REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "ECTEINASCIDIN 743" RESIDUE ECT 14 109 1 109 1 CHI1 0 0 0.0000 16 19 20 21 24 2 CHI2 0 0 0.0000 8 18 25 26 32 3 CHI3 0 0 0.0000 18 25 26 27 32 4 CHI4 0 0 0.0000 25 26 28 29 32 5 CHI5 0 0 0.0000 33 34 35 36 40 6 CHI6 0 0 0.0000 34 35 36 37 40 7 CHI7 0 0 0.0000 41 42 43 44 44 8 CHI8 0 0 0.0000 42 45 46 47 51 9 CHI9 0 0 0.0000 45 46 47 48 51 10 CHI10 0 0 0.0000 45 54 55 56 59 11 CHI11 0 0 0.0000 68 69 70 71 75 12 CHI12 0 0 0.0000 69 70 71 72 75 13 CHI13 0 0 0.0000 69 79 80 81 81 14 CHI14 0 0 0.0000 99 100 101 102 102 1 C1 C_ALI 0 0.0000 8.3600 -1.2780 -0.0260 2 94 95 97 0 2 O27 O_EST 0 0.0000 7.3930 -0.5100 -0.7660 1 3 0 0 0 3 C25 C_BYL 0 0.0000 6.0670 -0.7280 -0.5120 2 4 93 0 0 4 C24 C_ALI 0 0.0000 5.1940 -0.1490 -1.6450 3 5 67 83 0 5 C23 C_ALI 0 0.0000 5.3280 -1.0400 -2.9260 4 6 64 65 0 6 S S_RED 0 0.0000 6.9790 -1.0310 -3.7340 5 7 0 0 0 7 C20 C_ALI 0 0.0000 7.6770 -2.7410 -3.5420 6 8 33 63 0 8 C19 C_ARO 0 0.0000 7.0800 -3.5520 -2.4130 7 9 18 0 0 9 C3 C_ARO 0 0.0000 7.6400 -3.4410 -1.1260 8 10 97 0 0 10 C4 C_ARO 0 0.0000 7.0860 -4.2320 -0.1280 9 11 16 0 0 11 O5 O_EST 0 0.0000 7.4810 -4.2730 1.1770 10 12 0 0 0 12 C6 C_ALI 0 0.0000 6.5580 -5.2340 1.7230 11 13 14 17 0 13 H61 H_ALI 0 0.0000 7.1300 -6.0630 2.1560 12 0 0 0 15 14 H62 H_ALI 0 0.0000 5.9790 -4.7520 2.5190 12 0 0 0 15 15 Q1 PSEUD 0 0.0000 6.5545 -5.4075 2.3375 0 0 0 0 0 16 C8 C_ARO 0 0.0000 6.0370 -5.0910 -0.3710 10 17 19 0 0 17 O7 O_EST 0 0.0000 5.6450 -5.7660 0.7440 12 16 0 0 0 18 C14 C_ARO 0 0.0000 6.0190 -4.4540 -2.6560 8 19 25 0 0 19 C9 C_ARO 0 0.0000 5.4830 -5.2270 -1.6260 16 18 20 0 0 20 C10 C_ALI 0 0.0000 4.3540 -6.1680 -1.8650 19 21 22 23 0 21 H11 H_ALI 0 0.0000 4.3650 -6.9770 -1.1230 20 0 0 0 24 22 H12 H_ALI 0 0.0000 3.3850 -5.6550 -1.8030 20 0 0 0 24 23 H13 H_ALI 0 0.0000 4.4110 -6.6160 -2.8660 20 0 0 0 24 24 Q2 PSEUD 0 0.0000 4.0537 -6.4160 -1.9307 0 0 0 0 0 25 O15 O_EST 0 0.0000 5.4940 -4.5730 -3.9130 18 26 0 0 0 26 C16 C_BYL 0 0.0000 6.1230 -5.5480 -4.7010 25 27 28 0 0 27 O17 O_BYL 0 0.0000 7.0600 -6.2560 -4.3570 26 0 0 0 0 28 C18 C_ALI 0 0.0000 5.4780 -5.6010 -6.0540 26 29 30 31 0 29 H181 H_ALI 0 0.0000 4.4210 -5.8610 -5.9510 28 0 0 0 32 30 H182 H_ALI 0 0.0000 5.9680 -6.3700 -6.6590 28 0 0 0 32 31 H183 H_ALI 0 0.0000 5.5920 -4.6370 -6.5570 28 0 0 0 32 32 Q3 PSEUD 0 0.0000 5.3270 -5.6227 -6.3890 0 0 0 0 0 33 C21 C_ALI 0 0.0000 9.2280 -2.7650 -3.3080 7 34 62 99 0 34 C44 C_ALI 0 0.0000 10.1310 -2.3710 -4.5390 33 35 41 61 0 35 N42 N_AMO 0 0.0000 11.5380 -2.5430 -4.1090 34 36 104 0 0 36 C43 C_ALI 0 0.0000 12.5030 -2.5290 -5.2030 35 37 38 39 0 37 H431 H_ALI 0 0.0000 13.4550 -2.1170 -4.8590 36 0 0 0 40 38 H432 H_ALI 0 0.0000 12.1310 -1.9140 -6.0280 36 0 0 0 40 39 H433 H_ALI 0 0.0000 12.6720 -3.5440 -5.5720 36 0 0 0 40 40 Q4 PSEUD 0 0.0000 12.7527 -2.5250 -5.4863 0 0 0 0 0 41 C45 C_ARO 0 0.0000 9.9120 -0.9870 -5.1130 34 42 52 0 0 42 C46 C_ARO 0 0.0000 9.1010 -0.7910 -6.2410 41 43 45 0 0 43 O47 O_HYD 0 0.0000 8.5000 -1.8500 -6.8590 42 44 0 0 0 44 H47 H_OXY 0 0.0000 8.2080 -2.4970 -6.2000 43 0 0 0 0 45 C47 C_ARO 0 0.0000 8.8860 0.4930 -6.7400 42 46 54 0 0 46 O48 O_EST 0 0.0000 8.0790 0.6740 -7.8250 45 47 0 0 0 47 C49 C_ALI 0 0.0000 8.7010 0.6360 -9.1060 46 48 49 50 0 48 H491 H_ALI 0 0.0000 9.5390 1.3370 -9.1270 47 0 0 0 51 49 H492 H_ALI 0 0.0000 7.9710 0.9020 -9.8750 47 0 0 0 51 50 H493 H_ALI 0 0.0000 9.0710 -0.3750 -9.2920 47 0 0 0 51 51 Q5 PSEUD 0 0.0000 8.8603 0.6213 -9.4313 0 0 0 0 0 52 C53 C_ARO 0 0.0000 10.5620 0.1130 -4.5290 41 53 106 0 0 53 C52 C_ARO 0 0.0000 10.3310 1.4010 -5.0320 52 54 60 0 0 54 C50 C_ARO 0 0.0000 9.4890 1.5890 -6.1270 45 53 55 0 0 55 C51 C_ALI 0 0.0000 9.2650 2.9730 -6.6430 54 56 57 58 0 56 H511 H_ALI 0 0.0000 8.2180 3.1010 -6.9420 55 0 0 0 59 57 H512 H_ALI 0 0.0000 9.5050 3.7240 -5.8810 55 0 0 0 59 58 H513 H_ALI 0 0.0000 9.9040 3.1810 -7.5100 55 0 0 0 59 59 Q6 PSEUD 0 0.0000 9.2090 3.3353 -6.7777 0 0 0 0 0 60 H52 H_ALI 0 0.0000 10.8330 2.2600 -4.5960 53 0 0 0 0 61 H44 H_ALI 0 0.0000 9.9320 -3.1090 -5.3290 34 0 0 0 0 62 H21 H_ALI 0 0.0000 9.4920 -3.8240 -3.1330 33 0 0 0 0 63 H20 H_ALI 0 0.0000 7.4740 -3.2610 -4.4870 7 0 0 0 0 64 H231 H_ALI 0 0.0000 5.0100 -2.0630 -2.7410 5 0 0 0 66 65 H232 H_ALI 0 0.0000 4.6370 -0.6590 -3.6910 5 0 0 0 66 66 Q7 PSEUD 0 0.0000 4.8235 -1.3610 -3.2160 0 0 0 0 0 67 C28 C_ARO 0 0.0000 3.7190 -0.1060 -1.1940 4 68 77 0 0 68 C29 C_ARO 0 0.0000 2.9570 -1.2840 -1.0760 67 69 76 0 0 69 C30 C_ARO 0 0.0000 1.6280 -1.2460 -0.6500 68 70 79 0 0 70 O31 O_EST 0 0.0000 0.9240 -2.4080 -0.5530 69 71 0 0 0 71 C32 C_ALI 0 0.0000 0.9730 -3.0930 0.6970 70 72 73 74 0 72 H321 H_ALI 0 0.0000 1.8130 -2.7170 1.2860 71 0 0 0 75 73 H322 H_ALI 0 0.0000 1.0890 -4.1660 0.5210 71 0 0 0 75 74 H323 H_ALI 0 0.0000 0.0420 -2.9130 1.2380 71 0 0 0 75 75 Q8 PSEUD 0 0.0000 0.9813 -3.2653 1.0150 0 0 0 0 0 76 H29 H_ALI 0 0.0000 3.3900 -2.2560 -1.2950 68 0 0 0 0 77 C36 C_ARO 0 0.0000 3.1140 1.1170 -0.8360 67 78 85 0 0 78 C35 C_ARO 0 0.0000 1.7730 1.1450 -0.4210 77 79 82 0 0 79 C33 C_ARO 0 0.0000 1.0350 -0.0310 -0.3280 69 78 80 0 0 80 O34 O_HYD 0 0.0000 -0.2620 0.0210 0.0840 79 81 0 0 0 81 H34 H_OXY 0 0.0000 -0.4850 0.9180 0.3780 80 0 0 0 0 82 H35 H_ALI 0 0.0000 1.2970 2.0880 -0.1650 78 0 0 0 0 83 N39 N_AMO 0 0.0000 5.7010 1.2020 -1.9800 4 84 92 0 0 84 C38 C_ALI 0 0.0000 5.3770 2.2040 -0.9730 83 85 89 90 0 85 C37 C_ALI 0 0.0000 3.8700 2.4150 -0.9400 77 84 86 87 0 86 H371 H_ALI 0 0.0000 3.5440 2.9310 -1.8530 85 0 0 0 88 87 H372 H_ALI 0 0.0000 3.6240 3.0600 -0.0880 85 0 0 0 88 88 Q9 PSEUD 0 0.0000 3.5840 2.9955 -0.9705 0 0 0 0 0 89 H381 H_ALI 0 0.0000 5.8740 3.1470 -1.2260 84 0 0 0 91 90 H382 H_ALI 0 0.0000 5.7550 1.9080 0.0130 84 0 0 0 91 91 Q10 PSEUD 0 0.0000 5.8145 2.5275 -0.6065 0 0 0 0 0 92 H39 H_AMI 0 0.0000 5.3180 1.4940 -2.8800 83 0 0 0 0 93 O26 O_BYL 0 0.0000 5.6300 -1.3510 0.4480 3 0 0 0 0 94 H11A H_ALI 0 0.0000 7.9610 -1.5750 0.9510 1 0 0 0 96 95 H12A H_ALI 0 0.0000 9.2080 -0.6160 0.1780 1 0 0 0 96 96 Q11 PSEUD 0 0.0000 8.5845 -1.0955 0.5645 0 0 0 0 0 97 C2 C_ALI 0 0.0000 8.8080 -2.5060 -0.8530 1 9 98 99 0 98 H2 H_ALI 0 0.0000 9.4880 -3.0880 -0.2170 97 0 0 0 0 99 N22 N_AMI 0 0.0000 9.5600 -2.0430 -2.0580 33 97 100 0 0 100 C40 C_ALI 0 0.0000 11.0120 -1.9840 -1.8040 99 101 103 104 0 101 O40 O_HYD 0 0.0000 11.5640 -3.2190 -1.3180 100 102 0 0 0 102 H42 H_OXY 0 0.0000 11.3840 -3.2340 -0.3690 101 0 0 0 0 103 H40 H_ALI 0 0.0000 11.1970 -1.2480 -1.0120 100 0 0 0 0 104 C41 C_ALI 0 0.0000 11.8390 -1.5710 -3.0440 35 100 105 106 0 105 H41 H_ALI 0 0.0000 12.8960 -1.6790 -2.7620 104 0 0 0 0 106 C54 C_ALI 0 0.0000 11.5940 -0.0960 -3.4490 52 104 107 108 0 107 H541 H_ALI 0 0.0000 12.5420 0.2970 -3.8420 106 0 0 0 109 108 H542 H_ALI 0 0.0000 11.3310 0.5070 -2.5720 106 0 0 0 109 109 Q12 PSEUD 0 0.0000 11.9365 0.4020 -3.2070 0 0 0 0 0