REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE RESIDUE BV4 96 294 1 294 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 97 101 105 0 33 PHI23 0 0 0.0000 97 101 105 106 0 34 PHI24 0 0 0.0000 101 105 106 110 0 35 PHI25 0 0 0.0000 105 106 110 114 0 36 PHI26 0 0 0.0000 106 110 114 115 0 37 PHI27 0 0 0.0000 110 114 115 119 0 38 PHI28 0 0 0.0000 114 115 119 123 0 39 PHI29 0 0 0.0000 115 119 123 124 0 40 PHI30 0 0 0.0000 119 123 124 128 0 41 PHI31 0 0 0.0000 123 124 128 132 0 42 PHI32 0 0 0.0000 124 128 132 136 0 43 PHI33 0 0 0.0000 128 132 136 138 0 44 PHI34 0 0 0.0000 132 136 138 140 0 45 PHI35 0 0 0.0000 136 138 140 141 0 46 PHI36 0 0 0.0000 138 140 141 145 0 47 PHI37 0 0 0.0000 140 141 145 151 0 48 CHI11 0 0 0.0000 141 145 146 147 149 49 PHI38 0 0 0.0000 141 145 151 155 0 50 PHI39 0 0 0.0000 145 151 155 156 0 51 PHI40 0 0 0.0000 151 155 156 158 0 52 PHI41 0 0 0.0000 155 156 158 160 0 53 PHI42 0 0 0.0000 156 158 160 164 0 54 PHI43 0 0 0.0000 158 160 164 168 0 55 PHI44 0 0 0.0000 160 164 168 172 0 56 PHI45 0 0 0.0000 164 168 172 173 0 57 PHI46 0 0 0.0000 168 172 173 177 0 58 PHI47 0 0 0.0000 172 173 177 181 0 59 PHI48 0 0 0.0000 173 177 181 182 0 60 PHI49 0 0 0.0000 177 181 182 186 0 61 PHI50 0 0 0.0000 181 182 186 190 0 62 PHI51 0 0 0.0000 182 186 190 191 0 63 PHI52 0 0 0.0000 186 190 191 195 0 64 PHI53 0 0 0.0000 190 191 195 199 0 65 PHI54 0 0 0.0000 191 195 199 203 0 66 PHI55 0 0 0.0000 195 199 203 205 0 67 PHI56 0 0 0.0000 199 203 205 210 0 68 PHI57 0 0 0.0000 205 210 211 213 0 69 PHI58 0 0 0.0000 210 211 213 217 0 70 PHI59 0 0 0.0000 211 213 217 221 0 71 PHI60 0 0 0.0000 213 217 221 225 0 72 PHI61 0 0 0.0000 217 221 225 234 0 73 CHI12 0 0 0.0000 221 225 226 227 233 74 CHI13 0 0 0.0000 225 226 227 228 230 75 PHI62 0 0 0.0000 221 225 234 238 0 76 PHI63 0 0 0.0000 225 234 238 242 0 77 PHI64 0 0 0.0000 234 238 242 243 0 78 PHI65 0 0 0.0000 238 242 243 247 0 79 PHI66 0 0 0.0000 242 243 247 251 0 80 PHI67 0 0 0.0000 243 247 251 255 0 81 PHI68 0 0 0.0000 247 251 255 257 0 82 PHI69 0 0 0.0000 251 255 257 259 0 83 PHI70 0 0 0.0000 255 257 259 268 0 84 CHI14 0 0 0.0000 260 261 264 265 266 85 PHI71 0 0 0.0000 262 270 271 272 0 86 PHI72 0 0 0.0000 270 271 272 282 0 87 CHI15 0 0 0.0000 271 272 273 274 280 88 CHI16 0 0 0.0000 272 273 274 275 275 89 CHI17 0 0 0.0000 272 273 276 277 279 90 CHI18 0 0 0.0000 273 276 277 278 278 91 PHI73 0 0 0.0000 271 272 282 283 0 92 PHI74 0 0 0.0000 272 282 283 291 0 93 CHI19 0 0 0.0000 282 283 284 285 289 94 CHI20 0 0 0.0000 283 284 285 286 286 95 PHI75 0 0 0.0000 282 283 291 293 0 96 PHI76 0 0 0.0000 283 291 293 294 0 1 O31 O_HYD 0 0.0000 -1.7830 -24.5710 30.7800 2 3 0 0 0 2 H31 H_OXY 0 0.0000 -1.1770 -25.2900 31.0190 1 0 0 0 0 3 C73 C_ALI 0 0.0000 -0.9770 -23.4220 30.5410 1 4 20 21 0 4 C72 C_ALI 0 0.0000 -1.6480 -22.5070 29.5160 3 5 7 19 0 5 O30 O_HYD 0 0.0000 -2.8650 -22.0050 30.0590 4 6 0 0 0 6 H30 H_OXY 0 0.0000 -3.1950 -22.6820 30.6710 5 0 0 0 0 7 C71 C_ALI 0 0.0000 -0.7170 -21.3470 29.1540 4 8 10 18 0 8 O29 O_HYD 0 0.0000 -0.5470 -20.4980 30.2920 7 9 0 0 0 9 H29 H_OXY 0 0.0000 -0.4720 -21.0840 31.0590 8 0 0 0 0 10 C70 C_ALI 0 0.0000 0.6560 -21.8810 28.7250 7 11 17 22 0 11 C75 C_ALI 0 0.0000 1.6600 -20.7620 28.4680 10 12 14 15 0 12 O32 O_HYD 0 0.0000 2.8960 -21.3420 28.0900 11 13 0 0 0 13 H32 H_OXY 0 0.0000 2.8420 -22.2890 28.3010 12 0 0 0 0 14 H751 H_ALI 0 0.0000 1.8020 -20.1730 29.3750 11 0 0 0 16 15 H752 H_ALI 0 0.0000 1.3040 -20.1180 27.6640 11 0 0 0 16 16 Q1 PSEUD 0 0.0000 1.5530 -20.1455 28.5195 0 0 0 0 0 17 H70 H_ALI 0 0.0000 0.5590 -22.4620 27.8000 10 0 0 0 0 18 H71 H_ALI 0 0.0000 -1.1640 -20.7310 28.3660 7 0 0 0 0 19 H72 H_ALI 0 0.0000 -1.9130 -23.0770 28.6180 4 0 0 0 0 20 H73 H_ALI 0 0.0000 -0.8820 -22.8910 31.4960 3 0 0 0 0 21 C74 C_ALI 0 0.0000 0.4030 -23.8650 30.0490 3 22 23 24 0 22 O28 O_EST 0 0.0000 1.2130 -22.7270 29.7430 10 21 0 0 0 23 H74 H_ALI 0 0.0000 0.9080 -24.4380 30.8320 21 0 0 0 0 24 O25 O_EST 0 0.0000 0.2690 -24.7390 28.9290 21 25 0 0 0 25 C66 C_ARO 0 0.0000 1.2340 -25.6960 28.7810 24 26 34 0 0 26 C67 C_ARO 0 0.0000 0.8790 -27.0420 28.7900 25 27 33 0 0 27 C68 C_ARO 0 0.0000 1.8630 -28.0190 28.6380 26 28 31 0 0 28 N14 N_AMO 0 0.0000 1.5070 -29.3930 28.6470 27 29 30 0 0 29 O27 O_XXX 0 0.0000 2.4080 -30.2560 28.5090 28 0 0 0 0 30 O26 O_XXX 0 0.0000 0.3010 -29.7080 28.7930 28 0 0 0 0 31 C69 C_ARO 0 0.0000 3.1980 -27.6450 28.4770 27 32 36 0 0 32 H69 H_ALI 0 0.0000 3.9670 -28.4050 28.3580 31 0 0 0 0 33 H67 H_ALI 0 0.0000 -0.1630 -27.3260 28.9160 26 0 0 0 0 34 C65 C_ARO 0 0.0000 2.5630 -25.3180 28.6200 25 35 36 0 0 35 H65 H_ALI 0 0.0000 2.8320 -24.2640 28.6140 34 0 0 0 0 36 C64 C_ARO 0 0.0000 3.5480 -26.2950 28.4680 31 34 37 0 0 37 C13 C_BYL 0 0.0000 4.9390 -25.9050 28.3020 36 38 39 0 0 38 O24 O_BYL 0 0.0000 5.8550 -26.6760 28.6360 37 0 0 0 0 39 N13 N_AMI 0 0.0000 5.1830 -24.6480 27.7350 37 40 41 0 0 40 H13 H_AMI 0 0.0000 4.4000 -24.0840 27.4220 39 0 0 0 0 41 C60 C_ALI 0 0.0000 6.5090 -24.1290 27.4850 39 42 43 45 0 42 H601 H_ALI 0 0.0000 6.4470 -23.0410 27.5840 41 0 0 0 44 43 H602 H_ALI 0 0.0000 7.1690 -24.5040 28.2730 41 0 0 0 44 44 Q2 PSEUD 0 0.0000 6.8080 -23.7725 27.9285 0 0 0 0 0 45 C59 C_ALI 0 0.0000 7.0290 -24.4950 26.0970 41 46 47 49 0 46 H591 H_ALI 0 0.0000 8.0380 -24.0840 25.9680 45 0 0 0 48 47 H592 H_ALI 0 0.0000 7.1160 -25.5870 26.0330 45 0 0 0 48 48 Q3 PSEUD 0 0.0000 7.5770 -24.8355 26.0005 0 0 0 0 0 49 C58 C_ALI 0 0.0000 6.1490 -23.9910 24.9550 45 50 51 53 0 50 H581 H_ALI 0 0.0000 6.5560 -24.2740 23.9800 49 0 0 0 52 51 H582 H_ALI 0 0.0000 5.1460 -24.4210 25.0410 49 0 0 0 52 52 Q4 PSEUD 0 0.0000 5.8510 -24.3475 24.5105 0 0 0 0 0 53 N15 N_AMI 0 0.0000 5.9900 -22.5380 24.9690 49 54 62 0 0 54 C56 C_ALI 0 0.0000 5.0220 -22.1100 23.9520 53 55 59 60 0 55 C57 C_ALI 0 0.0000 4.8550 -20.5870 23.9650 54 56 57 70 0 56 H571 H_ALI 0 0.0000 4.1630 -20.3050 23.1630 55 0 0 0 58 57 H572 H_ALI 0 0.0000 4.4020 -20.2710 24.9150 55 0 0 0 58 58 Q5 PSEUD 0 0.0000 4.2825 -20.2880 24.0390 0 0 0 0 0 59 H561 H_ALI 0 0.0000 4.0470 -22.5690 24.1580 54 0 0 0 61 60 H562 H_ALI 0 0.0000 5.3350 -22.4410 22.9520 54 0 0 0 61 61 Q6 PSEUD 0 0.0000 4.6910 -22.5050 23.5550 0 0 0 0 0 62 C55 C_ALI 0 0.0000 7.2810 -21.8710 24.7600 53 63 64 66 0 63 H551 H_ALI 0 0.0000 7.7330 -22.1870 23.8110 62 0 0 0 65 64 H552 H_ALI 0 0.0000 7.9740 -22.1520 25.5620 62 0 0 0 65 65 Q7 PSEUD 0 0.0000 7.8535 -22.1695 24.6865 0 0 0 0 0 66 C54 C_ALI 0 0.0000 7.1150 -20.3470 24.7720 62 67 68 70 0 67 H541 H_ALI 0 0.0000 6.8030 -20.0160 25.7720 66 0 0 0 69 68 H542 H_ALI 0 0.0000 8.0900 -19.8890 24.5660 66 0 0 0 69 69 Q8 PSEUD 0 0.0000 7.4465 -19.9525 25.1690 0 0 0 0 0 70 N12 N_AMI 0 0.0000 6.1450 -19.9180 23.7570 55 66 71 0 0 71 C53 C_ALI 0 0.0000 5.9860 -18.4650 23.7730 70 72 73 75 0 72 H531 H_ALI 0 0.0000 5.6290 -18.1790 24.7660 71 0 0 0 74 73 H532 H_ALI 0 0.0000 5.2000 -18.2240 23.0490 71 0 0 0 74 74 Q9 PSEUD 0 0.0000 5.4145 -18.2015 23.9075 0 0 0 0 0 75 C52 C_ALI 0 0.0000 7.2730 -17.7300 23.4060 71 76 77 79 0 76 H521 H_ALI 0 0.0000 8.0320 -17.9540 24.1660 75 0 0 0 78 77 H522 H_ALI 0 0.0000 7.0950 -16.6480 23.4390 75 0 0 0 78 78 Q10 PSEUD 0 0.0000 7.5635 -17.3010 23.8025 0 0 0 0 0 79 C51 C_ALI 0 0.0000 7.8180 -18.0920 22.0260 75 80 81 83 0 80 H511 H_ALI 0 0.0000 8.7380 -17.5310 21.8300 79 0 0 0 82 81 H512 H_ALI 0 0.0000 7.1010 -17.8520 21.2360 79 0 0 0 82 82 Q11 PSEUD 0 0.0000 7.9195 -17.6915 21.5330 0 0 0 0 0 83 N11 N_AMI 0 0.0000 8.1480 -19.4860 21.9110 79 84 85 0 0 84 H11 H_AMI 0 0.0000 8.0170 -20.1090 22.7120 83 0 0 0 0 85 C50 C_ARO 0 0.0000 8.6270 -20.0280 20.7910 83 86 90 0 0 86 C61 C_ARO 0 0.0000 8.9850 -21.4120 20.5840 85 87 88 0 0 87 O17 O_BYL 0 0.0000 9.0270 -22.4770 21.1410 86 0 0 0 0 88 C62 C_ARO 0 0.0000 9.3530 -21.0250 19.2070 86 89 90 0 0 89 O18 O_BYL 0 0.0000 9.7860 -21.6790 18.2950 88 0 0 0 0 90 C49 C_ARO 0 0.0000 8.9550 -19.6610 19.5480 85 88 91 0 0 91 N10 N_AMI 0 0.0000 8.9850 -18.6070 18.7780 90 92 93 0 0 92 H10 H_AMI 0 0.0000 9.3160 -18.6890 17.8170 91 0 0 0 0 93 C48 C_ALI 0 0.0000 8.5570 -17.2800 19.2370 91 94 95 97 0 94 H481 H_ALI 0 0.0000 9.1970 -17.0130 20.0840 93 0 0 0 96 95 H482 H_ALI 0 0.0000 7.5280 -17.3670 19.6010 93 0 0 0 96 96 Q12 PSEUD 0 0.0000 8.3625 -17.1900 19.8425 0 0 0 0 0 97 C47 C_ALI 0 0.0000 8.6640 -16.2220 18.1460 93 98 99 101 0 98 H471 H_ALI 0 0.0000 8.3680 -15.2480 18.5560 97 0 0 0 100 99 H472 H_ALI 0 0.0000 9.7070 -16.1080 17.8250 97 0 0 0 100 100 Q13 PSEUD 0 0.0000 9.0375 -15.6780 18.1905 0 0 0 0 0 101 C46 C_ALI 0 0.0000 7.7940 -16.5340 16.9350 97 102 103 105 0 102 H461 H_ALI 0 0.0000 8.0750 -17.4880 16.4790 101 0 0 0 104 103 H462 H_ALI 0 0.0000 6.7360 -16.5690 17.2130 101 0 0 0 104 104 Q14 PSEUD 0 0.0000 7.4055 -17.0285 16.8460 0 0 0 0 0 105 O16 O_EST 0 0.0000 7.9710 -15.5060 15.9680 101 106 0 0 0 106 C45 C_ALI 0 0.0000 7.1830 -15.7390 14.8090 105 107 108 110 0 107 H451 H_ALI 0 0.0000 7.4890 -16.6960 14.3750 106 0 0 0 109 108 H452 H_ALI 0 0.0000 6.1330 -15.7910 15.1130 106 0 0 0 109 109 Q15 PSEUD 0 0.0000 6.8110 -16.2435 14.7440 0 0 0 0 0 110 C44 C_ALI 0 0.0000 7.3960 -14.6020 13.8290 106 111 112 114 0 111 H441 H_ALI 0 0.0000 6.8030 -14.7470 12.9200 110 0 0 0 113 112 H442 H_ALI 0 0.0000 8.4550 -14.5150 13.5680 110 0 0 0 113 113 Q16 PSEUD 0 0.0000 7.6290 -14.6310 13.2440 0 0 0 0 0 114 O15 O_EST 0 0.0000 6.9860 -13.3830 14.4350 110 115 0 0 0 115 C43 C_ALI 0 0.0000 7.1640 -12.2790 13.5590 114 116 117 119 0 116 H431 H_ALI 0 0.0000 8.2240 -12.2240 13.2910 115 0 0 0 118 117 H432 H_ALI 0 0.0000 6.5660 -12.4550 12.6600 115 0 0 0 118 118 Q17 PSEUD 0 0.0000 7.3950 -12.3395 12.9755 0 0 0 0 0 119 C42 C_ALI 0 0.0000 6.7100 -11.0130 14.2590 115 120 121 123 0 120 H421 H_ALI 0 0.0000 6.8330 -10.1390 13.6130 119 0 0 0 122 121 H422 H_ALI 0 0.0000 7.2710 -10.8670 15.1870 119 0 0 0 122 122 Q18 PSEUD 0 0.0000 7.0520 -10.5030 14.4000 0 0 0 0 0 123 O14 O_EST 0 0.0000 5.3310 -11.1320 14.5860 119 124 0 0 0 124 C41 C_ALI 0 0.0000 4.8560 -9.9790 15.2660 123 125 126 128 0 125 H411 H_ALI 0 0.0000 5.0120 -9.1090 14.6200 124 0 0 0 127 126 H412 H_ALI 0 0.0000 5.4390 -9.8510 16.1840 124 0 0 0 127 127 Q19 PSEUD 0 0.0000 5.2255 -9.4800 15.4020 0 0 0 0 0 128 C40 C_ALI 0 0.0000 3.3780 -10.1710 15.5850 124 129 130 132 0 129 H401 H_ALI 0 0.0000 3.2630 -11.0660 16.2100 128 0 0 0 131 130 H402 H_ALI 0 0.0000 2.8310 -10.3820 14.6570 128 0 0 0 131 131 Q20 PSEUD 0 0.0000 3.0470 -10.7240 15.4335 0 0 0 0 0 132 C39 C_ALI 0 0.0000 2.7680 -8.9750 16.3030 128 133 134 136 0 133 H391 H_ALI 0 0.0000 1.7090 -9.1600 16.5100 132 0 0 0 135 134 H392 H_ALI 0 0.0000 3.2750 -8.7860 17.2550 132 0 0 0 135 135 Q21 PSEUD 0 0.0000 2.4920 -8.9730 16.8825 0 0 0 0 0 136 N9 N_AMI 0 0.0000 2.8370 -7.7700 15.5220 132 137 138 0 0 137 HN9 H_AMI 0 0.0000 3.6610 -7.1790 15.6260 136 0 0 0 0 138 C38 C_BYL 0 0.0000 1.8540 -7.3640 14.6380 136 139 140 0 0 139 O13 O_BYL 0 0.0000 0.8110 -7.9670 14.4070 138 0 0 0 0 140 O12 O_EST 0 0.0000 2.2130 -6.1830 14.0520 138 141 0 0 0 141 C37 C_ALI 0 0.0000 1.2800 -5.6450 13.1080 140 142 143 145 0 142 H371 H_ALI 0 0.0000 1.1490 -6.3840 12.3100 141 0 0 0 144 143 H372 H_ALI 0 0.0000 0.3200 -5.4970 13.6150 141 0 0 0 144 144 Q22 PSEUD 0 0.0000 0.7345 -5.9405 12.9625 0 0 0 0 0 145 C36 C_ALI 0 0.0000 1.8250 -4.3340 12.5480 141 146 150 151 0 146 N8 N_AMO 0 0.0000 2.0420 -3.3880 13.6230 145 147 148 0 0 147 HN81 H_AMI 0 0.0000 2.9810 -3.1100 13.8370 146 0 0 0 149 148 HN82 H_AMI 0 0.0000 1.2860 -3.1940 14.2520 146 0 0 0 149 149 Q23 PSEUD 0 0.0000 2.1335 -3.1520 14.0445 0 0 0 0 0 150 H36 H_ALI 0 0.0000 2.8140 -4.4950 12.1020 145 0 0 0 0 151 C35 C_ALI 0 0.0000 0.8740 -3.7440 11.5090 145 152 153 155 0 152 H351 H_ALI 0 0.0000 1.2570 -2.8020 11.1010 151 0 0 0 154 153 H352 H_ALI 0 0.0000 -0.1140 -3.5640 11.9460 151 0 0 0 154 154 Q24 PSEUD 0 0.0000 0.5715 -3.1830 11.5235 0 0 0 0 0 155 O11 O_EST 0 0.0000 0.7120 -4.6670 10.4380 151 156 0 0 0 156 C34 C_BYL 0 0.0000 1.5980 -4.5490 9.3990 155 157 158 0 0 157 O10 O_BYL 0 0.0000 2.4940 -3.7140 9.3470 156 0 0 0 0 158 N7 N_AMI 0 0.0000 1.3270 -5.5000 8.4380 156 159 160 0 0 159 HN7 H_AMI 0 0.0000 0.5530 -6.1370 8.5990 158 0 0 0 0 160 C33 C_ALI 0 0.0000 2.0820 -5.6410 7.2140 158 161 162 164 0 161 H331 H_ALI 0 0.0000 2.4380 -4.6430 6.9420 160 0 0 0 163 162 H332 H_ALI 0 0.0000 1.3940 -5.9830 6.4340 160 0 0 0 163 163 Q25 PSEUD 0 0.0000 1.9160 -5.3130 6.6880 0 0 0 0 0 164 C32 C_ALI 0 0.0000 3.2590 -6.5960 7.3620 160 165 166 168 0 165 H321 H_ALI 0 0.0000 3.8150 -6.6340 6.4160 164 0 0 0 167 166 H322 H_ALI 0 0.0000 3.9670 -6.2180 8.1100 164 0 0 0 167 167 Q26 PSEUD 0 0.0000 3.8910 -6.4260 7.2630 0 0 0 0 0 168 C31 C_ALI 0 0.0000 2.8310 -8.0080 7.7400 164 169 170 172 0 169 H311 H_ALI 0 0.0000 2.2940 -8.0180 8.6940 168 0 0 0 171 170 H312 H_ALI 0 0.0000 2.1900 -8.4420 6.9660 168 0 0 0 171 171 Q27 PSEUD 0 0.0000 2.2420 -8.2300 7.8300 0 0 0 0 0 172 O9 O_EST 0 0.0000 3.9920 -8.8180 7.8720 168 173 0 0 0 173 C30 C_ALI 0 0.0000 3.6580 -10.1540 8.2250 172 174 175 177 0 174 H301 H_ALI 0 0.0000 3.1270 -10.1310 9.1820 173 0 0 0 176 175 H302 H_ALI 0 0.0000 3.0030 -10.5600 7.4490 173 0 0 0 176 176 Q28 PSEUD 0 0.0000 3.0650 -10.3455 8.3155 0 0 0 0 0 177 C29 C_ALI 0 0.0000 4.9310 -10.9710 8.3270 173 178 179 181 0 178 H291 H_ALI 0 0.0000 4.7140 -12.0090 8.5980 177 0 0 0 180 179 H292 H_ALI 0 0.0000 5.6110 -10.5320 9.0630 177 0 0 0 180 180 Q29 PSEUD 0 0.0000 5.1625 -11.2705 8.8305 0 0 0 0 0 181 O8 O_EST 0 0.0000 5.5850 -10.9720 7.0630 177 182 0 0 0 182 C28 C_ALI 0 0.0000 6.7880 -11.7260 7.0990 181 183 184 186 0 183 H281 H_ALI 0 0.0000 7.4430 -11.2860 7.8580 182 0 0 0 185 184 H282 H_ALI 0 0.0000 6.5400 -12.7540 7.3780 182 0 0 0 185 185 Q30 PSEUD 0 0.0000 6.9915 -12.0200 7.6180 0 0 0 0 0 186 C27 C_ALI 0 0.0000 7.4370 -11.6890 5.7290 182 187 188 190 0 187 H271 H_ALI 0 0.0000 8.3700 -12.2610 5.7190 186 0 0 0 189 188 H272 H_ALI 0 0.0000 7.6340 -10.6570 5.4260 186 0 0 0 189 189 Q31 PSEUD 0 0.0000 8.0020 -11.4590 5.5725 0 0 0 0 0 190 O7 O_EST 0 0.0000 6.5500 -12.2700 4.7800 186 191 0 0 0 191 C26 C_ALI 0 0.0000 7.0990 -12.2430 3.4700 190 192 193 195 0 192 H261 H_ALI 0 0.0000 8.0450 -12.7930 3.4820 191 0 0 0 194 193 H262 H_ALI 0 0.0000 7.2950 -11.2010 3.1970 191 0 0 0 194 194 Q32 PSEUD 0 0.0000 7.6700 -11.9970 3.3395 0 0 0 0 0 195 C25 C_ALI 0 0.0000 6.1020 -12.8780 2.5080 191 196 197 199 0 196 H251 H_ALI 0 0.0000 5.1620 -12.3140 2.5470 195 0 0 0 198 197 H252 H_ALI 0 0.0000 5.8590 -13.8910 2.8530 195 0 0 0 198 198 Q33 PSEUD 0 0.0000 5.5105 -13.1025 2.7000 0 0 0 0 0 199 C24 C_ALI 0 0.0000 6.6080 -12.9130 1.0720 195 200 201 203 0 200 H241 H_ALI 0 0.0000 5.8610 -13.3760 0.4210 199 0 0 0 202 201 H242 H_ALI 0 0.0000 6.8070 -11.9030 0.7000 199 0 0 0 202 202 Q34 PSEUD 0 0.0000 6.3340 -12.6395 0.5605 0 0 0 0 0 203 N6 N_AMI 0 0.0000 7.8170 -13.6780 0.9320 199 204 205 0 0 204 HN6 H_AMI 0 0.0000 8.2280 -14.1370 1.7490 203 0 0 0 0 205 C23 C_ARO 0 0.0000 8.4490 -13.8280 -0.2320 203 206 210 0 0 206 C63 C_ARO 0 0.0000 9.6640 -14.5750 -0.4660 205 207 208 0 0 207 O19 O_BYL 0 0.0000 10.4900 -15.2480 0.0930 206 0 0 0 0 208 C76 C_ARO 0 0.0000 9.5420 -14.1710 -1.8810 206 209 210 0 0 209 O20 O_BYL 0 0.0000 10.2380 -14.4120 -2.8320 208 0 0 0 0 210 C22 C_ARO 0 0.0000 8.3250 -13.4530 -1.5090 205 208 211 0 0 211 N5 N_AMI 0 0.0000 7.5400 -12.7570 -2.2870 210 212 213 0 0 212 HN5 H_AMI 0 0.0000 7.7570 -12.6720 -3.2800 211 0 0 0 0 213 C21 C_ALI 0 0.0000 6.3370 -12.0770 -1.7930 211 214 215 217 0 214 H211 H_ALI 0 0.0000 5.6850 -12.8490 -1.3740 213 0 0 0 216 215 H212 H_ALI 0 0.0000 6.6390 -11.4110 -0.9790 213 0 0 0 216 216 Q35 PSEUD 0 0.0000 6.1620 -12.1300 -1.1765 0 0 0 0 0 217 C20 C_ALI 0 0.0000 5.6000 -11.3160 -2.8940 213 218 219 221 0 218 H201 H_ALI 0 0.0000 5.2850 -12.0210 -3.6730 217 0 0 0 220 219 H202 H_ALI 0 0.0000 4.6890 -10.8800 -2.4670 217 0 0 0 220 220 Q36 PSEUD 0 0.0000 4.9870 -11.4505 -3.0700 0 0 0 0 0 221 C19 C_ALI 0 0.0000 6.4320 -10.2120 -3.5430 217 222 223 225 0 222 H191 H_ALI 0 0.0000 5.8690 -9.6930 -4.3250 221 0 0 0 224 223 H192 H_ALI 0 0.0000 6.7240 -9.4740 -2.7900 221 0 0 0 224 224 Q37 PSEUD 0 0.0000 6.2965 -9.5835 -3.5575 0 0 0 0 0 225 N4 N_AMI 0 0.0000 7.6650 -10.7180 -4.1420 221 226 234 0 0 226 C17 C_ALI 0 0.0000 8.5040 -9.6120 -4.6200 225 227 231 232 0 227 C18 C_ALI 0 0.0000 9.7970 -10.1400 -5.2510 226 228 229 242 0 228 H181 H_ALI 0 0.0000 10.3700 -9.2880 -5.6370 227 0 0 0 230 229 H182 H_ALI 0 0.0000 10.4120 -10.6290 -4.4840 227 0 0 0 230 230 Q38 PSEUD 0 0.0000 10.3910 -9.9585 -5.0605 0 0 0 0 0 231 H171 H_ALI 0 0.0000 8.7690 -8.9610 -3.7770 226 0 0 0 233 232 H172 H_ALI 0 0.0000 7.9590 -8.9970 -5.3490 226 0 0 0 233 233 Q39 PSEUD 0 0.0000 8.3640 -8.9790 -4.5630 0 0 0 0 0 234 C16 C_ALI 0 0.0000 7.3700 -11.6480 -5.2390 225 235 236 238 0 235 H161 H_ALI 0 0.0000 6.7530 -11.1600 -6.0060 234 0 0 0 237 236 H162 H_ALI 0 0.0000 6.7960 -12.5000 -4.8530 234 0 0 0 237 237 Q40 PSEUD 0 0.0000 6.7745 -11.8300 -5.4295 0 0 0 0 0 238 C15 C_ALI 0 0.0000 8.6620 -12.1760 -5.8710 234 239 240 242 0 239 H151 H_ALI 0 0.0000 9.2080 -12.7900 -5.1420 238 0 0 0 241 240 H152 H_ALI 0 0.0000 8.3980 -12.8260 -6.7130 238 0 0 0 241 241 Q41 PSEUD 0 0.0000 8.8030 -12.8080 -5.9275 0 0 0 0 0 242 N3 N_AMI 0 0.0000 9.5000 -11.0690 -6.3490 227 238 243 0 0 243 C14 C_ALI 0 0.0000 10.7330 -11.5740 -6.9500 242 244 245 247 0 244 H141 H_ALI 0 0.0000 11.2720 -12.1390 -6.1830 243 0 0 0 246 245 H142 H_ALI 0 0.0000 11.3380 -10.7000 -7.2140 243 0 0 0 246 246 Q42 PSEUD 0 0.0000 11.3050 -11.4195 -6.6985 0 0 0 0 0 247 C12 C_ALI 0 0.0000 10.4750 -12.4220 -8.1930 243 248 249 251 0 248 H121 H_ALI 0 0.0000 9.9030 -13.3100 -7.8980 247 0 0 0 250 249 H122 H_ALI 0 0.0000 11.4320 -12.7750 -8.5960 247 0 0 0 250 250 Q43 PSEUD 0 0.0000 10.6675 -13.0425 -8.2470 0 0 0 0 0 251 C11 C_ALI 0 0.0000 9.7240 -11.6830 -9.2990 247 252 253 255 0 252 H111 H_ALI 0 0.0000 8.7490 -11.3510 -8.9290 251 0 0 0 254 253 H112 H_ALI 0 0.0000 9.5550 -12.3260 -10.1680 251 0 0 0 254 254 Q44 PSEUD 0 0.0000 9.1520 -11.8385 -9.5485 0 0 0 0 0 255 N2 N_AMI 0 0.0000 10.4210 -10.5090 -9.7490 251 256 257 0 0 256 HN2 H_AMI 0 0.0000 10.2660 -9.6450 -9.2340 255 0 0 0 0 257 C10 C_BYL 0 0.0000 11.3420 -10.5360 -10.7900 255 258 259 0 0 258 O6 O_BYL 0 0.0000 11.6510 -11.5430 -11.4220 257 0 0 0 0 259 C6 C_ARO 0 0.0000 11.9960 -9.2430 -11.1190 257 260 268 0 0 260 C7 C_ARO 0 0.0000 13.2510 -9.2580 -11.6920 259 261 267 0 0 261 C8 C_ARO 0 0.0000 13.8640 -8.0430 -12.0010 260 262 264 0 0 262 C9 C_ARO 0 0.0000 13.2080 -6.8420 -11.7310 261 263 270 0 0 263 H9 H_ALI 0 0.0000 13.6800 -5.8920 -11.9700 262 0 0 0 0 264 N1 N_AMO 0 0.0000 15.1550 -8.0300 -12.5920 261 265 266 0 0 265 O4 O_XXX 0 0.0000 15.7270 -9.1220 -12.8270 264 0 0 0 0 266 O5 O_XXX 0 0.0000 15.6880 -6.9270 -12.8630 264 0 0 0 0 267 H7 H_ALI 0 0.0000 13.7600 -10.1960 -11.9020 260 0 0 0 0 268 C5 C_ARO 0 0.0000 11.3260 -8.0690 -10.8420 259 269 270 0 0 269 H5 H_ALI 0 0.0000 10.3370 -8.0740 -10.3900 268 0 0 0 0 270 C4 C_ARO 0 0.0000 11.9390 -6.8550 -11.1510 262 268 271 0 0 271 O3 O_EST 0 0.0000 11.3000 -5.6830 -10.8870 270 272 0 0 0 272 C3 C_ALI 0 0.0000 10.9580 -5.4220 -9.5270 271 273 281 282 0 273 C77 C_ALI 0 0.0000 10.2300 -4.0780 -9.4530 272 274 276 280 0 274 O21 O_HYD 0 0.0000 11.0510 -3.0590 -10.0270 273 275 0 0 0 275 H21 H_OXY 0 0.0000 11.5490 -2.6670 -9.2940 274 0 0 0 0 276 C78 C_ALI 0 0.0000 9.9100 -3.7480 -7.9930 273 277 279 291 0 277 O22 O_HYD 0 0.0000 9.3330 -2.4530 -7.8790 276 278 0 0 0 278 H22 H_OXY 0 0.0000 9.7010 -2.0530 -7.0750 277 0 0 0 0 279 H78 H_ALI 0 0.0000 9.1660 -4.4660 -7.6260 276 0 0 0 0 280 H77 H_ALI 0 0.0000 9.3150 -4.0980 -10.0550 273 0 0 0 0 281 H3 H_ALI 0 0.0000 10.2910 -6.2270 -9.1920 272 0 0 0 0 282 O2 O_EST 0 0.0000 12.1280 -5.4190 -8.7030 272 283 0 0 0 283 C2 C_ALI 0 0.0000 11.8340 -5.2110 -7.3140 282 284 290 291 0 284 C1 C_ALI 0 0.0000 13.1440 -5.3470 -6.5480 283 285 287 288 0 285 O1 O_HYD 0 0.0000 13.6840 -6.6330 -6.7990 284 286 0 0 0 286 HO1 H_OXY 0 0.0000 14.6320 -6.5900 -6.5910 285 0 0 0 0 287 H11A H_ALI 0 0.0000 12.9650 -5.2350 -5.4780 284 0 0 0 289 288 H12 H_ALI 0 0.0000 13.8530 -4.5890 -6.8820 284 0 0 0 289 289 Q45 PSEUD 0 0.0000 13.4090 -4.9120 -6.1800 0 0 0 0 0 290 H2 H_ALI 0 0.0000 11.1600 -6.0110 -6.9820 283 0 0 0 0 291 C79 C_ALI 0 0.0000 11.1530 -3.8500 -7.1030 276 283 292 293 0 292 H79 H_ALI 0 0.0000 10.8650 -3.7130 -6.0540 291 0 0 0 0 293 O23 O_HYD 0 0.0000 12.0520 -2.7890 -7.4260 291 294 0 0 0 294 H23 H_OXY 0 0.0000 12.4620 -2.5140 -6.5920 293 0 0 0 0