REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE" RESIDUE MK1 24 107 1 107 1 CHI1 0 0 0.0000 29 1 2 3 28 2 CHI2 0 0 0.0000 1 2 3 4 25 3 CHI3 0 0 0.0000 2 3 4 5 24 4 CHI4 0 0 0.0000 3 4 6 7 24 5 CHI5 0 0 0.0000 4 6 7 8 22 6 CHI6 0 0 0.0000 6 7 8 9 12 7 CHI7 0 0 0.0000 6 7 13 14 17 8 CHI8 0 0 0.0000 6 7 18 19 22 9 CHI9 0 0 0.0000 2 1 29 30 93 10 CHI10 0 0 0.0000 1 29 30 31 90 11 CHI11 0 0 0.0000 29 30 31 32 87 12 CHI12 0 0 0.0000 30 31 32 33 87 13 CHI13 0 0 0.0000 31 32 33 34 84 14 CHI14 0 0 0.0000 32 33 34 35 35 15 CHI15 0 0 0.0000 32 33 36 37 83 16 CHI16 0 0 0.0000 33 36 37 38 80 17 CHI17 0 0 0.0000 36 37 38 39 55 18 CHI18 0 0 0.0000 37 38 39 40 50 19 CHI19 0 0 0.0000 36 37 56 57 79 20 CHI20 0 0 0.0000 37 56 58 59 79 21 CHI21 0 0 0.0000 56 58 59 60 78 22 CHI22 0 0 0.0000 59 60 61 62 62 23 PHI1 0 0 0.0000 2 1 94 98 0 24 PHI2 0 0 0.0000 1 94 98 106 0 1 N1 N_AMI 0 0.0000 0.0110 0.0440 5.5400 2 29 94 0 0 2 C1 C_ALI 0 0.0000 1.2280 -0.4290 4.8710 1 3 26 27 0 3 C2 C_ALI 0 0.0000 1.3870 0.2830 3.5270 2 4 25 31 0 4 C3 C_BYL 0 0.0000 2.6750 -0.1510 2.8780 3 5 6 0 0 5 O1 O_BYL 0 0.0000 2.6540 -0.6930 1.7930 4 0 0 0 0 6 N2 N_AMO 0 0.0000 3.8510 0.0600 3.5020 4 7 24 0 0 7 C4 C_ALI 0 0.0000 5.1030 -0.3620 2.8710 6 8 13 18 0 8 C5 C_ALI 0 0.0000 6.2790 -0.0060 3.7820 7 9 10 11 0 9 H51 H_ALI 0 0.0000 7.2110 -0.3210 3.3120 8 0 0 0 12 10 H52 H_ALI 0 0.0000 6.3000 1.0710 3.9440 8 0 0 0 12 11 H53 H_ALI 0 0.0000 6.1650 -0.5150 4.7390 8 0 0 0 12 12 Q1 PSEUD 0 0.0000 6.5587 0.0783 3.9983 0 0 0 0 23 13 C6 C_ALI 0 0.0000 5.2640 0.3520 1.5280 7 14 15 16 0 14 H61 H_ALI 0 0.0000 5.2850 1.4300 1.6900 13 0 0 0 17 15 H62 H_ALI 0 0.0000 6.1950 0.0370 1.0580 13 0 0 0 17 16 H63 H_ALI 0 0.0000 4.4250 0.0980 0.8780 13 0 0 0 17 17 Q2 PSEUD 0 0.0000 5.3017 0.5217 1.2087 0 0 0 0 23 18 C7 C_ALI 0 0.0000 5.0730 -1.8750 2.6430 7 19 20 21 0 19 H71 H_ALI 0 0.0000 4.9590 -2.3840 3.6000 18 0 0 0 22 20 H72 H_ALI 0 0.0000 4.2350 -2.1280 1.9940 18 0 0 0 22 21 H73 H_ALI 0 0.0000 6.0050 -2.1900 2.1730 18 0 0 0 22 22 Q3 PSEUD 0 0.0000 5.0663 -2.2340 2.5890 0 0 0 0 23 23 QQA PSEUD 0 0.0000 5.6422 -0.5447 2.5987 0 0 0 0 0 24 HN2 H_AMI 0 0.0000 3.8670 0.4940 4.3700 6 0 0 0 0 25 H2 H_ALI 0 0.0000 1.4090 1.3610 3.6890 3 0 0 0 0 26 H11A H_ALI 0 0.0000 1.1550 -1.5040 4.7040 2 0 0 0 28 27 H12 H_ALI 0 0.0000 2.0940 -0.2170 5.4990 2 0 0 0 28 28 Q4 PSEUD 0 0.0000 1.6245 -0.8605 5.1015 0 0 0 0 0 29 C9 C_ALI 0 0.0000 -1.1160 -0.2940 4.6640 1 30 91 92 0 30 C8 C_ALI 0 0.0000 -0.9570 0.4180 3.3210 29 31 88 89 0 31 N3 N_AMO 0 0.0000 0.2590 -0.0560 2.6520 3 30 32 0 0 32 C10 C_ALI 0 0.0000 0.4130 0.7500 1.4340 31 33 85 86 0 33 C11 C_ALI 0 0.0000 -0.5600 0.2500 0.3650 32 34 36 84 0 34 O2 O_HYD 0 0.0000 -1.9010 0.5110 0.7830 33 35 0 0 0 35 HO2 H_OXY 0 0.0000 -1.9770 1.4680 0.8960 34 0 0 0 0 36 C12 C_ALI 0 0.0000 -0.2860 0.9770 -0.9530 33 37 81 82 0 37 C13 C_ALI 0 0.0000 -1.1350 0.3550 -2.0630 36 38 56 80 0 38 C14 C_ALI 0 0.0000 -2.6110 0.6770 -1.8180 37 39 53 54 0 39 C15 C_ARO 0 0.0000 -3.4500 0.0330 -2.8920 38 40 44 0 0 40 C16 C_ARO 0 0.0000 -3.8350 -1.2880 -2.7690 39 41 43 0 0 41 C17 C_ARO 0 0.0000 -4.6050 -1.8780 -3.7530 40 42 46 0 0 42 H17 H_ALI 0 0.0000 -4.9040 -2.9110 -3.6570 41 0 0 0 51 43 H16 H_ALI 0 0.0000 -3.5330 -1.8600 -1.9040 40 0 0 0 50 44 C20 C_ARO 0 0.0000 -3.8410 0.7670 -3.9960 39 45 49 0 0 45 C19 C_ARO 0 0.0000 -4.6070 0.1750 -4.9830 44 46 48 0 0 46 C18 C_ARO 0 0.0000 -4.9910 -1.1460 -4.8600 41 45 47 0 0 47 H18 H_ALI 0 0.0000 -5.5920 -1.6080 -5.6300 46 0 0 0 0 48 H19 H_ALI 0 0.0000 -4.9090 0.7470 -5.8480 45 0 0 0 51 49 H20 H_ALI 0 0.0000 -3.5410 1.8000 -4.0920 44 0 0 0 50 50 Q12 PSEUD 0 0.0000 -3.5370 -0.0300 -2.9980 0 0 0 0 52 51 Q13 PSEUD 0 0.0000 -4.9065 -1.0820 -4.7525 0 0 0 0 52 52 QQB PSEUD 0 0.0000 -4.2217 -0.5560 -3.8753 0 0 0 0 0 53 H141 H_ALI 0 0.0000 -2.9090 0.2920 -0.8430 38 0 0 0 55 54 H142 H_ALI 0 0.0000 -2.7560 1.7570 -1.8420 38 0 0 0 55 55 Q5 PSEUD 0 0.0000 -2.8325 1.0245 -1.3425 0 0 0 0 0 56 C21 C_BYL 0 0.0000 -0.7120 0.9200 -3.3950 37 57 58 0 0 57 O3 O_BYL 0 0.0000 -0.4360 2.0970 -3.4950 56 0 0 0 0 58 N4 N_AMO 0 0.0000 -0.6400 0.1170 -4.4750 56 59 79 0 0 59 C22 C_ALI 0 0.0000 -0.1210 0.6380 -5.7420 58 60 68 78 0 60 C23 C_ALI 0 0.0000 -0.7190 -0.1450 -6.9290 59 61 63 67 0 61 O4 O_HYD 0 0.0000 -1.0780 -1.4700 -6.5340 60 62 0 0 0 62 HO4 H_OXY 0 0.0000 -1.3770 -1.9280 -7.3310 61 0 0 0 0 63 C24 C_ALI 0 0.0000 0.4510 -0.1670 -7.9350 60 64 65 69 0 64 H241 H_ALI 0 0.0000 0.4560 -1.1050 -8.4900 63 0 0 0 66 65 H242 H_ALI 0 0.0000 0.3770 0.6770 -8.6200 63 0 0 0 66 66 Q6 PSEUD 0 0.0000 0.4165 -0.2140 -8.5550 0 0 0 0 0 67 H23 H_ALI 0 0.0000 -1.5780 0.3790 -7.3470 60 0 0 0 0 68 C30 C_ARO 0 0.0000 1.3730 0.4140 -5.8290 59 69 72 0 0 69 C25 C_ARO 0 0.0000 1.7020 -0.0500 -7.0900 63 68 70 0 0 70 C26 C_ARO 0 0.0000 3.0230 -0.3270 -7.3990 69 71 74 0 0 71 H26 H_ALI 0 0.0000 3.2810 -0.6890 -8.3840 70 0 0 0 0 72 C29 C_ARO 0 0.0000 2.3660 0.5970 -4.8820 68 73 77 0 0 73 C28 C_ARO 0 0.0000 3.6830 0.3200 -5.1930 72 74 76 0 0 74 C27 C_ARO 0 0.0000 4.0120 -0.1430 -6.4530 70 73 75 0 0 75 H27 H_ALI 0 0.0000 5.0410 -0.3600 -6.6970 74 0 0 0 0 76 H28 H_ALI 0 0.0000 4.4540 0.4640 -4.4510 73 0 0 0 0 77 H29 H_ALI 0 0.0000 2.1090 0.9590 -3.8980 72 0 0 0 0 78 H22 H_ALI 0 0.0000 -0.3500 1.7000 -5.8360 59 0 0 0 0 79 HN4 H_AMI 0 0.0000 -0.9320 -0.8050 -4.4140 58 0 0 0 0 80 H13 H_ALI 0 0.0000 -0.9950 -0.7250 -2.0660 37 0 0 0 0 81 H121 H_ALI 0 0.0000 -0.5420 2.0310 -0.8470 36 0 0 0 83 82 H122 H_ALI 0 0.0000 0.7690 0.8830 -1.2070 36 0 0 0 83 83 Q7 PSEUD 0 0.0000 0.1135 1.4570 -1.0270 0 0 0 0 0 84 H11 H_ALI 0 0.0000 -0.4250 -0.8210 0.2230 33 0 0 0 0 85 H101 H_ALI 0 0.0000 0.1990 1.7940 1.6600 32 0 0 0 87 86 H102 H_ALI 0 0.0000 1.4350 0.6600 1.0650 32 0 0 0 87 87 Q8 PSEUD 0 0.0000 0.8170 1.2270 1.3625 0 0 0 0 0 88 H81 H_ALI 0 0.0000 -1.8230 0.2070 2.6930 30 0 0 0 90 89 H82 H_ALI 0 0.0000 -0.8850 1.4930 3.4880 30 0 0 0 90 90 Q9 PSEUD 0 0.0000 -1.3540 0.8500 3.0905 0 0 0 0 0 91 H91 H_ALI 0 0.0000 -1.1390 -1.3720 4.5020 29 0 0 0 93 92 H92 H_ALI 0 0.0000 -2.0480 0.0200 5.1340 29 0 0 0 93 93 Q10 PSEUD 0 0.0000 -1.5935 -0.6760 4.8180 0 0 0 0 0 94 C31 C_ALI 0 0.0000 -0.1420 -0.7620 6.7580 1 95 96 98 0 95 H311 H_ALI 0 0.0000 -0.2330 -1.8140 6.4880 94 0 0 0 97 96 H312 H_ALI 0 0.0000 0.7300 -0.6250 7.3970 94 0 0 0 97 97 Q11 PSEUD 0 0.0000 0.2485 -1.2195 6.9425 0 0 0 0 0 98 C32 C_ARO 0 0.0000 -1.3800 -0.3240 7.4980 94 99 106 0 0 99 C33 C_ARO 0 0.0000 -1.3080 0.6700 8.4540 98 100 105 0 0 100 N5 N_AMO 0 0.0000 -2.3880 1.0620 9.1020 99 101 0 0 0 101 C34 C_ARO 0 0.0000 -3.5680 0.5190 8.8750 100 102 104 0 0 102 C35 C_ARO 0 0.0000 -3.7160 -0.4850 7.9370 101 103 106 0 0 103 H35 H_ALI 0 0.0000 -4.6850 -0.9250 7.7550 102 0 0 0 0 104 H34 H_ALI 0 0.0000 -4.4300 0.8640 9.4280 101 0 0 0 0 105 H33 H_ALI 0 0.0000 -0.3590 1.1380 8.6670 99 0 0 0 0 106 C36 C_ARO 0 0.0000 -2.6040 -0.9190 7.2320 98 102 107 0 0 107 H36 H_ALI 0 0.0000 -2.6890 -1.7020 6.4930 106 0 0 0 0