REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE RESIDUE D1R 21 100 1 100 1 CHI1 0 0 0.0000 20 1 2 3 19 2 CHI2 0 0 0.0000 1 2 3 4 16 3 CHI3 0 0 0.0000 2 3 4 5 8 4 CHI4 0 0 0.0000 2 3 9 10 16 5 CHI5 0 0 0.0000 3 9 10 11 13 6 PHI1 0 0 0.0000 2 1 23 24 0 7 PHI2 0 0 0.0000 1 23 24 26 0 8 PHI3 0 0 0.0000 23 24 26 28 0 9 PHI4 0 0 0.0000 24 26 28 48 0 10 CHI6 0 0 0.0000 26 28 29 30 46 11 CHI7 0 0 0.0000 28 29 30 31 41 12 PHI5 0 0 0.0000 26 28 48 50 0 13 PHI6 0 0 0.0000 28 48 50 52 0 14 PHI7 0 0 0.0000 48 50 52 76 0 15 CHI8 0 0 0.0000 50 52 53 54 74 16 CHI9 0 0 0.0000 52 53 54 55 71 17 CHI10 0 0 0.0000 53 54 55 56 66 18 PHI8 0 0 0.0000 50 52 76 80 0 19 PHI9 0 0 0.0000 52 76 80 84 0 20 PHI10 0 0 0.0000 76 80 84 87 0 21 PHI11 0 0 0.0000 80 84 87 96 0 1 C39 C_ALI 0 0.0000 -0.9490 -0.0190 4.2190 2 20 21 23 0 2 C40 C_ALI 0 0.0000 -1.2730 -1.1050 5.2500 1 3 17 18 0 3 N4 N_AMO 0 0.0000 -1.9540 -2.2470 4.6290 2 4 9 0 0 4 C33 C_ALI 0 0.0000 -2.2840 -3.2570 5.6350 3 5 6 7 0 5 H331 H_ALI 0 0.0000 -3.2170 -2.9930 6.1400 4 0 0 0 8 6 H332 H_ALI 0 0.0000 -1.4860 -3.3230 6.3800 4 0 0 0 8 7 H333 H_ALI 0 0.0000 -2.4040 -4.2360 5.1630 4 0 0 0 8 8 Q1 PSEUD 0 0.0000 -2.3690 -3.5173 5.8943 0 0 0 0 0 9 C49 C_ALI 0 0.0000 -1.1100 -2.8260 3.5760 3 10 14 15 0 10 C48 C_ALI 0 0.0000 -0.8160 -1.7860 2.4980 9 11 12 23 0 11 H481 H_ALI 0 0.0000 -0.1550 -2.2190 1.7400 10 0 0 0 13 12 H482 H_ALI 0 0.0000 -1.7410 -1.4930 1.9870 10 0 0 0 13 13 Q2 PSEUD 0 0.0000 -0.9480 -1.8560 1.8635 0 0 0 0 0 14 H491 H_ALI 0 0.0000 -1.6240 -3.6760 3.1110 9 0 0 0 16 15 H492 H_ALI 0 0.0000 -0.1680 -3.2010 3.9970 9 0 0 0 16 16 Q3 PSEUD 0 0.0000 -0.8960 -3.4385 3.5540 0 0 0 0 0 17 H401 H_ALI 0 0.0000 -0.3450 -1.4330 5.7370 2 0 0 0 19 18 H402 H_ALI 0 0.0000 -1.9120 -0.6670 6.0260 2 0 0 0 19 19 Q4 PSEUD 0 0.0000 -1.1285 -1.0500 5.8815 0 0 0 0 0 20 H391 H_ALI 0 0.0000 -1.8700 0.4430 3.8420 1 0 0 0 22 21 H392 H_ALI 0 0.0000 -0.3670 0.7550 4.7230 1 0 0 0 22 22 Q5 PSEUD 0 0.0000 -1.1185 0.5990 4.2825 0 0 0 0 0 23 N3 N_AMI 0 0.0000 -0.2350 -0.5640 3.0570 1 10 24 0 0 24 C8 C_BYL 0 0.0000 0.8200 0.0640 2.3710 23 25 26 0 0 25 O2 O_BYL 0 0.0000 1.3820 -0.4460 1.3960 24 0 0 0 0 26 N1 N_AMI 0 0.0000 1.1900 1.3130 2.8570 24 27 28 0 0 27 HN1 H_AMI 0 0.0000 0.6660 1.7650 3.5940 26 0 0 0 0 28 C9 C_ALI 0 0.0000 2.2510 2.0890 2.2550 26 29 47 48 0 29 C10 C_ALI 0 0.0000 2.0500 3.5960 2.4530 28 30 44 45 0 30 C11 C_ARO 0 0.0000 1.0480 4.1830 1.4890 29 31 35 0 0 31 C12 C_ARO 0 0.0000 1.4850 4.6690 0.2670 30 32 34 0 0 32 C13 C_ARO 0 0.0000 0.5590 5.2110 -0.6240 31 33 37 0 0 33 H13 H_ALI 0 0.0000 0.8900 5.5950 -1.5850 32 0 0 0 42 34 H12 H_ALI 0 0.0000 2.5360 4.6350 -0.0090 31 0 0 0 41 35 C16 C_ARO 0 0.0000 -0.2910 4.2250 1.8430 30 36 40 0 0 36 C15 C_ARO 0 0.0000 -1.2170 4.7670 0.9520 35 37 39 0 0 37 C14 C_ARO 0 0.0000 -0.7920 5.2610 -0.2810 32 36 38 0 0 38 H14 H_ALI 0 0.0000 -1.5140 5.6830 -0.9750 37 0 0 0 0 39 H15 H_ALI 0 0.0000 -2.2700 4.8050 1.2190 36 0 0 0 42 40 H16 H_ALI 0 0.0000 -0.6320 3.8430 2.8020 35 0 0 0 41 41 Q11 PSEUD 0 0.0000 0.9520 4.2390 1.3965 0 0 0 0 43 42 Q12 PSEUD 0 0.0000 -0.6900 5.2000 -0.1830 0 0 0 0 43 43 QQA PSEUD 0 0.0000 0.1310 4.7195 0.6068 0 0 0 0 0 44 H101 H_ALI 0 0.0000 3.0090 4.1240 2.3560 29 0 0 0 46 45 H102 H_ALI 0 0.0000 1.7080 3.8060 3.4750 29 0 0 0 46 46 Q6 PSEUD 0 0.0000 2.3585 3.9650 2.9155 0 0 0 0 0 47 H9 H_ALI 0 0.0000 2.2660 1.8270 1.1910 28 0 0 0 0 48 C17 C_BYL 0 0.0000 3.5580 1.6400 2.8980 28 49 50 0 0 49 O3 O_BYL 0 0.0000 3.6430 1.3030 4.0770 48 0 0 0 0 50 N2 N_AMI 0 0.0000 4.6040 1.6130 1.9850 48 51 52 0 0 51 HN2 H_AMI 0 0.0000 4.4200 1.9150 1.0330 50 0 0 0 0 52 C18 C_ALI 0 0.0000 5.9400 1.1780 2.3220 50 53 75 76 0 53 C19 C_ALI 0 0.0000 6.5520 2.0850 3.4040 52 54 72 73 0 54 C20 C_ALI 0 0.0000 6.5810 3.5610 2.9860 53 55 69 70 0 55 C21 C_ARO 0 0.0000 7.1280 4.4380 4.0840 54 56 60 0 0 56 C22 C_ARO 0 0.0000 6.2590 4.9790 5.0200 55 57 59 0 0 57 C23 C_ARO 0 0.0000 6.7650 5.7900 6.0360 56 58 62 0 0 58 H23 H_ALI 0 0.0000 6.0930 6.2190 6.7730 57 0 0 0 67 59 H22 H_ALI 0 0.0000 5.1910 4.7830 4.9740 56 0 0 0 66 60 C26 C_ARO 0 0.0000 8.4900 4.6870 4.1410 55 61 65 0 0 61 C25 C_ARO 0 0.0000 8.9960 5.4980 5.1570 60 62 64 0 0 62 C24 C_ARO 0 0.0000 8.1330 6.0500 6.1040 57 61 63 0 0 63 H24 H_ALI 0 0.0000 8.5270 6.6810 6.8950 62 0 0 0 0 64 H25 H_ALI 0 0.0000 10.0620 5.7000 5.2110 61 0 0 0 67 65 H26 H_ALI 0 0.0000 9.1700 4.2620 3.4080 60 0 0 0 66 66 Q13 PSEUD 0 0.0000 7.1805 4.5225 4.1910 0 0 0 0 68 67 Q14 PSEUD 0 0.0000 8.0775 5.9595 5.9920 0 0 0 0 68 68 QQB PSEUD 0 0.0000 7.6290 5.2410 5.0915 0 0 0 0 0 69 H201 H_ALI 0 0.0000 7.1900 3.6960 2.0840 54 0 0 0 71 70 H202 H_ALI 0 0.0000 5.5700 3.8970 2.7210 54 0 0 0 71 71 Q7 PSEUD 0 0.0000 6.3800 3.7965 2.4025 0 0 0 0 0 72 H191 H_ALI 0 0.0000 7.5710 1.7500 3.6390 53 0 0 0 74 73 H192 H_ALI 0 0.0000 5.9680 1.9870 4.3290 53 0 0 0 74 74 Q8 PSEUD 0 0.0000 6.7695 1.8685 3.9840 0 0 0 0 0 75 H18 H_ALI 0 0.0000 6.5400 1.2670 1.4100 52 0 0 0 0 76 C27 C_ALI 0 0.0000 5.9260 -0.2850 2.8000 52 77 78 80 0 77 H271 H_ALI 0 0.0000 6.9570 -0.6050 3.0030 76 0 0 0 79 78 H272 H_ALI 0 0.0000 5.3820 -0.3490 3.7510 76 0 0 0 79 79 Q9 PSEUD 0 0.0000 6.1695 -0.4770 3.3770 0 0 0 0 0 80 C28 C_ALI 0 0.0000 5.3130 -1.2710 1.8120 76 81 82 84 0 81 H281 H_ALI 0 0.0000 4.2700 -1.0360 1.5810 80 0 0 0 83 82 H282 H_ALI 0 0.0000 5.8790 -1.2550 0.8750 80 0 0 0 83 83 Q10 PSEUD 0 0.0000 5.0745 -1.1455 1.2280 0 0 0 0 0 84 S1 S_XXX 0 0.0000 5.3660 -2.9400 2.3820 80 85 86 87 0 85 O4 O_XXX 0 0.0000 4.5050 -3.0650 3.5450 84 0 0 0 0 86 O5 O_XXX 0 0.0000 6.7610 -3.3400 2.4590 84 0 0 0 0 87 CAB C_ARO 0 0.0000 4.6080 -3.8640 1.0780 84 88 96 0 0 88 CAA C_ARO 0 0.0000 5.3970 -4.3610 0.0560 87 89 95 0 0 89 CAC C_ARO 0 0.0000 4.7990 -5.0890 -0.9720 88 90 94 0 0 90 CAE C_ARO 0 0.0000 3.4210 -5.3080 -0.9620 89 91 93 0 0 91 CAF C_ARO 0 0.0000 2.6420 -4.7990 0.0770 90 92 96 0 0 92 HAF H_ALI 0 0.0000 1.5700 -4.9710 0.0860 91 0 0 0 99 93 HAE H_ALI 0 0.0000 2.9560 -5.8760 -1.7620 90 0 0 0 0 94 HAC H_ALI 0 0.0000 5.4050 -5.4850 -1.7820 89 0 0 0 99 95 HAA H_ALI 0 0.0000 6.4710 -4.1970 0.0380 88 0 0 0 98 96 CAD C_ARO 0 0.0000 3.2400 -4.0710 1.1060 87 91 97 0 0 97 HAD H_ALI 0 0.0000 2.6230 -3.6780 1.9090 96 0 0 0 98 98 Q15 PSEUD 0 0.0000 4.5470 -3.9375 0.9735 0 0 0 0 100 99 Q16 PSEUD 0 0.0000 3.4875 -5.2280 -0.8480 0 0 0 0 100 100 QQC PSEUD 0 0.0000 4.0173 -4.5828 0.0628 0 0 0 0 0