REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid" RESIDUE ITL 50 148 1 148 1 CHI1 0 0 0.0000 47 1 2 3 46 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 1 2 7 8 45 4 CHI4 0 0 0.0000 2 7 8 9 32 5 CHI5 0 0 0.0000 7 8 9 10 27 6 CHI6 0 0 0.0000 8 9 10 11 21 7 CHI7 0 0 0.0000 9 10 11 12 18 8 CHI8 0 0 0.0000 10 11 12 13 15 9 CHI9 0 0 0.0000 11 12 13 14 14 10 CHI10 0 0 0.0000 8 9 22 23 26 11 CHI11 0 0 0.0000 7 8 28 29 31 12 CHI12 0 0 0.0000 2 7 33 34 37 13 CHI13 0 0 0.0000 2 7 38 39 45 14 CHI14 0 0 0.0000 7 38 39 40 42 15 CHI15 0 0 0.0000 2 1 47 48 54 16 CHI16 0 0 0.0000 1 47 48 49 51 17 PHI1 0 0 0.0000 2 1 56 58 0 18 PHI2 0 0 0.0000 1 56 58 72 0 19 CHI17 0 0 0.0000 56 58 59 60 63 20 CHI18 0 0 0.0000 56 58 64 65 71 21 CHI19 0 0 0.0000 58 64 65 66 68 22 PHI3 0 0 0.0000 56 58 72 74 0 23 PHI4 0 0 0.0000 58 72 74 78 0 24 PHI5 0 0 0.0000 72 74 78 80 0 25 PHI6 0 0 0.0000 74 78 80 82 0 26 PHI7 0 0 0.0000 78 80 82 84 0 27 PHI8 0 0 0.0000 80 82 84 88 0 28 PHI9 0 0 0.0000 82 84 88 92 0 29 PHI10 0 0 0.0000 84 88 92 98 0 30 CHI20 0 0 0.0000 88 92 93 94 96 31 CHI21 0 0 0.0000 92 93 95 96 96 32 PHI11 0 0 0.0000 88 92 98 124 0 33 CHI22 0 0 0.0000 92 98 99 100 123 34 CHI23 0 0 0.0000 98 99 100 101 120 35 CHI24 0 0 0.0000 99 100 101 102 117 36 CHI25 0 0 0.0000 100 101 102 103 109 37 CHI26 0 0 0.0000 101 102 103 104 106 38 CHI27 0 0 0.0000 102 103 105 106 106 39 CHI28 0 0 0.0000 100 101 110 111 117 40 CHI29 0 0 0.0000 101 110 111 112 114 41 CHI30 0 0 0.0000 110 111 112 113 113 42 PHI12 0 0 0.0000 92 98 124 128 0 43 PHI13 0 0 0.0000 98 124 128 132 0 44 PHI14 0 0 0.0000 124 128 132 141 0 45 CHI31 0 0 0.0000 128 132 133 134 140 46 CHI32 0 0 0.0000 132 133 134 135 137 47 CHI33 0 0 0.0000 133 134 136 137 137 48 PHI15 0 0 0.0000 128 132 141 145 0 49 PHI16 0 0 0.0000 132 141 145 148 0 50 CHI34 0 0 0.0000 141 145 146 147 147 1 C8 C_ALI 0 0.0000 -5.6160 -0.3700 -1.2340 2 47 55 56 0 2 C14 C_ALI 0 0.0000 -6.9080 -1.0170 -0.7720 1 3 7 46 0 3 C15 C_ALI 0 0.0000 -7.8820 -1.4310 -1.8800 2 4 5 28 0 4 H15 H_ALI 0 0.0000 -7.6230 -2.4140 -2.2740 3 0 0 0 6 5 H15A H_ALI 0 0.0000 -7.9000 -0.6900 -2.6780 3 0 0 0 6 6 Q1 PSEUD 0 0.0000 -7.7615 -1.5520 -2.4760 0 0 0 0 0 7 C13 C_ALI 0 0.0000 -7.7230 0.0750 -0.0290 2 8 33 38 0 8 C17 C_ALI 0 0.0000 -9.1130 -0.5420 0.0860 7 9 28 32 0 9 C20 C_ALI 0 0.0000 -10.1840 0.5500 0.0400 8 10 22 27 0 10 C22 C_ALI 0 0.0000 -11.5710 -0.0950 0.0250 9 11 19 20 0 11 C23 C_ALI 0 0.0000 -12.6360 0.9890 -0.1460 10 12 16 17 0 12 C24 C_BYL 0 0.0000 -14.0020 0.3530 -0.1610 11 13 15 0 0 13 O1 O_HYD 0 0.0000 -15.0970 1.1170 -0.3010 12 14 0 0 0 14 HO1 H_OXY 0 0.0000 -15.9510 0.6640 -0.3050 13 0 0 0 0 15 O2 O_BYL 0 0.0000 -14.1120 -0.8450 -0.0460 12 0 0 0 0 16 H23 H_ALI 0 0.0000 -12.4710 1.5160 -1.0860 11 0 0 0 18 17 H23A H_ALI 0 0.0000 -12.5730 1.6950 0.6830 11 0 0 0 18 18 Q2 PSEUD 0 0.0000 -12.5220 1.6055 -0.2015 0 0 0 0 0 19 H22 H_ALI 0 0.0000 -11.7360 -0.6230 0.9650 10 0 0 0 21 20 H22A H_ALI 0 0.0000 -11.6340 -0.8010 -0.8030 10 0 0 0 21 21 Q3 PSEUD 0 0.0000 -11.6850 -0.7120 0.0810 0 0 0 0 0 22 C21 C_ALI 0 0.0000 -10.0510 1.4460 1.2730 9 23 24 25 0 23 H21 H_ALI 0 0.0000 -10.8540 2.1830 1.2750 22 0 0 0 26 24 H21A H_ALI 0 0.0000 -10.1170 0.8360 2.1740 22 0 0 0 26 25 H21B H_ALI 0 0.0000 -9.0890 1.9570 1.2500 22 0 0 0 26 26 Q4 PSEUD 0 0.0000 -10.0200 1.6587 1.5663 0 0 0 0 0 27 H20 H_ALI 0 0.0000 -10.0520 1.1500 -0.8600 9 0 0 0 0 28 C16 C_ALI 0 0.0000 -9.2480 -1.4770 -1.1420 3 8 29 30 0 29 H16 H_ALI 0 0.0000 -9.4630 -2.4950 -0.8150 28 0 0 0 31 30 H16A H_ALI 0 0.0000 -10.0410 -1.1200 -1.7990 28 0 0 0 31 31 Q5 PSEUD 0 0.0000 -9.7520 -1.8075 -1.3070 0 0 0 0 0 32 H17 H_ALI 0 0.0000 -9.1970 -1.1140 1.0100 8 0 0 0 0 33 C18 C_ALI 0 0.0000 -7.7890 1.3420 -0.8840 7 34 35 36 0 34 H18 H_ALI 0 0.0000 -8.3790 2.0990 -0.3670 33 0 0 0 37 35 H18A H_ALI 0 0.0000 -6.7800 1.7200 -1.0510 33 0 0 0 37 36 H18B H_ALI 0 0.0000 -8.2540 1.1110 -1.8420 33 0 0 0 37 37 Q6 PSEUD 0 0.0000 -7.8043 1.6433 -1.0867 0 0 0 0 0 38 C12 C_ALI 0 0.0000 -7.0040 0.3730 1.2720 7 39 43 44 0 39 C11 C_ALI 0 0.0000 -5.6350 0.9740 0.9110 38 40 41 56 0 40 H11 H_ALI 0 0.0000 -5.7870 1.9160 0.3850 39 0 0 0 42 41 H11A H_ALI 0 0.0000 -5.0770 1.1650 1.8280 39 0 0 0 42 42 Q7 PSEUD 0 0.0000 -5.4320 1.5405 1.1065 0 0 0 0 0 43 H12 H_ALI 0 0.0000 -7.5800 1.0880 1.8590 38 0 0 0 45 44 H12A H_ALI 0 0.0000 -6.8670 -0.5480 1.8390 38 0 0 0 45 45 Q8 PSEUD 0 0.0000 -7.2235 0.2700 1.8490 0 0 0 0 0 46 H14 H_ALI 0 0.0000 -6.6950 -1.8630 -0.1180 2 0 0 0 0 47 C7 C_ALI 0 0.0000 -4.7860 -1.3620 -2.0490 1 48 52 53 0 48 C6 C_ALI 0 0.0000 -3.4770 -0.6970 -2.4830 47 49 50 72 0 49 H6 H_ALI 0 0.0000 -3.7020 0.1690 -3.1040 48 0 0 0 51 50 H6A H_ALI 0 0.0000 -2.8840 -1.4100 -3.0550 48 0 0 0 51 51 Q9 PSEUD 0 0.0000 -3.2930 -0.6205 -3.0795 0 0 0 0 0 52 H7 H_ALI 0 0.0000 -4.5640 -2.2370 -1.4390 47 0 0 0 54 53 H7A H_ALI 0 0.0000 -5.3470 -1.6670 -2.9320 47 0 0 0 54 54 Q10 PSEUD 0 0.0000 -4.9555 -1.9520 -2.1855 0 0 0 0 0 55 H8 H_ALI 0 0.0000 -5.8410 0.5080 -1.8410 1 0 0 0 0 56 C9 C_ALI 0 0.0000 -4.8200 0.0500 0.0110 1 39 57 58 0 57 H9 H_ALI 0 0.0000 -4.5750 -0.8560 0.5650 56 0 0 0 0 58 C10 C_ALI 0 0.0000 -3.5120 0.7320 -0.3920 56 59 64 72 0 59 C19 C_ALI 0 0.0000 -3.8200 1.9790 -1.2220 58 60 61 62 0 60 H19 H_ALI 0 0.0000 -4.4220 2.6700 -0.6310 59 0 0 0 63 61 H19A H_ALI 0 0.0000 -2.8870 2.4640 -1.5090 59 0 0 0 63 62 H19B H_ALI 0 0.0000 -4.3710 1.6930 -2.1180 59 0 0 0 63 63 Q11 PSEUD 0 0.0000 -3.8933 2.2757 -1.4193 0 0 0 0 0 64 C1 C_ALI 0 0.0000 -2.7360 1.1280 0.8660 58 65 69 70 0 65 C2 C_ALI 0 0.0000 -2.4400 -0.1220 1.6960 64 66 67 78 0 66 H2 H_ALI 0 0.0000 -1.8920 0.1530 2.5970 65 0 0 0 68 67 H2A H_ALI 0 0.0000 -3.3810 -0.5970 1.9730 65 0 0 0 68 68 Q12 PSEUD 0 0.0000 -2.6365 -0.2220 2.2850 0 0 0 0 0 69 H1 H_ALI 0 0.0000 -3.3320 1.8240 1.4560 64 0 0 0 71 70 H1A H_ALI 0 0.0000 -1.7980 1.6050 0.5790 64 0 0 0 71 71 Q13 PSEUD 0 0.0000 -2.5650 1.7145 1.0175 0 0 0 0 0 72 C5 C_ALI 0 0.0000 -2.6700 -0.2400 -1.2230 48 58 73 74 0 73 H5 H_ALI 0 0.0000 -1.7390 0.2300 -1.5380 72 0 0 0 0 74 C4 C_ALI 0 0.0000 -2.3570 -1.4580 -0.3500 72 75 76 78 0 75 H4 H_ALI 0 0.0000 -3.2890 -1.9280 -0.0360 74 0 0 0 77 76 H4A H_ALI 0 0.0000 -1.7640 -2.1720 -0.9210 74 0 0 0 77 77 Q14 PSEUD 0 0.0000 -2.5265 -2.0500 -0.4785 0 0 0 0 0 78 C3 C_ALI 0 0.0000 -1.6020 -1.0980 0.8670 65 74 79 80 0 79 H3 H_ALI 0 0.0000 -1.4000 -1.9930 1.4550 78 0 0 0 0 80 N4 N_AMI 0 0.0000 -0.3360 -0.4610 0.4970 78 81 82 0 0 81 HN4 H_AMI 0 0.0000 -0.2490 -0.0190 -0.3620 80 0 0 0 0 82 C41 C_BYL 0 0.0000 0.7080 -0.4910 1.3490 80 83 84 0 0 83 O O_BYL 0 0.0000 0.5990 -1.0440 2.4230 82 0 0 0 0 84 C40 C_ALI 0 0.0000 2.0100 0.1640 0.9680 82 85 86 88 0 85 H40 H_ALI 0 0.0000 2.3980 -0.2990 0.0610 84 0 0 0 87 86 H40A H_ALI 0 0.0000 1.8450 1.2270 0.7910 84 0 0 0 87 87 Q15 PSEUD 0 0.0000 2.1215 0.4640 0.4260 0 0 0 0 0 88 C39 C_ALI 0 0.0000 3.0210 -0.0120 2.1030 84 89 90 92 0 89 H39 H_ALI 0 0.0000 2.5980 0.3750 3.0300 88 0 0 0 91 90 H39A H_ALI 0 0.0000 3.2520 -1.0710 2.2230 88 0 0 0 91 91 Q16 PSEUD 0 0.0000 2.9250 -0.3480 2.6265 0 0 0 0 0 92 C35 C_ALI 0 0.0000 4.3020 0.7550 1.7680 88 93 97 98 0 93 C36 C_BYL 0 0.0000 5.2580 0.6680 2.9310 92 94 95 0 0 94 O9 O_BYL 0 0.0000 6.3160 0.0990 2.8020 93 0 0 0 0 95 O8 O_HYD 0 0.0000 4.9330 1.2220 4.1090 93 96 0 0 0 96 HO8 H_OXY 0 0.0000 5.5780 1.1400 4.8250 95 0 0 0 0 97 H35 H_ALI 0 0.0000 4.0610 1.7990 1.5740 92 0 0 0 0 98 N2 N_AMI 0 0.0000 4.9270 0.1670 0.5760 92 99 124 0 0 99 C29 C_ALI 0 0.0000 6.0820 0.9640 0.1400 98 100 121 122 0 100 C30 C_ALI 0 0.0000 5.5930 2.2860 -0.4570 99 101 118 119 0 101 N3 N_AMO 0 0.0000 6.7490 3.1210 -0.8070 100 102 110 0 0 102 C37 C_ALI 0 0.0000 7.4420 2.5920 -1.9900 101 103 107 108 0 103 C38 C_BYL 0 0.0000 8.8520 3.1240 -2.0260 102 104 105 0 0 104 O11 O_BYL 0 0.0000 9.2400 3.8670 -1.1550 103 0 0 0 0 105 O10 O_HYD 0 0.0000 9.6770 2.7720 -3.0240 103 106 0 0 0 106 HO10 H_OXY 0 0.0000 10.5710 3.1390 -3.0050 105 0 0 0 0 107 H37 H_ALI 0 0.0000 7.4660 1.5040 -1.9400 102 0 0 0 109 108 H37A H_ALI 0 0.0000 6.9130 2.9040 -2.8900 102 0 0 0 109 109 Q17 PSEUD 0 0.0000 7.1895 2.2040 -2.4150 0 0 0 0 0 110 C31 C_ALI 0 0.0000 6.3450 4.5180 -1.0150 101 111 115 116 0 111 C32 C_BYL 0 0.0000 5.8630 5.1010 0.2880 110 112 114 0 0 112 O13 O_HYD 0 0.0000 5.4410 6.3740 0.3390 111 113 0 0 0 113 HO13 H_OXY 0 0.0000 5.1410 6.7040 1.1970 112 0 0 0 0 114 O4 O_BYL 0 0.0000 5.8570 4.4230 1.2880 111 0 0 0 0 115 H31 H_ALI 0 0.0000 7.1970 5.0930 -1.3770 110 0 0 0 117 116 H31A H_ALI 0 0.0000 5.5410 4.5580 -1.7500 110 0 0 0 117 117 Q18 PSEUD 0 0.0000 6.3690 4.8255 -1.5635 0 0 0 0 0 118 H30 H_ALI 0 0.0000 4.9760 2.8080 0.2740 100 0 0 0 120 119 H30A H_ALI 0 0.0000 5.0050 2.0850 -1.3520 100 0 0 0 120 120 Q19 PSEUD 0 0.0000 4.9905 2.4465 -0.5390 0 0 0 0 0 121 H29 H_ALI 0 0.0000 6.7270 1.1680 0.9950 99 0 0 0 123 122 H29A H_ALI 0 0.0000 6.6420 0.4100 -0.6140 99 0 0 0 123 123 Q20 PSEUD 0 0.0000 6.6845 0.7890 0.1905 0 0 0 0 0 124 C28 C_ALI 0 0.0000 5.3130 -1.2300 0.8170 98 125 126 128 0 125 H28 H_ALI 0 0.0000 6.2170 -1.2570 1.4260 124 0 0 0 127 126 H28A H_ALI 0 0.0000 4.5070 -1.7440 1.3410 124 0 0 0 127 127 Q21 PSEUD 0 0.0000 5.3620 -1.5005 1.3835 0 0 0 0 0 128 C27 C_ALI 0 0.0000 5.5770 -1.9240 -0.5200 124 129 130 132 0 129 H27 H_ALI 0 0.0000 6.3220 -1.3610 -1.0810 128 0 0 0 131 130 H27A H_ALI 0 0.0000 4.6510 -1.9740 -1.0930 128 0 0 0 131 131 Q22 PSEUD 0 0.0000 5.4865 -1.6675 -1.0870 0 0 0 0 0 132 N1 N_AMI 0 0.0000 6.0740 -3.2850 -0.2750 128 133 141 0 0 133 C33 C_ALI 0 0.0000 5.0000 -4.1570 0.2180 132 134 138 139 0 134 C34 C_BYL 0 0.0000 5.5890 -5.4630 0.6880 133 135 136 0 0 135 O6 O_BYL 0 0.0000 6.7810 -5.6470 0.6200 134 0 0 0 0 136 O7 O_HYD 0 0.0000 4.7890 -6.4200 1.1830 134 137 0 0 0 137 HO7 H_OXY 0 0.0000 5.2120 -7.2400 1.4720 136 0 0 0 0 138 H33 H_ALI 0 0.0000 4.4880 -3.6700 1.0480 133 0 0 0 140 139 H33A H_ALI 0 0.0000 4.2890 -4.3480 -0.5860 133 0 0 0 140 140 Q23 PSEUD 0 0.0000 4.3885 -4.0090 0.2310 0 0 0 0 0 141 C26 C_ALI 0 0.0000 6.6940 -3.8450 -1.4840 132 142 143 145 0 142 H26 H_ALI 0 0.0000 6.8350 -4.9180 -1.3560 141 0 0 0 144 143 H26A H_ALI 0 0.0000 6.0460 -3.6630 -2.3410 141 0 0 0 144 144 Q24 PSEUD 0 0.0000 6.4405 -4.2905 -1.8485 0 0 0 0 0 145 C25 C_BYL 0 0.0000 8.0290 -3.1860 -1.7150 141 146 148 0 0 146 O12 O_HYD 0 0.0000 8.7260 -3.4530 -2.8310 145 147 0 0 0 147 HO12 H_OXY 0 0.0000 9.5770 -3.0070 -2.9340 146 0 0 0 0 148 O3 O_BYL 0 0.0000 8.4740 -2.4170 -0.8950 145 0 0 0 0