@MOLECULE 7juz.A 533 543 32 0 0 BIOPOLYMER USER_CHARGES @ATOM 1 N -5.1910 65.1810 -29.1440 N.4 1 VAL601 1.0000 BACKBONE 2 H1 -4.8637 64.9768 -30.0774 H 1 VAL601 0.0000 BACKBONE 3 H2 -6.1177 65.5799 -29.1919 H 1 VAL601 0.0000 BACKBONE 4 H3 -5.2190 64.3285 -28.6030 H 1 VAL601 0.0000 BACKBONE 5 CA -4.2850 66.1310 -28.5080 C.3 1 VAL601 0.0000 BACKBONE 6 HA -4.2904 67.0457 -29.1008 H 1 VAL601 0.0000 BACKBONE 7 C -2.8580 65.5960 -28.4760 C.2 1 VAL601 0.0000 BACKBONE 8 O -2.5840 64.5680 -27.8550 O.2 1 VAL601 0.0000 BACKBONE 9 CB -4.7540 66.4530 -27.1080 C.3 1 VAL601 0.0000 10 HB1 -4.7523 65.5442 -26.5062 H 1 VAL601 0.0000 11 HB2 -5.7642 66.8604 -27.1479 H 1 VAL601 0.0000 12 HB3 -4.0838 67.1866 -26.6600 H 1 VAL601 0.0000 13 N -1.9540 66.3050 -29.1500 N.am 2 TYR602 0.0000 BACKBONE 14 H -2.2565 67.1451 -29.6221 H 2 TYR602 0.0000 BACKBONE 15 CA -0.5500 65.9270 -29.2390 C.3 2 TYR602 0.0000 BACKBONE 16 HA -0.4636 64.8985 -28.8887 H 2 TYR602 0.0000 BACKBONE 17 C 0.3380 66.7770 -28.3390 C.2 2 TYR602 0.0000 BACKBONE 18 O 1.5680 66.7270 -28.4710 O.2 2 TYR602 0.0000 BACKBONE 19 CB -0.0790 66.0150 -30.6940 C.3 2 TYR602 0.0000 20 HB2 0.8591 65.4680 -30.7883 H 2 TYR602 0.0000 21 HB3 0.0854 67.0635 -30.9423 H 2 TYR602 0.0000 22 CG -1.0750 65.4370 -31.6790 C.ar 2 TYR602 0.0000 23 CD1 -1.3520 64.0750 -31.6990 C.ar 2 TYR602 0.0000 24 HD1 -0.8459 63.4208 -31.0045 H 2 TYR602 0.0000 25 CD2 -1.7510 66.2540 -32.5770 C.ar 2 TYR602 0.0000 26 HD2 -1.5577 67.3166 -32.5761 H 2 TYR602 0.0000 27 CE1 -2.2660 63.5410 -32.5940 C.ar 2 TYR602 0.0000 28 HE1 -2.4635 62.4792 -32.5995 H 2 TYR602 0.0000 29 CE2 -2.6690 65.7300 -33.4740 C.ar 2 TYR602 0.0000 30 HE2 -3.1831 66.3806 -34.1660 H 2 TYR602 0.0000 31 CZ -2.9230 64.3740 -33.4790 C.ar 2 TYR602 0.0000 32 OH -3.8340 63.8520 -34.3700 O.3 2 TYR602 0.0000 33 HH -4.2473 64.4948 -34.9511 H 2 TYR602 0.0000 34 N -0.2690 67.5760 -27.4530 N.am 3 LEU603 0.0000 BACKBONE 35 H -1.2776 67.6171 -27.4853 H 3 LEU603 0.0000 BACKBONE 36 CA 0.4000 68.3950 -26.4420 C.3 3 LEU603 0.0000 BACKBONE 37 HA -0.3694 68.7975 -25.7831 H 3 LEU603 0.0000 BACKBONE 38 C 1.1250 69.5900 -27.0600 C.2 3 LEU603 0.0000 BACKBONE 39 O 1.3400 70.6050 -26.3870 O.2 3 LEU603 0.0000 BACKBONE 40 CB 1.3590 67.5390 -25.6060 C.3 3 LEU603 0.0000 41 HB2 2.2231 67.3109 -26.2300 H 3 LEU603 0.0000 42 HB3 0.8386 66.6149 -25.3543 H 3 LEU603 0.0000 43 CG 1.8800 68.1420 -24.3030 C.3 3 LEU603 0.0000 44 HG 2.7428 68.7749 -24.5106 H 3 LEU603 0.0000 45 CD1 0.8010 68.9990 -23.6620 C.3 3 LEU603 0.0000 46 HD11 -0.0719 68.3829 -23.4463 H 3 LEU603 0.0000 47 HD12 0.5201 69.8006 -24.3451 H 3 LEU603 0.0000 48 HD13 1.1809 69.4282 -22.7349 H 3 LEU603 0.0000 49 CD2 2.3030 67.0250 -23.3660 C.3 3 LEU603 0.0000 50 HD21 1.4462 66.3861 -23.1522 H 3 LEU603 0.0000 51 HD22 2.6780 67.4530 -22.4363 H 3 LEU603 0.0000 52 HD23 3.0886 66.4339 -23.8367 H 3 LEU603 0.0000 53 N 1.4960 69.4900 -28.3380 N.am 4 GLN604 0.0000 BACKBONE 54 H 1.4162 68.6017 -28.8120 H 4 GLN604 0.0000 BACKBONE 55 CA 2.0150 70.6460 -29.0590 C.3 4 GLN604 0.0000 BACKBONE 56 HA 2.7327 71.1418 -28.4055 H 4 GLN604 0.0000 BACKBONE 57 C 0.9260 71.6590 -29.3870 C.2 4 GLN604 0.0000 BACKBONE 58 O 1.2450 72.7640 -29.8410 O.2 4 GLN604 0.0000 BACKBONE 59 CB 2.7130 70.1920 -30.3420 C.3 4 GLN604 0.0000 60 HB2 3.0919 71.0740 -30.8584 H 4 GLN604 0.0000 61 HB3 1.9805 69.6884 -30.9728 H 4 GLN604 0.0000 62 CG 3.8750 69.2400 -30.1010 C.3 4 GLN604 0.0000 63 HG2 3.5092 68.3802 -29.5397 H 4 GLN604 0.0000 64 HG3 4.6342 69.7593 -29.5161 H 4 GLN604 0.0000 65 CD 4.5100 68.7440 -31.3860 C.2 4 GLN604 0.0000 66 OE1 3.8770 68.7300 -32.4420 O.2 4 GLN604 0.0000 67 NE2 5.7700 68.3320 -31.3000 N.am 4 GLN604 0.0000 68 HE21 6.2466 67.9897 -32.1221 H 4 GLN604 0.0000 69 HE22 6.2514 68.3611 -30.4126 H 4 GLN604 0.0000 70 N -0.3420 71.3080 -29.1710 N.am 5 GLU605 0.0000 BACKBONE 71 H -0.5334 70.3671 -28.8576 H 5 GLU605 0.0000 BACKBONE 72 CA -1.4640 72.2150 -29.3650 C.3 5 GLU605 0.0000 BACKBONE 73 HA -1.2230 72.8321 -30.2305 H 5 GLU605 0.0000 BACKBONE 74 C -1.6770 73.1450 -28.1820 C.2 5 GLU605 0.0000 BACKBONE 75 O -2.6630 73.8920 -28.1680 O.2 5 GLU605 0.0000 BACKBONE 76 CB -2.7460 71.4200 -29.6210 C.3 5 GLU605 0.0000 77 HB2 -3.3812 72.0025 -30.2883 H 5 GLU605 0.0000 78 HB3 -3.2550 71.2772 -28.6678 H 5 GLU605 0.0000 79 CG -2.5220 70.0580 -30.2480 C.3 5 GLU605 0.0000 80 HG2 -1.8751 69.4726 -29.5947 H 5 GLU605 0.0000 81 HG3 -2.0367 70.1918 -31.2148 H 5 GLU605 0.0000 82 CD -3.8180 69.3050 -30.4530 C.2 5 GLU605 0.0000 83 OE1 -3.8430 68.3750 -31.2860 O.co2 5 GLU605 -0.5000 84 OE2 -4.8150 69.6520 -29.7860 O.co2 5 GLU605 -0.5000 85 N -0.7910 73.1140 -27.1940 N.am 6 TRP606 0.0000 BACKBONE 86 H 0.0295 72.5332 -27.2917 H 6 TRP606 0.0000 BACKBONE 87 CA -0.9630 73.8880 -25.9770 C.3 6 TRP606 0.0000 BACKBONE 88 HA -1.9622 74.3232 -25.9927 H 6 TRP606 0.0000 BACKBONE 89 C 0.0570 75.0150 -25.9120 C.2 6 TRP606 0.0000 BACKBONE 90 O 1.1320 74.9420 -26.5170 O.2 6 TRP606 0.0000 BACKBONE 91 CB -0.8500 72.9940 -24.7380 C.3 6 TRP606 0.0000 92 HB2 -0.3220 73.5407 -23.9567 H 6 TRP606 0.0000 93 HB3 -0.2855 72.0992 -25.0002 H 6 TRP606 0.0000 94 CG -2.1960 72.5820 -24.2160 C.2 6 TRP606 0.0000 95 CD1 -2.9370 73.2150 -23.2590 C.2 6 TRP606 0.0000 96 HD1 -2.6368 74.1117 -22.7373 H 6 TRP606 0.0000 97 CD2 -2.9710 71.4540 -24.6410 C.ar 6 TRP606 0.0000 98 NE1 -4.1210 72.5450 -23.0560 N.pl3 6 TRP606 0.0000 99 HE1 -4.8396 72.8090 -22.3972 H 6 TRP606 0.0000 100 CE2 -4.1670 71.4610 -23.8930 C.ar 6 TRP606 0.0000 101 CE3 -2.7690 70.4370 -25.5780 C.ar 6 TRP606 0.0000 102 HE3 -1.8625 70.4003 -26.1639 H 6 TRP606 0.0000 103 CZ2 -5.1550 70.4910 -24.0550 C.ar 6 TRP606 0.0000 104 HZ2 -6.0660 70.5154 -23.4755 H 6 TRP606 0.0000 105 CZ3 -3.7510 69.4800 -25.7400 C.ar 6 TRP606 0.0000 106 HZ3 -3.6111 68.6956 -26.4691 H 6 TRP606 0.0000 107 CH2 -4.9250 69.5070 -24.9770 C.ar 6 TRP606 0.0000 108 HH2 -5.6653 68.7337 -25.1197 H 6 TRP606 0.0000 109 N -0.2990 76.0710 -25.1780 N.am 7 ASP607 0.0000 BACKBONE 110 H -1.1852 76.0650 -24.6936 H 7 ASP607 0.0000 BACKBONE 111 CA 0.5730 77.2320 -25.0660 C.3 7 ASP607 0.0000 BACKBONE 112 HA 0.9568 77.4272 -26.0673 H 7 ASP607 0.0000 BACKBONE 113 C 1.7720 76.9940 -24.1660 C.2 7 ASP607 0.0000 BACKBONE 114 O 2.6830 77.8280 -24.1470 O.2 7 ASP607 0.0000 BACKBONE 115 CB -0.2150 78.4340 -24.5570 C.3 7 ASP607 0.0000 116 HB2 -0.9324 78.7324 -25.3214 H 7 ASP607 0.0000 117 HB3 0.4782 79.2540 -24.3694 H 7 ASP607 0.0000 118 CG -0.9590 78.1300 -23.2880 C.2 7 ASP607 0.0000 119 OD1 -0.9530 76.9490 -22.8770 O.co2 7 ASP607 -0.5000 120 OD2 -1.5390 79.0680 -22.7020 O.co2 7 ASP607 -0.5000 121 N 1.7970 75.9000 -23.4180 N.am 8 ILE608 0.0000 BACKBONE 122 H 0.9877 75.2964 -23.3895 H 8 ILE608 0.0000 BACKBONE 123 CA 2.9770 75.5580 -22.6370 C.3 8 ILE608 0.0000 BACKBONE 124 HA 3.4293 76.4558 -22.2157 H 8 ILE608 0.0000 BACKBONE 125 C 3.9410 74.8600 -23.5850 C.2 8 ILE608 0.0000 BACKBONE 126 O 3.6320 73.7720 -24.0940 O.2 8 ILE608 0.0000 BACKBONE 127 CB 2.6280 74.6700 -21.4380 C.3 8 ILE608 0.0000 128 HB 2.3616 73.6765 -21.7986 H 8 ILE608 0.0000 129 CG1 1.4360 75.2520 -20.6780 C.3 8 ILE608 0.0000 130 HG12 0.8963 74.4302 -20.2073 H 8 ILE608 0.0000 131 HG13 0.7842 75.7513 -21.3949 H 8 ILE608 0.0000 132 CG2 3.8210 74.5640 -20.5200 C.3 8 ILE608 0.0000 133 HG21 4.0899 75.5562 -20.1577 H 8 ILE608 0.0000 134 HG22 4.6622 74.1360 -21.0653 H 8 ILE608 0.0000 135 HG23 3.5726 73.9232 -19.6739 H 8 ILE608 0.0000 136 CD1 1.8100 76.2420 -19.6120 C.3 8 ILE608 0.0000 137 HD11 2.4631 75.7619 -18.8833 H 8 ILE608 0.0000 138 HD12 0.9081 76.5970 -19.1133 H 8 ILE608 0.0000 139 HD13 2.3301 77.0855 -20.0659 H 8 ILE608 0.0000 140 N 5.0940 75.4540 -23.8700 N.am 9 PRO609 0.0000 BACKBONE 141 CA 6.0400 74.8360 -24.8020 C.3 9 PRO609 0.0000 BACKBONE 142 HA 5.6189 74.6211 -25.7841 H 9 PRO609 0.0000 BACKBONE 143 C 6.5100 73.5040 -24.2530 C.2 9 PRO609 0.0000 BACKBONE 144 O 6.8800 73.3900 -23.0840 O.2 9 PRO609 0.0000 BACKBONE 145 CB 7.1810 75.8560 -24.8700 C.3 9 PRO609 0.0000 146 HB2 7.0325 76.5536 -25.6942 H 9 PRO609 0.0000 147 HB3 8.1437 75.3578 -24.9847 H 9 PRO609 0.0000 148 CG 7.0940 76.5620 -23.5440 C.3 9 PRO609 0.0000 149 HG2 7.5554 77.5479 -23.6015 H 9 PRO609 0.0000 150 HG3 7.5816 75.9776 -22.7637 H 9 PRO609 0.0000 151 CD 5.6360 76.6790 -23.2790 C.3 9 PRO609 0.0000 152 HD2 5.4345 76.7199 -22.2086 H 9 PRO609 0.0000 153 HD3 5.2201 77.5637 -23.7610 H 9 PRO609 0.0000 154 N 6.4800 72.4900 -25.1040 N.am 10 PHE610 0.0000 BACKBONE 155 H 6.2597 72.6754 -26.0721 H 10 PHE610 0.0000 BACKBONE 156 CA 6.7520 71.1190 -24.6990 C.3 10 PHE610 0.0000 BACKBONE 157 HA 7.1336 71.0924 -23.6783 H 10 PHE610 0.0000 BACKBONE 158 C 7.8060 70.5380 -25.6250 C.2 10 PHE610 0.0000 BACKBONE 159 O 7.6090 70.4890 -26.8440 O.2 10 PHE610 0.0000 BACKBONE 160 CB 5.4560 70.2960 -24.7190 C.3 10 PHE610 0.0000 161 HB2 4.8700 70.6069 -25.5839 H 10 PHE610 0.0000 162 HB3 4.9011 70.5147 -23.8066 H 10 PHE610 0.0000 163 CG 5.6570 68.8020 -24.8000 C.ar 10 PHE610 0.0000 164 CD1 5.8480 68.1710 -26.0270 C.ar 10 PHE610 0.0000 165 HD1 5.8574 68.7621 -26.9308 H 10 PHE610 0.0000 166 CD2 5.6480 68.0250 -23.6530 C.ar 10 PHE610 0.0000 167 HD2 5.5012 68.4929 -22.6907 H 10 PHE610 0.0000 168 CE1 6.0260 66.8010 -26.1100 C.ar 10 PHE610 0.0000 169 HE1 6.1727 66.3328 -27.0721 H 10 PHE610 0.0000 170 CE2 5.8270 66.6430 -23.7300 C.ar 10 PHE610 0.0000 171 HE2 5.8187 66.0462 -22.8299 H 10 PHE610 0.0000 172 CZ 6.0160 66.0350 -24.9660 C.ar 10 PHE610 0.0000 173 HZ 6.1545 64.9657 -25.0285 H 10 PHE610 0.0000 174 N 8.9310 70.1220 -25.0530 N.am 11 GLU611 0.0000 BACKBONE 175 H 9.1553 70.4356 -24.1195 H 11 GLU611 0.0000 BACKBONE 176 CA 9.8470 69.2250 -25.7410 C.3 11 GLU611 0.0000 BACKBONE 177 HA 9.5262 69.2125 -26.7826 H 11 GLU611 0.0000 BACKBONE 178 C 9.7920 67.8170 -25.1910 C.2 11 GLU611 0.0000 BACKBONE 179 O 9.6950 66.8530 -25.9600 O.2 11 GLU611 0.0000 BACKBONE 180 CB 11.2920 69.7230 -25.6420 C.3 11 GLU611 0.0000 181 HB2 11.9485 68.9112 -25.9552 H 11 GLU611 0.0000 182 HB3 11.4909 69.9694 -24.5990 H 11 GLU611 0.0000 183 CG 11.6220 70.9320 -26.4740 C.3 11 GLU611 0.0000 184 HG2 10.7079 71.5001 -26.6467 H 11 GLU611 0.0000 185 HG3 12.0299 70.6009 -27.4290 H 11 GLU611 0.0000 186 CD 12.6340 71.8300 -25.7960 C.2 11 GLU611 0.0000 187 OE1 12.3050 72.4480 -24.7610 O.co2 11 GLU611 -0.5000 188 OE2 13.7660 71.9200 -26.3130 O.co2 11 GLU611 -0.5000 189 N 9.8320 67.6920 -23.8690 N.am 12 GLN612 0.0000 BACKBONE 190 H 9.8174 68.5268 -23.3006 H 12 GLN612 0.0000 BACKBONE 191 CA 9.8960 66.3980 -23.2110 C.3 12 GLN612 0.0000 BACKBONE 192 HA 9.2810 65.6687 -23.7382 H 12 GLN612 0.0000 BACKBONE 193 C 9.3740 66.5590 -21.7940 C.2 12 GLN612 0.0000 BACKBONE 194 O 9.7050 67.5390 -21.1230 O.2 12 GLN612 0.0000 BACKBONE 195 CB 11.3350 65.8740 -23.2220 C.3 12 GLN612 0.0000 196 HB2 11.9656 66.6165 -22.7330 H 12 GLN612 0.0000 197 HB3 11.6433 65.7634 -24.2616 H 12 GLN612 0.0000 198 CG 11.5540 64.5530 -22.5310 C.3 12 GLN612 0.0000 199 HG2 11.3869 63.7481 -23.2467 H 12 GLN612 0.0000 200 HG3 10.8433 64.4621 -21.7096 H 12 GLN612 0.0000 201 CD 12.9600 64.4350 -21.9790 C.2 12 GLN612 0.0000 202 OE1 13.6760 65.4320 -21.8490 O.2 12 GLN612 0.0000 203 NE2 13.3610 63.2170 -21.6400 N.am 12 GLN612 0.0000 204 HE21 14.2857 63.0777 -21.2583 H 12 GLN612 0.0000 205 HE22 12.7417 62.4288 -21.7636 H 12 GLN612 0.0000 206 N 8.5280 65.6310 -21.3600 N.am 13 VAL613 0.0000 BACKBONE 207 H 8.1189 64.9936 -22.0281 H 13 VAL613 0.0000 BACKBONE 208 CA 8.1700 65.5010 -19.9540 C.3 13 VAL613 0.0000 BACKBONE 209 HA 8.7117 66.2525 -19.3796 H 13 VAL613 0.0000 BACKBONE 210 C 8.5550 64.1030 -19.5030 C.2 13 VAL613 0.0000 BACKBONE 211 O 8.4580 63.1420 -20.2740 O.2 13 VAL613 0.0000 BACKBONE 212 CB 6.6750 65.7790 -19.6910 C.3 13 VAL613 0.0000 213 HB 6.5172 65.7990 -18.6127 H 13 VAL613 0.0000 214 CG1 6.2870 67.1220 -20.2720 C.3 13 VAL613 0.0000 215 HG11 6.4422 67.1097 -21.3508 H 13 VAL613 0.0000 216 HG12 6.9027 67.9027 -19.8253 H 13 VAL613 0.0000 217 HG13 5.2368 67.3206 -20.0582 H 13 VAL613 0.0000 218 CG2 5.8060 64.6860 -20.2630 C.3 13 VAL613 0.0000 219 HG21 5.9425 64.6414 -21.3435 H 13 VAL613 0.0000 220 HG22 4.7608 64.8972 -20.0372 H 13 VAL613 0.0000 221 HG23 6.0870 63.7299 -19.8215 H 13 VAL613 0.0000 222 N 9.0290 63.9980 -18.2680 N.am 14 GLU614 0.0000 BACKBONE 223 H 9.0727 64.8236 -17.6878 H 14 GLU614 0.0000 BACKBONE 224 CA 9.4870 62.7300 -17.7260 C.3 14 GLU614 0.0000 BACKBONE 225 HA 9.4279 61.9679 -18.5031 H 14 GLU614 0.0000 BACKBONE 226 C 8.5900 62.3270 -16.5670 C.2 14 GLU614 0.0000 BACKBONE 227 O 8.2760 63.1520 -15.7040 O.2 14 GLU614 0.0000 BACKBONE 228 CB 10.9530 62.8140 -17.2880 C.3 14 GLU614 0.0000 229 HB2 11.5800 62.5424 -18.1372 H 14 GLU614 0.0000 230 HB3 11.1096 62.1015 -16.4781 H 14 GLU614 0.0000 231 CG 11.3760 64.1840 -16.8040 C.3 14 GLU614 0.0000 232 HG2 10.9348 64.3581 -15.8226 H 14 GLU614 0.0000 233 HG3 11.0060 64.9310 -17.5063 H 14 GLU614 0.0000 234 CD 12.8820 64.3290 -16.6910 C.2 14 GLU614 0.0000 235 OE1 13.5090 63.5240 -15.9690 O.co2 14 GLU614 -0.5000 236 OE2 13.4380 65.2530 -17.3250 O.co2 14 GLU614 -0.5000 237 N 8.1580 61.0700 -16.5750 N.am 15 LEU615 0.0000 BACKBONE 238 H 8.3548 60.4843 -17.3740 H 15 LEU615 0.0000 BACKBONE 239 CA 7.4080 60.5210 -15.4570 C.3 15 LEU615 0.0000 BACKBONE 240 HA 6.6200 61.2244 -15.1880 H 15 LEU615 0.0000 BACKBONE 241 C 8.3250 60.3200 -14.2600 C.2 15 LEU615 0.0000 BACKBONE 242 O 9.5060 59.9970 -14.4090 O.2 15 LEU615 0.0000 BACKBONE 243 CB 6.7710 59.1900 -15.8500 C.3 15 LEU615 0.0000 244 HB2 6.9410 58.4878 -15.0338 H 15 LEU615 0.0000 245 HB3 7.2764 58.8332 -16.7474 H 15 LEU615 0.0000 246 CG 5.2730 59.2110 -16.1390 C.3 15 LEU615 0.0000 247 HG 4.7359 59.4279 -15.2156 H 15 LEU615 0.0000 248 CD1 4.9560 60.2900 -17.1470 C.3 15 LEU615 0.0000 249 HD11 5.4870 60.0859 -18.0768 H 15 LEU615 0.0000 250 HD12 5.2694 61.2574 -16.7544 H 15 LEU615 0.0000 251 HD13 3.8829 60.3055 -17.3373 H 15 LEU615 0.0000 252 CD2 4.8230 57.8560 -16.6540 C.3 15 LEU615 0.0000 253 HD21 5.3521 57.6247 -17.5784 H 15 LEU615 0.0000 254 HD22 3.7501 57.8780 -16.8452 H 15 LEU615 0.0000 255 HD23 5.0436 57.0923 -15.9082 H 15 LEU615 0.0000 256 N 7.7750 60.5170 -13.0680 N.am 16 GLY616 0.0000 BACKBONE 257 H 6.8341 60.8791 -13.0079 H 16 GLY616 0.0000 BACKBONE 258 CA 8.5050 60.2200 -11.8510 C.3 16 GLY616 0.0000 BACKBONE 259 HA2 8.6189 61.1379 -11.2744 H 16 GLY616 0.0000 BACKBONE 260 HA3 9.4889 59.8323 -12.1149 H 16 GLY616 0.0000 BACKBONE 261 C 7.7840 59.1930 -11.0020 C.2 16 GLY616 0.0000 BACKBONE 262 O 6.9400 58.4460 -11.5100 O.2 16 GLY616 0.0000 BACKBONE 263 N 8.1010 59.1470 -9.7130 N.am 17 GLU617 0.0000 BACKBONE 264 H 8.7731 59.7984 -9.3334 H 17 GLU617 0.0000 BACKBONE 265 CA 7.4790 58.1580 -8.8510 C.3 17 GLU617 0.0000 BACKBONE 266 HA 7.6695 57.1679 -9.2651 H 17 GLU617 0.0000 BACKBONE 267 C 5.9720 58.3970 -8.7920 C.2 17 GLU617 0.0000 BACKBONE 268 O 5.5220 59.5480 -8.8310 O.2 17 GLU617 0.0000 BACKBONE 269 CB 8.0770 58.2110 -7.4430 C.3 17 GLU617 0.0000 270 HB2 7.5143 57.5271 -6.8076 H 17 GLU617 0.0000 271 HB3 7.9710 59.2280 -7.0655 H 17 GLU617 0.0000 272 CG 9.5560 57.8250 -7.3700 C.3 17 GLU617 0.0000 273 HG2 9.8053 57.6066 -6.3316 H 17 GLU617 0.0000 274 HG3 10.1511 58.6699 -7.7165 H 17 GLU617 0.0000 275 CD 9.9060 56.6080 -8.2170 C.2 17 GLU617 0.0000 276 OE1 10.9390 56.6550 -8.9190 O.co2 17 GLU617 -0.5000 277 OE2 9.1660 55.6010 -8.1720 O.co2 17 GLU617 -0.5000 278 N 5.1660 57.3390 -8.7460 N.am 18 PRO618 0.0000 BACKBONE 279 CA 3.7440 57.5250 -8.4590 C.3 18 PRO618 0.0000 BACKBONE 280 HA 3.2601 58.2754 -9.0842 H 18 PRO618 0.0000 BACKBONE 281 C 3.5650 58.0030 -7.0300 C.2 18 PRO618 0.0000 BACKBONE 282 O 4.4280 57.8020 -6.1710 O.2 18 PRO618 0.0000 BACKBONE 283 CB 3.1490 56.1310 -8.6790 C.3 18 PRO618 0.0000 284 HB2 2.7895 56.0213 -9.7021 H 18 PRO618 0.0000 285 HB3 2.3296 55.9464 -7.9842 H 18 PRO618 0.0000 286 CG 4.2780 55.2080 -8.4170 C.3 18 PRO618 0.0000 287 HG2 4.1373 54.2735 -8.9601 H 18 PRO618 0.0000 288 HG3 4.3574 54.9998 -7.3500 H 18 PRO618 0.0000 289 CD 5.5150 55.9170 -8.9060 C.3 18 PRO618 0.0000 290 HD2 6.3821 55.6556 -8.2994 H 18 PRO618 0.0000 291 HD3 5.7167 55.6781 -9.9502 H 18 PRO618 0.0000 292 N 2.4400 58.6690 -6.7840 N.am 19 ILE619 0.0000 BACKBONE 293 H 1.7334 58.7415 -7.5021 H 19 ILE619 0.0000 BACKBONE 294 CA 2.2190 59.2950 -5.4860 C.3 19 ILE619 0.0000 BACKBONE 295 HA 2.9094 58.8592 -4.7638 H 19 ILE619 0.0000 BACKBONE 296 C 0.8030 59.0200 -4.9990 C.2 19 ILE619 0.0000 BACKBONE 297 O 0.0710 59.9430 -4.6300 O.2 19 ILE619 0.0000 BACKBONE 298 CB 2.5140 60.8050 -5.5530 C.3 19 ILE619 0.0000 299 HB 2.0599 61.2801 -4.6834 H 19 ILE619 0.0000 300 CG1 1.8990 61.4130 -6.8100 C.3 19 ILE619 0.0000 301 HG12 0.8513 61.1166 -6.8606 H 19 ILE619 0.0000 302 HG13 2.4295 61.0223 -7.6784 H 19 ILE619 0.0000 303 CG2 4.0120 61.0710 -5.5000 C.3 19 ILE619 0.0000 304 HG21 4.4942 60.6063 -6.3600 H 19 ILE619 0.0000 305 HG22 4.4233 60.6512 -4.5820 H 19 ILE619 0.0000 306 HG23 4.1911 62.1460 -5.5200 H 19 ILE619 0.0000 307 CD1 1.9720 62.9120 -6.8420 C.3 19 ILE619 0.0000 308 HD11 1.4456 63.3199 -5.9791 H 19 ILE619 0.0000 309 HD12 1.5080 63.2789 -7.7575 H 19 ILE619 0.0000 310 HD13 3.0155 63.2257 -6.8126 H 19 ILE619 0.0000 311 N 0.4180 57.7570 -4.9750 N.am 20 GLY620 0.0000 BACKBONE 312 H 1.0435 57.0312 -5.2945 H 20 GLY620 0.0000 BACKBONE 313 CA -0.9020 57.4150 -4.4900 C.3 20 GLY620 0.0000 BACKBONE 314 HA2 -1.2800 58.2391 -3.8849 H 20 GLY620 0.0000 BACKBONE 315 HA3 -0.8307 56.5168 -3.8766 H 20 GLY620 0.0000 BACKBONE 316 C -1.8700 57.1570 -5.6270 C.2 20 GLY620 0.0000 BACKBONE 317 O -1.7330 57.6900 -6.7360 O.2 20 GLY620 0.0000 BACKBONE 318 N -2.8670 56.3230 -5.3520 N.am 21 GLN621 0.0000 BACKBONE 319 H -2.9579 55.9543 -4.4161 H 21 GLN621 0.0000 BACKBONE 320 CA -3.8300 55.9290 -6.3670 C.3 21 GLN621 0.0000 BACKBONE 321 HA -3.5466 56.4030 -7.3067 H 21 GLN621 0.0000 BACKBONE 322 C -5.2280 56.4050 -5.9870 C.2 21 GLN621 0.0000 BACKBONE 323 O -5.4640 56.9350 -4.8970 O.2 21 GLN621 0.0000 BACKBONE 324 CB -3.8130 54.4080 -6.5840 C.3 21 GLN621 0.0000 325 HB2 -4.5632 53.9589 -5.9331 H 21 GLN621 0.0000 326 HB3 -2.8260 54.0327 -6.3138 H 21 GLN621 0.0000 327 CG -4.1110 53.9900 -8.0250 C.3 21 GLN621 0.0000 328 HG2 -3.8162 54.8012 -8.6907 H 21 GLN621 0.0000 329 HG3 -5.1820 53.8119 -8.1213 H 21 GLN621 0.0000 330 CD -3.3720 52.7320 -8.4380 C.2 21 GLN621 0.0000 331 OE1 -2.5590 52.2060 -7.6800 O.2 21 GLN621 0.0000 332 NE2 -3.6430 52.2500 -9.6490 N.am 21 GLN621 0.0000 333 HE21 -3.1729 51.4191 -9.9786 H 21 GLN621 0.0000 334 HE22 -4.3187 52.7152 -10.2381 H 21 GLN621 0.0000 335 N -6.1470 56.2190 -6.9260 N.am 22 GLY622 0.0000 BACKBONE 336 H -5.8672 55.8162 -7.8089 H 22 GLY622 0.0000 BACKBONE 337 CA -7.5350 56.5730 -6.7290 C.3 22 GLY622 0.0000 BACKBONE 338 HA2 -7.6359 57.6583 -6.7384 H 22 GLY622 0.0000 BACKBONE 339 HA3 -7.8740 56.1849 -5.7685 H 22 GLY622 0.0000 BACKBONE 340 C -8.3790 55.9820 -7.8340 C.2 22 GLY622 0.0000 BACKBONE 341 O -7.8890 55.2330 -8.6820 O.2 22 GLY622 0.0000 BACKBONE 342 N -9.6700 56.3270 -7.8130 N.am 23 ARG623 0.0000 BACKBONE 343 H -10.0230 56.9321 -7.0855 H 23 ARG623 0.0000 BACKBONE 344 CA -10.5660 55.8230 -8.8490 C.3 23 ARG623 0.0000 BACKBONE 345 HA -10.5011 54.7349 -8.8517 H 23 ARG623 0.0000 BACKBONE 346 C -10.1450 56.3100 -10.2310 C.2 23 ARG623 0.0000 BACKBONE 347 O -10.4170 55.6380 -11.2360 O.2 23 ARG623 0.0000 BACKBONE 348 CB -12.0150 56.2200 -8.5440 C.3 23 ARG623 0.0000 349 HB2 -12.0700 57.3084 -8.5248 H 23 ARG623 0.0000 350 HB3 -12.2734 55.8257 -7.5612 H 23 ARG623 0.0000 351 CG -13.0600 55.7070 -9.5540 C.3 23 ARG623 0.0000 352 HG2 -12.9140 56.2299 -10.4992 H 23 ARG623 0.0000 353 HG3 -14.0543 55.9284 -9.1661 H 23 ARG623 0.0000 354 CD -12.9620 54.1960 -9.8120 C.3 23 ARG623 0.0000 355 HD2 -13.2138 53.6679 -8.8923 H 23 ARG623 0.0000 356 HD3 -11.9382 53.9568 -10.0997 H 23 ARG623 0.0000 357 NE -13.8660 53.7450 -10.8750 N.pl3 23 ARG623 0.0000 358 HE -14.8268 53.5571 -10.6266 H 23 ARG623 0.0000 359 CZ -13.5080 53.5660 -12.1450 C.cat 23 ARG623 1.0000 360 NH1 -12.2610 53.8030 -12.5250 N.pl3 23 ARG623 0.0000 361 HH11 -11.9931 53.6700 -13.4897 H 23 ARG623 0.0000 362 HH12 -11.5783 54.1167 -11.8500 H 23 ARG623 0.0000 363 NH2 -14.3970 53.1540 -13.0410 N.pl3 23 ARG623 0.0000 364 HH21 -14.1206 53.0236 -14.0036 H 23 ARG623 0.0000 365 HH22 -15.3497 52.9710 -12.7599 H 23 ARG623 0.0000 366 N -9.4410 57.4390 -10.2950 N.am 24 TRP624 0.0000 BACKBONE 367 H -9.1265 57.8564 -9.4307 H 24 TRP624 0.0000 BACKBONE 368 CA -9.1000 58.1050 -11.5490 C.3 24 TRP624 0.0000 BACKBONE 369 HA -9.6389 57.6491 -12.3796 H 24 TRP624 0.0000 BACKBONE 370 C -7.6040 57.9440 -11.7900 C.2 24 TRP624 0.0000 BACKBONE 371 O -6.7860 58.7950 -11.4250 O.2 24 TRP624 0.0000 BACKBONE 372 CB -9.5150 59.5450 -11.5100 C.3 24 TRP624 0.0000 373 HB2 -9.3994 59.9706 -12.5068 H 24 TRP624 0.0000 374 HB3 -8.8701 60.0772 -10.8107 H 24 TRP624 0.0000 375 CG -10.9330 59.7120 -11.0780 C.2 24 TRP624 0.0000 376 CD1 -11.3840 59.9470 -9.8100 C.2 24 TRP624 0.0000 377 HD1 -10.7544 60.0500 -8.9386 H 24 TRP624 0.0000 378 CD2 -12.0960 59.6400 -11.9110 C.ar 24 TRP624 0.0000 379 NE1 -12.7530 60.0330 -9.8050 N.pl3 24 TRP624 0.0000 380 HE1 -13.3272 60.2029 -8.9916 H 24 TRP624 0.0000 381 CE2 -13.2160 59.8510 -11.0830 C.ar 24 TRP624 0.0000 382 CE3 -12.2990 59.4270 -13.2800 C.ar 24 TRP624 0.0000 383 HE3 -11.4611 59.2650 -13.9419 H 24 TRP624 0.0000 384 CZ2 -14.5230 59.8510 -11.5790 C.ar 24 TRP624 0.0000 385 HZ2 -15.3691 60.0122 -10.9275 H 24 TRP624 0.0000 386 CZ3 -13.5970 59.4280 -13.7700 C.ar 24 TRP624 0.0000 387 HZ3 -13.7665 59.2632 -14.8238 H 24 TRP624 0.0000 388 CH2 -14.6910 59.6390 -12.9220 C.ar 24 TRP624 0.0000 389 HH2 -15.6887 59.6345 -13.3355 H 24 TRP624 0.0000 390 N -7.2590 56.8240 -12.4180 N.am 25 GLY625 0.0000 BACKBONE 391 H -8.0043 56.1752 -12.6270 H 25 GLY625 0.0000 BACKBONE 392 CA -5.9460 56.4420 -12.8280 C.3 25 GLY625 0.0000 BACKBONE 393 HA2 -5.6636 57.0476 -13.6892 H 25 GLY625 0.0000 BACKBONE 394 HA3 -5.9662 55.3904 -13.1142 H 25 GLY625 0.0000 BACKBONE 395 C -4.8940 56.6260 -11.7440 C.2 25 GLY625 0.0000 BACKBONE 396 O -5.1580 56.6290 -10.5290 O.2 25 GLY625 0.0000 BACKBONE 397 N -3.6680 56.7770 -12.2240 N.am 26 ARG626 0.0000 BACKBONE 398 H -3.5511 56.8298 -13.2258 H 26 ARG626 0.0000 BACKBONE 399 CA -2.4800 56.8710 -11.3870 C.3 26 ARG626 0.0000 BACKBONE 400 HA -2.7709 56.7702 -10.3414 H 26 ARG626 0.0000 BACKBONE 401 C -1.8270 58.2250 -11.6060 C.2 26 ARG626 0.0000 BACKBONE 402 O -1.5350 58.6020 -12.7430 O.2 26 ARG626 0.0000 BACKBONE 403 CB -1.4940 55.7400 -11.7020 C.3 26 ARG626 0.0000 404 HB2 -0.8911 55.5528 -10.8134 H 26 ARG626 0.0000 405 HB3 -0.8480 56.0650 -12.5176 H 26 ARG626 0.0000 406 CG -2.1660 54.4290 -12.1130 C.3 26 ARG626 0.0000 407 HG2 -3.0428 54.6581 -12.7187 H 26 ARG626 0.0000 408 HG3 -2.4748 53.8953 -11.2141 H 26 ARG626 0.0000 409 CD -1.2330 53.5360 -12.9180 C.3 26 ARG626 0.0000 410 HD2 -1.6432 52.5264 -12.9403 H 26 ARG626 0.0000 411 HD3 -0.2558 53.5206 -12.4353 H 26 ARG626 0.0000 412 NE -1.0750 54.0130 -14.2910 N.pl3 26 ARG626 0.0000 413 HE -1.4600 54.9165 -14.5268 H 26 ARG626 0.0000 414 CZ -0.4550 53.3290 -15.2480 C.cat 26 ARG626 1.0000 415 NH1 0.0780 52.1450 -14.9740 N.pl3 26 ARG626 0.0000 416 HH11 0.5471 51.6222 -15.6998 H 26 ARG626 0.0000 417 HH12 0.0146 51.7667 -14.0397 H 26 ARG626 0.0000 418 NH2 -0.3710 53.8240 -16.4740 N.pl3 26 ARG626 0.0000 419 HH21 0.0983 53.3003 -17.1990 H 26 ARG626 0.0000 420 HH22 -0.7763 54.7250 -16.6837 H 26 ARG626 0.0000 421 N -1.6160 58.9510 -10.5180 N.am 27 VAL627 0.0000 BACKBONE 422 H -1.8974 58.5718 -9.6252 H 27 VAL627 0.0000 BACKBONE 423 CA -0.9990 60.2670 -10.5470 C.3 27 VAL627 0.0000 BACKBONE 424 HA -1.1414 60.7136 -11.5311 H 27 VAL627 0.0000 BACKBONE 425 C 0.4850 60.1060 -10.2650 C.2 27 VAL627 0.0000 BACKBONE 426 O 0.8790 59.5870 -9.2120 O.2 27 VAL627 0.0000 BACKBONE 427 CB -1.6550 61.2170 -9.5350 C.3 27 VAL627 0.0000 428 HB -1.8350 60.6710 -8.6089 H 27 VAL627 0.0000 429 CG1 -0.7380 62.3850 -9.2250 C.3 27 VAL627 0.0000 430 HG11 -0.5437 62.9468 -10.1386 H 27 VAL627 0.0000 431 HG12 0.2029 62.0111 -8.8214 H 27 VAL627 0.0000 432 HG13 -1.2143 63.0364 -8.4923 H 27 VAL627 0.0000 433 CG2 -2.9820 61.7160 -10.0800 C.3 27 VAL627 0.0000 434 HG21 -2.8113 62.2636 -11.0069 H 27 VAL627 0.0000 435 HG22 -3.4500 62.3756 -9.3492 H 27 VAL627 0.0000 436 HG23 -3.6371 60.8669 -10.2750 H 27 VAL627 0.0000 437 N 1.3090 60.5430 -11.2060 N.am 28 HIS628 0.0000 BACKBONE 438 H 0.9180 60.8990 -12.0665 H 28 HIS628 0.0000 BACKBONE 439 CA 2.7530 60.5300 -11.0480 C.3 28 HIS628 0.0000 BACKBONE 440 HA 2.9706 59.9453 -10.1542 H 28 HIS628 0.0000 BACKBONE 441 C 3.2840 61.9420 -10.8890 C.2 28 HIS628 0.0000 BACKBONE 442 O 2.8420 62.8670 -11.5760 O.2 28 HIS628 0.0000 BACKBONE 443 CB 3.4420 59.8840 -12.2450 C.3 28 HIS628 0.0000 444 HB2 4.5156 60.0489 -12.1539 H 28 HIS628 0.0000 445 HB3 3.0764 60.3644 -13.1525 H 28 HIS628 0.0000 446 CG 3.2000 58.4190 -12.3590 C.2 28 HIS628 0.0000 447 ND1 4.1100 57.4830 -11.9220 N.2 28 HIS628 0.0000 448 CD2 2.1640 57.7270 -12.8860 C.2 28 HIS628 0.0000 449 HD2 1.2738 58.1448 -13.3325 H 28 HIS628 0.0000 450 CE1 3.6360 56.2730 -12.1580 C.2 28 HIS628 0.0000 451 HE1 4.1274 55.3432 -11.9123 H 28 HIS628 0.0000 452 NE2 2.4580 56.3930 -12.7460 N.pl3 28 HIS628 0.0000 453 HE2 1.8699 55.6278 -13.0438 H 28 HIS628 0.0000 454 N 4.2470 62.0970 -9.9910 N.am 29 ARG629 0.0000 BACKBONE 455 H 4.4023 61.3888 -9.2878 H 29 ARG629 0.0000 BACKBONE 456 CA 5.0760 63.2850 -10.0210 C.3 29 ARG629 0.0000 BACKBONE 457 HA 4.4600 64.1841 -10.0344 H 29 ARG629 0.0000 BACKBONE 458 C 5.9220 63.2490 -11.2880 C.2 29 ARG629 0.0000 BACKBONE 459 O 6.1860 62.1870 -11.8530 O.2 29 ARG629 0.0000 BACKBONE 460 CB 5.9410 63.3470 -8.7660 C.3 29 ARG629 0.0000 461 HB2 6.7078 62.5766 -8.8467 H 29 ARG629 0.0000 462 HB3 5.3040 63.1371 -7.9068 H 29 ARG629 0.0000 463 CG 6.6290 64.6660 -8.5250 C.3 29 ARG629 0.0000 464 HG2 5.9039 65.4745 -8.6178 H 29 ARG629 0.0000 465 HG3 7.4203 64.8013 -9.2623 H 29 ARG629 0.0000 466 CD 7.2300 64.6860 -7.1320 C.3 29 ARG629 0.0000 467 HD2 7.9274 63.8536 -7.0374 H 29 ARG629 0.0000 468 HD3 6.4290 64.5737 -6.4013 H 29 ARG629 0.0000 469 NE 7.9420 65.9300 -6.8630 N.pl3 29 ARG629 0.0000 470 HE 8.1066 66.5590 -7.6359 H 29 ARG629 0.0000 471 CZ 8.3870 66.2860 -5.6640 C.cat 29 ARG629 1.0000 472 NH1 8.1760 65.5010 -4.6170 N.pl3 29 ARG629 0.0000 473 HH11 8.4981 65.7822 -3.7020 H 29 ARG629 0.0000 474 HH12 7.6931 64.6217 -4.7343 H 29 ARG629 0.0000 475 NH2 9.0210 67.4390 -5.5060 N.pl3 29 ARG629 0.0000 476 HH21 9.3419 67.7174 -4.5897 H 29 ARG629 0.0000 477 HH22 9.1833 68.0393 -6.3019 H 29 ARG629 0.0000 478 N 6.3020 64.4210 -11.7720 N.am 30 GLY630 0.0000 BACKBONE 479 H 6.0795 65.2719 -11.2755 H 30 GLY630 0.0000 BACKBONE 480 CA 7.0400 64.4760 -13.0200 C.3 30 GLY630 0.0000 BACKBONE 481 HA2 6.3567 64.3308 -13.8567 H 30 GLY630 0.0000 BACKBONE 482 HA3 7.7997 63.6944 -13.0315 H 30 GLY630 0.0000 BACKBONE 483 C 7.7000 65.8260 -13.1330 C.2 30 GLY630 0.0000 BACKBONE 484 O 7.4160 66.7400 -12.3580 O.2 30 GLY630 0.0000 BACKBONE 485 N 8.6010 65.9450 -14.1050 N.am 31 ARG631 0.0000 BACKBONE 486 H 8.8421 65.1331 -14.6552 H 31 ARG631 0.0000 BACKBONE 487 CA 9.2480 67.2170 -14.3950 C.3 31 ARG631 0.0000 BACKBONE 488 HA 8.8613 67.9560 -13.6933 H 31 ARG631 0.0000 BACKBONE 489 C 8.9240 67.6380 -15.8170 C.2 31 ARG631 0.0000 BACKBONE 490 O 9.1190 66.8700 -16.7650 O.2 31 ARG631 0.0000 BACKBONE 491 CB 10.7660 67.1570 -14.1890 C.3 31 ARG631 0.0000 492 HB2 11.1840 68.1275 -14.4563 H 31 ARG631 0.0000 493 HB3 11.1692 66.3924 -14.8531 H 31 ARG631 0.0000 494 CG 11.2020 66.8270 -12.7620 C.3 31 ARG631 0.0000 495 HG2 10.5739 66.0259 -12.3723 H 31 ARG631 0.0000 496 HG3 11.0877 67.7140 -12.1389 H 31 ARG631 0.0000 497 CD 12.6510 66.3820 -12.7330 C.3 31 ARG631 0.0000 498 HD2 12.8101 65.6196 -13.4956 H 31 ARG631 0.0000 499 HD3 12.8822 65.9680 -11.7515 H 31 ARG631 0.0000 500 NE 13.5280 67.5220 -12.9970 N.pl3 31 ARG631 0.0000 501 HE 13.8501 67.6565 -13.9448 H 31 ARG631 0.0000 502 CZ 13.9320 68.3950 -12.0770 C.cat 31 ARG631 1.0000 503 NH1 13.5540 68.2690 -10.8100 N.pl3 31 ARG631 0.0000 504 HH11 13.8667 68.9378 -10.1208 H 31 ARG631 0.0000 505 HH12 12.9539 67.5043 -10.5357 H 31 ARG631 0.0000 506 NH2 14.7200 69.4020 -12.4280 N.pl3 31 ARG631 0.0000 507 HH21 15.0290 70.0672 -11.7336 H 31 ARG631 0.0000 508 HH22 15.0113 69.5038 -13.3897 H 31 ARG631 0.0000 509 N 8.4120 68.8510 -15.9550 N.am 32 TRP632 0.0000 BACKBONE 510 H 8.0724 69.3391 -15.1386 H 32 TRP632 0.0000 BACKBONE 511 CA 8.3280 69.4920 -17.2460 C.3 32 TRP632 0.0000 BACKBONE 512 HA 7.8618 68.8329 -17.9784 H 32 TRP632 0.0000 BACKBONE 513 C 9.7460 69.8230 -17.6820 C.2 32 TRP632 0.0000 BACKBONE 514 H 10.3617 69.0466 -18.1116 H 32 TRP632 0.0000 BACKBONE 515 O 10.2070 70.9560 -17.5560 O.2 32 TRP632 0.0000 BACKBONE 516 CB 7.4540 70.7430 -17.1680 C.3 32 TRP632 0.0000 517 HB2 8.0048 71.5143 -16.6296 H 32 TRP632 0.0000 518 HB3 6.5460 70.4945 -16.6186 H 32 TRP632 0.0000 519 CG 7.0650 71.2850 -18.4960 C.2 32 TRP632 0.0000 520 CD1 7.7520 72.2080 -19.2270 C.2 32 TRP632 0.0000 521 HD1 8.6785 72.6715 -18.9219 H 32 TRP632 0.0000 522 CD2 5.9140 70.9310 -19.2790 C.ar 32 TRP632 0.0000 523 NE1 7.0980 72.4640 -20.4060 N.pl3 32 TRP632 0.0000 524 HE1 7.4010 73.1156 -21.1158 H 32 TRP632 0.0000 525 CE2 5.9670 71.6920 -20.4640 C.ar 32 TRP632 0.0000 526 CE3 4.8400 70.0530 -19.0920 C.ar 32 TRP632 0.0000 527 HE3 4.7664 69.4559 -18.1951 H 32 TRP632 0.0000 528 CZ2 4.9910 71.5960 -21.4610 C.ar 32 TRP632 0.0000 529 HZ2 5.0566 72.1820 -22.3658 H 32 TRP632 0.0000 530 CZ3 3.8690 69.9650 -20.0850 C.ar 32 TRP632 0.0000 531 HZ3 3.0362 69.2900 -19.9539 H 32 TRP632 0.0000 532 CH2 3.9520 70.7350 -21.2500 C.ar 32 TRP632 0.0000 533 HH2 3.1782 70.6468 -21.9983 H 32 TRP632 0.0000 @BOND 1 1 2 1 BACKBONE 2 1 3 1 BACKBONE 3 1 4 1 BACKBONE 4 1 5 1 BACKBONE 5 5 6 1 BACKBONE 6 5 7 1 BACKBONE 7 5 9 1 8 7 8 2 BACKBONE 9 7 13 am BACKBONE|INTERRES 10 9 10 1 11 9 11 1 12 9 12 1 13 13 14 1 BACKBONE 14 13 15 1 BACKBONE 15 15 16 1 BACKBONE 16 15 17 1 BACKBONE 17 15 19 1 18 17 18 2 BACKBONE 19 17 34 am BACKBONE|INTERRES 20 19 20 1 21 19 21 1 22 19 22 1 23 22 23 ar 24 22 25 ar 25 23 24 1 26 23 27 ar 27 25 26 1 28 25 29 ar 29 27 28 1 30 27 31 ar 31 29 30 1 32 29 31 ar 33 31 32 1 34 32 33 1 35 34 35 1 BACKBONE 36 34 36 1 BACKBONE 37 36 37 1 BACKBONE 38 36 38 1 BACKBONE 39 36 40 1 40 38 39 2 BACKBONE 41 38 53 am BACKBONE|INTERRES 42 40 41 1 43 40 42 1 44 40 43 1 45 43 44 1 46 43 45 1 47 43 49 1 48 45 46 1 49 45 47 1 50 45 48 1 51 49 50 1 52 49 51 1 53 49 52 1 54 53 54 1 BACKBONE 55 53 55 1 BACKBONE 56 55 56 1 BACKBONE 57 55 57 1 BACKBONE 58 55 59 1 59 57 58 2 BACKBONE 60 57 70 am BACKBONE|INTERRES 61 59 60 1 62 59 61 1 63 59 62 1 64 62 63 1 65 62 64 1 66 62 65 1 67 65 66 2 68 65 67 am 69 67 68 1 70 67 69 1 71 70 71 1 BACKBONE 72 70 72 1 BACKBONE 73 72 73 1 BACKBONE 74 72 74 1 BACKBONE 75 72 76 1 76 74 75 2 BACKBONE 77 74 85 am BACKBONE|INTERRES 78 76 77 1 79 76 78 1 80 76 79 1 81 79 80 1 82 79 81 1 83 79 82 1 84 82 83 ar 85 82 84 ar 86 85 86 1 BACKBONE 87 85 87 1 BACKBONE 88 87 88 1 BACKBONE 89 87 89 1 BACKBONE 90 87 91 1 91 89 90 2 BACKBONE 92 89 109 am BACKBONE|INTERRES 93 91 92 1 94 91 93 1 95 91 94 1 96 94 95 2 97 94 97 1 98 95 96 1 99 95 98 1 100 97 100 ar 101 97 101 ar 102 98 99 1 103 98 100 1 104 100 103 ar 105 101 102 1 106 101 105 ar 107 103 104 1 108 103 107 ar 109 105 106 1 110 105 107 ar 111 107 108 1 112 109 110 1 BACKBONE 113 109 111 1 BACKBONE 114 111 112 1 BACKBONE 115 111 113 1 BACKBONE 116 111 115 1 117 113 114 2 BACKBONE 118 113 121 am BACKBONE|INTERRES 119 115 116 1 120 115 117 1 121 115 118 1 122 118 119 ar 123 118 120 ar 124 121 122 1 BACKBONE 125 121 123 1 BACKBONE 126 123 124 1 BACKBONE 127 123 125 1 BACKBONE 128 123 127 1 129 125 126 2 BACKBONE 130 125 140 am BACKBONE|INTERRES 131 127 128 1 132 127 129 1 133 127 132 1 134 129 130 1 135 129 131 1 136 129 136 1 137 132 133 1 138 132 134 1 139 132 135 1 140 136 137 1 141 136 138 1 142 136 139 1 143 140 141 1 BACKBONE 144 140 151 1 145 141 142 1 BACKBONE 146 141 143 1 BACKBONE 147 141 145 1 148 143 144 2 BACKBONE 149 143 154 am BACKBONE|INTERRES 150 145 146 1 151 145 147 1 152 145 148 1 153 148 149 1 154 148 150 1 155 148 151 1 156 151 152 1 157 151 153 1 158 154 155 1 BACKBONE 159 154 156 1 BACKBONE 160 156 157 1 BACKBONE 161 156 158 1 BACKBONE 162 156 160 1 163 158 159 2 BACKBONE 164 158 174 am BACKBONE|INTERRES 165 160 161 1 166 160 162 1 167 160 163 1 168 163 164 ar 169 163 166 ar 170 164 165 1 171 164 168 ar 172 166 167 1 173 166 170 ar 174 168 169 1 175 168 172 ar 176 170 171 1 177 170 172 ar 178 172 173 1 179 174 175 1 BACKBONE 180 174 176 1 BACKBONE 181 176 177 1 BACKBONE 182 176 178 1 BACKBONE 183 176 180 1 184 178 179 2 BACKBONE 185 178 189 am BACKBONE|INTERRES 186 180 181 1 187 180 182 1 188 180 183 1 189 183 184 1 190 183 185 1 191 183 186 1 192 186 187 ar 193 186 188 ar 194 189 190 1 BACKBONE 195 189 191 1 BACKBONE 196 191 192 1 BACKBONE 197 191 193 1 BACKBONE 198 191 195 1 199 193 194 2 BACKBONE 200 193 206 am BACKBONE|INTERRES 201 195 196 1 202 195 197 1 203 195 198 1 204 198 199 1 205 198 200 1 206 198 201 1 207 201 202 2 208 201 203 am 209 203 204 1 210 203 205 1 211 206 207 1 BACKBONE 212 206 208 1 BACKBONE 213 208 209 1 BACKBONE 214 208 210 1 BACKBONE 215 208 212 1 216 210 211 2 BACKBONE 217 210 222 am BACKBONE|INTERRES 218 212 213 1 219 212 214 1 220 212 218 1 221 214 215 1 222 214 216 1 223 214 217 1 224 218 219 1 225 218 220 1 226 218 221 1 227 222 223 1 BACKBONE 228 222 224 1 BACKBONE 229 224 225 1 BACKBONE 230 224 226 1 BACKBONE 231 224 228 1 232 226 227 2 BACKBONE 233 226 237 am BACKBONE|INTERRES 234 228 229 1 235 228 230 1 236 228 231 1 237 231 232 1 238 231 233 1 239 231 234 1 240 234 235 ar 241 234 236 ar 242 237 238 1 BACKBONE 243 237 239 1 BACKBONE 244 239 240 1 BACKBONE 245 239 241 1 BACKBONE 246 239 243 1 247 241 242 2 BACKBONE 248 241 256 am BACKBONE|INTERRES 249 243 244 1 250 243 245 1 251 243 246 1 252 246 247 1 253 246 248 1 254 246 252 1 255 248 249 1 256 248 250 1 257 248 251 1 258 252 253 1 259 252 254 1 260 252 255 1 261 256 257 1 BACKBONE 262 256 258 1 BACKBONE 263 258 259 1 BACKBONE 264 258 260 1 BACKBONE 265 258 261 1 BACKBONE 266 261 262 2 BACKBONE 267 261 263 am BACKBONE|INTERRES 268 263 264 1 BACKBONE 269 263 265 1 BACKBONE 270 265 266 1 BACKBONE 271 265 267 1 BACKBONE 272 265 269 1 273 267 268 2 BACKBONE 274 267 278 am BACKBONE|INTERRES 275 269 270 1 276 269 271 1 277 269 272 1 278 272 273 1 279 272 274 1 280 272 275 1 281 275 276 ar 282 275 277 ar 283 278 279 1 BACKBONE 284 278 289 1 285 279 280 1 BACKBONE 286 279 281 1 BACKBONE 287 279 283 1 288 281 282 2 BACKBONE 289 281 292 am BACKBONE|INTERRES 290 283 284 1 291 283 285 1 292 283 286 1 293 286 287 1 294 286 288 1 295 286 289 1 296 289 290 1 297 289 291 1 298 292 293 1 BACKBONE 299 292 294 1 BACKBONE 300 294 295 1 BACKBONE 301 294 296 1 BACKBONE 302 294 298 1 303 296 297 2 BACKBONE 304 296 311 am BACKBONE|INTERRES 305 298 299 1 306 298 300 1 307 298 303 1 308 300 301 1 309 300 302 1 310 300 307 1 311 303 304 1 312 303 305 1 313 303 306 1 314 307 308 1 315 307 309 1 316 307 310 1 317 311 312 1 BACKBONE 318 311 313 1 BACKBONE 319 313 314 1 BACKBONE 320 313 315 1 BACKBONE 321 313 316 1 BACKBONE 322 316 317 2 BACKBONE 323 316 318 am BACKBONE|INTERRES 324 318 319 1 BACKBONE 325 318 320 1 BACKBONE 326 320 321 1 BACKBONE 327 320 322 1 BACKBONE 328 320 324 1 329 322 323 2 BACKBONE 330 322 335 am BACKBONE|INTERRES 331 324 325 1 332 324 326 1 333 324 327 1 334 327 328 1 335 327 329 1 336 327 330 1 337 330 331 2 338 330 332 am 339 332 333 1 340 332 334 1 341 335 336 1 BACKBONE 342 335 337 1 BACKBONE 343 337 338 1 BACKBONE 344 337 339 1 BACKBONE 345 337 340 1 BACKBONE 346 340 341 2 BACKBONE 347 340 342 am BACKBONE|INTERRES 348 342 343 1 BACKBONE 349 342 344 1 BACKBONE 350 344 345 1 BACKBONE 351 344 346 1 BACKBONE 352 344 348 1 353 346 347 2 BACKBONE 354 346 366 am BACKBONE|INTERRES 355 348 349 1 356 348 350 1 357 348 351 1 358 351 352 1 359 351 353 1 360 351 354 1 361 354 355 1 362 354 356 1 363 354 357 1 364 357 358 1 365 357 359 ar 366 359 360 ar 367 359 363 ar 368 360 361 1 369 360 362 1 370 363 364 1 371 363 365 1 372 366 367 1 BACKBONE 373 366 368 1 BACKBONE 374 368 369 1 BACKBONE 375 368 370 1 BACKBONE 376 368 372 1 377 370 371 2 BACKBONE 378 370 390 am BACKBONE|INTERRES 379 372 373 1 380 372 374 1 381 372 375 1 382 375 376 2 383 375 378 1 384 376 377 1 385 376 379 1 386 378 381 ar 387 378 382 ar 388 379 380 1 389 379 381 1 390 381 384 ar 391 382 383 1 392 382 386 ar 393 384 385 1 394 384 388 ar 395 386 387 1 396 386 388 ar 397 388 389 1 398 390 391 1 BACKBONE 399 390 392 1 BACKBONE 400 392 393 1 BACKBONE 401 392 394 1 BACKBONE 402 392 395 1 BACKBONE 403 395 396 2 BACKBONE 404 395 397 am BACKBONE|INTERRES 405 397 398 1 BACKBONE 406 397 399 1 BACKBONE 407 399 400 1 BACKBONE 408 399 401 1 BACKBONE 409 399 403 1 410 401 402 2 BACKBONE 411 401 421 am BACKBONE|INTERRES 412 403 404 1 413 403 405 1 414 403 406 1 415 406 407 1 416 406 408 1 417 406 409 1 418 409 410 1 419 409 411 1 420 409 412 1 421 412 413 1 422 412 414 ar 423 414 415 ar 424 414 418 ar 425 415 416 1 426 415 417 1 427 418 419 1 428 418 420 1 429 421 422 1 BACKBONE 430 421 423 1 BACKBONE 431 423 424 1 BACKBONE 432 423 425 1 BACKBONE 433 423 427 1 434 425 426 2 BACKBONE 435 425 437 am BACKBONE|INTERRES 436 427 428 1 437 427 429 1 438 427 433 1 439 429 430 1 440 429 431 1 441 429 432 1 442 433 434 1 443 433 435 1 444 433 436 1 445 437 438 1 BACKBONE 446 437 439 1 BACKBONE 447 439 440 1 BACKBONE 448 439 441 1 BACKBONE 449 439 443 1 450 441 442 2 BACKBONE 451 441 454 am BACKBONE|INTERRES 452 443 444 1 453 443 445 1 454 443 446 1 455 446 447 1 456 446 448 2 457 447 450 2 458 448 449 1 459 448 452 1 460 450 451 1 461 450 452 1 462 452 453 1 463 454 455 1 BACKBONE 464 454 456 1 BACKBONE 465 456 457 1 BACKBONE 466 456 458 1 BACKBONE 467 456 460 1 468 458 459 2 BACKBONE 469 458 478 am BACKBONE|INTERRES 470 460 461 1 471 460 462 1 472 460 463 1 473 463 464 1 474 463 465 1 475 463 466 1 476 466 467 1 477 466 468 1 478 466 469 1 479 469 470 1 480 469 471 ar 481 471 472 ar 482 471 475 ar 483 472 473 1 484 472 474 1 485 475 476 1 486 475 477 1 487 478 479 1 BACKBONE 488 478 480 1 BACKBONE 489 480 481 1 BACKBONE 490 480 482 1 BACKBONE 491 480 483 1 BACKBONE 492 483 484 2 BACKBONE 493 483 485 am BACKBONE|INTERRES 494 485 486 1 BACKBONE 495 485 487 1 BACKBONE 496 487 488 1 BACKBONE 497 487 489 1 BACKBONE 498 487 491 1 499 489 490 2 BACKBONE 500 489 509 am BACKBONE|INTERRES 501 491 492 1 502 491 493 1 503 491 494 1 504 494 495 1 505 494 496 1 506 494 497 1 507 497 498 1 508 497 499 1 509 497 500 1 510 500 501 1 511 500 502 ar 512 502 503 ar 513 502 506 ar 514 503 504 1 515 503 505 1 516 506 507 1 517 506 508 1 518 509 510 1 BACKBONE 519 509 511 1 BACKBONE 520 511 512 1 BACKBONE 521 511 513 1 BACKBONE 522 511 516 1 523 513 514 1 BACKBONE 524 513 515 2 BACKBONE 525 516 517 1 526 516 518 1 527 516 519 1 528 519 520 2 529 519 522 1 530 520 521 1 531 520 523 1 532 522 525 ar 533 522 526 ar 534 523 524 1 535 523 525 1 536 525 528 ar 537 526 527 1 538 526 530 ar 539 528 529 1 540 528 532 ar 541 530 531 1 542 530 532 ar 543 532 533 1 @SUBSTRUCTURE 1 VAL601 5 RESIDUE 4 A VAL 1 2 TYR602 15 RESIDUE 4 A TYR 2 3 LEU603 36 RESIDUE 4 A LEU 2 4 GLN604 55 RESIDUE 4 A GLN 2 5 GLU605 72 RESIDUE 4 A GLU 2 6 TRP606 87 RESIDUE 4 A TRP 2 7 ASP607 111 RESIDUE 4 A ASP 2 8 ILE608 123 RESIDUE 4 A ILE 2 9 PRO609 141 RESIDUE 4 A PRO 2 10 PHE610 156 RESIDUE 4 A PHE 2 11 GLU611 176 RESIDUE 4 A GLU 2 12 GLN612 191 RESIDUE 4 A GLN 2 13 VAL613 208 RESIDUE 4 A VAL 2 14 GLU614 224 RESIDUE 4 A GLU 2 15 LEU615 239 RESIDUE 4 A LEU 2 16 GLY616 258 RESIDUE 4 A GLY 2 17 GLU617 265 RESIDUE 4 A GLU 2 18 PRO618 279 RESIDUE 4 A PRO 2 19 ILE619 294 RESIDUE 4 A ILE 2 20 GLY620 313 RESIDUE 4 A GLY 2 21 GLN621 320 RESIDUE 4 A GLN 2 22 GLY622 337 RESIDUE 4 A GLY 2 23 ARG623 344 RESIDUE 4 A ARG 2 24 TRP624 368 RESIDUE 4 A TRP 2 25 GLY625 392 RESIDUE 4 A GLY 2 26 ARG626 399 RESIDUE 4 A ARG 2 27 VAL627 423 RESIDUE 4 A VAL 2 28 HIS628 439 RESIDUE 4 A HIS 2 29 ARG629 456 RESIDUE 4 A ARG 2 30 GLY630 480 RESIDUE 4 A GLY 2 31 ARG631 487 RESIDUE 4 A ARG 2 32 TRP632 511 RESIDUE 4 A TRP 1 # MOE 2014.09 (io_trps.svl 2012.10)