REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE RESIDUE MQQ 21 102 1 102 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 2 1 10 11 18 4 CHI4 0 0 0.0000 1 10 11 12 15 5 PHI1 0 0 0.0000 2 1 19 21 0 6 PHI2 0 0 0.0000 1 19 21 23 0 7 PHI3 0 0 0.0000 19 21 23 50 0 8 CHI5 0 0 0.0000 21 23 24 25 48 9 CHI6 0 0 0.0000 23 24 25 26 45 10 CHI7 0 0 0.0000 24 25 26 27 42 11 CHI8 0 0 0.0000 25 26 27 28 38 12 PHI4 0 0 0.0000 21 23 50 52 0 13 PHI5 0 0 0.0000 23 50 52 54 0 14 PHI6 0 0 0.0000 50 52 54 78 0 15 CHI9 0 0 0.0000 52 54 55 56 76 16 CHI10 0 0 0.0000 54 55 56 57 73 17 CHI11 0 0 0.0000 55 56 57 58 68 18 PHI7 0 0 0.0000 52 54 78 82 0 19 PHI8 0 0 0.0000 54 78 82 86 0 20 PHI9 0 0 0.0000 78 82 86 102 0 21 CHI12 0 0 0.0000 82 86 87 88 98 1 N3 N_AMI 0 0.0000 -0.8260 -4.1180 -1.4930 2 10 19 0 0 2 C2 C_ALI 0 0.0000 -1.3090 -5.1260 -0.5340 1 3 7 8 0 3 C3 C_ALI 0 0.0000 -2.5840 -5.7560 -1.1040 2 4 5 12 0 4 H31A H_ALI 0 0.0000 -2.9200 -6.5570 -0.4460 3 0 0 0 6 5 H32 H_ALI 0 0.0000 -3.3630 -4.9960 -1.1770 3 0 0 0 6 6 Q1 PSEUD 0 0.0000 -3.1415 -5.7765 -0.8115 0 0 0 0 0 7 H21A H_ALI 0 0.0000 -0.5490 -5.8960 -0.3960 2 0 0 0 9 8 H22 H_ALI 0 0.0000 -1.5290 -4.6500 0.4210 2 0 0 0 9 9 Q2 PSEUD 0 0.0000 -1.0390 -5.2730 0.0125 0 0 0 0 0 10 C4 C_ALI 0 0.0000 -0.7670 -4.5050 -2.9130 1 11 16 17 0 11 C5 C_ALI 0 0.0000 -2.0840 -5.1890 -3.2810 10 12 13 14 0 12 O6 O_EST 0 0.0000 -2.3170 -6.2870 -2.4010 3 11 0 0 0 13 H51A H_ALI 0 0.0000 -2.0310 -5.5510 -4.3080 11 0 0 0 15 14 H52 H_ALI 0 0.0000 -2.8990 -4.4720 -3.1910 11 0 0 0 15 15 Q3 PSEUD 0 0.0000 -2.4650 -5.0115 -3.7495 0 0 0 0 0 16 H41 H_ALI 0 0.0000 -0.6270 -3.6190 -3.5330 10 0 0 0 18 17 H42 H_ALI 0 0.0000 0.0620 -5.1960 -3.0660 10 0 0 0 18 18 Q4 PSEUD 0 0.0000 -0.2825 -4.4075 -3.2995 0 0 0 0 0 19 C11 C_BYL 0 0.0000 -0.4580 -2.8860 -1.0880 1 20 21 0 0 20 O1 O_BYL 0 0.0000 -0.1690 -2.0370 -1.9090 19 0 0 0 0 21 N1 N_AMI 0 0.0000 -0.4100 -2.5960 0.2280 19 22 23 0 0 22 HN1 H_AMI 0 0.0000 -0.5660 -3.2930 0.8840 21 0 0 0 0 23 CA C_ALI 0 0.0000 -0.1220 -1.2280 0.6660 21 24 49 50 0 24 CB C_ALI 0 0.0000 1.2510 -0.8040 0.1430 23 25 46 47 0 25 CG C_ALI 0 0.0000 2.3330 -1.6710 0.7890 24 26 43 44 0 26 SD S_XXX 0 0.0000 3.9620 -1.1680 0.1700 25 27 41 42 0 27 CE C_ARO 0 0.0000 5.0650 -2.2570 1.0080 26 28 32 0 0 28 CD1 C_ARO 0 0.0000 5.5990 -1.8940 2.2300 27 29 31 0 0 29 CX1 C_ARO 0 0.0000 6.4600 -2.7500 2.8900 28 30 34 0 0 30 HX1 H_ALI 0 0.0000 6.8740 -2.4690 3.8470 29 0 0 0 39 31 HD1 H_ALI 0 0.0000 5.3370 -0.9440 2.6730 28 0 0 0 38 32 CD2 C_ARO 0 0.0000 5.4000 -3.4720 0.4410 27 33 37 0 0 33 CX2 C_ARO 0 0.0000 6.2650 -4.3270 1.0980 32 34 36 0 0 34 CZ C_ARO 0 0.0000 6.7950 -3.9660 2.3230 29 33 35 0 0 35 HZ H_ALI 0 0.0000 7.4700 -4.6340 2.8370 34 0 0 0 0 36 HX2 H_ALI 0 0.0000 6.5270 -5.2760 0.6560 33 0 0 0 39 37 HD2 H_ALI 0 0.0000 4.9860 -3.7540 -0.5160 32 0 0 0 38 38 Q11 PSEUD 0 0.0000 5.1615 -2.3490 1.0785 0 0 0 0 40 39 Q12 PSEUD 0 0.0000 6.7005 -3.8725 2.2515 0 0 0 0 40 40 QQA PSEUD 0 0.0000 5.9310 -3.1107 1.6650 0 0 0 0 0 41 O2 O_XXX 0 0.0000 4.1390 -1.5290 -1.1930 26 0 0 0 0 42 O3 O_XXX 0 0.0000 4.3400 0.1080 0.6680 26 0 0 0 0 43 HG1 H_ALI 0 0.0000 2.3020 -1.5460 1.8720 25 0 0 0 45 44 HG2 H_ALI 0 0.0000 2.1570 -2.7180 0.5390 25 0 0 0 45 45 Q5 PSEUD 0 0.0000 2.2295 -2.1320 1.2055 0 0 0 0 0 46 HB1 H_ALI 0 0.0000 1.2830 -0.9290 -0.9390 24 0 0 0 48 47 HB2 H_ALI 0 0.0000 1.4280 0.2430 0.3930 24 0 0 0 48 48 Q6 PSEUD 0 0.0000 1.3555 -0.3430 -0.2730 0 0 0 0 0 49 HA H_ALI 0 0.0000 -0.1250 -1.1880 1.7550 23 0 0 0 0 50 C C_BYL 0 0.0000 -1.1760 -0.2960 0.1260 23 51 52 0 0 51 O O_BYL 0 0.0000 -1.8510 -0.6290 -0.8250 50 0 0 0 0 52 N2 N_AMI 0 0.0000 -1.3710 0.9070 0.7020 50 53 54 0 0 53 HN2 H_AMI 0 0.0000 -0.8310 1.1730 1.4630 52 0 0 0 0 54 CA1 C_ALI 0 0.0000 -2.3990 1.8110 0.1810 52 55 77 78 0 55 CB3 C_ALI 0 0.0000 -3.7520 1.4570 0.8010 54 56 74 75 0 56 CB2 C_ALI 0 0.0000 -4.1730 0.0590 0.3440 55 57 71 72 0 57 CG1 C_ARO 0 0.0000 -5.5060 -0.2900 0.9550 56 58 62 0 0 58 CDB C_ARO 0 0.0000 -6.6750 0.0270 0.2900 57 59 61 0 0 59 CE1 C_ARO 0 0.0000 -7.8980 -0.2920 0.8510 58 60 64 0 0 60 HE1 H_ALI 0 0.0000 -8.8110 -0.0440 0.3320 59 0 0 0 69 61 HCD1 H_ALI 0 0.0000 -6.6340 0.5260 -0.6670 58 0 0 0 68 62 CDC C_ARO 0 0.0000 -5.5580 -0.9320 2.1780 57 63 67 0 0 63 CE2 C_ARO 0 0.0000 -6.7810 -1.2480 2.7410 62 64 66 0 0 64 CZ1 C_ARO 0 0.0000 -7.9500 -0.9300 2.0770 59 63 65 0 0 65 HZ1 H_ALI 0 0.0000 -8.9050 -1.1790 2.5150 64 0 0 0 0 66 HE2 H_ALI 0 0.0000 -6.8220 -1.7460 3.6990 63 0 0 0 69 67 HCD2 H_ALI 0 0.0000 -4.6440 -1.1810 2.6970 62 0 0 0 68 68 Q13 PSEUD 0 0.0000 -5.6390 -0.3275 1.0150 0 0 0 0 70 69 Q14 PSEUD 0 0.0000 -7.8165 -0.8950 2.0155 0 0 0 0 70 70 QQB PSEUD 0 0.0000 -6.7277 -0.6113 1.5152 0 0 0 0 0 71 HB21 H_ALI 0 0.0000 -4.2560 0.0420 -0.7430 56 0 0 0 73 72 HB22 H_ALI 0 0.0000 -3.4260 -0.6680 0.6630 56 0 0 0 73 73 Q7 PSEUD 0 0.0000 -3.8410 -0.3130 -0.0400 0 0 0 0 0 74 HB31 H_ALI 0 0.0000 -3.6690 1.4740 1.8880 55 0 0 0 76 75 HB32 H_ALI 0 0.0000 -4.4990 2.1840 0.4830 55 0 0 0 76 76 Q8 PSEUD 0 0.0000 -4.0840 1.8290 1.1855 0 0 0 0 0 77 HA1 H_ALI 0 0.0000 -2.4580 1.7070 -0.9030 54 0 0 0 0 78 CT C_ALI 0 0.0000 -2.0370 3.2540 0.5360 54 79 80 82 0 79 HT1 H_ALI 0 0.0000 -2.8440 3.9180 0.2270 78 0 0 0 81 80 HT2 H_ALI 0 0.0000 -1.8910 3.3370 1.6130 78 0 0 0 81 81 Q9 PSEUD 0 0.0000 -2.3675 3.6275 0.9200 0 0 0 0 0 82 CM C_ALI 0 0.0000 -0.7470 3.6490 -0.1860 78 83 84 86 0 83 HM1 H_ALI 0 0.0000 0.0600 2.9850 0.1240 82 0 0 0 85 84 HM2 H_ALI 0 0.0000 -0.8930 3.5660 -1.2620 82 0 0 0 85 85 Q10 PSEUD 0 0.0000 -0.4165 3.2755 -0.5690 0 0 0 0 0 86 S1 S_XXX 0 0.0000 -0.3170 5.3600 0.2360 82 87 101 102 0 87 C41 C_ARO 0 0.0000 1.1680 5.6360 -0.6700 86 88 92 0 0 88 C31 C_ARO 0 0.0000 2.3930 5.3590 -0.0910 87 89 91 0 0 89 C21 C_ARO 0 0.0000 3.5580 5.5710 -0.8030 88 90 94 0 0 90 H21 H_ALI 0 0.0000 4.5140 5.3500 -0.3530 89 0 0 0 99 91 H31 H_ALI 0 0.0000 2.4380 4.9700 0.9150 88 0 0 0 98 92 C51 C_ARO 0 0.0000 1.1100 6.1350 -1.9580 87 93 97 0 0 93 C6 C_ARO 0 0.0000 2.2760 6.3510 -2.6690 92 94 96 0 0 94 C1 C_ARO 0 0.0000 3.5000 6.0690 -2.0920 89 93 95 0 0 95 H1 H_ALI 0 0.0000 4.4100 6.2370 -2.6470 94 0 0 0 0 96 H6 H_ALI 0 0.0000 2.2300 6.7400 -3.6750 93 0 0 0 99 97 H51 H_ALI 0 0.0000 0.1540 6.3550 -2.4090 92 0 0 0 98 98 Q15 PSEUD 0 0.0000 1.2960 5.6625 -0.7470 0 0 0 0 100 99 Q16 PSEUD 0 0.0000 3.3720 6.0450 -2.0140 0 0 0 0 100 100 QQC PSEUD 0 0.0000 2.3340 5.8538 -1.3805 0 0 0 0 0 101 O11 O_XXX 0 0.0000 -1.2210 6.2860 -0.3510 86 0 0 0 0 102 O21 O_XXX 0 0.0000 0.1110 5.4750 1.5860 86 0 0 0 0