REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE RESIDUE RO1 33 123 1 123 1 CHI1 0 0 0.0000 1 2 4 5 8 2 PHI1 0 0 0.0000 1 2 9 21 0 3 CHI2 0 0 0.0000 2 9 10 11 14 4 CHI3 0 0 0.0000 2 9 15 16 19 5 PHI2 0 0 0.0000 2 9 21 42 0 6 CHI4 0 0 0.0000 9 21 22 23 40 7 CHI5 0 0 0.0000 21 22 23 24 39 8 CHI6 0 0 0.0000 22 23 25 26 39 9 CHI7 0 0 0.0000 23 25 26 27 36 10 CHI8 0 0 0.0000 25 26 27 28 36 11 PHI3 0 0 0.0000 9 21 42 44 0 12 PHI4 0 0 0.0000 21 42 44 46 0 13 PHI5 0 0 0.0000 42 44 46 66 0 14 CHI9 0 0 0.0000 44 46 47 48 64 15 CHI10 0 0 0.0000 46 47 48 49 59 16 PHI6 0 0 0.0000 44 46 66 68 0 17 PHI7 0 0 0.0000 46 66 68 72 0 18 PHI8 0 0 0.0000 66 68 72 110 0 19 CHI11 0 0 0.0000 68 72 73 74 109 20 CHI12 0 0 0.0000 72 73 74 75 94 21 CHI13 0 0 0.0000 73 74 76 77 94 22 CHI14 0 0 0.0000 74 76 77 78 92 23 CHI15 0 0 0.0000 76 77 78 79 82 24 CHI16 0 0 0.0000 76 77 83 84 87 25 CHI17 0 0 0.0000 76 77 88 89 92 26 CHI18 0 0 0.0000 72 73 95 96 108 27 CHI19 0 0 0.0000 73 95 96 97 105 28 CHI20 0 0 0.0000 95 96 97 98 104 29 CHI21 0 0 0.0000 96 97 98 99 101 30 PHI9 0 0 0.0000 68 72 110 114 0 31 PHI10 0 0 0.0000 72 110 114 116 0 32 PHI11 0 0 0.0000 110 114 116 120 0 33 PHI12 0 0 0.0000 114 116 120 122 0 1 O6 O_XXX 0 0.0000 2.8430 4.4050 -2.1620 2 0 0 0 0 2 S1 S_XXX 0 0.0000 3.2410 3.3640 -1.2800 1 3 4 9 0 3 O5 O_XXX 0 0.0000 4.4450 2.6520 -1.5330 2 0 0 0 0 4 C37 C_ALI 0 0.0000 3.2820 4.0080 0.4150 2 5 6 7 0 5 H371 H_ALI 0 0.0000 3.4760 3.1910 1.1100 4 0 0 0 8 6 H372 H_ALI 0 0.0000 4.0730 4.7540 0.5010 4 0 0 0 8 7 H373 H_ALI 0 0.0000 2.3220 4.4670 0.6520 4 0 0 0 8 8 Q1 PSEUD 0 0.0000 3.2903 4.1373 0.7543 0 0 0 0 0 9 C29 C_ALI 0 0.0000 1.8790 2.1780 -1.1140 2 10 15 21 0 10 C33 C_ALI 0 0.0000 0.6280 2.9050 -0.6160 9 11 12 13 0 11 H331 H_ALI 0 0.0000 0.8030 3.2800 0.3920 10 0 0 0 14 12 H332 H_ALI 0 0.0000 0.4040 3.7390 -1.2810 10 0 0 0 14 13 H333 H_ALI 0 0.0000 -0.2140 2.2130 -0.6050 10 0 0 0 14 14 Q2 PSEUD 0 0.0000 0.3310 3.0773 -0.4980 0 0 0 0 20 15 C34 C_ALI 0 0.0000 1.5900 1.5380 -2.4730 9 16 17 18 0 16 H341 H_ALI 0 0.0000 0.7710 0.8260 -2.3730 15 0 0 0 19 17 H342 H_ALI 0 0.0000 1.3120 2.3130 -3.1880 15 0 0 0 19 18 H343 H_ALI 0 0.0000 2.4810 1.0200 -2.8280 15 0 0 0 19 19 Q3 PSEUD 0 0.0000 1.5213 1.3863 -2.7963 0 0 0 0 20 20 QQA PSEUD 0 0.0000 0.9262 2.2318 -1.6472 0 0 0 0 0 21 C26 C_ALI 0 0.0000 2.2690 1.0900 -0.1110 9 22 41 42 0 22 N5 N_AMO 0 0.0000 3.4680 0.3950 -0.5870 21 23 40 0 0 23 C32 C_BYL 0 0.0000 4.5850 0.3840 0.1680 22 24 25 0 0 24 O4 O_BYL 0 0.0000 4.5700 0.8670 1.2800 23 0 0 0 0 25 C36 C_ALI 0 0.0000 5.8520 -0.2280 -0.3710 23 26 37 38 0 26 O7 O_EST 0 0.0000 6.8870 -0.1180 0.6080 25 27 0 0 0 27 C1 C_ARO 0 0.0000 7.9990 -0.6840 0.0690 26 28 32 0 0 28 C2 C_ARO 0 0.0000 9.1880 -0.7310 0.7910 27 29 31 0 0 29 C4 C_ARO 0 0.0000 10.2950 -1.3180 0.1990 28 30 34 0 0 30 H4 H_ALI 0 0.0000 11.2340 -1.3710 0.7300 29 0 0 0 0 31 H2 H_ALI 0 0.0000 9.2460 -0.3190 1.7870 28 0 0 0 0 32 C5 C_ARO 0 0.0000 7.9640 -1.2290 -1.2060 27 33 36 0 0 33 N1 N_AMO 0 0.0000 9.0410 -1.7740 -1.7350 32 34 0 0 0 34 C3 C_ARO 0 0.0000 10.1830 -1.8340 -1.0790 29 33 35 0 0 35 H3 H_ALI 0 0.0000 11.0420 -2.2930 -1.5450 34 0 0 0 0 36 H5 H_ALI 0 0.0000 7.0460 -1.1980 -1.7750 32 0 0 0 0 37 H361 H_ALI 0 0.0000 5.6790 -1.2800 -0.6000 25 0 0 0 39 38 H362 H_ALI 0 0.0000 6.1520 0.2960 -1.2780 25 0 0 0 39 39 Q4 PSEUD 0 0.0000 5.9155 -0.4920 -0.9390 0 0 0 0 0 40 HN5 H_AMI 0 0.0000 3.4580 -0.0570 -1.4450 22 0 0 0 0 41 H26 H_ALI 0 0.0000 2.4740 1.5450 0.8580 21 0 0 0 0 42 C24 C_BYL 0 0.0000 1.1380 0.1040 0.0260 21 43 44 0 0 43 O3 O_BYL 0 0.0000 1.1610 -0.9360 -0.5980 42 0 0 0 0 44 N4 N_AMI 0 0.0000 0.1010 0.3770 0.8420 42 45 46 0 0 45 HN4 H_AMI 0 0.0000 0.0440 1.2400 1.2810 44 0 0 0 0 46 C15 C_ALI 0 0.0000 -0.9400 -0.6290 1.0660 44 47 65 66 0 47 C19 C_ALI 0 0.0000 -0.7560 -1.2540 2.4510 46 48 62 63 0 48 C25 C_ARO 0 0.0000 0.5460 -2.0110 2.4910 47 49 53 0 0 49 C27 C_ARO 0 0.0000 1.7070 -1.3700 2.8810 48 50 52 0 0 50 C30 C_ARO 0 0.0000 2.9010 -2.0640 2.9190 49 51 55 0 0 51 H30 H_ALI 0 0.0000 3.8080 -1.5630 3.2220 50 0 0 0 60 52 H27 H_ALI 0 0.0000 1.6800 -0.3260 3.1560 49 0 0 0 59 53 C28 C_ARO 0 0.0000 0.5790 -3.3490 2.1440 48 54 58 0 0 54 C31 C_ARO 0 0.0000 1.7740 -4.0420 2.1780 53 55 57 0 0 55 C35 C_ARO 0 0.0000 2.9350 -3.4010 2.5660 50 54 56 0 0 56 H35 H_ALI 0 0.0000 3.8680 -3.9430 2.5950 55 0 0 0 0 57 H31 H_ALI 0 0.0000 1.8000 -5.0860 1.9020 54 0 0 0 60 58 H28 H_ALI 0 0.0000 -0.3280 -3.8500 1.8410 53 0 0 0 59 59 Q16 PSEUD 0 0.0000 0.6760 -2.0880 2.4985 0 0 0 0 61 60 Q17 PSEUD 0 0.0000 2.8040 -3.3245 2.5620 0 0 0 0 61 61 QQC PSEUD 0 0.0000 1.7400 -2.7063 2.5302 0 0 0 0 0 62 H191 H_ALI 0 0.0000 -0.7430 -0.4670 3.2050 47 0 0 0 64 63 H192 H_ALI 0 0.0000 -1.5810 -1.9370 2.6530 47 0 0 0 64 64 Q5 PSEUD 0 0.0000 -1.1620 -1.2020 2.9290 0 0 0 0 0 65 H15 H_ALI 0 0.0000 -0.8650 -1.4060 0.3040 46 0 0 0 0 66 C12 C_BYL 0 0.0000 -2.2960 0.0240 0.9850 46 67 68 0 0 67 O2 O_BYL 0 0.0000 -2.4020 1.2160 1.1420 66 0 0 0 0 68 C8 C_ALI 0 0.0000 -3.5190 -0.8120 0.7090 66 69 70 72 0 69 H81 H_ALI 0 0.0000 -3.6330 -1.5600 1.4930 68 0 0 0 71 70 H82 H_ALI 0 0.0000 -3.4090 -1.3100 -0.2550 68 0 0 0 71 71 Q6 PSEUD 0 0.0000 -3.5210 -1.4350 0.6190 0 0 0 0 0 72 N2 N_AMI 0 0.0000 -4.7060 0.0530 0.6800 68 73 110 0 0 73 C6 C_ALI 0 0.0000 -5.8010 -0.7810 0.1730 72 74 95 109 0 74 C10 C_BYL 0 0.0000 -5.4610 -1.2640 -1.2140 73 75 76 0 0 75 O1 O_BYL 0 0.0000 -4.6240 -0.6820 -1.8710 74 0 0 0 0 76 N3 N_AMO 0 0.0000 -6.0870 -2.3440 -1.7230 74 77 94 0 0 77 C17 C_ALI 0 0.0000 -5.7570 -2.8130 -3.0710 76 78 83 88 0 78 C23 C_ALI 0 0.0000 -4.2730 -3.1830 -3.1330 77 79 80 81 0 79 H231 H_ALI 0 0.0000 -3.6700 -2.3060 -2.8960 78 0 0 0 82 80 H232 H_ALI 0 0.0000 -4.0650 -3.9730 -2.4120 78 0 0 0 82 81 H233 H_ALI 0 0.0000 -4.0280 -3.5320 -4.1360 78 0 0 0 82 82 Q7 PSEUD 0 0.0000 -3.9210 -3.2703 -3.1480 0 0 0 0 0 83 C22 C_ALI 0 0.0000 -6.0490 -1.7040 -4.0840 77 84 85 86 93 84 H221 H_ALI 0 0.0000 -5.8030 -2.0540 -5.0860 83 0 0 0 87 85 H222 H_ALI 0 0.0000 -7.1060 -1.4410 -4.0390 83 0 0 0 87 86 H223 H_ALI 0 0.0000 -5.4460 -0.8280 -3.8460 83 0 0 0 87 87 Q8 PSEUD 0 0.0000 -6.1183 -1.4410 -4.3237 0 0 0 0 0 88 C21 C_ALI 0 0.0000 -6.6030 -4.0440 -3.4040 77 89 90 91 93 89 H211 H_ALI 0 0.0000 -6.3950 -4.8340 -2.6830 88 0 0 0 92 90 H212 H_ALI 0 0.0000 -7.6600 -3.7810 -3.3600 88 0 0 0 92 91 H213 H_ALI 0 0.0000 -6.3570 -4.3930 -4.4070 88 0 0 0 92 92 Q9 PSEUD 0 0.0000 -6.8040 -4.3360 -3.4833 0 0 0 0 0 93 QQB PSEUD 0 0.0000 -3.3462 -1.0449 -2.4960 0 0 0 0 93 94 HN3 H_AMI 0 0.0000 -6.7560 -2.8090 -1.1980 76 0 0 0 0 95 C9 C_ALI 0 0.0000 -7.0950 0.0340 0.1240 73 96 106 107 0 96 C13 C_ALI 0 0.0000 -7.4470 0.4990 1.5390 95 97 105 114 0 97 C16 C_ALI 0 0.0000 -8.6870 1.3880 1.5050 96 98 102 103 0 98 C20 C_ALI 0 0.0000 -8.4110 2.6290 0.6520 97 99 100 120 0 99 H201 H_ALI 0 0.0000 -8.1600 2.3240 -0.3630 98 0 0 0 101 100 H202 H_ALI 0 0.0000 -9.2980 3.2620 0.6340 98 0 0 0 101 101 Q10 PSEUD 0 0.0000 -8.7290 2.7930 0.1355 0 0 0 0 0 102 H161 H_ALI 0 0.0000 -9.5200 0.8320 1.0760 97 0 0 0 104 103 H162 H_ALI 0 0.0000 -8.9410 1.6950 2.5190 97 0 0 0 104 104 Q11 PSEUD 0 0.0000 -9.2305 1.2635 1.7975 0 0 0 0 0 105 H13 H_ALI 0 0.0000 -7.6440 -0.3710 2.1660 96 0 0 0 0 106 H91 H_ALI 0 0.0000 -6.9550 0.9020 -0.5200 95 0 0 0 108 107 H92 H_ALI 0 0.0000 -7.9020 -0.5860 -0.2670 95 0 0 0 108 108 Q12 PSEUD 0 0.0000 -7.4285 0.1580 -0.3935 0 0 0 0 0 109 H6 H_ALI 0 0.0000 -5.9370 -1.6380 0.8320 73 0 0 0 0 110 C7 C_ALI 0 0.0000 -5.0270 0.3770 2.0780 72 111 112 114 0 111 H71 H_ALI 0 0.0000 -4.1810 0.9000 2.5250 110 0 0 0 113 112 H72 H_ALI 0 0.0000 -5.2280 -0.5360 2.6400 110 0 0 0 113 113 Q13 PSEUD 0 0.0000 -4.7045 0.1820 2.5825 0 0 0 0 0 114 C11 C_ALI 0 0.0000 -6.2640 1.2810 2.1150 96 110 115 116 0 115 H11 H_ALI 0 0.0000 -6.4720 1.5780 3.1440 114 0 0 0 0 116 C14 C_ALI 0 0.0000 -5.9950 2.5170 1.2710 114 117 118 120 0 117 H141 H_ALI 0 0.0000 -5.7530 2.2170 0.2510 116 0 0 0 119 118 H142 H_ALI 0 0.0000 -5.1580 3.0730 1.6930 116 0 0 0 119 119 Q14 PSEUD 0 0.0000 -5.4555 2.6450 0.9720 0 0 0 0 0 120 C18 C_ALI 0 0.0000 -7.2400 3.4060 1.2570 98 116 121 122 0 121 H181 H_ALI 0 0.0000 -7.0450 4.2950 0.6580 120 0 0 0 123 122 H182 H_ALI 0 0.0000 -7.4870 3.7010 2.2770 120 0 0 0 123 123 Q15 PSEUD 0 0.0000 -7.2660 3.9980 1.4675 0 0 0 0 0