REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{1-BENZYL-3-HYDROXY-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 A78 32 142 1 142 1 CHI1 0 0 0.0000 2 1 3 4 26 2 CHI2 0 0 0.0000 1 3 4 5 8 3 CHI3 0 0 0.0000 1 3 9 10 26 4 CHI4 0 0 0.0000 3 9 10 11 21 5 PHI1 0 0 0.0000 2 1 27 29 0 6 PHI2 0 0 0.0000 1 27 29 44 0 7 CHI5 0 0 0.0000 27 29 30 31 42 8 CHI6 0 0 0.0000 29 30 31 32 35 9 CHI7 0 0 0.0000 29 30 36 37 40 10 PHI3 0 0 0.0000 27 29 44 46 0 11 PHI4 0 0 0.0000 29 44 46 48 0 12 PHI5 0 0 0.0000 44 46 48 68 0 13 CHI8 0 0 0.0000 46 48 49 50 66 14 CHI9 0 0 0.0000 48 49 50 51 61 15 PHI6 0 0 0.0000 46 48 68 72 0 16 PHI7 0 0 0.0000 48 68 72 76 0 17 CHI10 0 0 0.0000 68 72 73 74 74 18 PHI8 0 0 0.0000 68 72 76 96 0 19 CHI11 0 0 0.0000 72 76 77 78 94 20 CHI12 0 0 0.0000 76 77 78 79 89 21 PHI9 0 0 0.0000 72 76 96 98 0 22 PHI10 0 0 0.0000 76 96 98 100 0 23 PHI11 0 0 0.0000 96 98 100 115 0 24 CHI13 0 0 0.0000 98 100 101 102 113 25 CHI14 0 0 0.0000 100 101 102 103 106 26 CHI15 0 0 0.0000 100 101 107 108 111 27 PHI12 0 0 0.0000 98 100 115 117 0 28 PHI13 0 0 0.0000 100 115 117 119 0 29 PHI14 0 0 0.0000 115 117 119 125 0 30 CHI16 0 0 0.0000 117 119 120 121 124 31 PHI15 0 0 0.0000 117 119 125 129 0 32 PHI16 0 0 0.0000 119 125 129 134 0 1 C1 C_BYL 0 0.0000 -6.6120 -0.6360 -1.6630 2 3 27 0 0 2 O2 O_BYL 0 0.0000 -6.3140 -0.8940 -2.8130 1 0 0 0 0 3 N3 N_AMO 0 0.0000 -7.9070 -0.6160 -1.2900 1 4 9 0 0 4 C4 C_ALI 0 0.0000 -8.9480 -1.0260 -2.2360 3 5 6 7 0 5 H12 H_ALI 0 0.0000 -8.4830 -1.3990 -3.1480 4 0 0 0 8 6 H13 H_ALI 0 0.0000 -9.5550 -1.8130 -1.7890 4 0 0 0 8 7 H14 H_ALI 0 0.0000 -9.5800 -0.1700 -2.4740 4 0 0 0 8 8 Q1 PSEUD 0 0.0000 -9.2060 -1.1273 -2.4703 0 0 0 0 0 9 C5 C_ALI 0 0.0000 -8.2740 -0.1840 0.0610 3 10 24 25 0 10 C6 C_ARO 0 0.0000 -8.5110 1.3040 0.0660 9 11 15 0 0 11 C7 C_ARO 0 0.0000 -9.7950 1.7920 -0.0840 10 12 14 0 0 12 C9 C_ARO 0 0.0000 -10.0020 3.1620 -0.0780 11 13 17 0 0 13 H19 H_ALI 0 0.0000 -10.9950 3.5720 -0.1940 12 0 0 0 22 14 H17 H_ALI 0 0.0000 -10.6270 1.1140 -0.2060 11 0 0 0 21 15 N8 N_AMO 0 0.0000 -7.4910 2.1260 0.2190 10 16 20 0 0 16 C10 C_ARO 0 0.0000 -7.6500 3.4350 0.2250 15 17 19 0 0 17 C11 C_ARO 0 0.0000 -8.9050 3.9950 0.0800 12 16 18 0 0 18 H21 H_ALI 0 0.0000 -9.0290 5.0680 0.0900 17 0 0 0 0 19 H20 H_ALI 0 0.0000 -6.7900 4.0770 0.3490 16 0 0 0 22 20 H18 H_AMI 0 0.0000 -6.5990 1.7580 0.3230 15 0 0 0 21 21 Q12 PSEUD 0 0.0000 -8.6130 1.4360 0.0585 0 0 0 0 23 22 Q13 PSEUD 0 0.0000 -8.8925 3.8245 0.0775 0 0 0 0 23 23 QQC PSEUD 0 0.0000 -8.7528 2.6302 0.0680 0 0 0 0 0 24 H15 H_ALI 0 0.0000 -9.1830 -0.6980 0.3720 9 0 0 0 26 25 H16 H_ALI 0 0.0000 -7.4650 -0.4260 0.7520 9 0 0 0 26 26 Q2 PSEUD 0 0.0000 -8.3240 -0.5620 0.5620 0 0 0 0 0 27 N22 N_AMI 0 0.0000 -5.6470 -0.3690 -0.7610 1 28 29 0 0 28 H29 H_AMI 0 0.0000 -5.8850 -0.0770 0.1330 27 0 0 0 0 29 C23 C_ALI 0 0.0000 -4.2370 -0.5190 -1.1300 27 30 43 44 0 30 C26 C_ALI 0 0.0000 -3.7490 0.7600 -1.8120 29 31 36 42 0 31 C27 C_ALI 0 0.0000 -3.7190 1.9010 -0.7930 30 32 33 34 0 32 H32 H_ALI 0 0.0000 -3.3720 2.8130 -1.2790 31 0 0 0 35 33 H33 H_ALI 0 0.0000 -4.7220 2.0610 -0.3970 31 0 0 0 35 34 H34 H_ALI 0 0.0000 -3.0430 1.6430 0.0210 31 0 0 0 35 35 Q3 PSEUD 0 0.0000 -3.7123 2.1723 -0.5517 0 0 0 0 41 36 C28 C_ALI 0 0.0000 -2.3420 0.5370 -2.3690 30 37 38 39 0 37 H35 H_ALI 0 0.0000 -1.6780 0.2240 -1.5630 36 0 0 0 40 38 H36 H_ALI 0 0.0000 -2.3730 -0.2380 -3.1360 36 0 0 0 40 39 H37 H_ALI 0 0.0000 -1.9720 1.4650 -2.8050 36 0 0 0 40 40 Q4 PSEUD 0 0.0000 -2.0077 0.4837 -2.5013 0 0 0 0 41 41 QQA PSEUD 0 0.0000 -2.8600 1.3280 -1.5265 0 0 0 0 0 42 H31 H_ALI 0 0.0000 -4.4260 1.0180 -2.6270 30 0 0 0 0 43 H30 H_ALI 0 0.0000 -4.1290 -1.3600 -1.8150 29 0 0 0 0 44 C24 C_BYL 0 0.0000 -3.4170 -0.7720 0.1090 29 45 46 0 0 45 O25 O_BYL 0 0.0000 -3.8970 -0.5730 1.2050 44 0 0 0 0 46 N38 N_AMI 0 0.0000 -2.1510 -1.2190 -0.0010 44 47 48 0 0 47 H59 H_AMI 0 0.0000 -1.7350 -1.2900 -0.8740 46 0 0 0 0 48 C39 C_ALI 0 0.0000 -1.4010 -1.5990 1.2000 46 49 67 68 0 49 C40 C_ALI 0 0.0000 -1.2620 -3.1210 1.2540 48 50 64 65 0 50 C41 C_ARO 0 0.0000 -2.6240 -3.7440 1.4210 49 51 55 0 0 51 C42 C_ARO 0 0.0000 -3.3700 -4.0840 0.3080 50 52 54 0 0 52 C43 C_ARO 0 0.0000 -4.6200 -4.6550 0.4610 51 53 57 0 0 53 H64 H_ALI 0 0.0000 -5.2030 -4.9200 -0.4080 52 0 0 0 62 54 H63 H_ALI 0 0.0000 -2.9770 -3.9020 -0.6810 51 0 0 0 61 55 C46 C_ARO 0 0.0000 -3.1250 -3.9810 2.6880 50 56 60 0 0 56 C45 C_ARO 0 0.0000 -4.3760 -4.5490 2.8410 55 57 59 0 0 57 C44 C_ARO 0 0.0000 -5.1230 -4.8870 1.7280 52 56 58 0 0 58 H65 H_ALI 0 0.0000 -6.0990 -5.3330 1.8470 57 0 0 0 0 59 H66 H_ALI 0 0.0000 -4.7700 -4.7300 3.8300 56 0 0 0 62 60 H67 H_ALI 0 0.0000 -2.5420 -3.7170 3.5570 55 0 0 0 61 61 Q14 PSEUD 0 0.0000 -2.7595 -3.8095 1.4380 0 0 0 0 63 62 Q15 PSEUD 0 0.0000 -4.9865 -4.8250 1.7110 0 0 0 0 63 63 QQD PSEUD 0 0.0000 -3.8730 -4.3172 1.5745 0 0 0 0 0 64 H61 H_ALI 0 0.0000 -0.8100 -3.4780 0.3290 49 0 0 0 66 65 H62 H_ALI 0 0.0000 -0.6300 -3.3980 2.0980 49 0 0 0 66 66 Q5 PSEUD 0 0.0000 -0.7200 -3.4380 1.2135 0 0 0 0 0 67 H60 H_ALI 0 0.0000 -1.9330 -1.2500 2.0850 48 0 0 0 0 68 C47 C_ALI 0 0.0000 -0.0110 -0.9610 1.1550 48 69 70 72 0 69 H68 H_ALI 0 0.0000 0.5840 -1.3290 1.9910 68 0 0 0 71 70 H69 H_ALI 0 0.0000 0.4790 -1.2220 0.2180 68 0 0 0 71 71 Q6 PSEUD 0 0.0000 0.5315 -1.2755 1.1045 0 0 0 0 0 72 C49 C_ALI 0 0.0000 -0.1440 0.5600 1.2550 68 73 75 76 0 73 O48 O_HYD 0 0.0000 -0.8240 1.0550 0.1000 72 74 0 0 0 74 H70 H_OXY 0 0.0000 -0.2840 0.8170 -0.6660 73 0 0 0 0 75 H71 H_ALI 0 0.0000 -0.7120 0.8170 2.1490 72 0 0 0 0 76 C51 C_ALI 0 0.0000 1.2480 1.1900 1.3370 72 77 95 96 0 77 C52 C_ALI 0 0.0000 1.1150 2.7100 1.4360 76 78 92 93 0 78 C53 C_ARO 0 0.0000 2.4770 3.3220 1.6400 77 79 83 0 0 79 C54 C_ARO 0 0.0000 3.2390 3.6920 0.5480 78 80 82 0 0 80 C55 C_ARO 0 0.0000 4.4890 4.2520 0.7350 79 81 85 0 0 81 H77 H_ALI 0 0.0000 5.0840 4.5410 -0.1190 80 0 0 0 90 82 H76 H_ALI 0 0.0000 2.8580 3.5430 -0.4520 79 0 0 0 89 83 C58 C_ARO 0 0.0000 2.9620 3.5180 2.9200 78 84 88 0 0 84 C57 C_ARO 0 0.0000 4.2140 4.0740 3.1070 83 85 87 0 0 85 C56 C_ARO 0 0.0000 4.9760 4.4440 2.0140 80 84 86 0 0 86 H78 H_ALI 0 0.0000 5.9530 4.8810 2.1600 85 0 0 0 0 87 H79 H_ALI 0 0.0000 4.5950 4.2230 4.1060 84 0 0 0 90 88 H80 H_ALI 0 0.0000 2.3670 3.2290 3.7730 83 0 0 0 89 89 Q16 PSEUD 0 0.0000 2.6125 3.3860 1.6605 0 0 0 0 91 90 Q17 PSEUD 0 0.0000 4.8395 4.3820 1.9935 0 0 0 0 91 91 QQE PSEUD 0 0.0000 3.7260 3.8840 1.8270 0 0 0 0 0 92 H74 H_ALI 0 0.0000 0.6760 3.0980 0.5170 77 0 0 0 94 93 H75 H_ALI 0 0.0000 0.4730 2.9650 2.2800 77 0 0 0 94 94 Q7 PSEUD 0 0.0000 0.5745 3.0315 1.3985 0 0 0 0 0 95 H73 H_ALI 0 0.0000 1.7660 0.8120 2.2180 76 0 0 0 0 96 N50 N_AMI 0 0.0000 2.0110 0.8440 0.1350 76 97 98 0 0 97 H72 H_AMI 0 0.0000 1.5470 0.6250 -0.6880 96 0 0 0 0 98 C83 C_BYL 0 0.0000 3.3590 0.8300 0.1740 96 99 100 0 0 99 O84 O_BYL 0 0.0000 3.9390 1.1030 1.2030 98 0 0 0 0 100 C82 C_ALI 0 0.0000 4.1440 0.4740 -1.0620 98 101 114 115 0 101 C85 C_ALI 0 0.0000 3.7720 -0.9400 -1.5130 100 102 107 113 0 102 C86 C_ALI 0 0.0000 4.5700 -1.3010 -2.7680 101 103 104 105 0 103 H91 H_ALI 0 0.0000 4.3050 -2.3080 -3.0900 102 0 0 0 106 104 H92 H_ALI 0 0.0000 4.3360 -0.5930 -3.5630 102 0 0 0 106 105 H93 H_ALI 0 0.0000 5.6360 -1.2590 -2.5460 102 0 0 0 106 106 Q8 PSEUD 0 0.0000 4.7590 -1.3867 -3.0663 0 0 0 0 0 107 C87 C_ALI 0 0.0000 4.1000 -1.9340 -0.3970 101 108 109 110 112 108 H94 H_ALI 0 0.0000 3.5320 -1.6770 0.4970 107 0 0 0 111 109 H95 H_ALI 0 0.0000 3.8350 -2.9410 -0.7190 107 0 0 0 111 110 H96 H_ALI 0 0.0000 5.1660 -1.8920 -0.1750 107 0 0 0 111 111 Q9 PSEUD 0 0.0000 4.1777 -2.1700 -0.1323 0 0 0 0 0 112 QQB PSEUD 0 0.0000 3.3567 0.3397 -0.1985 0 0 0 0 112 113 H90 H_ALI 0 0.0000 2.7060 -0.9820 -1.7360 101 0 0 0 0 114 H89 H_ALI 0 0.0000 3.9110 1.1820 -1.8570 100 0 0 0 0 115 N81 N_AMI 0 0.0000 5.5770 0.5310 -0.7630 100 116 117 0 0 116 H88 H_AMI 0 0.0000 5.8880 0.4080 0.1480 115 0 0 0 0 117 C97 C_BYL 0 0.0000 6.4640 0.7530 -1.7530 115 118 119 0 0 118 O98 O_BYL 0 0.0000 6.0750 0.9020 -2.8960 117 0 0 0 0 119 N99 N_AMI 0 0.0000 7.7820 0.8090 -1.4780 117 120 125 0 0 120 C2 C_ALI 0 0.0000 8.7400 1.1270 -2.5390 119 121 122 123 0 121 H10 H_ALI 0 0.0000 9.2220 2.0800 -2.3200 120 0 0 0 124 122 H1 H_ALI 0 0.0000 8.2150 1.1970 -3.4930 120 0 0 0 124 123 H11 H_ALI 0 0.0000 9.4940 0.3430 -2.5960 120 0 0 0 124 124 Q10 PSEUD 0 0.0000 8.9770 1.2067 -2.8030 0 0 0 0 0 125 C3 C_ALI 0 0.0000 8.2570 0.5520 -0.1160 119 126 127 129 0 126 H2 H_ALI 0 0.0000 9.1690 1.1210 0.0650 125 0 0 0 128 127 H3 H_ALI 0 0.0000 7.4920 0.8550 0.5990 125 0 0 0 128 128 Q11 PSEUD 0 0.0000 8.3305 0.9880 0.3320 0 0 0 0 0 129 C8 C_ARO 0 0.0000 8.5420 -0.9190 0.0470 125 130 134 0 0 130 N10 N_AMO 0 0.0000 7.5640 -1.7410 0.3710 129 131 133 0 0 131 C14 C_ARO 0 0.0000 7.7660 -3.0360 0.5190 130 132 138 0 0 132 H7 H_ALI 0 0.0000 6.9380 -3.6790 0.7810 131 0 0 0 141 133 H5 H_AMI 0 0.0000 6.6700 -1.3850 0.4960 130 0 0 0 140 134 C12 C_ARO 0 0.0000 9.8290 -1.3900 -0.1390 129 135 136 0 0 135 H4 H_ALI 0 0.0000 10.6270 -0.7120 -0.4010 134 0 0 0 140 136 C13 C_ARO 0 0.0000 10.0810 -2.7450 0.0130 134 137 138 0 0 137 H6 H_ALI 0 0.0000 11.0750 -3.1410 -0.1270 136 0 0 0 141 138 C15 C_ARO 0 0.0000 9.0250 -3.5790 0.3490 131 136 139 0 0 139 H8 H_ALI 0 0.0000 9.1850 -4.6390 0.4760 138 0 0 0 0 140 Q18 PSEUD 0 0.0000 8.6485 -1.0485 0.0475 0 0 0 0 142 141 Q19 PSEUD 0 0.0000 9.0065 -3.4100 0.3270 0 0 0 0 142 142 QQF PSEUD 0 0.0000 8.8275 -2.2292 0.1873 0 0 0 0 0