REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID" RESIDUE A527 17 74 1 74 1 CHI1 0 0 0.0000 2 3 6 7 14 2 CHI2 0 0 0.0000 3 6 7 8 14 3 CHI3 0 0 0.0000 6 7 8 9 11 4 CHI4 0 0 0.0000 7 8 10 11 11 5 CHI5 0 0 0.0000 1 2 15 16 18 6 CHI6 0 0 0.0000 2 15 17 18 18 7 PHI1 0 0 0.0000 1 19 20 27 0 8 PHI2 0 0 0.0000 23 29 33 35 0 9 PHI3 0 0 0.0000 29 33 35 45 0 10 CHI7 0 0 0.0000 33 35 36 37 43 11 CHI8 0 0 0.0000 35 36 37 38 40 12 PHI4 0 0 0.0000 33 35 45 49 0 13 PHI5 0 0 0.0000 35 45 49 53 0 14 PHI6 0 0 0.0000 45 49 53 54 0 15 PHI7 0 0 0.0000 49 53 54 57 0 16 PHI8 0 0 0.0000 53 54 57 61 0 17 PHI9 0 0 0.0000 54 57 61 70 0 1 S1 S_RED 0 0.0000 3.9220 0.2220 2.2990 2 19 0 0 0 2 C2 C_ARO 0 0.0000 5.5590 0.6980 1.7730 1 3 15 0 0 3 C3 C_ARO 0 0.0000 5.5940 0.2290 0.4610 2 4 6 0 0 4 C4 C_ARO 0 0.0000 4.4870 -0.4150 -0.0310 3 5 19 0 0 5 BR19 X_XXX 0 0.0000 4.4690 -1.0840 -1.8000 4 0 0 0 0 6 O20 O_EST 0 0.0000 6.6990 0.4000 -0.3090 3 7 0 0 0 7 C21 C_ALI 0 0.0000 6.5400 1.6460 -0.9890 6 8 12 13 0 8 C22 C_BYL 0 0.0000 7.7400 1.8970 -1.8660 7 9 10 0 0 9 O25 O_BYL 0 0.0000 8.6390 1.0910 -1.9050 8 0 0 0 0 10 O26 O_HYD 0 0.0000 7.8100 3.0160 -2.6040 8 11 0 0 0 11 HO26 H_OXY 0 0.0000 8.5790 3.1770 -3.1670 10 0 0 0 0 12 H211 H_ALI 0 0.0000 6.4500 2.4500 -0.2590 7 0 0 0 14 13 H212 H_ALI 0 0.0000 5.6410 1.6120 -1.6050 7 0 0 0 14 14 Q1 PSEUD 0 0.0000 6.0455 2.0310 -0.9320 0 0 0 0 0 15 C6 C_BYL 0 0.0000 6.5620 1.3820 2.4990 2 16 17 0 0 16 O7 O_BYL 0 0.0000 7.6330 1.6260 1.9760 15 0 0 0 0 17 O8 O_HYD 0 0.0000 6.3300 1.7650 3.7730 15 18 0 0 0 18 HO8 H_OXY 0 0.0000 7.1320 2.2100 4.0810 17 0 0 0 0 19 C5 C_ARO 0 0.0000 3.3840 -0.5660 0.7900 1 4 20 0 0 20 C9 C_ARO 0 0.0000 2.0890 -1.2130 0.4940 19 21 27 0 0 21 C14 C_ARO 0 0.0000 2.0510 -2.3950 -0.2490 20 22 26 0 0 22 C13 C_ARO 0 0.0000 0.8410 -2.9980 -0.5240 21 23 25 0 0 23 C12 C_ARO 0 0.0000 -0.3370 -2.4360 -0.0680 22 24 29 0 0 24 H12 H_ALI 0 0.0000 -1.2810 -2.9120 -0.2870 23 0 0 0 0 25 H13 H_ALI 0 0.0000 0.8130 -3.9120 -1.0990 22 0 0 0 31 26 H14 H_ALI 0 0.0000 2.9680 -2.8380 -0.6070 21 0 0 0 30 27 C10 C_ARO 0 0.0000 0.9020 -0.6490 0.9590 20 28 29 0 0 28 H10 H_ALI 0 0.0000 0.9250 0.2650 1.5340 27 0 0 0 30 29 C11 C_ARO 0 0.0000 -0.3100 -1.2590 0.6710 23 27 33 0 0 30 Q7 PSEUD 0 0.0000 1.9465 -1.2865 0.4635 0 0 0 0 32 31 Q8 PSEUD 0 0.0000 0.8130 -3.9120 -1.0990 0 0 0 0 32 32 QQA PSEUD 0 0.0000 1.3798 -2.5992 -0.3177 0 0 0 0 0 33 N29 N_AMI 0 0.0000 -1.5030 -0.6950 1.1300 29 34 35 0 0 34 HN29 H_AMI 0 0.0000 -1.4840 0.1260 1.6460 33 0 0 0 0 35 C30 C_ALI 0 0.0000 -2.7820 -1.3440 0.8320 33 36 44 45 0 36 C35 C_ALI 0 0.0000 -3.2710 -0.8970 -0.5470 35 37 41 42 0 37 C34 C_ALI 0 0.0000 -4.5910 -1.6030 -0.8700 36 38 39 53 0 38 H341 H_ALI 0 0.0000 -4.4190 -2.6760 -0.9610 37 0 0 0 40 39 H342 H_ALI 0 0.0000 -4.9940 -1.2160 -1.8060 37 0 0 0 40 40 Q2 PSEUD 0 0.0000 -4.7065 -1.9460 -1.3835 0 0 0 0 0 41 H351 H_ALI 0 0.0000 -3.4260 0.1820 -0.5460 36 0 0 0 43 42 H352 H_ALI 0 0.0000 -2.5260 -1.1570 -1.2990 36 0 0 0 43 43 Q3 PSEUD 0 0.0000 -2.9760 -0.4875 -0.9225 0 0 0 0 0 44 H30 H_ALI 0 0.0000 -2.6510 -2.4260 0.8380 35 0 0 0 0 45 C31 C_ALI 0 0.0000 -3.8130 -0.9490 1.8930 35 46 47 49 0 46 H311 H_ALI 0 0.0000 -3.4530 -1.2470 2.8780 45 0 0 0 48 47 H312 H_ALI 0 0.0000 -3.9630 0.1300 1.8710 45 0 0 0 48 48 Q4 PSEUD 0 0.0000 -3.7080 -0.5585 2.3745 0 0 0 0 0 49 C32 C_ALI 0 0.0000 -5.1390 -1.6570 1.5980 45 50 51 53 0 50 H321 H_ALI 0 0.0000 -5.0120 -2.7330 1.7090 49 0 0 0 52 51 H322 H_ALI 0 0.0000 -5.9030 -1.3040 2.2900 49 0 0 0 52 52 Q5 PSEUD 0 0.0000 -5.4575 -2.0185 1.9995 0 0 0 0 0 53 N33 N_AMI 0 0.0000 -5.5430 -1.3480 0.2190 37 49 54 0 0 54 S46 S_XXX 0 0.0000 -7.0430 -0.7230 -0.1000 53 55 56 57 0 55 O47 O_XXX 0 0.0000 -7.8210 -1.1970 0.9910 54 0 0 0 0 56 O48 O_XXX 0 0.0000 -7.2820 -1.1440 -1.4360 54 0 0 0 0 57 C49 C_ALI 0 0.0000 -6.7750 1.0680 -0.0020 54 58 59 61 0 58 H491 H_ALI 0 0.0000 -6.4190 1.3280 0.9950 57 0 0 0 60 59 H492 H_ALI 0 0.0000 -6.0330 1.3650 -0.7420 57 0 0 0 60 60 Q6 PSEUD 0 0.0000 -6.2260 1.3465 0.1265 0 0 0 0 0 61 C50 C_ARO 0 0.0000 -8.0720 1.7860 -0.2740 57 62 70 0 0 62 C53 C_ARO 0 0.0000 -8.9260 2.0900 0.7690 61 63 69 0 0 63 C54 C_ARO 0 0.0000 -10.1160 2.7480 0.5200 62 64 68 0 0 64 C55 C_ARO 0 0.0000 -10.4510 3.1030 -0.7740 63 65 67 0 0 65 C56 C_ARO 0 0.0000 -9.5960 2.8000 -1.8170 64 66 70 0 0 66 H56 H_ALI 0 0.0000 -9.8580 3.0770 -2.8280 65 0 0 0 73 67 H55 H_ALI 0 0.0000 -11.3800 3.6170 -0.9690 64 0 0 0 0 68 H54 H_ALI 0 0.0000 -10.7830 2.9850 1.3350 63 0 0 0 73 69 H53 H_ALI 0 0.0000 -8.6640 1.8120 1.7800 62 0 0 0 72 70 C57 C_ARO 0 0.0000 -8.4050 2.1450 -1.5670 61 65 71 0 0 71 H57 H_ALI 0 0.0000 -7.7370 1.9090 -2.3820 70 0 0 0 72 72 Q9 PSEUD 0 0.0000 -8.2005 1.8605 -0.3010 0 0 0 0 74 73 Q10 PSEUD 0 0.0000 -10.3205 3.0310 -0.7465 0 0 0 0 74 74 QQB PSEUD 0 0.0000 -9.2605 2.4457 -0.5238 0 0 0 0 0