REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "3-THIAOCTANOYL-COENZYME A" RESIDUE CS8 42 121 1 121 1 PHI1 0 0 0.0000 2 1 3 58 0 2 CHI1 0 0 0.0000 1 3 4 5 56 3 CHI2 0 0 0.0000 3 4 6 7 56 4 CHI3 0 0 0.0000 4 6 7 8 55 5 CHI4 0 0 0.0000 6 7 8 9 52 6 CHI5 0 0 0.0000 7 8 9 10 49 7 CHI6 0 0 0.0000 8 9 11 12 49 8 CHI7 0 0 0.0000 9 11 12 13 48 9 CHI8 0 0 0.0000 11 12 13 14 45 10 CHI9 0 0 0.0000 12 13 14 15 42 11 CHI10 0 0 0.0000 13 14 15 16 42 12 CHI11 0 0 0.0000 14 15 17 18 42 13 CHI12 0 0 0.0000 15 17 18 19 39 14 CHI13 0 0 0.0000 17 18 19 20 39 15 CHI14 0 0 0.0000 18 19 20 21 36 16 CHI15 0 0 0.0000 19 20 21 22 33 17 CHI16 0 0 0.0000 20 21 22 23 30 18 CHI17 0 0 0.0000 21 22 23 24 27 19 PHI2 0 0 0.0000 1 3 58 70 0 20 CHI18 0 0 0.0000 3 58 59 60 63 21 CHI19 0 0 0.0000 3 58 64 65 68 22 PHI3 0 0 0.0000 3 58 70 74 0 23 PHI4 0 0 0.0000 58 70 74 75 0 24 PHI5 0 0 0.0000 70 74 75 79 0 25 CHI20 0 0 0.0000 74 75 77 78 78 26 PHI6 0 0 0.0000 74 75 79 80 0 27 PHI7 0 0 0.0000 75 79 80 84 0 28 CHI21 0 0 0.0000 79 80 82 83 83 29 PHI8 0 0 0.0000 79 80 84 85 0 30 PHI9 0 0 0.0000 80 84 85 89 0 31 PHI10 0 0 0.0000 84 85 89 113 0 32 CHI22 0 0 0.0000 85 89 90 91 111 33 CHI23 0 0 0.0000 89 90 91 92 111 34 CHI24 0 0 0.0000 90 91 92 93 106 35 CHI25 0 0 0.0000 97 98 99 100 102 36 CHI26 0 0 0.0000 90 91 107 108 110 37 CHI27 0 0 0.0000 91 107 108 109 109 38 PHI11 0 0 0.0000 85 89 113 115 0 39 PHI12 0 0 0.0000 89 113 115 116 0 40 PHI13 0 0 0.0000 113 115 116 120 0 41 CHI28 0 0 0.0000 115 116 118 119 119 42 PHI14 0 0 0.0000 115 116 120 121 0 1 OAP O_HYD 0 0.0000 3.5280 4.4920 5.2570 2 3 0 0 0 2 H10 H_OXY 0 0.0000 3.3340 5.1370 4.5600 1 0 0 0 0 3 CAP C_ALI 0 0.0000 4.1690 3.3880 4.6230 1 4 57 58 0 4 C9P C_BYL 0 0.0000 3.3770 3.1010 3.3500 3 5 6 0 0 5 O9P O_BYL 0 0.0000 2.8510 3.9950 2.6880 4 0 0 0 0 6 N8P N_AMO 0 0.0000 3.3480 1.7540 3.0280 4 7 56 0 0 7 C7P C_ALI 0 0.0000 2.6820 1.2390 1.8540 6 8 53 54 0 8 C6P C_ALI 0 0.0000 3.6530 1.2090 0.6820 7 9 50 51 0 9 C5P C_BYL 0 0.0000 4.8530 0.3180 0.9460 8 10 11 0 0 10 O5P O_BYL 0 0.0000 5.0130 -0.3030 1.9930 9 0 0 0 0 11 N4P N_AMO 0 0.0000 5.7250 0.3040 -0.1330 9 12 49 0 0 12 C3P C_ALI 0 0.0000 6.9490 -0.4630 -0.1430 11 13 46 47 0 13 C2P C_ALI 0 0.0000 8.1430 0.3140 0.3960 12 14 43 44 0 14 S1P S_RED 0 0.0000 9.6620 -0.6860 0.4140 13 15 0 0 0 15 C1' C_BYL 0 0.0000 10.7830 0.4650 1.1550 14 16 17 0 0 16 O1' O_BYL 0 0.0000 10.4410 1.5900 1.4960 15 0 0 0 0 17 C2' C_ALI 0 0.0000 12.1730 -0.1100 1.3020 15 18 40 41 0 18 S3' S_RED 0 0.0000 13.3050 1.0840 2.0560 17 19 0 0 0 19 C4' C_ALI 0 0.0000 14.8010 0.0680 2.0630 18 20 37 38 0 20 C5' C_ALI 0 0.0000 15.9820 0.8510 2.6300 19 21 34 35 0 21 C6' C_ALI 0 0.0000 17.2530 -0.0020 2.6320 20 22 31 32 0 22 C7' C_ALI 0 0.0000 18.4350 0.7610 3.2310 21 23 28 29 0 23 C8' C_ALI 0 0.0000 19.6910 -0.0940 3.2660 22 24 25 26 0 24 H8'1 H_ALI 0 0.0000 19.5380 -0.9920 3.8740 23 0 0 0 27 25 H8'2 H_ALI 0 0.0000 19.9800 -0.4070 2.2580 23 0 0 0 27 26 H8'3 H_ALI 0 0.0000 20.5220 0.4710 3.6980 23 0 0 0 27 27 Q1 PSEUD 0 0.0000 20.0133 -0.3093 3.2767 0 0 0 0 0 28 H7'1 H_ALI 0 0.0000 18.6310 1.6650 2.6430 22 0 0 0 30 29 H7'2 H_ALI 0 0.0000 18.1910 1.0850 4.2500 22 0 0 0 30 30 Q2 PSEUD 0 0.0000 18.4110 1.3750 3.4465 0 0 0 0 0 31 H6'1 H_ALI 0 0.0000 17.4940 -0.3050 1.6060 21 0 0 0 33 32 H6'2 H_ALI 0 0.0000 17.0790 -0.9190 3.2070 21 0 0 0 33 33 Q3 PSEUD 0 0.0000 17.2865 -0.6120 2.4065 0 0 0 0 0 34 H5'1 H_ALI 0 0.0000 16.1560 1.7550 2.0330 20 0 0 0 36 35 H5'2 H_ALI 0 0.0000 15.7630 1.1730 3.6560 20 0 0 0 36 36 Q4 PSEUD 0 0.0000 15.9595 1.4640 2.8445 0 0 0 0 0 37 H4'1 H_ALI 0 0.0000 14.6090 -0.8280 2.6610 19 0 0 0 39 38 H4'2 H_ALI 0 0.0000 15.0070 -0.2480 1.0350 19 0 0 0 39 39 Q5 PSEUD 0 0.0000 14.8080 -0.5380 1.8480 0 0 0 0 0 40 H2'1 H_ALI 0 0.0000 12.5650 -0.3810 0.3160 17 0 0 0 42 41 H2'2 H_ALI 0 0.0000 12.1370 -1.0000 1.9380 17 0 0 0 42 42 Q6 PSEUD 0 0.0000 12.3510 -0.6905 1.1270 0 0 0 0 0 43 H21 H_ALI 0 0.0000 8.3260 1.2120 -0.2020 13 0 0 0 45 44 H22 H_ALI 0 0.0000 7.9410 0.6270 1.4250 13 0 0 0 45 45 Q7 PSEUD 0 0.0000 8.1335 0.9195 0.6115 0 0 0 0 0 46 H31 H_ALI 0 0.0000 6.7720 -1.3400 0.4880 12 0 0 0 48 47 H32 H_ALI 0 0.0000 7.1190 -0.8160 -1.1650 12 0 0 0 48 48 Q8 PSEUD 0 0.0000 6.9455 -1.0780 -0.3385 0 0 0 0 0 49 HN4 H_AMI 0 0.0000 5.4930 0.8570 -0.9530 11 0 0 0 0 50 H61 H_ALI 0 0.0000 4.0150 2.2220 0.4680 8 0 0 0 52 51 H62 H_ALI 0 0.0000 3.1430 0.8440 -0.2190 8 0 0 0 52 52 Q9 PSEUD 0 0.0000 3.5790 1.5330 0.1245 0 0 0 0 0 53 H71 H_ALI 0 0.0000 2.3020 0.2330 2.0660 7 0 0 0 55 54 H72 H_ALI 0 0.0000 1.8180 1.8710 1.6220 7 0 0 0 55 55 Q10 PSEUD 0 0.0000 2.0600 1.0520 1.8440 0 0 0 0 0 56 HN8 H_AMI 0 0.0000 3.8350 1.0890 3.6210 6 0 0 0 0 57 H1 H_ALI 0 0.0000 4.0830 2.5310 5.3030 3 0 0 0 0 58 CBP C_ALI 0 0.0000 5.6710 3.7230 4.3820 3 59 64 70 0 59 CDP C_ALI 0 0.0000 6.3380 2.5150 3.6800 58 60 61 62 0 60 H131 H_ALI 0 0.0000 6.2010 1.5980 4.2640 59 0 0 0 63 61 H132 H_ALI 0 0.0000 7.4160 2.6650 3.5550 59 0 0 0 63 62 H133 H_ALI 0 0.0000 5.9130 2.3450 2.6840 59 0 0 0 63 63 Q11 PSEUD 0 0.0000 6.5100 2.2027 3.5010 0 0 0 0 69 64 CEP C_ALI 0 0.0000 6.4090 3.9480 5.7160 58 65 66 67 0 65 H141 H_ALI 0 0.0000 7.4910 4.0400 5.5670 64 0 0 0 68 66 H142 H_ALI 0 0.0000 6.2460 3.1090 6.4030 64 0 0 0 68 67 H143 H_ALI 0 0.0000 6.0750 4.8650 6.2130 64 0 0 0 68 68 Q12 PSEUD 0 0.0000 6.6040 4.0047 6.0610 0 0 0 0 69 69 QQA PSEUD 0 0.0000 6.5570 3.1037 4.7810 0 0 0 0 0 70 CCP C_ALI 0 0.0000 5.8270 4.9720 3.4800 58 71 72 74 0 71 H121 H_ALI 0 0.0000 5.3670 5.8510 3.9440 70 0 0 0 73 72 H122 H_ALI 0 0.0000 5.3590 4.8140 2.5030 70 0 0 0 73 73 Q13 PSEUD 0 0.0000 5.3630 5.3325 3.2235 0 0 0 0 0 74 O6A O_EST 0 0.0000 7.2010 5.2760 3.2610 70 75 0 0 0 75 P2A P_ALI 0 0.0000 7.5640 6.5520 2.3400 74 76 77 79 0 76 O4A O_XXX 0 0.0000 9.0250 6.8310 2.1390 75 0 0 0 0 77 O5A O_HYD 0 0.0000 6.7200 7.7690 2.9900 75 78 0 0 0 78 HO5 H_OXY 0 0.0000 6.8190 8.6700 2.6140 77 0 0 0 0 79 O3A O_EST 0 0.0000 6.7420 6.2020 0.9930 75 80 0 0 0 80 P1A P_ALI 0 0.0000 6.4980 7.0610 -0.3550 79 81 82 84 0 81 O1A O_XXX 0 0.0000 5.7980 8.3720 -0.1430 80 0 0 0 0 82 O2A O_HYD 0 0.0000 5.7110 6.0330 -1.3250 80 83 0 0 0 83 HO2 H_OXY 0 0.0000 4.7500 5.8940 -1.1890 82 0 0 0 0 84 O5B O_EST 0 0.0000 7.9830 7.1700 -0.9880 80 85 0 0 0 85 C5B C_ALI 0 0.0000 8.7380 5.9950 -1.2310 84 86 87 89 0 86 H11 H_ALI 0 0.0000 8.8750 5.4620 -0.2860 85 0 0 0 88 87 H12 H_ALI 0 0.0000 8.1830 5.3570 -1.9250 85 0 0 0 88 88 Q14 PSEUD 0 0.0000 8.5290 5.4095 -1.1055 0 0 0 0 0 89 C4B C_ALI 0 0.0000 10.0810 6.3840 -1.8230 85 90 112 113 0 90 O4B O_EST 0 0.0000 10.8120 7.1890 -0.8830 89 91 0 0 0 91 C1B C_ALI 0 0.0000 12.2220 6.9420 -1.0720 90 92 107 111 0 92 N9A N_AMO 0 0.0000 12.8380 6.6230 0.2160 91 93 96 0 0 93 C8A C_ARO 0 0.0000 12.2460 5.9440 1.2490 92 94 95 0 0 94 N7A N_AMO 0 0.0000 13.0510 5.8100 2.2830 93 97 0 0 0 95 H8 H_ALI 0 0.0000 11.2320 5.5740 1.1900 93 0 0 0 0 96 C4A C_ARO 0 0.0000 14.1040 6.9410 0.6220 92 97 103 0 0 97 C5A C_ARO 0 0.0000 14.2160 6.4280 1.9040 94 96 98 0 0 98 C6A C_ARO 0 0.0000 15.4310 6.6200 2.5550 97 99 105 0 0 99 N6A N_AMO 0 0.0000 15.6310 6.1340 3.8580 98 100 101 0 0 100 HN61 H_AMI 0 0.0000 15.1010 6.5200 4.6160 99 0 0 0 102 101 HN62 H_AMI 0 0.0000 16.3660 5.4740 4.0300 99 0 0 0 102 102 Q15 PSEUD 0 0.0000 15.7335 5.9970 4.3230 0 0 0 0 0 103 N3A N_AMO 0 0.0000 15.0410 7.6070 -0.0700 96 104 0 0 0 104 C2A C_ARO 0 0.0000 16.1700 7.7300 0.6610 103 105 106 0 0 105 N1A N_AMO 0 0.0000 16.4230 7.2840 1.9150 98 104 0 0 0 106 H2 H_ALI 0 0.0000 16.9860 8.2580 0.1790 104 0 0 0 0 107 C2B C_ALI 0 0.0000 12.3610 5.8280 -2.1110 91 108 110 113 0 108 O2B O_HYD 0 0.0000 12.6670 6.4040 -3.3800 107 109 0 0 0 109 H3 H_OXY 0 0.0000 12.6360 5.6870 -4.0380 108 0 0 0 0 110 H2' H_ALI 0 0.0000 13.1530 5.1080 -1.8890 107 0 0 0 0 111 H1' H_ALI 0 0.0000 12.6940 7.8770 -1.3920 91 0 0 0 0 112 H4' H_ALI 0 0.0000 9.9070 6.9820 -2.7250 89 0 0 0 0 113 C3B C_ALI 0 0.0000 10.9810 5.1960 -2.1140 89 107 114 115 0 114 H3' H_ALI 0 0.0000 10.9130 4.4610 -1.3030 113 0 0 0 0 115 O3B O_EST 0 0.0000 10.6530 4.5670 -3.3340 113 116 0 0 0 116 P3B P_ALI 0 0.0000 11.5930 3.3580 -3.8440 115 117 118 120 0 117 O7A O_XXX 0 0.0000 11.1830 2.7380 -5.1480 116 0 0 0 0 118 O8A O_HYD 0 0.0000 11.6410 2.3470 -2.5830 116 119 0 0 0 119 HO8 H_OXY 0 0.0000 12.1100 1.4910 -2.6790 118 0 0 0 0 120 O9A O_HYD 0 0.0000 13.0640 4.0290 -3.8400 116 121 0 0 0 121 HO9 H_OXY 0 0.0000 13.8190 3.5190 -4.2030 120 0 0 0 0