8260 59 0 0 0 0 61 H29 H_ALI 0 0.0000 3.2130 -3.4380 -1.5620 58 0 0 0 0 62 C42 C_ARO 0 0.0000 2.7200 -2.1850 1.5410 57 63 65 0 0 63 C43 C_ARO 0 0.0000 3.3260 -0.9600 1.3860 44 62 64 0 0 64 H43 H_ALI 0 0.0000 3.3260 -0.2480 2.1980 63 0 0 0 0 65 H42 H_ALI 0 0.0000 2.2490 -2.4350 2.4800 62 0 0 0 0 66 H33 H_ALI 0 0.0000 0.7680 -2.4520 -0.4930 54 0 0 0 0 67 C35 C_ARO 0 0.0000 -1.5250 -4.8680 -1.0100 53 68 74 0 0 68 C36 C_ARO 0 0.0000 -0.8550 -5.9170 -0.4150 67 69 73 0 0 69 C37 C_ARO 0 0.0000 0.3880 -5.7480 0.1510 55 68 70 0 0 70 N38 N_AMO 0 0.0000 1.0880 -6.8930 0.7770 69 71 72 0 0 71 O39 O_XXX 0 0.0000 0.5640 -7.9920 0.7940 70 0 0 0 0 72 O40 O_XXX 0 0.0000 2.1880 -6.7350 1.2760 70 0 0 0 0 73 H36 H_ALI 0 0.0000 -1.3160 -6.8930 -0.3930 68 0 0 0 0 74 H35 H_ALI 0 0.0000 -2.5010 -5.0200 -1.4460 67 0 0 0 0 75 H411 H_ALI 0 0.0000 -1.1690 -2.2320 -2.6480 52 0 0 0 77 76 H412 H_ALI 0 0.0000 -2.6910 -2.7420 -1.8760 52 0 0 0 77 77 Q7 PSEUD 0 0.0000 -1.9300 -2.4870 -2.2620 0 0 0 0 0 78 H7 H_ALI 0 0.0000 -1.2400 -1.5480 0.2110 7 0 0 0 0 79 HN6 H_AMI 0 0.0000 -3.5830 -0.7920 -1.3590 6 0 0 0 0 80 O44 O_BYL 0 0.0000 -2.4340 0.2370 1.3170 5 0 0 0 0 81 H31 H_ALI 0 0.0000 -4.7330 0.7680 2.6100 3 0 0 0 83 82 H32 H_ALI 0 0.0000 -4.1600 2.2440 1.7960 3 0 0 0 83 83 Q8 PSEUD 0 0.0000 -4.4465 1.5060 2.2030 0 0 0 0 0 84 C45 C_ARO 0 0.0000 -6.5180 3.0890 0.9970 2 85 89 0 0 85 C46 C_ARO 0 0.0000 -7.8230 3.5310 0.8810 84 86 88 0 0 86 C47 C_ARO 0 0.0000 -8.8600 2.7600 1.3710 85 87 91 0 0 87 H47 H_ALI 0 0.0000 -9.8790 3.1070 1.2820 86 0 0 0 0 88 H46 H_ALI 0 0.0000 -8.0310 4.4810 0.4100 85 0 0 0 94 89 H45 H_ALI 0 0.0000 -5.7080 3.6920 0.6150 84 0 0 0 93 90 H1 H_ALI 0 0.0000 -7.0810 0.1520 2.5570 1 0 0 0 93 91 C48 C_ARO 0 0.0000 -8.5930 1.5450 1.9740 1 86 92 0 0 92 H48 H_ALI 0 0.0000 -9.4040 0.9430 2.3570 91 0 0 0 94 93 Q9 PSEUD 0 0.0000 -6.3945 1.9220 1.5860 0 0 0 0 95 94 Q10 PSEUD 0 0.0000 -8.7175 2.7120 1.3835 0 0 0 0 95 95 QQA PSEUD 0 0.0000 -7.5560 2.3170 1.4848 0 0 0 0 0