REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE" RESIDUE DOE 32 102 1 102 1 CHI1 0 0 0.0000 32 1 2 3 31 2 CHI2 0 0 0.0000 1 2 3 4 28 3 CHI3 0 0 0.0000 2 3 4 5 20 4 CHI4 0 0 0.0000 3 4 5 6 17 5 CHI5 0 0 0.0000 4 5 6 7 14 6 CHI6 0 0 0.0000 5 6 7 8 14 7 CHI7 0 0 0.0000 6 7 8 9 11 8 CHI8 0 0 0.0000 7 8 10 11 11 9 CHI9 0 0 0.0000 2 3 21 22 28 10 CHI10 0 0 0.0000 3 21 22 23 25 11 CHI11 0 0 0.0000 21 22 24 25 25 12 CHI12 0 0 0.0000 2 1 32 33 65 13 CHI13 0 0 0.0000 1 32 33 34 57 14 CHI14 0 0 0.0000 32 33 34 35 54 15 CHI15 0 0 0.0000 33 34 35 36 51 16 CHI16 0 0 0.0000 34 35 36 37 43 17 CHI17 0 0 0.0000 35 36 37 38 40 18 CHI18 0 0 0.0000 34 35 44 45 51 19 CHI19 0 0 0.0000 35 44 45 46 48 20 CHI20 0 0 0.0000 44 45 47 48 48 21 CHI21 0 0 0.0000 1 32 58 59 65 22 CHI22 0 0 0.0000 32 58 59 60 62 23 CHI23 0 0 0.0000 58 59 61 62 62 24 PHI1 0 0 0.0000 2 1 67 71 0 25 PHI2 0 0 0.0000 1 67 71 76 0 26 PHI3 0 0 0.0000 73 80 84 86 0 27 PHI4 0 0 0.0000 80 84 86 88 0 28 PHI5 0 0 0.0000 84 86 88 92 0 29 PHI6 0 0 0.0000 86 88 92 93 0 30 CHI24 0 0 0.0000 88 92 93 94 102 31 CHI25 0 0 0.0000 92 93 94 95 99 32 CHI26 0 0 0.0000 93 94 95 96 96 1 C1 C_ALI 0 0.0000 -1.0750 2.6220 5.2540 2 32 66 67 0 2 C2 C_ALI 0 0.0000 -0.1630 3.2920 4.1950 1 3 29 30 0 3 N2 N_AMO 0 0.0000 -0.9610 4.0220 3.1800 2 4 21 0 0 4 C3 C_ALI 0 0.0000 -0.9670 3.3020 1.8820 3 5 18 19 0 5 C4 C_ALI 0 0.0000 -1.8700 2.0480 1.8790 4 6 15 16 0 6 N3 N_AMO 0 0.0000 -1.6330 1.0610 0.8090 5 7 37 0 0 7 C13 C_ALI 0 0.0000 -1.6970 1.6760 -0.5170 6 8 12 13 0 8 C14 C_BYL 0 0.0000 -1.6460 0.5930 -1.5500 7 9 10 0 0 9 O5 O_BYL 0 0.0000 -2.0780 -0.5440 -1.4330 8 0 0 0 0 10 O6 O_HYD 0 0.0000 -1.0380 1.0540 -2.6740 8 11 0 0 0 11 HO4 H_OXY 0 0.0000 -0.9890 0.3660 -3.3720 10 0 0 0 0 12 H131 H_ALI 0 0.0000 -0.8400 2.3430 -0.6400 7 0 0 0 14 13 H132 H_ALI 0 0.0000 -2.6330 2.2330 -0.6070 7 0 0 0 14 14 Q1 PSEUD 0 0.0000 -1.7365 2.2880 -0.6235 0 0 0 0 0 15 HC41 H_ALI 0 0.0000 -1.8270 1.5290 2.8330 5 0 0 0 17 16 HC42 H_ALI 0 0.0000 -2.9130 2.3850 1.8040 5 0 0 0 17 17 Q2 PSEUD 0 0.0000 -2.3700 1.9570 2.3185 0 0 0 0 0 18 HC31 H_ALI 0 0.0000 0.0620 3.0640 1.5850 4 0 0 0 20 19 HC32 H_ALI 0 0.0000 -1.3550 3.9780 1.1080 4 0 0 0 20 20 Q3 PSEUD 0 0.0000 -0.6465 3.5210 1.3465 0 0 0 0 0 21 C11 C_ALI 0 0.0000 -0.4100 5.3670 2.9840 3 22 26 27 0 22 C12 C_BYL 0 0.0000 -1.2690 6.0970 1.9970 21 23 24 0 0 23 O3 O_BYL 0 0.0000 -2.4700 5.9480 1.8290 22 0 0 0 0 24 O4 O_HYD 0 0.0000 -0.5140 6.9780 1.2900 22 25 0 0 0 25 HO1 H_OXY 0 0.0000 -1.0500 7.4730 0.6340 24 0 0 0 0 26 H111 H_ALI 0 0.0000 0.6070 5.2810 2.5930 21 0 0 0 28 27 H112 H_ALI 0 0.0000 -0.4110 5.8960 3.9410 21 0 0 0 28 28 Q4 PSEUD 0 0.0000 0.0980 5.5885 3.2670 0 0 0 0 0 29 HC21 H_ALI 0 0.0000 0.5090 3.9850 4.7220 2 0 0 0 31 30 HC22 H_ALI 0 0.0000 0.5100 2.5800 3.7120 2 0 0 0 31 31 Q5 PSEUD 0 0.0000 0.5095 3.2825 4.2170 0 0 0 0 0 32 N1 N_AMO 0 0.0000 -0.5220 1.4350 5.9400 1 33 58 0 0 33 C8 C_ALI 0 0.0000 -0.9320 0.1580 5.3350 32 34 55 56 0 34 C7 C_ALI 0 0.0000 -0.1980 -0.2810 4.0500 33 35 52 53 0 35 N4 N_AMO 0 0.0000 -1.1110 -0.9700 3.1190 34 36 44 0 0 36 C6 C_ALI 0 0.0000 -0.5780 -1.0450 1.7490 35 37 41 42 0 37 C5 C_ALI 0 0.0000 -0.3890 0.2900 0.9860 6 36 38 39 0 38 HC51 H_ALI 0 0.0000 0.4130 0.8900 1.4280 37 0 0 0 40 39 HC52 H_ALI 0 0.0000 -0.0100 0.0020 -0.0050 37 0 0 0 40 40 Q6 PSEUD 0 0.0000 0.2015 0.4460 0.7115 0 0 0 0 0 41 HC61 H_ALI 0 0.0000 -1.2650 -1.6580 1.1490 36 0 0 0 43 42 HC62 H_ALI 0 0.0000 0.3820 -1.5780 1.7540 36 0 0 0 43 43 Q7 PSEUD 0 0.0000 -0.4415 -1.6180 1.4515 0 0 0 0 0 44 C15 C_ALI 0 0.0000 -1.4360 -2.3150 3.6060 35 45 49 50 0 45 C16 C_BYL 0 0.0000 -2.4650 -2.9160 2.6980 44 46 47 0 0 46 O7 O_BYL 0 0.0000 -3.3080 -2.3100 2.0530 45 0 0 0 0 47 O8 O_HYD 0 0.0000 -2.3360 -4.2680 2.6840 45 48 0 0 0 48 HO3 H_OXY 0 0.0000 -2.9980 -4.6920 2.0960 47 0 0 0 0 49 H151 H_ALI 0 0.0000 -1.8400 -2.2380 4.6190 44 0 0 0 51 50 H152 H_ALI 0 0.0000 -0.5310 -2.9270 3.5980 44 0 0 0 51 51 Q8 PSEUD 0 0.0000 -1.1855 -2.5825 4.1085 0 0 0 0 0 52 HC71 H_ALI 0 0.0000 0.2200 0.5940 3.5590 34 0 0 0 54 53 HC72 H_ALI 0 0.0000 0.6610 -0.9150 4.3030 34 0 0 0 54 54 Q9 PSEUD 0 0.0000 0.4405 -0.1605 3.9310 0 0 0 0 0 55 HC81 H_ALI 0 0.0000 -2.0170 0.1890 5.1660 33 0 0 0 57 56 HC82 H_ALI 0 0.0000 -0.8010 -0.6330 6.0870 33 0 0 0 57 57 Q10 PSEUD 0 0.0000 -1.4090 -0.2220 5.6265 0 0 0 0 0 58 C9 C_ALI 0 0.0000 0.8900 1.4930 6.2880 32 59 63 64 0 59 C10 C_BYL 0 0.0000 1.1850 0.4050 7.2750 58 60 61 0 0 60 O1 O_BYL 0 0.0000 0.4040 -0.0710 8.0850 59 0 0 0 0 61 O2 O_HYD 0 0.0000 2.4760 0.0030 7.1480 59 62 0 0 0 62 HO2 H_OXY 0 0.0000 2.7000 -0.7110 7.7820 61 0 0 0 0 63 HC91 H_ALI 0 0.0000 1.1050 2.4660 6.7380 58 0 0 0 65 64 HC92 H_ALI 0 0.0000 1.4870 1.3470 5.3840 58 0 0 0 65 65 Q11 PSEUD 0 0.0000 1.2960 1.9065 6.0610 0 0 0 0 0 66 HC1 H_ALI 0 0.0000 -2.0250 2.3370 4.7890 1 0 0 0 0 67 C17 C_ALI 0 0.0000 -1.4860 3.6520 6.3210 1 68 69 71 0 68 H171 H_ALI 0 0.0000 -1.6090 4.6260 5.8450 67 0 0 0 70 69 H172 H_ALI 0 0.0000 -0.6740 3.7560 7.0440 67 0 0 0 70 70 Q12 PSEUD 0 0.0000 -1.1415 4.1910 6.4445 0 0 0 0 0 71 C18 C_ARO 0 0.0000 -2.7530 3.2430 7.0130 67 72 76 0 0 72 C23 C_ARO 0 0.0000 -2.6890 2.4550 8.1570 71 73 75 0 0 73 C22 C_ARO 0 0.0000 -3.8670 2.0750 8.8000 72 74 80 0 0 74 H22 H_ALI 0 0.0000 -3.8120 1.4590 9.6940 73 0 0 0 82 75 H23 H_ALI 0 0.0000 -1.7320 2.1310 8.5580 72 0 0 0 81 76 C19 C_ARO 0 0.0000 -3.9790 3.6540 6.5030 71 77 78 0 0 77 H19 H_ALI 0 0.0000 -4.0320 4.2700 5.6090 76 0 0 0 81 78 C20 C_ARO 0 0.0000 -5.1570 3.2740 7.1460 76 79 80 0 0 79 H20 H_ALI 0 0.0000 -6.1130 3.5990 6.7430 78 0 0 0 82 80 C21 C_ARO 0 0.0000 -5.1010 2.4840 8.2940 73 78 84 0 0 81 Q16 PSEUD 0 0.0000 -2.8820 3.2005 7.0835 0 0 0 0 83 82 Q17 PSEUD 0 0.0000 -4.9625 2.5290 8.2185 0 0 0 0 83 83 QQA PSEUD 0 0.0000 -3.9223 2.8647 7.6510 0 0 0 0 0 84 N5 N_AMI 0 0.0000 -6.2800 2.1030 8.9360 80 85 86 0 0 85 HN5 H_AMI 0 0.0000 -7.1510 2.4380 8.5110 84 0 0 0 0 86 C24 C_BYL 0 0.0000 -6.4230 1.3190 10.0900 84 87 88 0 0 87 O9 O_BYL 0 0.0000 -5.5210 0.8040 10.7470 86 0 0 0 0 88 C25 C_ALI 0 0.0000 -7.8700 1.1210 10.4860 86 89 90 92 0 89 H251 H_ALI 0 0.0000 -7.9270 1.0080 11.5720 88 0 0 0 91 90 H252 H_ALI 0 0.0000 -8.4900 1.9770 10.2020 88 0 0 0 91 91 Q13 PSEUD 0 0.0000 -8.2085 1.4925 10.8870 0 0 0 0 0 92 S1 S_RED 0 0.0000 -8.4970 -0.3720 9.6790 88 93 0 0 0 93 C26 C_ALI 0 0.0000 -10.1860 -0.3380 10.3240 92 94 100 101 0 94 C27 C_ALI 0 0.0000 -11.0110 -1.4930 9.7800 93 95 97 98 0 95 O10 O_HYD 0 0.0000 -10.4170 -2.7320 10.1450 94 96 0 0 0 96 H10 H_OXY 0 0.0000 -9.5380 -2.7530 9.7350 95 0 0 0 0 97 H271 H_ALI 0 0.0000 -11.1130 -1.4490 8.6900 94 0 0 0 99 98 H272 H_ALI 0 0.0000 -12.0140 -1.4630 10.2190 94 0 0 0 99 99 Q14 PSEUD 0 0.0000 -11.5635 -1.4560 9.4545 0 0 0 0 0 100 H261 H_ALI 0 0.0000 -10.1260 -0.3880 11.4150 93 0 0 0 102 101 H262 H_ALI 0 0.0000 -10.6390 0.6160 10.0400 93 0 0 0 102 102 Q15 PSEUD 0 0.0000 -10.3825 0.1140 10.7275 0 0 0 0 0