REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE RESIDUE K21 13 76 1 76 1 CHI1 0 0 0.0000 4 5 10 11 56 2 CHI2 0 0 0.0000 5 10 11 12 55 3 CHI3 0 0 0.0000 10 11 12 13 52 4 CHI4 0 0 0.0000 11 12 13 14 49 5 CHI5 0 0 0.0000 12 13 14 15 21 6 CHI6 0 0 0.0000 13 14 15 16 18 7 CHI7 0 0 0.0000 12 13 22 23 49 8 CHI8 0 0 0.0000 13 22 23 24 46 9 CHI9 0 0 0.0000 22 23 24 25 43 10 CHI10 0 0 0.0000 23 24 25 26 42 11 CHI11 0 0 0.0000 24 25 26 27 37 12 PHI1 0 0 0.0000 2 1 71 72 0 13 PHI2 0 0 0.0000 1 71 72 75 0 1 C1 C_ARO 0 0.0000 1.3650 -1.5520 -5.1460 2 61 71 0 0 2 C2 C_ARO 0 0.0000 0.0730 -1.2460 -4.7460 1 3 60 0 0 3 C3 C_ARO 0 0.0000 -0.2780 0.0690 -4.5060 2 4 63 0 0 4 C10 C_ALI 0 0.0000 -1.6820 0.3970 -4.0550 3 5 57 58 0 5 N11 N_AMO 0 0.0000 -1.6460 0.7910 -2.6420 4 6 10 0 0 6 C12 C_ALI 0 0.0000 -1.4250 2.1730 -2.2540 5 7 8 65 0 7 H121 H_ALI 0 0.0000 -1.5770 2.2610 -1.1790 6 0 0 0 9 8 H122 H_ALI 0 0.0000 -2.1620 2.7980 -2.7590 6 0 0 0 9 9 Q1 PSEUD 0 0.0000 -1.8695 2.5295 -1.9690 0 0 0 0 0 10 C21 C_BYL 0 0.0000 -1.8210 -0.1450 -1.6890 5 11 56 0 0 11 C22 C_ALI 0 0.0000 -1.7850 0.2450 -0.2340 10 12 53 54 0 12 C24 C_ALI 0 0.0000 -2.0080 -0.9950 0.6330 11 13 50 51 0 13 N27 N_AMO 0 0.0000 -1.9740 -0.6130 2.0510 12 14 22 0 0 14 C30 C_ALI 0 0.0000 -2.1930 -1.8410 2.8230 13 15 19 20 0 15 C31 C_ALI 0 0.0000 -2.1630 -1.5240 4.3190 14 16 17 24 0 16 H311 H_ALI 0 0.0000 -2.9310 -0.7860 4.5500 15 0 0 0 18 17 H312 H_ALI 0 0.0000 -2.3500 -2.4350 4.8880 15 0 0 0 18 18 Q2 PSEUD 0 0.0000 -2.6405 -1.6105 4.7190 0 0 0 0 0 19 H301 H_ALI 0 0.0000 -3.1620 -2.2660 2.5610 14 0 0 0 21 20 H302 H_ALI 0 0.0000 -1.4090 -2.5610 2.5890 14 0 0 0 21 21 Q3 PSEUD 0 0.0000 -2.2855 -2.4135 2.5750 0 0 0 0 0 22 C34 C_ALI 0 0.0000 -0.6080 -0.1590 2.3320 13 23 47 48 0 23 C33 C_ALI 0 0.0000 -0.4910 0.2500 3.8020 22 24 44 45 0 24 C32 C_ALI 0 0.0000 -0.7870 -0.9630 4.6880 15 23 25 43 0 25 C43 C_ALI 0 0.0000 -0.7840 -0.5370 6.1570 24 26 40 41 0 26 C52 C_ARO 0 0.0000 0.5700 0.0140 6.5180 25 27 31 0 0 27 C45 C_ARO 0 0.0000 0.8300 1.3630 6.3660 26 28 30 0 0 28 C48 C_ARO 0 0.0000 2.0730 1.8690 6.6970 27 29 33 0 0 29 H48 H_ALI 0 0.0000 2.2760 2.9230 6.5780 28 0 0 0 38 30 H45 H_ALI 0 0.0000 0.0620 2.0220 5.9890 27 0 0 0 37 31 C51 C_ARO 0 0.0000 1.5520 -0.8270 7.0060 26 32 36 0 0 32 C50 C_ARO 0 0.0000 2.7960 -0.3220 7.3330 31 33 35 0 0 33 C49 C_ARO 0 0.0000 3.0560 1.0260 7.1800 28 32 34 0 0 34 H49 H_ALI 0 0.0000 4.0280 1.4220 7.4380 33 0 0 0 0 35 H50 H_ALI 0 0.0000 3.5640 -0.9810 7.7100 32 0 0 0 38 36 H51 H_ALI 0 0.0000 1.3490 -1.8810 7.1250 31 0 0 0 37 37 Q12 PSEUD 0 0.0000 0.7055 0.0705 6.5570 0 0 0 0 39 38 Q13 PSEUD 0 0.0000 2.9200 0.9710 7.1440 0 0 0 0 39 39 QQA PSEUD 0 0.0000 1.8128 0.5208 6.8505 0 0 0 0 0 40 H431 H_ALI 0 0.0000 -1.5420 0.2290 6.3150 25 0 0 0 42 41 H432 H_ALI 0 0.0000 -1.0040 -1.4000 6.7860 25 0 0 0 42 42 Q4 PSEUD 0 0.0000 -1.2730 -0.5855 6.5505 0 0 0 0 0 43 H32 H_ALI 0 0.0000 -0.0260 -1.7270 4.5270 24 0 0 0 0 44 H331 H_ALI 0 0.0000 -1.2090 1.0420 4.0170 23 0 0 0 46 45 H332 H_ALI 0 0.0000 0.5180 0.6090 4.0000 23 0 0 0 46 46 Q5 PSEUD 0 0.0000 -0.3455 0.8255 4.0085 0 0 0 0 0 47 H341 H_ALI 0 0.0000 0.0920 -0.9670 2.1240 22 0 0 0 49 48 H342 H_ALI 0 0.0000 -0.3720 0.6950 1.6980 22 0 0 0 49 49 Q6 PSEUD 0 0.0000 -0.1400 -0.1360 1.9110 0 0 0 0 0 50 H241 H_ALI 0 0.0000 -2.9790 -1.4320 0.3970 12 0 0 0 52 51 H242 H_ALI 0 0.0000 -1.2230 -1.7230 0.4330 12 0 0 0 52 52 Q7 PSEUD 0 0.0000 -2.1010 -1.5775 0.4150 0 0 0 0 0 53 H221 H_ALI 0 0.0000 -0.8150 0.6830 0.0010 11 0 0 0 55 54 H222 H_ALI 0 0.0000 -2.5710 0.9740 -0.0340 11 0 0 0 55 55 Q8 PSEUD 0 0.0000 -1.6930 0.8285 -0.0165 0 0 0 0 0 56 O23 O_BYL 0 0.0000 -2.0060 -1.3020 -2.0010 10 0 0 0 0 57 H101 H_ALI 0 0.0000 -2.3180 -0.4800 -4.1730 4 0 0 0 59 58 H102 H_ALI 0 0.0000 -2.0760 1.2180 -4.6530 4 0 0 0 59 59 Q9 PSEUD 0 0.0000 -2.1970 0.3690 -4.4130 0 0 0 0 0 60 H2 H_ALI 0 0.0000 -0.6550 -2.0330 -4.6190 2 0 0 0 0 61 C6 C_ARO 0 0.0000 2.3020 -0.5420 -5.3150 1 62 70 0 0 62 C5 C_ARO 0 0.0000 1.9470 0.7730 -5.0850 61 63 69 0 0 63 C4 C_ARO 0 0.0000 0.6530 1.0720 -4.6820 3 62 64 0 0 64 S14 S_RED 0 0.0000 0.1820 2.7540 -4.3940 63 65 0 0 0 65 C13 C_ALI 0 0.0000 -0.0350 2.6940 -2.5910 6 64 66 67 0 66 H131 H_ALI 0 0.0000 0.7140 2.0310 -2.1580 65 0 0 0 68 67 H132 H_ALI 0 0.0000 0.0860 3.6950 -2.1780 65 0 0 0 68 68 Q10 PSEUD 0 0.0000 0.4000 2.8630 -2.1680 0 0 0 0 0 69 H5 H_ALI 0 0.0000 2.6720 1.5630 -5.2170 62 0 0 0 0 70 H6 H_ALI 0 0.0000 3.3070 -0.7840 -5.6270 61 0 0 0 0 71 O58 O_EST 0 0.0000 1.7150 -2.8450 -5.3780 1 72 0 0 0 72 C59 C_ALI 0 0.0000 3.0870 -2.8380 -5.7760 71 73 74 75 0 73 H591 H_ALI 0 0.0000 3.4140 -3.8590 -5.9740 72 0 0 0 76 74 H592 H_ALI 0 0.0000 3.2010 -2.2380 -6.6790 72 0 0 0 76 75 H593 H_ALI 0 0.0000 3.6940 -2.4110 -4.9770 72 0 0 0 76 76 Q11 PSEUD 0 0.0000 3.4363 -2.8360 -5.8767 0 0 0 0 0