REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE
RESIDUE NM1 21 99 1 99
1 CHI1 0 0 0.0000 45 1 2 3 44
2 CHI2 0 0 0.0000 1 2 3 4 42
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 42
8 CHI8 0 0 0.0000 3 25 26 27 37
9 CHI9 0 0 0.0000 2 1 45 46 73
10 CHI10 0 0 0.0000 1 45 46 47 53
11 CHI11 0 0 0.0000 45 46 47 48 50
12 CHI12 0 0 0.0000 46 47 48 49 49
13 CHI13 0 0 0.0000 45 46 51 52 52
14 CHI14 0 0 0.0000 1 45 54 55 72
15 CHI15 0 0 0.0000 45 54 55 56 67
16 CHI16 0 0 0.0000 54 55 56 57 67
17 PHI1 0 0 0.0000 2 1 74 78 0
18 PHI2 0 0 0.0000 1 74 78 85 0
19 PHI3 0 0 0.0000 81 87 91 93 0
20 PHI4 0 0 0.0000 87 91 93 95 0
21 PHI5 0 0 0.0000 91 93 95 98 0
1 N01 N_AMI 0 0.0000 -0.5940 -1.1190 -0.8410 2 45 74 0 0
2 S02 S_XXX 0 0.0000 -0.9160 -1.9290 0.5830 1 3 43 44 0
3 N03 N_AMO 0 0.0000 -0.7450 -0.8140 1.8200 2 4 25 0 0
4 C04 C_ALI 0 0.0000 0.3170 0.1640 1.7590 3 5 24 47 0
5 C41 C_ALI 0 0.0000 0.7120 0.5650 3.1820 4 6 21 22 0
6 O16 O_EST 0 0.0000 1.1260 -0.5940 3.9060 5 7 0 0 0
7 C17 C_ARO 0 0.0000 1.4630 -0.1780 5.1550 6 8 12 0 0
8 C18 C_ARO 0 0.0000 1.9090 -1.0950 6.0960 7 9 11 0 0
9 C19 C_ARO 0 0.0000 2.2500 -0.6700 7.3650 8 10 14 0 0
10 H19 H_ALI 0 0.0000 2.5970 -1.3830 8.0980 9 0 0 0 19
11 H18 H_ALI 0 0.0000 1.9890 -2.1400 5.8370 8 0 0 0 18
12 C22 C_ARO 0 0.0000 1.3660 1.1640 5.4900 7 13 17 0 0
13 C21 C_ARO 0 0.0000 1.7030 1.5830 6.7620 12 14 16 0 0
14 C20 C_ARO 0 0.0000 2.1470 0.6670 7.6980 9 13 15 0 0
15 H20 H_ALI 0 0.0000 2.4150 0.9980 8.6910 14 0 0 0 0
16 H21 H_ALI 0 0.0000 1.6230 2.6280 7.0250 13 0 0 0 19
17 H22 H_ALI 0 0.0000 1.0190 1.8790 4.7590 12 0 0 0 18
18 Q12 PSEUD 0 0.0000 1.5040 -0.1305 5.2980 0 0 0 0 20
19 Q13 PSEUD 0 0.0000 2.1100 0.6225 7.5615 0 0 0 0 20
20 QQD PSEUD 0 0.0000 1.8070 0.2460 6.4297 0 0 0 0 0
21 H411 H_ALI 0 0.0000 1.5330 1.2810 3.1430 5 0 0 0 23
22 H412 H_ALI 0 0.0000 -0.1430 1.0190 3.6820 5 0 0 0 23
23 Q1 PSEUD 0 0.0000 0.6950 1.1500 3.4125 0 0 0 0 0
24 H04 H_ALI 0 0.0000 1.1800 -0.2750 1.2590 4 0 0 0 0
25 C23 C_ALI 0 0.0000 -1.6690 -0.8290 2.9570 3 26 40 41 0
26 C24 C_ARO 0 0.0000 -2.7610 0.1840 2.7290 25 27 31 0 0
27 C25 C_ARO 0 0.0000 -3.7690 -0.0770 1.8210 26 28 30 0 0
28 C26 C_ARO 0 0.0000 -4.7710 0.8520 1.6120 27 29 33 0 0
29 H26 H_ALI 0 0.0000 -5.5580 0.6480 0.9020 28 0 0 0 38
30 H25 H_ALI 0 0.0000 -3.7750 -1.0080 1.2730 27 0 0 0 37
31 C29 C_ARO 0 0.0000 -2.7570 1.3740 3.4330 26 32 36 0 0
32 C28 C_ARO 0 0.0000 -3.7560 2.3050 3.2220 31 33 35 0 0
33 C27 C_ARO 0 0.0000 -4.7640 2.0440 2.3120 28 32 34 0 0
34 H27 H_ALI 0 0.0000 -5.5460 2.7710 2.1490 33 0 0 0 0
35 H28 H_ALI 0 0.0000 -3.7510 3.2370 3.7690 32 0 0 0 38
36 H29 H_ALI 0 0.0000 -1.9700 1.5780 4.1440 31 0 0 0 37
37 Q8 PSEUD 0 0.0000 -2.8725 0.2850 2.7085 0 0 0 0 39
38 Q9 PSEUD 0 0.0000 -4.6545 1.9425 2.3355 0 0 0 0 39
39 QQB PSEUD 0 0.0000 -3.7635 1.1137 2.5220 0 0 0 0 0
40 H231 H_ALI 0 0.0000 -2.1100 -1.8210 3.0530 25 0 0 0 42
41 H232 H_ALI 0 0.0000 -1.1280 -0.5810 3.8690 25 0 0 0 42
42 Q2 PSEUD 0 0.0000 -1.6190 -1.2010 3.4610 0 0 0 0 0
43 O15 O_XXX 0 0.0000 -2.2970 -2.2590 0.5470 2 0 0 0 0
44 O40 O_XXX 0 0.0000 0.1490 -2.8550 0.7460 2 0 0 0 0
45 C07 C_ALI 0 0.0000 -1.0730 0.2340 -1.0140 1 46 54 73 0
46 C06 C_ALI 0 0.0000 -0.0650 1.2480 -0.4740 45 47 51 53 0
47 C05 C_ALI 0 0.0000 -0.1230 1.4100 0.9920 4 46 48 50 0
48 O30 O_HYD 0 0.0000 -1.4660 1.7220 1.3660 47 49 0 0 0
49 HO3 H_OXY 0 0.0000 -1.6980 2.5460 0.9140 48 0 0 0 0
50 H05 H_ALI 0 0.0000 0.5200 2.2420 1.2770 47 0 0 0 0
51 O31 O_HYD 0 0.0000 1.2490 0.8220 -0.8340 46 52 0 0 0
52 HO1 H_OXY 0 0.0000 1.8630 1.4800 -0.4800 51 0 0 0 0
53 H06 H_ALI 0 0.0000 -0.2580 2.2140 -0.9400 46 0 0 0 0
54 C32 C_ALI 0 0.0000 -1.3010 0.5000 -2.5030 45 55 70 71 0
55 O33 O_EST 0 0.0000 -2.2700 -0.4200 -3.0080 54 56 0 0 0
56 C34 C_ARO 0 0.0000 -2.4310 -0.1370 -4.3280 55 57 61 0 0
57 C35 C_ARO 0 0.0000 -3.3210 -0.8760 -5.0940 56 58 60 0 0
58 C36 C_ARO 0 0.0000 -3.4820 -0.5870 -6.4350 57 59 63 0 0
59 H36 H_ALI 0 0.0000 -4.1740 -1.1620 -7.0310 58 0 0 0 68
60 H35 H_ALI 0 0.0000 -3.8870 -1.6770 -4.6420 57 0 0 0 67
61 C39 C_ARO 0 0.0000 -1.7080 0.8930 -4.9100 56 62 66 0 0
62 C38 C_ARO 0 0.0000 -1.8680 1.1750 -6.2530 61 63 65 0 0
63 C37 C_ARO 0 0.0000 -2.7560 0.4370 -7.0140 58 62 64 0 0
64 H37 H_ALI 0 0.0000 -2.8830 0.6620 -8.0630 63 0 0 0 0
65 H38 H_ALI 0 0.0000 -1.3020 1.9740 -6.7080 62 0 0 0 68
66 H39 H_ALI 0 0.0000 -1.0140 1.4700 -4.3160 61 0 0 0 67
67 Q10 PSEUD 0 0.0000 -2.4505 -0.1035 -4.4790 0 0 0 0 69
68 Q11 PSEUD 0 0.0000 -2.7380 0.4060 -6.8695 0 0 0 0 69
69 QQC PSEUD 0 0.0000 -2.5942 0.1513 -5.6743 0 0 0 0 0
70 H321 H_ALI 0 0.0000 -1.6620 1.5190 -2.6400 54 0 0 0 72
71 H322 H_ALI 0 0.0000 -0.3630 0.3710 -3.0430 54 0 0 0 72
72 Q3 PSEUD 0 0.0000 -1.0125 0.9450 -2.8415 0 0 0 0 0
73 H07 H_ALI 0 0.0000 -2.0170 0.3500 -0.4810 45 0 0 0 0
74 C08 C_ALI 0 0.0000 0.1610 -1.7770 -1.9100 1 75 76 78 0
75 H081 H_ALI 0 0.0000 -0.2410 -1.4770 -2.8770 74 0 0 0 77
76 H082 H_ALI 0 0.0000 0.0790 -2.8580 -1.8000 74 0 0 0 77
77 Q4 PSEUD 0 0.0000 -0.0810 -2.1675 -2.3385 0 0 0 0 0
78 C09 C_ARO 0 0.0000 1.6100 -1.3720 -1.8230 74 79 85 0 0
79 C14 C_ARO 0 0.0000 2.4090 -1.8810 -0.8150 78 80 84 0 0
80 C13 C_ARO 0 0.0000 3.7410 -1.5140 -0.7280 79 81 83 0 0
81 C12 C_ARO 0 0.0000 4.2800 -0.6380 -1.6470 80 82 87 0 0
82 H12 H_ALI 0 0.0000 5.3190 -0.3530 -1.5780 81 0 0 0 0
83 H13 H_ALI 0 0.0000 4.3600 -1.9150 0.0610 80 0 0 0 89
84 H14 H_ALI 0 0.0000 1.9930 -2.5670 -0.0930 79 0 0 0 88
85 C10 C_ARO 0 0.0000 2.1350 -0.4900 -2.7450 78 86 87 0 0
86 H10 H_ALI 0 0.0000 1.5100 -0.0930 -3.5310 85 0 0 0 88
87 C11 C_ARO 0 0.0000 3.4780 -0.1200 -2.6660 81 85 91 0 0
88 Q6 PSEUD 0 0.0000 1.7515 -1.3300 -1.8120 0 0 0 0 90
89 Q7 PSEUD 0 0.0000 4.3600 -1.9150 0.0610 0 0 0 0 90
90 QQA PSEUD 0 0.0000 3.0558 -1.6225 -0.8755 0 0 0 0 0
91 C51 C_BYL 0 0.0000 4.0490 0.8190 -3.6550 87 92 93 0 0
92 O52 O_BYL 0 0.0000 3.3490 1.2670 -4.5410 91 0 0 0 0
93 N53 N_AMI 0 0.0000 5.3460 1.1780 -3.5720 91 94 95 0 0
94 H53 H_AMI 0 0.0000 5.9040 0.8200 -2.8650 93 0 0 0 0
95 C54 C_ALI 0 0.0000 5.9110 2.1090 -4.5520 93 96 97 98 0
96 H541 H_ALI 0 0.0000 6.9640 2.2790 -4.3260 95 0 0 0 99
97 H542 H_ALI 0 0.0000 5.8180 1.6860 -5.5520 95 0 0 0 99
98 H543 H_ALI 0 0.0000 5.3720 3.0560 -4.5060 95 0 0 0 99
99 Q5 PSEUD 0 0.0000 6.0513 2.3403 -4.7947 0 0 0 0 0