REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide" RESIDUE A316 28 98 1 98 1 CHI1 0 0 0.0000 1 2 5 6 9 2 CHI2 0 0 0.0000 12 13 14 15 26 3 CHI3 0 0 0.0000 13 14 15 16 23 4 CHI4 0 0 0.0000 14 15 16 17 20 5 CHI5 0 0 0.0000 12 13 27 28 39 6 CHI6 0 0 0.0000 13 27 28 29 36 7 CHI7 0 0 0.0000 27 28 29 30 33 8 PHI1 0 0 0.0000 3 43 44 46 0 9 PHI2 0 0 0.0000 43 44 46 48 0 10 PHI3 0 0 0.0000 44 46 48 65 0 11 CHI8 0 0 0.0000 46 48 49 50 63 12 CHI9 0 0 0.0000 48 49 50 51 60 13 CHI10 0 0 0.0000 50 51 52 53 53 14 CHI11 0 0 0.0000 49 50 55 56 60 15 CHI12 0 0 0.0000 55 56 57 58 58 16 PHI4 0 0 0.0000 46 48 65 69 0 17 CHI13 0 0 0.0000 48 65 66 67 67 18 PHI5 0 0 0.0000 48 65 69 81 0 19 CHI14 0 0 0.0000 65 69 70 71 79 20 CHI15 0 0 0.0000 69 70 71 72 78 21 CHI16 0 0 0.0000 70 71 72 73 75 22 PHI6 0 0 0.0000 65 69 81 83 0 23 PHI7 0 0 0.0000 69 81 83 84 0 24 PHI8 0 0 0.0000 81 83 84 88 0 25 PHI9 0 0 0.0000 83 84 88 97 0 26 CHI17 0 0 0.0000 88 89 90 91 95 27 CHI18 0 0 0.0000 90 91 92 93 93 28 PHI10 0 0 0.0000 84 88 97 98 0 1 C1 C_ARO 0 0.0000 -4.2100 1.8440 -1.3120 2 10 11 0 0 2 C6 C_ARO 0 0.0000 -2.9840 2.0600 -1.9100 1 3 5 0 0 3 C5 C_ARO 0 0.0000 -1.8890 1.3010 -1.5460 2 4 43 0 0 4 H5 H_ALI 0 0.0000 -0.9330 1.4750 -2.0180 3 0 0 0 0 5 C14 C_ALI 0 0.0000 -2.8400 3.1280 -2.9630 2 6 7 8 0 6 H14 H_ALI 0 0.0000 -2.5720 4.0720 -2.4900 5 0 0 0 9 7 H14A H_ALI 0 0.0000 -2.0600 2.8400 -3.6680 5 0 0 0 9 8 H14B H_ALI 0 0.0000 -3.7850 3.2430 -3.4940 5 0 0 0 9 9 Q1 PSEUD 0 0.0000 -2.8057 3.3850 -3.2173 0 0 0 0 0 10 H1 H_ALI 0 0.0000 -5.0630 2.4380 -1.6040 1 0 0 0 0 11 C2 C_ARO 0 0.0000 -4.3500 0.8560 -0.3350 1 12 41 0 0 12 C7 C_BYL 0 0.0000 -5.6630 0.6270 0.3050 11 13 40 0 0 13 N1 N_AMO 0 0.0000 -6.3840 1.6730 0.7570 12 14 27 0 0 14 C8 C_ALI 0 0.0000 -7.6280 1.4400 1.4950 13 15 24 25 0 15 C12 C_ALI 0 0.0000 -7.3070 1.1930 2.9700 14 16 21 22 0 16 C13 C_ALI 0 0.0000 -8.6060 0.9510 3.7410 15 17 18 19 0 17 H13 H_ALI 0 0.0000 -8.3780 0.7750 4.7920 16 0 0 0 20 18 H13A H_ALI 0 0.0000 -9.2510 1.8250 3.6510 16 0 0 0 20 19 H13B H_ALI 0 0.0000 -9.1160 0.0790 3.3300 16 0 0 0 20 20 Q2 PSEUD 0 0.0000 -8.9150 0.8930 3.9243 0 0 0 0 0 21 H12 H_ALI 0 0.0000 -6.6620 0.3190 3.0610 15 0 0 0 23 22 H12A H_ALI 0 0.0000 -6.7980 2.0650 3.3820 15 0 0 0 23 23 Q3 PSEUD 0 0.0000 -6.7300 1.1920 3.2215 0 0 0 0 0 24 H8 H_ALI 0 0.0000 -8.2730 2.3140 1.4050 14 0 0 0 26 25 H8A H_ALI 0 0.0000 -8.1370 0.5690 1.0830 14 0 0 0 26 26 Q4 PSEUD 0 0.0000 -8.2050 1.4415 1.2440 0 0 0 0 0 27 C9 C_ALI 0 0.0000 -5.9230 3.0410 0.5110 13 28 37 38 0 28 C10 C_ALI 0 0.0000 -6.6790 3.6260 -0.6840 27 29 34 35 0 29 C11 C_ALI 0 0.0000 -6.0960 4.9970 -1.0350 28 30 31 32 0 30 H11 H_ALI 0 0.0000 -6.6350 5.4140 -1.8860 29 0 0 0 33 31 H11A H_ALI 0 0.0000 -6.1980 5.6640 -0.1790 29 0 0 0 33 32 H11B H_ALI 0 0.0000 -5.0420 4.8900 -1.2880 29 0 0 0 33 33 Q5 PSEUD 0 0.0000 -5.9583 5.3227 -1.1177 0 0 0 0 0 34 H10 H_ALI 0 0.0000 -6.5770 2.9590 -1.5400 28 0 0 0 36 35 H10A H_ALI 0 0.0000 -7.7330 3.7340 -0.4300 28 0 0 0 36 36 Q6 PSEUD 0 0.0000 -7.1550 3.3465 -0.9850 0 0 0 0 0 37 H9 H_ALI 0 0.0000 -6.1110 3.6520 1.3930 27 0 0 0 39 38 H9A H_ALI 0 0.0000 -4.8550 3.0320 0.2960 27 0 0 0 39 39 Q7 PSEUD 0 0.0000 -5.4830 3.3420 0.8445 0 0 0 0 0 40 O1 O_BYL 0 0.0000 -6.0930 -0.5040 0.4230 12 0 0 0 0 41 C3 C_ARO 0 0.0000 -3.2490 0.0870 0.0360 11 42 43 0 0 42 H3 H_ALI 0 0.0000 -3.3520 -0.6780 0.7920 41 0 0 0 0 43 C4 C_ARO 0 0.0000 -2.0150 0.3100 -0.5700 3 41 44 0 0 44 C15 C_BYL 0 0.0000 -0.8410 -0.5020 -0.1820 43 45 46 0 0 45 O2 O_BYL 0 0.0000 -0.9530 -1.3640 0.6670 44 0 0 0 0 46 N2 N_AMI 0 0.0000 0.3520 -0.2850 -0.7710 44 47 48 0 0 47 HN2 H_AMI 0 0.0000 0.4400 0.4030 -1.4490 46 0 0 0 0 48 C16 C_ALI 0 0.0000 1.5150 -1.0890 -0.3860 46 49 64 65 0 49 C18 C_ALI 0 0.0000 1.5210 -2.3920 -1.1870 48 50 61 62 0 50 C19 C_ARO 0 0.0000 0.3210 -3.2210 -0.8080 49 51 55 0 0 51 C20 C_ARO 0 0.0000 -0.8670 -3.0720 -1.4990 50 52 54 0 0 52 C21 C_ARO 0 0.0000 -1.9700 -3.8330 -1.1520 51 53 57 0 0 53 F1 X_XXX 0 0.0000 -3.1320 -3.6870 -1.8270 52 0 0 0 0 54 H20 H_ALI 0 0.0000 -0.9340 -2.3620 -2.3100 51 0 0 0 0 55 C24 C_ARO 0 0.0000 0.4100 -4.1330 0.2260 50 56 60 0 0 56 C23 C_ARO 0 0.0000 -0.6940 -4.8910 0.5790 55 57 59 0 0 57 C22 C_ARO 0 0.0000 -1.8840 -4.7430 -0.1120 52 56 58 0 0 58 H22 H_ALI 0 0.0000 -2.7440 -5.3370 0.1590 57 0 0 0 0 59 F2 X_XXX 0 0.0000 -0.6080 -5.7780 1.5940 56 0 0 0 0 60 H24 H_ALI 0 0.0000 1.3400 -4.2510 0.7620 55 0 0 0 0 61 H18 H_ALI 0 0.0000 1.4830 -2.1640 -2.2530 49 0 0 0 63 62 H18A H_ALI 0 0.0000 2.4310 -2.9500 -0.9670 49 0 0 0 63 63 Q8 PSEUD 0 0.0000 1.9570 -2.5570 -1.6100 0 0 0 0 0 64 H16 H_ALI 0 0.0000 1.4620 -1.3170 0.6780 48 0 0 0 0 65 C17 C_ALI 0 0.0000 2.7960 -0.3050 -0.6780 48 66 68 69 0 66 O3 O_HYD 0 0.0000 2.9220 -0.1060 -2.0870 65 67 0 0 0 67 HO3 H_OXY 0 0.0000 2.9680 -0.9270 -2.5970 66 0 0 0 0 68 H17 H_ALI 0 0.0000 2.7510 0.6630 -0.1770 65 0 0 0 0 69 C25 C_ALI 0 0.0000 4.0030 -1.0900 -0.1620 65 70 80 81 0 70 N3 N_AMO 0 0.0000 3.8650 -1.3040 1.2850 69 71 79 0 0 71 C29 C_ALI 0 0.0000 5.1130 -1.8530 1.8380 70 72 76 77 0 72 C28 C_ALI 0 0.0000 6.1940 -0.7730 1.7780 71 73 74 83 0 73 H28 H_ALI 0 0.0000 7.1600 -1.2140 2.0250 72 0 0 0 75 74 H28A H_ALI 0 0.0000 5.9620 0.0120 2.4980 72 0 0 0 75 75 Q9 PSEUD 0 0.0000 6.5610 -0.6010 2.2615 0 0 0 0 0 76 H29 H_ALI 0 0.0000 5.4250 -2.7160 1.2500 71 0 0 0 78 77 H29A H_ALI 0 0.0000 4.9520 -2.1530 2.8740 71 0 0 0 78 78 Q10 PSEUD 0 0.0000 5.1885 -2.4345 2.0620 0 0 0 0 0 79 HN3 H_AMI 0 0.0000 3.6070 -0.4480 1.7530 70 0 0 0 0 80 H25 H_ALI 0 0.0000 4.0480 -2.0560 -0.6660 69 0 0 0 0 81 C26 C_BYL 0 0.0000 5.2600 -0.3190 -0.4490 69 82 83 0 0 82 O4 O_BYL 0 0.0000 5.3780 0.2170 -1.5310 81 0 0 0 0 83 N4 N_AMI 0 0.0000 6.2530 -0.1980 0.4380 72 81 84 0 0 84 C27 C_ALI 0 0.0000 7.4540 0.5450 0.0470 83 85 86 88 0 85 H27 H_ALI 0 0.0000 8.3180 0.1410 0.5740 84 0 0 0 87 86 H27A H_ALI 0 0.0000 7.6070 0.4490 -1.0280 84 0 0 0 87 87 Q11 PSEUD 0 0.0000 7.9625 0.2950 -0.2270 0 0 0 0 0 88 C31 C_ARO 0 0.0000 7.2830 2.0000 0.4010 84 89 97 0 0 89 C32 C_ARO 0 0.0000 7.6830 2.4600 1.6420 88 90 96 0 0 90 C33 C_ARO 0 0.0000 7.5260 3.7940 1.9670 89 91 95 0 0 91 C34 C_ARO 0 0.0000 6.9700 4.6680 1.0520 90 92 94 0 0 92 C35 C_ARO 0 0.0000 6.5700 4.2080 -0.1890 91 93 97 0 0 93 H35 H_ALI 0 0.0000 6.1350 4.8910 -0.9040 92 0 0 0 0 94 H34 H_ALI 0 0.0000 6.8470 5.7100 1.3070 91 0 0 0 0 95 H33 H_ALI 0 0.0000 7.8380 4.1540 2.9370 90 0 0 0 0 96 H32 H_ALI 0 0.0000 8.1180 1.7770 2.3570 89 0 0 0 0 97 C36 C_ARO 0 0.0000 6.7310 2.8740 -0.5160 88 92 98 0 0 98 H36 H_ALI 0 0.0000 6.4230 2.5160 -1.4870 97 0 0 0 0