REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE RESIDUE BCQ 25 105 1 105 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 2 1 10 11 18 4 CHI4 0 0 0.0000 1 10 11 12 15 5 PHI1 0 0 0.0000 2 1 19 21 0 6 PHI2 0 0 0.0000 1 19 21 23 0 7 PHI3 0 0 0.0000 19 21 23 53 0 8 CHI5 0 0 0.0000 21 23 24 25 51 9 CHI6 0 0 0.0000 23 24 25 26 48 10 CHI7 0 0 0.0000 24 25 26 27 46 11 CHI8 0 0 0.0000 25 26 27 28 43 12 CHI9 0 0 0.0000 26 27 28 29 35 13 CHI10 0 0 0.0000 27 28 29 30 33 14 CHI11 0 0 0.0000 27 36 37 38 41 15 CHI12 0 0 0.0000 27 36 42 43 43 16 PHI4 0 0 0.0000 21 23 53 55 0 17 PHI5 0 0 0.0000 23 53 55 57 0 18 PHI6 0 0 0.0000 53 55 57 81 0 19 CHI13 0 0 0.0000 55 57 58 59 79 20 CHI14 0 0 0.0000 57 58 59 60 76 21 CHI15 0 0 0.0000 58 59 60 61 71 22 PHI7 0 0 0.0000 55 57 81 85 0 23 PHI8 0 0 0.0000 57 81 85 89 0 24 PHI9 0 0 0.0000 81 85 89 105 0 25 CHI16 0 0 0.0000 85 89 90 91 101 1 N3 N_AMI 0 0.0000 -0.3540 -4.1380 -1.3950 2 10 19 0 0 2 C2 C_ALI 0 0.0000 -0.7310 -5.1810 -0.4260 1 3 7 8 0 3 C3 C_ALI 0 0.0000 -1.8950 -5.9840 -1.0170 2 4 5 12 0 4 H31 H_ALI 0 0.0000 -2.1430 -6.8080 -0.3490 3 0 0 0 6 5 H32 H_ALI 0 0.0000 -2.7630 -5.3350 -1.1300 3 0 0 0 6 6 Q1 PSEUD 0 0.0000 -2.4530 -6.0715 -0.7395 0 0 0 0 0 7 H21 H_ALI 0 0.0000 0.1180 -5.8410 -0.2470 2 0 0 0 9 8 H22 H_ALI 0 0.0000 -1.0410 -4.7180 0.5110 2 0 0 0 9 9 Q2 PSEUD 0 0.0000 -0.4615 -5.2795 0.1320 0 0 0 0 0 10 C4 C_ALI 0 0.0000 -0.2000 -4.5430 -2.8030 1 11 16 17 0 11 C5 C_ALI 0 0.0000 -1.4040 -5.4010 -3.1920 10 12 13 14 0 12 O6 O_EST 0 0.0000 -1.5190 -6.5020 -2.2920 3 11 0 0 0 13 H51 H_ALI 0 0.0000 -1.2720 -5.7740 -4.2080 11 0 0 0 15 14 H52 H_ALI 0 0.0000 -2.3090 -4.7950 -3.1430 11 0 0 0 15 15 Q3 PSEUD 0 0.0000 -1.7905 -5.2845 -3.6755 0 0 0 0 0 16 H41 H_ALI 0 0.0000 -0.1580 -3.6590 -3.4400 10 0 0 0 18 17 H42 H_ALI 0 0.0000 0.7160 -5.1220 -2.9150 10 0 0 0 18 18 Q4 PSEUD 0 0.0000 0.2790 -4.3905 -3.1775 0 0 0 0 0 19 C1 C_BYL 0 0.0000 -0.1630 -2.8600 -1.0100 1 20 21 0 0 20 O1 O_BYL 0 0.0000 0.0390 -1.9980 -1.8420 19 0 0 0 0 21 N N_AMI 0 0.0000 -0.1950 -2.5390 0.2990 19 22 23 0 0 22 HN H_AMI 0 0.0000 -0.2800 -3.2370 0.9670 21 0 0 0 0 23 CA C_ALI 0 0.0000 -0.1020 -1.1370 0.7120 21 24 52 53 0 24 C03 C_ALI 0 0.0000 1.2210 -0.5470 0.2190 23 25 49 50 0 25 S04 S_XXX 0 0.0000 2.6030 -1.4800 0.9330 24 26 47 48 0 26 C09 C_ALI 0 0.0000 3.9880 -0.5750 0.1890 25 27 44 45 0 27 C12 C_BYL 0 0.0000 5.2890 -1.1830 0.6460 26 28 36 0 0 28 C16 C_ALI 0 0.0000 5.9200 -1.0220 2.0100 27 29 34 35 0 29 C18 C_ALI 0 0.0000 6.2270 0.4520 2.2820 28 30 31 32 0 30 H181 H_ALI 0 0.0000 6.8970 0.8320 1.5100 29 0 0 0 33 31 H182 H_ALI 0 0.0000 5.3000 1.0250 2.2710 29 0 0 0 33 32 H183 H_ALI 0 0.0000 6.7040 0.5500 3.2570 29 0 0 0 33 33 Q5 PSEUD 0 0.0000 6.3003 0.8023 2.3460 0 0 0 0 0 34 O15 O_EST 0 0.0000 7.1360 -1.7830 1.9550 28 42 0 0 0 35 H16 H_ALI 0 0.0000 5.2600 -1.4190 2.7810 28 0 0 0 0 36 C13 C_BYL 0 0.0000 6.0840 -1.9510 -0.0730 27 37 42 0 0 37 C17 C_ALI 0 0.0000 5.8140 -2.3560 -1.4990 36 38 39 40 0 38 H171 H_ALI 0 0.0000 6.6250 -2.9910 -1.8560 37 0 0 0 41 39 H172 H_ALI 0 0.0000 4.8740 -2.9040 -1.5500 37 0 0 0 41 40 H173 H_ALI 0 0.0000 5.7500 -1.4650 -2.1240 37 0 0 0 41 41 Q6 PSEUD 0 0.0000 5.7497 -2.4533 -1.8433 0 0 0 0 0 42 N14 N_AMO 0 0.0000 7.1960 -2.3370 0.6530 34 36 43 0 0 43 HN14 H_AMI 0 0.0000 7.9090 -2.9040 0.3210 42 0 0 0 0 44 H091 H_ALI 0 0.0000 3.9460 0.4690 0.4970 26 0 0 0 46 45 H092 H_ALI 0 0.0000 3.9200 -0.6360 -0.8970 26 0 0 0 46 46 Q7 PSEUD 0 0.0000 3.9330 -0.0835 -0.2000 0 0 0 0 0 47 O05 O_XXX 0 0.0000 2.5840 -2.8030 0.4150 25 0 0 0 0 48 O06 O_XXX 0 0.0000 2.6200 -1.2770 2.3390 25 0 0 0 0 49 H031 H_ALI 0 0.0000 1.2900 0.4970 0.5260 24 0 0 0 51 50 H032 H_ALI 0 0.0000 1.2640 -0.6090 -0.8690 24 0 0 0 51 51 Q8 PSEUD 0 0.0000 1.2770 -0.0560 -0.1715 0 0 0 0 0 52 HA H_ALI 0 0.0000 -0.1450 -1.0750 1.7990 23 0 0 0 0 53 C C_BYL 0 0.0000 -1.2500 -0.3610 0.1180 23 54 55 0 0 54 O O_BYL 0 0.0000 -1.8450 -0.8000 -0.8430 53 0 0 0 0 55 N2 N_AMI 0 0.0000 -1.6150 0.8190 0.6560 53 56 57 0 0 56 HN2 H_AMI 0 0.0000 -1.1390 1.1700 1.4250 55 0 0 0 0 57 CA2 C_ALI 0 0.0000 -2.7310 1.5730 0.0800 55 58 80 81 0 58 CB2 C_ALI 0 0.0000 -4.0480 1.0640 0.6680 57 59 77 78 0 59 CB8 C_ALI 0 0.0000 -4.2730 -0.3860 0.2370 58 60 74 75 0 60 CG2 C_ARO 0 0.0000 -5.5710 -0.8870 0.8170 59 61 65 0 0 61 CD1 C_ARO 0 0.0000 -6.7490 -0.7360 0.1080 60 62 64 0 0 62 CE1 C_ARO 0 0.0000 -7.9390 -1.1960 0.6400 61 63 67 0 0 63 HE1 H_ALI 0 0.0000 -8.8590 -1.0770 0.0870 62 0 0 0 72 64 HD1 H_ALI 0 0.0000 -6.7390 -0.2590 -0.8610 61 0 0 0 71 65 CD2 C_ARO 0 0.0000 -5.5830 -1.5020 2.0540 60 66 70 0 0 66 CE2 C_ARO 0 0.0000 -6.7740 -1.9580 2.5880 65 67 69 0 0 67 CZ C_ARO 0 0.0000 -7.9510 -1.8070 1.8800 62 66 68 0 0 68 HZ H_ALI 0 0.0000 -8.8820 -2.1650 2.2960 67 0 0 0 0 69 HE2 H_ALI 0 0.0000 -6.7840 -2.4350 3.5570 66 0 0 0 72 70 HD2 H_ALI 0 0.0000 -4.6630 -1.6210 2.6070 65 0 0 0 71 71 Q13 PSEUD 0 0.0000 -5.7010 -0.9400 0.8730 0 0 0 0 73 72 Q14 PSEUD 0 0.0000 -7.8215 -1.7560 1.8220 0 0 0 0 73 73 QQA PSEUD 0 0.0000 -6.7613 -1.3480 1.3475 0 0 0 0 0 74 HB81 H_ALI 0 0.0000 -4.3170 -0.4390 -0.8510 59 0 0 0 76 75 HB82 H_ALI 0 0.0000 -3.4520 -1.0040 0.5970 59 0 0 0 76 76 Q9 PSEUD 0 0.0000 -3.8845 -0.7215 -0.1270 0 0 0 0 0 77 HB21 H_ALI 0 0.0000 -4.0040 1.1170 1.7560 58 0 0 0 79 78 HB22 H_ALI 0 0.0000 -4.8700 1.6830 0.3080 58 0 0 0 79 79 Q10 PSEUD 0 0.0000 -4.4370 1.4000 1.0320 0 0 0 0 0 80 HA2 H_ALI 0 0.0000 -2.7400 1.4380 -1.0020 57 0 0 0 0 81 CT C_ALI 0 0.0000 -2.5660 3.0590 0.4070 57 82 83 85 0 82 HT1 H_ALI 0 0.0000 -3.4400 3.6070 0.0550 81 0 0 0 84 83 HT2 H_ALI 0 0.0000 -2.4680 3.1840 1.4850 81 0 0 0 84 84 Q11 PSEUD 0 0.0000 -2.9540 3.3955 0.7700 0 0 0 0 0 85 C7A C_ALI 0 0.0000 -1.3130 3.5970 -0.2860 81 86 87 89 0 86 H7A1 H_ALI 0 0.0000 -0.4390 3.0490 0.0650 85 0 0 0 88 87 H7A2 H_ALI 0 0.0000 -1.4110 3.4710 -1.3640 85 0 0 0 88 88 Q12 PSEUD 0 0.0000 -0.9250 3.2600 -0.6495 0 0 0 0 0 89 S1 S_XXX 0 0.0000 -1.1170 5.3590 0.1020 85 90 104 105 0 90 C4A C_ARO 0 0.0000 0.3510 5.8000 -0.7660 89 91 95 0 0 91 C3A C_ARO 0 0.0000 0.2740 6.2580 -2.0680 90 92 94 0 0 92 C2A C_ARO 0 0.0000 1.4260 6.6040 -2.7490 91 93 97 0 0 93 H2A H_ALI 0 0.0000 1.3650 6.9610 -3.7670 92 0 0 0 102 94 H3A H_ALI 0 0.0000 -0.6870 6.3440 -2.5540 91 0 0 0 101 95 C5A C_ARO 0 0.0000 1.5810 5.6940 -0.1430 90 96 100 0 0 96 C6A C_ARO 0 0.0000 2.7330 6.0360 -0.8250 95 97 99 0 0 97 C1A C_ARO 0 0.0000 2.6560 6.4930 -2.1280 92 96 98 0 0 98 H1A H_ALI 0 0.0000 3.5560 6.7630 -2.6600 97 0 0 0 0 99 H6A H_ALI 0 0.0000 3.6940 5.9500 -0.3400 96 0 0 0 102 100 H5A H_ALI 0 0.0000 1.6410 5.3370 0.8740 95 0 0 0 101 101 Q15 PSEUD 0 0.0000 0.4770 5.8405 -0.8400 0 0 0 0 103 102 Q16 PSEUD 0 0.0000 2.5295 6.4555 -2.0535 0 0 0 0 103 103 QQB PSEUD 0 0.0000 1.5033 6.1480 -1.4467 0 0 0 0 0 104 O1A O_XXX 0 0.0000 -2.1100 6.1490 -0.5370 89 0 0 0 0 105 O2 O_XXX 0 0.0000 -0.7520 5.5580 1.4600 89 0 0 0 0