REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE"
RESIDUE CS5 22 97 1 97
1 CHI1 0 0 0.0000 1 2 5 6 33
2 CHI2 0 0 0.0000 2 5 6 7 32
3 CHI3 0 0 0.0000 5 6 7 8 19
4 CHI4 0 0 0.0000 6 7 8 9 16
5 CHI5 0 0 0.0000 7 8 9 10 13
6 CHI6 0 0 0.0000 5 6 20 21 32
7 CHI7 0 0 0.0000 6 20 21 22 29
8 CHI8 0 0 0.0000 20 21 22 23 26
9 CHI9 0 0 0.0000 1 35 36 37 40
10 PHI1 0 0 0.0000 3 43 44 46 0
11 PHI2 0 0 0.0000 43 44 46 48 0
12 PHI3 0 0 0.0000 44 46 48 83 0
13 CHI10 0 0 0.0000 46 48 49 50 81
14 CHI11 0 0 0.0000 48 49 50 51 51
15 CHI12 0 0 0.0000 48 49 52 53 80
16 CHI13 0 0 0.0000 49 52 53 54 77
17 CHI14 0 0 0.0000 52 53 54 55 76
18 CHI15 0 0 0.0000 53 54 55 56 71
19 CHI16 0 0 0.0000 60 61 64 65 69
20 CHI17 0 0 0.0000 61 64 65 66 69
21 PHI4 0 0 0.0000 46 48 83 87 0
22 PHI5 0 0 0.0000 48 83 87 94 0
1 C1 C_ARO 0 0.0000 -4.3200 1.8540 -1.2850 2 34 35 0 0
2 C6 C_ARO 0 0.0000 -4.4500 0.8740 -0.2980 1 3 5 0 0
3 C5 C_ARO 0 0.0000 -3.3330 0.1440 0.1050 2 4 43 0 0
4 H5 H_ALI 0 0.0000 -3.4280 -0.6150 0.8670 3 0 0 0 0
5 C7 C_BYL 0 0.0000 -5.7680 0.6130 0.3180 2 6 33 0 0
6 N1 N_AMO 0 0.0000 -6.5420 1.6410 0.7170 5 7 20 0 0
7 C8 C_ALI 0 0.0000 -7.7880 1.3830 1.4430 6 8 17 18 0
8 C9 C_ALI 0 0.0000 -7.5040 1.3470 2.9460 7 9 14 15 0
9 C10 C_ALI 0 0.0000 -8.8060 1.0770 3.7040 8 10 11 12 0
10 H101 H_ALI 0 0.0000 -9.5230 1.8690 3.4880 9 0 0 0 13
11 H102 H_ALI 0 0.0000 -9.2170 0.1180 3.3890 9 0 0 0 13
12 H103 H_ALI 0 0.0000 -8.6040 1.0520 4.7750 9 0 0 0 13
13 Q1 PSEUD 0 0.0000 -9.1147 1.0130 3.8840 0 0 0 0 0
14 H91 H_ALI 0 0.0000 -6.7870 0.5560 3.1620 8 0 0 0 16
15 H92 H_ALI 0 0.0000 -7.0930 2.3060 3.2610 8 0 0 0 16
16 Q2 PSEUD 0 0.0000 -6.9400 1.4310 3.2115 0 0 0 0 0
17 H81 H_ALI 0 0.0000 -8.5050 2.1740 1.2270 7 0 0 0 19
18 H82 H_ALI 0 0.0000 -8.1990 0.4240 1.1280 7 0 0 0 19
19 Q3 PSEUD 0 0.0000 -8.3520 1.2990 1.1775 0 0 0 0 0
20 C11 C_ALI 0 0.0000 -6.1370 3.0190 0.4240 6 21 30 31 0
21 C12 C_ALI 0 0.0000 -6.8730 3.5130 -0.8230 20 22 27 28 0
22 C13 C_ALI 0 0.0000 -6.3520 4.8990 -1.2070 21 23 24 25 0
23 H131 H_ALI 0 0.0000 -6.5250 5.5930 -0.3840 22 0 0 0 26
24 H132 H_ALI 0 0.0000 -5.2840 4.8410 -1.4150 22 0 0 0 26
25 H133 H_ALI 0 0.0000 -6.8770 5.2510 -2.0950 22 0 0 0 26
26 Q4 PSEUD 0 0.0000 -6.2287 5.2283 -1.2980 0 0 0 0 0
27 H121 H_ALI 0 0.0000 -6.7010 2.8190 -1.6450 21 0 0 0 29
28 H122 H_ALI 0 0.0000 -7.9420 3.5710 -0.6150 21 0 0 0 29
29 Q5 PSEUD 0 0.0000 -7.3215 3.1950 -1.1300 0 0 0 0 0
30 H111 H_ALI 0 0.0000 -6.3870 3.6580 1.2710 20 0 0 0 32
31 H112 H_ALI 0 0.0000 -5.0620 3.0520 0.2490 20 0 0 0 32
32 Q6 PSEUD 0 0.0000 -5.7245 3.3550 0.7600 0 0 0 0 0
33 O1 O_BYL 0 0.0000 -6.1540 -0.5310 0.4650 5 0 0 0 0
34 H1 H_ALI 0 0.0000 -5.1840 2.4240 -1.5950 1 0 0 0 0
35 C2 C_ARO 0 0.0000 -3.0900 2.1000 -1.8610 1 36 41 0 0
36 C33 C_ALI 0 0.0000 -2.9580 3.1590 -2.9250 35 37 38 39 0
37 H331 H_ALI 0 0.0000 -2.7280 4.1170 -2.4590 36 0 0 0 40
38 H332 H_ALI 0 0.0000 -2.1550 2.8870 -3.6110 36 0 0 0 40
39 H333 H_ALI 0 0.0000 -3.8950 3.2390 -3.4760 36 0 0 0 40
40 Q7 PSEUD 0 0.0000 -2.9260 3.4143 -3.1820 0 0 0 0 0
41 C3 C_ARO 0 0.0000 -1.9800 1.3810 -1.4660 35 42 43 0 0
42 H3 H_ALI 0 0.0000 -1.0200 1.5780 -1.9210 41 0 0 0 0
43 C4 C_ARO 0 0.0000 -2.0950 0.3980 -0.4800 3 41 44 0 0
44 C14 C_BYL 0 0.0000 -0.9050 -0.3730 -0.0600 43 45 46 0 0
45 O2 O_BYL 0 0.0000 -1.0070 -1.2280 0.7980 44 0 0 0 0
46 N2 N_AMI 0 0.0000 0.2920 -0.1270 -0.6270 44 47 48 0 0
47 HN2 H_AMI 0 0.0000 0.3740 0.5550 -1.3110 46 0 0 0 0
48 C15 C_ALI 0 0.0000 1.4710 -0.8900 -0.2100 46 49 82 83 0
49 C16 C_ALI 0 0.0000 2.7330 -0.0710 -0.4860 48 50 52 81 0
50 O3 O_HYD 0 0.0000 2.8820 0.1150 -1.8950 49 51 0 0 0
51 HO3 H_OXY 0 0.0000 2.9620 -0.7100 -2.3940 50 0 0 0 0
52 C18 C_ALI 0 0.0000 3.9540 -0.8130 0.0620 49 53 78 79 0
53 N3 N_AMO 0 0.0000 5.1490 0.0260 -0.0950 52 54 77 0 0
54 C19 C_ALI 0 0.0000 6.3430 -0.6560 0.4210 53 55 74 75 0
55 C20 C_ARO 0 0.0000 7.5460 0.2330 0.2430 54 56 60 0 0
56 C27 C_ARO 0 0.0000 8.2890 0.1660 -0.9220 55 57 59 0 0
57 C28 C_ARO 0 0.0000 9.3930 0.9800 -1.0880 56 58 62 0 0
58 H28 H_ALI 0 0.0000 9.9710 0.9260 -1.9990 57 0 0 0 72
59 H27 H_ALI 0 0.0000 8.0050 -0.5250 -1.7020 56 0 0 0 71
60 C31 C_ARO 0 0.0000 7.9040 1.1190 1.2410 55 61 70 0 0
61 C30 C_ARO 0 0.0000 9.0150 1.9330 1.0790 60 62 64 0 0
62 C29 C_ARO 0 0.0000 9.7580 1.8640 -0.0900 57 61 63 0 0
63 H29 H_ALI 0 0.0000 10.6220 2.5000 -0.2210 62 0 0 0 0
64 O4 O_EST 0 0.0000 9.3720 2.8010 2.0620 61 65 0 0 0
65 C32 C_ALI 0 0.0000 10.5240 3.6130 1.8230 64 66 67 68 0
66 H321 H_ALI 0 0.0000 11.3930 2.9730 1.6680 65 0 0 0 69
67 H322 H_ALI 0 0.0000 10.3600 4.2250 0.9370 65 0 0 0 69
68 H323 H_ALI 0 0.0000 10.6980 4.2590 2.6840 65 0 0 0 69
69 Q8 PSEUD 0 0.0000 10.8170 3.8190 1.7630 0 0 0 0 0
70 H31 H_ALI 0 0.0000 7.3210 1.1740 2.1480 60 0 0 0 71
71 Q12 PSEUD 0 0.0000 7.6630 0.3245 0.2230 0 0 0 0 73
72 Q13 PSEUD 0 0.0000 9.9710 0.9260 -1.9990 0 0 0 0 73
73 QQA PSEUD 0 0.0000 8.8170 0.6252 -0.8880 0 0 0 0 0
74 H191 H_ALI 0 0.0000 6.2070 -0.8750 1.4800 54 0 0 0 76
75 H192 H_ALI 0 0.0000 6.4950 -1.5870 -0.1250 54 0 0 0 76
76 Q9 PSEUD 0 0.0000 6.3510 -1.2310 0.6775 0 0 0 0 0
77 HN3 H_AMI 0 0.0000 5.2760 0.2970 -1.0590 53 0 0 0 0
78 H181 H_ALI 0 0.0000 3.8010 -1.0330 1.1190 52 0 0 0 80
79 H182 H_ALI 0 0.0000 4.0890 -1.7450 -0.4870 52 0 0 0 80
80 Q10 PSEUD 0 0.0000 3.9450 -1.3890 0.3160 0 0 0 0 0
81 H16 H_ALI 0 0.0000 2.6500 0.9000 0.0010 49 0 0 0 0
82 H15 H_ALI 0 0.0000 1.4050 -1.1080 0.8560 48 0 0 0 0
83 C17 C_ALI 0 0.0000 1.5330 -2.2020 -0.9950 48 84 85 87 0
84 H171 H_ALI 0 0.0000 1.5100 -1.9880 -2.0630 83 0 0 0 86
85 H172 H_ALI 0 0.0000 2.4550 -2.7290 -0.7500 83 0 0 0 86
86 Q11 PSEUD 0 0.0000 1.9825 -2.3585 -1.4065 0 0 0 0 0
87 C21 C_ARO 0 0.0000 0.3510 -3.0630 -0.6290 83 88 94 0 0
88 C22 C_ARO 0 0.0000 0.4440 -3.9510 0.4250 87 89 93 0 0
89 C23 C_ARO 0 0.0000 -0.6420 -4.7420 0.7620 88 90 92 0 0
90 C24 C_ARO 0 0.0000 -1.8200 -4.6430 0.0420 89 91 96 0 0
91 H24 H_ALI 0 0.0000 -2.6670 -5.2600 0.3040 90 0 0 0 0
92 F2 X_XXX 0 0.0000 -0.5500 -5.6120 1.7920 89 0 0 0 0
93 H22 H_ALI 0 0.0000 1.3630 -4.0290 0.9860 88 0 0 0 0
94 C26 C_ARO 0 0.0000 -0.8270 -2.9580 -1.3450 87 95 96 0 0
95 H26 H_ALI 0 0.0000 -0.8990 -2.2600 -2.1660 94 0 0 0 0
96 C25 C_ARO 0 0.0000 -1.9120 -3.7520 -1.0130 90 94 97 0 0
97 F1 X_XXX 0 0.0000 -3.0610 -3.6540 -1.7170 96 0 0 0 0