REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE RESIDUE LIQ 23 101 1 101 1 CHI1 0 0 0.0000 19 1 2 3 18 2 CHI2 0 0 0.0000 1 2 3 4 15 3 CHI3 0 0 0.0000 2 3 4 5 12 4 CHI4 0 0 0.0000 3 4 5 6 9 5 PHI1 0 0 0.0000 2 1 22 25 0 6 PHI2 0 0 0.0000 1 22 25 29 0 7 PHI3 0 0 0.0000 22 25 29 88 0 8 CHI5 0 0 0.0000 25 29 30 31 86 9 CHI6 0 0 0.0000 29 30 31 32 85 10 CHI7 0 0 0.0000 30 31 32 33 84 11 CHI8 0 0 0.0000 31 32 33 34 68 12 CHI9 0 0 0.0000 32 33 34 35 65 13 CHI10 0 0 0.0000 33 34 35 36 62 14 CHI11 0 0 0.0000 34 35 36 37 61 15 CHI12 0 0 0.0000 35 36 37 38 56 16 CHI13 0 0 0.0000 38 39 40 41 48 17 CHI14 0 0 0.0000 39 40 41 42 45 18 CHI15 0 0 0.0000 32 33 66 67 67 19 CHI16 0 0 0.0000 31 32 69 70 83 20 CHI17 0 0 0.0000 32 69 70 71 80 21 PHI4 0 0 0.0000 25 29 88 90 0 22 PHI5 0 0 0.0000 29 88 90 92 0 23 PHI6 0 0 0.0000 88 90 92 100 0 1 C7 C_ALI 0 0.0000 4.3750 -3.0260 -0.2430 2 19 20 22 0 2 C3 C_ALI 0 0.0000 5.5530 -3.8920 0.2080 1 3 16 17 0 3 C2 C_ALI 0 0.0000 6.0530 -4.7280 -0.9730 2 4 13 14 0 4 C1 C_ALI 0 0.0000 7.2310 -5.5940 -0.5220 3 5 10 11 0 5 C1A C_ALI 0 0.0000 7.7300 -6.4290 -1.7030 4 6 7 8 0 6 H1A1 H_ALI 0 0.0000 8.5690 -7.0460 -1.3820 5 0 0 0 9 7 H1A2 H_ALI 0 0.0000 6.9250 -7.0690 -2.0620 5 0 0 0 9 8 H1A3 H_ALI 0 0.0000 8.0530 -5.7660 -2.5060 5 0 0 0 9 9 Q1 PSEUD 0 0.0000 7.8490 -6.6270 -1.9833 0 0 0 0 0 10 H11 H_ALI 0 0.0000 6.9080 -6.2570 0.2810 4 0 0 0 12 11 H12 H_ALI 0 0.0000 8.0360 -4.9540 -0.1630 4 0 0 0 12 12 Q2 PSEUD 0 0.0000 7.4720 -5.6055 0.0590 0 0 0 0 0 13 H21A H_ALI 0 0.0000 6.3750 -4.0650 -1.7760 3 0 0 0 15 14 H22 H_ALI 0 0.0000 5.2470 -5.3680 -1.3320 3 0 0 0 15 15 Q3 PSEUD 0 0.0000 5.8110 -4.7165 -1.5540 0 0 0 0 0 16 H31A H_ALI 0 0.0000 5.2300 -4.5550 1.0110 2 0 0 0 18 17 H32 H_ALI 0 0.0000 6.3590 -3.2520 0.5670 2 0 0 0 18 18 Q4 PSEUD 0 0.0000 5.7945 -3.9035 0.7890 0 0 0 0 0 19 H71 H_ALI 0 0.0000 4.6980 -2.3630 -1.0460 1 0 0 0 21 20 H72 H_ALI 0 0.0000 3.5690 -3.6660 -0.6020 1 0 0 0 21 21 Q5 PSEUD 0 0.0000 4.1335 -3.0145 -0.8240 0 0 0 0 0 22 S8 S_XXX 0 0.0000 3.7830 -2.0360 1.1570 1 23 24 25 0 23 O1 O_XXX 0 0.0000 4.7920 -1.1070 1.5260 22 0 0 0 0 24 O2 O_XXX 0 0.0000 3.2350 -2.9050 2.1390 22 0 0 0 0 25 C9 C_ALI 0 0.0000 2.4310 -1.1450 0.3390 22 26 27 29 0 26 H91 H_ALI 0 0.0000 2.8310 -0.5570 -0.4880 25 0 0 0 28 27 H92 H_ALI 0 0.0000 1.7030 -1.8600 -0.0440 25 0 0 0 28 28 Q6 PSEUD 0 0.0000 2.2670 -1.2085 -0.2660 0 0 0 0 0 29 C10 C_ALI 0 0.0000 1.7520 -0.2130 1.3450 25 30 87 88 0 30 C11 C_BYL 0 0.0000 0.5540 0.4350 0.6990 29 31 86 0 0 31 N12 N_AMO 0 0.0000 -0.6060 -0.2440 0.5960 30 32 85 0 0 32 C13 C_ALI 0 0.0000 -1.7700 0.3860 -0.0310 31 33 69 84 0 33 C21 C_ALI 0 0.0000 -3.0490 -0.2640 0.5000 32 34 66 68 0 34 C22 C_ALI 0 0.0000 -4.2670 0.4750 -0.0590 33 35 63 64 0 35 N23 N_AMO 0 0.0000 -5.4900 -0.0710 0.5430 34 36 62 0 0 36 C24 C_ALI 0 0.0000 -6.6150 0.6780 -0.0330 35 37 59 60 0 37 C25 C_ARO 0 0.0000 -7.9090 0.1660 0.5460 36 38 50 0 0 38 C26 C_ARO 0 0.0000 -8.5840 -0.8660 -0.0790 37 39 49 0 0 39 C27 C_ARO 0 0.0000 -9.7690 -1.3390 0.4540 38 40 52 0 0 40 C28 C_ALI 0 0.0000 -10.5020 -2.4680 -0.2230 39 41 46 47 0 41 C32 C_ALI 0 0.0000 -11.4840 -1.8970 -1.2470 40 42 43 44 0 42 H321 H_ALI 0 0.0000 -12.0150 -2.7130 -1.7370 41 0 0 0 45 43 H322 H_ALI 0 0.0000 -12.2010 -1.2500 -0.7410 41 0 0 0 45 44 H323 H_ALI 0 0.0000 -10.9370 -1.3200 -1.9930 41 0 0 0 45 45 Q7 PSEUD 0 0.0000 -11.7177 -1.7610 -1.4903 0 0 0 0 0 46 H281 H_ALI 0 0.0000 -9.7850 -3.1150 -0.7290 40 0 0 0 48 47 H282 H_ALI 0 0.0000 -11.0490 -3.0450 0.5230 40 0 0 0 48 48 Q8 PSEUD 0 0.0000 -10.4170 -3.0800 -0.1030 0 0 0 0 0 49 H26 H_ALI 0 0.0000 -8.1830 -1.3070 -0.9790 38 0 0 0 56 50 C31 C_ARO 0 0.0000 -8.4230 0.7310 1.6980 37 51 55 0 0 51 C30 C_ARO 0 0.0000 -9.6100 0.2610 2.2280 50 52 54 0 0 52 C29 C_ARO 0 0.0000 -10.2820 -0.7740 1.6060 39 51 53 0 0 53 H29 H_ALI 0 0.0000 -11.2090 -1.1420 2.0210 52 0 0 0 0 54 H30 H_ALI 0 0.0000 -10.0110 0.7030 3.1280 51 0 0 0 57 55 H31 H_ALI 0 0.0000 -7.8980 1.5400 2.1830 50 0 0 0 56 56 Q12 PSEUD 0 0.0000 -8.0405 0.1165 0.6020 0 0 0 0 58 57 Q13 PSEUD 0 0.0000 -10.0110 0.7030 3.1280 0 0 0 0 58 58 QQA PSEUD 0 0.0000 -9.0257 0.4097 1.8650 0 0 0 0 0 59 H241 H_ALI 0 0.0000 -6.5060 1.7370 0.2030 36 0 0 0 61 60 H242 H_ALI 0 0.0000 -6.6230 0.5470 -1.1150 36 0 0 0 61 61 Q9 PSEUD 0 0.0000 -6.5645 1.1420 -0.4560 0 0 0 0 0 62 HN23 H_AMI 0 0.0000 -5.5760 -1.0210 0.2150 35 0 0 0 0 63 H221 H_ALI 0 0.0000 -4.1880 1.5360 0.1770 34 0 0 0 65 64 H222 H_ALI 0 0.0000 -4.3050 0.3460 -1.1410 34 0 0 0 65 65 Q10 PSEUD 0 0.0000 -4.2465 0.9410 -0.4820 0 0 0 0 0 66 O4 O_HYD 0 0.0000 -3.0940 -1.6320 0.0910 33 67 0 0 0 67 HO4 H_OXY 0 0.0000 -3.0830 -1.6350 -0.8760 66 0 0 0 0 68 H21 H_ALI 0 0.0000 -3.0600 -0.2100 1.5880 33 0 0 0 0 69 C14 C_ALI 0 0.0000 -1.6950 0.2000 -1.5480 32 70 81 82 0 70 C15 C_ARO 0 0.0000 -0.5010 0.9440 -2.0870 69 71 75 0 0 71 C20 C_ARO 0 0.0000 0.7230 0.3090 -2.1810 70 72 74 0 0 72 C19 C_ARO 0 0.0000 1.8210 0.9910 -2.6770 71 73 77 0 0 73 F19 X_XXX 0 0.0000 3.0180 0.3700 -2.7690 72 0 0 0 0 74 H20 H_ALI 0 0.0000 0.8230 -0.7200 -1.8680 71 0 0 0 0 75 C16 C_ARO 0 0.0000 -0.6320 2.2590 -2.4930 70 76 80 0 0 76 C17 C_ARO 0 0.0000 0.4670 2.9450 -2.9840 75 77 79 0 0 77 C18 C_ARO 0 0.0000 1.6930 2.3100 -3.0780 72 76 78 0 0 78 H18 H_ALI 0 0.0000 2.5490 2.8430 -3.4650 77 0 0 0 0 79 F17 X_XXX 0 0.0000 0.3400 4.2310 -3.3750 76 0 0 0 0 80 H16 H_ALI 0 0.0000 -1.5890 2.7540 -2.4190 75 0 0 0 0 81 H141 H_ALI 0 0.0000 -1.5980 -0.8610 -1.7800 69 0 0 0 83 82 H142 H_ALI 0 0.0000 -2.6040 0.5900 -2.0070 69 0 0 0 83 83 Q11 PSEUD 0 0.0000 -2.1010 -0.1355 -1.8935 0 0 0 0 0 84 H13 H_ALI 0 0.0000 -1.7780 1.4500 0.2040 32 0 0 0 0 85 HN12 H_AMI 0 0.0000 -0.6690 -1.1500 0.9360 31 0 0 0 0 86 O3 O_BYL 0 0.0000 0.6330 1.5680 0.2730 30 0 0 0 0 87 H10 H_ALI 0 0.0000 1.4300 -0.7890 2.2130 29 0 0 0 0 88 N40 N_AMI 0 0.0000 2.6980 0.8220 1.7680 29 89 90 0 0 89 HN40 H_AMI 0 0.0000 2.9400 0.9040 2.7040 88 0 0 0 0 90 C41 C_BYL 0 0.0000 3.2320 1.6600 0.8580 88 91 92 0 0 91 O5 O_BYL 0 0.0000 2.9290 1.5570 -0.3140 90 0 0 0 0 92 C43 C_ARO 0 0.0000 4.1870 2.7040 1.2860 90 93 100 0 0 93 C45 C_ARO 0 0.0000 4.5390 2.8360 2.6290 92 94 99 0 0 94 N44 N_AMO 0 0.0000 5.3940 3.7630 3.0100 93 95 0 0 0 95 C46 C_ARO 0 0.0000 5.9390 4.6030 2.1510 94 96 98 0 0 96 C47 C_ARO 0 0.0000 5.6370 4.5410 0.8020 95 97 100 0 0 97 H47 H_ALI 0 0.0000 6.0910 5.2340 0.1090 96 0 0 0 0 98 H46 H_ALI 0 0.0000 6.6320 5.3510 2.5060 95 0 0 0 0 99 H45 H_ALI 0 0.0000 4.1140 2.1670 3.3630 93 0 0 0 0 100 C48 C_ARO 0 0.0000 4.7490 3.5810 0.3500 92 96 101 0 0 101 H48 H_ALI 0 0.0000 4.4960 3.5100 -0.6970 100 0 0 0 0