REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL
RESIDUE HYB 21 96 1 96
1 CHI1 0 0 0.0000 2 1 4 5 79
2 CHI2 0 0 0.0000 1 4 5 6 76
3 CHI3 0 0 0.0000 4 5 6 7 54
4 CHI4 0 0 0.0000 5 6 7 8 53
5 CHI5 0 0 0.0000 6 7 8 9 52
6 CHI6 0 0 0.0000 7 8 9 10 38
7 CHI7 0 0 0.0000 8 9 10 11 37
8 CHI8 0 0 0.0000 9 10 11 12 36
9 CHI9 0 0 0.0000 10 11 12 13 17
10 CHI10 0 0 0.0000 11 12 13 14 14
11 CHI11 0 0 0.0000 10 11 18 19 35
12 CHI12 0 0 0.0000 11 18 19 20 30
13 CHI13 0 0 0.0000 7 8 39 40 51
14 CHI14 0 0 0.0000 8 39 40 41 44
15 CHI15 0 0 0.0000 8 39 45 46 49
16 CHI16 0 0 0.0000 4 5 55 56 75
17 CHI17 0 0 0.0000 5 55 56 57 72
18 PHI1 0 0 0.0000 2 1 80 91 0
19 CHI18 0 0 0.0000 1 80 81 82 85
20 CHI19 0 0 0.0000 1 80 86 87 90
21 PHI2 0 0 0.0000 1 80 91 94 0
1 S1 S_XXX 0 0.0000 1.3920 0.5070 -4.2160 2 3 4 80 0
2 O2 O_XXX 0 0.0000 0.7280 -0.3700 -5.1150 1 0 0 0 0
3 O3 O_XXX 0 0.0000 0.9040 1.8300 -4.0380 1 0 0 0 0
4 C36 C_ALI 0 0.0000 1.5230 -0.2960 -2.5950 1 5 77 78 0
5 C34 C_ALI 0 0.0000 0.1440 -0.3340 -1.9320 4 6 55 76 0
6 C32 C_BYL 0 0.0000 0.2700 -0.9120 -0.5450 5 7 54 0 0
7 N25 N_AMO 0 0.0000 1.0540 -0.3060 0.3680 6 8 53 0 0
8 C26 C_ALI 0 0.0000 1.1760 -0.8680 1.7150 7 9 39 52 0
9 C27 C_BYL 0 0.0000 1.4330 0.2420 2.7010 8 10 38 0 0
10 N16 N_AMO 0 0.0000 1.4020 -0.0100 4.0240 9 11 37 0 0
11 C17 C_ALI 0 0.0000 1.5410 1.0880 4.9830 10 12 18 36 0
12 C15 C_ALI 0 0.0000 3.0210 1.2910 5.3160 11 13 15 16 0
13 O14 O_HYD 0 0.0000 3.5500 0.0920 5.8850 12 14 0 0 0
14 HO4 H_OXY 0 0.0000 4.4820 0.2620 6.0800 13 0 0 0 0
15 H151 H_ALI 0 0.0000 3.5680 1.5330 4.4050 12 0 0 0 17
16 H152 H_ALI 0 0.0000 3.1240 2.1080 6.0290 12 0 0 0 17
17 Q1 PSEUD 0 0.0000 3.3460 1.8205 5.2170 0 0 0 0 0
18 C18 C_ALI 0 0.0000 0.7730 0.7480 6.2620 11 19 33 34 0
19 C19 C_ARO 0 0.0000 -0.6830 0.5480 5.9350 18 20 24 0 0
20 C20 C_ARO 0 0.0000 -1.1500 -0.7080 5.5970 19 21 23 0 0
21 C21 C_ARO 0 0.0000 -2.4860 -0.8910 5.2970 20 22 26 0 0
22 H21 H_ALI 0 0.0000 -2.8500 -1.8730 5.0320 21 0 0 0 31
23 H20 H_ALI 0 0.0000 -0.4690 -1.5460 5.5670 20 0 0 0 30
24 C24 C_ARO 0 0.0000 -1.5550 1.6200 5.9780 19 25 29 0 0
25 C23 C_ARO 0 0.0000 -2.8910 1.4370 5.6730 24 26 28 0 0
26 C22 C_ARO 0 0.0000 -3.3570 0.1810 5.3350 21 25 27 0 0
27 H22 H_ALI 0 0.0000 -4.4010 0.0370 5.0990 26 0 0 0 0
28 H23 H_ALI 0 0.0000 -3.5710 2.2760 5.7030 25 0 0 0 31
29 H24 H_ALI 0 0.0000 -1.1910 2.6020 6.2430 24 0 0 0 30
30 Q10 PSEUD 0 0.0000 -0.8300 0.5280 5.9050 0 0 0 0 32
31 Q11 PSEUD 0 0.0000 -3.2105 0.2015 5.3675 0 0 0 0 32
32 QQC PSEUD 0 0.0000 -2.0203 0.3647 5.6363 0 0 0 0 0
33 H181 H_ALI 0 0.0000 1.1770 -0.1660 6.6970 18 0 0 0 35
34 H182 H_ALI 0 0.0000 0.8760 1.5660 6.9760 18 0 0 0 35
35 Q2 PSEUD 0 0.0000 1.0265 0.7000 6.8365 0 0 0 0 0
36 H17 H_ALI 0 0.0000 1.1370 2.0020 4.5490 11 0 0 0 0
37 HN6 H_AMI 0 0.0000 1.2890 -0.9200 4.3420 10 0 0 0 0
38 O28 O_BYL 0 0.0000 1.6670 1.3640 2.3030 9 0 0 0 0
39 C29 C_ALI 0 0.0000 2.3390 -1.8610 1.7510 8 40 45 51 0
40 C30 C_ALI 0 0.0000 2.0080 -3.0660 0.8680 39 41 42 43 0
41 H301 H_ALI 0 0.0000 2.8370 -3.7730 0.8940 40 0 0 0 44
42 H302 H_ALI 0 0.0000 1.1050 -3.5510 1.2390 40 0 0 0 44
43 H303 H_ALI 0 0.0000 1.8460 -2.7320 -0.1560 40 0 0 0 44
44 Q3 PSEUD 0 0.0000 1.9293 -3.3520 0.6590 0 0 0 0 50
45 C31 C_ALI 0 0.0000 3.6070 -1.1800 1.2300 39 46 47 48 0
46 H311 H_ALI 0 0.0000 3.4720 -0.9160 0.1810 45 0 0 0 49
47 H312 H_ALI 0 0.0000 3.7990 -0.2780 1.8100 45 0 0 0 49
48 H313 H_ALI 0 0.0000 4.4510 -1.8620 1.3280 45 0 0 0 49
49 Q4 PSEUD 0 0.0000 3.9073 -1.0187 1.1063 0 0 0 0 50
50 QQA PSEUD 0 0.0000 2.9183 -2.1853 0.8827 0 0 0 0 0
51 H29 H_ALI 0 0.0000 2.5010 -2.1940 2.7760 39 0 0 0 0
52 H26 H_ALI 0 0.0000 0.2510 -1.3810 1.9800 8 0 0 0 0
53 HN5 H_AMI 0 0.0000 1.5370 0.5000 0.1330 7 0 0 0 0
54 O33 O_BYL 0 0.0000 -0.3340 -1.9210 -0.2520 6 0 0 0 0
55 C35 C_ALI 0 0.0000 -0.7970 -1.2060 -2.7640 5 56 73 74 0
56 C7 C_ARO 0 0.0000 -2.0240 -0.4120 -3.1310 55 57 61 0 0
57 C6 C_ARO 0 0.0000 -2.0670 0.2770 -4.3040 56 58 60 0 0
58 C5 C_ARO 0 0.0000 -3.1930 1.0170 -4.6600 57 59 63 0 0
59 H5 H_ALI 0 0.0000 -3.2010 1.5550 -5.5960 58 0 0 0 0
60 H6 H_ALI 0 0.0000 -1.2160 0.2500 -4.9680 57 0 0 0 0
61 C8 C_ARO 0 0.0000 -3.1310 -0.3830 -2.2660 56 62 67 0 0
62 C9 C_ARO 0 0.0000 -4.2740 0.3730 -2.6260 61 63 65 0 0
63 C4 C_ARO 0 0.0000 -4.2820 1.0720 -3.8450 58 62 64 0 0
64 H4 H_ALI 0 0.0000 -5.1470 1.6500 -4.1340 63 0 0 0 0
65 C10 C_ARO 0 0.0000 -5.3800 0.4060 -1.7590 62 66 69 0 0
66 H10 H_ALI 0 0.0000 -6.2590 0.9760 -2.0210 65 0 0 0 0
67 C13 C_ARO 0 0.0000 -3.1210 -1.0770 -1.0440 61 68 72 0 0
68 C12 C_ARO 0 0.0000 -4.2100 -1.0220 -0.2300 67 69 71 0 0
69 C11 C_ARO 0 0.0000 -5.3360 -0.2820 -0.5860 65 68 70 0 0
70 H11 H_ALI 0 0.0000 -6.1870 -0.2550 0.0780 69 0 0 0 0
71 H12 H_ALI 0 0.0000 -4.2010 -1.5600 0.7060 68 0 0 0 0
72 H13 H_ALI 0 0.0000 -2.2550 -1.6540 -0.7550 67 0 0 0 0
73 H351 H_ALI 0 0.0000 -0.2870 -1.5270 -3.6720 55 0 0 0 75
74 H352 H_ALI 0 0.0000 -1.0910 -2.0810 -2.1840 55 0 0 0 75
75 Q5 PSEUD 0 0.0000 -0.6890 -1.8040 -2.9280 0 0 0 0 0
76 H34 H_ALI 0 0.0000 -0.2560 0.6760 -1.8690 5 0 0 0 0
77 H361 H_ALI 0 0.0000 2.2130 0.2650 -1.9650 4 0 0 0 79
78 H362 H_ALI 0 0.0000 1.8930 -1.3130 -2.7220 4 0 0 0 79
79 Q6 PSEUD 0 0.0000 2.0530 -0.5240 -2.3435 0 0 0 0 0
80 C38 C_ALI 0 0.0000 3.1510 0.5800 -4.6530 1 81 86 91 0
81 C37 C_ALI 0 0.0000 3.3080 1.2380 -6.0250 80 82 83 84 0
82 H371 H_ALI 0 0.0000 4.3650 1.2820 -6.2880 81 0 0 0 85
83 H372 H_ALI 0 0.0000 2.7720 0.6540 -6.7730 81 0 0 0 85
84 H373 H_ALI 0 0.0000 2.8990 2.2480 -5.9930 81 0 0 0 85
85 Q7 PSEUD 0 0.0000 3.3453 1.3947 -6.3513 0 0 0 0 0
86 C39 C_ALI 0 0.0000 3.9030 1.4010 -3.6040 80 87 88 89 96
87 H391 H_ALI 0 0.0000 3.4950 2.4110 -3.5720 86 0 0 0 90
88 H392 H_ALI 0 0.0000 3.7910 0.9320 -2.6270 86 0 0 0 90
89 H393 H_ALI 0 0.0000 4.9600 1.4450 -3.8670 86 0 0 0 90
90 Q8 PSEUD 0 0.0000 4.0820 1.5960 -3.3553 0 0 0 0 0
91 C40 C_ALI 0 0.0000 3.7240 -0.8370 -4.6990 80 92 93 94 96
92 H401 H_ALI 0 0.0000 3.1880 -1.4220 -5.4460 91 0 0 0 95
93 H402 H_ALI 0 0.0000 4.7810 -0.7930 -4.9620 91 0 0 0 95
94 H403 H_ALI 0 0.0000 3.6120 -1.3060 -3.7220 91 0 0 0 95
95 Q9 PSEUD 0 0.0000 3.8603 -1.1737 -4.7100 0 0 0 0 0
96 QQB PSEUD 0 0.0000 NaN 0.1880 -2.7677 0 0 0 0 96