REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE RESIDUE BV3 74 224 1 224 1 PHI1 0 0 0.0000 2 1 3 21 0 2 CHI1 0 0 0.0000 1 3 4 5 19 3 CHI2 0 0 0.0000 3 4 5 6 6 4 CHI3 0 0 0.0000 3 4 7 8 18 5 CHI4 0 0 0.0000 4 7 8 9 9 6 CHI5 0 0 0.0000 4 7 10 11 17 7 CHI6 0 0 0.0000 7 10 11 12 16 8 CHI7 0 0 0.0000 10 11 12 13 13 9 PHI2 0 0 0.0000 1 3 21 24 0 10 PHI3 0 0 0.0000 3 21 24 25 0 11 PHI4 0 0 0.0000 21 24 25 34 0 12 CHI8 0 0 0.0000 26 27 28 29 30 13 PHI5 0 0 0.0000 31 36 37 39 0 14 PHI6 0 0 0.0000 36 37 39 41 0 15 PHI7 0 0 0.0000 37 39 41 45 0 16 PHI8 0 0 0.0000 39 41 45 49 0 17 PHI9 0 0 0.0000 41 45 49 53 0 18 PHI10 0 0 0.0000 45 49 53 62 0 19 CHI9 0 0 0.0000 49 53 54 55 61 20 CHI10 0 0 0.0000 53 54 55 56 58 21 PHI11 0 0 0.0000 49 53 62 66 0 22 PHI12 0 0 0.0000 53 62 66 70 0 23 PHI13 0 0 0.0000 62 66 70 71 0 24 PHI14 0 0 0.0000 66 70 71 75 0 25 PHI15 0 0 0.0000 70 71 75 79 0 26 PHI16 0 0 0.0000 71 75 79 83 0 27 PHI17 0 0 0.0000 75 79 83 85 0 28 PHI18 0 0 0.0000 79 83 85 90 0 29 PHI19 0 0 0.0000 85 90 91 93 0 30 PHI20 0 0 0.0000 90 91 93 97 0 31 PHI21 0 0 0.0000 91 93 97 101 0 32 PHI22 0 0 0.0000 93 97 101 103 0 33 PHI23 0 0 0.0000 97 101 103 105 0 34 PHI24 0 0 0.0000 101 103 105 106 0 35 PHI25 0 0 0.0000 103 105 106 110 0 36 PHI26 0 0 0.0000 105 106 110 116 0 37 CHI11 0 0 0.0000 106 110 111 112 114 38 PHI27 0 0 0.0000 106 110 116 120 0 39 PHI28 0 0 0.0000 110 116 120 121 0 40 PHI29 0 0 0.0000 116 120 121 123 0 41 PHI30 0 0 0.0000 120 121 123 125 0 42 PHI31 0 0 0.0000 121 123 125 129 0 43 PHI32 0 0 0.0000 123 125 129 133 0 44 PHI33 0 0 0.0000 125 129 133 135 0 45 PHI34 0 0 0.0000 129 133 135 140 0 46 PHI35 0 0 0.0000 135 140 141 143 0 47 PHI36 0 0 0.0000 140 141 143 147 0 48 PHI37 0 0 0.0000 141 143 147 151 0 49 PHI38 0 0 0.0000 143 147 151 155 0 50 PHI39 0 0 0.0000 147 151 155 164 0 51 CHI12 0 0 0.0000 151 155 156 157 163 52 CHI13 0 0 0.0000 155 156 157 158 160 53 PHI40 0 0 0.0000 151 155 164 168 0 54 PHI41 0 0 0.0000 155 164 168 172 0 55 PHI42 0 0 0.0000 164 168 172 173 0 56 PHI43 0 0 0.0000 168 172 173 177 0 57 PHI44 0 0 0.0000 172 173 177 181 0 58 PHI45 0 0 0.0000 173 177 181 185 0 59 PHI46 0 0 0.0000 177 181 185 187 0 60 PHI47 0 0 0.0000 181 185 187 189 0 61 PHI48 0 0 0.0000 185 187 189 198 0 62 CHI14 0 0 0.0000 190 191 194 195 196 63 PHI49 0 0 0.0000 192 200 201 202 0 64 PHI50 0 0 0.0000 200 201 202 212 0 65 CHI15 0 0 0.0000 201 202 203 204 210 66 CHI16 0 0 0.0000 202 203 204 205 205 67 CHI17 0 0 0.0000 202 203 206 207 209 68 CHI18 0 0 0.0000 203 206 207 208 208 69 PHI51 0 0 0.0000 201 202 212 213 0 70 PHI52 0 0 0.0000 202 212 213 221 0 71 CHI19 0 0 0.0000 212 213 214 215 219 72 CHI20 0 0 0.0000 213 214 215 216 216 73 PHI53 0 0 0.0000 212 213 221 223 0 74 PHI54 0 0 0.0000 213 221 223 224 0 1 O24 O_HYD 0 0.0000 11.0800 -6.4730 -10.9120 2 3 0 0 0 2 H24 H_OXY 0 0.0000 10.4830 -6.6400 -11.6580 1 0 0 0 0 3 C60 C_ALI 0 0.0000 10.3360 -6.7380 -9.7270 1 4 20 21 0 4 C59 C_ALI 0 0.0000 11.2660 -7.2130 -8.6110 3 5 7 19 0 5 O23 O_HYD 0 0.0000 12.1590 -6.1580 -8.2640 4 6 0 0 0 6 H23 H_OXY 0 0.0000 12.2900 -5.6310 -9.0670 5 0 0 0 0 7 C58 C_ALI 0 0.0000 10.4500 -7.6340 -7.3860 4 8 10 18 0 8 O22 O_HYD 0 0.0000 9.8130 -6.4860 -6.8190 7 9 0 0 0 9 H22 H_OXY 0 0.0000 9.5050 -5.9500 -7.5640 8 0 0 0 0 10 C62 C_ALI 0 0.0000 9.3730 -8.6500 -7.7880 7 11 17 22 0 11 C63 C_ALI 0 0.0000 8.4540 -9.0130 -6.6260 10 12 14 15 0 12 O26 O_HYD 0 0.0000 7.4900 -9.9420 -7.0870 11 13 0 0 0 13 H26 H_OXY 0 0.0000 7.5320 -9.9390 -8.0580 12 0 0 0 0 14 H631 H_ALI 0 0.0000 7.9470 -8.1200 -6.2600 11 0 0 0 16 15 H632 H_ALI 0 0.0000 9.0320 -9.4640 -5.8200 11 0 0 0 16 16 Q1 PSEUD 0 0.0000 8.4895 -8.7920 -6.0400 0 0 0 0 0 17 H62 H_ALI 0 0.0000 9.8450 -9.5740 -8.1420 10 0 0 0 0 18 H58 H_ALI 0 0.0000 11.1090 -8.0430 -6.6120 7 0 0 0 0 19 H59 H_ALI 0 0.0000 11.8830 -8.0470 -8.9630 4 0 0 0 0 20 H60 H_ALI 0 0.0000 9.8580 -5.7970 -9.4290 3 0 0 0 0 21 C61 C_ALI 0 0.0000 9.2690 -7.7940 -10.0260 3 22 23 24 0 22 O25 O_EST 0 0.0000 8.5460 -8.1250 -8.8380 10 21 0 0 0 23 H61 H_ALI 0 0.0000 8.5540 -7.4020 -10.7570 21 0 0 0 0 24 O19 O_EST 0 0.0000 9.8680 -8.9440 -10.6210 21 25 0 0 0 25 C56 C_ARO 0 0.0000 9.0980 -9.6480 -11.5060 24 26 34 0 0 26 C55 C_ARO 0 0.0000 9.5220 -9.8000 -12.8230 25 27 33 0 0 27 C54 C_ARO 0 0.0000 8.7370 -10.5180 -13.7250 26 28 31 0 0 28 N15 N_AMO 0 0.0000 9.1650 -10.6760 -15.0700 27 29 30 0 0 29 O21 O_XXX 0 0.0000 8.4440 -11.3260 -15.8650 28 0 0 0 0 30 O20 O_XXX 0 0.0000 10.2530 -10.1620 -15.4250 28 0 0 0 0 31 C53 C_ARO 0 0.0000 7.5310 -11.0810 -13.3060 27 32 36 0 0 32 H53 H_ALI 0 0.0000 6.9170 -11.6410 -14.0070 31 0 0 0 0 33 H55 H_ALI 0 0.0000 10.4640 -9.3590 -13.1430 26 0 0 0 0 34 C57 C_ARO 0 0.0000 7.8960 -10.2070 -11.0830 25 35 36 0 0 35 H57 H_ALI 0 0.0000 7.5720 -10.0830 -10.0520 34 0 0 0 0 36 C52 C_ARO 0 0.0000 7.1100 -10.9250 -11.9850 31 34 37 0 0 37 C51 C_BYL 0 0.0000 5.8520 -11.5090 -11.5480 36 38 39 0 0 38 O18 O_BYL 0 0.0000 5.6760 -11.8070 -10.3530 37 0 0 0 0 39 N14 N_AMI 0 0.0000 4.8640 -11.6910 -12.5220 37 40 41 0 0 40 H14 H_AMI 0 0.0000 5.0370 -11.3730 -13.4700 39 0 0 0 0 41 C43 C_ALI 0 0.0000 3.5560 -12.2370 -12.2410 39 42 43 45 0 42 H431 H_ALI 0 0.0000 3.2310 -12.7650 -13.1440 41 0 0 0 44 43 H432 H_ALI 0 0.0000 3.6660 -12.9740 -11.4400 41 0 0 0 44 44 Q2 PSEUD 0 0.0000 3.4485 -12.8695 -12.2920 0 0 0 0 0 45 C42 C_ALI 0 0.0000 2.5370 -11.1600 -11.8750 41 46 47 49 0 46 H421 H_ALI 0 0.0000 2.4310 -10.4610 -12.7150 45 0 0 0 48 47 H422 H_ALI 0 0.0000 1.5610 -11.6370 -11.7280 45 0 0 0 48 48 Q3 PSEUD 0 0.0000 1.9960 -11.0490 -12.2215 0 0 0 0 0 49 C41 C_ALI 0 0.0000 2.9040 -10.3650 -10.6240 45 50 51 53 0 50 H411 H_ALI 0 0.0000 2.9880 -11.0130 -9.7470 49 0 0 0 52 51 H412 H_ALI 0 0.0000 3.8670 -9.8650 -10.7690 49 0 0 0 52 52 Q4 PSEUD 0 0.0000 3.4275 -10.4390 -10.2580 0 0 0 0 0 53 N13 N_AMI 0 0.0000 1.9270 -9.3210 -10.3160 49 54 62 0 0 54 C39 C_ALI 0 0.0000 2.3900 -8.4870 -9.2000 53 55 59 60 0 55 C40 C_ALI 0 0.0000 1.3660 -7.3940 -8.8760 54 56 57 70 0 56 H401 H_ALI 0 0.0000 1.7260 -6.8250 -8.0100 55 0 0 0 58 57 H402 H_ALI 0 0.0000 1.2910 -6.6930 -9.7190 55 0 0 0 58 58 Q5 PSEUD 0 0.0000 1.5085 -6.7590 -8.8645 0 0 0 0 0 59 H391 H_ALI 0 0.0000 3.3380 -8.0070 -9.4700 54 0 0 0 61 60 H392 H_ALI 0 0.0000 2.5750 -9.0990 -8.3070 54 0 0 0 61 61 Q6 PSEUD 0 0.0000 2.9565 -8.5530 -8.8885 0 0 0 0 0 62 C38 C_ALI 0 0.0000 0.6170 -9.9080 -10.0080 53 63 64 66 0 63 H381 H_ALI 0 0.0000 0.6930 -10.6080 -9.1650 62 0 0 0 65 64 H382 H_ALI 0 0.0000 0.2570 -10.4770 -10.8740 62 0 0 0 65 65 Q7 PSEUD 0 0.0000 0.4750 -10.5425 -10.0195 0 0 0 0 0 66 C37 C_ALI 0 0.0000 -0.4070 -8.8150 -9.6830 62 67 68 70 0 67 H371 H_ALI 0 0.0000 -0.5940 -8.2040 -10.5770 66 0 0 0 69 68 H372 H_ALI 0 0.0000 -1.3560 -9.2960 -9.4130 66 0 0 0 69 69 Q8 PSEUD 0 0.0000 -0.9750 -8.7500 -9.9950 0 0 0 0 0 70 N12 N_AMI 0 0.0000 0.0550 -7.9800 -8.5690 55 66 71 0 0 71 C36 C_ALI 0 0.0000 -0.9210 -6.9360 -8.2630 70 72 73 75 0 72 H361 H_ALI 0 0.0000 -1.0440 -6.3200 -9.1590 71 0 0 0 74 73 H362 H_ALI 0 0.0000 -0.4820 -6.3100 -7.4800 71 0 0 0 74 74 Q9 PSEUD 0 0.0000 -0.7630 -6.3150 -8.3195 0 0 0 0 0 75 C35 C_ALI 0 0.0000 -2.2560 -7.5030 -7.7860 71 76 77 79 0 76 H351 H_ALI 0 0.0000 -2.6960 -8.0930 -8.6000 75 0 0 0 78 77 H352 H_ALI 0 0.0000 -2.9470 -6.6770 -7.5770 75 0 0 0 78 78 Q10 PSEUD 0 0.0000 -2.8215 -7.3850 -8.0885 0 0 0 0 0 79 C34 C_ALI 0 0.0000 -2.1450 -8.3730 -6.5360 75 80 81 83 0 80 H341 H_ALI 0 0.0000 -3.1350 -8.7450 -6.2520 79 0 0 0 82 81 H342 H_ALI 0 0.0000 -1.7400 -7.8100 -5.6900 79 0 0 0 82 82 Q11 PSEUD 0 0.0000 -2.4375 -8.2775 -5.9710 0 0 0 0 0 83 N11 N_AMI 0 0.0000 -1.3100 -9.5250 -6.7380 79 84 85 0 0 84 H11 H_AMI 0 0.0000 -0.8770 -9.6880 -7.6510 83 0 0 0 0 85 C33 C_ARO 0 0.0000 -1.0600 -10.4160 -5.7780 83 86 90 0 0 86 C44 C_ARO 0 0.0000 -0.2370 -11.5980 -5.8890 85 87 88 0 0 87 O11 O_BYL 0 0.0000 0.4470 -12.2130 -6.6650 86 0 0 0 0 88 C45 C_ARO 0 0.0000 -0.5650 -11.8590 -4.4730 86 89 90 0 0 89 O12 O_BYL 0 0.0000 -0.2320 -12.7530 -3.7390 88 0 0 0 0 90 C32 C_ARO 0 0.0000 -1.3670 -10.6380 -4.4960 85 88 91 0 0 91 N10 N_AMI 0 0.0000 -2.0580 -10.1200 -3.5170 90 92 93 0 0 92 H10 H_AMI 0 0.0000 -2.0750 -10.5820 -2.6080 91 0 0 0 0 93 C31 C_ALI 0 0.0000 -2.8290 -8.8790 -3.6620 91 94 95 97 0 94 H311 H_ALI 0 0.0000 -2.1250 -8.0870 -3.9360 93 0 0 0 96 95 H312 H_ALI 0 0.0000 -3.5260 -9.0300 -4.4930 93 0 0 0 96 96 Q12 PSEUD 0 0.0000 -2.8255 -8.5585 -4.2145 0 0 0 0 0 97 C30 C_ALI 0 0.0000 -3.5940 -8.5280 -2.3970 93 98 99 101 0 98 H301 H_ALI 0 0.0000 -4.1570 -7.6000 -2.5400 97 0 0 0 100 99 H302 H_ALI 0 0.0000 -4.2970 -9.3210 -2.1230 97 0 0 0 100 100 Q13 PSEUD 0 0.0000 -4.2270 -8.4605 -2.3315 0 0 0 0 0 101 N9 N_AMI 0 0.0000 -2.7170 -8.3220 -1.2770 97 102 103 0 0 102 HN9 H_AMI 0 0.0000 -2.4840 -9.1260 -0.6970 101 0 0 0 0 103 C29 C_BYL 0 0.0000 -2.1710 -7.0970 -0.9390 101 104 105 0 0 104 O10 O_BYL 0 0.0000 -2.3580 -6.0440 -1.5390 103 0 0 0 0 105 O9 O_EST 0 0.0000 -1.3840 -7.2290 0.1700 103 106 0 0 0 106 C28 C_ALI 0 0.0000 -0.7510 -6.0300 0.6330 105 107 108 110 0 107 H281 H_ALI 0 0.0000 -0.1200 -5.6520 -0.1780 106 0 0 0 109 108 H282 H_ALI 0 0.0000 -1.5280 -5.2900 0.8520 106 0 0 0 109 109 Q14 PSEUD 0 0.0000 -0.8240 -5.4710 0.3370 0 0 0 0 0 110 C27 C_ALI 0 0.0000 0.0860 -6.3450 1.8710 106 111 115 116 0 111 N8 N_AMO 0 0.0000 -0.7570 -6.8930 2.9130 110 112 113 0 0 112 HN81 H_AMI 0 0.0000 -0.3500 -7.0860 3.8080 111 0 0 0 114 113 HN82 H_AMI 0 0.0000 -1.6580 -7.2530 2.6620 111 0 0 0 114 114 Q15 PSEUD 0 0.0000 -1.0040 -7.1695 3.2350 0 0 0 0 0 115 H27 H_ALI 0 0.0000 0.8140 -7.1330 1.6440 110 0 0 0 0 116 C26 C_ALI 0 0.0000 0.8070 -5.0970 2.3760 110 117 118 120 0 117 H261 H_ALI 0 0.0000 1.4110 -5.3130 3.2650 116 0 0 0 119 118 H262 H_ALI 0 0.0000 0.0890 -4.3060 2.6200 116 0 0 0 119 119 Q16 PSEUD 0 0.0000 0.7500 -4.8095 2.9425 0 0 0 0 0 120 O8 O_EST 0 0.0000 1.6660 -4.6010 1.3560 116 121 0 0 0 121 C25 C_BYL 0 0.0000 2.9450 -5.0920 1.3510 120 122 123 0 0 122 O7 O_BYL 0 0.0000 3.3730 -5.9120 2.1570 121 0 0 0 0 123 N7 N_AMI 0 0.0000 3.6630 -4.5310 0.3160 121 124 125 0 0 124 HN7 H_AMI 0 0.0000 3.1920 -3.8610 -0.2850 123 0 0 0 0 125 C24 C_ALI 0 0.0000 5.0460 -4.8410 0.0380 123 126 127 129 0 126 H241 H_ALI 0 0.0000 5.5210 -5.0770 0.9950 125 0 0 0 128 127 H242 H_ALI 0 0.0000 5.5120 -3.9360 -0.3660 125 0 0 0 128 128 Q17 PSEUD 0 0.0000 5.5165 -4.5065 0.3145 0 0 0 0 0 129 C23 C_ALI 0 0.0000 5.1860 -6.0110 -0.9210 125 130 131 133 0 130 H231 H_ALI 0 0.0000 4.7200 -6.9150 -0.5180 129 0 0 0 132 131 H232 H_ALI 0 0.0000 6.2440 -6.2180 -1.1100 129 0 0 0 132 132 Q18 PSEUD 0 0.0000 5.4820 -6.5665 -0.8140 0 0 0 0 0 133 N6 N_AMI 0 0.0000 4.5750 -5.7430 -2.1960 129 134 135 0 0 134 HN6 H_AMI 0 0.0000 4.0810 -4.8600 -2.3490 133 0 0 0 0 135 C22 C_ARO 0 0.0000 4.6170 -6.6030 -3.2130 133 136 140 0 0 136 C46 C_ARO 0 0.0000 4.0350 -6.4220 -4.5230 135 137 138 0 0 137 O13 O_BYL 0 0.0000 3.4000 -5.6410 -5.1830 136 0 0 0 0 138 C47 C_ARO 0 0.0000 4.5710 -7.7570 -4.8560 136 139 140 0 0 139 O14 O_BYL 0 0.0000 4.5070 -8.4010 -5.8700 138 0 0 0 0 140 C21 C_ARO 0 0.0000 5.1080 -7.8130 -3.4980 135 138 141 0 0 141 N5 N_AMI 0 0.0000 5.7930 -8.7820 -2.9520 140 142 143 0 0 142 HN5 H_AMI 0 0.0000 6.0040 -9.6210 -3.4920 141 0 0 0 0 143 C20 C_ALI 0 0.0000 6.2830 -8.7220 -1.5690 141 144 145 147 0 144 H201 H_ALI 0 0.0000 6.9460 -7.8530 -1.5050 143 0 0 0 146 145 H202 H_ALI 0 0.0000 5.4240 -8.5410 -0.9170 143 0 0 0 146 146 Q19 PSEUD 0 0.0000 6.1850 -8.1970 -1.2110 0 0 0 0 0 147 C19 C_ALI 0 0.0000 7.0400 -9.9840 -1.1610 143 148 149 151 0 148 H191 H_ALI 0 0.0000 7.3720 -9.8860 -0.1200 147 0 0 0 150 149 H192 H_ALI 0 0.0000 6.3480 -10.8340 -1.1990 147 0 0 0 150 150 Q20 PSEUD 0 0.0000 6.8600 -10.3600 -0.6595 0 0 0 0 0 151 C18 C_ALI 0 0.0000 8.2570 -10.2830 -2.0340 147 152 153 155 0 152 H181 H_ALI 0 0.0000 8.7690 -11.1940 -1.7080 151 0 0 0 154 153 H182 H_ALI 0 0.0000 7.9430 -10.4250 -3.0730 151 0 0 0 154 154 Q21 PSEUD 0 0.0000 8.3560 -10.8095 -2.3905 0 0 0 0 0 155 N4 N_AMI 0 0.0000 9.2320 -9.1950 -2.0300 151 156 164 0 0 156 C16 C_ALI 0 0.0000 10.3080 -9.4560 -2.9940 155 157 161 162 0 157 C17 C_ALI 0 0.0000 11.3330 -8.3160 -2.9880 156 158 159 172 0 158 H171 H_ALI 0 0.0000 12.1410 -8.5720 -3.6840 157 0 0 0 160 159 H172 H_ALI 0 0.0000 10.8650 -7.3930 -3.3560 157 0 0 0 160 160 Q22 PSEUD 0 0.0000 11.5030 -7.9825 -3.5200 0 0 0 0 0 161 H161 H_ALI 0 0.0000 9.8850 -9.5380 -4.0020 156 0 0 0 163 162 H162 H_ALI 0 0.0000 10.8090 -10.4070 -2.7700 156 0 0 0 163 163 Q23 PSEUD 0 0.0000 10.3470 -9.9725 -3.3860 0 0 0 0 0 164 C15 C_ALI 0 0.0000 9.7850 -8.9960 -0.6850 155 165 166 168 0 165 H151 H_ALI 0 0.0000 10.2530 -9.9190 -0.3160 164 0 0 0 167 166 H152 H_ALI 0 0.0000 8.9770 -8.7400 0.0110 164 0 0 0 167 167 Q24 PSEUD 0 0.0000 9.6150 -9.3295 -0.1525 0 0 0 0 0 168 C14 C_ALI 0 0.0000 10.8110 -7.8570 -0.6790 164 169 170 172 0 169 H141 H_ALI 0 0.0000 10.3110 -6.9060 -0.9040 168 0 0 0 171 170 H142 H_ALI 0 0.0000 11.2340 -7.7740 0.3290 168 0 0 0 171 171 Q25 PSEUD 0 0.0000 10.7725 -7.3400 -0.2875 0 0 0 0 0 172 N3 N_AMI 0 0.0000 11.8870 -8.1190 -1.6430 157 168 173 0 0 173 C13 C_ALI 0 0.0000 12.8640 -7.0320 -1.6390 172 174 175 177 0 174 H131 H_ALI 0 0.0000 12.3410 -6.1110 -1.9120 173 0 0 0 176 175 H132 H_ALI 0 0.0000 13.5910 -7.2550 -2.4260 173 0 0 0 176 176 Q26 PSEUD 0 0.0000 12.9660 -6.6830 -2.1690 0 0 0 0 0 177 C12 C_ALI 0 0.0000 13.5790 -6.8920 -0.2960 173 178 179 181 0 178 H121 H_ALI 0 0.0000 12.8380 -6.6300 0.4690 177 0 0 0 180 179 H122 H_ALI 0 0.0000 14.2940 -6.0610 -0.3510 177 0 0 0 180 180 Q27 PSEUD 0 0.0000 13.5660 -6.3455 0.0590 0 0 0 0 0 181 C11 C_ALI 0 0.0000 14.3280 -8.1500 0.1370 177 182 183 185 0 182 H111 H_ALI 0 0.0000 13.6280 -8.9860 0.2330 181 0 0 0 184 183 H112 H_ALI 0 0.0000 14.8220 -8.0100 1.1040 181 0 0 0 184 184 Q28 PSEUD 0 0.0000 14.2250 -8.4980 0.6685 0 0 0 0 0 185 N2 N_AMI 0 0.0000 15.3300 -8.5510 -0.8130 181 186 187 0 0 186 HN2 H_AMI 0 0.0000 15.0320 -9.1420 -1.5870 185 0 0 0 0 187 C10 C_BYL 0 0.0000 16.6430 -8.0990 -0.7560 185 188 189 0 0 188 O6 O_BYL 0 0.0000 17.0780 -7.3270 0.0940 187 0 0 0 0 189 C6 C_ARO 0 0.0000 17.5500 -8.5860 -1.8270 187 190 198 0 0 190 C7 C_ARO 0 0.0000 18.6330 -7.8110 -2.1860 189 191 197 0 0 191 C8 C_ARO 0 0.0000 19.4850 -8.2700 -3.1910 190 192 194 0 0 192 C9 C_ARO 0 0.0000 19.2350 -9.4930 -3.8140 191 193 200 0 0 193 H9 H_ALI 0 0.0000 19.8950 -9.8560 -4.5980 192 0 0 0 0 194 N1 N_AMO 0 0.0000 20.6080 -7.4920 -3.5800 191 195 196 0 0 195 O4 O_XXX 0 0.0000 20.8150 -6.3950 -3.0070 194 0 0 0 0 196 O5 O_XXX 0 0.0000 21.3620 -7.9230 -4.4850 194 0 0 0 0 197 H7 H_ALI 0 0.0000 18.8270 -6.8580 -1.6990 190 0 0 0 0 198 C5 C_ARO 0 0.0000 17.2800 -9.7990 -2.4270 189 199 200 0 0 199 H5 H_ALI 0 0.0000 16.4220 -10.3980 -2.1320 198 0 0 0 0 200 C4 C_ARO 0 0.0000 18.1330 -10.2570 -3.4320 192 198 201 0 0 201 O3 O_EST 0 0.0000 17.8880 -11.4500 -4.0400 200 202 0 0 0 202 C3 C_ALI 0 0.0000 16.6420 -11.5880 -4.7210 201 203 211 212 0 203 C48 C_ALI 0 0.0000 16.5560 -13.0000 -5.3060 202 204 206 210 0 204 O15 O_HYD 0 0.0000 17.6840 -13.2330 -6.1530 203 205 0 0 0 205 H15 H_OXY 0 0.0000 17.4410 -12.8960 -7.0280 204 0 0 0 0 206 C49 C_ALI 0 0.0000 15.2540 -13.1490 -6.0960 203 207 209 221 0 207 O16 O_HYD 0 0.0000 15.1970 -14.4120 -6.7470 206 208 0 0 0 208 H16 H_OXY 0 0.0000 14.8840 -14.2470 -7.6510 207 0 0 0 0 209 H49 H_ALI 0 0.0000 14.4110 -13.1080 -5.3950 206 0 0 0 0 210 H48 H_ALI 0 0.0000 16.6170 -13.7540 -4.5140 203 0 0 0 0 211 H3 H_ALI 0 0.0000 15.8430 -11.4410 -3.9830 202 0 0 0 0 212 O2 O_EST 0 0.0000 16.5130 -10.5980 -5.7460 202 213 0 0 0 213 C2 C_ALI 0 0.0000 15.2530 -10.6610 -6.4290 212 214 220 221 0 214 C1 C_ALI 0 0.0000 15.2070 -9.4890 -7.4020 213 215 217 218 0 215 O1 O_HYD 0 0.0000 15.3640 -8.2860 -6.6700 214 216 0 0 0 216 HO1 H_OXY 0 0.0000 15.4780 -7.5710 -7.3180 215 0 0 0 0 217 H11A H_ALI 0 0.0000 14.2470 -9.4710 -7.9210 214 0 0 0 219 218 H12 H_ALI 0 0.0000 16.0150 -9.5750 -8.1300 214 0 0 0 219 219 Q29 PSEUD 0 0.0000 15.1310 -9.5230 -8.0255 0 0 0 0 0 220 H2 H_ALI 0 0.0000 14.4540 -10.5220 -5.6900 213 0 0 0 0 221 C50 C_ALI 0 0.0000 15.0790 -12.0220 -7.1200 206 213 222 223 0 222 H50 H_ALI 0 0.0000 14.0910 -12.1020 -7.5880 221 0 0 0 0 223 O17 O_HYD 0 0.0000 16.0430 -12.1780 -8.1620 221 224 0 0 0 224 H17 H_OXY 0 0.0000 15.6420 -11.8100 -8.9630 223 0 0 0 0