REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID" RESIDUE CNE 25 90 1 90 1 CHI1 0 0 0.0000 2 3 6 7 17 2 CHI2 0 0 0.0000 6 7 8 9 15 3 CHI3 0 0 0.0000 7 8 9 10 14 4 CHI4 0 0 0.0000 8 9 10 11 14 5 CHI5 0 0 0.0000 1 20 21 22 30 6 CHI6 0 0 0.0000 20 21 22 23 30 7 CHI7 0 0 0.0000 21 22 23 24 27 8 PHI1 0 0 0.0000 4 31 32 36 0 9 PHI2 0 0 0.0000 31 32 36 38 0 10 PHI3 0 0 0.0000 32 36 38 40 0 11 PHI4 0 0 0.0000 36 38 40 55 0 12 CHI8 0 0 0.0000 38 40 41 42 53 13 CHI9 0 0 0.0000 40 41 42 43 46 14 CHI10 0 0 0.0000 40 41 47 48 51 15 PHI5 0 0 0.0000 38 40 55 57 0 16 PHI6 0 0 0.0000 40 55 57 59 0 17 PHI7 0 0 0.0000 55 57 59 69 0 18 CHI11 0 0 0.0000 57 59 60 61 67 19 CHI12 0 0 0.0000 59 60 61 62 64 20 CHI13 0 0 0.0000 60 61 62 63 63 21 PHI8 0 0 0.0000 57 59 69 71 0 22 PHI9 0 0 0.0000 59 69 71 75 0 23 PHI10 0 0 0.0000 69 71 75 76 0 24 PHI11 0 0 0.0000 71 75 76 80 0 25 PHI12 0 0 0.0000 75 76 80 89 0 1 C24 C_ARO 0 0.0000 2.4150 0.2400 7.2670 2 19 20 0 0 2 C23 C_ARO 0 0.0000 1.2640 0.1230 8.0110 1 3 18 0 0 3 C22 C_ARO 0 0.0000 0.1290 -0.4770 7.4520 2 4 6 0 0 4 C21 C_ARO 0 0.0000 0.1730 -0.9550 6.1370 3 5 31 0 0 5 H21 H_ALI 0 0.0000 -0.6980 -1.4190 5.7010 4 0 0 0 0 6 C26 C_BYL 0 0.0000 -1.1020 -0.6040 8.2420 3 7 17 0 0 7 C27 C_BYL 0 0.0000 -1.1420 -0.1410 9.5110 6 8 16 0 0 8 C28 C_BYL 0 0.0000 -2.3310 -0.2640 10.2730 7 9 15 0 0 9 O7 O_EST 0 0.0000 -2.3710 0.1970 11.5400 8 10 0 0 0 10 C29 C_ALI 0 0.0000 -3.6840 -0.0680 12.0360 9 11 12 13 0 11 H291 H_ALI 0 0.0000 -3.7650 0.2890 13.0620 10 0 0 0 14 12 H292 H_ALI 0 0.0000 -4.4180 0.4440 11.4140 10 0 0 0 14 13 H293 H_ALI 0 0.0000 -3.8720 -1.1410 12.0090 10 0 0 0 14 14 Q1 PSEUD 0 0.0000 -4.0183 -0.1360 12.1617 0 0 0 0 0 15 O6 O_BYL 0 0.0000 -3.3150 -0.7860 9.7850 8 0 0 0 0 16 H27 H_ALI 0 0.0000 -0.2680 0.3210 9.9440 7 0 0 0 0 17 H26 H_ALI 0 0.0000 -1.9760 -1.0670 7.8090 6 0 0 0 0 18 H23 H_ALI 0 0.0000 1.2350 0.4930 9.0250 2 0 0 0 0 19 H24 H_ALI 0 0.0000 3.2910 0.7020 7.6970 1 0 0 0 0 20 C25 C_ARO 0 0.0000 2.4530 -0.2360 5.9610 1 21 31 0 0 21 O8 O_EST 0 0.0000 3.5920 -0.1180 5.2310 20 22 0 0 0 22 C30 C_ALI 0 0.0000 4.5540 0.5270 6.0670 21 23 28 29 0 23 C31 C_ALI 0 0.0000 5.8670 0.6920 5.3000 22 24 25 26 0 24 H311 H_ALI 0 0.0000 6.6010 1.1840 5.9380 23 0 0 0 27 25 H312 H_ALI 0 0.0000 6.2410 -0.2880 5.0060 23 0 0 0 27 26 H313 H_ALI 0 0.0000 5.6950 1.2970 4.4100 23 0 0 0 27 27 Q2 PSEUD 0 0.0000 6.1790 0.7310 5.1180 0 0 0 0 0 28 H301 H_ALI 0 0.0000 4.7260 -0.0780 6.9570 22 0 0 0 30 29 H302 H_ALI 0 0.0000 4.1790 1.5070 6.3620 22 0 0 0 30 30 Q3 PSEUD 0 0.0000 4.4525 0.7145 6.6595 0 0 0 0 0 31 C20 C_ARO 0 0.0000 1.3280 -0.8280 5.3990 4 20 32 0 0 32 C19 C_ALI 0 0.0000 1.3770 -1.3420 3.9830 31 33 34 36 0 33 H191 H_ALI 0 0.0000 2.3940 -1.6540 3.7440 32 0 0 0 35 34 H192 H_ALI 0 0.0000 0.7030 -2.1930 3.8820 32 0 0 0 35 35 Q4 PSEUD 0 0.0000 1.5485 -1.9235 3.8130 0 0 0 0 0 36 C18 C_BYL 0 0.0000 0.9510 -0.2490 3.0370 32 37 38 0 0 37 O5 O_BYL 0 0.0000 0.6390 0.8390 3.4700 36 0 0 0 0 38 N2 N_AMI 0 0.0000 0.9170 -0.4820 1.7100 36 39 40 0 0 39 HN2 H_AMI 0 0.0000 1.1670 -1.3530 1.3640 38 0 0 0 0 40 C14 C_ALI 0 0.0000 0.5040 0.5800 0.7900 38 41 54 55 0 41 C15 C_ALI 0 0.0000 1.7300 1.3870 0.3590 40 42 47 53 0 42 C17 C_ALI 0 0.0000 2.3070 2.1240 1.5680 41 43 44 45 0 43 H171 H_ALI 0 0.0000 3.1810 2.6990 1.2610 42 0 0 0 46 44 H172 H_ALI 0 0.0000 1.5540 2.7980 1.9770 42 0 0 0 46 45 H173 H_ALI 0 0.0000 2.5980 1.4000 2.3300 42 0 0 0 46 46 Q5 PSEUD 0 0.0000 2.4443 2.2990 1.8560 0 0 0 0 52 47 C16 C_ALI 0 0.0000 2.7870 0.4400 -0.2140 41 48 49 50 0 48 H161 H_ALI 0 0.0000 3.0200 -0.3300 0.5190 47 0 0 0 51 49 H162 H_ALI 0 0.0000 2.4040 -0.0240 -1.1210 47 0 0 0 51 50 H163 H_ALI 0 0.0000 3.6900 1.0040 -0.4480 47 0 0 0 51 51 Q6 PSEUD 0 0.0000 3.0380 0.2167 -0.3500 0 0 0 0 52 52 QQA PSEUD 0 0.0000 2.7412 1.2578 0.7530 0 0 0 0 0 53 H15 H_ALI 0 0.0000 1.4390 2.1100 -0.4020 41 0 0 0 0 54 H14 H_ALI 0 0.0000 -0.2050 1.2380 1.2910 40 0 0 0 0 55 C13 C_BYL 0 0.0000 -0.1470 -0.0300 -0.4220 40 56 57 0 0 56 O4 O_BYL 0 0.0000 0.0070 -1.2080 -0.6650 55 0 0 0 0 57 N1 N_AMI 0 0.0000 -0.9030 0.7310 -1.2370 55 58 59 0 0 58 HN1 H_AMI 0 0.0000 -0.9630 1.6880 -1.0890 57 0 0 0 0 59 C10 C_ALI 0 0.0000 -1.6340 0.1150 -2.3480 57 60 68 69 0 60 C11 C_ALI 0 0.0000 -3.0770 0.6210 -2.3510 59 61 65 66 0 61 C12 C_BYL 0 0.0000 -3.7420 0.2520 -1.0500 60 62 64 0 0 62 O2 O_HYD 0 0.0000 -5.0030 0.6440 -0.8060 61 63 0 0 0 63 HO2 H_OXY 0 0.0000 -5.4290 0.4080 0.0280 62 0 0 0 0 64 O3 O_BYL 0 0.0000 -3.1410 -0.3950 -0.2270 61 0 0 0 0 65 H111 H_ALI 0 0.0000 -3.0820 1.7050 -2.4670 60 0 0 0 67 66 H112 H_ALI 0 0.0000 -3.6200 0.1650 -3.1790 60 0 0 0 67 67 Q7 PSEUD 0 0.0000 -3.3510 0.9350 -2.8230 0 0 0 0 0 68 H10 H_ALI 0 0.0000 -1.6290 -0.9680 -2.2290 59 0 0 0 0 69 C9 C_BYL 0 0.0000 -0.9700 0.4800 -3.6500 59 70 71 0 0 70 O1 O_BYL 0 0.0000 -0.3870 1.5330 -3.7560 69 0 0 0 0 71 C8 C_ALI 0 0.0000 -1.0330 -0.4660 -4.8200 69 72 73 75 0 72 H81 H_ALI 0 0.0000 -2.0740 -0.6370 -5.0940 71 0 0 0 74 73 H82 H_ALI 0 0.0000 -0.5700 -1.4140 -4.5450 71 0 0 0 74 74 Q8 PSEUD 0 0.0000 -1.3220 -1.0255 -4.8195 0 0 0 0 0 75 S1 S_RED 0 0.0000 -0.1470 0.2520 -6.2300 71 76 0 0 0 76 C7 C_ALI 0 0.0000 -0.3810 -1.0640 -7.4550 75 77 78 80 0 77 H71 H_ALI 0 0.0000 -1.4470 -1.2120 -7.6300 76 0 0 0 79 78 H72 H_ALI 0 0.0000 0.0570 -1.9890 -7.0820 76 0 0 0 79 79 Q9 PSEUD 0 0.0000 -0.6950 -1.6005 -7.3560 0 0 0 0 0 80 C6 C_ARO 0 0.0000 0.2900 -0.6740 -8.7460 76 81 89 0 0 81 C5 C_ARO 0 0.0000 1.6120 -1.0190 -8.9700 80 82 88 0 0 82 C4 C_ARO 0 0.0000 2.2290 -0.6610 -10.1570 81 83 87 0 0 83 C3 C_ARO 0 0.0000 1.5240 0.0390 -11.1180 82 84 86 0 0 84 C2 C_ARO 0 0.0000 0.2040 0.3830 -10.8940 83 85 89 0 0 85 H2 H_ALI 0 0.0000 -0.3450 0.9310 -11.6450 84 0 0 0 0 86 H3 H_ALI 0 0.0000 2.0050 0.3190 -12.0430 83 0 0 0 0 87 H4 H_ALI 0 0.0000 3.2600 -0.9290 -10.3330 82 0 0 0 0 88 F1 X_XXX 0 0.0000 2.3010 -1.7040 -8.0310 81 0 0 0 0 89 C1 C_ARO 0 0.0000 -0.4140 0.0210 -9.7100 80 84 90 0 0 90 CL1 C_XXX 0 0.0000 -2.0720 0.4530 -9.4310 89 0 0 0 0