REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL
RESIDUE AHF 24 105 1 105
1 CHI1 0 0 0.0000 54 1 2 3 53
2 CHI2 0 0 0.0000 1 2 3 4 51
3 CHI3 0 0 0.0000 2 3 4 5 24
4 CHI4 0 0 0.0000 3 4 5 6 23
5 CHI5 0 0 0.0000 4 5 6 7 18
6 CHI6 0 0 0.0000 5 6 7 8 18
7 CHI7 0 0 0.0000 2 3 25 26 51
8 CHI8 0 0 0.0000 3 25 26 27 46
9 CHI9 0 0 0.0000 28 33 34 35 43
10 CHI10 0 0 0.0000 33 34 35 36 40
11 CHI11 0 0 0.0000 34 35 36 37 40
12 CHI12 0 0 0.0000 33 34 41 42 42
13 CHI13 0 0 0.0000 2 1 54 55 82
14 CHI14 0 0 0.0000 1 54 55 56 62
15 CHI15 0 0 0.0000 54 55 56 57 59
16 CHI16 0 0 0.0000 55 56 57 58 58
17 CHI17 0 0 0.0000 54 55 60 61 61
18 CHI18 0 0 0.0000 1 54 63 64 81
19 CHI19 0 0 0.0000 54 63 64 65 76
20 CHI20 0 0 0.0000 63 64 65 66 76
21 PHI1 0 0 0.0000 2 1 83 87 0
22 PHI2 0 0 0.0000 1 83 87 92 0
23 PHI3 0 0 0.0000 89 96 100 104 0
24 PHI4 0 0 0.0000 96 100 104 105 0
1 N01 N_AMI 0 0.0000 -0.1070 1.0270 -1.5470 2 54 83 0 0
2 S02 S_XXX 0 0.0000 -0.4270 2.0640 -0.2720 1 3 52 53 0
3 N03 N_AMO 0 0.0000 -0.5870 1.1130 1.0910 2 4 25 0 0
4 C04 C_ALI 0 0.0000 -1.2760 -0.1540 0.9980 3 5 24 56 0
5 C41 C_ALI 0 0.0000 -1.9040 -0.4860 2.3530 4 6 21 22 0
6 O16 O_EST 0 0.0000 -2.8330 0.5390 2.7110 5 7 0 0 0
7 C17 C_ARO 0 0.0000 -3.3550 0.1920 3.9170 6 8 12 0 0
8 C18 C_ARO 0 0.0000 -4.2980 1.0070 4.5260 7 9 11 0 0
9 C19 C_ARO 0 0.0000 -4.8280 0.6520 5.7510 8 10 14 0 0
10 H19 H_ALI 0 0.0000 -5.5620 1.2860 6.2260 9 0 0 0 19
11 H18 H_ALI 0 0.0000 -4.6180 1.9180 4.0430 8 0 0 0 18
12 C22 C_ARO 0 0.0000 -2.9510 -0.9800 4.5380 7 13 17 0 0
13 C21 C_ARO 0 0.0000 -3.4790 -1.3270 5.7660 12 14 16 0 0
14 C20 C_ARO 0 0.0000 -4.4190 -0.5130 6.3710 9 13 15 0 0
15 H20 H_ALI 0 0.0000 -4.8340 -0.7890 7.3290 14 0 0 0 0
16 H21 H_ALI 0 0.0000 -3.1610 -2.2380 6.2530 13 0 0 0 19
17 H22 H_ALI 0 0.0000 -2.2170 -1.6160 4.0660 12 0 0 0 18
18 Q13 PSEUD 0 0.0000 -3.4175 0.1510 4.0545 0 0 0 0 20
19 Q14 PSEUD 0 0.0000 -4.3615 -0.4760 6.2395 0 0 0 0 20
20 QQD PSEUD 0 0.0000 -3.8895 -0.1625 5.1470 0 0 0 0 0
21 H411 H_ALI 0 0.0000 -2.4240 -1.4410 2.2890 5 0 0 0 23
22 H412 H_ALI 0 0.0000 -1.1220 -0.5480 3.1100 5 0 0 0 23
23 Q1 PSEUD 0 0.0000 -1.7730 -0.9945 2.6995 0 0 0 0 0
24 H04 H_ALI 0 0.0000 -2.0630 -0.0790 0.2480 4 0 0 0 0
25 C23 C_ALI 0 0.0000 -0.0400 1.5630 2.3740 3 26 49 50 0
26 C24 C_ARO 0 0.0000 1.3170 0.9440 2.5850 25 27 31 0 0
27 C25 C_ARO 0 0.0000 2.4050 1.4010 1.8660 26 28 30 0 0
28 C26 C_ARO 0 0.0000 3.6500 0.8330 2.0610 27 29 33 0 0
29 H26 H_ALI 0 0.0000 4.5000 1.1900 1.4990 28 0 0 0 47
30 H25 H_ALI 0 0.0000 2.2830 2.2020 1.1520 27 0 0 0 46
31 C29 C_ARO 0 0.0000 1.4730 -0.0810 3.4990 26 32 45 0 0
32 C28 C_ARO 0 0.0000 2.7170 -0.6520 3.6910 31 33 44 0 0
33 C27 C_ARO 0 0.0000 3.8070 -0.1910 2.9750 28 32 34 0 0
34 C42 C_ALI 0 0.0000 5.1640 -0.8110 3.1870 33 35 41 43 0
35 O43 O_EST 0 0.0000 5.0690 -1.8400 4.1740 34 36 0 0 0
36 C45 C_ALI 0 0.0000 6.3810 -2.3850 4.3290 35 37 38 39 0
37 H451 H_ALI 0 0.0000 6.3580 -3.1790 5.0760 36 0 0 0 40
38 H452 H_ALI 0 0.0000 6.7200 -2.7920 3.3770 36 0 0 0 40
39 H453 H_ALI 0 0.0000 7.0640 -1.6010 4.6540 36 0 0 0 40
40 Q2 PSEUD 0 0.0000 6.7140 -2.5240 4.3690 0 0 0 0 0
41 O44 O_HYD 0 0.0000 6.0810 0.1910 3.6320 34 42 0 0 0
42 HO4 H_OXY 0 0.0000 5.7300 0.5420 4.4620 41 0 0 0 0
43 H42 H_ALI 0 0.0000 5.5190 -1.2380 2.2490 34 0 0 0 0
44 H28 H_ALI 0 0.0000 2.8400 -1.4530 4.4040 32 0 0 0 47
45 H29 H_ALI 0 0.0000 0.6230 -0.4390 4.0600 31 0 0 0 46
46 Q9 PSEUD 0 0.0000 1.4530 0.8815 2.6060 0 0 0 0 48
47 Q10 PSEUD 0 0.0000 3.6700 -0.1315 2.9515 0 0 0 0 48
48 QQB PSEUD 0 0.0000 2.5615 0.3750 2.7787 0 0 0 0 0
49 H231 H_ALI 0 0.0000 -0.7070 1.2600 3.1800 25 0 0 0 51
50 H232 H_ALI 0 0.0000 0.0530 2.6490 2.3680 25 0 0 0 51
51 Q3 PSEUD 0 0.0000 -0.3270 1.9545 2.7740 0 0 0 0 0
52 O15 O_XXX 0 0.0000 -1.7150 2.6080 -0.5280 2 0 0 0 0
53 O40 O_XXX 0 0.0000 0.7610 2.8170 -0.0760 2 0 0 0 0
54 C07 C_ALI 0 0.0000 0.7600 -0.1100 -1.3420 1 55 63 82 0
55 C06 C_ALI 0 0.0000 -0.0250 -1.3200 -0.8410 54 56 60 62 0
56 C05 C_ALI 0 0.0000 -0.3150 -1.2750 0.6050 4 55 57 59 0
57 O30 O_HYD 0 0.0000 0.9140 -1.0920 1.3100 56 58 0 0 0
58 HO3 H_OXY 0 0.0000 1.4990 -1.8130 1.0420 57 0 0 0 0
59 H05 H_ALI 0 0.0000 -0.7500 -2.2290 0.9040 56 0 0 0 0
60 O31 O_HYD 0 0.0000 -1.2620 -1.3860 -1.5540 55 61 0 0 0
61 HO1 H_OXY 0 0.0000 -1.7100 -2.1920 -1.2620 60 0 0 0 0
62 H06 H_ALI 0 0.0000 0.5470 -2.2220 -1.0550 55 0 0 0 0
63 C32 C_ALI 0 0.0000 1.4390 -0.4660 -2.6660 54 64 79 80 0
64 O33 O_EST 0 0.0000 2.1770 0.6600 -3.1410 63 65 0 0 0
65 C34 C_ARO 0 0.0000 2.7550 0.2860 -4.3130 64 66 70 0 0
66 C35 C_ARO 0 0.0000 3.5440 1.1850 -5.0170 65 67 69 0 0
67 C36 C_ARO 0 0.0000 4.1300 0.8020 -6.2080 66 68 72 0 0
68 H36 H_ALI 0 0.0000 4.7450 1.5010 -6.7560 67 0 0 0 77
69 H35 H_ALI 0 0.0000 3.7000 2.1820 -4.6340 66 0 0 0 76
70 C39 C_ARO 0 0.0000 2.5610 -0.9950 -4.8050 65 71 75 0 0
71 C38 C_ARO 0 0.0000 3.1450 -1.3710 -6.0000 70 72 74 0 0
72 C37 C_ARO 0 0.0000 3.9310 -0.4740 -6.6990 67 71 73 0 0
73 H37 H_ALI 0 0.0000 4.3900 -0.7710 -7.6300 72 0 0 0 0
74 H38 H_ALI 0 0.0000 2.9900 -2.3680 -6.3860 71 0 0 0 77
75 H39 H_ALI 0 0.0000 1.9470 -1.6960 -4.2590 70 0 0 0 76
76 Q11 PSEUD 0 0.0000 2.8235 0.2430 -4.4465 0 0 0 0 78
77 Q12 PSEUD 0 0.0000 3.8675 -0.4335 -6.5710 0 0 0 0 78
78 QQC PSEUD 0 0.0000 3.3455 -0.0953 -5.5087 0 0 0 0 0
79 H321 H_ALI 0 0.0000 2.1170 -1.3060 -2.5130 63 0 0 0 81
80 H322 H_ALI 0 0.0000 0.6820 -0.7400 -3.4010 63 0 0 0 81
81 Q4 PSEUD 0 0.0000 1.3995 -1.0230 -2.9570 0 0 0 0 0
82 H07 H_ALI 0 0.0000 1.5230 0.1480 -0.6080 54 0 0 0 0
83 C08 C_ALI 0 0.0000 -0.7070 1.2710 -2.8610 1 84 85 87 0
84 H082 H_ALI 0 0.0000 -0.9700 2.3260 -2.9500 83 0 0 0 86
85 H081 H_ALI 0 0.0000 0.0060 1.0070 -3.6410 83 0 0 0 86
86 Q5 PSEUD 0 0.0000 -0.4820 1.6665 -3.2955 0 0 0 0 0
87 C09 C_ARO 0 0.0000 -1.9480 0.4300 -3.0110 83 88 92 0 0
88 C14 C_ARO 0 0.0000 -1.9290 -0.6920 -3.8170 87 89 91 0 0
89 C13 C_ARO 0 0.0000 -3.0670 -1.4660 -3.9510 88 90 96 0 0
90 H13 H_ALI 0 0.0000 -3.0510 -2.3450 -4.5770 89 0 0 0 98
91 H14 H_ALI 0 0.0000 -1.0240 -0.9680 -4.3360 88 0 0 0 97
92 C10 C_ARO 0 0.0000 -3.1080 0.7850 -2.3470 87 93 94 0 0
93 H10 H_ALI 0 0.0000 -3.1240 1.6650 -1.7210 92 0 0 0 97
94 C11 C_ARO 0 0.0000 -4.2470 0.0130 -2.4840 92 95 96 0 0
95 H11 H_ALI 0 0.0000 -5.1520 0.2900 -1.9650 94 0 0 0 98
96 C12 C_ARO 0 0.0000 -4.2260 -1.1120 -3.2860 89 94 100 0 0
97 Q7 PSEUD 0 0.0000 -2.0740 0.3485 -3.0285 0 0 0 0 99
98 Q8 PSEUD 0 0.0000 -4.1015 -1.0275 -3.2710 0 0 0 0 99
99 QQA PSEUD 0 0.0000 -3.0877 -0.3395 -3.1498 0 0 0 0 0
100 C46 C_ALI 0 0.0000 -5.4670 -1.9540 -3.4350 96 101 102 104 0
101 H461 H_ALI 0 0.0000 -5.1840 -2.9910 -3.6130 100 0 0 0 103
102 H462 H_ALI 0 0.0000 -6.0610 -1.8910 -2.5230 100 0 0 0 103
103 Q6 PSEUD 0 0.0000 -5.6225 -2.4410 -3.0680 0 0 0 0 0
104 O47 O_HYD 0 0.0000 -6.2380 -1.4740 -4.5390 100 105 0 0 0
105 HO7 H_OXY 0 0.0000 -7.0210 -2.0390 -4.5990 104 0 0 0 0