#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 5I86_min 1916 1943 114 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N -82.9410 9.4360 12.4570 N.4 1 LYS1 -0.0641 2 H1 -83.6056 9.5067 11.6604 H 1 LYS1 0.2750 3 H2 -83.3087 9.9319 13.2923 H 1 LYS1 0.2750 4 H3 -82.8236 8.4220 12.6830 H 1 LYS1 0.2750 5 CA -81.6010 9.9790 12.0620 C.3 1 LYS1 0.1930 6 HA -81.7271 11.0231 11.7704 H 1 LYS1 0.0690 7 C -81.0140 9.2170 10.8750 C.2 1 LYS1 0.2315 8 O -80.9000 7.9960 10.8930 O.2 1 LYS1 -0.2773 9 CB -80.6633 9.8912 13.2907 C.3 1 LYS1 -0.0165 10 HB1 -80.8427 8.9285 13.7746 H 1 LYS1 0.0290 11 HB2 -80.9493 10.6410 14.0291 H 1 LYS1 0.0290 12 CG -79.1405 9.9593 13.0536 C.3 1 LYS1 -0.0491 13 HG1 -78.8414 9.2229 12.3088 H 1 LYS1 0.0266 14 HG2 -78.6701 9.6311 13.9818 H 1 LYS1 0.0266 15 CD -78.5370 11.3259 12.6888 C.3 1 LYS1 -0.0278 16 HD1 -78.9018 12.0892 13.3768 H 1 LYS1 0.0282 17 HD2 -78.8501 11.6169 11.6855 H 1 LYS1 0.0282 18 CE -77.0010 11.2452 12.7709 C.3 1 LYS1 0.1103 19 HE1 -76.6573 10.4629 12.0998 H 1 LYS1 0.0559 20 HE2 -76.7033 10.9575 13.7815 H 1 LYS1 0.0559 21 NZ -76.2523 12.4491 12.4227 N.4 1 LYS1 -0.0749 22 HZ1 -75.2545 12.3608 12.7128 H 1 LYS1 0.2742 23 HZ2 -76.6442 13.3008 12.8627 H 1 LYS1 0.2742 24 HZ3 -76.1714 12.5526 11.3889 H 1 LYS1 0.2742 25 N -80.6090 9.9760 9.8640 N.am 2 ILE2 -0.2450 26 H -80.8490 10.9670 9.8690 H 2 ILE2 0.1312 27 CA -79.8400 9.4510 8.7540 C.3 2 ILE2 0.0904 28 HA -79.8730 8.3576 8.7713 H 2 ILE2 0.0560 29 C -78.3990 9.8930 8.9400 C.2 2 ILE2 0.2189 30 O -78.1190 11.0830 8.9090 O.2 2 ILE2 -0.2778 31 CB -80.4230 9.9525 7.4127 C.3 2 ILE2 -0.0201 32 HB -80.3916 11.0431 7.4140 H 2 ILE2 0.0318 33 CG1 -81.8975 9.5241 7.2549 C.3 2 ILE2 -0.0514 34 HG11 -82.4718 9.8234 8.1307 H 2 ILE2 0.0266 35 HG12 -81.9604 8.4358 7.2104 H 2 ILE2 0.0266 36 CG2 -79.5813 9.4578 6.2198 C.3 2 ILE2 -0.0605 37 HG21 -79.9538 9.8485 5.2737 H 2 ILE2 0.0233 38 HG22 -79.5912 8.3691 6.1576 H 2 ILE2 0.0233 39 HG23 -78.5405 9.7729 6.2959 H 2 ILE2 0.0233 40 CD1 -82.5871 10.1267 6.0245 C.3 2 ILE2 -0.0650 41 HD11 -83.6461 9.8682 6.0106 H 2 ILE2 0.0230 42 HD12 -82.1537 9.7548 5.0965 H 2 ILE2 0.0230 43 HD13 -82.5103 11.2141 6.0213 H 2 ILE2 0.0230 44 N -77.5030 8.9220 9.1190 N.am 3 PHE3 -0.2453 45 H -77.8150 7.9520 9.0820 H 3 PHE3 0.1312 46 CA -76.0980 9.1980 9.3650 C.3 3 PHE3 0.0917 47 HA -76.0015 10.1213 9.9337 H 3 PHE3 0.0560 48 C -75.3820 9.3250 8.0460 C.2 3 PHE3 0.2190 49 O -75.7080 8.6560 7.0790 O.2 3 PHE3 -0.2778 50 CB -75.4547 8.0046 10.1010 C.3 3 PHE3 -0.0036 51 HB1 -74.3705 8.0581 10.0258 H 3 PHE3 0.0333 52 HB2 -75.7399 7.0650 9.6242 H 3 PHE3 0.0333 53 CG -75.7989 7.9385 11.5625 C.ar 3 PHE3 -0.0454 54 CD1 -74.9616 8.5168 12.5138 C.ar 3 PHE3 -0.0585 55 HD1 -74.0618 9.0271 12.2017 H 3 PHE3 0.0620 56 CD2 -76.9276 7.2488 11.9884 C.ar 3 PHE3 -0.0585 57 HD2 -77.5639 6.7462 11.2727 H 3 PHE3 0.0620 58 CE1 -75.2787 8.4467 13.8646 C.ar 3 PHE3 -0.0615 59 HE1 -74.6420 8.9090 14.6007 H 3 PHE3 0.0618 60 CE2 -77.2379 7.1681 13.3387 C.ar 3 PHE3 -0.0615 61 HE2 -78.1074 6.6057 13.6498 H 3 PHE3 0.0618 62 CZ -76.4184 7.7743 14.2789 C.ar 3 PHE3 -0.0617 63 HZ -76.6552 7.6970 15.3305 H 3 PHE3 0.0618 64 N -74.3820 10.1840 8.0140 N.am 4 LYS4 -0.2456 65 H -74.2380 10.7990 8.8150 H 4 LYS4 0.1312 66 CA -73.4760 10.2890 6.8820 C.3 4 LYS4 0.0880 67 HA -73.9743 9.9210 5.9832 H 4 LYS4 0.0557 68 C -72.2060 9.5040 7.1490 C.2 4 LYS4 0.2213 69 O -71.8290 9.3190 8.2700 O.2 4 LYS4 -0.2776 70 CB -73.1472 11.7915 6.7734 C.3 4 LYS4 -0.0289 71 HB1 -72.3533 11.9682 6.0477 H 4 LYS4 0.0285 72 HB2 -72.7481 12.1276 7.7301 H 4 LYS4 0.0285 73 CG -74.3705 12.6450 6.3889 C.3 4 LYS4 -0.0496 74 HG1 -75.2603 12.3402 6.9411 H 4 LYS4 0.0266 75 HG2 -74.5988 12.4444 5.3410 H 4 LYS4 0.0266 76 CD -74.1515 14.1563 6.5779 C.3 4 LYS4 -0.0278 77 HD1 -74.7638 14.6826 5.8439 H 4 LYS4 0.0282 78 HD2 -73.1196 14.4236 6.3456 H 4 LYS4 0.0282 79 CE -74.5514 14.6724 7.9715 C.3 4 LYS4 0.1103 80 HE1 -75.5969 14.4347 8.1775 H 4 LYS4 0.0559 81 HE2 -74.4596 15.7600 8.0042 H 4 LYS4 0.0559 82 NZ -73.7455 14.1262 9.0591 N.4 4 LYS4 -0.0749 83 HZ1 -74.0451 14.4973 9.9898 H 4 LYS4 0.2742 84 HZ2 -72.7375 14.3277 8.9244 H 4 LYS4 0.2742 85 HZ3 -73.8911 13.0953 9.1439 H 4 LYS4 0.2742 86 N -71.5100 9.0730 6.0880 N.am 5 PRO5 -0.2316 87 CA -70.3500 8.2010 6.2800 C.3 5 PRO5 0.0907 88 HA -70.6719 7.3177 6.8348 H 5 PRO5 0.0559 89 C -69.2410 8.8940 7.0620 C.2 5 PRO5 0.2189 90 O -68.5990 8.2740 7.9170 O.2 5 PRO5 -0.2778 91 CB -69.9331 7.8396 4.8483 C.3 5 PRO5 -0.0276 92 HB1 -70.3829 6.8831 4.5788 H 5 PRO5 0.0285 93 HB2 -68.8548 7.7355 4.7162 H 5 PRO5 0.0285 94 CG -70.5331 8.9365 3.9688 C.3 5 PRO5 -0.0379 95 HG1 -70.7183 8.6031 2.9475 H 5 PRO5 0.0278 96 HG2 -69.8400 9.7775 3.9225 H 5 PRO5 0.0278 97 CD -71.8105 9.3687 4.6908 C.3 5 PRO5 0.0071 98 HD1 -72.0311 10.4261 4.5526 H 5 PRO5 0.0431 99 HD2 -72.6681 8.7564 4.4068 H 5 PRO5 0.0431 100 N -69.0150 10.1800 6.8020 N.am 6 GLU6 -0.2456 101 H -69.5760 10.6870 6.1180 H 6 GLU6 0.1312 102 CA -67.9380 10.8360 7.5300 C.3 6 GLU6 0.0883 103 HA -67.1208 10.1115 7.5329 H 6 GLU6 0.0557 104 C -68.2980 11.0310 8.9840 C.2 6 GLU6 0.2187 105 O -67.4790 10.9510 9.8590 O.2 6 GLU6 -0.2778 106 CB -67.3713 12.0785 6.8287 C.3 6 GLU6 -0.0193 107 HB1 -68.0443 12.9255 6.9587 H 6 GLU6 0.0290 108 HB2 -67.3255 11.8873 5.7558 H 6 GLU6 0.0290 109 CG -65.9481 12.4451 7.3187 C.3 6 GLU6 0.0356 110 HG1 -65.9626 12.6925 8.3795 H 6 GLU6 0.0374 111 HG2 -65.5899 13.3307 6.7959 H 6 GLU6 0.0374 112 CD -64.9120 11.3190 7.0856 C.2 6 GLU6 0.1760 113 OE1 -64.2913 10.8479 8.0325 O.co2 6 GLU6 -0.6478 114 OE2 -64.7171 10.9000 5.9525 O.co2 6 GLU6 -0.6478 115 N -69.5500 11.3120 9.2550 N.am 7 GLU7 -0.2456 116 H -70.1980 11.4830 8.4860 H 7 GLU7 0.1312 117 CA -70.0460 11.3870 10.6400 C.3 7 GLU7 0.0883 118 HA -69.5066 12.1961 11.1354 H 7 GLU7 0.0557 119 C -69.7910 10.0940 11.3940 C.2 7 GLU7 0.2187 120 O -69.3040 10.1080 12.5130 O.2 7 GLU7 -0.2778 121 CB -71.5415 11.7231 10.4779 C.3 7 GLU7 -0.0193 122 HB1 -72.0442 10.9127 9.9545 H 7 GLU7 0.0290 123 HB2 -71.5924 12.5821 9.8083 H 7 GLU7 0.0290 124 CG -72.3556 12.0492 11.7388 C.3 7 GLU7 0.0356 125 HG1 -71.8340 12.7790 12.3585 H 7 GLU7 0.0374 126 HG2 -72.5198 11.1566 12.3424 H 7 GLU7 0.0374 127 CD -73.7224 12.6353 11.2998 C.2 7 GLU7 0.1760 128 OE1 -74.4598 12.0347 10.5331 O.co2 7 GLU7 -0.6478 129 OE2 -74.1024 13.7282 11.6855 O.co2 7 GLU7 -0.6478 130 N -70.1140 8.9640 10.7760 N.am 8 LEU8 -0.2456 131 H -70.5420 8.9980 9.8510 H 8 LEU8 0.1312 132 CA -69.8590 7.6610 11.4170 C.3 8 LEU8 0.0880 133 HA -70.3143 7.6843 12.4079 H 8 LEU8 0.0557 134 C -68.3910 7.4010 11.5950 C.2 8 LEU8 0.2187 135 O -67.9700 6.9290 12.6600 O.2 8 LEU8 -0.2778 136 CB -70.4779 6.5423 10.5553 C.3 8 LEU8 -0.0266 137 HB1 -70.1138 5.5635 10.8714 H 8 LEU8 0.0287 138 HB2 -70.1345 6.6693 9.5271 H 8 LEU8 0.0287 139 CG -72.0156 6.5195 10.5798 C.3 8 LEU8 -0.0449 140 HG -72.3647 7.5437 10.4612 H 8 LEU8 0.0296 141 CD1 -72.5720 5.7002 9.4069 C.3 8 LEU8 -0.0626 142 HD11 -73.6624 5.6993 9.4076 H 8 LEU8 0.0232 143 HD12 -72.2432 4.6620 9.4604 H 8 LEU8 0.0232 144 HD13 -72.2448 6.1068 8.4497 H 8 LEU8 0.0232 145 CD2 -72.5586 5.9686 11.9081 C.3 8 LEU8 -0.0626 146 HD21 -73.6484 5.9350 11.9029 H 8 LEU8 0.0232 147 HD22 -72.2536 6.5800 12.7568 H 8 LEU8 0.0232 148 HD23 -72.2084 4.9513 12.0838 H 8 LEU8 0.0232 149 N -67.5950 7.6930 10.5820 N.am 9 ARG9 -0.2457 150 H -67.9940 8.0810 9.7270 H 9 ARG9 0.1312 151 CA -66.1760 7.4730 10.6630 C.3 9 ARG9 0.0879 152 HA -66.0100 6.4098 10.8406 H 9 ARG9 0.0557 153 C -65.5410 8.2880 11.7920 C.2 9 ARG9 0.2187 154 O -64.8200 7.7510 12.6390 O.2 9 ARG9 -0.2778 155 CB -65.7032 7.8905 9.2691 C.3 9 ARG9 -0.0258 156 HB1 -65.8911 8.9533 9.1095 H 9 ARG9 0.0286 157 HB2 -66.3334 7.3710 8.5453 H 9 ARG9 0.0286 158 CG -64.2569 7.5780 8.9169 C.3 9 ARG9 -0.0154 159 HG1 -63.9943 6.5726 9.2429 H 9 ARG9 0.0299 160 HG2 -63.5888 8.2741 9.4254 H 9 ARG9 0.0299 161 CD -64.0975 7.6827 7.4004 C.3 9 ARG9 0.1045 162 HD1 -64.4680 8.6311 7.0142 H 9 ARG9 0.0711 163 HD2 -64.6866 6.9229 6.8927 H 9 ARG9 0.0711 164 NE -62.7113 7.4550 7.0238 N.pl3 9 ARG9 -0.4450 165 HE -62.3010 6.5445 7.0978 H 9 ARG9 0.3153 166 CZ -61.9155 8.4013 6.5599 C.cat 9 ARG9 0.5062 167 NH1 -60.7196 8.0284 6.2044 N.pl3 9 ARG9 -0.4573 168 HH11 -60.0719 8.6946 5.8538 H 9 ARG9 0.3114 169 HH12 -60.4979 7.0539 6.2989 H 9 ARG9 0.3114 170 NH2 -62.2829 9.6501 6.4501 N.pl3 9 ARG9 -0.4573 171 HH21 -61.6968 10.3623 6.0900 H 9 ARG9 0.3114 172 HH22 -63.2149 9.9393 6.7350 H 9 ARG9 0.3114 173 N -65.8680 9.5700 11.8660 N.am 10 GLN10 -0.2456 174 H -66.5490 9.9600 11.2150 H 10 GLN10 0.1312 175 CA -65.2630 10.4150 12.8650 C.3 10 GLN10 0.0882 176 HA -64.1816 10.2801 12.7986 H 10 GLN10 0.0557 177 C -65.6780 10.0290 14.2620 C.2 10 GLN10 0.2187 178 O -64.8620 10.0760 15.1750 O.2 10 GLN10 -0.2778 179 CB -65.6315 11.8736 12.5487 C.3 10 GLN10 -0.0210 180 HB1 -65.3468 12.5264 13.3759 H 10 GLN10 0.0289 181 HB2 -66.7159 11.9555 12.4609 H 10 GLN10 0.0289 182 CG -64.9818 12.3839 11.2487 C.3 10 GLN10 0.0225 183 HG1 -65.3822 13.3618 10.9853 H 10 GLN10 0.0356 184 HG2 -65.1955 11.7169 10.4140 H 10 GLN10 0.0356 185 CD -63.4598 12.5246 11.3996 C.2 10 GLN10 0.1981 186 OE1 -62.9478 12.9029 12.4444 O.2 10 GLN10 -0.2798 187 NE2 -62.7711 12.1973 10.2984 N.am 10 GLN10 -0.2724 188 HE21 -61.7760 12.2680 10.2927 H 10 GLN10 0.1266 189 HE22 -63.2471 11.8793 9.4758 H 10 GLN10 0.1266 190 N -66.9250 9.6180 14.4370 N.am 11 ALA11 -0.2459 191 H -67.5740 9.5800 13.6510 H 11 ALA11 0.1312 192 CA -67.3520 9.2230 15.7640 C.3 11 ALA11 0.0850 193 HA -67.0001 9.9724 16.4761 H 11 ALA11 0.0554 194 C -66.8100 7.8670 16.1840 C.2 11 ALA11 0.2184 195 O -66.5070 7.6610 17.3620 O.2 11 ALA11 -0.2778 196 CB -68.8809 9.1831 15.7766 C.3 11 ALA11 -0.0411 197 HB1 -69.2580 8.9220 16.7663 H 11 ALA11 0.0249 198 HB2 -69.2702 8.4556 15.0625 H 11 ALA11 0.0249 199 HB3 -69.2891 10.1576 15.5087 H 11 ALA11 0.0249 200 N -66.8270 6.8970 15.2700 N.am 12 LEU12 -0.2457 201 H -67.0360 7.1310 14.3000 H 12 LEU12 0.1312 202 CA -66.5530 5.5060 15.6260 C.3 12 LEU12 0.0880 203 HA -66.8420 5.3534 16.6672 H 12 LEU12 0.0557 204 C -65.0800 5.1490 15.5230 C.2 12 LEU12 0.2187 205 O -64.6050 4.2740 16.2710 O.2 12 LEU12 -0.2778 206 CB -67.3926 4.5829 14.7232 C.3 12 LEU12 -0.0266 207 HB1 -67.1714 3.5391 14.9516 H 12 LEU12 0.0287 208 HB2 -67.0856 4.7330 13.6871 H 12 LEU12 0.0287 209 CG -68.9154 4.8092 14.8374 C.3 12 LEU12 -0.0449 210 HG -69.1302 5.8676 14.6877 H 12 LEU12 0.0296 211 CD1 -69.6602 4.0486 13.7338 C.3 12 LEU12 -0.0626 212 HD11 -70.7328 4.2349 13.7862 H 12 LEU12 0.0232 213 HD12 -69.5035 2.9750 13.8210 H 12 LEU12 0.0232 214 HD13 -69.3173 4.3566 12.7459 H 12 LEU12 0.0232 215 CD2 -69.4563 4.4168 16.2206 C.3 12 LEU12 -0.0626 216 HD21 -70.5380 4.5453 16.2682 H 12 LEU12 0.0232 217 HD22 -69.0251 5.0336 17.0081 H 12 LEU12 0.0232 218 HD23 -69.2353 3.3750 16.4526 H 12 LEU12 0.0232 219 N -64.3320 5.7810 14.6190 N.am 13 MET13 -0.2456 220 H -64.7320 6.5370 14.0640 H 13 MET13 0.1312 221 CA -62.9300 5.3870 14.4230 C.3 13 MET13 0.0888 222 HA -62.9568 4.3472 14.0931 H 13 MET13 0.0557 223 C -62.1070 5.4350 15.7190 C.2 13 MET13 0.2214 224 O -61.2880 4.5750 15.9250 O.2 13 MET13 -0.2776 225 CB -62.3025 6.2567 13.3192 C.3 13 MET13 -0.0199 226 HB1 -62.2235 7.2895 13.6577 H 13 MET13 0.0293 227 HB2 -62.9722 6.2751 12.4621 H 13 MET13 0.0293 228 CG -60.9286 5.7752 12.8327 C.3 13 MET13 -0.0047 229 HG1 -60.2229 5.6639 13.6565 H 13 MET13 0.0377 230 HG2 -60.4999 6.5309 12.1744 H 13 MET13 0.0377 231 SD -61.0374 4.2236 11.9168 S.3 13 MET13 -0.1641 232 CE -61.7703 4.8280 10.3829 C.3 13 MET13 -0.0181 233 HE1 -61.6918 4.0757 9.5980 H 13 MET13 0.0340 234 HE2 -61.2569 5.7277 10.0442 H 13 MET13 0.0340 235 HE3 -62.8185 5.0789 10.5375 H 13 MET13 0.0340 236 N -62.3130 6.4160 16.6060 N.am 14 PRO14 -0.2316 237 CA -61.5080 6.3990 17.8200 C.3 14 PRO14 0.0907 238 HA -60.4651 6.5084 17.5229 H 14 PRO14 0.0559 239 C -61.6910 5.1250 18.6660 C.2 14 PRO14 0.2190 240 O -60.7720 4.6880 19.3560 O.2 14 PRO14 -0.2778 241 CB -61.9910 7.6436 18.5813 C.3 14 PRO14 -0.0276 242 HB1 -61.1877 8.1324 19.1325 H 14 PRO14 0.0285 243 HB2 -62.7684 7.3826 19.3024 H 14 PRO14 0.0285 244 CG -62.6063 8.5436 17.5125 C.3 14 PRO14 -0.0379 245 HG1 -61.8233 9.1290 17.0298 H 14 PRO14 0.0278 246 HG2 -63.3461 9.2364 17.9141 H 14 PRO14 0.0278 247 CD -63.2053 7.5668 16.5068 C.3 14 PRO14 0.0071 248 HD1 -64.1881 7.2413 16.8349 H 14 PRO14 0.0431 249 HD2 -63.2345 7.9669 15.4939 H 14 PRO14 0.0431 250 N -62.8870 4.5460 18.6260 N.am 15 THR15 -0.2434 251 H -63.6460 4.9720 18.0930 H 15 THR15 0.1313 252 CA -63.1070 3.3030 19.3460 C.3 15 THR15 0.1135 253 HA -62.6948 3.4617 20.3472 H 15 THR15 0.0583 254 C -62.3460 2.1410 18.7470 C.2 15 THR15 0.2212 255 O -61.8700 1.2550 19.4570 O.2 15 THR15 -0.2777 256 CB -64.6066 2.9737 19.5304 C.3 15 THR15 0.0763 257 HB -64.6721 2.1728 20.2706 H 15 THR15 0.0611 258 OG1 -65.2331 2.4748 18.3652 O.3 15 THR15 -0.3900 259 HG1 -65.0963 3.1039 17.6666 H 15 THR15 0.2098 260 CG2 -65.4057 4.1625 20.0815 C.3 15 THR15 -0.0370 261 HG21 -66.4417 3.8815 20.2661 H 15 THR15 0.0255 262 HG22 -65.4117 5.0049 19.3894 H 15 THR15 0.0255 263 HG23 -64.9847 4.5122 21.0250 H 15 THR15 0.0255 264 N -62.2080 2.1370 17.4320 N.am 16 LEU16 -0.2456 265 H -62.6810 2.8540 16.8810 H 16 LEU16 0.1312 266 CA -61.3950 1.1320 16.7450 C.3 16 LEU16 0.0880 267 HA -61.6787 0.1695 17.1710 H 16 LEU16 0.0557 268 C -59.9080 1.3480 16.9960 C.2 16 LEU16 0.2187 269 O -59.1530 0.3750 17.2390 O.2 16 LEU16 -0.2778 270 CB -61.7259 1.1747 15.2411 C.3 16 LEU16 -0.0266 271 HB1 -61.2998 2.0790 14.8034 H 16 LEU16 0.0287 272 HB2 -62.8027 1.2783 15.1125 H 16 LEU16 0.0287 273 CG -61.2578 -0.0622 14.4484 C.3 16 LEU16 -0.0449 274 HG -60.1883 -0.1985 14.6140 H 16 LEU16 0.0296 275 CD1 -61.9795 -1.3437 14.8950 C.3 16 LEU16 -0.0626 276 HD11 -61.6992 -2.1898 14.2662 H 16 LEU16 0.0232 277 HD12 -63.0616 -1.2276 14.8308 H 16 LEU16 0.0232 278 HD13 -61.7337 -1.6109 15.9220 H 16 LEU16 0.0232 279 CD2 -61.4688 0.1541 12.9452 C.3 16 LEU16 -0.0626 280 HD21 -61.1303 -0.7132 12.3784 H 16 LEU16 0.0232 281 HD22 -60.9143 1.0228 12.5914 H 16 LEU16 0.0232 282 HD23 -62.5219 0.3124 12.7135 H 16 LEU16 0.0232 283 N -59.4850 2.6070 16.9800 N.am 17 GLU17 -0.2456 284 H -60.1470 3.3510 16.7600 H 17 GLU17 0.1312 285 CA -58.0980 2.9520 17.2690 C.3 17 GLU17 0.0883 286 HA -57.4727 2.4439 16.5354 H 17 GLU17 0.0557 287 C -57.6990 2.4670 18.6660 C.2 17 GLU17 0.2187 288 O -56.5950 1.9770 18.8920 O.2 17 GLU17 -0.2778 289 CB -58.0407 4.4860 17.1339 C.3 17 GLU17 -0.0193 290 HB1 -57.2197 4.9232 17.6959 H 17 GLU17 0.0290 291 HB2 -58.9298 4.9027 17.6033 H 17 GLU17 0.0290 292 CG -57.9920 4.9548 15.6659 C.3 17 GLU17 0.0356 293 HG1 -58.2805 6.0038 15.6006 H 17 GLU17 0.0374 294 HG2 -58.6910 4.3951 15.0455 H 17 GLU17 0.0374 295 CD -56.5748 4.8014 15.0872 C.2 17 GLU17 0.1760 296 OE1 -55.9170 5.8028 14.8349 O.co2 17 GLU17 -0.6478 297 OE2 -56.1117 3.6806 14.9071 O.co2 17 GLU17 -0.6478 298 N -58.6090 2.5890 19.6140 N.am 18 ALA18 -0.2459 299 H -59.5030 3.0300 19.4000 H 18 ALA18 0.1312 300 CA -58.3530 2.1030 20.9580 C.3 18 ALA18 0.0850 301 HA -57.4740 2.6263 21.3348 H 18 ALA18 0.0554 302 C -58.0760 0.6010 20.9700 C.2 18 ALA18 0.2184 303 O -57.2380 0.1200 21.7490 O.2 18 ALA18 -0.2778 304 CB -59.5635 2.4353 21.8288 C.3 18 ALA18 -0.0411 305 HB1 -59.4093 2.1296 22.8642 H 18 ALA18 0.0249 306 HB2 -60.4703 1.9515 21.4669 H 18 ALA18 0.0249 307 HB3 -59.7468 3.5101 21.8260 H 18 ALA18 0.0249 308 N -58.8030 -0.1610 20.1700 N.am 19 LEU19 -0.2457 309 H -59.5620 0.2440 19.6230 H 19 LEU19 0.1312 310 CA -58.5080 -1.5840 20.0790 C.3 19 LEU19 0.0880 311 HA -58.4169 -1.9611 21.0976 H 19 LEU19 0.0557 312 C -57.1550 -1.8250 19.4360 C.2 19 LEU19 0.2187 313 O -56.3660 -2.6270 19.9340 O.2 19 LEU19 -0.2778 314 CB -59.6336 -2.3393 19.3540 C.3 19 LEU19 -0.0266 315 HB1 -59.3431 -3.3835 19.2285 H 19 LEU19 0.0287 316 HB2 -59.7572 -1.9349 18.3483 H 19 LEU19 0.0287 317 CG -60.9848 -2.2921 20.0933 C.3 19 LEU19 -0.0449 318 HG -61.3205 -1.2546 20.1308 H 19 LEU19 0.0296 319 CD1 -62.0421 -3.0928 19.3197 C.3 19 LEU19 -0.0626 320 HD11 -63.0108 -3.0502 19.8162 H 19 LEU19 0.0232 321 HD12 -61.7605 -4.1430 19.2368 H 19 LEU19 0.0232 322 HD13 -62.1714 -2.6999 18.3106 H 19 LEU19 0.0232 323 CD2 -60.8754 -2.7986 21.5425 C.3 19 LEU19 -0.0626 324 HD21 -61.8413 -2.7827 22.0378 H 19 LEU19 0.0232 325 HD22 -60.2266 -2.1691 22.1495 H 19 LEU19 0.0232 326 HD23 -60.4963 -3.8191 21.5850 H 19 LEU19 0.0232 327 N -56.8740 -1.1250 18.3470 N.am 20 TYR20 -0.2453 328 H -57.5490 -0.4460 17.9950 H 20 TYR20 0.1312 329 CA -55.6150 -1.3140 17.6500 C.3 20 TYR20 0.0917 330 HA -55.5850 -2.3724 17.3829 H 20 TYR20 0.0560 331 C -54.3850 -1.0140 18.5200 C.2 20 TYR20 0.2190 332 O -53.3940 -1.7480 18.4690 O.2 20 TYR20 -0.2778 333 CB -55.6478 -0.4506 16.3762 C.3 20 TYR20 -0.0036 334 HB1 -55.2373 0.5453 16.5513 H 20 TYR20 0.0333 335 HB2 -56.6815 -0.2853 16.0669 H 20 TYR20 0.0333 336 CG -54.9309 -1.1193 15.2346 C.ar 20 TYR20 -0.0453 337 CD1 -53.5603 -0.9575 15.0642 C.ar 20 TYR20 -0.0561 338 HD1 -52.9990 -0.3401 15.7506 H 20 TYR20 0.0621 339 CD2 -55.6351 -1.9238 14.3414 C.ar 20 TYR20 -0.0561 340 HD2 -56.7004 -2.0601 14.4603 H 20 TYR20 0.0621 341 CE1 -52.9049 -1.5884 14.0150 C.ar 20 TYR20 -0.0317 342 HE1 -51.8401 -1.4644 13.8854 H 20 TYR20 0.0643 343 CE2 -54.9812 -2.5580 13.2931 C.ar 20 TYR20 -0.0317 344 HE2 -55.5320 -3.1897 12.6107 H 20 TYR20 0.0643 345 CZ -53.6135 -2.3910 13.1327 C.ar 20 TYR20 0.0726 346 OH -52.9470 -3.0465 12.1193 O.3 20 TYR20 -0.3598 347 HH -53.5714 -3.4881 11.5549 H 20 TYR20 0.2173 348 N -54.5120 -0.0240 19.4070 N.am 21 ARG21 -0.2456 349 H -55.3970 0.4810 19.4420 H 21 ARG21 0.1312 350 CA -53.4490 0.3760 20.3320 C.3 21 ARG21 0.0879 351 HA -52.5447 0.5033 19.7339 H 21 ARG21 0.0557 352 C -53.1260 -0.7180 21.3340 C.2 21 ARG21 0.2187 353 O -52.0930 -0.6450 21.9830 O.2 21 ARG21 -0.2778 354 CB -53.8362 1.7130 20.9791 C.3 21 ARG21 -0.0258 355 HB1 -53.2773 1.8854 21.9002 H 21 ARG21 0.0286 356 HB2 -54.8908 1.6820 21.2592 H 21 ARG21 0.0286 357 CG -53.5603 2.8646 20.0005 C.3 21 ARG21 -0.0154 358 HG1 -53.6605 2.4839 18.9869 H 21 ARG21 0.0299 359 HG2 -52.5177 3.1720 20.0867 H 21 ARG21 0.0299 360 CD -54.4789 4.0804 20.1834 C.3 21 ARG21 0.1045 361 HD1 -54.3109 4.5509 21.1542 H 21 ARG21 0.0711 362 HD2 -55.5374 3.8128 20.1405 H 21 ARG21 0.0711 363 NE -54.2212 5.0948 19.1563 N.pl3 21 ARG21 -0.4450 364 HE -53.8288 5.9787 19.3949 H 21 ARG21 0.3153 365 CZ -54.5088 4.9339 17.8638 C.cat 21 ARG21 0.5062 366 NH1 -54.9858 3.8183 17.4009 N.pl3 21 ARG21 -0.4573 367 HH11 -55.1990 3.7687 16.4156 H 21 ARG21 0.3114 368 HH12 -55.1619 3.0353 17.9885 H 21 ARG21 0.3114 369 NH2 -54.3243 5.9101 17.0260 N.pl3 21 ARG21 -0.4573 370 HH21 -54.6591 5.7677 16.0824 H 21 ARG21 0.3114 371 HH22 -53.8984 6.7705 17.2713 H 21 ARG21 0.3114 372 N -54.0860 -1.5890 21.6240 N.am 22 GLN22 -0.2456 373 H -54.9670 -1.5720 21.1100 H 22 GLN22 0.1312 374 CA -53.8730 -2.5740 22.6860 C.3 22 GLN22 0.0882 375 HA -53.5651 -2.0369 23.5854 H 22 GLN22 0.0557 376 C -52.7770 -3.5360 22.2890 C.2 22 GLN22 0.2187 377 O -52.8710 -4.2240 21.2620 O.2 22 GLN22 -0.2778 378 CB -55.1607 -3.3793 22.9563 C.3 22 GLN22 -0.0210 379 HB1 -54.9433 -4.2043 23.6305 H 22 GLN22 0.0289 380 HB2 -55.4966 -3.8474 22.0329 H 22 GLN22 0.0289 381 CG -56.3252 -2.5735 23.5475 C.3 22 GLN22 0.0225 382 HG1 -57.1817 -3.2237 23.7168 H 22 GLN22 0.0356 383 HG2 -56.6477 -1.8184 22.8393 H 22 GLN22 0.0356 384 CD -55.9763 -1.9132 24.8909 C.2 22 GLN22 0.1981 385 OE1 -55.5191 -2.5511 25.8312 O.2 22 GLN22 -0.2798 386 NE2 -56.2283 -0.5961 24.9203 N.am 22 GLN22 -0.2724 387 HE21 -56.0473 -0.0779 25.7553 H 22 GLN22 0.1266 388 HE22 -56.6047 -0.1221 24.1239 H 22 GLN22 0.1266 389 N -51.7010 -3.5530 23.0310 N.am 23 ASP23 -0.2451 390 H -51.6380 -2.8990 23.8110 H 23 ASP23 0.1312 391 CA -50.5900 -4.4600 22.7980 C.3 23 ASP23 0.0977 392 HA -50.9160 -5.2279 22.0977 H 23 ASP23 0.0563 393 C -50.3340 -5.0680 24.1660 C.2 23 ASP23 0.2219 394 O -50.2620 -4.3360 25.1500 O.2 23 ASP23 -0.2776 395 CB -49.3888 -3.6641 22.2361 C.3 23 ASP23 0.0576 396 HB1 -48.5835 -3.5677 22.9642 H 23 ASP23 0.0394 397 HB2 -49.6904 -2.6492 21.9776 H 23 ASP23 0.0394 398 CG -48.8169 -4.3253 20.9682 C.2 23 ASP23 0.1780 399 OD1 -48.1939 -5.3715 21.0918 O.co2 23 ASP23 -0.6478 400 OD2 -48.9963 -3.8021 19.8645 O.co2 23 ASP23 -0.6478 401 N -50.3290 -6.3960 24.2720 N.am 24 PRO24 -0.2316 402 CA -50.1960 -7.3680 23.1940 C.3 24 PRO24 0.0907 403 HA -49.5132 -6.9822 22.4375 H 24 PRO24 0.0559 404 C -51.5020 -7.8190 22.5350 C.2 24 PRO24 0.2189 405 O -51.4530 -8.5550 21.5530 O.2 24 PRO24 -0.2778 406 CB -49.5809 -8.5511 23.9486 C.3 24 PRO24 -0.0276 407 HB1 -48.5056 -8.3900 24.0337 H 24 PRO24 0.0285 408 HB2 -49.7273 -9.5140 23.4593 H 24 PRO24 0.0285 409 CG -50.2067 -8.4796 25.3422 C.3 24 PRO24 -0.0379 410 HG1 -49.6071 -8.9769 26.1040 H 24 PRO24 0.0278 411 HG2 -51.1895 -8.9493 25.3291 H 24 PRO24 0.0278 412 CD -50.3686 -6.9826 25.6079 C.3 24 PRO24 0.0071 413 HD1 -51.3120 -6.7230 26.0896 H 24 PRO24 0.0431 414 HD2 -49.5314 -6.5775 26.1796 H 24 PRO24 0.0431 415 N -52.6390 -7.4080 23.0950 N.am 25 GLU25 -0.2456 416 H -52.6450 -6.5830 23.6950 H 25 GLU25 0.1312 417 CA -53.8710 -8.1400 22.8470 C.3 25 GLU25 0.0883 418 HA -53.6074 -9.1832 22.9613 H 25 GLU25 0.0557 419 C -54.4480 -7.9880 21.4430 C.2 25 GLU25 0.2187 420 O -55.1410 -8.8910 20.9810 O.2 25 GLU25 -0.2778 421 CB -54.9155 -7.8161 23.9206 C.3 25 GLU25 -0.0193 422 HB1 -55.7507 -8.5088 23.8126 H 25 GLU25 0.0290 423 HB2 -55.3497 -6.8295 23.7527 H 25 GLU25 0.0290 424 CG -54.3422 -7.9622 25.3478 C.3 25 GLU25 0.0356 425 HG1 -53.4386 -8.5686 25.3602 H 25 GLU25 0.0374 426 HG2 -55.0595 -8.4979 25.9668 H 25 GLU25 0.0374 427 CD -54.0399 -6.6238 26.0489 C.2 25 GLU25 0.1760 428 OE1 -54.1747 -5.5647 25.4516 O.co2 25 GLU25 -0.6478 429 OE2 -53.6935 -6.6311 27.2256 O.co2 25 GLU25 -0.6478 430 N -54.1900 -6.8740 20.7750 N.am 26 SER26 -0.2436 431 H -53.5780 -6.1590 21.1680 H 26 SER26 0.1312 432 CA -54.8020 -6.6940 19.4640 C.3 26 SER26 0.1109 433 HA -55.8037 -7.1220 19.5126 H 26 SER26 0.0580 434 C -54.0860 -7.4290 18.3610 C.2 26 SER26 0.2209 435 O -54.6420 -7.5520 17.2680 O.2 26 SER26 -0.2777 436 CB -54.9997 -5.2158 19.1337 C.3 26 SER26 0.0681 437 HB1 -55.4377 -4.7167 19.9985 H 26 SER26 0.0577 438 HB2 -55.7149 -5.1062 18.3172 H 26 SER26 0.0577 439 OG -53.8154 -4.5610 18.7397 O.3 26 SER26 -0.3930 440 HG -53.1483 -4.7232 19.4058 H 26 SER26 0.2095 441 N -52.8490 -7.8510 18.5850 N.am 27 LEU27 -0.2456 442 H -52.4890 -7.8970 19.5380 H 27 LEU27 0.1312 443 CA -52.0060 -8.2490 17.4630 C.3 27 LEU27 0.0883 444 HA -51.8084 -7.3595 16.8683 H 27 LEU27 0.0557 445 C -52.6420 -9.3190 16.5610 C.2 27 LEU27 0.2214 446 O -52.6430 -9.1450 15.3430 O.2 27 LEU27 -0.2776 447 CB -50.7087 -8.9082 18.0135 C.3 27 LEU27 -0.0266 448 HB1 -50.4263 -9.7954 17.4425 H 27 LEU27 0.0287 449 HB2 -50.8851 -9.2702 19.0264 H 27 LEU27 0.0287 450 CG -49.4670 -8.0232 18.0320 C.3 27 LEU27 -0.0449 451 HG -48.6457 -8.6249 18.4240 H 27 LEU27 0.0296 452 CD1 -49.0385 -7.5757 16.6283 C.3 27 LEU27 -0.0626 453 HD11 -48.1044 -7.0148 16.6696 H 27 LEU27 0.0232 454 HD12 -49.7824 -6.9396 16.1582 H 27 LEU27 0.0232 455 HD13 -48.8788 -8.4349 15.9766 H 27 LEU27 0.0232 456 CD2 -49.6468 -6.8642 18.9985 C.3 27 LEU27 -0.0626 457 HD21 -48.8037 -6.1846 18.8995 H 27 LEU27 0.0232 458 HD22 -49.6827 -7.2164 20.0290 H 27 LEU27 0.0232 459 HD23 -50.5653 -6.3118 18.8187 H 27 LEU27 0.0232 460 N -53.2400 -10.3820 17.1360 N.am 28 PRO28 -0.2316 461 CA -53.8310 -11.4100 16.2580 C.3 28 PRO28 0.0907 462 HA -53.0856 -11.6910 15.5115 H 28 PRO28 0.0559 463 C -55.0920 -10.9940 15.5120 C.2 28 PRO28 0.2189 464 O -55.5620 -11.7370 14.6320 O.2 28 PRO28 -0.2778 465 CB -54.0922 -12.5890 17.2013 C.3 28 PRO28 -0.0276 466 HB1 -53.2288 -13.2483 17.1845 H 28 PRO28 0.0285 467 HB2 -54.9543 -13.1980 16.9273 H 28 PRO28 0.0285 468 CG -54.2194 -11.9803 18.5907 C.3 28 PRO28 -0.0379 469 HG1 -53.9170 -12.6661 19.3811 H 28 PRO28 0.0278 470 HG2 -55.2627 -11.7289 18.7687 H 28 PRO28 0.0278 471 CD -53.3865 -10.6966 18.5626 C.3 28 PRO28 0.0071 472 HD1 -53.9338 -9.9198 19.0844 H 28 PRO28 0.0431 473 HD2 -52.3979 -10.8316 18.9942 H 28 PRO28 0.0431 474 N -55.6250 -9.8230 15.8610 N.am 29 PHE29 -0.2453 475 H -55.1360 -9.2700 16.5650 H 29 PHE29 0.1312 476 CA -56.8500 -9.2820 15.3100 C.3 29 PHE29 0.0917 477 HA -57.3838 -10.0840 14.7958 H 29 PHE29 0.0560 478 C -56.6150 -8.1880 14.2840 C.2 29 PHE29 0.2190 479 O -57.5910 -7.6480 13.7300 O.2 29 PHE29 -0.2778 480 CB -57.7137 -8.7357 16.4583 C.3 29 PHE29 -0.0036 481 HB1 -58.5908 -8.2178 16.0668 H 29 PHE29 0.0333 482 HB2 -57.1609 -8.0030 17.0470 H 29 PHE29 0.0333 483 CG -58.1948 -9.8483 17.3468 C.ar 29 PHE29 -0.0454 484 CD1 -59.2889 -10.6113 16.9587 C.ar 29 PHE29 -0.0585 485 HD1 -59.7929 -10.3951 16.0276 H 29 PHE29 0.0620 486 CD2 -57.5440 -10.1539 18.5380 C.ar 29 PHE29 -0.0585 487 HD2 -56.6827 -9.5783 18.8455 H 29 PHE29 0.0620 488 CE1 -59.7287 -11.6644 17.7447 C.ar 29 PHE29 -0.0615 489 HE1 -60.5788 -12.2432 17.4189 H 29 PHE29 0.0618 490 CE2 -57.9825 -11.2084 19.3299 C.ar 29 PHE29 -0.0615 491 HE2 -57.4714 -11.4419 20.2530 H 29 PHE29 0.0618 492 CZ -59.0704 -11.9704 18.9274 C.ar 29 PHE29 -0.0617 493 HZ -59.3977 -12.8057 19.5268 H 29 PHE29 0.0618 494 N -55.3480 -7.8250 14.0500 N.am 30 ARG30 -0.2456 495 H -54.5840 -8.3580 14.4650 H 30 ARG30 0.1312 496 CA -55.0510 -6.6680 13.2030 C.3 30 ARG30 0.0879 497 HA -55.7687 -5.8853 13.4466 H 30 ARG30 0.0557 498 C -55.1870 -6.9410 11.7210 C.2 30 ARG30 0.2187 499 O -55.0960 -6.0080 10.9340 O.2 30 ARG30 -0.2778 500 CB -53.6182 -6.1564 13.5256 C.3 30 ARG30 -0.0258 501 HB1 -53.3148 -5.4238 12.7783 H 30 ARG30 0.0286 502 HB2 -52.9121 -6.9835 13.4350 H 30 ARG30 0.0286 503 CG -53.4750 -5.5032 14.9198 C.3 30 ARG30 -0.0154 504 HG1 -53.7188 -6.2442 15.6698 H 30 ARG30 0.0299 505 HG2 -54.2182 -4.7138 15.0268 H 30 ARG30 0.0299 506 CD -52.0754 -4.9336 15.2505 C.3 30 ARG30 0.1045 507 HD1 -51.7699 -4.1765 14.5264 H 30 ARG30 0.0711 508 HD2 -51.3297 -5.7279 15.2473 H 30 ARG30 0.0711 509 NE -52.1038 -4.3021 16.5786 N.pl3 30 ARG30 -0.4450 510 HE -52.9660 -3.9929 16.9815 H 30 ARG30 0.3153 511 CZ -51.0942 -4.0709 17.4281 C.cat 30 ARG30 0.5062 512 NH1 -49.8506 -4.3704 17.1926 N.pl3 30 ARG30 -0.4573 513 HH11 -49.2163 -4.2162 17.9667 H 30 ARG30 0.3114 514 HH12 -49.5349 -4.7356 16.3275 H 30 ARG30 0.3114 515 NH2 -51.3435 -3.5193 18.5761 N.pl3 30 ARG30 -0.4573 516 HH21 -50.5828 -3.4292 19.2300 H 30 ARG30 0.3114 517 HH22 -52.2548 -3.1972 18.8225 H 30 ARG30 0.3114 518 N -55.2450 -8.2050 11.3200 N.am 31 GLN31 -0.2456 519 H -55.2560 -8.9440 12.0230 H 31 GLN31 0.1312 520 CA -55.2930 -8.5730 9.9210 C.3 31 GLN31 0.0885 521 HA -55.6896 -7.7190 9.3738 H 31 GLN31 0.0557 522 C -56.2520 -9.7420 9.7730 C.2 31 GLN31 0.2214 523 O -56.5020 -10.4530 10.7410 O.2 31 GLN31 -0.2776 524 CB -53.8723 -8.9406 9.4434 C.3 31 GLN31 -0.0210 525 HB1 -53.2193 -8.0763 9.5694 H 31 GLN31 0.0289 526 HB2 -53.9001 -9.1242 8.3702 H 31 GLN31 0.0289 527 CG -53.2374 -10.1739 10.1236 C.3 31 GLN31 0.0225 528 HG1 -52.3299 -10.4524 9.5891 H 31 GLN31 0.0356 529 HG2 -53.8992 -11.0393 10.0713 H 31 GLN31 0.0356 530 CD -52.8358 -9.9109 11.5860 C.2 31 GLN31 0.1981 531 OE1 -51.9107 -9.1628 11.8744 O.2 31 GLN31 -0.2798 532 NE2 -53.5824 -10.5674 12.4871 N.am 31 GLN31 -0.2724 533 HE21 -53.3892 -10.4620 13.4616 H 31 GLN31 0.1266 534 HE22 -54.3389 -11.1562 12.1997 H 31 GLN31 0.1266 535 N -56.7760 -9.9570 8.5610 N.am 32 PRO32 -0.2316 536 CA -57.6780 -11.0770 8.3670 C.3 32 PRO32 0.0907 537 HA -58.5521 -10.9016 8.9951 H 32 PRO32 0.0559 538 C -57.0170 -12.4020 8.7120 C.2 32 PRO32 0.2189 539 O -55.8170 -12.5780 8.5060 O.2 32 PRO32 -0.2778 540 CB -58.0313 -11.0057 6.8745 C.3 32 PRO32 -0.0276 541 HB1 -59.0701 -11.2766 6.6855 H 32 PRO32 0.0285 542 HB2 -57.4022 -11.6765 6.2867 H 32 PRO32 0.0285 543 CG -57.7254 -9.5697 6.4623 C.3 32 PRO32 -0.0379 544 HG1 -58.5976 -8.9486 6.6652 H 32 PRO32 0.0278 545 HG2 -57.4862 -9.4719 5.4039 H 32 PRO32 0.0278 546 CD -56.5817 -9.1306 7.3730 C.3 32 PRO32 0.0071 547 HD1 -55.6039 -9.3684 6.9558 H 32 PRO32 0.0431 548 HD2 -56.6693 -8.0718 7.6139 H 32 PRO32 0.0431 549 N -57.7990 -13.3100 9.2680 N.am 33 VAL33 -0.2454 550 H -58.7640 -13.0750 9.5020 H 33 VAL33 0.1312 551 CA -57.2910 -14.6420 9.5480 C.3 33 VAL33 0.0901 552 HA -56.4081 -14.5095 10.1775 H 33 VAL33 0.0560 553 C -56.8880 -15.3000 8.2570 C.2 33 VAL33 0.2189 554 O -57.6660 -15.3520 7.3030 O.2 33 VAL33 -0.2778 555 CB -58.3558 -15.4588 10.3083 C.3 33 VAL33 -0.0227 556 HB -59.1900 -15.6571 9.6332 H 33 VAL33 0.0315 557 CG1 -57.7908 -16.8078 10.7805 C.3 33 VAL33 -0.0608 558 HG11 -58.5347 -17.3810 11.3302 H 33 VAL33 0.0233 559 HG12 -56.9433 -16.6572 11.4478 H 33 VAL33 0.0233 560 HG13 -57.4571 -17.4231 9.9441 H 33 VAL33 0.0233 561 CG2 -58.9131 -14.6732 11.5070 C.3 33 VAL33 -0.0608 562 HG21 -59.6459 -15.2641 12.0502 H 33 VAL33 0.0233 563 HG22 -59.4194 -13.7572 11.2025 H 33 VAL33 0.0233 564 HG23 -58.1194 -14.3992 12.2025 H 33 VAL33 0.0233 565 N -55.6670 -15.8300 8.2380 N.am 34 ASP34 -0.2451 566 H -55.0730 -15.7170 9.0600 H 34 ASP34 0.1312 567 CA -55.1440 -16.5600 7.1020 C.3 34 ASP34 0.0977 568 HA -55.8351 -16.4932 6.2627 H 34 ASP34 0.0563 569 C -54.9420 -18.0340 7.5290 C.2 34 ASP34 0.2219 570 O -53.9650 -18.3480 8.2130 O.2 34 ASP34 -0.2776 571 CB -53.8059 -15.9687 6.6243 C.3 34 ASP34 0.0576 572 HB1 -53.0685 -15.9789 7.4251 H 34 ASP34 0.0394 573 HB2 -53.9464 -14.9265 6.3416 H 34 ASP34 0.0394 574 CG -53.2094 -16.7084 5.4014 C.2 34 ASP34 0.1780 575 OD1 -53.7562 -17.7233 4.9650 O.co2 34 ASP34 -0.6478 576 OD2 -52.1894 -16.2551 4.8946 O.co2 34 ASP34 -0.6478 577 N -55.9360 -18.9050 7.2560 N.am 35 PRO35 -0.2316 578 CA -55.8770 -20.2470 7.8080 C.3 35 PRO35 0.0907 579 HA -55.8586 -20.1339 8.8893 H 35 PRO35 0.0559 580 C -54.6640 -21.0610 7.3510 C.2 35 PRO35 0.2189 581 O -54.1600 -21.8710 8.1260 O.2 35 PRO35 -0.2778 582 CB -57.1790 -20.8985 7.3194 C.3 35 PRO35 -0.0276 583 HB1 -57.6461 -21.5173 8.0807 H 35 PRO35 0.0285 584 HB2 -57.0040 -21.5331 6.4489 H 35 PRO35 0.0285 585 CG -58.0809 -19.7456 6.9017 C.3 35 PRO35 -0.0379 586 HG1 -58.6630 -19.4082 7.7598 H 35 PRO35 0.0278 587 HG2 -58.7760 -20.0409 6.1197 H 35 PRO35 0.0278 588 CD -57.1316 -18.6310 6.4690 C.3 35 PRO35 0.0071 589 HD1 -56.8461 -18.6893 5.4173 H 35 PRO35 0.0431 590 HD2 -57.5434 -17.6537 6.7058 H 35 PRO35 0.0431 591 N -54.1960 -20.8230 6.1270 N.am 36 GLN36 -0.2456 592 H -54.6680 -20.1350 5.5400 H 36 GLN36 0.1312 593 CA -53.0130 -21.5290 5.5990 C.3 36 GLN36 0.0882 594 HA -53.1706 -22.6003 5.7272 H 36 GLN36 0.0557 595 C -51.7490 -21.1040 6.3690 C.2 36 GLN36 0.2187 596 O -51.0260 -21.9450 6.8980 O.2 36 GLN36 -0.2778 597 CB -52.8940 -21.1469 4.1149 C.3 36 GLN36 -0.0210 598 HB1 -52.9081 -20.0582 4.0327 H 36 GLN36 0.0289 599 HB2 -53.7858 -21.4959 3.5932 H 36 GLN36 0.0289 600 CG -51.6367 -21.6995 3.4218 C.3 36 GLN36 0.0225 601 HG1 -51.5917 -22.7835 3.5211 H 36 GLN36 0.0356 602 HG2 -50.7309 -21.2933 3.8718 H 36 GLN36 0.0356 603 CD -51.6197 -21.3502 1.9282 C.2 36 GLN36 0.1981 604 OE1 -51.5674 -22.2178 1.0664 O.2 36 GLN36 -0.2798 605 NE2 -51.6640 -20.0326 1.6778 N.am 36 GLN36 -0.2724 606 HE21 -51.6413 -19.6987 0.7374 H 36 GLN36 0.1266 607 HE22 -51.7265 -19.3653 2.4229 H 36 GLN36 0.1266 608 N -51.5350 -19.8010 6.5260 N.am 37 LEU37 -0.2456 609 H -52.1930 -19.1340 6.1240 H 37 LEU37 0.1312 610 CA -50.3640 -19.3030 7.2700 C.3 37 LEU37 0.0880 611 HA -49.4799 -19.7301 6.7965 H 37 LEU37 0.0557 612 C -50.3880 -19.7260 8.7460 C.2 37 LEU37 0.2187 613 O -49.3400 -20.0040 9.3350 O.2 37 LEU37 -0.2778 614 CB -50.3607 -17.7716 7.1444 C.3 37 LEU37 -0.0266 615 HB1 -51.3203 -17.3943 7.4975 H 37 LEU37 0.0287 616 HB2 -50.3113 -17.5110 6.0870 H 37 LEU37 0.0287 617 CG -49.2314 -17.0410 7.8946 C.3 37 LEU37 -0.0449 618 HG -49.3009 -17.2816 8.9557 H 37 LEU37 0.0296 619 CD1 -47.8450 -17.4691 7.3964 C.3 37 LEU37 -0.0626 620 HD11 -47.0577 -16.9211 7.9138 H 37 LEU37 0.0232 621 HD12 -47.7380 -17.2805 6.3279 H 37 LEU37 0.0232 622 HD13 -47.6712 -18.5310 7.5693 H 37 LEU37 0.0232 623 CD2 -49.4105 -15.5236 7.7637 C.3 37 LEU37 -0.0626 624 HD21 -48.6396 -14.9848 8.3144 H 37 LEU37 0.0232 625 HD22 -50.3797 -15.2104 8.1532 H 37 LEU37 0.0232 626 HD23 -49.3598 -15.2123 6.7196 H 37 LEU37 0.0232 627 N -51.5650 -19.6880 9.3640 N.am 38 LEU38 -0.2456 628 H -52.4040 -19.4640 8.8280 H 38 LEU38 0.1312 629 CA -51.6800 -19.9590 10.7870 C.3 38 LEU38 0.0880 630 HA -50.7850 -19.5830 11.2833 H 38 LEU38 0.0557 631 C -51.7910 -21.4350 11.1210 C.2 38 LEU38 0.2185 632 O -51.8020 -21.8020 12.2920 O.2 38 LEU38 -0.2778 633 CB -52.9152 -19.1908 11.2896 C.3 38 LEU38 -0.0266 634 HB1 -53.1294 -19.4438 12.3288 H 38 LEU38 0.0287 635 HB2 -53.7744 -19.5182 10.7077 H 38 LEU38 0.0287 636 CG -52.8136 -17.6593 11.1470 C.3 38 LEU38 -0.0449 637 HG -52.5444 -17.4124 10.1191 H 38 LEU38 0.0296 638 CD1 -54.1776 -17.0106 11.4122 C.3 38 LEU38 -0.0626 639 HD11 -54.1319 -15.9280 11.2918 H 38 LEU38 0.0232 640 HD12 -54.5325 -17.2241 12.4205 H 38 LEU38 0.0232 641 HD13 -54.9193 -17.3881 10.7080 H 38 LEU38 0.0232 642 CD2 -51.7357 -17.0668 12.0624 C.3 38 LEU38 -0.0626 643 HD21 -51.7391 -15.9774 12.0183 H 38 LEU38 0.0232 644 HD22 -50.7402 -17.4000 11.7705 H 38 LEU38 0.0232 645 HD23 -51.8971 -17.3617 13.0971 H 38 LEU38 0.0232 646 N -51.8610 -22.2770 10.0930 N.am 39 GLY39 -0.2485 647 H -51.8700 -21.9000 9.1450 H 39 GLY39 0.1309 648 CA -51.9250 -23.7230 10.2790 C.3 39 GLY39 0.0765 649 HA1 -51.0947 -24.0280 10.9167 H 39 GLY39 0.0521 650 HA2 -51.8067 -24.1769 9.2959 H 39 GLY39 0.0521 651 C -53.2430 -24.1660 10.8880 C.2 39 GLY39 0.2155 652 O -53.2890 -25.1190 11.6750 O.2 39 GLY39 -0.2781 653 N -54.3260 -23.5000 10.4890 N.am 40 ILE40 -0.2456 654 H -54.2290 -22.7680 9.7860 H 40 ILE40 0.1312 655 CA -55.6680 -23.7990 11.0440 C.3 40 ILE40 0.0906 656 HA -55.6322 -24.7217 11.6239 H 40 ILE40 0.0560 657 C -56.6720 -24.0110 9.9130 C.2 40 ILE40 0.2216 658 O -57.6040 -23.2360 9.6850 O.2 40 ILE40 -0.2776 659 CB -56.1121 -22.6538 11.9900 C.3 40 ILE40 -0.0201 660 HB -57.1386 -22.8592 12.2974 H 40 ILE40 0.0318 661 CG1 -56.0987 -21.2676 11.3091 C.3 40 ILE40 -0.0514 662 HG11 -56.8082 -21.2489 10.4875 H 40 ILE40 0.0266 663 HG12 -55.1230 -21.0920 10.8652 H 40 ILE40 0.0266 664 CG2 -55.2613 -22.6596 13.2684 C.3 40 ILE40 -0.0605 665 HG21 -55.6865 -22.0006 14.0233 H 40 ILE40 0.0233 666 HG22 -54.2400 -22.3354 13.0699 H 40 ILE40 0.0233 667 HG23 -55.2181 -23.6582 13.7037 H 40 ILE40 0.0233 668 CD1 -56.4545 -20.0968 12.2286 C.3 40 ILE40 -0.0650 669 HD11 -56.5795 -19.1809 11.6520 H 40 ILE40 0.0230 670 HD12 -55.6590 -19.9165 12.9465 H 40 ILE40 0.0230 671 HD13 -57.3808 -20.2836 12.7722 H 40 ILE40 0.0230 672 N -56.4950 -25.1050 9.1750 N.am 41 PRO41 -0.2316 673 CA -57.2170 -25.2170 7.9110 C.3 41 PRO41 0.0907 674 HA -57.0413 -24.3115 7.3275 H 41 PRO41 0.0559 675 C -58.7100 -25.4320 8.0400 C.2 41 PRO41 0.2189 676 O -59.3960 -25.2910 7.0430 O.2 41 PRO41 -0.2778 677 CB -56.5442 -26.4351 7.2636 C.3 41 PRO41 -0.0276 678 HB1 -55.6921 -26.0963 6.6735 H 41 PRO41 0.0285 679 HB2 -57.1956 -27.0010 6.5961 H 41 PRO41 0.0285 680 CG -56.0325 -27.2688 8.4378 C.3 41 PRO41 -0.0379 681 HG1 -55.2125 -27.9323 8.1639 H 41 PRO41 0.0278 682 HG2 -56.8460 -27.8826 8.8273 H 41 PRO41 0.0278 683 CD -55.6307 -26.2376 9.4908 C.3 41 PRO41 0.0071 684 HD1 -55.8182 -26.5807 10.5097 H 41 PRO41 0.0431 685 HD2 -54.5969 -25.9201 9.3645 H 41 PRO41 0.0431 686 N -59.2140 -25.7790 9.2260 N.am 42 ASP42 -0.2451 687 H -58.5790 -25.9930 9.9950 H 42 ASP42 0.1312 688 CA -60.6580 -25.8580 9.4450 C.3 42 ASP42 0.0974 689 HA -61.1313 -26.2671 8.5523 H 42 ASP42 0.0563 690 C -61.2990 -24.5240 9.7890 C.2 42 ASP42 0.2192 691 O -62.5050 -24.4790 10.0170 O.2 42 ASP42 -0.2778 692 CB -60.8792 -26.8046 10.6537 C.3 42 ASP42 0.0576 693 HB1 -60.4368 -27.7768 10.4440 H 42 ASP42 0.0394 694 HB2 -61.9446 -26.9794 10.8064 H 42 ASP42 0.0394 695 CG -60.2703 -26.3041 11.9952 C.2 42 ASP42 0.1780 696 OD1 -59.0833 -25.9869 12.0438 O.co2 42 ASP42 -0.6478 697 OD2 -60.9900 -26.2363 12.9899 O.co2 42 ASP42 -0.6478 698 N -60.5630 -23.4230 9.7860 N.am 43 TYR43 -0.2453 699 H -59.6260 -23.4360 9.3830 H 43 TYR43 0.1312 700 CA -61.0940 -22.1900 10.3600 C.3 43 TYR43 0.0917 701 HA -61.3281 -22.4203 11.4010 H 43 TYR43 0.0560 702 C -62.3960 -21.7430 9.6780 C.2 43 TYR43 0.2190 703 O -63.3580 -21.4130 10.3620 O.2 43 TYR43 -0.2778 704 CB -60.0070 -21.1034 10.3054 C.3 43 TYR43 -0.0036 705 HB1 -59.7137 -20.9103 9.2735 H 43 TYR43 0.0333 706 HB2 -59.1137 -21.4655 10.8150 H 43 TYR43 0.0333 707 CG -60.4455 -19.8198 10.9631 C.ar 43 TYR43 -0.0453 708 CD1 -60.3853 -19.6817 12.3451 C.ar 43 TYR43 -0.0561 709 HD1 -59.9908 -20.4881 12.9446 H 43 TYR43 0.0621 710 CD2 -60.9455 -18.7679 10.2029 C.ar 43 TYR43 -0.0561 711 HD2 -60.9861 -18.8620 9.1297 H 43 TYR43 0.0621 712 CE1 -60.8431 -18.5241 12.9606 C.ar 43 TYR43 -0.0317 713 HE1 -60.8114 -18.4318 14.0358 H 43 TYR43 0.0643 714 CE2 -61.4053 -17.6081 10.8134 C.ar 43 TYR43 -0.0317 715 HE2 -61.8014 -16.8020 10.2146 H 43 TYR43 0.0643 716 CZ -61.3596 -17.4891 12.1951 C.ar 43 TYR43 0.0726 717 OH -61.8259 -16.3446 12.8092 O.3 43 TYR43 -0.3598 718 HH -62.0449 -15.6979 12.1515 H 43 TYR43 0.2173 719 N -62.4410 -21.7060 8.3420 N.am 44 PHE44 -0.2453 720 H -61.6350 -22.0130 7.7970 H 44 PHE44 0.1312 721 CA -63.6470 -21.2240 7.6570 C.3 44 PHE44 0.0917 722 HA -63.9921 -20.3308 8.1783 H 44 PHE44 0.0560 723 C -64.7800 -22.2400 7.7620 C.2 44 PHE44 0.2190 724 O -65.9230 -21.8620 7.5390 O.2 44 PHE44 -0.2778 725 CB -63.3593 -20.9173 6.1746 C.3 44 PHE44 -0.0036 726 HB1 -64.2831 -20.6309 5.6700 H 44 PHE44 0.0333 727 HB2 -63.0105 -21.8267 5.6827 H 44 PHE44 0.0333 728 CG -62.3571 -19.8118 5.9314 C.ar 44 PHE44 -0.0454 729 CD1 -62.3086 -18.6708 6.7315 C.ar 44 PHE44 -0.0585 730 HD1 -62.9731 -18.5567 7.5739 H 44 PHE44 0.0620 731 CD2 -61.5053 -19.8868 4.8318 C.ar 44 PHE44 -0.0585 732 HD2 -61.5383 -20.7484 4.1808 H 44 PHE44 0.0620 733 CE1 -61.3959 -17.6565 6.4692 C.ar 44 PHE44 -0.0615 734 HE1 -61.3478 -16.7889 7.1115 H 44 PHE44 0.0618 735 CE2 -60.6157 -18.8584 4.5471 C.ar 44 PHE44 -0.0615 736 HE2 -59.9566 -18.9320 3.6941 H 44 PHE44 0.0618 737 CZ -60.5495 -17.7478 5.3752 C.ar 44 PHE44 -0.0617 738 HZ -59.8399 -16.9581 5.1709 H 44 PHE44 0.0618 739 N -64.4930 -23.5000 8.1170 N.am 45 ASP45 -0.2451 740 H -63.5210 -23.7920 8.2150 H 45 ASP45 0.1312 741 CA -65.5630 -24.4510 8.3630 C.3 45 ASP45 0.0974 742 HA -66.2846 -24.0199 7.6750 H 45 ASP45 0.0563 743 C -66.2920 -24.1300 9.6760 C.2 45 ASP45 0.2192 744 O -67.4370 -24.5020 9.8530 O.2 45 ASP45 -0.2778 745 CB -65.5929 -25.9108 7.8507 C.3 45 ASP45 0.0576 746 HB1 -65.3278 -26.6267 8.6282 H 45 ASP45 0.0394 747 HB2 -64.9217 -26.0491 7.0042 H 45 ASP45 0.0394 748 CG -67.0686 -26.1379 7.3702 C.2 45 ASP45 0.1780 749 OD1 -67.8957 -26.6777 8.0927 O.co2 45 ASP45 -0.6478 750 OD2 -67.4178 -25.6929 6.2791 O.co2 45 ASP45 -0.6478 751 N -65.5520 -23.5920 10.6470 N.am 46 ILE46 -0.2454 752 H -64.5650 -23.4150 10.4620 H 46 ILE46 0.1312 753 CA -66.0860 -23.2420 11.9660 C.3 46 ILE46 0.0903 754 HA -66.8993 -23.9291 12.2025 H 46 ILE46 0.0560 755 C -66.6500 -21.8140 11.9630 C.2 46 ILE46 0.2189 756 O -67.6990 -21.5610 12.5610 O.2 46 ILE46 -0.2778 757 CB -64.9584 -23.3681 13.0196 C.3 46 ILE46 -0.0201 758 HB -64.1753 -22.6571 12.7500 H 46 ILE46 0.0318 759 CG1 -64.2844 -24.7554 13.0145 C.3 46 ILE46 -0.0514 760 HG11 -63.4881 -24.7723 13.7597 H 46 ILE46 0.0266 761 HG12 -63.7814 -24.9258 12.0638 H 46 ILE46 0.0266 762 CG2 -65.4361 -22.9965 14.4369 C.3 46 ILE46 -0.0605 763 HG21 -64.6541 -23.1694 15.1761 H 46 ILE46 0.0233 764 HG22 -66.3038 -23.5872 14.7300 H 46 ILE46 0.0233 765 HG23 -65.7142 -21.9445 14.5040 H 46 ILE46 0.0233 766 CD1 -65.2422 -25.9226 13.2801 C.3 46 ILE46 -0.0650 767 HD11 -64.6935 -26.8645 13.3017 H 46 ILE46 0.0230 768 HD12 -65.9976 -26.0048 12.4987 H 46 ILE46 0.0230 769 HD13 -65.7505 -25.8139 14.2375 H 46 ILE46 0.0230 770 N -65.8940 -20.8840 11.3780 N.am 47 VAL47 -0.2454 771 H -65.0520 -21.1850 10.8880 H 47 VAL47 0.1312 772 CA -66.2100 -19.4540 11.4030 C.3 47 VAL47 0.0901 773 HA -66.9757 -19.2795 12.1618 H 47 VAL47 0.0560 774 C -66.7900 -19.0710 10.0320 C.2 47 VAL47 0.2189 775 O -66.0960 -18.9400 9.0350 O.2 47 VAL47 -0.2778 776 CB -64.9508 -18.6453 11.7750 C.3 47 VAL47 -0.0227 777 HB -64.1386 -18.9402 11.1087 H 47 VAL47 0.0315 778 CG1 -65.1667 -17.1313 11.6073 C.3 47 VAL47 -0.0608 779 HG11 -64.3146 -16.5632 11.9792 H 47 VAL47 0.0233 780 HG12 -66.0516 -16.8039 12.1508 H 47 VAL47 0.0233 781 HG13 -65.3031 -16.8582 10.5609 H 47 VAL47 0.0233 782 CG2 -64.5215 -18.9672 13.2170 C.3 47 VAL47 -0.0608 783 HG21 -63.6717 -18.3615 13.5268 H 47 VAL47 0.0233 784 HG22 -64.2332 -20.0137 13.3243 H 47 VAL47 0.0233 785 HG23 -65.3298 -18.7703 13.9219 H 47 VAL47 0.0233 786 N -68.1050 -18.8920 10.0240 N.am 48 LYS48 -0.2456 787 H -68.6200 -18.9320 10.9030 H 48 LYS48 0.1312 788 CA -68.8290 -18.6390 8.7800 C.3 48 LYS48 0.0878 789 HA -68.3216 -19.2652 8.0432 H 48 LYS48 0.0557 790 C -68.5330 -17.2380 8.2290 C.2 48 LYS48 0.2187 791 O -68.4940 -17.0490 7.0180 O.2 48 LYS48 -0.2778 792 CB -70.2548 -19.2137 8.7839 C.3 48 LYS48 -0.0289 793 HB1 -70.7099 -19.0372 7.8086 H 48 LYS48 0.0285 794 HB2 -70.8612 -18.6635 9.5040 H 48 LYS48 0.0285 795 CG -70.3178 -20.7428 9.1032 C.3 48 LYS48 -0.0496 796 HG1 -71.3649 -21.0443 9.0613 H 48 LYS48 0.0266 797 HG2 -70.0120 -20.9010 10.1384 H 48 LYS48 0.0266 798 CD -69.4931 -21.7040 8.1928 C.3 48 LYS48 -0.0278 799 HD1 -68.4306 -21.5281 8.3667 H 48 LYS48 0.0282 800 HD2 -69.6757 -21.4617 7.1455 H 48 LYS48 0.0282 801 CE -69.7976 -23.2127 8.4311 C.3 48 LYS48 0.1103 802 HE1 -70.8232 -23.4353 8.1333 H 48 LYS48 0.0559 803 HE2 -69.7373 -23.4177 9.5017 H 48 LYS48 0.0559 804 NZ -68.9189 -24.1953 7.7664 N.4 48 LYS48 -0.0749 805 HZ1 -67.9322 -24.0787 8.0624 H 48 LYS48 0.2742 806 HZ2 -68.9339 -24.1626 6.7279 H 48 LYS48 0.2742 807 HZ3 -69.1147 -25.1877 8.0391 H 48 LYS48 0.2742 808 N -68.3500 -16.2650 9.1160 N.am 49 ASN49 -0.2452 809 H -68.3220 -16.5050 10.1070 H 49 ASN49 0.1312 810 CA -68.1880 -14.8660 8.7300 C.3 49 ASN49 0.0959 811 HA -68.0193 -14.7900 7.6545 H 49 ASN49 0.0562 812 C -66.9840 -14.2780 9.4640 C.2 49 ASN49 0.2218 813 O -67.1170 -13.6360 10.5070 O.2 49 ASN49 -0.2776 814 CB -69.4600 -14.0902 9.1122 C.3 49 ASN49 0.0446 815 HB1 -69.3590 -13.0305 8.8758 H 49 ASN49 0.0375 816 HB2 -69.6561 -14.1649 10.1818 H 49 ASN49 0.0375 817 CG -70.6802 -14.6514 8.3713 C.2 49 ASN49 0.2000 818 OD1 -71.3558 -15.5580 8.8388 O.2 49 ASN49 -0.2797 819 ND2 -70.9197 -14.0603 7.1915 N.am 49 ASN49 -0.2723 820 HD21 -71.6989 -14.3680 6.6469 H 49 ASN49 0.1266 821 HD22 -70.3394 -13.3237 6.8474 H 49 ASN49 0.1266 822 N -65.7820 -14.4990 8.9210 N.am 50 PRO50 -0.2316 823 CA -64.5790 -13.9260 9.5340 C.3 50 PRO50 0.0907 824 HA -64.4883 -14.3587 10.5313 H 50 PRO50 0.0559 825 C -64.6350 -12.4100 9.6120 C.2 50 PRO50 0.2189 826 O -65.2560 -11.7510 8.7580 O.2 50 PRO50 -0.2778 827 CB -63.4477 -14.3922 8.6041 C.3 50 PRO50 -0.0276 828 HB1 -62.5345 -14.6345 9.1481 H 50 PRO50 0.0285 829 HB2 -63.1950 -13.6192 7.8755 H 50 PRO50 0.0285 830 CG -64.0184 -15.5918 7.8522 C.3 50 PRO50 -0.0379 831 HG1 -63.8639 -16.4948 8.4441 H 50 PRO50 0.0278 832 HG2 -63.5511 -15.7411 6.8793 H 50 PRO50 0.0278 833 CD -65.5153 -15.3134 7.7397 C.3 50 PRO50 0.0071 834 HD1 -65.7651 -14.7133 6.8636 H 50 PRO50 0.0431 835 HD2 -66.0932 -16.2353 7.7585 H 50 PRO50 0.0431 836 N -63.9880 -11.8310 10.6080 N.am 51 MET51 -0.2456 837 H -63.5030 -12.4140 11.2900 H 51 MET51 0.1312 838 CA -63.9500 -10.3930 10.7570 C.3 51 MET51 0.0885 839 HA -63.8346 -9.9654 9.7589 H 51 MET51 0.0557 840 C -62.7100 -10.0240 11.5430 C.2 51 MET51 0.2187 841 O -62.3010 -10.7790 12.4260 O.2 51 MET51 -0.2778 842 CB -65.2414 -9.8976 11.4357 C.3 51 MET51 -0.0199 843 HB1 -65.3140 -10.3073 12.4440 H 51 MET51 0.0293 844 HB2 -66.0955 -10.3062 10.8977 H 51 MET51 0.0293 845 CG -65.3773 -8.3655 11.4964 C.3 51 MET51 -0.0047 846 HG1 -64.6779 -7.9642 12.2290 H 51 MET51 0.0377 847 HG2 -66.3822 -8.1060 11.8322 H 51 MET51 0.0377 848 SD -65.0630 -7.5519 9.9116 S.3 51 MET51 -0.1641 849 CE -66.1585 -8.4981 8.8387 C.3 51 MET51 -0.0181 850 HE1 -66.5604 -7.8466 8.0654 H 51 MET51 0.0340 851 HE2 -67.0039 -8.8995 9.3972 H 51 MET51 0.0340 852 HE3 -65.6149 -9.3098 8.3578 H 51 MET51 0.0340 853 N -62.1450 -8.8510 11.2700 N.am 52 ASP52 -0.2451 854 H -62.5870 -8.2420 10.5810 H 52 ASP52 0.1312 855 CA -60.9110 -8.3990 11.9210 C.3 52 ASP52 0.0974 856 HA -60.9180 -8.7442 12.9542 H 52 ASP52 0.0563 857 C -60.8770 -6.8760 11.9120 C.2 52 ASP52 0.2192 858 O -61.6850 -6.2250 11.2290 O.2 52 ASP52 -0.2778 859 CB -59.6915 -8.9588 11.1550 C.3 52 ASP52 0.0576 860 HB1 -59.7331 -10.0464 11.1196 H 52 ASP52 0.0394 861 HB2 -58.7591 -8.7026 11.6570 H 52 ASP52 0.0394 862 CG -59.6238 -8.4332 9.7087 C.2 52 ASP52 0.1780 863 OD1 -60.2801 -8.9989 8.8406 O.co2 52 ASP52 -0.6478 864 OD2 -58.9152 -7.4608 9.4650 O.co2 52 ASP52 -0.6478 865 N -59.9180 -6.3260 12.6390 N.am 53 LEU53 -0.2456 866 H -59.2300 -6.9160 13.1060 H 53 LEU53 0.1312 867 CA -59.8450 -4.8800 12.7720 C.3 53 LEU53 0.0880 868 HA -60.8035 -4.5499 13.1743 H 53 LEU53 0.0557 869 C -59.6510 -4.1780 11.4410 C.2 53 LEU53 0.2187 870 O -60.2030 -3.1140 11.2200 O.2 53 LEU53 -0.2778 871 CB -58.7000 -4.5110 13.7366 C.3 53 LEU53 -0.0266 872 HB1 -58.5531 -3.4301 13.7435 H 53 LEU53 0.0287 873 HB2 -57.7764 -4.9364 13.3447 H 53 LEU53 0.0287 874 CG -58.9067 -4.9897 15.1890 C.3 53 LEU53 -0.0449 875 HG -59.1998 -6.0399 15.1726 H 53 LEU53 0.0296 876 CD1 -57.6009 -4.8996 15.9924 C.3 53 LEU53 -0.0626 877 HD11 -57.7400 -5.2826 17.0036 H 53 LEU53 0.0232 878 HD12 -57.2540 -3.8692 16.0713 H 53 LEU53 0.0232 879 HD13 -56.8084 -5.4863 15.5280 H 53 LEU53 0.0232 880 CD2 -60.0154 -4.1944 15.8947 C.3 53 LEU53 -0.0626 881 HD21 -60.1253 -4.5079 16.9327 H 53 LEU53 0.0232 882 HD22 -60.9807 -4.3348 15.4085 H 53 LEU53 0.0232 883 HD23 -59.7919 -3.1270 15.8972 H 53 LEU53 0.0232 884 N -58.7830 -4.7060 10.5850 N.am 54 SER54 -0.2436 885 H -58.3200 -5.5860 10.8130 H 54 SER54 0.1312 886 CA -58.4870 -4.0440 9.3310 C.3 54 SER54 0.1109 887 HA -58.2082 -3.0170 9.5685 H 54 SER54 0.0580 888 C -59.6870 -4.0050 8.4170 C.2 54 SER54 0.2210 889 O -59.8950 -3.0110 7.6980 O.2 54 SER54 -0.2777 890 CB -57.3119 -4.7317 8.6178 C.3 54 SER54 0.0681 891 HB1 -57.5302 -5.7781 8.3776 H 54 SER54 0.0577 892 HB2 -56.4506 -4.7558 9.2840 H 54 SER54 0.0577 893 OG -56.9224 -4.0244 7.4482 O.3 54 SER54 -0.3930 894 HG -57.6565 -4.0090 6.8412 H 54 SER54 0.2095 895 N -60.5070 -5.0580 8.4420 N.am 55 THR55 -0.2433 896 H -60.2820 -5.8600 9.0310 H 55 THR55 0.1313 897 CA -61.7220 -5.0720 7.6350 C.3 55 THR55 0.1135 898 HA -61.4396 -4.8007 6.6175 H 55 THR55 0.0583 899 C -62.7300 -4.0490 8.1380 C.2 55 THR55 0.2212 900 O -63.3640 -3.3480 7.3520 O.2 55 THR55 -0.2777 901 CB -62.3160 -6.4958 7.6315 C.3 55 THR55 0.0763 902 HB -62.4293 -6.8629 8.6624 H 55 THR55 0.0611 903 OG1 -61.4704 -7.3455 6.8761 O.3 55 THR55 -0.3900 904 HG1 -60.7127 -7.6130 7.4063 H 55 THR55 0.2098 905 CG2 -63.6868 -6.5821 6.9507 C.3 55 THR55 -0.0370 906 HG21 -64.0101 -7.6206 6.8781 H 55 THR55 0.0255 907 HG22 -63.6519 -6.1696 5.9427 H 55 THR55 0.0255 908 HG23 -64.4444 -6.0441 7.5176 H 55 THR55 0.0255 909 N -62.8590 -3.9390 9.4460 N.am 56 ILE56 -0.2453 910 H -62.3170 -4.5480 10.0590 H 56 ILE56 0.1312 911 CA -63.7660 -2.9580 10.0250 C.3 56 ILE56 0.0903 912 HA -64.7449 -3.1058 9.5677 H 56 ILE56 0.0560 913 C -63.2910 -1.5450 9.6850 C.2 56 ILE56 0.2189 914 O -64.0940 -0.6910 9.2960 O.2 56 ILE56 -0.2778 915 CB -63.8559 -3.2124 11.5467 C.3 56 ILE56 -0.0201 916 HB -62.8421 -3.2056 11.9515 H 56 ILE56 0.0318 917 CG1 -64.4696 -4.6004 11.8151 C.3 56 ILE56 -0.0514 918 HG11 -63.8960 -5.3705 11.3053 H 56 ILE56 0.0266 919 HG12 -65.4608 -4.6402 11.3674 H 56 ILE56 0.0266 920 CG2 -64.6575 -2.1221 12.2753 C.3 56 ILE56 -0.0605 921 HG21 -64.6230 -2.2642 13.3548 H 56 ILE56 0.0233 922 HG22 -65.7045 -2.1326 11.9764 H 56 ILE56 0.0233 923 HG23 -64.2598 -1.1284 12.0764 H 56 ILE56 0.0233 924 CD1 -64.5488 -4.9778 13.2994 C.3 56 ILE56 -0.0650 925 HD11 -64.8873 -6.0065 13.4194 H 56 ILE56 0.0230 926 HD12 -65.2574 -4.3461 13.8327 H 56 ILE56 0.0230 927 HD13 -63.5750 -4.8902 13.7819 H 56 ILE56 0.0230 928 N -61.9860 -1.3080 9.7740 N.am 57 LYS57 -0.2456 929 H -61.3560 -2.0400 10.1020 H 57 LYS57 0.1312 930 CA -61.4540 0.0030 9.4010 C.3 57 LYS57 0.0878 931 HA -62.0070 0.7090 10.0241 H 57 LYS57 0.0557 932 C -61.7880 0.3290 7.9570 C.2 57 LYS57 0.2187 933 O -62.1920 1.4530 7.6280 O.2 57 LYS57 -0.2778 934 CB -59.9552 0.1978 9.6668 C.3 57 LYS57 -0.0289 935 HB1 -59.3601 -0.2861 8.8905 H 57 LYS57 0.0285 936 HB2 -59.6684 -0.2685 10.6096 H 57 LYS57 0.0285 937 CG -59.6788 1.7114 9.7290 C.3 57 LYS57 -0.0496 938 HG1 -60.0829 2.0952 10.6641 H 57 LYS57 0.0266 939 HG2 -60.2362 2.2122 8.9389 H 57 LYS57 0.0266 940 CD -58.2203 2.1410 9.5914 C.3 57 LYS57 -0.0278 941 HD1 -57.8028 1.7424 8.6659 H 57 LYS57 0.0282 942 HD2 -57.6326 1.7207 10.4087 H 57 LYS57 0.0282 943 CE -58.1121 3.6744 9.5985 C.3 57 LYS57 0.1103 944 HE1 -57.0662 3.9768 9.5205 H 57 LYS57 0.0559 945 HE2 -58.4897 4.0748 10.5418 H 57 LYS57 0.0559 946 NZ -58.8532 4.3113 8.5039 N.4 57 LYS57 -0.0749 947 HZ1 -58.7875 5.3439 8.5320 H 57 LYS57 0.2742 948 HZ2 -59.8624 4.0513 8.4986 H 57 LYS57 0.2742 949 HZ3 -58.5279 3.9729 7.5730 H 57 LYS57 0.2742 950 N -61.6060 -0.6390 7.0750 N.am 58 ARG58 -0.2457 951 H -61.2690 -1.5480 7.3930 H 58 ARG58 0.1312 952 CA -61.8760 -0.4360 5.6610 C.3 58 ARG58 0.0879 953 HA -61.3110 0.4549 5.3901 H 58 ARG58 0.0557 954 C -63.3540 -0.1530 5.4400 C.2 58 ARG58 0.2187 955 O -63.7020 0.6720 4.5840 O.2 58 ARG58 -0.2778 956 CB -61.3927 -1.6540 4.8611 C.3 58 ARG58 -0.0258 957 HB1 -61.9704 -2.5366 5.1417 H 58 ARG58 0.0286 958 HB2 -60.3626 -1.8744 5.1447 H 58 ARG58 0.0286 959 CG -61.4603 -1.4440 3.3391 C.3 58 ARG58 -0.0154 960 HG1 -62.5004 -1.3569 3.0221 H 58 ARG58 0.0299 961 HG2 -61.0620 -2.3303 2.8442 H 58 ARG58 0.0299 962 CD -60.6782 -0.2039 2.8849 C.3 58 ARG58 0.1045 963 HD1 -59.6443 -0.2471 3.2383 H 58 ARG58 0.0711 964 HD2 -61.1487 0.7036 3.2704 H 58 ARG58 0.0711 965 NE -60.6583 -0.1193 1.4251 N.pl3 58 ARG58 -0.4450 966 HE -60.9865 -0.9038 0.9006 H 58 ARG58 0.3153 967 CZ -60.2233 0.9506 0.7644 C.cat 58 ARG58 0.5062 968 NH1 -60.2436 0.9498 -0.5410 N.pl3 58 ARG58 -0.4573 969 HH11 -59.9199 1.7440 -1.0496 H 58 ARG58 0.3114 970 HH12 -60.5840 0.1515 -1.0322 H 58 ARG58 0.3114 971 NH2 -59.7762 2.0042 1.3977 N.pl3 58 ARG58 -0.4573 972 HH21 -59.4560 2.8033 0.8950 H 58 ARG58 0.3114 973 HH22 -59.7562 2.0053 2.3952 H 58 ARG58 0.3114 974 N -64.2550 -0.7990 6.1930 N.am 59 LYS59 -0.2457 975 H -63.9400 -1.5100 6.8530 H 59 LYS59 0.1312 976 CA -65.6610 -0.5050 6.0850 C.3 59 LYS59 0.0878 977 HA -65.9102 -0.5712 5.0269 H 59 LYS59 0.0557 978 C -65.9910 0.9160 6.5160 C.2 59 LYS59 0.2187 979 O -66.8140 1.5750 5.8820 O.2 59 LYS59 -0.2778 980 CB -66.4040 -1.6125 6.8553 C.3 59 LYS59 -0.0289 981 HB1 -67.4523 -1.3573 6.9980 H 59 LYS59 0.0285 982 HB2 -65.9677 -1.7006 7.8499 H 59 LYS59 0.0285 983 CG -66.3099 -2.9687 6.1257 C.3 59 LYS59 -0.0496 984 HG1 -65.3097 -3.0883 5.7092 H 59 LYS59 0.0266 985 HG2 -66.9823 -2.9706 5.2674 H 59 LYS59 0.0266 986 CD -66.5758 -4.1997 7.0061 C.3 59 LYS59 -0.0278 987 HD1 -65.9281 -4.1759 7.8832 H 59 LYS59 0.0282 988 HD2 -66.2851 -5.0860 6.4412 H 59 LYS59 0.0282 989 CE -68.0347 -4.3602 7.4423 C.3 59 LYS59 0.1103 990 HE1 -68.7116 -4.2927 6.5896 H 59 LYS59 0.0559 991 HE2 -68.3119 -3.5720 8.1404 H 59 LYS59 0.0559 992 NZ -68.2728 -5.6366 8.1049 N.4 59 LYS59 -0.0749 993 HZ1 -69.2213 -5.6614 8.5442 H 59 LYS59 0.2742 994 HZ2 -67.6771 -5.7365 8.9574 H 59 LYS59 0.2742 995 HZ3 -68.1324 -6.4558 7.4926 H 59 LYS59 0.2742 996 N -65.3690 1.4020 7.5920 N.am 60 LEU60 -0.2456 997 H -64.7820 0.7940 8.1630 H 60 LEU60 0.1312 998 CA -65.5360 2.8220 7.9500 C.3 60 LEU60 0.0880 999 HA -66.6029 3.0202 8.0586 H 60 LEU60 0.0557 1000 C -64.9820 3.7400 6.8810 C.2 60 LEU60 0.2187 1001 O -65.5660 4.7890 6.5760 O.2 60 LEU60 -0.2778 1002 CB -64.7671 3.1368 9.2566 C.3 60 LEU60 -0.0266 1003 HB1 -64.7506 4.2156 9.4235 H 60 LEU60 0.0287 1004 HB2 -63.7255 2.8422 9.1229 H 60 LEU60 0.0287 1005 CG -65.2973 2.4757 10.5419 C.3 60 LEU60 -0.0449 1006 HG -65.4058 1.4065 10.3669 H 60 LEU60 0.0296 1007 CD1 -64.2850 2.6418 11.6846 C.3 60 LEU60 -0.0626 1008 HD11 -64.6247 2.1414 12.5905 H 60 LEU60 0.0232 1009 HD12 -64.1361 3.6937 11.9305 H 60 LEU60 0.0232 1010 HD13 -63.3157 2.2197 11.4191 H 60 LEU60 0.0232 1011 CD2 -66.6537 3.0592 10.9653 C.3 60 LEU60 -0.0626 1012 HD21 -67.0423 2.5516 11.8483 H 60 LEU60 0.0232 1013 HD22 -67.3980 2.9655 10.1781 H 60 LEU60 0.0232 1014 HD23 -66.5678 4.1186 11.2084 H 60 LEU60 0.0232 1015 N -63.8350 3.4030 6.3370 N.am 61 ASP61 -0.2451 1016 H -63.4000 2.5220 6.6100 H 61 ASP61 0.1312 1017 CA -63.1640 4.2450 5.3570 C.3 61 ASP61 0.0974 1018 HA -63.1615 5.2573 5.7552 H 61 ASP61 0.0563 1019 C -63.9100 4.3170 4.0330 C.2 61 ASP61 0.2193 1020 O -63.7070 5.2390 3.2570 O.2 61 ASP61 -0.2778 1021 CB -61.7146 3.7864 5.1027 C.3 61 ASP61 0.0576 1022 HB1 -61.3378 4.2239 4.1784 H 61 ASP61 0.0394 1023 HB2 -61.6966 2.7063 4.9626 H 61 ASP61 0.0394 1024 CG -60.6719 4.1640 6.1836 C.2 61 ASP61 0.1780 1025 OD1 -60.8022 5.1636 6.8940 O.co2 61 ASP61 -0.6478 1026 OD2 -59.6888 3.4443 6.3125 O.co2 61 ASP61 -0.6478 1027 N -64.7480 3.3240 3.7540 N.am 62 THR62 -0.2434 1028 H -64.9070 2.6030 4.4580 H 62 THR62 0.1313 1029 CA -65.4500 3.2260 2.4760 C.3 62 THR62 0.1135 1030 HA -65.2044 4.0990 1.8702 H 62 THR62 0.0583 1031 C -66.9510 3.2810 2.6550 C.2 62 THR62 0.2210 1032 O -67.6990 2.8950 1.7450 O.2 62 THR62 -0.2777 1033 CB -65.0226 1.9639 1.6975 C.3 62 THR62 0.0763 1034 HB -65.5744 1.9642 0.7485 H 62 THR62 0.0611 1035 OG1 -65.3394 0.7919 2.4322 O.3 62 THR62 -0.3900 1036 HG1 -65.1773 0.0083 1.9168 H 62 THR62 0.2098 1037 CG2 -63.5187 1.9867 1.3875 C.3 62 THR62 -0.0370 1038 HG21 -63.2330 1.1603 0.7374 H 62 THR62 0.0255 1039 HG22 -62.9295 1.9155 2.3013 H 62 THR62 0.0255 1040 HG23 -63.2410 2.9124 0.8833 H 62 THR62 0.0255 1041 N -67.4090 3.8240 3.7780 N.am 63 GLY63 -0.2484 1042 H -66.7690 4.0310 4.5450 H 63 GLY63 0.1309 1043 CA -68.8250 4.1220 3.9080 C.3 63 GLY63 0.0765 1044 HA1 -69.0953 4.8313 3.1244 H 63 GLY63 0.0521 1045 HA2 -68.9559 4.6133 4.8717 H 63 GLY63 0.0521 1046 C -69.7410 2.9160 3.8400 C.2 63 GLY63 0.2155 1047 O -70.8530 3.0060 3.3100 O.2 63 GLY63 -0.2781 1048 N -69.3090 1.7920 4.4100 N.am 64 GLN64 -0.2459 1049 H -68.4170 1.7850 4.9050 H 64 GLN64 0.1312 1050 CA -70.1080 0.5640 4.3300 C.3 64 GLN64 0.0882 1051 HA -70.6361 0.5618 3.3748 H 64 GLN64 0.0557 1052 C -71.1610 0.4100 5.4160 C.2 64 GLN64 0.2187 1053 O -71.9880 -0.5080 5.3150 O.2 64 GLN64 -0.2778 1054 CB -69.1456 -0.6341 4.3781 C.3 64 GLN64 -0.0210 1055 HB1 -69.6981 -1.5712 4.2885 H 64 GLN64 0.0289 1056 HB2 -68.6763 -0.6531 5.3598 H 64 GLN64 0.0289 1057 CG -68.0331 -0.5880 3.3171 C.3 64 GLN64 0.0225 1058 HG1 -67.3009 -1.3673 3.5203 H 64 GLN64 0.0356 1059 HG2 -67.5021 0.3611 3.3470 H 64 GLN64 0.0356 1060 CD -68.5537 -0.8378 1.8987 C.2 64 GLN64 0.1981 1061 OE1 -68.5385 -1.9571 1.4069 O.2 64 GLN64 -0.2798 1062 NE2 -69.0049 0.2576 1.2721 N.am 64 GLN64 -0.2724 1063 HE21 -69.3740 0.1796 0.3469 H 64 GLN64 0.1266 1064 HE22 -68.9825 1.1572 1.7098 H 64 GLN64 0.1266 1065 N -71.1330 1.2510 6.4420 N.am 65 TYR65 -0.2453 1066 H -70.3840 1.9400 6.5020 H 65 TYR65 0.1312 1067 CA -72.1500 1.2110 7.4860 C.3 65 TYR65 0.0917 1068 HA -72.6849 0.2605 7.4469 H 65 TYR65 0.0560 1069 C -73.1190 2.3590 7.3010 C.2 65 TYR65 0.2190 1070 O -72.7040 3.4980 7.0590 O.2 65 TYR65 -0.2778 1071 CB -71.5064 1.4045 8.8708 C.3 65 TYR65 -0.0036 1072 HB1 -72.2584 1.2746 9.6519 H 65 TYR65 0.0333 1073 HB2 -71.1302 2.4234 8.9817 H 65 TYR65 0.0333 1074 CG -70.3738 0.4543 9.1377 C.ar 65 TYR65 -0.0453 1075 CD1 -70.6276 -0.8619 9.5027 C.ar 65 TYR65 -0.0561 1076 HD1 -71.6424 -1.2237 9.5580 H 65 TYR65 0.0621 1077 CD2 -69.0566 0.8940 9.0684 C.ar 65 TYR65 -0.0561 1078 HD2 -68.8416 1.9104 8.7730 H 65 TYR65 0.0621 1079 CE1 -69.5829 -1.7212 9.8083 C.ar 65 TYR65 -0.0317 1080 HE1 -69.7961 -2.7334 10.1124 H 65 TYR65 0.0643 1081 CE2 -68.0133 0.0368 9.3849 C.ar 65 TYR65 -0.0317 1082 HE2 -66.9939 0.3753 9.3294 H 65 TYR65 0.0643 1083 CZ -68.2728 -1.2721 9.7517 C.ar 65 TYR65 0.0726 1084 OH -67.2250 -2.1308 10.0120 O.3 65 TYR65 -0.3598 1085 HH -66.4161 -1.6403 10.0826 H 65 TYR65 0.2173 1086 N -74.3960 2.0880 7.5530 N.am 66 GLN66 -0.2456 1087 H -74.6680 1.1160 7.7020 H 66 GLN66 0.1312 1088 CA -75.4140 3.1080 7.6250 C.3 66 GLN66 0.0882 1089 HA -75.0446 4.0136 7.1402 H 66 GLN66 0.0557 1090 C -75.7810 3.4790 9.0580 C.2 66 GLN66 0.2187 1091 O -76.3330 4.5440 9.2800 O.2 66 GLN66 -0.2778 1092 CB -76.6842 2.6333 6.8937 C.3 66 GLN66 -0.0210 1093 HB1 -77.4218 3.4366 6.9347 H 66 GLN66 0.0289 1094 HB2 -77.1390 1.7942 7.4227 H 66 GLN66 0.0289 1095 CG -76.4665 2.2692 5.4138 C.3 66 GLN66 0.0225 1096 HG1 -75.8386 3.0110 4.9195 H 66 GLN66 0.0356 1097 HG2 -77.4243 2.2677 4.8943 H 66 GLN66 0.0356 1098 CD -75.8633 0.8658 5.2439 C.2 66 GLN66 0.1981 1099 OE1 -76.4675 -0.1356 5.6012 O.2 66 GLN66 -0.2798 1100 NE2 -74.6441 0.8537 4.6836 N.am 66 GLN66 -0.2724 1101 HE21 -74.1716 -0.0186 4.5584 H 66 GLN66 0.1266 1102 HE22 -74.1899 1.6960 4.3966 H 66 GLN66 0.1266 1103 N -75.5330 2.5780 10.0100 N.am 67 GLU67 -0.2456 1104 H -75.0020 1.7400 9.7710 H 67 GLU67 0.1312 1105 CA -75.9980 2.7540 11.3840 C.3 67 GLU67 0.0885 1106 HA -76.1781 3.8181 11.4988 H 67 GLU67 0.0557 1107 C -74.8690 2.3710 12.3170 C.2 67 GLU67 0.2214 1108 O -74.1720 1.3910 12.0780 O.2 67 GLU67 -0.2776 1109 CB -77.3250 2.0396 11.6656 C.3 67 GLU67 -0.0192 1110 HB1 -77.4399 1.9370 12.7414 H 67 GLU67 0.0290 1111 HB2 -77.2885 1.0286 11.2624 H 67 GLU67 0.0290 1112 CG -78.5686 2.7850 11.1218 C.3 67 GLU67 0.0356 1113 HG1 -79.4379 2.1340 11.1971 H 67 GLU67 0.0374 1114 HG2 -78.4444 3.0182 10.0652 H 67 GLU67 0.0374 1115 CD -78.9266 4.0879 11.8831 C.2 67 GLU67 0.1760 1116 OE1 -78.6843 4.1707 13.0845 O.co2 67 GLU67 -0.6478 1117 OE2 -79.4545 5.0167 11.2704 O.co2 67 GLU67 -0.6478 1118 N -74.7660 3.0300 13.4680 N.am 68 PRO68 -0.2316 1119 CA -73.7230 2.6660 14.4100 C.3 68 PRO68 0.0907 1120 HA -72.7697 2.8723 13.9220 H 68 PRO68 0.0559 1121 C -73.7630 1.2140 14.8570 C.2 68 PRO68 0.2189 1122 O -72.6980 0.6000 15.0540 O.2 68 PRO68 -0.2778 1123 CB -73.9532 3.6139 15.5978 C.3 68 PRO68 -0.0276 1124 HB1 -73.0208 3.9379 16.0606 H 68 PRO68 0.0285 1125 HB2 -74.5565 3.1367 16.3710 H 68 PRO68 0.0285 1126 CG -74.7578 4.7753 15.0296 C.3 68 PRO68 -0.0379 1127 HG1 -74.0776 5.5152 14.6060 H 68 PRO68 0.0278 1128 HG2 -75.3699 5.2763 15.7798 H 68 PRO68 0.0278 1129 CD -75.5899 4.1540 13.9101 C.3 68 PRO68 0.0071 1130 HD1 -76.5366 3.7470 14.2662 H 68 PRO68 0.0431 1131 HD2 -75.7472 4.8752 13.1130 H 68 PRO68 0.0431 1132 N -74.9600 0.6650 15.0650 N.am 69 TRP69 -0.2453 1133 H -75.8050 1.2110 14.8990 H 69 TRP69 0.1312 1134 CA -75.0640 -0.7010 15.5240 C.3 69 TRP69 0.0918 1135 HA -74.4563 -0.7639 16.4277 H 69 TRP69 0.0560 1136 C -74.4660 -1.6940 14.5460 C.2 69 TRP69 0.2190 1137 O -74.0840 -2.7930 14.9540 O.2 69 TRP69 -0.2778 1138 CB -76.5095 -1.0644 15.9125 C.3 69 TRP69 -0.0021 1139 HB1 -76.8419 -0.4257 16.7306 H 69 TRP69 0.0334 1140 HB2 -76.5554 -2.0906 16.2824 H 69 TRP69 0.0334 1141 CG -77.4747 -0.9061 14.7556 C.ar 69 TRP69 -0.0260 1142 CD1 -78.2898 0.2015 14.5097 C.ar 69 TRP69 -0.0136 1143 HD1 -78.3159 1.1081 15.0975 H 69 TRP69 0.0748 1144 CD2 -77.7802 -1.8717 13.7291 C.ar 69 TRP69 -0.0028 1145 NE1 -79.0124 -0.0154 13.3831 N.ar 69 TRP69 -0.2641 1146 HE1 -79.6334 0.6331 12.9885 H 69 TRP69 0.1331 1147 CE2 -78.7301 -1.2738 12.8688 C.ar 69 TRP69 0.0269 1148 CE3 -77.3336 -3.1406 13.4793 C.ar 69 TRP69 -0.0528 1149 HE3 -76.6138 -3.6020 14.1415 H 69 TRP69 0.0624 1150 CZ2 -79.1854 -1.9554 11.7728 C.ar 69 TRP69 -0.0430 1151 HZ2 -79.9057 -1.4899 11.1174 H 69 TRP69 0.0633 1152 CZ3 -77.8033 -3.8435 12.3714 C.ar 69 TRP69 -0.0611 1153 HZ3 -77.4390 -4.8453 12.1906 H 69 TRP69 0.0618 1154 CH2 -78.7271 -3.2481 11.5115 C.ar 69 TRP69 -0.0602 1155 HH2 -79.0871 -3.7907 10.6505 H 69 TRP69 0.0618 1156 N -74.3740 -1.3560 13.2590 N.am 70 GLN70 -0.2456 1157 H -74.7370 -0.4580 12.9410 H 70 GLN70 0.1312 1158 CA -73.7510 -2.2750 12.3030 C.3 70 GLN70 0.0882 1159 HA -74.2119 -3.2578 12.4320 H 70 GLN70 0.0557 1160 C -72.2500 -2.3900 12.5630 C.2 70 GLN70 0.2187 1161 O -71.6540 -3.4530 12.3820 O.2 70 GLN70 -0.2778 1162 CB -73.9971 -1.7323 10.8898 C.3 70 GLN70 -0.0210 1163 HB1 -73.5390 -2.4040 10.1621 H 70 GLN70 0.0289 1164 HB2 -73.5000 -0.7663 10.7880 H 70 GLN70 0.0289 1165 CG -75.4872 -1.5629 10.5568 C.3 70 GLN70 0.0225 1166 HG1 -75.9859 -0.9221 11.2834 H 70 GLN70 0.0356 1167 HG2 -75.9890 -2.5292 10.5700 H 70 GLN70 0.0356 1168 CD -75.6628 -0.9374 9.1680 C.2 70 GLN70 0.1981 1169 OE1 -74.7179 -0.7726 8.4084 O.2 70 GLN70 -0.2798 1170 NE2 -76.9280 -0.6001 8.8844 N.am 70 GLN70 -0.2724 1171 HE21 -77.1399 -0.2121 7.9878 H 70 GLN70 0.1266 1172 HE22 -77.6578 -0.7323 9.5546 H 70 GLN70 0.1266 1173 N -71.6290 -1.2890 12.9470 N.am 71 TYR71 -0.2453 1174 H -72.1530 -0.4150 12.9920 H 71 TYR71 0.1312 1175 CA -70.2220 -1.2860 13.3070 C.3 71 TYR71 0.0917 1176 HA -69.6633 -1.7749 12.5098 H 71 TYR71 0.0560 1177 C -70.0220 -2.1200 14.5810 C.2 71 TYR71 0.2190 1178 O -69.1440 -2.9790 14.6610 O.2 71 TYR71 -0.2778 1179 CB -69.7583 0.1737 13.4856 C.3 71 TYR71 -0.0036 1180 HB1 -70.5134 0.7391 14.0296 H 71 TYR71 0.0333 1181 HB2 -69.6770 0.6519 12.5092 H 71 TYR71 0.0333 1182 CG -68.4468 0.3123 14.2197 C.ar 71 TYR71 -0.0453 1183 CD1 -67.2367 0.1329 13.5579 C.ar 71 TYR71 -0.0561 1184 HD1 -67.2264 -0.1044 12.5040 H 71 TYR71 0.0621 1185 CD2 -68.4334 0.6153 15.5804 C.ar 71 TYR71 -0.0561 1186 HD2 -69.3644 0.7536 16.1115 H 71 TYR71 0.0621 1187 CE1 -66.0370 0.2428 14.2501 C.ar 71 TYR71 -0.0317 1188 HE1 -65.0940 0.1080 13.7457 H 71 TYR71 0.0643 1189 CE2 -67.2334 0.7195 16.2721 C.ar 71 TYR71 -0.0317 1190 HE2 -67.2307 0.9440 17.3280 H 71 TYR71 0.0643 1191 CZ -66.0338 0.5214 15.6065 C.ar 71 TYR71 0.0726 1192 OH -64.8350 0.5861 16.2839 O.3 71 TYR71 -0.3598 1193 HH -64.9764 0.9174 17.1631 H 71 TYR71 0.2173 1194 N -70.8660 -1.8680 15.5870 N.am 72 VAL72 -0.2454 1195 H -71.5650 -1.1320 15.4910 H 72 VAL72 0.1312 1196 CA -70.7910 -2.6410 16.8210 C.3 72 VAL72 0.0901 1197 HA -69.7892 -2.4953 17.2278 H 72 VAL72 0.0560 1198 C -70.9620 -4.1340 16.5360 C.2 72 VAL72 0.2189 1199 O -70.2510 -4.9550 17.1020 O.2 72 VAL72 -0.2778 1200 CB -71.8488 -2.1094 17.8125 C.3 72 VAL72 -0.0227 1201 HB -72.8272 -2.1935 17.3365 H 72 VAL72 0.0315 1202 CG1 -71.9031 -2.9236 19.1153 C.3 72 VAL72 -0.0608 1203 HG11 -72.6524 -2.5204 19.7966 H 72 VAL72 0.0233 1204 HG12 -70.9442 -2.9077 19.6309 H 72 VAL72 0.0233 1205 HG13 -72.1688 -3.9648 18.9295 H 72 VAL72 0.0233 1206 CG2 -71.6063 -0.6264 18.1399 C.3 72 VAL72 -0.0608 1207 HG21 -72.3357 -0.2617 18.8628 H 72 VAL72 0.0233 1208 HG22 -71.6838 0.0050 17.2563 H 72 VAL72 0.0233 1209 HG23 -70.6142 -0.4784 18.5663 H 72 VAL72 0.0233 1210 N -71.8850 -4.4680 15.6570 N.am 73 ASP73 -0.2451 1211 H -72.4540 -3.7430 15.2210 H 73 ASP73 0.1312 1212 CA -72.0970 -5.8530 15.3060 C.3 73 ASP73 0.0974 1213 HA -72.3248 -6.3888 16.2294 H 73 ASP73 0.0563 1214 C -70.8310 -6.4700 14.7260 C.2 73 ASP73 0.2192 1215 O -70.5330 -7.6360 15.0190 O.2 73 ASP73 -0.2778 1216 CB -73.2717 -5.9914 14.3180 C.3 73 ASP73 0.0576 1217 HB1 -73.2609 -6.9752 13.8500 H 73 ASP73 0.0394 1218 HB2 -73.1882 -5.2587 13.5171 H 73 ASP73 0.0394 1219 CG -74.6604 -5.8424 14.9692 C.2 73 ASP73 0.1780 1220 OD1 -74.7531 -5.6331 16.1792 O.co2 73 ASP73 -0.6478 1221 OD2 -75.6486 -5.9458 14.2442 O.co2 73 ASP73 -0.6478 1222 N -70.0840 -5.7480 13.8890 N.am 74 ASP74 -0.2451 1223 H -70.3600 -4.7980 13.6400 H 74 ASP74 0.1312 1224 CA -68.8540 -6.3390 13.3280 C.3 74 ASP74 0.0974 1225 HA -69.0987 -7.3199 12.9160 H 74 ASP74 0.0563 1226 C -67.7590 -6.5120 14.3960 C.2 74 ASP74 0.2192 1227 O -67.0490 -7.5070 14.3570 O.2 74 ASP74 -0.2778 1228 CB -68.3128 -5.3896 12.2455 C.3 74 ASP74 0.0576 1229 HB1 -67.2262 -5.3820 12.2407 H 74 ASP74 0.0394 1230 HB2 -68.6245 -4.3616 12.4322 H 74 ASP74 0.0394 1231 CG -68.7267 -5.7981 10.8292 C.2 74 ASP74 0.1780 1232 OD1 -68.2273 -6.7927 10.3142 O.co2 74 ASP74 -0.6478 1233 OD2 -69.5300 -5.1236 10.1971 O.co2 74 ASP74 -0.6478 1234 N -67.6220 -5.5700 15.3160 N.am 75 VAL75 -0.2454 1235 H -68.2040 -4.7340 15.2800 H 75 VAL75 0.1312 1236 CA -66.6360 -5.7290 16.3830 C.3 75 VAL75 0.0901 1237 HA -65.6752 -5.9122 15.8984 H 75 VAL75 0.0560 1238 C -66.9780 -6.9790 17.2040 C.2 75 VAL75 0.2189 1239 O -66.1170 -7.8230 17.4920 O.2 75 VAL75 -0.2778 1240 CB -66.5454 -4.4377 17.2197 C.3 75 VAL75 -0.0227 1241 HB -67.5343 -4.2185 17.6270 H 75 VAL75 0.0315 1242 CG1 -65.5698 -4.6054 18.3910 C.3 75 VAL75 -0.0608 1243 HG11 -65.3839 -3.6589 18.8927 H 75 VAL75 0.0233 1244 HG12 -64.6073 -4.9940 18.0569 H 75 VAL75 0.0233 1245 HG13 -65.9783 -5.2926 19.1282 H 75 VAL75 0.0233 1246 CG2 -66.1171 -3.2367 16.3592 C.3 75 VAL75 -0.0608 1247 HG21 -66.0961 -2.3205 16.9489 H 75 VAL75 0.0233 1248 HG22 -66.7973 -3.0661 15.5258 H 75 VAL75 0.0233 1249 HG23 -65.1182 -3.3834 15.9482 H 75 VAL75 0.0233 1250 N -68.2590 -7.1260 17.5430 N.am 76 TRP76 -0.2453 1251 H -68.9330 -6.4070 17.2790 H 76 TRP76 0.1312 1252 CA -68.7120 -8.2960 18.2840 C.3 76 TRP76 0.0918 1253 HA -67.9942 -8.4322 19.0953 H 76 TRP76 0.0560 1254 C -68.6350 -9.5910 17.4900 C.2 76 TRP76 0.2190 1255 O -68.3700 -10.6480 18.0630 O.2 76 TRP76 -0.2778 1256 CB -70.0843 -8.0196 18.9164 C.3 76 TRP76 -0.0021 1257 HB1 -70.5798 -8.9475 19.2050 H 76 TRP76 0.0334 1258 HB2 -70.7433 -7.5099 18.2115 H 76 TRP76 0.0334 1259 CG -69.8824 -7.1671 20.1591 C.ar 76 TRP76 -0.0260 1260 CD1 -69.8042 -5.7717 20.2083 C.ar 76 TRP76 -0.0136 1261 HD1 -69.9045 -5.1036 19.3704 H 76 TRP76 0.0748 1262 CD2 -69.6695 -7.6265 21.5123 C.ar 76 TRP76 -0.0028 1263 NE1 -69.5706 -5.3726 21.4810 N.ar 76 TRP76 -0.2641 1264 HE1 -69.4853 -4.4441 21.7823 H 76 TRP76 0.1331 1265 CE2 -69.4804 -6.4757 22.3157 C.ar 76 TRP76 0.0269 1266 CE3 -69.6225 -8.8715 22.0826 C.ar 76 TRP76 -0.0528 1267 HE3 -69.7637 -9.7506 21.4712 H 76 TRP76 0.0624 1268 CZ2 -69.2605 -6.6025 23.6605 C.ar 76 TRP76 -0.0430 1269 HZ2 -69.1310 -5.7246 24.2791 H 76 TRP76 0.0633 1270 CZ3 -69.4051 -9.0028 23.4554 C.ar 76 TRP76 -0.0611 1271 HZ3 -69.3878 -9.9793 23.9147 H 76 TRP76 0.0618 1272 CH2 -69.2218 -7.8672 24.2447 C.ar 76 TRP76 -0.0602 1273 HH2 -69.0631 -7.9542 25.3109 H 76 TRP76 0.0618 1274 N -68.7900 -9.5390 16.1620 N.am 77 LEU77 -0.2456 1275 H -69.0600 -8.6580 15.7240 H 77 LEU77 0.1312 1276 CA -68.5800 -10.7160 15.3290 C.3 77 LEU77 0.0880 1277 HA -69.2439 -11.5005 15.6936 H 77 LEU77 0.0557 1278 C -67.1390 -11.1870 15.4570 C.2 77 LEU77 0.2187 1279 O -66.8710 -12.3740 15.6170 O.2 77 LEU77 -0.2778 1280 CB -68.9195 -10.3402 13.8741 C.3 77 LEU77 -0.0266 1281 HB1 -68.4005 -9.4177 13.6177 H 77 LEU77 0.0287 1282 HB2 -69.9822 -10.1027 13.8121 H 77 LEU77 0.0287 1283 CG -68.5636 -11.3968 12.8102 C.3 77 LEU77 -0.0449 1284 HG -67.4848 -11.5539 12.8245 H 77 LEU77 0.0296 1285 CD1 -69.2404 -12.7464 13.0844 C.3 77 LEU77 -0.0626 1286 HD11 -68.9716 -13.4797 12.3249 H 77 LEU77 0.0232 1287 HD12 -70.3261 -12.6487 13.0877 H 77 LEU77 0.0232 1288 HD13 -68.9364 -13.1574 14.0468 H 77 LEU77 0.0232 1289 CD2 -68.9190 -10.8764 11.4114 C.3 77 LEU77 -0.0626 1290 HD21 -68.5965 -11.5702 10.6365 H 77 LEU77 0.0232 1291 HD22 -68.4374 -9.9172 11.2162 H 77 LEU77 0.0232 1292 HD23 -69.9945 -10.7316 11.3070 H 77 LEU77 0.0232 1293 N -66.1870 -10.2460 15.3810 N.am 78 MET78 -0.2456 1294 H -66.4550 -9.2810 15.1860 H 78 MET78 0.1312 1295 CA -64.8020 -10.5650 15.5670 C.3 78 MET78 0.0885 1296 HA -64.5321 -11.2686 14.7776 H 78 MET78 0.0557 1297 C -64.5640 -11.2450 16.9140 C.2 78 MET78 0.2187 1298 O -63.8650 -12.2690 17.0000 O.2 78 MET78 -0.2778 1299 CB -63.9706 -9.2770 15.4212 C.3 78 MET78 -0.0199 1300 HB1 -64.3055 -8.5396 16.1467 H 78 MET78 0.0293 1301 HB2 -64.1629 -8.8371 14.4419 H 78 MET78 0.0293 1302 CG -62.4584 -9.4812 15.5883 C.3 78 MET78 -0.0047 1303 HG1 -62.0628 -10.1444 14.8201 H 78 MET78 0.0377 1304 HG2 -62.2367 -9.9639 16.5399 H 78 MET78 0.0377 1305 SD -61.5693 -7.9128 15.5271 S.3 78 MET78 -0.1641 1306 CE -61.7646 -7.4214 17.2481 C.3 78 MET78 -0.0181 1307 HE1 -61.2264 -6.4957 17.4465 H 78 MET78 0.0340 1308 HE2 -61.3775 -8.2006 17.9050 H 78 MET78 0.0340 1309 HE3 -62.8205 -7.2819 17.4811 H 78 MET78 0.0340 1310 N -65.1400 -10.7020 17.9760 N.am 79 PHE79 -0.2453 1311 H -65.7090 -9.8630 17.8700 H 79 PHE79 0.1312 1312 CA -64.9640 -11.3020 19.3090 C.3 79 PHE79 0.0917 1313 HA -63.8942 -11.4354 19.4562 H 79 PHE79 0.0560 1314 C -65.5830 -12.6900 19.3500 C.2 79 PHE79 0.2190 1315 O -64.9640 -13.6470 19.8570 O.2 79 PHE79 -0.2778 1316 CB -65.5727 -10.4083 20.4041 C.3 79 PHE79 -0.0036 1317 HB1 -65.4568 -10.8984 21.3689 H 79 PHE79 0.0333 1318 HB2 -66.6457 -10.3016 20.2362 H 79 PHE79 0.0333 1319 CG -64.9632 -9.0314 20.5331 C.ar 79 PHE79 -0.0454 1320 CD1 -63.6235 -8.7762 20.2390 C.ar 79 PHE79 -0.0585 1321 HD1 -62.9747 -9.5546 19.8696 H 79 PHE79 0.0620 1322 CD2 -65.7391 -7.9937 21.0423 C.ar 79 PHE79 -0.0585 1323 HD2 -66.7714 -8.1694 21.3067 H 79 PHE79 0.0620 1324 CE1 -63.0842 -7.5110 20.4298 C.ar 79 PHE79 -0.0615 1325 HE1 -62.0462 -7.3301 20.1953 H 79 PHE79 0.0618 1326 CE2 -65.1997 -6.7311 21.2424 C.ar 79 PHE79 -0.0615 1327 HE2 -65.8169 -5.9415 21.6471 H 79 PHE79 0.0618 1328 CZ -63.8705 -6.4856 20.9322 C.ar 79 PHE79 -0.0617 1329 HZ -63.4479 -5.5050 21.0967 H 79 PHE79 0.0618 1330 N -66.8210 -12.8080 18.8990 N.am 80 ASN80 -0.2452 1331 H -67.2850 -11.9980 18.4870 H 80 ASN80 0.1312 1332 CA -67.5250 -14.0630 18.9800 C.3 80 ASN80 0.0957 1333 HA -67.4967 -14.3869 20.0216 H 80 ASN80 0.0562 1334 C -66.8370 -15.1490 18.1600 C.2 80 ASN80 0.2191 1335 O -66.8020 -16.3220 18.5710 O.2 80 ASN80 -0.2778 1336 CB -68.9742 -13.8696 18.5074 C.3 80 ASN80 0.0446 1337 HB1 -69.4775 -14.8297 18.3930 H 80 ASN80 0.0375 1338 HB2 -68.9992 -13.3688 17.5382 H 80 ASN80 0.0375 1339 CG -69.7754 -13.0556 19.5351 C.2 80 ASN80 0.2000 1340 OD1 -69.6255 -13.2201 20.7380 O.2 80 ASN80 -0.2797 1341 ND2 -70.6341 -12.1766 18.9971 N.am 80 ASN80 -0.2723 1342 HD21 -71.2097 -11.6221 19.5971 H 80 ASN80 0.1266 1343 HD22 -70.7093 -12.0518 18.0083 H 80 ASN80 0.1266 1344 N -66.2370 -14.7840 17.0260 N.am 81 ASN81 -0.2452 1345 H -66.3180 -13.8230 16.6930 H 81 ASN81 0.1312 1346 CA -65.4670 -15.7540 16.2630 C.3 81 ASN81 0.0957 1347 HA -66.1354 -16.5797 16.0097 H 81 ASN81 0.0562 1348 C -64.3180 -16.3180 17.0860 C.2 81 ASN81 0.2191 1349 O -64.0520 -17.5330 17.0560 O.2 81 ASN81 -0.2778 1350 CB -64.8974 -15.0973 14.9913 C.3 81 ASN81 0.0446 1351 HB1 -64.2196 -15.7785 14.4753 H 81 ASN81 0.0375 1352 HB2 -64.3276 -14.2023 15.2441 H 81 ASN81 0.0375 1353 CG -66.0017 -14.7188 13.9956 C.2 81 ASN81 0.2000 1354 OD1 -67.0742 -15.3068 13.9663 O.2 81 ASN81 -0.2797 1355 ND2 -65.6706 -13.7060 13.1795 N.am 81 ASN81 -0.2723 1356 HD21 -66.3283 -13.4063 12.4874 H 81 ASN81 0.1266 1357 HD22 -64.7906 -13.2380 13.2457 H 81 ASN81 0.1266 1358 N -63.6180 -15.4470 17.7870 N.am 82 ALA82 -0.2459 1359 H -63.8710 -14.4590 17.7710 H 82 ALA82 0.1312 1360 CA -62.4920 -15.8910 18.5790 C.3 82 ALA82 0.0850 1361 HA -61.8547 -16.4943 17.9285 H 82 ALA82 0.0554 1362 C -62.8800 -16.7380 19.7740 C.2 82 ALA82 0.2184 1363 O -62.2180 -17.7280 20.0950 O.2 82 ALA82 -0.2778 1364 CB -61.7121 -14.6610 19.0478 C.3 82 ALA82 -0.0411 1365 HB1 -60.8349 -14.9373 19.6338 H 82 ALA82 0.0249 1366 HB2 -62.3313 -13.9999 19.6544 H 82 ALA82 0.0249 1367 HB3 -61.3683 -14.0944 18.1860 H 82 ALA82 0.0249 1368 N -63.9710 -16.3930 20.4390 N.am 83 TRP83 -0.2453 1369 H -64.4870 -15.5580 20.1630 H 83 TRP83 0.1312 1370 CA -64.4420 -17.1920 21.5600 C.3 83 TRP83 0.0918 1371 HA -63.5796 -17.3943 22.1876 H 83 TRP83 0.0560 1372 C -65.0050 -18.5410 21.0990 C.2 83 TRP83 0.2190 1373 O -65.0020 -19.5000 21.8510 O.2 83 TRP83 -0.2778 1374 CB -65.5149 -16.4059 22.3294 C.3 83 TRP83 -0.0021 1375 HB1 -65.9418 -17.0190 23.1233 H 83 TRP83 0.0334 1376 HB2 -66.3313 -16.1426 21.6545 H 83 TRP83 0.0334 1377 CG -64.9570 -15.1435 22.9644 C.ar 83 TRP83 -0.0260 1378 CD1 -63.6730 -14.9527 23.4915 C.ar 83 TRP83 -0.0136 1379 HD1 -62.8651 -15.6680 23.4805 H 83 TRP83 0.0748 1380 CD2 -65.6694 -13.9091 23.1892 C.ar 83 TRP83 -0.0028 1381 NE1 -63.5906 -13.7186 24.0438 N.ar 83 TRP83 -0.2641 1382 HE1 -62.7982 -13.3434 24.4854 H 83 TRP83 0.1331 1383 CE2 -64.7861 -13.0366 23.8670 C.ar 83 TRP83 0.0269 1384 CE3 -66.9386 -13.4953 22.8841 C.ar 83 TRP83 -0.0528 1385 HE3 -67.6147 -14.1560 22.3626 H 83 TRP83 0.0624 1386 CZ2 -65.1978 -11.7784 24.2135 C.ar 83 TRP83 -0.0430 1387 HZ2 -64.5181 -11.1089 24.7178 H 83 TRP83 0.0633 1388 CZ3 -67.3605 -12.2132 23.2336 C.ar 83 TRP83 -0.0611 1389 HZ3 -68.3577 -11.8870 22.9762 H 83 TRP83 0.0618 1390 CH2 -66.4902 -11.3538 23.9047 C.ar 83 TRP83 -0.0602 1391 HH2 -66.8084 -10.3559 24.1721 H 83 TRP83 0.0618 1392 N -65.4780 -18.6070 19.8500 N.am 84 LEU84 -0.2456 1393 H -65.4930 -17.7630 19.2770 H 84 LEU84 0.1312 1394 CA -65.9720 -19.8580 19.2910 C.3 84 LEU84 0.0880 1395 HA -66.5905 -20.3542 20.0398 H 84 LEU84 0.0557 1396 C -64.8050 -20.7820 18.9030 C.2 84 LEU84 0.2187 1397 O -64.8140 -21.9820 19.1820 O.2 84 LEU84 -0.2778 1398 CB -66.8019 -19.5047 18.0382 C.3 84 LEU84 -0.0266 1399 HB1 -66.2088 -18.8517 17.3967 H 84 LEU84 0.0287 1400 HB2 -67.6634 -18.9081 18.3397 H 84 LEU84 0.0287 1401 CG -67.2814 -20.7057 17.1966 C.3 84 LEU84 -0.0449 1402 HG -66.4178 -21.3039 16.9044 H 84 LEU84 0.0296 1403 CD1 -68.2339 -21.6101 17.9881 C.3 84 LEU84 -0.0626 1404 HD11 -68.5726 -22.4475 17.3775 H 84 LEU84 0.0232 1405 HD12 -69.1151 -21.0602 18.3190 H 84 LEU84 0.0232 1406 HD13 -67.7455 -22.0261 18.8691 H 84 LEU84 0.0232 1407 CD2 -67.9369 -20.2285 15.8940 C.3 84 LEU84 -0.0626 1408 HD21 -68.2433 -21.0735 15.2766 H 84 LEU84 0.0232 1409 HD22 -67.2446 -19.6272 15.3038 H 84 LEU84 0.0232 1410 HD23 -68.8198 -19.6215 16.0950 H 84 LEU84 0.0232 1411 N -63.8460 -20.2480 18.1470 N.am 85 TYR85 -0.2453 1412 H -63.8030 -19.2380 18.0140 H 85 TYR85 0.1312 1413 CA -62.8630 -21.1070 17.5140 C.3 85 TYR85 0.0917 1414 HA -63.4024 -21.9521 17.0801 H 85 TYR85 0.0560 1415 C -61.8620 -21.6540 18.5100 C.2 85 TYR85 0.2190 1416 O -61.3670 -22.7510 18.3330 O.2 85 TYR85 -0.2778 1417 CB -62.1589 -20.3326 16.3820 C.3 85 TYR85 -0.0036 1418 HB1 -61.6623 -19.4429 16.7734 H 85 TYR85 0.0333 1419 HB2 -62.8968 -19.9779 15.6613 H 85 TYR85 0.0333 1420 CG -61.1582 -21.2042 15.6664 C.ar 85 TYR85 -0.0453 1421 CD1 -61.5857 -22.1721 14.7613 C.ar 85 TYR85 -0.0561 1422 HD1 -62.6299 -22.2480 14.4999 H 85 TYR85 0.0621 1423 CD2 -59.8044 -21.1260 15.9796 C.ar 85 TYR85 -0.0561 1424 HD2 -59.4555 -20.3798 16.6767 H 85 TYR85 0.0621 1425 CE1 -60.6847 -23.0799 14.2185 C.ar 85 TYR85 -0.0317 1426 HE1 -61.0251 -23.8411 13.5321 H 85 TYR85 0.0643 1427 CE2 -58.9066 -22.0411 15.4472 C.ar 85 TYR85 -0.0317 1428 HE2 -57.8634 -22.0144 15.7167 H 85 TYR85 0.0643 1429 CZ -59.3485 -23.0300 14.5845 C.ar 85 TYR85 0.0726 1430 OH -58.4529 -23.9732 14.1311 O.3 85 TYR85 -0.3598 1431 HH -58.8919 -24.5914 13.5416 H 85 TYR85 0.2173 1432 N -61.4960 -20.8260 19.4800 N.am 86 ASN86 -0.2452 1433 H -62.0110 -19.9570 19.6210 H 86 ASN86 0.1312 1434 CA -60.3660 -21.1430 20.3470 C.3 86 ASN86 0.0957 1435 HA -59.7242 -21.8772 19.8577 H 86 ASN86 0.0562 1436 C -60.7880 -21.6720 21.6940 C.2 86 ASN86 0.2191 1437 O -61.8320 -21.2840 22.1980 O.2 86 ASN86 -0.2778 1438 CB -59.5763 -19.8502 20.6070 C.3 86 ASN86 0.0446 1439 HB1 -58.7691 -20.0379 21.3100 H 86 ASN86 0.0375 1440 HB2 -60.2104 -19.0783 21.0456 H 86 ASN86 0.0375 1441 CG -58.9375 -19.3198 19.3227 C.2 86 ASN86 0.2000 1442 OD1 -58.0046 -19.9043 18.7883 O.2 86 ASN86 -0.2797 1443 ND2 -59.4904 -18.1869 18.8684 N.am 86 ASN86 -0.2723 1444 HD21 -59.1447 -17.7500 18.0383 H 86 ASN86 0.1266 1445 HD22 -60.2594 -17.7564 19.3405 H 86 ASN86 0.1266 1446 N -59.9510 -22.5090 22.2860 N.am 87 ARG87 -0.2456 1447 H -59.1440 -22.8610 21.7710 H 87 ARG87 0.1312 1448 CA -60.1660 -22.9330 23.6570 C.3 87 ARG87 0.0879 1449 HA -61.2341 -23.1189 23.7923 H 87 ARG87 0.0557 1450 C -59.7470 -21.8050 24.6190 C.2 87 ARG87 0.2187 1451 O -59.0100 -20.8530 24.2700 O.2 87 ARG87 -0.2778 1452 CB -59.3892 -24.2555 23.7678 C.3 87 ARG87 -0.0258 1453 HB1 -59.4487 -24.6260 24.7923 H 87 ARG87 0.0286 1454 HB2 -58.3296 -24.0825 23.5735 H 87 ARG87 0.0286 1455 CG -59.9533 -25.3297 22.7930 C.3 87 ARG87 -0.0154 1456 HG1 -60.8495 -24.9739 22.2834 H 87 ARG87 0.0299 1457 HG2 -60.3050 -26.1619 23.4044 H 87 ARG87 0.0299 1458 CD -58.9701 -25.9145 21.7508 C.3 87 ARG87 0.1045 1459 HD1 -59.3476 -26.8626 21.3582 H 87 ARG87 0.0711 1460 HD2 -58.0116 -26.1458 22.2212 H 87 ARG87 0.0711 1461 NE -58.6831 -25.0429 20.5965 N.pl3 87 ARG87 -0.4450 1462 HE -57.8376 -24.5130 20.5712 H 87 ARG87 0.3153 1463 CZ -59.4442 -24.9074 19.5002 C.cat 87 ARG87 0.5062 1464 NH1 -60.6278 -25.4489 19.4046 N.pl3 87 ARG87 -0.4573 1465 HH11 -61.1594 -25.2944 18.5700 H 87 ARG87 0.3114 1466 HH12 -61.0021 -26.0041 20.1387 H 87 ARG87 0.3114 1467 NH2 -59.0022 -24.2179 18.4813 N.pl3 87 ARG87 -0.4573 1468 HH21 -59.6009 -24.0859 17.6872 H 87 ARG87 0.3114 1469 HH22 -58.0895 -23.8216 18.4595 H 87 ARG87 0.3114 1470 N -60.2450 -21.9060 25.8460 N.am 88 LYS88 -0.2457 1471 H -60.6430 -22.7950 26.1490 H 88 LYS88 0.1312 1472 CA -60.2370 -20.8000 26.7530 C.3 88 LYS88 0.0878 1473 HA -60.5200 -19.9307 26.1631 H 88 LYS88 0.0557 1474 C -58.8960 -20.4770 27.3430 C.2 88 LYS88 0.2187 1475 O -58.7350 -19.3950 27.9270 O.2 88 LYS88 -0.2778 1476 CB -61.3436 -21.0119 27.8069 C.3 88 LYS88 -0.0289 1477 HB1 -61.5229 -20.0707 28.3285 H 88 LYS88 0.0285 1478 HB2 -61.0112 -21.7252 28.5628 H 88 LYS88 0.0285 1479 CG -62.6615 -21.5229 27.1804 C.3 88 LYS88 -0.0496 1480 HG1 -62.5147 -22.5576 26.8671 H 88 LYS88 0.0266 1481 HG2 -62.8834 -20.9685 26.2677 H 88 LYS88 0.0266 1482 CD -63.8757 -21.4906 28.1252 C.3 88 LYS88 -0.0278 1483 HD1 -63.5405 -21.6186 29.1556 H 88 LYS88 0.0282 1484 HD2 -64.5185 -22.3477 27.9184 H 88 LYS88 0.0282 1485 CE -64.7134 -20.2099 27.9982 C.3 88 LYS88 0.1103 1486 HE1 -64.0761 -19.3308 28.1111 H 88 LYS88 0.0559 1487 HE2 -65.4572 -20.1663 28.7968 H 88 LYS88 0.0559 1488 NZ -65.4258 -20.1077 26.7195 N.4 88 LYS88 -0.0749 1489 HZ1 -65.8765 -19.1703 26.6432 H 88 LYS88 0.2742 1490 HZ2 -66.1469 -20.8525 26.6390 H 88 LYS88 0.2742 1491 HZ3 -64.7532 -20.1843 25.9300 H 88 LYS88 0.2742 1492 N -57.9460 -21.4060 27.2100 N.am 89 THR89 -0.2434 1493 H -58.1600 -22.3070 26.7820 H 89 THR89 0.1313 1494 CA -56.6100 -21.1180 27.6810 C.3 89 THR89 0.1135 1495 HA -56.6673 -20.5362 28.5981 H 89 THR89 0.0583 1496 C -55.7550 -20.3620 26.6440 C.2 89 THR89 0.2213 1497 O -54.6730 -19.8870 26.9820 O.2 89 THR89 -0.2777 1498 CB -55.9253 -22.4676 27.9799 C.3 89 THR89 0.0763 1499 HB -54.8762 -22.2772 28.2405 H 89 THR89 0.0611 1500 OG1 -55.9906 -23.2651 26.8061 O.3 89 THR89 -0.3900 1501 HG1 -55.5430 -24.0972 26.9395 H 89 THR89 0.2098 1502 CG2 -56.5960 -23.1984 29.1556 C.3 89 THR89 -0.0370 1503 HG21 -56.0522 -24.1032 29.4295 H 89 THR89 0.0255 1504 HG22 -57.6185 -23.4895 28.9138 H 89 THR89 0.0255 1505 HG23 -56.6304 -22.5643 30.0412 H 89 THR89 0.0255 1506 N -56.1890 -20.2780 25.3770 N.am 90 SER90 -0.2435 1507 H -57.1230 -20.6170 25.1470 H 90 SER90 0.1312 1508 CA -55.3580 -19.7150 24.3250 C.3 90 SER90 0.1109 1509 HA -54.3927 -20.2178 24.4093 H 90 SER90 0.0580 1510 C -55.1380 -18.2200 24.5130 C.2 90 SER90 0.2209 1511 O -56.0100 -17.5240 25.0200 O.2 90 SER90 -0.2777 1512 CB -55.9460 -20.0209 22.9392 C.3 90 SER90 0.0681 1513 HB1 -56.3185 -21.0462 22.9163 H 90 SER90 0.0577 1514 HB2 -55.1732 -19.9653 22.1646 H 90 SER90 0.0577 1515 OG -57.0187 -19.1690 22.5939 O.3 90 SER90 -0.3930 1516 HG -56.7327 -18.2651 22.6645 H 90 SER90 0.2095 1517 N -53.9950 -17.7240 24.0670 N.am 91 ARG91 -0.2456 1518 H -53.2610 -18.3470 23.7310 H 91 ARG91 0.1312 1519 CA -53.7930 -16.2810 24.0590 C.3 91 ARG91 0.0879 1520 HA -53.8624 -15.9474 25.0963 H 91 ARG91 0.0557 1521 C -54.8720 -15.5770 23.2910 C.2 91 ARG91 0.2187 1522 O -55.3150 -14.5140 23.6920 O.2 91 ARG91 -0.2778 1523 CB -52.4319 -15.8546 23.4634 C.3 91 ARG91 -0.0258 1524 HB1 -52.4238 -14.7642 23.3979 H 91 ARG91 0.0286 1525 HB2 -52.3393 -16.2116 22.4368 H 91 ARG91 0.0286 1526 CG -51.1981 -16.2908 24.2730 C.3 91 ARG91 -0.0154 1527 HG1 -50.8096 -17.2275 23.8714 H 91 ARG91 0.0299 1528 HG2 -51.4939 -16.5079 25.3002 H 91 ARG91 0.0299 1529 CD -50.0837 -15.2242 24.3156 C.3 91 ARG91 0.1045 1530 HD1 -49.2013 -15.6118 24.8318 H 91 ARG91 0.0711 1531 HD2 -50.4406 -14.3459 24.8597 H 91 ARG91 0.0711 1532 NE -49.6729 -14.7987 22.9709 N.pl3 91 ARG91 -0.4450 1533 HE -50.0023 -15.2987 22.1711 H 91 ARG91 0.3153 1534 CZ -48.8676 -13.7573 22.7367 C.cat 91 ARG91 0.5062 1535 NH1 -48.3659 -13.0446 23.7116 N.pl3 91 ARG91 -0.4573 1536 HH11 -47.7786 -12.2610 23.5146 H 91 ARG91 0.3114 1537 HH12 -48.5696 -13.2786 24.6580 H 91 ARG91 0.3114 1538 NH2 -48.5662 -13.4319 21.5081 N.pl3 91 ARG91 -0.4573 1539 HH21 -47.9667 -12.6530 21.3307 H 91 ARG91 0.3114 1540 HH22 -48.9319 -13.9511 20.7380 H 91 ARG91 0.3114 1541 N -55.2660 -16.1030 22.1380 N.am 92 VAL92 -0.2454 1542 H -54.8870 -16.9940 21.8190 H 92 VAL92 0.1312 1543 CA -56.2540 -15.3830 21.3310 C.3 92 VAL92 0.0901 1544 HA -55.8481 -14.3901 21.1261 H 92 VAL92 0.0560 1545 C -57.5510 -15.2100 22.1080 C.2 92 VAL92 0.2189 1546 O -58.1880 -14.1500 22.0300 O.2 92 VAL92 -0.2778 1547 CB -56.4694 -16.1412 20.0037 C.3 92 VAL92 -0.0227 1548 HB -56.8618 -17.1331 20.2318 H 92 VAL92 0.0315 1549 CG1 -57.4885 -15.4428 19.0900 C.3 92 VAL92 -0.0608 1550 HG11 -57.6297 -16.0090 18.1703 H 92 VAL92 0.0233 1551 HG12 -57.1546 -14.4412 18.8169 H 92 VAL92 0.0233 1552 HG13 -58.4661 -15.3532 19.5629 H 92 VAL92 0.0233 1553 CG2 -55.1449 -16.3340 19.2471 C.3 92 VAL92 -0.0608 1554 HG21 -55.3032 -16.9318 18.3525 H 92 VAL92 0.0233 1555 HG22 -54.3964 -16.8563 19.8418 H 92 VAL92 0.0233 1556 HG23 -54.7229 -15.3770 18.9375 H 92 VAL92 0.0233 1557 N -57.9750 -16.2460 22.8230 N.am 93 TYR93 -0.2453 1558 H -57.4220 -17.1030 22.8340 H 93 TYR93 0.1312 1559 CA -59.1950 -16.1880 23.5820 C.3 93 TYR93 0.0917 1560 HA -59.9897 -15.9022 22.8892 H 93 TYR93 0.0560 1561 C -59.1030 -15.1230 24.6900 C.2 93 TYR93 0.2190 1562 O -60.0100 -14.2980 24.8900 O.2 93 TYR93 -0.2778 1563 CB -59.4824 -17.5799 24.1826 C.3 93 TYR93 -0.0036 1564 HB1 -58.7501 -17.8375 24.9491 H 93 TYR93 0.0333 1565 HB2 -59.3745 -18.3345 23.4030 H 93 TYR93 0.0333 1566 CG -60.8735 -17.6873 24.7589 C.ar 93 TYR93 -0.0453 1567 CD1 -61.2095 -17.0554 25.9549 C.ar 93 TYR93 -0.0561 1568 HD1 -60.4667 -16.4992 26.5067 H 93 TYR93 0.0621 1569 CD2 -61.8515 -18.4195 24.0931 C.ar 93 TYR93 -0.0561 1570 HD2 -61.6149 -18.9219 23.1658 H 93 TYR93 0.0621 1571 CE1 -62.5180 -17.0628 26.4165 C.ar 93 TYR93 -0.0317 1572 HE1 -62.7809 -16.5061 27.3036 H 93 TYR93 0.0643 1573 CE2 -63.1501 -18.4718 24.5822 C.ar 93 TYR93 -0.0317 1574 HE2 -63.9068 -19.0058 24.0287 H 93 TYR93 0.0643 1575 CZ -63.4931 -17.7566 25.7188 C.ar 93 TYR93 0.0726 1576 OH -64.8060 -17.7137 26.1428 O.3 93 TYR93 -0.3598 1577 HH -65.0466 -16.7958 26.2466 H 93 TYR93 0.2173 1578 N -58.0260 -15.1800 25.4790 N.am 94 LYS94 -0.2456 1579 H -57.3080 -15.8850 25.3150 H 94 LYS94 0.1312 1580 CA -57.8840 -14.2440 26.5600 C.3 94 LYS94 0.0878 1581 HA -58.7965 -14.2589 27.1593 H 94 LYS94 0.0557 1582 C -57.6430 -12.8290 26.0670 C.2 94 LYS94 0.2187 1583 O -58.1240 -11.8600 26.6580 O.2 94 LYS94 -0.2778 1584 CB -56.6599 -14.6793 27.3819 C.3 94 LYS94 -0.0289 1585 HB1 -56.4217 -13.9210 28.1302 H 94 LYS94 0.0285 1586 HB2 -55.7935 -14.7352 26.7194 H 94 LYS94 0.0285 1587 CG -56.8404 -16.0284 28.0907 C.3 94 LYS94 -0.0496 1588 HG1 -57.2365 -16.7745 27.3996 H 94 LYS94 0.0266 1589 HG2 -57.5836 -15.9158 28.8804 H 94 LYS94 0.0266 1590 CD -55.5129 -16.5424 28.6639 C.3 94 LYS94 -0.0278 1591 HD1 -55.0011 -15.7494 29.2111 H 94 LYS94 0.0282 1592 HD2 -54.8597 -16.8051 27.8296 H 94 LYS94 0.0282 1593 CE -55.6914 -17.7672 29.5654 C.3 94 LYS94 0.1103 1594 HE1 -54.7364 -18.2811 29.6962 H 94 LYS94 0.0559 1595 HE2 -56.3804 -18.4732 29.1018 H 94 LYS94 0.0559 1596 NZ -56.2031 -17.4186 30.8930 N.4 94 LYS94 -0.0749 1597 HZ1 -56.3072 -18.2772 31.4720 H 94 LYS94 0.2742 1598 HZ2 -57.1279 -16.9506 30.8016 H 94 LYS94 0.2742 1599 HZ3 -55.5415 -16.7686 31.3659 H 94 LYS94 0.2742 1600 N -56.9160 -12.6770 24.9620 N.am 95 PHE95 -0.2453 1601 H -56.4740 -13.4930 24.5390 H 95 PHE95 0.1312 1602 CA -56.7370 -11.3620 24.3410 C.3 95 PHE95 0.0917 1603 HA -56.3943 -10.6641 25.1066 H 95 PHE95 0.0560 1604 C -58.0790 -10.8150 23.8530 C.2 95 PHE95 0.2190 1605 O -58.3660 -9.6290 24.0350 O.2 95 PHE95 -0.2778 1606 CB -55.7132 -11.4848 23.1993 C.3 95 PHE95 -0.0036 1607 HB1 -55.7434 -10.5781 22.5981 H 95 PHE95 0.0333 1608 HB2 -55.9964 -12.2976 22.5298 H 95 PHE95 0.0333 1609 CG -54.2761 -11.6814 23.6420 C.ar 95 PHE95 -0.0454 1610 CD1 -53.8947 -11.7143 24.9862 C.ar 95 PHE95 -0.0585 1611 HD1 -54.6194 -11.6691 25.7838 H 95 PHE95 0.0620 1612 CD2 -53.2766 -11.7202 22.6724 C.ar 95 PHE95 -0.0585 1613 HD2 -53.5456 -11.6523 21.6277 H 95 PHE95 0.0620 1614 CE1 -52.5559 -11.7369 25.3479 C.ar 95 PHE95 -0.0615 1615 HE1 -52.2825 -11.7068 26.3928 H 95 PHE95 0.0618 1616 CE2 -51.9354 -11.7035 23.0340 C.ar 95 PHE95 -0.0615 1617 HE2 -51.1727 -11.6164 22.2766 H 95 PHE95 0.0618 1618 CZ -51.5746 -11.7102 24.3719 C.ar 95 PHE95 -0.0617 1619 HZ -50.5370 -11.6436 24.6593 H 95 PHE95 0.0618 1620 N -58.9300 -11.6760 23.2860 N.am 96 CYS96 -0.2449 1621 H -58.6330 -12.6380 23.1250 H 96 CYS96 0.1312 1622 CA -60.2600 -11.2740 22.8970 C.3 96 CYS96 0.0965 1623 HA -60.1478 -10.4779 22.1601 H 96 CYS96 0.0565 1624 C -61.0370 -10.7230 24.0790 C.2 96 CYS96 0.2195 1625 O -61.6440 -9.6670 24.0000 O.2 96 CYS96 -0.2778 1626 CB -61.0035 -12.4606 22.2740 C.3 96 CYS96 0.0147 1627 HB1 -61.1526 -13.2496 23.0086 H 96 CYS96 0.0394 1628 HB2 -60.4057 -12.9008 21.4791 H 96 CYS96 0.0394 1629 SG -62.6104 -11.9905 21.5902 S.3 96 CYS96 -0.1762 1630 HG -63.3321 -13.0846 21.3264 H 96 CYS96 0.1017 1631 N -61.0060 -11.4410 25.1940 N.am 97 SER97 -0.2436 1632 H -60.4880 -12.3190 25.2220 H 97 SER97 0.1312 1633 CA -61.7210 -10.9660 26.3900 C.3 97 SER97 0.1109 1634 HA -62.7768 -10.8880 26.1325 H 97 SER97 0.0580 1635 C -61.2220 -9.6000 26.8230 C.2 97 SER97 0.2209 1636 O -62.0410 -8.7690 27.2090 O.2 97 SER97 -0.2777 1637 CB -61.5213 -11.9597 27.5432 C.3 97 SER97 0.0681 1638 HB1 -62.0740 -11.5980 28.4189 H 97 SER97 0.0577 1639 HB2 -60.4586 -11.9927 27.8083 H 97 SER97 0.0577 1640 OG -61.9673 -13.2650 27.1830 O.3 97 SER97 -0.3930 1641 HG -61.8821 -13.8665 27.9158 H 97 SER97 0.2095 1642 N -59.9180 -9.3340 26.7530 N.am 98 LYS98 -0.2456 1643 H -59.2660 -10.0670 26.4740 H 98 LYS98 0.1312 1644 CA -59.4150 -8.0030 27.0720 C.3 98 LYS98 0.0878 1645 HA -59.7800 -7.7331 28.0664 H 98 LYS98 0.0557 1646 C -59.9330 -6.9600 26.0850 C.2 98 LYS98 0.2187 1647 O -60.3430 -5.8690 26.4990 O.2 98 LYS98 -0.2778 1648 CB -57.8927 -8.1278 27.0887 C.3 98 LYS98 -0.0289 1649 HB1 -57.5617 -8.6835 26.2115 H 98 LYS98 0.0285 1650 HB2 -57.6052 -8.7340 27.9482 H 98 LYS98 0.0285 1651 CG -57.1274 -6.8109 27.1233 C.3 98 LYS98 -0.0496 1652 HG1 -57.2054 -6.2944 26.1655 H 98 LYS98 0.0266 1653 HG2 -56.0985 -7.0956 27.2688 H 98 LYS98 0.0266 1654 CD -57.4725 -5.8739 28.2760 C.3 98 LYS98 -0.0278 1655 HD1 -57.2747 -6.3762 29.2235 H 98 LYS98 0.0282 1656 HD2 -58.5371 -5.6567 28.2617 H 98 LYS98 0.0282 1657 CE -56.6912 -4.5542 28.2107 C.3 98 LYS98 0.1103 1658 HE1 -56.6019 -4.1265 29.2108 H 98 LYS98 0.0559 1659 HE2 -57.2479 -3.8310 27.6180 H 98 LYS98 0.0559 1660 NZ -55.3545 -4.6650 27.6119 N.4 98 LYS98 -0.0749 1661 HZ1 -54.8596 -3.7568 27.5954 H 98 LYS98 0.2742 1662 HZ2 -55.4069 -4.9921 26.6235 H 98 LYS98 0.2742 1663 HZ3 -54.7689 -5.3943 28.0733 H 98 LYS98 0.2742 1664 N -59.8910 -7.2490 24.7970 N.am 99 LEU99 -0.2456 1665 H -59.4950 -8.1350 24.4840 H 99 LEU99 0.1312 1666 CA -60.4120 -6.2980 23.8240 C.3 99 LEU99 0.0880 1667 HA -59.8631 -5.3663 23.9667 H 99 LEU99 0.0557 1668 C -61.8780 -5.9890 24.0540 C.2 99 LEU99 0.2187 1669 O -62.3120 -4.8470 23.8840 O.2 99 LEU99 -0.2778 1670 CB -60.1904 -6.8387 22.4027 C.3 99 LEU99 -0.0266 1671 HB1 -60.6697 -6.1813 21.6768 H 99 LEU99 0.0287 1672 HB2 -60.6941 -7.8033 22.3211 H 99 LEU99 0.0287 1673 CG -58.7097 -7.0070 22.0128 C.3 99 LEU99 -0.0449 1674 HG -58.1943 -7.5475 22.8055 H 99 LEU99 0.0296 1675 CD1 -58.5900 -7.8506 20.7406 C.3 99 LEU99 -0.0626 1676 HD11 -57.5457 -8.0423 20.5051 H 99 LEU99 0.0232 1677 HD12 -59.0459 -7.3520 19.8847 H 99 LEU99 0.0232 1678 HD13 -59.0787 -8.8168 20.8648 H 99 LEU99 0.0232 1679 CD2 -57.9933 -5.6610 21.8352 C.3 99 LEU99 -0.0626 1680 HD21 -56.9454 -5.8117 21.5749 H 99 LEU99 0.0232 1681 HD22 -58.0155 -5.0782 22.7543 H 99 LEU99 0.0232 1682 HD23 -58.4519 -5.0638 21.0467 H 99 LEU99 0.0232 1683 N -62.6720 -6.9890 24.4420 N.am 100 ALA100 -0.2459 1684 H -62.2890 -7.9270 24.5570 H 100 ALA100 0.1312 1685 CA -64.0780 -6.7450 24.7010 C.3 100 ALA100 0.0850 1686 HA -64.4923 -6.2436 23.8279 H 100 ALA100 0.0554 1687 C -64.2840 -5.8290 25.8860 C.2 100 ALA100 0.2184 1688 O -65.1870 -4.9830 25.8920 O.2 100 ALA100 -0.2778 1689 CB -64.7816 -8.0891 24.9121 C.3 100 ALA100 -0.0411 1690 HB1 -65.8521 -7.9562 25.0740 H 100 ALA100 0.0249 1691 HB2 -64.3723 -8.6221 25.7711 H 100 ALA100 0.0249 1692 HB3 -64.6561 -8.7257 24.0363 H 100 ALA100 0.0249 1693 N -63.4250 -5.9470 26.9030 N.am 101 GLU101 -0.2456 1694 H -62.7290 -6.6920 26.8890 H 101 GLU101 0.1312 1695 CA -63.4680 -5.0270 28.0310 C.3 101 GLU101 0.0883 1696 HA -64.4691 -5.0562 28.4647 H 101 GLU101 0.0557 1697 C -63.1620 -3.5970 27.5910 C.2 101 GLU101 0.2187 1698 O -63.8510 -2.6430 27.9270 O.2 101 GLU101 -0.2778 1699 CB -62.3986 -5.5475 29.0336 C.3 101 GLU101 -0.0193 1700 HB1 -61.5925 -6.0026 28.4625 H 101 GLU101 0.0290 1701 HB2 -62.8194 -6.3875 29.5857 H 101 GLU101 0.0290 1702 CG -61.7738 -4.5465 30.0440 C.3 101 GLU101 0.0356 1703 HG1 -62.1242 -4.7673 31.0512 H 101 GLU101 0.0374 1704 HG2 -62.0582 -3.5156 29.8531 H 101 GLU101 0.0374 1705 CD -60.2274 -4.6218 30.0535 C.2 101 GLU101 0.1760 1706 OE1 -59.5716 -3.6977 29.5694 O.co2 101 GLU101 -0.6478 1707 OE2 -59.6858 -5.6103 30.5448 O.co2 101 GLU101 -0.6478 1708 N -62.0940 -3.4330 26.8150 N.am 102 VAL102 -0.2454 1709 H -61.5230 -4.2400 26.5660 H 102 VAL102 0.1312 1710 CA -61.7310 -2.1100 26.3160 C.3 102 VAL102 0.0901 1711 HA -61.5885 -1.4603 27.1812 H 102 VAL102 0.0560 1712 C -62.8400 -1.5350 25.4520 C.2 102 VAL102 0.2189 1713 O -63.2080 -0.3770 25.5860 O.2 102 VAL102 -0.2778 1714 CB -60.4201 -2.2268 25.5033 C.3 102 VAL102 -0.0227 1715 HB -60.5692 -2.9832 24.7313 H 102 VAL102 0.0315 1716 CG1 -60.0216 -0.9164 24.7975 C.3 102 VAL102 -0.0608 1717 HG11 -59.0788 -1.0308 24.2621 H 102 VAL102 0.0233 1718 HG12 -59.9005 -0.1045 25.5154 H 102 VAL102 0.0233 1719 HG13 -60.7666 -0.6026 24.0660 H 102 VAL102 0.0233 1720 CG2 -59.2652 -2.7042 26.3904 C.3 102 VAL102 -0.0608 1721 HG21 -58.3693 -2.8788 25.7988 H 102 VAL102 0.0233 1722 HG22 -59.4993 -3.6363 26.9007 H 102 VAL102 0.0233 1723 HG23 -59.0264 -1.9673 27.1578 H 102 VAL102 0.0233 1724 N -63.3470 -2.3460 24.5230 N.am 103 PHE103 -0.2453 1725 H -63.0350 -3.3150 24.4630 H 103 PHE103 0.1312 1726 CA -64.3470 -1.8420 23.5970 C.3 103 PHE103 0.0917 1727 HA -63.8979 -0.9838 23.0949 H 103 PHE103 0.0560 1728 C -65.6100 -1.3730 24.3120 C.2 103 PHE103 0.2190 1729 O -66.1820 -0.3380 23.9840 O.2 103 PHE103 -0.2778 1730 CB -64.7275 -2.9348 22.5820 C.3 103 PHE103 -0.0036 1731 HB1 -65.1960 -3.7772 23.0946 H 103 PHE103 0.0333 1732 HB2 -63.8425 -3.3440 22.1040 H 103 PHE103 0.0333 1733 CG -65.6425 -2.4114 21.5021 C.ar 103 PHE103 -0.0454 1734 CD1 -65.2228 -1.3892 20.6530 C.ar 103 PHE103 -0.0585 1735 HD1 -64.2326 -0.9688 20.7579 H 103 PHE103 0.0620 1736 CD2 -66.9270 -2.9262 21.3518 C.ar 103 PHE103 -0.0585 1737 HD2 -67.2768 -3.7099 22.0092 H 103 PHE103 0.0620 1738 CE1 -66.0677 -0.8953 19.6679 C.ar 103 PHE103 -0.0615 1739 HE1 -65.7290 -0.1004 19.0192 H 103 PHE103 0.0618 1740 CE2 -67.7711 -2.4387 20.3626 C.ar 103 PHE103 -0.0615 1741 HE2 -68.7624 -2.8511 20.2529 H 103 PHE103 0.0618 1742 CZ -67.3422 -1.4244 19.5182 C.ar 103 PHE103 -0.0617 1743 HZ -68.0010 -1.0464 18.7504 H 103 PHE103 0.0618 1744 N -66.0760 -2.1490 25.2780 N.am 104 GLU104 -0.2456 1745 H -65.5890 -3.0140 25.5110 H 104 GLU104 0.1312 1746 CA -67.2790 -1.7770 26.0100 C.3 104 GLU104 0.0883 1747 HA -68.0817 -1.7577 25.2722 H 104 GLU104 0.0557 1748 C -67.1310 -0.3790 26.5850 C.2 104 GLU104 0.2187 1749 O -68.0740 0.4190 26.5510 O.2 104 GLU104 -0.2778 1750 CB -67.5684 -2.8828 27.0382 C.3 104 GLU104 -0.0193 1751 HB1 -66.8826 -2.8317 27.8847 H 104 GLU104 0.0290 1752 HB2 -67.3496 -3.8320 26.5463 H 104 GLU104 0.0290 1753 CG -69.0305 -2.9178 27.5200 C.3 104 GLU104 0.0356 1754 HG1 -69.7049 -2.5748 26.7363 H 104 GLU104 0.0374 1755 HG2 -69.1776 -2.2606 28.3764 H 104 GLU104 0.0374 1756 CD -69.4517 -4.3534 27.8833 C.2 104 GLU104 0.1760 1757 OE1 -69.4941 -4.6830 29.0669 O.co2 104 GLU104 -0.6478 1758 OE2 -69.7330 -5.1282 26.9681 O.co2 104 GLU104 -0.6478 1759 N -65.9700 -0.0940 27.1700 N.am 105 GLN105 -0.2456 1760 H -65.2330 -0.7990 27.1860 H 105 GLN105 0.1312 1761 CA -65.7300 1.1950 27.7840 C.3 105 GLN105 0.0882 1762 HA -66.5670 1.4042 28.4530 H 105 GLN105 0.0557 1763 C -65.6580 2.3180 26.7430 C.2 105 GLN105 0.2187 1764 O -66.1410 3.4220 26.9830 O.2 105 GLN105 -0.2778 1765 CB -64.4147 1.1208 28.5749 C.3 105 GLN105 -0.0210 1766 HB1 -64.1660 2.1090 28.9658 H 105 GLN105 0.0289 1767 HB2 -63.6027 0.8433 27.9001 H 105 GLN105 0.0289 1768 CG -64.4857 0.1226 29.7417 C.3 105 GLN105 0.0225 1769 HG1 -64.7543 -0.8756 29.3983 H 105 GLN105 0.0356 1770 HG2 -65.2507 0.4277 30.4550 H 105 GLN105 0.0356 1771 CD -63.1428 0.0475 30.4791 C.2 105 GLN105 0.1981 1772 OE1 -62.9013 0.7534 31.4499 O.2 105 GLN105 -0.2798 1773 NE2 -62.2927 -0.8505 29.9595 N.am 105 GLN105 -0.2724 1774 HE21 -61.3870 -0.9952 30.3581 H 105 GLN105 0.1266 1775 HE22 -62.5471 -1.4023 29.1648 H 105 GLN105 0.1266 1776 N -65.0570 2.0510 25.5960 N.am 106 GLU106 -0.2456 1777 H -64.7070 1.1070 25.4290 H 106 GLU106 0.1312 1778 CA -64.8790 3.0650 24.5630 C.3 106 GLU106 0.0883 1779 HA -64.4626 3.9722 25.0053 H 106 GLU106 0.0557 1780 C -66.1970 3.3780 23.8700 C.2 106 GLU106 0.2187 1781 O -66.4910 4.5200 23.5520 O.2 106 GLU106 -0.2778 1782 CB -63.9323 2.4509 23.5121 C.3 106 GLU106 -0.0193 1783 HB1 -64.0066 2.9748 22.5582 H 106 GLU106 0.0290 1784 HB2 -64.2634 1.4340 23.2986 H 106 GLU106 0.0290 1785 CG -62.4598 2.3961 23.9558 C.3 106 GLU106 0.0356 1786 HG1 -61.9310 1.6427 23.3750 H 106 GLU106 0.0374 1787 HG2 -62.3737 2.1024 25.0016 H 106 GLU106 0.0374 1788 CD -61.7155 3.7249 23.7404 C.2 106 GLU106 0.1760 1789 OE1 -62.1150 4.5046 22.8770 O.co2 106 GLU106 -0.6478 1790 OE2 -60.7300 3.9618 24.4351 O.co2 106 GLU106 -0.6478 1791 N -66.9870 2.3490 23.6060 N.am 107 ILE107 -0.2454 1792 H -66.7740 1.4290 23.9930 H 107 ILE107 0.1312 1793 CA -68.1680 2.5330 22.7570 C.3 107 ILE107 0.0903 1794 HA -67.8614 3.1951 21.9482 H 107 ILE107 0.0560 1795 C -69.3130 3.2240 23.4990 C.2 107 ILE107 0.2189 1796 O -70.1340 3.8880 22.8700 O.2 107 ILE107 -0.2778 1797 CB -68.5340 1.1441 22.1793 C.3 107 ILE107 -0.0201 1798 HB -67.5955 0.6835 21.8668 H 107 ILE107 0.0318 1799 CG1 -69.4288 1.1924 20.9315 C.3 107 ILE107 -0.0514 1800 HG11 -70.4130 1.5459 21.2181 H 107 ILE107 0.0266 1801 HG12 -69.5782 0.1732 20.5753 H 107 ILE107 0.0266 1802 CG2 -69.1603 0.2140 23.2308 C.3 107 ILE107 -0.0605 1803 HG21 -69.2289 -0.8090 22.8606 H 107 ILE107 0.0233 1804 HG22 -70.1655 0.5373 23.5025 H 107 ILE107 0.0233 1805 HG23 -68.5717 0.1938 24.1436 H 107 ILE107 0.0233 1806 CD1 -68.8710 2.0359 19.7765 C.3 107 ILE107 -0.0650 1807 HD11 -69.4713 1.9028 18.8763 H 107 ILE107 0.0230 1808 HD12 -67.8454 1.7512 19.5400 H 107 ILE107 0.0230 1809 HD13 -68.8795 3.0994 20.0154 H 107 ILE107 0.0230 1810 N -69.3530 3.0930 24.8170 N.am 108 ASP108 -0.2451 1811 H -68.5760 2.6480 25.3060 H 108 ASP108 0.1312 1812 CA -70.4870 3.5750 25.5650 C.3 108 ASP108 0.0977 1813 HA -71.3678 3.1031 25.1257 H 108 ASP108 0.0563 1814 C -70.6980 5.0980 25.4370 C.2 108 ASP108 0.2219 1815 O -71.7650 5.5310 25.0100 O.2 108 ASP108 -0.2776 1816 CB -70.3960 3.1161 27.0322 C.3 108 ASP108 0.0576 1817 HB1 -69.4570 3.4201 27.4895 H 108 ASP108 0.0394 1818 HB2 -70.4283 2.0290 27.0884 H 108 ASP108 0.0394 1819 CG -71.5671 3.6682 27.8616 C.2 108 ASP108 0.1780 1820 OD1 -72.7146 3.4458 27.4799 O.co2 108 ASP108 -0.6478 1821 OD2 -71.3210 4.3235 28.8717 O.co2 108 ASP108 -0.6478 1822 N -69.6700 5.9270 25.7190 N.am 109 PRO109 -0.2316 1823 CA -69.9150 7.3650 25.5800 C.3 109 PRO109 0.0907 1824 HA -70.7811 7.6260 26.1918 H 109 PRO109 0.0559 1825 C -70.1780 7.7730 24.1460 C.2 109 PRO109 0.2189 1826 O -70.9590 8.6910 23.8880 O.2 109 PRO109 -0.2778 1827 CB -68.6284 7.9891 26.1369 C.3 109 PRO109 -0.0276 1828 HB1 -68.7762 8.2133 27.1937 H 109 PRO109 0.0285 1829 HB2 -68.3383 8.9184 25.6453 H 109 PRO109 0.0285 1830 CG -67.5659 6.8981 26.0105 C.3 109 PRO109 -0.0379 1831 HG1 -66.7523 7.0089 26.7272 H 109 PRO109 0.0278 1832 HG2 -67.1331 6.9243 25.0095 H 109 PRO109 0.0278 1833 CD -68.3301 5.5889 26.1917 C.3 109 PRO109 0.0071 1834 HD1 -67.8803 4.7874 25.6172 H 109 PRO109 0.0431 1835 HD2 -68.4148 5.3108 27.2425 H 109 PRO109 0.0431 1836 N -69.5490 7.0940 23.2010 N.am 110 VAL110 -0.2454 1837 H -68.9130 6.3390 23.4560 H 110 VAL110 0.1312 1838 CA -69.7610 7.4200 21.7970 C.3 110 VAL110 0.0901 1839 HA -69.5788 8.4892 21.6831 H 110 VAL110 0.0560 1840 C -71.1970 7.1500 21.3770 C.2 110 VAL110 0.2189 1841 O -71.8290 7.9650 20.6870 O.2 110 VAL110 -0.2778 1842 CB -68.7376 6.6271 20.9529 C.3 110 VAL110 -0.0227 1843 HB -68.8578 5.5653 21.1753 H 110 VAL110 0.0315 1844 CG1 -68.9399 6.8077 19.4394 C.3 110 VAL110 -0.0608 1845 HG11 -68.1715 6.2741 18.8796 H 110 VAL110 0.0233 1846 HG12 -68.8911 7.8589 19.1544 H 110 VAL110 0.0233 1847 HG13 -69.9029 6.4142 19.1173 H 110 VAL110 0.0233 1848 CG2 -67.3018 7.0174 21.3368 C.3 110 VAL110 -0.0608 1849 HG21 -66.5732 6.4897 20.7248 H 110 VAL110 0.0233 1850 HG22 -67.0798 6.7797 22.3772 H 110 VAL110 0.0233 1851 HG23 -67.1338 8.0851 21.1953 H 110 VAL110 0.0233 1852 N -71.6830 5.9620 21.7060 N.am 111 MET111 -0.2456 1853 H -71.1170 5.3180 22.2580 H 111 MET111 0.1312 1854 CA -73.0030 5.5760 21.2900 C.3 111 MET111 0.0885 1855 HA -73.0647 5.7409 20.2135 H 111 MET111 0.0557 1856 C -74.0670 6.4640 21.9390 C.2 111 MET111 0.2187 1857 O -75.0010 6.8960 21.2660 O.2 111 MET111 -0.2778 1858 CB -73.2472 4.0948 21.6000 C.3 111 MET111 -0.0199 1859 HB1 -74.3009 3.8473 21.4648 H 111 MET111 0.0293 1860 HB2 -73.0154 3.9009 22.6491 H 111 MET111 0.0293 1861 CG -72.4105 3.1740 20.7063 C.3 111 MET111 -0.0047 1862 HG1 -72.5014 2.1427 21.0454 H 111 MET111 0.0377 1863 HG2 -71.3554 3.4299 20.7860 H 111 MET111 0.0377 1864 SD -72.8700 3.2781 18.9624 S.3 111 MET111 -0.1641 1865 CE -74.1551 2.0127 18.8957 C.3 111 MET111 -0.0181 1866 HE1 -74.0272 1.4115 17.9950 H 111 MET111 0.0340 1867 HE2 -75.1405 2.4765 18.8518 H 111 MET111 0.0340 1868 HE3 -74.1040 1.3383 19.7500 H 111 MET111 0.0340 1869 N -73.8320 6.8930 23.1780 N.am 112 GLN112 -0.2456 1870 H -73.0110 6.5550 23.6810 H 112 GLN112 0.1312 1871 CA -74.7310 7.8370 23.8230 C.3 112 GLN112 0.0882 1872 HA -75.7370 7.4175 23.7734 H 112 GLN112 0.0557 1873 C -74.7520 9.1820 23.1390 C.2 112 GLN112 0.2187 1874 O -75.7820 9.8380 23.0980 O.2 112 GLN112 -0.2778 1875 CB -74.3104 8.0322 25.2915 C.3 112 GLN112 -0.0210 1876 HB1 -74.8608 8.8810 25.7030 H 112 GLN112 0.0289 1877 HB2 -73.2539 8.3024 25.3402 H 112 GLN112 0.0289 1878 CG -74.5708 6.8094 26.1884 C.3 112 GLN112 0.0225 1879 HG1 -73.9459 5.9621 25.9095 H 112 GLN112 0.0356 1880 HG2 -75.6066 6.4844 26.1010 H 112 GLN112 0.0356 1881 CD -74.3198 7.1788 27.6590 C.2 112 GLN112 0.1981 1882 OE1 -74.8295 8.1735 28.1623 O.2 112 GLN112 -0.2798 1883 NE2 -73.5122 6.3333 28.3100 N.am 112 GLN112 -0.2724 1884 HE21 -73.2565 6.4744 29.2640 H 112 GLN112 0.1266 1885 HE22 -73.1222 5.5134 27.8802 H 112 GLN112 0.1266 1886 N -73.6140 9.6000 22.6080 N.am 113 SER113 -0.2436 1887 H -72.7740 9.0310 22.7140 H 113 SER113 0.1312 1888 CA -73.5390 10.8540 21.8770 C.3 113 SER113 0.1109 1889 HA -74.0930 11.5855 22.4675 H 113 SER113 0.0580 1890 C -74.2030 10.7950 20.4900 C.2 113 SER113 0.2209 1891 O -74.6870 11.8090 19.9900 O.2 113 SER113 -0.2777 1892 CB -72.0814 11.3352 21.7769 C.3 113 SER113 0.0681 1893 HB1 -71.6052 11.2098 22.7562 H 113 SER113 0.0577 1894 HB2 -72.0853 12.4054 21.5456 H 113 SER113 0.0577 1895 OG -71.3456 10.6434 20.7745 O.3 113 SER113 -0.3930 1896 HG -70.4311 10.9121 20.7613 H 113 SER113 0.2095 1897 N -74.1900 9.6240 19.8600 N.am 114 LEU114 -0.2472 1898 H -73.7560 8.8210 20.3140 H 114 LEU114 0.1311 1899 CA -74.7810 9.4570 18.5350 C.3 114 LEU114 0.0701 1900 HA -74.5726 10.3461 17.9402 H 114 LEU114 0.0540 1901 C -76.2900 9.2860 18.6370 C.2 114 LEU114 0.1375 1902 H -76.7400 8.9070 19.5700 H 114 LEU114 0.1043 1903 O -77.0100 9.5710 17.6780 O.2 114 LEU114 -0.2994 1904 CB -74.1480 8.1971 17.9083 C.3 114 LEU114 -0.0282 1905 HB1 -74.6834 7.9125 17.0013 H 114 LEU114 0.0287 1906 HB2 -74.2703 7.3639 18.6026 H 114 LEU114 0.0287 1907 CG -72.6524 8.3590 17.5675 C.3 114 LEU114 -0.0449 1908 HG -72.1470 8.7987 18.4269 H 114 LEU114 0.0296 1909 CD1 -71.9999 6.9961 17.2957 C.3 114 LEU114 -0.0626 1910 HD11 -70.9393 7.1058 17.0681 H 114 LEU114 0.0232 1911 HD12 -72.4715 6.4943 16.4502 H 114 LEU114 0.0232 1912 HD13 -72.0863 6.3398 18.1615 H 114 LEU114 0.0232 1913 CD2 -72.4276 9.2975 16.3742 C.3 114 LEU114 -0.0626 1914 HD21 -71.3851 9.5956 16.3140 H 114 LEU114 0.0232 1915 HD22 -73.0121 10.2127 16.4492 H 114 LEU114 0.0232 1916 HD23 -72.6755 8.8071 15.4347 H 114 LEU114 0.0232 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 9 1 6 5 7 1 7 5 6 1 8 7 8 2 9 7 25 am 10 9 12 1 11 9 10 1 12 9 11 1 13 12 15 1 14 12 13 1 15 12 14 1 16 15 18 1 17 15 16 1 18 15 17 1 19 18 21 1 20 18 19 1 21 18 20 1 22 21 22 1 23 21 23 1 24 21 24 1 25 25 27 1 26 25 26 1 27 27 31 1 28 27 29 1 29 27 28 1 30 29 30 2 31 29 44 am 32 31 36 1 33 31 33 1 34 31 32 1 35 33 40 1 36 33 34 1 37 33 35 1 38 36 37 1 39 36 38 1 40 36 39 1 41 40 41 1 42 40 42 1 43 40 43 1 44 44 46 1 45 44 45 1 46 46 50 1 47 46 48 1 48 46 47 1 49 48 49 2 50 48 64 am 51 50 53 1 52 50 51 1 53 50 52 1 54 53 54 ar 55 53 56 ar 56 54 58 ar 57 54 55 1 58 56 60 ar 59 56 57 1 60 58 62 ar 61 58 59 1 62 60 62 ar 63 60 61 1 64 62 63 1 65 64 66 1 66 64 65 1 67 66 70 1 68 66 68 1 69 66 67 1 70 68 69 2 71 68 86 am 72 70 73 1 73 70 71 1 74 70 72 1 75 73 76 1 76 73 74 1 77 73 75 1 78 76 79 1 79 76 77 1 80 76 78 1 81 79 82 1 82 79 80 1 83 79 81 1 84 82 83 1 85 82 84 1 86 82 85 1 87 86 97 1 88 86 87 1 89 87 91 1 90 87 89 1 91 87 88 1 92 89 90 2 93 89 100 am 94 91 94 1 95 91 92 1 96 91 93 1 97 94 97 1 98 94 95 1 99 94 96 1 100 97 98 1 101 97 99 1 102 100 102 1 103 100 101 1 104 102 106 1 105 102 104 1 106 102 103 1 107 104 105 2 108 104 115 am 109 106 109 1 110 106 107 1 111 106 108 1 112 109 112 1 113 109 110 1 114 109 111 1 115 112 113 ar 116 112 114 ar 117 115 117 1 118 115 116 1 119 117 121 1 120 117 119 1 121 117 118 1 122 119 120 2 123 119 130 am 124 121 124 1 125 121 122 1 126 121 123 1 127 124 127 1 128 124 125 1 129 124 126 1 130 127 128 ar 131 127 129 ar 132 130 132 1 133 130 131 1 134 132 136 1 135 132 134 1 136 132 133 1 137 134 135 2 138 134 149 am 139 136 139 1 140 136 137 1 141 136 138 1 142 139 141 1 143 139 145 1 144 139 140 1 145 141 142 1 146 141 143 1 147 141 144 1 148 145 146 1 149 145 147 1 150 145 148 1 151 149 151 1 152 149 150 1 153 151 155 1 154 151 153 1 155 151 152 1 156 153 154 2 157 153 173 am 158 155 158 1 159 155 156 1 160 155 157 1 161 158 161 1 162 158 159 1 163 158 160 1 164 161 164 1 165 161 162 1 166 161 163 1 167 164 166 ar 168 164 165 1 169 166 167 ar 170 166 170 ar 171 167 168 1 172 167 169 1 173 170 171 1 174 170 172 1 175 173 175 1 176 173 174 1 177 175 179 1 178 175 177 1 179 175 176 1 180 177 178 2 181 177 190 am 182 179 182 1 183 179 180 1 184 179 181 1 185 182 185 1 186 182 183 1 187 182 184 1 188 185 186 2 189 185 187 am 190 187 188 1 191 187 189 1 192 190 192 1 193 190 191 1 194 192 196 1 195 192 194 1 196 192 193 1 197 194 195 2 198 194 200 am 199 196 197 1 200 196 198 1 201 196 199 1 202 200 202 1 203 200 201 1 204 202 206 1 205 202 204 1 206 202 203 1 207 204 205 2 208 204 219 am 209 206 209 1 210 206 207 1 211 206 208 1 212 209 211 1 213 209 215 1 214 209 210 1 215 211 212 1 216 211 213 1 217 211 214 1 218 215 216 1 219 215 217 1 220 215 218 1 221 219 221 1 222 219 220 1 223 221 225 1 224 221 223 1 225 221 222 1 226 223 224 2 227 223 236 am 228 225 228 1 229 225 226 1 230 225 227 1 231 228 231 1 232 228 229 1 233 228 230 1 234 231 232 1 235 232 233 1 236 232 234 1 237 232 235 1 238 236 247 1 239 236 237 1 240 237 241 1 241 237 239 1 242 237 238 1 243 239 240 2 244 239 250 am 245 241 244 1 246 241 242 1 247 241 243 1 248 244 247 1 249 244 245 1 250 244 246 1 251 247 248 1 252 247 249 1 253 250 252 1 254 250 251 1 255 252 256 1 256 252 254 1 257 252 253 1 258 254 255 2 259 254 264 am 260 256 260 1 261 256 258 1 262 256 257 1 263 258 259 1 264 260 261 1 265 260 262 1 266 260 263 1 267 264 266 1 268 264 265 1 269 266 270 1 270 266 268 1 271 266 267 1 272 268 269 2 273 268 283 am 274 270 273 1 275 270 271 1 276 270 272 1 277 273 275 1 278 273 279 1 279 273 274 1 280 275 276 1 281 275 277 1 282 275 278 1 283 279 280 1 284 279 281 1 285 279 282 1 286 283 285 1 287 283 284 1 288 285 289 1 289 285 287 1 290 285 286 1 291 287 288 2 292 287 298 am 293 289 292 1 294 289 290 1 295 289 291 1 296 292 295 1 297 292 293 1 298 292 294 1 299 295 296 ar 300 295 297 ar 301 298 300 1 302 298 299 1 303 300 304 1 304 300 302 1 305 300 301 1 306 302 303 2 307 302 308 am 308 304 305 1 309 304 306 1 310 304 307 1 311 308 310 1 312 308 309 1 313 310 314 1 314 310 312 1 315 310 311 1 316 312 313 2 317 312 327 am 318 314 317 1 319 314 315 1 320 314 316 1 321 317 319 1 322 317 323 1 323 317 318 1 324 319 320 1 325 319 321 1 326 319 322 1 327 323 324 1 328 323 325 1 329 323 326 1 330 327 329 1 331 327 328 1 332 329 333 1 333 329 331 1 334 329 330 1 335 331 332 2 336 331 348 am 337 333 336 1 338 333 334 1 339 333 335 1 340 336 337 ar 341 336 339 ar 342 337 341 ar 343 337 338 1 344 339 343 ar 345 339 340 1 346 341 345 ar 347 341 342 1 348 343 345 ar 349 343 344 1 350 345 346 1 351 346 347 1 352 348 350 1 353 348 349 1 354 350 354 1 355 350 352 1 356 350 351 1 357 352 353 2 358 352 372 am 359 354 357 1 360 354 355 1 361 354 356 1 362 357 360 1 363 357 358 1 364 357 359 1 365 360 363 1 366 360 361 1 367 360 362 1 368 363 365 ar 369 363 364 1 370 365 366 ar 371 365 369 ar 372 366 367 1 373 366 368 1 374 369 370 1 375 369 371 1 376 372 374 1 377 372 373 1 378 374 378 1 379 374 376 1 380 374 375 1 381 376 377 2 382 376 389 am 383 378 381 1 384 378 379 1 385 378 380 1 386 381 384 1 387 381 382 1 388 381 383 1 389 384 385 2 390 384 386 am 391 386 387 1 392 386 388 1 393 389 391 1 394 389 390 1 395 391 395 1 396 391 393 1 397 391 392 1 398 393 394 2 399 393 401 am 400 395 398 1 401 395 396 1 402 395 397 1 403 398 399 ar 404 398 400 ar 405 401 412 1 406 401 402 1 407 402 406 1 408 402 404 1 409 402 403 1 410 404 405 2 411 404 415 am 412 406 409 1 413 406 407 1 414 406 408 1 415 409 412 1 416 409 410 1 417 409 411 1 418 412 413 1 419 412 414 1 420 415 417 1 421 415 416 1 422 417 421 1 423 417 419 1 424 417 418 1 425 419 420 2 426 419 430 am 427 421 424 1 428 421 422 1 429 421 423 1 430 424 427 1 431 424 425 1 432 424 426 1 433 427 428 ar 434 427 429 ar 435 430 432 1 436 430 431 1 437 432 436 1 438 432 434 1 439 432 433 1 440 434 435 2 441 434 441 am 442 436 439 1 443 436 437 1 444 436 438 1 445 439 440 1 446 441 443 1 447 441 442 1 448 443 447 1 449 443 445 1 450 443 444 1 451 445 446 2 452 445 460 am 453 447 450 1 454 447 448 1 455 447 449 1 456 450 452 1 457 450 456 1 458 450 451 1 459 452 453 1 460 452 454 1 461 452 455 1 462 456 457 1 463 456 458 1 464 456 459 1 465 460 471 1 466 460 461 1 467 461 465 1 468 461 463 1 469 461 462 1 470 463 464 2 471 463 474 am 472 465 468 1 473 465 466 1 474 465 467 1 475 468 471 1 476 468 469 1 477 468 470 1 478 471 472 1 479 471 473 1 480 474 476 1 481 474 475 1 482 476 480 1 483 476 478 1 484 476 477 1 485 478 479 2 486 478 494 am 487 480 483 1 488 480 481 1 489 480 482 1 490 483 484 ar 491 483 486 ar 492 484 488 ar 493 484 485 1 494 486 490 ar 495 486 487 1 496 488 492 ar 497 488 489 1 498 490 492 ar 499 490 491 1 500 492 493 1 501 494 496 1 502 494 495 1 503 496 500 1 504 496 498 1 505 496 497 1 506 498 499 2 507 498 518 am 508 500 503 1 509 500 501 1 510 500 502 1 511 503 506 1 512 503 504 1 513 503 505 1 514 506 509 1 515 506 507 1 516 506 508 1 517 509 511 ar 518 509 510 1 519 511 512 ar 520 511 515 ar 521 512 513 1 522 512 514 1 523 515 516 1 524 515 517 1 525 518 520 1 526 518 519 1 527 520 524 1 528 520 522 1 529 520 521 1 530 522 523 2 531 522 535 am 532 524 527 1 533 524 525 1 534 524 526 1 535 527 530 1 536 527 528 1 537 527 529 1 538 530 531 2 539 530 532 am 540 532 533 1 541 532 534 1 542 535 546 1 543 535 536 1 544 536 540 1 545 536 538 1 546 536 537 1 547 538 539 2 548 538 549 am 549 540 543 1 550 540 541 1 551 540 542 1 552 543 546 1 553 543 544 1 554 543 545 1 555 546 547 1 556 546 548 1 557 549 551 1 558 549 550 1 559 551 555 1 560 551 553 1 561 551 552 1 562 553 554 2 563 553 565 am 564 555 557 1 565 555 561 1 566 555 556 1 567 557 558 1 568 557 559 1 569 557 560 1 570 561 562 1 571 561 563 1 572 561 564 1 573 565 567 1 574 565 566 1 575 567 571 1 576 567 569 1 577 567 568 1 578 569 570 2 579 569 577 am 580 571 574 1 581 571 572 1 582 571 573 1 583 574 575 ar 584 574 576 ar 585 577 588 1 586 577 578 1 587 578 582 1 588 578 580 1 589 578 579 1 590 580 581 2 591 580 591 am 592 582 585 1 593 582 583 1 594 582 584 1 595 585 588 1 596 585 586 1 597 585 587 1 598 588 589 1 599 588 590 1 600 591 593 1 601 591 592 1 602 593 597 1 603 593 595 1 604 593 594 1 605 595 596 2 606 595 608 am 607 597 600 1 608 597 598 1 609 597 599 1 610 600 603 1 611 600 601 1 612 600 602 1 613 603 604 2 614 603 605 am 615 605 606 1 616 605 607 1 617 608 610 1 618 608 609 1 619 610 614 1 620 610 612 1 621 610 611 1 622 612 613 2 623 612 627 am 624 614 617 1 625 614 615 1 626 614 616 1 627 617 619 1 628 617 623 1 629 617 618 1 630 619 620 1 631 619 621 1 632 619 622 1 633 623 624 1 634 623 625 1 635 623 626 1 636 627 629 1 637 627 628 1 638 629 633 1 639 629 631 1 640 629 630 1 641 631 632 2 642 631 646 am 643 633 636 1 644 633 634 1 645 633 635 1 646 636 638 1 647 636 642 1 648 636 637 1 649 638 639 1 650 638 640 1 651 638 641 1 652 642 643 1 653 642 644 1 654 642 645 1 655 646 648 1 656 646 647 1 657 648 651 1 658 648 649 1 659 648 650 1 660 651 652 2 661 651 653 am 662 653 655 1 663 653 654 1 664 655 659 1 665 655 657 1 666 655 656 1 667 657 658 2 668 657 672 am 669 659 664 1 670 659 661 1 671 659 660 1 672 661 668 1 673 661 662 1 674 661 663 1 675 664 665 1 676 664 666 1 677 664 667 1 678 668 669 1 679 668 670 1 680 668 671 1 681 672 683 1 682 672 673 1 683 673 677 1 684 673 675 1 685 673 674 1 686 675 676 2 687 675 686 am 688 677 680 1 689 677 678 1 690 677 679 1 691 680 683 1 692 680 681 1 693 680 682 1 694 683 684 1 695 683 685 1 696 686 688 1 697 686 687 1 698 688 692 1 699 688 690 1 700 688 689 1 701 690 691 2 702 690 698 am 703 692 695 1 704 692 693 1 705 692 694 1 706 695 696 ar 707 695 697 ar 708 698 700 1 709 698 699 1 710 700 704 1 711 700 702 1 712 700 701 1 713 702 703 2 714 702 719 am 715 704 707 1 716 704 705 1 717 704 706 1 718 707 708 ar 719 707 710 ar 720 708 712 ar 721 708 709 1 722 710 714 ar 723 710 711 1 724 712 716 ar 725 712 713 1 726 714 716 ar 727 714 715 1 728 716 717 1 729 717 718 1 730 719 721 1 731 719 720 1 732 721 725 1 733 721 723 1 734 721 722 1 735 723 724 2 736 723 739 am 737 725 728 1 738 725 726 1 739 725 727 1 740 728 729 ar 741 728 731 ar 742 729 733 ar 743 729 730 1 744 731 735 ar 745 731 732 1 746 733 737 ar 747 733 734 1 748 735 737 ar 749 735 736 1 750 737 738 1 751 739 741 1 752 739 740 1 753 741 745 1 754 741 743 1 755 741 742 1 756 743 744 2 757 743 751 am 758 745 748 1 759 745 746 1 760 745 747 1 761 748 749 ar 762 748 750 ar 763 751 753 1 764 751 752 1 765 753 757 1 766 753 755 1 767 753 754 1 768 755 756 2 769 755 770 am 770 757 762 1 771 757 759 1 772 757 758 1 773 759 766 1 774 759 760 1 775 759 761 1 776 762 763 1 777 762 764 1 778 762 765 1 779 766 767 1 780 766 768 1 781 766 769 1 782 770 772 1 783 770 771 1 784 772 776 1 785 772 774 1 786 772 773 1 787 774 775 2 788 774 786 am 789 776 778 1 790 776 782 1 791 776 777 1 792 778 779 1 793 778 780 1 794 778 781 1 795 782 783 1 796 782 784 1 797 782 785 1 798 786 788 1 799 786 787 1 800 788 792 1 801 788 790 1 802 788 789 1 803 790 791 2 804 790 808 am 805 792 795 1 806 792 793 1 807 792 794 1 808 795 798 1 809 795 796 1 810 795 797 1 811 798 801 1 812 798 799 1 813 798 800 1 814 801 804 1 815 801 802 1 816 801 803 1 817 804 805 1 818 804 806 1 819 804 807 1 820 808 810 1 821 808 809 1 822 810 814 1 823 810 812 1 824 810 811 1 825 812 813 2 826 812 822 am 827 814 817 1 828 814 815 1 829 814 816 1 830 817 818 2 831 817 819 am 832 819 820 1 833 819 821 1 834 822 833 1 835 822 823 1 836 823 827 1 837 823 825 1 838 823 824 1 839 825 826 2 840 825 836 am 841 827 830 1 842 827 828 1 843 827 829 1 844 830 833 1 845 830 831 1 846 830 832 1 847 833 834 1 848 833 835 1 849 836 838 1 850 836 837 1 851 838 842 1 852 838 840 1 853 838 839 1 854 840 841 2 855 840 853 am 856 842 845 1 857 842 843 1 858 842 844 1 859 845 848 1 860 845 846 1 861 845 847 1 862 848 849 1 863 849 850 1 864 849 851 1 865 849 852 1 866 853 855 1 867 853 854 1 868 855 859 1 869 855 857 1 870 855 856 1 871 857 858 2 872 857 865 am 873 859 862 1 874 859 860 1 875 859 861 1 876 862 863 ar 877 862 864 ar 878 865 867 1 879 865 866 1 880 867 871 1 881 867 869 1 882 867 868 1 883 869 870 2 884 869 884 am 885 871 874 1 886 871 872 1 887 871 873 1 888 874 876 1 889 874 880 1 890 874 875 1 891 876 877 1 892 876 878 1 893 876 879 1 894 880 881 1 895 880 882 1 896 880 883 1 897 884 886 1 898 884 885 1 899 886 890 1 900 886 888 1 901 886 887 1 902 888 889 2 903 888 895 am 904 890 893 1 905 890 891 1 906 890 892 1 907 893 894 1 908 895 897 1 909 895 896 1 910 897 901 1 911 897 899 1 912 897 898 1 913 899 900 2 914 899 909 am 915 901 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1921 1892 1895 1 1922 1892 1893 1 1923 1892 1894 1 1924 1895 1896 1 1925 1897 1899 1 1926 1897 1898 1 1927 1899 1904 1 1928 1899 1901 1 1929 1899 1900 1 1930 1901 1903 2 1931 1901 1902 1 1932 1904 1907 1 1933 1904 1905 1 1934 1904 1906 1 1935 1907 1909 1 1936 1907 1913 1 1937 1907 1908 1 1938 1909 1910 1 1939 1909 1911 1 1940 1909 1912 1 1941 1913 1914 1 1942 1913 1915 1 1943 1913 1916 1 @SUBSTRUCTURE 1 LYS1 5 RESIDUE 1 B LYS 1 ROOT 2 ILE2 27 RESIDUE 1 B ILE 2 3 PHE3 46 RESIDUE 1 B PHE 2 4 LYS4 66 RESIDUE 1 B LYS 2 5 PRO5 87 RESIDUE 1 B PRO 2 6 GLU6 102 RESIDUE 1 B GLU 2 7 GLU7 117 RESIDUE 1 B GLU 2 8 LEU8 132 RESIDUE 1 B LEU 2 9 ARG9 151 RESIDUE 1 B ARG 2 10 GLN10 175 RESIDUE 1 B GLN 2 11 ALA11 192 RESIDUE 1 B ALA 2 12 LEU12 202 RESIDUE 1 B LEU 2 13 MET13 221 RESIDUE 1 B MET 2 14 PRO14 237 RESIDUE 1 B PRO 2 15 THR15 252 RESIDUE 1 B THR 2 16 LEU16 266 RESIDUE 1 B LEU 2 17 GLU17 285 RESIDUE 1 B GLU 2 18 ALA18 300 RESIDUE 1 B ALA 2 19 LEU19 310 RESIDUE 1 B LEU 2 20 TYR20 329 RESIDUE 1 B TYR 2 21 ARG21 350 RESIDUE 1 B ARG 2 22 GLN22 374 RESIDUE 1 B GLN 2 23 ASP23 391 RESIDUE 1 B ASP 2 24 PRO24 402 RESIDUE 1 B PRO 2 25 GLU25 417 RESIDUE 1 B GLU 2 26 SER26 432 RESIDUE 1 B SER 2 27 LEU27 443 RESIDUE 1 B LEU 2 28 PRO28 461 RESIDUE 1 B PRO 2 29 PHE29 476 RESIDUE 1 B PHE 2 30 ARG30 496 RESIDUE 1 B ARG 2 31 GLN31 520 RESIDUE 1 B GLN 2 32 PRO32 536 RESIDUE 1 B PRO 2 33 VAL33 551 RESIDUE 1 B VAL 2 34 ASP34 567 RESIDUE 1 B ASP 2 35 PRO35 578 RESIDUE 1 B PRO 2 36 GLN36 593 RESIDUE 1 B GLN 2 37 LEU37 610 RESIDUE 1 B LEU 2 38 LEU38 629 RESIDUE 1 B LEU 2 39 GLY39 648 RESIDUE 1 B GLY 2 40 ILE40 655 RESIDUE 1 B ILE 2 41 PRO41 673 RESIDUE 1 B PRO 2 42 ASP42 688 RESIDUE 1 B ASP 2 43 TYR43 700 RESIDUE 1 B TYR 2 44 PHE44 721 RESIDUE 1 B PHE 2 45 ASP45 741 RESIDUE 1 B ASP 2 46 ILE46 753 RESIDUE 1 B ILE 2 47 VAL47 772 RESIDUE 1 B VAL 2 48 LYS48 788 RESIDUE 1 B LYS 2 49 ASN49 810 RESIDUE 1 B ASN 2 50 PRO50 823 RESIDUE 1 B PRO 2 51 MET51 838 RESIDUE 1 B MET 2 52 ASP52 855 RESIDUE 1 B ASP 2 53 LEU53 867 RESIDUE 1 B LEU 2 54 SER54 886 RESIDUE 1 B SER 2 55 THR55 897 RESIDUE 1 B THR 2 56 ILE56 911 RESIDUE 1 B ILE 2 57 LYS57 930 RESIDUE 1 B LYS 2 58 ARG58 952 RESIDUE 1 B ARG 2 59 LYS59 976 RESIDUE 1 B LYS 2 60 LEU60 998 RESIDUE 1 B LEU 2 61 ASP61 1017 RESIDUE 1 B ASP 2 62 THR62 1029 RESIDUE 1 B THR 2 63 GLY63 1043 RESIDUE 1 B GLY 2 64 GLN64 1050 RESIDUE 1 B GLN 2 65 TYR65 1067 RESIDUE 1 B TYR 2 66 GLN66 1088 RESIDUE 1 B GLN 2 67 GLU67 1105 RESIDUE 1 B GLU 2 68 PRO68 1119 RESIDUE 1 B PRO 2 69 TRP69 1134 RESIDUE 1 B TRP 2 70 GLN70 1158 RESIDUE 1 B GLN 2 71 TYR71 1175 RESIDUE 1 B TYR 2 72 VAL72 1196 RESIDUE 1 B VAL 2 73 ASP73 1212 RESIDUE 1 B ASP 2 74 ASP74 1224 RESIDUE 1 B ASP 2 75 VAL75 1236 RESIDUE 1 B VAL 2 76 TRP76 1252 RESIDUE 1 B TRP 2 77 LEU77 1276 RESIDUE 1 B LEU 2 78 MET78 1295 RESIDUE 1 B MET 2 79 PHE79 1312 RESIDUE 1 B PHE 2 80 ASN80 1332 RESIDUE 1 B ASN 2 81 ASN81 1346 RESIDUE 1 B ASN 2 82 ALA82 1360 RESIDUE 1 B ALA 2 83 TRP83 1370 RESIDUE 1 B TRP 2 84 LEU84 1394 RESIDUE 1 B LEU 2 85 TYR85 1413 RESIDUE 1 B TYR 2 86 ASN86 1434 RESIDUE 1 B ASN 2 87 ARG87 1448 RESIDUE 1 B ARG 2 88 LYS88 1472 RESIDUE 1 B LYS 2 89 THR89 1494 RESIDUE 1 B THR 2 90 SER90 1508 RESIDUE 1 B SER 2 91 ARG91 1519 RESIDUE 1 B ARG 2 92 VAL92 1543 RESIDUE 1 B VAL 2 93 TYR93 1559 RESIDUE 1 B TYR 2 94 LYS94 1580 RESIDUE 1 B LYS 2 95 PHE95 1602 RESIDUE 1 B PHE 2 96 CYS96 1622 RESIDUE 1 B CYS 2 97 SER97 1633 RESIDUE 1 B SER 2 98 LYS98 1644 RESIDUE 1 B LYS 2 99 LEU99 1666 RESIDUE 1 B LEU 2 100 ALA100 1685 RESIDUE 1 B ALA 2 101 GLU101 1695 RESIDUE 1 B GLU 2 102 VAL102 1710 RESIDUE 1 B VAL 2 103 PHE103 1726 RESIDUE 1 B PHE 2 104 GLU104 1746 RESIDUE 1 B GLU 2 105 GLN105 1761 RESIDUE 1 B GLN 2 106 GLU106 1778 RESIDUE 1 B GLU 2 107 ILE107 1793 RESIDUE 1 B ILE 2 108 ASP108 1812 RESIDUE 1 B ASP 2 109 PRO109 1823 RESIDUE 1 B PRO 2 110 VAL110 1838 RESIDUE 1 B VAL 2 111 MET111 1854 RESIDUE 1 B MET 2 112 GLN112 1871 RESIDUE 1 B GLN 2 113 SER113 1888 RESIDUE 1 B SER 2 114 LEU114 1899 RESIDUE 1 B LEU 1