REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE RESIDUE A3IN 36 127 1 127 1 CHI1 0 0 0.0000 91 1 2 3 90 2 CHI2 0 0 0.0000 1 2 3 4 23 3 CHI3 0 0 0.0000 2 3 5 6 23 4 CHI4 0 0 0.0000 3 5 6 7 21 5 CHI5 0 0 0.0000 5 6 7 8 11 6 CHI6 0 0 0.0000 5 6 12 13 16 7 CHI7 0 0 0.0000 5 6 17 18 21 8 CHI8 0 0 0.0000 1 2 24 25 89 9 CHI9 0 0 0.0000 2 24 25 26 32 10 CHI10 0 0 0.0000 24 25 26 27 29 11 CHI11 0 0 0.0000 2 24 33 34 89 12 CHI12 0 0 0.0000 24 33 34 35 86 13 CHI13 0 0 0.0000 33 34 35 36 83 14 CHI14 0 0 0.0000 34 35 36 37 80 15 CHI15 0 0 0.0000 35 36 37 38 54 16 CHI16 0 0 0.0000 36 37 38 39 49 17 CHI17 0 0 0.0000 35 36 55 56 79 18 CHI18 0 0 0.0000 36 55 57 58 79 19 CHI19 0 0 0.0000 55 57 58 59 78 20 CHI20 0 0 0.0000 57 58 59 60 69 21 CHI21 0 0 0.0000 58 59 60 61 63 22 CHI22 0 0 0.0000 58 59 64 65 68 23 CHI23 0 0 0.0000 57 58 70 71 77 24 CHI24 0 0 0.0000 58 70 71 72 72 25 CHI25 0 0 0.0000 58 70 73 74 76 26 CHI26 0 0 0.0000 33 34 84 85 85 27 PHI1 0 0 0.0000 2 1 94 95 0 28 PHI2 0 0 0.0000 1 94 95 97 0 29 PHI3 0 0 0.0000 94 95 97 101 0 30 PHI4 0 0 0.0000 99 104 105 114 0 31 CHI27 0 0 0.0000 104 105 106 107 113 32 CHI28 0 0 0.0000 105 106 107 108 110 33 PHI5 0 0 0.0000 104 105 114 118 0 34 PHI6 0 0 0.0000 105 114 118 122 0 35 PHI7 0 0 0.0000 114 118 122 123 0 36 PHI8 0 0 0.0000 118 122 123 126 0 1 C1 C_ALI 0 0.0000 3.3060 -0.6600 1.7470 2 91 92 94 0 2 C2 C_ALI 0 0.0000 3.0590 0.1380 0.4630 1 3 24 90 0 3 C3 C_BYL 0 0.0000 4.1120 -0.2110 -0.5560 2 4 5 0 0 4 O1 O_BYL 0 0.0000 3.9470 -1.1560 -1.2980 3 0 0 0 0 5 N2 N_AMO 0 0.0000 5.2370 0.5260 -0.6440 3 6 23 0 0 6 C4 C_ALI 0 0.0000 6.2600 0.1850 -1.6350 5 7 12 17 0 7 C7 C_ALI 0 0.0000 7.4250 1.1720 -1.5250 6 8 9 10 0 8 H71 H_ALI 0 0.0000 8.1860 0.9190 -2.2630 7 0 0 0 11 9 H72 H_ALI 0 0.0000 7.0630 2.1830 -1.7090 7 0 0 0 11 10 H73 H_ALI 0 0.0000 7.8550 1.1160 -0.5250 7 0 0 0 11 11 Q1 PSEUD 0 0.0000 7.7013 1.4060 -1.4990 0 0 0 0 22 12 C5 C_ALI 0 0.0000 6.7680 -1.2340 -1.3770 6 13 14 15 0 13 H51 H_ALI 0 0.0000 7.1980 -1.2890 -0.3770 12 0 0 0 16 14 H52 H_ALI 0 0.0000 5.9380 -1.9360 -1.4550 12 0 0 0 16 15 H53 H_ALI 0 0.0000 7.5290 -1.4870 -2.1150 12 0 0 0 16 16 Q2 PSEUD 0 0.0000 6.8883 -1.5707 -1.3157 0 0 0 0 22 17 C6 C_ALI 0 0.0000 5.6560 0.2640 -3.0390 6 18 19 20 0 18 H61 H_ALI 0 0.0000 5.2940 1.2750 -3.2230 17 0 0 0 21 19 H62 H_ALI 0 0.0000 6.4180 0.0110 -3.7760 17 0 0 0 21 20 H63 H_ALI 0 0.0000 4.8270 -0.4380 -3.1170 17 0 0 0 21 21 Q3 PSEUD 0 0.0000 5.5130 0.2827 -3.3720 0 0 0 0 22 22 QQA PSEUD 0 0.0000 6.7009 0.0393 -2.0622 0 0 0 0 0 23 HN2 H_AMI 0 0.0000 5.3680 1.2820 -0.0500 5 0 0 0 0 24 N3 N_AMO 0 0.0000 1.7330 -0.1880 -0.0710 2 25 33 0 0 25 C8 C_ALI 0 0.0000 0.7380 0.3190 0.8790 24 26 30 31 0 26 C9 C_ALI 0 0.0000 0.8320 -0.4680 2.1900 25 27 28 94 0 27 H91 H_ALI 0 0.0000 0.1470 -0.0420 2.9240 26 0 0 0 29 28 H92 H_ALI 0 0.0000 0.5760 -1.5120 2.0100 26 0 0 0 29 29 Q4 PSEUD 0 0.0000 0.3615 -0.7770 2.4670 0 0 0 0 0 30 H81 H_ALI 0 0.0000 0.9290 1.3740 1.0750 25 0 0 0 32 31 H82 H_ALI 0 0.0000 -0.2600 0.2030 0.4570 25 0 0 0 32 32 Q5 PSEUD 0 0.0000 0.3345 0.7885 0.7660 0 0 0 0 0 33 C10 C_ALI 0 0.0000 1.5720 0.5900 -1.3060 24 34 87 88 0 34 C11 C_ALI 0 0.0000 0.1910 0.3170 -1.9050 33 35 84 86 0 35 C12 C_ALI 0 0.0000 0.1300 0.8810 -3.3260 34 36 81 82 0 36 C13 C_ALI 0 0.0000 -1.1620 0.4220 -4.0020 35 37 55 80 0 37 C14 C_ALI 0 0.0000 -2.3570 1.1110 -3.3390 36 38 52 53 0 38 C15 C_ARO 0 0.0000 -3.6340 0.6230 -3.9730 37 39 43 0 0 39 C16 C_ARO 0 0.0000 -4.2190 -0.5500 -3.5340 38 40 42 0 0 40 C17 C_ARO 0 0.0000 -5.3900 -0.9980 -4.1160 39 41 45 0 0 41 H17 H_ALI 0 0.0000 -5.8470 -1.9140 -3.7740 40 0 0 0 50 42 H16 H_ALI 0 0.0000 -3.7610 -1.1160 -2.7370 39 0 0 0 49 43 C20 C_ARO 0 0.0000 -4.2230 1.3510 -4.9900 38 44 48 0 0 44 C19 C_ARO 0 0.0000 -5.3920 0.9010 -5.5740 43 45 47 0 0 45 C18 C_ARO 0 0.0000 -5.9770 -0.2720 -5.1360 40 44 46 0 0 46 H18 H_ALI 0 0.0000 -6.8910 -0.6220 -5.5910 45 0 0 0 0 47 H19 H_ALI 0 0.0000 -5.8500 1.4670 -6.3710 44 0 0 0 50 48 H20 H_ALI 0 0.0000 -3.7660 2.2680 -5.3320 43 0 0 0 49 49 Q18 PSEUD 0 0.0000 -3.7635 0.5760 -4.0345 0 0 0 0 51 50 Q19 PSEUD 0 0.0000 -5.8485 -0.2235 -5.0725 0 0 0 0 51 51 QQB PSEUD 0 0.0000 -4.8060 0.1762 -4.5535 0 0 0 0 0 52 H141 H_ALI 0 0.0000 -2.3670 0.8760 -2.2750 37 0 0 0 54 53 H142 H_ALI 0 0.0000 -2.2740 2.1890 -3.4720 37 0 0 0 54 54 Q6 PSEUD 0 0.0000 -2.3205 1.5325 -2.8735 0 0 0 0 0 55 C21 C_BYL 0 0.0000 -1.1210 0.7860 -5.4640 36 56 57 0 0 56 O3 O_BYL 0 0.0000 -1.4350 1.9020 -5.8200 55 0 0 0 0 57 N4 N_AMO 0 0.0000 -0.7350 -0.1270 -6.3760 55 58 79 0 0 58 C22 C_ALI 0 0.0000 -0.5870 0.2560 -7.7810 57 59 70 78 0 59 C30 C_ALI 0 0.0000 0.5870 -0.5040 -8.4300 58 60 64 69 0 60 C25 C_ALI 0 0.0000 -0.0150 -1.7390 -9.1220 59 61 62 73 0 61 H251 H_ALI 0 0.0000 0.1860 -1.7040 -10.1920 60 0 0 0 63 62 H252 H_ALI 0 0.0000 0.4030 -2.6490 -8.6920 60 0 0 0 63 63 Q7 PSEUD 0 0.0000 0.2945 -2.1765 -9.4420 0 0 0 0 0 64 C29 C_ALI 0 0.0000 1.5860 -0.9390 -7.3560 59 65 66 67 0 65 H291 H_ALI 0 0.0000 2.4060 -1.4860 -7.8230 64 0 0 0 68 66 H292 H_ALI 0 0.0000 1.9790 -0.0590 -6.8480 64 0 0 0 68 67 H293 H_ALI 0 0.0000 1.0850 -1.5830 -6.6340 64 0 0 0 68 68 Q8 PSEUD 0 0.0000 1.8233 -1.0427 -7.1017 0 0 0 0 0 69 H30 H_ALI 0 0.0000 1.0820 0.1300 -9.1650 59 0 0 0 0 70 C23 C_ALI 0 0.0000 -1.8250 -0.1900 -8.5990 58 71 73 77 0 71 O4 O_HYD 0 0.0000 -3.0240 -0.0350 -7.8360 70 72 0 0 0 72 HO4 H_OXY 0 0.0000 -3.7430 -0.4040 -8.3670 71 0 0 0 0 73 C24 C_ALI 0 0.0000 -1.5360 -1.6870 -8.8690 60 70 74 75 0 74 H241 H_ALI 0 0.0000 -2.0810 -2.0290 -9.7490 73 0 0 0 76 75 H242 H_ALI 0 0.0000 -1.7990 -2.2890 -7.9990 73 0 0 0 76 76 Q9 PSEUD 0 0.0000 -1.9400 -2.1590 -8.8740 0 0 0 0 0 77 H23 H_ALI 0 0.0000 -1.8900 0.3650 -9.5350 70 0 0 0 0 78 H22 H_ALI 0 0.0000 -0.4410 1.3320 -7.8680 58 0 0 0 0 79 HN4 H_AMI 0 0.0000 -0.5560 -1.0400 -6.1010 57 0 0 0 0 80 H13 H_ALI 0 0.0000 -1.2620 -0.6570 -3.8990 36 0 0 0 0 81 H121 H_ALI 0 0.0000 0.9860 0.5210 -3.8960 35 0 0 0 83 82 H122 H_ALI 0 0.0000 0.1520 1.9700 -3.2850 35 0 0 0 83 83 Q10 PSEUD 0 0.0000 0.5690 1.2455 -3.5905 0 0 0 0 0 84 O2 O_HYD 0 0.0000 -0.8090 0.9450 -1.1000 34 85 0 0 0 85 HO2 H_OXY 0 0.0000 -0.6150 1.8920 -1.1020 84 0 0 0 0 86 H11 H_ALI 0 0.0000 0.0130 -0.7570 -1.9330 34 0 0 0 0 87 H101 H_ALI 0 0.0000 2.3420 0.2990 -2.0210 33 0 0 0 89 88 H102 H_ALI 0 0.0000 1.6670 1.6520 -1.0810 33 0 0 0 89 89 Q11 PSEUD 0 0.0000 2.0045 0.9755 -1.5510 0 0 0 0 0 90 H2 H_ALI 0 0.0000 3.1080 1.2040 0.6850 2 0 0 0 0 91 H11A H_ALI 0 0.0000 4.2580 -0.3630 2.1870 1 0 0 0 93 92 H12 H_ALI 0 0.0000 3.3250 -1.7260 1.5180 1 0 0 0 93 93 Q12 PSEUD 0 0.0000 3.7915 -1.0445 1.8525 0 0 0 0 0 94 N1 N_AMI 0 0.0000 2.2130 -0.3750 2.6900 1 26 95 0 0 95 C31 C_BYL 0 0.0000 2.4690 -0.0380 3.9690 94 96 97 0 0 96 O5 O_BYL 0 0.0000 3.6100 0.1830 4.3230 95 0 0 0 0 97 C32 C_ARO 0 0.0000 1.3610 0.0590 4.9430 95 98 101 0 0 98 C36 C_ARO 0 0.0000 1.6020 0.5470 6.2260 97 99 100 0 0 99 N7 N_AMO 0 0.0000 0.6130 0.6350 7.0960 98 104 0 0 0 100 H36 H_ALI 0 0.0000 2.5990 0.8520 6.5090 98 0 0 0 0 101 N6 N_AMI 0 0.0000 0.1300 -0.3120 4.5920 97 102 0 0 0 102 C33 C_ARO 0 0.0000 -0.8540 -0.2290 5.4600 101 103 104 0 0 103 CL1 C_XXX 0 0.0000 -2.4560 -0.7200 5.0050 102 0 0 0 0 104 C34 C_ARO 0 0.0000 -0.6110 0.2600 6.7490 99 102 105 0 0 105 N5 N_AMI 0 0.0000 -1.6480 0.3530 7.6610 104 106 114 0 0 106 C37 C_ALI 0 0.0000 -2.0760 -1.0200 7.9550 105 107 111 112 0 107 C35 C_ALI 0 0.0000 -3.1420 -1.0030 9.0520 106 108 109 122 0 108 H351 H_ALI 0 0.0000 -3.4950 -2.0180 9.2300 107 0 0 0 110 109 H352 H_ALI 0 0.0000 -3.9770 -0.3790 8.7360 107 0 0 0 110 110 Q13 PSEUD 0 0.0000 -3.7360 -1.1985 8.9830 0 0 0 0 0 111 H371 H_ALI 0 0.0000 -2.4900 -1.4720 7.0540 106 0 0 0 113 112 H372 H_ALI 0 0.0000 -1.2180 -1.6030 8.2920 106 0 0 0 113 113 Q14 PSEUD 0 0.0000 -1.8540 -1.5375 7.6730 0 0 0 0 0 114 C26 C_ALI 0 0.0000 -1.0740 0.8950 8.8990 105 115 116 118 0 115 H261 H_ALI 0 0.0000 -0.2390 0.2710 9.2150 114 0 0 0 117 116 H262 H_ALI 0 0.0000 -0.7210 1.9100 8.7210 114 0 0 0 117 117 Q15 PSEUD 0 0.0000 -0.4800 1.0905 8.9680 0 0 0 0 0 118 C27 C_ALI 0 0.0000 -2.1400 0.9120 9.9960 114 119 120 122 0 119 H271 H_ALI 0 0.0000 -1.7260 1.3640 10.8970 118 0 0 0 121 120 H272 H_ALI 0 0.0000 -2.9980 1.4940 9.6590 118 0 0 0 121 121 Q16 PSEUD 0 0.0000 -2.3620 1.4290 10.2780 0 0 0 0 0 122 N8 N_AMI 0 0.0000 -2.5680 -0.4610 10.2900 107 118 123 0 0 123 C28 C_ALI 0 0.0000 -3.6680 -0.3620 11.2570 122 124 125 126 0 124 H281 H_ALI 0 0.0000 -4.0220 -1.3620 11.5090 123 0 0 0 127 125 H282 H_ALI 0 0.0000 -3.3150 0.1350 12.1600 123 0 0 0 127 126 H283 H_ALI 0 0.0000 -4.4850 0.2120 10.8210 123 0 0 0 127 127 Q17 PSEUD 0 0.0000 -3.9407 -0.3383 11.4967 0 0 0 0 0