REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione RESIDUE A356 16 73 1 73 1 CHI1 0 0 0.0000 2 3 4 5 26 2 CHI2 0 0 0.0000 3 4 5 6 22 3 CHI3 0 0 0.0000 4 5 6 7 19 4 CHI4 0 0 0.0000 5 6 7 8 14 5 CHI5 0 0 0.0000 6 7 8 9 11 6 CHI6 0 0 0.0000 5 6 15 16 18 7 CHI7 0 0 0.0000 3 4 23 24 26 8 CHI8 0 0 0.0000 1 2 27 28 37 9 CHI9 0 0 0.0000 2 27 28 29 34 10 CHI10 0 0 0.0000 27 28 29 30 34 11 CHI11 0 0 0.0000 28 29 30 31 34 12 PHI1 0 0 0.0000 41 50 51 55 0 13 PHI2 0 0 0.0000 50 51 55 63 0 14 CHI12 0 0 0.0000 56 57 58 59 62 15 CHI13 0 0 0.0000 63 64 65 66 68 16 PHI3 0 0 0.0000 57 69 70 72 0 1 C1 C_ARO 0 0.0000 -0.8780 0.2430 -0.4080 2 38 48 0 0 2 N2 N_AMO 0 0.0000 -2.0070 0.6100 0.3110 1 3 27 0 0 3 C5 C_ARO 0 0.0000 -2.8370 -0.4670 0.3130 2 4 39 0 0 4 N11 N_AMO 0 0.0000 -4.0700 -0.5200 0.9210 3 5 23 0 0 5 C16 C_ALI 0 0.0000 -4.6960 -1.8340 0.7270 4 6 20 21 0 6 C21 C_ALI 0 0.0000 -5.9940 -1.9060 1.5350 5 7 15 19 0 7 C26 C_ALI 0 0.0000 -6.9400 -0.7950 1.0720 6 8 12 13 0 8 C22 C_ALI 0 0.0000 -6.2460 0.5590 1.2400 7 9 10 23 0 9 H221 H_ALI 0 0.0000 -6.0270 0.7280 2.2940 8 0 0 0 11 10 H222 H_ALI 0 0.0000 -6.8980 1.3510 0.8720 8 0 0 0 11 11 Q1 PSEUD 0 0.0000 -6.4625 1.0395 1.5830 0 0 0 0 0 12 H261 H_ALI 0 0.0000 -7.1950 -0.9470 0.0230 7 0 0 0 14 13 H262 H_ALI 0 0.0000 -7.8490 -0.8160 1.6740 7 0 0 0 14 14 Q2 PSEUD 0 0.0000 -7.5220 -0.8815 0.8485 0 0 0 0 0 15 N27 N_AMO 0 0.0000 -6.6310 -3.2130 1.3240 6 16 17 0 0 16 H271 H_AMI 0 0.0000 -7.4910 -3.2850 1.8470 15 0 0 0 18 17 H272 H_AMI 0 0.0000 -6.7910 -3.3830 0.3420 15 0 0 0 18 18 Q3 PSEUD 0 0.0000 -7.1410 -3.3340 1.0945 0 0 0 0 0 19 H21 H_ALI 0 0.0000 -5.7710 -1.7770 2.5940 6 0 0 0 0 20 H161 H_ALI 0 0.0000 -4.9180 -1.9780 -0.3300 5 0 0 0 22 21 H162 H_ALI 0 0.0000 -4.0150 -2.6150 1.0640 5 0 0 0 22 22 Q4 PSEUD 0 0.0000 -4.4665 -2.2965 0.3670 0 0 0 0 0 23 C17 C_ALI 0 0.0000 -4.9410 0.5600 0.4400 4 8 24 25 0 24 H171 H_ALI 0 0.0000 -4.4370 1.5180 0.5690 23 0 0 0 26 25 H172 H_ALI 0 0.0000 -5.1620 0.4050 -0.6160 23 0 0 0 26 26 Q5 PSEUD 0 0.0000 -4.7995 0.9615 -0.0235 0 0 0 0 0 27 C6 C_ALI 0 0.0000 -2.2570 1.9070 0.9450 2 28 35 36 0 28 C12 C_XXX 0 0.0000 -2.9370 2.7970 -0.0100 27 29 0 0 0 29 C18 C_XXX 0 0.0000 -3.4780 3.5070 -0.7720 28 30 0 0 0 30 C23 C_ALI 0 0.0000 -4.1580 4.3980 -1.7270 29 31 32 33 0 31 H231 H_ALI 0 0.0000 -4.3440 5.3630 -1.2550 30 0 0 0 34 32 H232 H_ALI 0 0.0000 -3.5270 4.5380 -2.6050 30 0 0 0 34 33 H233 H_ALI 0 0.0000 -5.1060 3.9520 -2.0280 30 0 0 0 34 34 Q6 PSEUD 0 0.0000 -4.3257 4.6177 -1.9627 0 0 0 0 0 35 H61 H_ALI 0 0.0000 -2.8880 1.7660 1.8230 27 0 0 0 37 36 H62 H_ALI 0 0.0000 -1.3090 2.3520 1.2470 27 0 0 0 37 37 Q7 PSEUD 0 0.0000 -2.0985 2.0590 1.5350 0 0 0 0 0 38 C3 C_ARO 0 0.0000 -1.0800 -1.0720 -0.8120 1 39 40 0 0 39 N7 N_AMO 0 0.0000 -2.2720 -1.4560 -0.3500 3 38 0 0 0 40 N8 N_AMO 0 0.0000 -0.0960 -1.7010 -1.5570 38 41 43 0 0 41 C13 C_BYL 0 0.0000 1.0320 -1.0390 -1.8790 40 42 50 0 0 42 O19 O_BYL 0 0.0000 1.8860 -1.6060 -2.5330 41 0 0 0 0 43 C14 C_ALI 0 0.0000 -0.2850 -3.0840 -2.0000 40 44 45 46 0 44 H141 H_ALI 0 0.0000 0.5860 -3.4050 -2.5720 43 0 0 0 47 45 H142 H_ALI 0 0.0000 -0.4060 -3.7310 -1.1310 43 0 0 0 47 46 H143 H_ALI 0 0.0000 -1.1740 -3.1470 -2.6260 43 0 0 0 47 47 Q8 PSEUD 0 0.0000 -0.3313 -3.4277 -2.1097 0 0 0 0 0 48 C4 C_BYL 0 0.0000 0.3180 0.8940 -0.7620 1 49 50 0 0 49 O10 O_BYL 0 0.0000 0.5180 2.0450 -0.4150 48 0 0 0 0 50 N9 N_AMI 0 0.0000 1.2400 0.2300 -1.4900 41 48 51 0 0 51 C15 C_ALI 0 0.0000 2.4860 0.9040 -1.8620 50 52 53 55 0 52 H151 H_ALI 0 0.0000 2.8450 0.5060 -2.8100 51 0 0 0 54 53 H152 H_ALI 0 0.0000 2.3050 1.9740 -1.9620 51 0 0 0 54 54 Q9 PSEUD 0 0.0000 2.5750 1.2400 -2.3860 0 0 0 0 0 55 C20 C_ARO 0 0.0000 3.5230 0.6690 -0.7930 51 56 63 0 0 56 N25 N_AMO 0 0.0000 3.6080 1.5320 0.2080 55 57 0 0 0 57 C29 C_ARO 0 0.0000 4.4960 1.3880 1.1710 56 58 69 0 0 58 C32 C_ALI 0 0.0000 4.5750 2.3780 2.3040 57 59 60 61 0 59 H321 H_ALI 0 0.0000 5.2770 3.1710 2.0460 58 0 0 0 62 60 H322 H_ALI 0 0.0000 3.5890 2.8100 2.4780 58 0 0 0 62 61 H323 H_ALI 0 0.0000 4.9140 1.8710 3.2070 58 0 0 0 62 62 Q10 PSEUD 0 0.0000 4.5933 2.6173 2.5770 0 0 0 0 0 63 N24 N_AMI 0 0.0000 4.3040 -0.3800 -0.8970 55 64 0 0 0 64 C28 C_ARO 0 0.0000 5.2360 -0.6210 0.0320 63 65 69 0 0 65 C31 C_ARO 0 0.0000 6.0920 -1.7300 -0.0420 64 66 68 0 0 66 C34 C_ARO 0 0.0000 7.0230 -1.9270 0.9320 65 67 72 0 0 67 H34 H_ALI 0 0.0000 7.6810 -2.7820 0.8730 66 0 0 0 0 68 H31 H_ALI 0 0.0000 6.0120 -2.4240 -0.8660 65 0 0 0 0 69 C30 C_ARO 0 0.0000 5.3570 0.2770 1.1240 57 64 70 0 0 70 C33 C_ARO 0 0.0000 6.3310 0.0460 2.1070 69 71 72 0 0 71 H33 H_ALI 0 0.0000 6.4300 0.7200 2.9450 70 0 0 0 0 72 C35 C_ARO 0 0.0000 7.1380 -1.0480 2.0070 66 70 73 0 0 73 H35 H_ALI 0 0.0000 7.8880 -1.2260 2.7630 72 0 0 0 0