REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE" RESIDUE A1IN 31 114 1 114 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 95 97 101 105 0 31 PHI5 0 0 0.0000 97 101 105 112 0 1 C1 C_ALI 0 0.0000 2.0220 -0.8850 3.5490 2 91 92 94 0 2 C2 C_ALI 0 0.0000 2.0210 -0.0210 2.2830 1 3 24 90 0 3 C3 C_BYL 0 0.0000 3.3070 -0.2360 1.5270 2 4 5 0 0 4 O1 O_BYL 0 0.0000 3.3610 -1.0680 0.6470 3 0 0 0 0 5 N2 N_AMO 0 0.0000 4.3970 0.4960 1.8300 3 6 23 0 0 6 C4 C_ALI 0 0.0000 5.6470 0.2880 1.0950 5 7 12 17 0 7 C7 C_ALI 0 0.0000 6.7180 1.2400 1.6310 6 8 9 10 0 8 H71 H_ALI 0 0.0000 7.6490 1.0840 1.0840 7 0 0 0 11 9 H72 H_ALI 0 0.0000 6.3870 2.2700 1.4990 7 0 0 0 11 10 H73 H_ALI 0 0.0000 6.8820 1.0430 2.6900 7 0 0 0 11 11 Q1 PSEUD 0 0.0000 6.9727 1.4657 1.7577 0 0 0 0 22 12 C5 C_ALI 0 0.0000 6.1120 -1.1580 1.2800 6 13 14 15 0 13 H51 H_ALI 0 0.0000 6.2760 -1.3540 2.3390 12 0 0 0 16 14 H52 H_ALI 0 0.0000 5.3480 -1.8360 0.8980 12 0 0 0 16 15 H53 H_ALI 0 0.0000 7.0420 -1.3130 0.7330 12 0 0 0 16 16 Q2 PSEUD 0 0.0000 6.2220 -1.5010 1.3233 0 0 0 0 22 17 C6 C_ALI 0 0.0000 5.4170 0.5640 -0.3910 6 18 19 20 0 18 H61 H_ALI 0 0.0000 5.0860 1.5940 -0.5220 17 0 0 0 21 19 H62 H_ALI 0 0.0000 6.3470 0.4080 -0.9380 17 0 0 0 21 20 H63 H_ALI 0 0.0000 4.6540 -0.1140 -0.7730 17 0 0 0 21 21 Q3 PSEUD 0 0.0000 5.3623 0.6293 -0.7443 0 0 0 0 22 22 QQA PSEUD 0 0.0000 6.1857 0.1980 0.7789 0 0 0 0 0 23 HN2 H_AMI 0 0.0000 4.3530 1.1620 2.5340 5 0 0 0 0 24 N3 N_AMO 0 0.0000 0.8860 -0.3970 1.4320 2 25 33 0 0 25 C8 C_ALI 0 0.0000 -0.3390 -0.0170 2.1430 24 26 30 31 0 26 C9 C_ALI 0 0.0000 -0.4940 -0.8800 3.3990 25 27 28 94 0 27 H91 H_ALI 0 0.0000 -1.3620 -0.5480 3.9680 26 0 0 0 29 28 H92 H_ALI 0 0.0000 -0.6180 -1.9250 3.1130 26 0 0 0 29 29 Q4 PSEUD 0 0.0000 -0.9900 -1.2365 3.5405 0 0 0 0 0 30 H81 H_ALI 0 0.0000 -0.2820 1.0330 2.4290 25 0 0 0 32 31 H82 H_ALI 0 0.0000 -1.1990 -0.1680 1.4900 25 0 0 0 32 32 Q5 PSEUD 0 0.0000 -0.7405 0.4325 1.9595 0 0 0 0 0 33 C10 C_ALI 0 0.0000 0.9590 0.4470 0.2330 24 34 87 88 0 34 C11 C_ALI 0 0.0000 -0.1510 0.0490 -0.7390 33 35 84 86 0 35 C12 C_ALI 0 0.0000 0.0650 0.7570 -2.0780 34 36 81 82 0 36 C13 C_ALI 0 0.0000 -0.9310 0.2190 -3.1070 35 37 55 80 0 37 C14 C_ALI 0 0.0000 -2.3520 0.6080 -2.6930 36 38 52 53 0 38 C15 C_ARO 0 0.0000 -3.3330 0.0770 -3.7060 37 39 43 0 0 39 C16 C_ARO 0 0.0000 -3.8020 -1.2180 -3.6000 38 40 42 0 0 40 C17 C_ARO 0 0.0000 -4.7020 -1.7050 -4.5290 39 41 45 0 0 41 H17 H_ALI 0 0.0000 -5.0690 -2.7180 -4.4460 40 0 0 0 50 42 H16 H_ALI 0 0.0000 -3.4650 -1.8500 -2.7910 39 0 0 0 49 43 C20 C_ARO 0 0.0000 -3.7680 0.8870 -4.7370 38 44 48 0 0 44 C19 C_ARO 0 0.0000 -4.6650 0.3990 -5.6690 43 45 47 0 0 45 C18 C_ARO 0 0.0000 -5.1340 -0.8970 -5.5630 40 44 46 0 0 46 H18 H_ALI 0 0.0000 -5.8370 -1.2780 -6.2900 45 0 0 0 0 47 H19 H_ALI 0 0.0000 -5.0020 1.0300 -6.4780 44 0 0 0 50 48 H20 H_ALI 0 0.0000 -3.4020 1.9000 -4.8200 43 0 0 0 49 49 Q15 PSEUD 0 0.0000 -3.4335 0.0250 -3.8055 0 0 0 0 51 50 Q16 PSEUD 0 0.0000 -5.0355 -0.8440 -5.4620 0 0 0 0 51 51 QQB PSEUD 0 0.0000 -4.2345 -0.4095 -4.6337 0 0 0 0 0 52 H141 H_ALI 0 0.0000 -2.5740 0.1830 -1.7140 37 0 0 0 54 53 H142 H_ALI 0 0.0000 -2.4310 1.6940 -2.6440 37 0 0 0 54 54 Q6 PSEUD 0 0.0000 -2.5025 0.9385 -2.1790 0 0 0 0 0 55 C21 C_BYL 0 0.0000 -0.6230 0.8070 -4.4600 36 56 57 0 0 56 O3 O_BYL 0 0.0000 -1.0350 1.9110 -4.7490 55 0 0 0 0 57 N4 N_AMO 0 0.0000 0.1090 0.1070 -5.3480 55 58 79 0 0 58 C22 C_ALI 0 0.0000 0.5010 0.7210 -6.6190 57 59 70 78 0 59 C30 C_ALI 0 0.0000 1.9100 0.2510 -7.0360 58 60 64 69 0 60 C25 C_ALI 0 0.0000 1.7130 -0.9380 -7.9920 59 61 62 73 0 61 H251 H_ALI 0 0.0000 2.1430 -0.7080 -8.9670 60 0 0 0 63 62 H252 H_ALI 0 0.0000 2.1800 -1.8310 -7.5780 60 0 0 0 63 63 Q7 PSEUD 0 0.0000 2.1615 -1.2695 -8.2725 0 0 0 0 0 64 C29 C_ALI 0 0.0000 2.7000 -0.1920 -5.8030 59 65 66 67 0 65 H291 H_ALI 0 0.0000 3.6890 -0.5340 -6.1090 64 0 0 0 68 66 H292 H_ALI 0 0.0000 2.8030 0.6460 -5.1160 64 0 0 0 68 67 H293 H_ALI 0 0.0000 2.1720 -1.0060 -5.3070 64 0 0 0 68 68 Q8 PSEUD 0 0.0000 2.8880 -0.2980 -5.5107 0 0 0 0 0 69 H30 H_ALI 0 0.0000 2.4370 1.0570 -7.5470 59 0 0 0 0 70 C23 C_ALI 0 0.0000 -0.4170 0.2280 -7.7660 58 71 73 77 0 71 O4 O_HYD 0 0.0000 -1.7650 0.0860 -7.3140 70 72 0 0 0 72 HO4 H_OXY 0 0.0000 -2.2660 -0.2980 -8.0460 71 0 0 0 0 73 C24 C_ALI 0 0.0000 0.1900 -1.1500 -8.1230 60 70 74 75 0 74 H241 H_ALI 0 0.0000 -0.0690 -1.4280 -9.1450 73 0 0 0 76 75 H242 H_ALI 0 0.0000 -0.1500 -1.9110 -7.4210 73 0 0 0 76 76 Q9 PSEUD 0 0.0000 -0.1095 -1.6695 -8.2830 0 0 0 0 0 77 H23 H_ALI 0 0.0000 -0.3660 0.9060 -8.6180 70 0 0 0 0 78 H22 H_ALI 0 0.0000 0.4680 1.8080 -6.5440 58 0 0 0 0 79 HN4 H_AMI 0 0.0000 0.3770 -0.8020 -5.1460 57 0 0 0 0 80 H13 H_ALI 0 0.0000 -0.8510 -0.8660 -3.1560 36 0 0 0 0 81 H121 H_ALI 0 0.0000 1.0810 0.5740 -2.4260 35 0 0 0 83 82 H122 H_ALI 0 0.0000 -0.0870 1.8290 -1.9500 35 0 0 0 83 83 Q10 PSEUD 0 0.0000 0.4970 1.2015 -2.1880 0 0 0 0 0 84 O2 O_HYD 0 0.0000 -1.4180 0.4290 -0.1980 34 85 0 0 0 85 HO2 H_OXY 0 0.0000 -1.3940 1.3880 -0.0790 84 0 0 0 0 86 H11 H_ALI 0 0.0000 -0.1300 -1.0300 -0.8920 34 0 0 0 0 87 H101 H_ALI 0 0.0000 1.9280 0.3140 -0.2460 33 0 0 0 89 88 H102 H_ALI 0 0.0000 0.8350 1.4920 0.5180 33 0 0 0 89 89 Q11 PSEUD 0 0.0000 1.3815 0.9030 0.1360 0 0 0 0 0 90 H2 H_ALI 0 0.0000 1.9340 1.0280 2.5610 2 0 0 0 0 91 H11A H_ALI 0 0.0000 2.8190 -0.5560 4.2160 1 0 0 0 93 92 H12 H_ALI 0 0.0000 2.1760 -1.9300 3.2790 1 0 0 0 93 93 Q12 PSEUD 0 0.0000 2.4975 -1.2430 3.7475 0 0 0 0 0 94 N1 N_AMI 0 0.0000 0.7200 -0.7320 4.2170 1 26 95 0 0 95 C31 C_BYL 0 0.0000 0.6420 -0.4640 5.5350 94 96 97 0 0 96 O5 O_BYL 0 0.0000 1.6560 -0.3460 6.1910 95 0 0 0 0 97 C26 C_ALI 0 0.0000 -0.7030 -0.3110 6.1950 95 98 99 101 0 98 H261 H_ALI 0 0.0000 -1.2460 0.5090 5.7270 97 0 0 0 100 99 H262 H_ALI 0 0.0000 -1.2710 -1.2350 6.0800 97 0 0 0 100 100 Q13 PSEUD 0 0.0000 -1.2585 -0.3630 5.9035 0 0 0 0 0 101 C27 C_ALI 0 0.0000 -0.5110 -0.0130 7.6830 97 102 103 105 0 102 H271 H_ALI 0 0.0000 0.0310 -0.8340 8.1510 101 0 0 0 104 103 H272 H_ALI 0 0.0000 0.0560 0.9100 7.7980 101 0 0 0 104 104 Q14 PSEUD 0 0.0000 0.0435 0.0380 7.9745 0 0 0 0 0 105 C28 C_ARO 0 0.0000 -1.8570 0.1390 8.3430 101 106 112 0 0 106 C32 C_ARO 0 0.0000 -2.5010 -0.9610 8.8870 105 107 111 0 0 107 C33 C_ARO 0 0.0000 -3.7380 -0.7740 9.4840 106 108 110 0 0 108 C34 C_ARO 0 0.0000 -4.2850 0.4940 9.5170 107 109 114 0 0 109 H34 H_ALI 0 0.0000 -5.2480 0.6490 9.9790 108 0 0 0 0 110 H33 H_ALI 0 0.0000 -4.2680 -1.6090 9.9180 107 0 0 0 0 111 H32 H_ALI 0 0.0000 -2.0500 -1.9420 8.8470 106 0 0 0 0 112 C35 C_ARO 0 0.0000 -2.4630 1.3780 8.4180 105 113 114 0 0 113 H35 H_ALI 0 0.0000 -1.9680 2.2410 7.9960 112 0 0 0 0 114 N5 N_AMI 0 0.0000 -3.6440 1.5190 8.9890 108 112 0 0 0