REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE RESIDUE QIN 21 82 1 82 1 CHI1 0 0 0.0000 2 3 4 5 44 2 CHI2 0 0 0.0000 3 4 5 6 43 3 CHI3 0 0 0.0000 4 5 6 7 42 4 CHI4 0 0 0.0000 5 6 7 8 29 5 CHI5 0 0 0.0000 6 7 8 9 24 6 CHI6 0 0 0.0000 7 8 9 10 21 7 CHI7 0 0 0.0000 8 9 10 11 18 8 CHI8 0 0 0.0000 9 10 11 12 15 9 CHI9 0 0 0.0000 6 7 25 26 28 10 CHI10 0 0 0.0000 5 6 30 31 41 11 CHI11 0 0 0.0000 6 30 31 32 38 12 CHI12 0 0 0.0000 46 47 50 51 63 13 CHI13 0 0 0.0000 47 50 51 52 58 14 CHI14 0 0 0.0000 50 51 53 54 57 15 CHI15 0 0 0.0000 47 50 59 60 63 16 PHI1 0 0 0.0000 2 1 64 66 0 17 PHI2 0 0 0.0000 1 64 66 70 0 18 PHI3 0 0 0.0000 64 66 70 76 0 19 CHI16 0 0 0.0000 66 70 71 72 74 20 PHI4 0 0 0.0000 66 70 76 78 0 21 PHI5 0 0 0.0000 70 76 78 81 0 1 C15 C_ARO 0 0.0000 -1.7080 2.4920 1.6760 2 46 64 0 0 2 C16 C_ARO 0 0.0000 -2.3580 2.0960 0.5180 1 3 45 0 0 3 C17 C_ARO 0 0.0000 -2.1420 2.8590 -0.6050 2 4 48 0 0 4 C34 C_BYL 0 0.0000 -2.8150 2.4790 -1.8740 3 5 44 0 0 5 N35 N_AMO 0 0.0000 -3.1220 1.1380 -2.0120 4 6 43 0 0 6 C36 C_ALI 0 0.0000 -3.7570 0.6070 -3.2030 5 7 30 42 0 7 C28 C_ALI 0 0.0000 -5.2970 0.7550 -3.0880 6 8 25 29 0 8 C8 C_ALI 0 0.0000 -5.9080 -0.0790 -1.9400 7 9 22 23 0 9 C10 C_ALI 0 0.0000 -7.4300 0.0900 -1.8250 8 10 19 20 0 10 C11 C_ALI 0 0.0000 -8.0360 -0.6780 -0.6470 9 11 16 17 0 11 C13 C_ALI 0 0.0000 -9.5380 -0.4880 -0.5020 10 12 13 14 0 12 H131 H_ALI 0 0.0000 -9.7880 0.5420 -0.2320 11 0 0 0 15 13 H132 H_ALI 0 0.0000 -10.0580 -0.7390 -1.4320 11 0 0 0 15 14 H133 H_ALI 0 0.0000 -9.9240 -1.1400 0.2880 11 0 0 0 15 15 Q1 PSEUD 0 0.0000 -9.9233 -0.4457 -0.4587 0 0 0 0 0 16 H111 H_ALI 0 0.0000 -7.5390 -0.3850 0.2850 10 0 0 0 18 17 H112 H_ALI 0 0.0000 -7.8340 -1.7460 -0.7910 10 0 0 0 18 18 Q2 PSEUD 0 0.0000 -7.6865 -1.0655 -0.2530 0 0 0 0 0 19 H101 H_ALI 0 0.0000 -7.9120 -0.2690 -2.7420 9 0 0 0 21 20 H102 H_ALI 0 0.0000 -7.6770 1.1550 -1.7330 9 0 0 0 21 21 Q3 PSEUD 0 0.0000 -7.7945 0.4430 -2.2375 0 0 0 0 0 22 H81 H_ALI 0 0.0000 -5.6780 -1.1420 -2.0790 8 0 0 0 24 23 H82 H_ALI 0 0.0000 -5.4450 0.2260 -0.9960 8 0 0 0 24 24 Q4 PSEUD 0 0.0000 -5.5615 -0.4580 -1.5375 0 0 0 0 0 25 N1 N_AMO 0 0.0000 -5.9480 0.4140 -4.3580 7 26 27 0 0 26 HN11 H_AMI 0 0.0000 -5.3700 0.1040 -5.1050 25 0 0 0 28 27 HN12 H_AMI 0 0.0000 -6.8920 0.6960 -4.4840 25 0 0 0 28 28 Q5 PSEUD 0 0.0000 -6.1310 0.4000 -4.7945 0 0 0 0 0 29 H28 H_ALI 0 0.0000 -5.5190 1.8130 -2.8910 7 0 0 0 0 30 C56 C_ALI 0 0.0000 -3.2720 -0.8310 -3.4820 6 31 39 40 0 31 C62 C_ARO 0 0.0000 -1.7730 -0.9420 -3.5630 30 32 36 0 0 32 C61 C_ARO 0 0.0000 -0.9940 -0.1930 -4.4710 31 33 35 0 0 33 C64 C_ARO 0 0.0000 0.3460 -0.4850 -4.3390 32 34 37 0 0 34 H64 H_ALI 0 0.0000 1.1710 -0.0680 -4.8980 33 0 0 0 0 35 H61 H_ALI 0 0.0000 -1.3750 0.5230 -5.1880 32 0 0 0 0 36 C63 C_ARO 0 0.0000 -1.0410 -1.7750 -2.7700 31 37 38 0 0 37 S2 S_RED 0 0.0000 0.6310 -1.6560 -3.1220 33 36 0 0 0 38 H63 H_ALI 0 0.0000 -1.3860 -2.4520 -2.0000 36 0 0 0 0 39 H561 H_ALI 0 0.0000 -3.6440 -1.5120 -2.7040 30 0 0 0 41 40 H562 H_ALI 0 0.0000 -3.6910 -1.1970 -4.4280 30 0 0 0 41 41 Q6 PSEUD 0 0.0000 -3.6675 -1.3545 -3.5660 0 0 0 0 0 42 H36 H_ALI 0 0.0000 -3.4130 1.2630 -4.0140 6 0 0 0 0 43 HN35 H_AMI 0 0.0000 -2.8510 0.4680 -1.3020 5 0 0 0 0 44 O4 O_BYL 0 0.0000 -3.0390 3.3440 -2.7170 4 0 0 0 0 45 H16 H_ALI 0 0.0000 -3.0040 1.2230 0.5040 2 0 0 0 0 46 N3 N_AMO 0 0.0000 -0.8920 3.5670 1.7560 1 47 0 0 0 47 C19 C_ARO 0 0.0000 -0.7210 4.2770 0.6180 46 48 50 0 0 48 C18 C_ARO 0 0.0000 -1.3240 3.9640 -0.5900 3 47 49 0 0 49 H18 H_ALI 0 0.0000 -1.1530 4.5690 -1.4750 48 0 0 0 0 50 N4 N_AMO 0 0.0000 0.1420 5.4110 0.7080 47 51 59 0 0 51 S1 S_XXX 0 0.0000 0.2530 6.2040 2.2380 50 52 53 58 0 52 O1 O_XXX 0 0.0000 -0.9320 5.9100 3.0220 51 0 0 0 0 53 C22 C_ALI 0 0.0000 1.6020 5.3210 2.9940 51 54 55 56 0 54 H221 H_ALI 0 0.0000 1.4380 4.2520 2.8500 53 0 0 0 57 55 H222 H_ALI 0 0.0000 2.5310 5.6330 2.5130 53 0 0 0 57 56 H223 H_ALI 0 0.0000 1.6210 5.5650 4.0570 53 0 0 0 57 57 Q7 PSEUD 0 0.0000 1.8633 5.1500 3.1400 0 0 0 0 0 58 O2 O_XXX 0 0.0000 0.6830 7.5770 2.0540 51 0 0 0 0 59 C29 C_ALI 0 0.0000 1.3500 5.4280 -0.1650 50 60 61 62 0 60 H291 H_ALI 0 0.0000 1.4920 6.4240 -0.5910 59 0 0 0 63 61 H292 H_ALI 0 0.0000 1.2370 4.7090 -0.9810 59 0 0 0 63 62 H293 H_ALI 0 0.0000 2.2390 5.1630 0.4150 59 0 0 0 63 63 Q8 PSEUD 0 0.0000 1.6560 5.4320 -0.3857 0 0 0 0 0 64 N2 N_AMI 0 0.0000 -1.9230 1.7130 2.8390 1 65 66 0 0 65 HN2 H_AMI 0 0.0000 -1.4510 2.0080 3.6690 64 0 0 0 0 66 C5 C_ALI 0 0.0000 -2.7660 0.5620 2.8510 64 67 68 70 0 67 H51 H_ALI 0 0.0000 -3.7730 0.8830 2.5660 66 0 0 0 69 68 H52 H_ALI 0 0.0000 -2.3910 -0.1340 2.0950 66 0 0 0 69 69 Q9 PSEUD 0 0.0000 -3.0820 0.3745 2.3305 0 0 0 0 0 70 C3 C_ALI 0 0.0000 -2.7840 -0.0790 4.1970 66 71 75 76 0 71 C1 C_ALI 0 0.0000 -3.6240 -1.3000 4.4060 70 72 73 76 0 72 H11 H_ALI 0 0.0000 -4.1900 -1.6670 3.5590 71 0 0 0 74 73 H12 H_ALI 0 0.0000 -4.1160 -1.4360 5.3620 71 0 0 0 74 74 Q10 PSEUD 0 0.0000 -4.1530 -1.5515 4.4605 0 0 0 0 0 75 H3 H_ALI 0 0.0000 -2.7250 0.6500 4.9910 70 0 0 0 0 76 C2 C_ALI 0 0.0000 -2.1280 -1.4130 4.3720 70 71 77 78 0 77 H2 H_ALI 0 0.0000 -1.6730 -1.8950 3.5160 76 0 0 0 0 78 C4 C_ALI 0 0.0000 -1.3950 -1.6940 5.6310 76 79 80 81 0 79 H41 H_ALI 0 0.0000 -1.7380 -2.6330 6.0740 78 0 0 0 82 80 H42 H_ALI 0 0.0000 -0.3210 -1.7740 5.4400 78 0 0 0 82 81 H43 H_ALI 0 0.0000 -1.5570 -0.8910 6.3570 78 0 0 0 82 82 Q11 PSEUD 0 0.0000 -1.2053 -1.7660 5.9570 0 0 0 0 0