REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE"
RESIDUE MY9 31 94 1 94
1 CHI1 0 0 0.0000 1 2 3 4 8
2 CHI2 0 0 0.0000 3 4 5 6 6
3 PHI1 0 0 0.0000 2 1 11 12 0
4 PHI2 0 0 0.0000 1 11 12 19 0
5 CHI3 0 0 0.0000 11 12 13 14 17
6 PHI3 0 0 0.0000 11 12 19 21 0
7 PHI4 0 0 0.0000 12 19 21 23 0
8 PHI5 0 0 0.0000 19 21 23 43 0
9 CHI4 0 0 0.0000 23 24 25 26 41
10 CHI5 0 0 0.0000 24 25 28 29 41
11 CHI6 0 0 0.0000 25 28 29 30 36
12 CHI7 0 0 0.0000 28 29 30 31 34
13 CHI8 0 0 0.0000 25 28 37 38 41
14 PHI6 0 0 0.0000 21 23 43 45 0
15 PHI7 0 0 0.0000 43 45 46 48 0
16 PHI8 0 0 0.0000 45 46 48 50 0
17 PHI9 0 0 0.0000 46 48 50 67 0
18 CHI9 0 0 0.0000 48 50 51 52 65
19 CHI10 0 0 0.0000 50 51 52 53 62
20 CHI11 0 0 0.0000 51 52 53 54 56
21 CHI12 0 0 0.0000 52 57 58 59 61
22 PHI10 0 0 0.0000 48 50 67 71 0
23 CHI13 0 0 0.0000 50 67 68 69 69
24 PHI11 0 0 0.0000 50 67 71 81 0
25 CHI14 0 0 0.0000 67 71 72 73 79
26 CHI15 0 0 0.0000 71 72 73 74 78
27 CHI16 0 0 0.0000 72 73 74 75 78
28 PHI12 0 0 0.0000 67 71 81 83 0
29 PHI13 0 0 0.0000 71 81 83 89 0
30 CHI17 0 0 0.0000 81 83 84 85 88
31 PHI14 0 0 0.0000 81 83 89 92 0
1 C1 C_BYL 0 0.0000 -9.8840 0.3740 1.3240 2 10 11 0 0
2 C6 C_BYL 0 0.0000 -10.6500 -0.0470 2.4110 1 3 9 0 0
3 C5 C_BYL 0 0.0000 -12.0370 -0.1400 2.2940 2 4 8 0 0
4 C4 C_BYL 0 0.0000 -12.6580 0.1880 1.0880 3 5 7 0 0
5 C3 C_BYL 0 0.0000 -11.8920 0.6090 0.0010 4 6 11 0 0
6 H3 H_ALI 0 0.0000 -12.3850 0.8620 -0.9340 5 0 0 0 0
7 H4 H_ALI 0 0.0000 -13.7370 0.1160 0.9970 4 0 0 0 0
8 F1 X_XXX 0 0.0000 -12.7720 -0.5440 3.3380 3 0 0 0 0
9 H6 H_ALI 0 0.0000 -10.1670 -0.3030 3.3500 2 0 0 0 0
10 H1 H_ALI 0 0.0000 -8.8040 0.4430 1.4250 1 0 0 0 0
11 C2 C_BYL 0 0.0000 -10.5180 0.6950 0.1360 1 5 12 0 0
12 C7 C_ALI 0 0.0000 -9.6870 1.1510 -1.0440 11 13 18 19 0
13 C18 C_ALI 0 0.0000 -9.4910 2.6660 -1.0720 12 14 15 16 0
14 H181 H_ALI 0 0.0000 -8.4330 2.9290 -0.9580 13 0 0 0 17
15 H182 H_ALI 0 0.0000 -9.8430 3.0810 -2.0230 13 0 0 0 17
16 H183 H_ALI 0 0.0000 -10.0510 3.1670 -0.2750 13 0 0 0 17
17 Q1 PSEUD 0 0.0000 -9.4423 3.0590 -1.0853 0 0 0 0 0
18 H7 H_ALI 0 0.0000 -10.1930 0.8620 -1.9730 12 0 0 0 0
19 N1 N_AMI 0 0.0000 -8.4050 0.4840 -1.0780 12 20 21 0 0
20 HN1 H_AMI 0 0.0000 -7.6490 0.9100 -0.5520 19 0 0 0 0
21 C8 C_BYL 0 0.0000 -8.1870 -0.7400 -1.7200 19 22 23 0 0
22 O1 O_BYL 0 0.0000 -9.0910 -1.3520 -2.3170 21 0 0 0 0
23 C9 C_BYL 0 0.0000 -6.8460 -1.2960 -1.6440 21 24 43 0 0
24 C14 C_BYL 0 0.0000 -6.6560 -2.6750 -1.7310 23 25 42 0 0
25 C13 C_BYL 0 0.0000 -5.3690 -3.2090 -1.6580 24 26 28 0 0
26 C12 C_BYL 0 0.0000 -4.2720 -2.3620 -1.4980 25 27 45 0 0
27 H12 H_ALI 0 0.0000 -3.2680 -2.7790 -1.4410 26 0 0 0 0
28 N2 N_AMO 0 0.0000 -5.1750 -4.6200 -1.7460 25 29 37 0 0
29 S1 S_XXX 0 0.0000 -5.1680 -5.5150 -0.2690 28 30 35 36 0
30 C15 C_ALI 0 0.0000 -3.4410 -5.4680 0.1620 29 31 32 33 0
31 H151 H_ALI 0 0.0000 -2.8960 -6.1120 -0.5300 30 0 0 0 34
32 H152 H_ALI 0 0.0000 -3.0940 -4.4380 0.0800 30 0 0 0 34
33 H153 H_ALI 0 0.0000 -3.3320 -5.8290 1.1860 30 0 0 0 34
34 Q2 PSEUD 0 0.0000 -3.1073 -5.4597 0.2453 0 0 0 0 0
35 O2 O_XXX 0 0.0000 -5.4950 -6.9030 -0.5430 29 0 0 0 0
36 O3 O_XXX 0 0.0000 -5.8910 -4.7860 0.7560 29 0 0 0 0
37 C16 C_ALI 0 0.0000 -4.3290 -5.1300 -2.8630 28 38 39 40 0
38 H161 H_ALI 0 0.0000 -3.2720 -4.9580 -2.6420 37 0 0 0 41
39 H162 H_ALI 0 0.0000 -4.5830 -4.6160 -3.7940 37 0 0 0 41
40 H163 H_ALI 0 0.0000 -4.4900 -6.2030 -3.0000 37 0 0 0 41
41 Q3 PSEUD 0 0.0000 -4.1150 -5.2590 -3.1453 0 0 0 0 0
42 H14 H_ALI 0 0.0000 -7.5120 -3.3360 -1.8560 24 0 0 0 0
43 C10 C_BYL 0 0.0000 -5.7480 -0.4500 -1.4840 23 44 45 0 0
44 H10 H_ALI 0 0.0000 -5.8960 0.6260 -1.4180 43 0 0 0 0
45 C11 C_BYL 0 0.0000 -4.4860 -1.0020 -1.4150 26 43 46 0 0
46 C17 C_BYL 0 0.0000 -3.3180 -0.1010 -1.2440 45 47 48 0 0
47 O4 O_BYL 0 0.0000 -3.3940 1.0610 -1.6350 46 0 0 0 0
48 N3 N_AMI 0 0.0000 -2.2160 -0.6580 -0.6180 46 49 50 0 0
49 HN3 H_AMI 0 0.0000 -2.2470 -1.6070 -0.2640 48 0 0 0 0
50 C19 C_ALI 0 0.0000 -1.0090 0.1000 -0.3560 48 51 66 67 0
51 C20 C_ALI 0 0.0000 -0.3970 0.5420 -1.6990 50 52 63 64 0
52 C21 C_BYL 0 0.0000 0.2930 -0.5680 -2.4530 51 53 57 0 0
53 C22 C_BYL 0 0.0000 1.6410 -0.8050 -2.2320 52 54 56 0 0
54 C23 C_BYL 0 0.0000 2.2780 -1.8320 -2.9290 53 55 59 0 0
55 H23 H_ALI 0 0.0000 3.3340 -2.0270 -2.7640 54 0 0 0 0
56 H22 H_ALI 0 0.0000 2.2090 -0.2050 -1.5260 53 0 0 0 0
57 C26 C_BYL 0 0.0000 -0.4340 -1.3330 -3.3520 52 58 62 0 0
58 C25 C_BYL 0 0.0000 0.2030 -2.3600 -4.0490 57 59 61 0 0
59 C24 C_BYL 0 0.0000 1.5590 -2.6090 -3.8370 54 58 60 0 0
60 H24 H_ALI 0 0.0000 2.0550 -3.4090 -4.3790 59 0 0 0 0
61 H25 H_ALI 0 0.0000 -0.3560 -2.9650 -4.7560 58 0 0 0 0
62 H26 H_ALI 0 0.0000 -1.4910 -1.1460 -3.5240 57 0 0 0 0
63 H201 H_ALI 0 0.0000 0.3430 1.3360 -1.5220 51 0 0 0 65
64 H202 H_ALI 0 0.0000 -1.1630 1.0090 -2.3330 51 0 0 0 65
65 Q4 PSEUD 0 0.0000 -0.4100 1.1725 -1.9275 0 0 0 0 0
66 H19 H_ALI 0 0.0000 -0.3250 -0.5980 0.1420 50 0 0 0 0
67 C27 C_ALI 0 0.0000 -1.3030 1.2720 0.6080 50 68 70 71 0
68 O5 O_HYD 0 0.0000 -0.0920 1.9720 0.8920 67 69 0 0 0
69 HO5 H_OXY 0 0.0000 0.1620 1.7240 1.7940 68 0 0 0 0
70 H27 H_ALI 0 0.0000 -1.9760 1.9820 0.1110 67 0 0 0 0
71 C29 C_ALI 0 0.0000 -1.9480 0.8310 1.9110 67 72 80 81 0
72 C30 C_BYL 0 0.0000 -2.2010 1.9910 2.8450 71 73 79 0 0
73 N5 N_AMO 0 0.0000 -3.4570 1.7800 3.3980 72 74 83 0 0
74 C31 C_ALI 0 0.0000 -4.0620 2.6300 4.4070 73 75 76 77 0
75 H311 H_ALI 0 0.0000 -4.0960 3.6640 4.0570 74 0 0 0 78
76 H312 H_ALI 0 0.0000 -3.4810 2.5900 5.3330 74 0 0 0 78
77 H313 H_ALI 0 0.0000 -5.0820 2.2970 4.6190 74 0 0 0 78
78 Q5 PSEUD 0 0.0000 -4.2197 2.8503 4.6697 0 0 0 0 0
79 O6 O_BYL 0 0.0000 -1.4160 2.9000 3.0740 72 0 0 0 0
80 H29 H_ALI 0 0.0000 -1.3010 0.1110 2.4240 71 0 0 0 0
81 N4 N_AMI 0 0.0000 -3.2800 0.2390 1.6970 71 82 83 0 0
82 HN4 H_AMI 0 0.0000 -3.7070 0.6950 0.8900 81 0 0 0 0
83 C28 C_ALI 0 0.0000 -4.0790 0.5670 2.8980 73 81 84 89 0
84 C32 C_ALI 0 0.0000 -5.5450 0.7660 2.4990 83 85 86 87 0
85 H321 H_ALI 0 0.0000 -5.6330 0.9100 1.4180 84 0 0 0 88
86 H322 H_ALI 0 0.0000 -6.1410 -0.1080 2.7790 84 0 0 0 88
87 H323 H_ALI 0 0.0000 -5.9640 1.6440 2.9980 84 0 0 0 88
88 Q6 PSEUD 0 0.0000 -5.9127 0.8153 2.3983 0 0 0 0 94
89 C33 C_ALI 0 0.0000 -3.9540 -0.5820 3.9060 83 90 91 92 0
90 H331 H_ALI 0 0.0000 -4.4200 -1.4910 3.5130 89 0 0 0 93
91 H332 H_ALI 0 0.0000 -2.9020 -0.7980 4.1160 89 0 0 0 93
92 H333 H_ALI 0 0.0000 -4.4460 -0.3220 4.8480 89 0 0 0 93
93 Q7 PSEUD 0 0.0000 -3.9227 -0.8703 4.1590 0 0 0 0 94
94 QQA PSEUD 0 0.0000 -4.9177 -0.0275 3.2787 0 0 0 0 0