REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE RESIDUE A76 33 134 1 134 1 CHI1 0 0 0.0000 2 1 3 4 22 2 CHI2 0 0 0.0000 1 3 4 5 8 3 CHI3 0 0 0.0000 1 3 9 10 22 4 CHI4 0 0 0.0000 3 9 10 11 19 5 PHI1 0 0 0.0000 2 1 23 25 0 6 PHI2 0 0 0.0000 1 23 25 40 0 7 CHI5 0 0 0.0000 23 25 26 27 38 8 CHI6 0 0 0.0000 25 26 27 28 31 9 CHI7 0 0 0.0000 25 26 32 33 36 10 PHI3 0 0 0.0000 23 25 40 42 0 11 PHI4 0 0 0.0000 25 40 42 44 0 12 PHI5 0 0 0.0000 40 42 44 64 0 13 CHI8 0 0 0.0000 42 44 45 46 62 14 CHI9 0 0 0.0000 44 45 46 47 57 15 PHI6 0 0 0.0000 42 44 64 68 0 16 CHI10 0 0 0.0000 44 64 65 66 66 17 PHI7 0 0 0.0000 44 64 68 72 0 18 CHI11 0 0 0.0000 64 68 69 70 70 19 PHI8 0 0 0.0000 64 68 72 92 0 20 CHI12 0 0 0.0000 68 72 73 74 90 21 CHI13 0 0 0.0000 72 73 74 75 85 22 PHI9 0 0 0.0000 68 72 92 94 0 23 PHI10 0 0 0.0000 72 92 94 96 0 24 PHI11 0 0 0.0000 92 94 96 111 0 25 CHI14 0 0 0.0000 94 96 97 98 109 26 CHI15 0 0 0.0000 96 97 98 99 102 27 CHI16 0 0 0.0000 96 97 103 104 107 28 PHI12 0 0 0.0000 94 96 111 113 0 29 PHI13 0 0 0.0000 96 111 113 115 0 30 PHI14 0 0 0.0000 111 113 115 121 0 31 CHI17 0 0 0.0000 113 115 116 117 120 32 PHI15 0 0 0.0000 113 115 121 125 0 33 PHI16 0 0 0.0000 115 121 125 129 0 1 C1 C_BYL 0 0.0000 -0.6390 -1.6180 -6.5800 2 3 23 0 0 2 O2 O_BYL 0 0.0000 -0.9910 -2.7340 -6.2490 1 0 0 0 0 3 N3 N_AMO 0 0.0000 -0.6010 -1.2840 -7.8850 1 4 9 0 0 4 C4 C_ALI 0 0.0000 -1.0790 -2.2280 -8.8980 3 5 6 7 0 5 H12 H_ALI 0 0.0000 -1.5080 -3.1010 -8.4070 4 0 0 0 8 6 H13 H_ALI 0 0.0000 -1.8400 -1.7460 -9.5120 4 0 0 0 8 7 H14 H_ALI 0 0.0000 -0.2450 -2.5380 -9.5280 4 0 0 0 8 8 Q1 PSEUD 0 0.0000 -1.1977 -2.4617 -9.1490 0 0 0 0 0 9 C5 C_ALI 0 0.0000 -0.0800 0.0240 -8.2900 3 10 20 21 0 10 C6 C_ARO 0 0.0000 1.4030 -0.0780 -8.5320 9 11 15 0 0 11 C7 C_ARO 0 0.0000 2.1100 1.0420 -8.9260 10 12 14 0 0 12 C9 C_ARO 0 0.0000 3.4740 0.9370 -9.1460 11 13 17 0 0 13 H18 H_ALI 0 0.0000 4.0520 1.7950 -9.4540 12 0 0 0 0 14 H17 H_ALI 0 0.0000 1.6050 1.9870 -9.0620 11 0 0 0 0 15 N8 N_AMO 0 0.0000 2.0130 -1.2340 -8.3600 10 16 0 0 0 16 C10 C_ARO 0 0.0000 3.3080 -1.3720 -8.5640 15 17 19 0 0 17 C11 C_ARO 0 0.0000 4.0800 -0.2960 -8.9600 12 16 18 0 0 18 H20 H_ALI 0 0.0000 5.1410 -0.4150 -9.1220 17 0 0 0 0 19 H19 H_ALI 0 0.0000 3.7720 -2.3360 -8.4170 16 0 0 0 0 20 H15 H_ALI 0 0.0000 -0.5760 0.3440 -9.2060 9 0 0 0 22 21 H16 H_ALI 0 0.0000 -0.2700 0.7510 -7.5010 9 0 0 0 22 22 Q2 PSEUD 0 0.0000 -0.4230 0.5475 -8.3535 0 0 0 0 0 23 N21 N_AMI 0 0.0000 -0.2870 -0.7170 -5.6420 1 24 25 0 0 24 H28 H_AMI 0 0.0000 0.0660 0.1450 -5.9070 23 0 0 0 0 25 C22 C_ALI 0 0.0000 -0.4400 -1.0400 -4.2210 23 26 39 40 0 26 C25 C_ALI 0 0.0000 0.8420 -1.6950 -3.7060 25 27 32 38 0 27 C26 C_ALI 0 0.0000 1.9760 -0.6690 -3.7120 26 28 29 30 0 28 H31 H_ALI 0 0.0000 2.8900 -1.1360 -3.3450 27 0 0 0 31 29 H32 H_ALI 0 0.0000 2.1350 -0.3080 -4.7280 27 0 0 0 31 30 H33 H_ALI 0 0.0000 1.7120 0.1680 -3.0660 27 0 0 0 31 31 Q3 PSEUD 0 0.0000 2.2457 -0.4253 -3.7130 0 0 0 0 37 32 C27 C_ALI 0 0.0000 0.6190 -2.2010 -2.2790 26 33 34 35 0 33 H34 H_ALI 0 0.0000 0.5250 -1.3510 -1.6030 32 0 0 0 36 34 H35 H_ALI 0 0.0000 -0.2920 -2.7970 -2.2440 32 0 0 0 36 35 H36 H_ALI 0 0.0000 1.4660 -2.8160 -1.9750 32 0 0 0 36 36 Q4 PSEUD 0 0.0000 0.5663 -2.3213 -1.9407 0 0 0 0 37 37 QQA PSEUD 0 0.0000 1.4060 -1.3733 -2.8268 0 0 0 0 0 38 H30 H_ALI 0 0.0000 1.1060 -2.5330 -4.3510 26 0 0 0 0 39 H29 H_ALI 0 0.0000 -1.2760 -1.7280 -4.0930 25 0 0 0 0 40 C23 C_BYL 0 0.0000 -0.7060 0.2230 -3.4440 25 41 42 0 0 41 O24 O_BYL 0 0.0000 -0.5670 1.3030 -3.9780 40 0 0 0 0 42 N37 N_AMI 0 0.0000 -1.0980 0.1530 -2.1570 40 43 44 0 0 43 H59 H_AMI 0 0.0000 -1.1170 -0.7030 -1.7020 42 0 0 0 0 44 C38 C_ALI 0 0.0000 -1.4950 1.3700 -1.4450 42 45 63 64 0 45 C39 C_ALI 0 0.0000 -3.0220 1.4700 -1.4180 44 46 60 61 0 46 C40 C_ARO 0 0.0000 -3.5460 1.5200 -2.8300 45 47 51 0 0 47 C41 C_ARO 0 0.0000 -3.8650 0.3490 -3.4910 46 48 50 0 0 48 C42 C_ARO 0 0.0000 -4.3470 0.3950 -4.7860 47 49 53 0 0 49 H64 H_ALI 0 0.0000 -4.5950 -0.5190 -5.3030 48 0 0 0 58 50 H63 H_ALI 0 0.0000 -3.7390 -0.6010 -2.9960 47 0 0 0 57 51 C45 C_ARO 0 0.0000 -3.7130 2.7380 -3.4620 46 52 56 0 0 52 C44 C_ARO 0 0.0000 -4.1900 2.7840 -4.7590 51 53 55 0 0 53 C43 C_ARO 0 0.0000 -4.5090 1.6130 -5.4200 48 52 54 0 0 54 H65 H_ALI 0 0.0000 -4.8840 1.6490 -6.4320 53 0 0 0 0 55 H66 H_ALI 0 0.0000 -4.3170 3.7350 -5.2540 52 0 0 0 58 56 H67 H_ALI 0 0.0000 -3.4650 3.6530 -2.9460 51 0 0 0 57 57 Q11 PSEUD 0 0.0000 -3.6020 1.5260 -2.9710 0 0 0 0 59 58 Q12 PSEUD 0 0.0000 -4.4560 1.6080 -5.2785 0 0 0 0 59 59 QQC PSEUD 0 0.0000 -4.0290 1.5670 -4.1248 0 0 0 0 0 60 H61 H_ALI 0 0.0000 -3.4340 0.6000 -0.9080 45 0 0 0 62 61 H62 H_ALI 0 0.0000 -3.3170 2.3760 -0.8880 45 0 0 0 62 62 Q5 PSEUD 0 0.0000 -3.3755 1.4880 -0.8980 0 0 0 0 0 63 H60 H_ALI 0 0.0000 -1.0830 2.2400 -1.9550 44 0 0 0 0 64 C46 C_ALI 0 0.0000 -0.9630 1.3190 -0.0110 44 65 67 68 0 65 O47 O_HYD 0 0.0000 -1.3640 0.0930 0.6020 64 66 0 0 0 66 H69 H_OXY 0 0.0000 -0.9580 -0.6210 0.0920 65 0 0 0 0 67 H68 H_ALI 0 0.0000 -1.3650 2.1580 0.5550 64 0 0 0 0 68 C49 C_ALI 0 0.0000 0.5640 1.4020 -0.0310 64 69 71 72 0 69 O48 O_HYD 0 0.0000 1.0970 0.2290 -0.6480 68 70 0 0 0 70 H70 H_OXY 0 0.0000 0.8880 -0.5130 -0.0640 69 0 0 0 0 71 H71 H_ALI 0 0.0000 0.8720 2.2820 -0.5970 68 0 0 0 0 72 C51 C_ALI 0 0.0000 1.0880 1.5080 1.4010 68 73 91 92 0 73 C52 C_ALI 0 0.0000 2.5990 1.7470 1.3760 72 74 88 89 0 74 C53 C_ARO 0 0.0000 3.1150 1.8510 2.7880 73 75 79 0 0 75 C54 C_ARO 0 0.0000 3.5390 0.7170 3.4540 74 76 78 0 0 76 C55 C_ARO 0 0.0000 4.0130 0.8120 4.7490 75 77 81 0 0 77 H77 H_ALI 0 0.0000 4.3430 -0.0730 5.2700 76 0 0 0 86 78 H76 H_ALI 0 0.0000 3.5000 -0.2430 2.9630 75 0 0 0 85 79 C58 C_ARO 0 0.0000 3.1700 3.0820 3.4150 74 80 84 0 0 80 C57 C_ARO 0 0.0000 3.6390 3.1770 4.7110 79 81 83 0 0 81 C56 C_ARO 0 0.0000 4.0620 2.0430 5.3780 76 80 82 0 0 82 H78 H_ALI 0 0.0000 4.4320 2.1170 6.3900 81 0 0 0 0 83 H79 H_ALI 0 0.0000 3.6780 4.1380 5.2030 80 0 0 0 86 84 H80 H_ALI 0 0.0000 2.8390 3.9690 2.8940 79 0 0 0 85 85 Q13 PSEUD 0 0.0000 3.1695 1.8630 2.9285 0 0 0 0 87 86 Q14 PSEUD 0 0.0000 4.0105 2.0325 5.2365 0 0 0 0 87 87 QQD PSEUD 0 0.0000 3.5900 1.9478 4.0825 0 0 0 0 0 88 H74 H_ALI 0 0.0000 3.0900 0.9160 0.8700 73 0 0 0 90 89 H75 H_ALI 0 0.0000 2.8110 2.6740 0.8420 73 0 0 0 90 90 Q6 PSEUD 0 0.0000 2.9505 1.7950 0.8560 0 0 0 0 0 91 H73 H_ALI 0 0.0000 0.5970 2.3390 1.9070 72 0 0 0 0 92 N50 N_AMI 0 0.0000 0.8030 0.2630 2.1190 72 93 94 0 0 93 H72 H_AMI 0 0.0000 0.7630 -0.5760 1.6350 92 0 0 0 0 94 C83 C_BYL 0 0.0000 0.5950 0.2850 3.4500 92 95 96 0 0 95 O84 O_BYL 0 0.0000 0.5200 1.3450 4.0350 94 0 0 0 0 96 C82 C_ALI 0 0.0000 0.4570 -1.0070 4.2120 94 97 110 111 0 97 C85 C_ALI 0 0.0000 -0.8840 -1.6580 3.8740 96 98 103 109 0 98 C86 C_ALI 0 0.0000 -2.0080 -0.6360 4.0610 97 99 100 101 0 99 H91 H_ALI 0 0.0000 -2.9640 -1.1000 3.8200 98 0 0 0 102 100 H92 H_ALI 0 0.0000 -2.0200 -0.2950 5.0970 98 0 0 0 102 101 H93 H_ALI 0 0.0000 -1.8390 0.2130 3.4010 98 0 0 0 102 102 Q7 PSEUD 0 0.0000 -2.2743 -0.3940 4.1060 0 0 0 0 0 103 C87 C_ALI 0 0.0000 -0.8680 -2.1370 2.4210 97 104 105 106 108 104 H94 H_ALI 0 0.0000 -0.7790 -1.2770 1.7560 103 0 0 0 107 105 H95 H_ALI 0 0.0000 -0.0190 -2.8040 2.2680 103 0 0 0 107 106 H96 H_ALI 0 0.0000 -1.7930 -2.6700 2.2040 103 0 0 0 107 107 Q8 PSEUD 0 0.0000 -0.8637 -2.2503 2.0760 0 0 0 0 0 108 QQB PSEUD 0 0.0000 0.8727 0.2382 1.2105 0 0 0 0 108 109 H90 H_ALI 0 0.0000 -1.0530 -2.5080 4.5350 97 0 0 0 0 110 H89 H_ALI 0 0.0000 1.2680 -1.6810 3.9350 96 0 0 0 0 111 N81 N_AMI 0 0.0000 0.5200 -0.7350 5.6510 96 112 113 0 0 112 H88 H_AMI 0 0.0000 0.2050 0.1140 5.9980 111 0 0 0 0 113 C97 C_BYL 0 0.0000 1.0140 -1.6650 6.4920 111 114 115 0 0 114 O98 O_BYL 0 0.0000 1.4910 -2.6920 6.0490 113 0 0 0 0 115 N99 N_AMI 0 0.0000 0.9810 -1.4560 7.8230 113 116 121 0 0 116 C2 C_ALI 0 0.0000 1.4050 -2.5150 8.7410 115 117 118 119 0 117 H1 H_ALI 0 0.0000 1.7960 -3.3570 8.1700 116 0 0 0 120 118 H10 H_ALI 0 0.0000 2.1830 -2.1320 9.4020 116 0 0 0 120 119 H11 H_ALI 0 0.0000 0.5530 -2.8430 9.3360 116 0 0 0 120 120 Q9 PSEUD 0 0.0000 1.5107 -2.7773 8.9693 0 0 0 0 0 121 C3 C_ALI 0 0.0000 0.5200 -0.1690 8.3510 115 122 123 125 0 122 H2 H_ALI 0 0.0000 1.0230 0.0360 9.2950 121 0 0 0 124 123 H3 H_ALI 0 0.0000 0.7500 0.6200 7.6360 121 0 0 0 124 124 Q10 PSEUD 0 0.0000 0.8865 0.3280 8.4655 0 0 0 0 0 125 C8 C_ARO 0 0.0000 -0.9690 -0.2230 8.5760 121 126 129 0 0 126 N10 N_AMO 0 0.0000 -1.6310 -1.3270 8.2900 125 127 0 0 0 127 C14 C_ARO 0 0.0000 -2.9330 -1.4220 8.4760 126 128 133 0 0 128 H6 H_ALI 0 0.0000 -3.4410 -2.3440 8.2340 127 0 0 0 0 129 C12 C_ARO 0 0.0000 -1.6250 0.8860 9.0740 125 130 131 0 0 130 H4 H_ALI 0 0.0000 -1.0780 1.7880 9.3020 129 0 0 0 0 131 C13 C_ARO 0 0.0000 -2.9950 0.8250 9.2770 129 132 133 0 0 132 H5 H_ALI 0 0.0000 -3.5340 1.6770 9.6650 131 0 0 0 0 133 C15 C_ARO 0 0.0000 -3.6570 -0.3530 8.9700 127 131 134 0 0 134 H7 H_ALI 0 0.0000 -4.7230 -0.4360 9.1160 133 0 0 0 0