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-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE" RESIDUE CS9 23 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 65 0 13 CHI10 0 0 0.0000 46 48 49 50 63 14 CHI11 0 0 0.0000 48 49 50 51 60 15 PHI4 0 0 0.0000 46 48 65 69 0 16 CHI12 0 0 0.0000 48 65 66 67 67 17 PHI5 0 0 0.0000 48 65 69 77 0 18 CHI13 0 0 0.0000 65 69 70 71 75 19 CHI14 0 0 0.0000 69 70 71 72 74 20 PHI6 0 0 0.0000 65 69 77 81 0 21 PHI7 0 0 0.0000 69 77 81 83 0 22 PHI8 0 0 0.0000 77 81 83 84 0 23 PHI9 0 0 0.0000 81 83 84 93 0 1 C1 C_ARO 0 0.0000 -4.7350 1.6000 -1.1520 2 34 35 0 0 2 C6 C_ARO 0 0.0000 -4.6160 0.6050 -0.1800 1 3 5 0 0 3 C5 C_ARO 0 0.0000 -3.3690 0.0440 0.0890 2 4 43 0 0 4 H5 H_ALI 0 0.0000 -3.2710 -0.7270 0.8400 3 0 0 0 0 5 C7 C_BYL 0 0.0000 -5.8100 0.1470 0.5620 2 6 33 0 0 6 N1 N_AMO 0 0.0000 -6.6610 1.0480 1.0910 5 7 20 0 0 7 C8 C_ALI 0 0.0000 -7.7630 0.6000 1.9460 6 8 17 18 0 8 C9 C_ALI 0 0.0000 -7.2970 0.5670 3.4030 7 9 14 15 0 9 C10 C_ALI 0 0.0000 -8.4480 0.0990 4.2970 8 10 11 12 0 10 H101 H_ALI 0 0.0000 -9.2860 0.7880 4.1990 9 0 0 0 13 11 H102 H_ALI 0 0.0000 -8.7610 -0.9000 3.9920 9 0 0 0 13 12 H103 H_ALI 0 0.0000 -8.1160 0.0750 5.3340 9 0 0 0 13 13 Q1 PSEUD 0 0.0000 -8.7210 -0.0123 4.5083 0 0 0 0 0 14 H91 H_ALI 0 0.0000 -6.4580 -0.1230 3.5010 8 0 0 0 16 15 H92 H_ALI 0 0.0000 -6.9840 1.5650 3.7070 8 0 0 0 16 16 Q2 PSEUD 0 0.0000 -6.7210 0.7210 3.6040 0 0 0 0 0 17 H81 H_ALI 0 0.0000 -8.6020 1.2890 1.8490 7 0 0 0 19 18 H82 H_ALI 0 0.0000 -8.0760 -0.3990 1.6420 7 0 0 0 19 19 Q3 PSEUD 0 0.0000 -8.3390 0.4450 1.7455 0 0 0 0 0 20 C11 C_ALI 0 0.0000 -6.4850 2.4750 0.8110 6 21 30 31 0 21 C12 C_ALI 0 0.0000 -7.4490 2.8990 -0.2990 20 22 27 28 0 22 C13 C_ALI 0 0.0000 -7.1640 4.3500 -0.6940 21 23 24 25 0 23 H131 H_ALI 0 0.0000 -7.8510 4.6520 -1.4850 22 0 0 0 26 24 H132 H_ALI 0 0.0000 -7.3010 4.9960 0.1730 22 0 0 0 26 25 H133 H_ALI 0 0.0000 -6.1380 4.4350 -1.0520 22 0 0 0 26 26 Q4 PSEUD 0 0.0000 -7.0967 4.6943 -0.7880 0 0 0 0 0 27 H121 H_ALI 0 0.0000 -7.3120 2.2530 -1.1660 21 0 0 0 29 28 H122 H_ALI 0 0.0000 -8.4750 2.8140 0.0580 21 0 0 0 29 29 Q5 PSEUD 0 0.0000 -7.8935 2.5335 -0.5540 0 0 0 0 0 30 H111 H_ALI 0 0.0000 -6.6930 3.0500 1.7120 20 0 0 0 32 31 H112 H_ALI 0 0.0000 -5.4590 2.6580 0.4910 20 0 0 0 32 32 Q6 PSEUD 0 0.0000 -6.0760 2.8540 1.1015 0 0 0 0 0 33 O1 O_BYL 0 0.0000 -6.0240 -1.0430 0.6950 5 0 0 0 0 34 H1 H_ALI 0 0.0000 -5.7000 2.0390 -1.3580 1 0 0 0 0 35 C2 C_ARO 0 0.0000 -3.6210 2.0300 -1.8450 1 36 41 0 0 36 C30 C_ALI 0 0.0000 -3.7570 3.1040 -2.8930 35 37 38 39 0 37 H301 H_ALI 0 0.0000 -3.6220 4.0820 -2.4310 36 0 0 0 40 38 H302 H_ALI 0 0.0000 -3.0000 2.9590 -3.6630 36 0 0 0 40 39 H303 H_ALI 0 0.0000 -4.7480 3.0490 -3.3430 36 0 0 0 40 40 Q7 PSEUD 0 0.0000 -3.7900 3.3633 -3.1457 0 0 0 0 0 41 C3 C_ARO 0 0.0000 -2.3820 1.4790 -1.5830 35 42 43 0 0 42 H3 H_ALI 0 0.0000 -1.5150 1.8190 -2.1290 41 0 0 0 0 43 C4 C_ARO 0 0.0000 -2.2490 0.4820 -0.6140 3 41 44 0 0 44 C14 C_BYL 0 0.0000 -0.9220 -0.1080 -0.3350 43 45 46 0 0 45 O2 O_BYL 0 0.0000 -0.8070 -0.9750 0.5090 44 0 0 0 0 46 N2 N_AMI 0 0.0000 0.1610 0.3160 -1.0170 44 47 48 0 0 47 HN2 H_AMI 0 0.0000 0.0690 1.0090 -1.6900 46 0 0 0 0 48 C15 C_ALI 0 0.0000 1.4750 -0.2680 -0.7400 46 49 64 65 0 49 C17 C_ALI 0 0.0000 1.6450 -1.5500 -1.5580 48 50 61 62 0 50 C19 C_ARO 0 0.0000 0.6470 -2.5780 -1.0920 49 51 55 0 0 51 C21 C_ARO 0 0.0000 0.9780 -3.4520 -0.0740 50 52 54 0 0 52 C22 C_ARO 0 0.0000 0.0610 -4.3970 0.3540 51 53 57 0 0 53 F2 X_XXX 0 0.0000 0.3860 -5.2510 1.3490 52 0 0 0 0 54 H21 H_ALI 0 0.0000 1.9530 -3.3970 0.3880 51 0 0 0 0 55 C25 C_ARO 0 0.0000 -0.6020 -2.6440 -1.6810 50 56 60 0 0 56 C24 C_ARO 0 0.0000 -1.5190 -3.5910 -1.2580 55 57 59 0 0 57 C23 C_ARO 0 0.0000 -1.1880 -4.4660 -0.2380 52 56 58 0 0 58 H23 H_ALI 0 0.0000 -1.9040 -5.2030 0.0950 57 0 0 0 0 59 F1 X_XXX 0 0.0000 -2.7380 -3.6580 -1.8370 56 0 0 0 0 60 H25 H_ALI 0 0.0000 -0.8620 -1.9580 -2.4740 55 0 0 0 0 61 H171 H_ALI 0 0.0000 1.4790 -1.3330 -2.6130 49 0 0 0 63 62 H172 H_ALI 0 0.0000 2.6550 -1.9370 -1.4210 49 0 0 0 63 63 Q8 PSEUD 0 0.0000 2.0670 -1.6350 -2.0170 0 0 0 0 0 64 H15 H_ALI 0 0.0000 1.5540 -0.5010 0.3220 48 0 0 0 0 65 C16 C_ALI 0 0.0000 2.5690 0.7310 -1.1260 48 66 68 69 0 66 O3 O_HYD 0 0.0000 2.5400 0.9470 -2.5380 65 67 0 0 0 67 HO3 H_OXY 0 0.0000 2.6870 0.1480 -3.0610 66 0 0 0 0 68 H16 H_ALI 0 0.0000 2.3960 1.6760 -0.6100 65 0 0 0 0 69 C27 C_ALI 0 0.0000 3.9350 0.1720 -0.7230 65 70 76 77 0 70 N3 N_AMO 0 0.0000 3.9980 -0.0260 0.7410 69 71 75 0 0 71 C18 C_ALI 0 0.0000 5.3560 0.3160 1.2030 70 72 73 81 0 72 H181 H_ALI 0 0.0000 5.8270 -0.5590 1.6500 71 0 0 0 74 73 H182 H_ALI 0 0.0000 5.3060 1.1260 1.9310 71 0 0 0 74 74 Q9 PSEUD 0 0.0000 5.5665 0.2835 1.7905 0 0 0 0 0 75 HN3 H_AMI 0 0.0000 3.7610 -0.9760 0.9880 70 0 0 0 0 76 H27 H_ALI 0 0.0000 4.1280 -0.7660 -1.2420 69 0 0 0 0 77 C20 C_ALI 0 0.0000 5.0500 1.2020 -1.0310 69 78 79 81 0 78 H201 H_ALI 0 0.0000 4.7130 2.2170 -0.8240 77 0 0 0 80 79 H202 H_ALI 0 0.0000 5.3940 1.1090 -2.0610 77 0 0 0 80 80 Q10 PSEUD 0 0.0000 5.0535 1.6630 -1.4425 0 0 0 0 0 81 C26 C_ALI 0 0.0000 6.1590 0.7710 -0.0340 71 77 82 83 0 82 H26 H_ALI 0 0.0000 6.7440 -0.0540 -0.4420 81 0 0 0 0 83 O4 O_EST 0 0.0000 7.0040 1.8760 0.2900 81 84 0 0 0 84 C31 C_ARO 0 0.0000 8.2550 1.5860 0.7370 83 85 93 0 0 85 C32 C_ARO 0 0.0000 8.6500 0.2650 0.8870 84 86 92 0 0 86 C33 C_ARO 0 0.0000 9.9210 -0.0270 1.3400 85 87 91 0 0 87 C34 C_ARO 0 0.0000 10.8000 0.9960 1.6450 86 88 90 0 0 88 C35 C_ARO 0 0.0000 10.4080 2.3140 1.4970 87 89 93 0 0 89 H35 H_ALI 0 0.0000 11.0960 3.1110 1.7370 88 0 0 0 96 90 H34 H_ALI 0 0.0000 11.7930 0.7660 2.0000 87 0 0 0 0 91 H33 H_ALI 0 0.0000 10.2290 -1.0560 1.4570 86 0 0 0 96 92 H32 H_ALI 0 0.0000 7.9640 -0.5350 0.6490 85 0 0 0 95 93 C36 C_ARO 0 0.0000 9.1400 2.6110 1.0380 84 88 94 0 0 94 H36 H_ALI 0 0.0000 8.8360 3.6410 0.9180 93 0 0 0 95 95 Q11 PSEUD 0 0.0000 8.4000 1.5530 0.7835 0 0 0 0 97 96 Q12 PSEUD 0 0.0000 10.6625 1.0275 1.5970 0 0 0 0 97 97 QQA PSEUD 0 0.0000 9.5313 1.2903 1.1902 0 0 0 0 0