REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID" RESIDUE M1L 15 78 1 78 1 CHI1 0 0 0.0000 2 3 8 9 12 2 CHI2 0 0 0.0000 19 20 23 24 50 3 CHI3 0 0 0.0000 25 30 31 32 47 4 CHI4 0 0 0.0000 30 31 32 33 42 5 CHI5 0 0 0.0000 31 32 33 34 37 6 CHI6 0 0 0.0000 31 32 38 39 42 7 CHI7 0 0 0.0000 30 31 44 45 45 8 CHI8 0 0 0.0000 30 31 46 47 47 9 PHI1 0 0 0.0000 60 61 62 63 0 10 PHI2 0 0 0.0000 61 62 63 75 0 11 CHI9 0 0 0.0000 62 63 64 65 73 12 CHI10 0 0 0.0000 63 64 65 66 70 13 CHI11 0 0 0.0000 64 65 66 67 67 14 PHI3 0 0 0.0000 62 63 75 78 0 15 CHI12 0 0 0.0000 63 75 76 77 77 1 C1 C_ALI 0 0.0000 1.9430 3.1170 0.0530 2 16 17 19 0 2 C8 C_ALI 0 0.0000 1.7440 4.5490 -0.4460 1 3 13 14 0 3 N1 N_AMO 0 0.0000 0.6370 5.1600 0.3040 2 4 8 0 0 4 C10 C_ALI 0 0.0000 -0.5980 4.5710 -0.2190 3 5 6 53 0 5 H101 H_ALI 0 0.0000 -1.4460 4.9520 0.3510 4 0 0 0 7 6 H102 H_ALI 0 0.0000 -0.7140 4.8530 -1.2650 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 -1.0800 4.9025 -0.4570 0 0 0 0 0 8 C13 C_ALI 0 0.0000 0.6140 6.5830 -0.0610 3 9 10 11 0 9 H131 H_ALI 0 0.0000 0.3460 6.6840 -1.1130 8 0 0 0 12 10 H132 H_ALI 0 0.0000 -0.1210 7.1040 0.5530 8 0 0 0 12 11 H133 H_ALI 0 0.0000 1.6000 7.0170 0.1060 8 0 0 0 12 12 Q2 PSEUD 0 0.0000 0.6083 6.9350 -0.1513 0 0 0 0 0 13 H81 H_ALI 0 0.0000 1.5030 4.5360 -1.5090 2 0 0 0 15 14 H82 H_ALI 0 0.0000 2.6560 5.1230 -0.2830 2 0 0 0 15 15 Q3 PSEUD 0 0.0000 2.0795 4.8295 -0.8960 0 0 0 0 0 16 H11 H_ALI 0 0.0000 2.6610 2.6060 -0.5880 1 0 0 0 18 17 H12 H_ALI 0 0.0000 2.3190 3.1380 1.0760 1 0 0 0 18 18 Q4 PSEUD 0 0.0000 2.4900 2.8720 0.2440 0 0 0 0 0 19 C6 C_ARO 0 0.0000 0.6240 2.3840 0.0160 1 20 53 0 0 20 C7 C_ARO 0 0.0000 0.6290 0.9900 0.1130 19 21 23 0 0 21 C2 C_ARO 0 0.0000 -0.5690 0.2840 0.0810 20 22 59 0 0 22 H2 H_ALI 0 0.0000 -0.5690 -0.7930 0.1550 21 0 0 0 0 23 C16 C_ARO 0 0.0000 1.9150 0.2610 0.2480 20 24 28 0 0 24 C15 C_ARO 0 0.0000 2.7890 0.5730 1.2870 23 25 27 0 0 25 C14 C_ARO 0 0.0000 3.9830 -0.1090 1.4080 24 26 30 0 0 26 H14 H_ALI 0 0.0000 4.6620 0.1320 2.2130 25 0 0 0 51 27 H15 H_ALI 0 0.0000 2.5330 1.3460 1.9960 24 0 0 0 50 28 C17 C_ARO 0 0.0000 2.2490 -0.7410 -0.6600 23 29 49 0 0 29 C18 C_ARO 0 0.0000 3.4490 -1.4120 -0.5330 28 30 48 0 0 30 C19 C_ARO 0 0.0000 4.3130 -1.0990 0.5000 25 29 31 0 0 31 S1 S_XXX 0 0.0000 5.8810 -1.9870 0.6650 30 32 44 46 0 32 N4 N_AMO 0 0.0000 6.4240 -1.3110 -0.8550 31 33 38 0 0 33 C20 C_ALI 0 0.0000 7.5820 -0.4610 -0.5500 32 34 35 36 0 34 H201 H_ALI 0 0.0000 7.9050 0.0520 -1.4560 33 0 0 0 37 35 H202 H_ALI 0 0.0000 7.3040 0.2750 0.2050 33 0 0 0 37 36 H203 H_ALI 0 0.0000 8.3970 -1.0790 -0.1720 33 0 0 0 37 37 Q5 PSEUD 0 0.0000 7.8687 -0.2507 -0.4743 0 0 0 0 43 38 C21 C_ALI 0 0.0000 6.9240 -2.4330 -1.6610 32 39 40 41 0 39 H211 H_ALI 0 0.0000 6.1580 -3.2060 -1.7240 38 0 0 0 42 40 H212 H_ALI 0 0.0000 7.1670 -2.0800 -2.6640 38 0 0 0 42 41 H213 H_ALI 0 0.0000 7.8190 -2.8450 -1.1950 38 0 0 0 42 42 Q6 PSEUD 0 0.0000 7.0480 -2.7103 -1.8610 0 0 0 0 43 43 QQA PSEUD 0 0.0000 7.4583 -1.4805 -1.1677 0 0 0 0 0 44 O2 O_HYD 0 0.0000 7.3190 -2.8020 0.8160 31 45 0 0 0 45 HO2 H_OXY 0 0.0000 7.9230 -2.2180 1.2950 44 0 0 0 0 46 O3 O_HYD 0 0.0000 5.0610 -3.4310 0.6860 31 47 0 0 0 47 HO3 H_OXY 0 0.0000 4.1210 -3.2190 0.6050 46 0 0 0 0 48 H18 H_ALI 0 0.0000 3.7110 -2.1860 -1.2390 29 0 0 0 51 49 H17 H_ALI 0 0.0000 1.5750 -0.9870 -1.4680 28 0 0 0 50 50 Q9 PSEUD 0 0.0000 2.0540 0.1795 0.2640 0 0 0 0 52 51 Q10 PSEUD 0 0.0000 4.1865 -1.0270 0.4870 0 0 0 0 52 52 QQB PSEUD 0 0.0000 3.1202 -0.4238 0.3755 0 0 0 0 0 53 C5 C_ARO 0 0.0000 -0.5620 3.0700 -0.1100 4 19 54 0 0 54 C4 C_ARO 0 0.0000 -1.7710 2.3720 -0.1420 53 55 59 0 0 55 N2 N_AMO 0 0.0000 -3.0820 2.8240 -0.2590 54 56 58 0 0 56 C11 C_BYL 0 0.0000 -3.9570 1.8040 -0.2460 55 57 60 0 0 57 O1 O_BYL 0 0.0000 -5.1660 1.8970 -0.3320 56 0 0 0 0 58 HN2 H_AMI 0 0.0000 -3.3320 3.7570 -0.3390 55 0 0 0 0 59 C3 C_ARO 0 0.0000 -1.7650 0.9760 -0.0450 21 54 60 0 0 60 C12 C_BYL 0 0.0000 -3.1830 0.5440 -0.1090 56 59 61 0 0 61 N3 N_AMI 0 0.0000 -3.6470 -0.6720 -0.0560 60 62 0 0 0 62 O4 O_EST 0 0.0000 -5.0420 -0.9010 -0.1320 61 63 0 0 0 63 C22 C_ALI 0 0.0000 -5.2330 -2.3150 -0.0480 62 64 74 75 0 64 C23 C_ALI 0 0.0000 -6.6340 -2.6090 0.4930 63 65 71 72 0 65 C24 C_ALI 0 0.0000 -6.7420 -2.1000 1.9310 64 66 68 69 0 66 O5 O_HYD 0 0.0000 -8.0510 -2.3740 2.4360 65 67 0 0 0 67 HO5 H_OXY 0 0.0000 -8.0770 -2.0380 3.3420 66 0 0 0 0 68 H241 H_ALI 0 0.0000 -6.0010 -2.6020 2.5520 65 0 0 0 70 69 H242 H_ALI 0 0.0000 -6.5640 -1.0240 1.9500 65 0 0 0 70 70 Q7 PSEUD 0 0.0000 -6.2825 -1.8130 2.2510 0 0 0 0 0 71 H231 H_ALI 0 0.0000 -7.3750 -2.1060 -0.1280 64 0 0 0 73 72 H232 H_ALI 0 0.0000 -6.8120 -3.6840 0.4730 64 0 0 0 73 73 Q8 PSEUD 0 0.0000 -7.0935 -2.8950 0.1725 0 0 0 0 0 74 H22 H_ALI 0 0.0000 -4.4870 -2.7430 0.6220 63 0 0 0 0 75 C25 C_BYL 0 0.0000 -5.0850 -2.9240 -1.4180 63 76 78 0 0 76 O6 O_HYD 0 0.0000 -5.2250 -4.2490 -1.5830 75 77 0 0 0 77 HO6 H_OXY 0 0.0000 -5.1300 -4.6400 -2.4620 76 0 0 0 0 78 O7 O_BYL 0 0.0000 -4.8410 -2.2200 -2.3700 75 0 0 0 0