#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 6q96_min 1479 1493 87 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N -10.4960 5.3590 -6.9400 N.4 1 GLU1 -0.0641 2 CA -10.7110 6.5980 -7.7510 C.3 1 GLU1 0.1935 3 C -11.5420 6.3010 -8.9980 C.2 1 GLU1 0.2316 4 O -12.2380 7.1800 -9.5180 O.2 1 GLU1 -0.2773 5 CB -9.3870 7.3660 -7.9530 C.3 1 GLU1 -0.0068 6 CG -8.8700 8.0200 -6.6410 C.3 1 GLU1 0.0360 7 CD -9.2670 7.1690 -5.4180 C.2 1 GLU1 0.1760 8 OE1 -8.5100 6.3580 -4.9230 O.co2 1 GLU1 -0.6478 9 OE2 -10.3930 7.2670 -4.9600 O.co2 1 GLU1 -0.6478 10 H1 -11.3260 4.7400 -7.0050 H 1 GLU1 0.2750 11 H2 -10.3480 5.6420 -5.9440 H 1 GLU1 0.2750 12 H3 -9.6350 4.8710 -7.2550 H 1 GLU1 0.2750 13 HA -11.3840 7.2400 -7.1790 H 1 GLU1 0.0690 14 HB1 -9.5090 8.1450 -8.7070 H 1 GLU1 0.0295 15 HB2 -8.6310 6.6840 -8.3440 H 1 GLU1 0.0295 16 HG1 -9.3160 9.0070 -6.5140 H 1 GLU1 0.0374 17 HG2 -7.7890 8.1590 -6.6630 H 1 GLU1 0.0374 18 N -11.4570 5.0600 -9.4750 N.am 2 THR2 -0.2430 19 CA -12.3310 4.5710 -10.5360 C.3 2 THR2 0.1135 20 C -13.7210 4.3170 -9.9550 C.2 2 THR2 0.2212 21 O -13.8630 4.0490 -8.7580 O.2 2 THR2 -0.2777 22 CB -11.7400 3.2600 -11.0850 C.3 2 THR2 0.0763 23 OG1 -11.3800 2.4450 -9.9760 O.3 2 THR2 -0.3900 24 CG2 -10.5050 3.5240 -11.9610 C.3 2 THR2 -0.0370 25 H -10.7560 4.4300 -9.0850 H 2 THR2 0.1313 26 HA -12.4010 5.3330 -11.3150 H 2 THR2 0.0583 27 HB -12.5020 2.7590 -11.6970 H 2 THR2 0.0611 28 HG1 -11.0930 1.5850 -10.2740 H 2 THR2 0.2098 29 HG21 -10.1240 2.6050 -12.4080 H 2 THR2 0.0255 30 HG22 -9.6960 3.9720 -11.3830 H 2 THR2 0.0255 31 HG23 -10.7460 4.2040 -12.7780 H 2 THR2 0.0255 32 N -14.7430 4.4110 -10.8000 N.am 3 LEU3 -0.2456 33 CA -16.1170 4.2440 -10.3430 C.3 3 LEU3 0.0880 34 C -16.6310 2.8270 -10.5880 C.2 3 LEU3 0.2187 35 O -16.3020 2.2070 -11.5980 O.2 3 LEU3 -0.2778 36 CB -17.0200 5.2510 -11.0840 C.3 3 LEU3 -0.0266 37 CG -16.9210 6.7170 -10.6110 C.3 3 LEU3 -0.0449 38 CD1 -17.3920 6.8980 -9.1620 C.3 3 LEU3 -0.0626 39 CD2 -15.5350 7.3410 -10.8220 C.3 3 LEU3 -0.0626 40 H -14.5620 4.6030 -11.7850 H 3 LEU3 0.1312 41 HA -16.1600 4.4370 -9.2720 H 3 LEU3 0.0557 42 HB1 -18.0600 4.9470 -10.9770 H 3 LEU3 0.0287 43 HB2 -16.8130 5.1990 -12.1540 H 3 LEU3 0.0287 44 HG -17.6140 7.2810 -11.2370 H 3 LEU3 0.0296 45 HD11 -17.4530 7.9540 -8.9010 H 3 LEU3 0.0232 46 HD12 -16.7080 6.4280 -8.4560 H 3 LEU3 0.0232 47 HD13 -18.3820 6.4660 -9.0160 H 3 LEU3 0.0232 48 HD21 -15.5710 8.4200 -10.6720 H 3 LEU3 0.0232 49 HD22 -15.1680 7.1610 -11.8330 H 3 LEU3 0.0232 50 HD23 -14.8050 6.9450 -10.1180 H 3 LEU3 0.0232 51 N -17.4150 2.3140 -9.6410 N.am 4 VAL4 -0.2454 52 CA -18.1270 1.0440 -9.8110 C.3 4 VAL4 0.0901 53 C -19.6310 1.3150 -9.7850 C.2 4 VAL4 0.2189 54 O -20.0660 2.3460 -9.2630 O.2 4 VAL4 -0.2778 55 CB -17.7350 0.0360 -8.7070 C.3 4 VAL4 -0.0227 56 CG1 -16.2610 -0.3770 -8.8230 C.3 4 VAL4 -0.0608 57 CG2 -18.0480 0.5200 -7.2800 C.3 4 VAL4 -0.0608 58 H -17.5240 2.8240 -8.7640 H 4 VAL4 0.1312 59 HA -17.8860 0.6240 -10.7900 H 4 VAL4 0.0560 60 HB -18.3270 -0.8640 -8.8730 H 4 VAL4 0.0315 61 HG11 -16.0160 -1.1580 -8.1030 H 4 VAL4 0.0233 62 HG12 -15.5960 0.4670 -8.6380 H 4 VAL4 0.0233 63 HG13 -16.0400 -0.7650 -9.8170 H 4 VAL4 0.0233 64 HG21 -17.9170 -0.2910 -6.5640 H 4 VAL4 0.0233 65 HG22 -19.0750 0.8700 -7.1790 H 4 VAL4 0.0233 66 HG23 -17.3840 1.3280 -6.9760 H 4 VAL4 0.0233 67 N -20.4120 0.4020 -10.3600 N.am 5 ARG5 -0.2456 68 CA -21.8640 0.5420 -10.3890 C.3 5 ARG5 0.0881 69 C -22.5370 -0.6270 -9.6710 C.2 5 ARG5 0.2213 70 O -22.5140 -1.7570 -10.1640 O.2 5 ARG5 -0.2776 71 CB -22.4330 0.6410 -11.8150 C.3 5 ARG5 -0.0258 72 CG -23.8720 1.1990 -11.7800 C.3 5 ARG5 -0.0154 73 CD -24.7070 0.8960 -13.0320 C.3 5 ARG5 0.1045 74 NE -25.7530 1.8980 -13.2810 N.pl3 5 ARG5 -0.4450 75 CZ -26.6300 2.3940 -12.4040 C.cat 5 ARG5 0.5062 76 NH1 -26.6920 2.0200 -11.1570 N.pl3 5 ARG5 -0.4573 77 NH2 -27.4750 3.3050 -12.7960 N.pl3 5 ARG5 -0.4573 78 H -19.9830 -0.4170 -10.7920 H 5 ARG5 0.1312 79 HA -22.1250 1.4860 -9.9160 H 5 ARG5 0.0557 80 HB1 -22.3910 -0.3280 -12.3140 H 5 ARG5 0.0286 81 HB2 -21.8230 1.3140 -12.4150 H 5 ARG5 0.0286 82 HG1 -23.8190 2.2760 -11.6180 H 5 ARG5 0.0299 83 HG2 -24.4000 0.7950 -10.9160 H 5 ARG5 0.0299 84 HD1 -25.1840 -0.0840 -12.9720 H 5 ARG5 0.0711 85 HD2 -24.0700 0.8930 -13.9200 H 5 ARG5 0.0711 86 HE -25.8460 2.2770 -14.1980 H 5 ARG5 0.3153 87 HH11 -27.3500 2.5120 -10.5720 H 5 ARG5 0.3114 88 HH12 -26.1220 1.2940 -10.7870 H 5 ARG5 0.3114 89 HH21 -28.0820 3.6890 -12.0880 H 5 ARG5 0.3114 90 HH22 -27.5370 3.6250 -13.7340 H 5 ARG5 0.3114 91 N -23.1170 -0.3620 -8.4860 N.am 6 PRO6 -0.2316 92 CA -23.8520 -1.4010 -7.7610 C.3 6 PRO6 0.0907 93 C -25.0620 -1.9060 -8.5470 C.2 6 PRO6 0.2189 94 O -25.7010 -1.1250 -9.2730 O.2 6 PRO6 -0.2778 95 CB -24.3180 -0.6870 -6.4800 C.3 6 PRO6 -0.0276 96 CG -23.3910 0.5120 -6.3290 C.3 6 PRO6 -0.0379 97 CD -23.0410 0.9040 -7.7610 C.3 6 PRO6 0.0071 98 HA -23.1580 -2.2130 -7.5470 H 6 PRO6 0.0559 99 HB1 -24.3050 -1.3350 -5.6080 H 6 PRO6 0.0285 100 HB2 -25.3380 -0.3140 -6.5830 H 6 PRO6 0.0285 101 HG1 -22.4860 0.2080 -5.8010 H 6 PRO6 0.0278 102 HG2 -23.8470 1.3280 -5.7690 H 6 PRO6 0.0278 103 HD1 -23.7880 1.5630 -8.1950 H 6 PRO6 0.0431 104 HD2 -22.0390 1.3320 -7.8230 H 6 PRO6 0.0431 105 N -25.3470 -3.2020 -8.4280 N.am 7 LYS7 -0.2456 106 CA -26.6200 -3.7720 -8.8840 C.3 7 LYS7 0.0880 107 C -27.7590 -3.1530 -8.0660 C.2 7 LYS7 0.2213 108 O -27.5020 -2.5610 -7.0130 O.2 7 LYS7 -0.2776 109 CB -26.5960 -5.2980 -8.6980 C.3 7 LYS7 -0.0289 110 CG -25.6290 -5.9810 -9.6690 C.3 7 LYS7 -0.0496 111 CD -25.5980 -7.5080 -9.5140 C.3 7 LYS7 -0.0278 112 CE -24.4040 -8.1370 -10.2450 C.3 7 LYS7 0.1103 113 NZ -24.3460 -9.5920 -10.1250 N.4 7 LYS7 -0.0749 114 H -24.6550 -3.8200 -8.0050 H 7 LYS7 0.1312 115 HA -26.7260 -3.4950 -9.9330 H 7 LYS7 0.0557 116 HB1 -27.5920 -5.7120 -8.8550 H 7 LYS7 0.0285 117 HB2 -26.3200 -5.5370 -7.6700 H 7 LYS7 0.0285 118 HG1 -24.6280 -5.5710 -9.5380 H 7 LYS7 0.0266 119 HG2 -25.9340 -5.7290 -10.6830 H 7 LYS7 0.0266 120 HD1 -26.5330 -7.9260 -9.8870 H 7 LYS7 0.0282 121 HD2 -25.5550 -7.7650 -8.4560 H 7 LYS7 0.0282 122 HE1 -23.4750 -7.7440 -9.8350 H 7 LYS7 0.0559 123 HE2 -24.4240 -7.8830 -11.3070 H 7 LYS7 0.0559 124 HZ1 -23.5150 -9.9500 -10.6390 H 7 LYS7 0.2742 125 HZ2 -25.2100 -10.0220 -10.5100 H 7 LYS7 0.2742 126 HZ3 -24.2420 -9.8520 -9.1210 H 7 LYS7 0.2742 127 N -29.0347 -3.2580 -8.5392 N.am 8 PRO8 -0.2316 128 CA -30.1369 -2.5598 -7.8623 C.3 8 PRO8 0.0907 129 HA -29.9504 -1.4939 -8.0053 H 8 PRO8 0.0559 130 C -30.3116 -2.8326 -6.3452 C.2 8 PRO8 0.2189 131 O -30.5987 -1.9229 -5.5795 O.2 8 PRO8 -0.2778 132 CB -31.3712 -3.0000 -8.6615 C.3 8 PRO8 -0.0276 133 HB1 -32.1281 -2.2174 -8.7243 H 8 PRO8 0.0285 134 HB2 -31.8391 -3.8738 -8.2057 H 8 PRO8 0.0285 135 CG -30.8260 -3.3999 -10.0307 C.3 8 PRO8 -0.0379 136 HG1 -30.7223 -2.5090 -10.6515 H 8 PRO8 0.0278 137 HG2 -31.4767 -4.0983 -10.5575 H 8 PRO8 0.0278 138 CD -29.4438 -3.9828 -9.7396 C.3 8 PRO8 0.0071 139 HD1 -29.5110 -5.0402 -9.4854 H 8 PRO8 0.0431 140 HD2 -28.7442 -3.8195 -10.5590 H 8 PRO8 0.0431 141 N -30.1430 -4.1110 -5.9410 N.am 9 LEU9 -0.2456 142 CA -30.3020 -4.4550 -4.5290 C.3 9 LEU9 0.0880 143 C -29.1640 -3.9470 -3.6350 C.2 9 LEU9 0.2187 144 O -29.4130 -3.5320 -2.5020 O.2 9 LEU9 -0.2778 145 CB -30.4720 -5.9800 -4.4070 C.3 9 LEU9 -0.0266 146 CG -31.6080 -6.5820 -5.2580 C.3 9 LEU9 -0.0449 147 CD1 -31.5890 -8.1130 -5.1540 C.3 9 LEU9 -0.0626 148 CD2 -32.9890 -6.0420 -4.8680 C.3 9 LEU9 -0.0626 149 H -29.9450 -4.8490 -6.6170 H 9 LEU9 0.1312 150 HA -31.2110 -3.9570 -4.1960 H 9 LEU9 0.0557 151 HB1 -30.6340 -6.2500 -3.3620 H 9 LEU9 0.0287 152 HB2 -29.5410 -6.4580 -4.7140 H 9 LEU9 0.0287 153 HG -31.4340 -6.3330 -6.3060 H 9 LEU9 0.0296 154 HD11 -32.3620 -8.5600 -5.7800 H 9 LEU9 0.0232 155 HD12 -31.7600 -8.4430 -4.1290 H 9 LEU9 0.0232 156 HD13 -30.6300 -8.5190 -5.4770 H 9 LEU9 0.0232 157 HD21 -33.7650 -6.4830 -5.4950 H 9 LEU9 0.0232 158 HD22 -33.0510 -4.9610 -4.9950 H 9 LEU9 0.0232 159 HD23 -33.2280 -6.2850 -3.8340 H 9 LEU9 0.0232 160 N -27.9290 -3.9480 -4.1400 N.am 10 LEU10 -0.2456 161 CA -26.8270 -3.3200 -3.3980 C.3 10 LEU10 0.0880 162 C -27.0490 -1.8070 -3.3310 C.2 10 LEU10 0.2187 163 O -26.8590 -1.2010 -2.2910 O.2 10 LEU10 -0.2778 164 CB -25.4880 -3.6770 -4.0680 C.3 10 LEU10 -0.0266 165 CG -24.2450 -3.0600 -3.3920 C.3 10 LEU10 -0.0449 166 CD1 -24.1220 -3.4660 -1.9160 C.3 10 LEU10 -0.0626 167 CD2 -22.9630 -3.4310 -4.1520 C.3 10 LEU10 -0.0626 168 H -27.7490 -4.3860 -5.0440 H 10 LEU10 0.1312 169 HA -26.8570 -3.7170 -2.3820 H 10 LEU10 0.0557 170 HB1 -25.5170 -3.3710 -5.1150 H 10 LEU10 0.0287 171 HB2 -25.3850 -4.7620 -4.0770 H 10 LEU10 0.0287 172 HG -24.3370 -1.9740 -3.4250 H 10 LEU10 0.0296 173 HD11 -23.2100 -3.0570 -1.4820 H 10 LEU10 0.0232 174 HD12 -24.0880 -4.5500 -1.8030 H 10 LEU10 0.0232 175 HD13 -24.9560 -3.0900 -1.3230 H 10 LEU10 0.0232 176 HD21 -22.1010 -2.9010 -3.7470 H 10 LEU10 0.0232 177 HD22 -23.0350 -3.1830 -5.2100 H 10 LEU10 0.0232 178 HD23 -22.7560 -4.4970 -4.0750 H 10 LEU10 0.0232 179 N -27.4860 -1.2140 -4.4400 N.am 11 LEU11 -0.2456 180 CA -27.7950 0.2150 -4.4630 C.3 11 LEU11 0.0880 181 C -28.8660 0.5800 -3.4290 C.2 11 LEU11 0.2187 182 O -28.7640 1.6120 -2.7570 O.2 11 LEU11 -0.2778 183 CB -28.2370 0.5470 -5.8980 C.3 11 LEU11 -0.0266 184 CG -28.2050 2.0370 -6.2550 C.3 11 LEU11 -0.0449 185 CD1 -26.7670 2.5750 -6.2760 C.3 11 LEU11 -0.0626 186 CD2 -28.8750 2.2580 -7.6150 C.3 11 LEU11 -0.0626 187 H -27.6070 -1.7660 -5.2890 H 11 LEU11 0.1312 188 HA -26.8740 0.7310 -4.2030 H 11 LEU11 0.0557 189 HB1 -29.2390 0.1570 -6.0700 H 11 LEU11 0.0287 190 HB2 -27.5990 0.0160 -6.6050 H 11 LEU11 0.0287 191 HG -28.7740 2.5840 -5.5030 H 11 LEU11 0.0296 192 HD11 -26.7440 3.6110 -6.6080 H 11 LEU11 0.0232 193 HD12 -26.1390 2.0010 -6.9580 H 11 LEU11 0.0232 194 HD13 -26.3110 2.5410 -5.2870 H 11 LEU11 0.0232 195 HD21 -28.8810 3.3100 -7.8860 H 11 LEU11 0.0232 196 HD22 -29.9100 1.9130 -7.6080 H 11 LEU11 0.0232 197 HD23 -28.3510 1.7200 -8.4050 H 11 LEU11 0.0232 198 N -29.8790 -0.2730 -3.3000 N.am 12 LYS12 -0.2457 199 CA -30.9430 -0.0600 -2.3180 C.3 12 LYS12 0.0878 200 C -30.3860 -0.0070 -0.8920 C.2 12 LYS12 0.2187 201 O -30.7630 0.8610 -0.1030 O.2 12 LYS12 -0.2778 202 CB -31.9230 -1.2660 -2.4630 C.3 12 LYS12 -0.0289 203 CG -32.7860 -1.6290 -1.2280 C.3 12 LYS12 -0.0496 204 CD -33.6540 -2.9020 -1.3680 C.3 12 LYS12 -0.0278 205 CE -32.8600 -4.2110 -1.5760 C.3 12 LYS12 0.1103 206 NZ -33.4560 -5.4170 -0.9710 N.4 12 LYS12 -0.0749 207 H -29.9150 -1.0970 -3.9010 H 12 LYS12 0.1312 208 HA -31.4310 0.8900 -2.5420 H 12 LYS12 0.0557 209 HB1 -31.3430 -2.1480 -2.7200 H 12 LYS12 0.0285 210 HB2 -32.5690 -1.0920 -3.3250 H 12 LYS12 0.0285 211 HG1 -33.4280 -0.7800 -0.9900 H 12 LYS12 0.0266 212 HG2 -32.1520 -1.7740 -0.3530 H 12 LYS12 0.0266 213 HD1 -34.3760 -2.7740 -2.1760 H 12 LYS12 0.0282 214 HD2 -34.2450 -2.9920 -0.4550 H 12 LYS12 0.0282 215 HE1 -31.8520 -4.1060 -1.1800 H 12 LYS12 0.0559 216 HE2 -32.7360 -4.3920 -2.6420 H 12 LYS12 0.0559 217 HZ1 -32.8630 -6.2550 -1.1640 H 12 LYS12 0.2742 218 HZ2 -34.4090 -5.5900 -1.3480 H 12 LYS12 0.2742 219 HZ3 -33.5110 -5.3150 0.0640 H 12 LYS12 0.2742 220 N -29.4880 -0.9400 -0.5760 N.am 13 LEU13 -0.2456 221 CA -28.8200 -0.9680 0.7220 C.3 13 LEU13 0.0880 222 C -28.0390 0.3280 0.9690 C.2 13 LEU13 0.2187 223 O -28.1190 0.9160 2.0530 O.2 13 LEU13 -0.2778 224 CB -27.8610 -2.1810 0.7370 C.3 13 LEU13 -0.0266 225 CG -27.1940 -2.4910 2.0950 C.3 13 LEU13 -0.0449 226 CD1 -26.7500 -3.9590 2.1630 C.3 13 LEU13 -0.0626 227 CD2 -25.9910 -1.5820 2.4030 C.3 13 LEU13 -0.0626 228 H -29.2600 -1.6580 -1.2640 H 13 LEU13 0.1312 229 HA -29.5920 -1.0690 1.4850 H 13 LEU13 0.0557 230 HB1 -27.0880 -2.0700 -0.0230 H 13 LEU13 0.0287 231 HB2 -28.4290 -3.0560 0.4280 H 13 LEU13 0.0287 232 HG -27.9430 -2.3480 2.8700 H 13 LEU13 0.0296 233 HD11 -26.2810 -4.1860 3.1200 H 13 LEU13 0.0232 234 HD12 -26.0300 -4.1910 1.3780 H 13 LEU13 0.0232 235 HD13 -27.6000 -4.6300 2.0560 H 13 LEU13 0.0232 236 HD21 -25.4370 -1.9530 3.2650 H 13 LEU13 0.0232 237 HD22 -26.2830 -0.5660 2.6530 H 13 LEU13 0.0232 238 HD23 -25.3020 -1.5370 1.5590 H 13 LEU13 0.0232 239 N -27.2820 0.7660 -0.0370 N.am 14 LEU14 -0.2456 240 CA -26.4650 1.9710 0.0900 C.3 14 LEU14 0.0880 241 C -27.3380 3.1990 0.3230 C.2 14 LEU14 0.2187 242 O -27.0410 4.0280 1.1810 O.2 14 LEU14 -0.2778 243 CB -25.6050 2.1400 -1.1810 C.3 14 LEU14 -0.0266 244 CG -24.5780 1.0100 -1.4140 C.3 14 LEU14 -0.0449 245 CD1 -24.0120 1.0640 -2.8400 C.3 14 LEU14 -0.0626 246 CD2 -23.4270 1.0610 -0.4040 C.3 14 LEU14 -0.0626 247 H -27.2730 0.2480 -0.9160 H 14 LEU14 0.1312 248 HA -25.8330 1.8420 0.9690 H 14 LEU14 0.0557 249 HB1 -25.0760 3.0930 -1.1490 H 14 LEU14 0.0287 250 HB2 -26.2710 2.1960 -2.0440 H 14 LEU14 0.0287 251 HG -25.0720 0.0470 -1.2950 H 14 LEU14 0.0296 252 HD11 -23.2980 0.2580 -3.0110 H 14 LEU14 0.0232 253 HD12 -23.4980 2.0080 -3.0250 H 14 LEU14 0.0232 254 HD13 -24.8000 0.9630 -3.5830 H 14 LEU14 0.0232 255 HD21 -22.7240 0.2430 -0.5670 H 14 LEU14 0.0232 256 HD22 -23.7830 0.9840 0.6230 H 14 LEU14 0.0232 257 HD23 -22.8760 1.9940 -0.5110 H 14 LEU14 0.0232 258 N -28.4280 3.2950 -0.4290 N.am 15 LYS15 -0.2457 259 CA -29.3480 4.4220 -0.2800 C.3 15 LYS15 0.0878 260 C -30.0540 4.4390 1.0810 C.2 15 LYS15 0.2187 261 O -30.4170 5.5120 1.5780 O.2 15 LYS15 -0.2778 262 CB -30.1900 4.5360 -1.5710 C.3 15 LYS15 -0.0289 263 CG -29.2600 4.7760 -2.7940 C.3 15 LYS15 -0.0496 264 CD -29.9220 5.0240 -4.1620 C.3 15 LYS15 -0.0278 265 CE -28.8610 5.4600 -5.2000 C.3 15 LYS15 0.1103 266 NZ -29.2950 5.5490 -6.6000 N.4 15 LYS15 -0.0749 267 H -28.6270 2.5720 -1.1210 H 15 LYS15 0.1312 268 HA -28.7130 5.3090 -0.2520 H 15 LYS15 0.0557 269 HB1 -30.8920 5.3660 -1.4790 H 15 LYS15 0.0285 270 HB2 -30.7810 3.6310 -1.7150 H 15 LYS15 0.0285 271 HG1 -28.5640 3.9470 -2.9050 H 15 LYS15 0.0266 272 HG2 -28.6220 5.6260 -2.5800 H 15 LYS15 0.0266 273 HD1 -30.6880 5.7950 -4.0710 H 15 LYS15 0.0282 274 HD2 -30.4250 4.1140 -4.4910 H 15 LYS15 0.0282 275 HE1 -28.0200 4.7670 -5.1640 H 15 LYS15 0.0559 276 HE2 -28.4550 6.4340 -4.9200 H 15 LYS15 0.0559 277 HZ1 -28.5020 5.8310 -7.2210 H 15 LYS15 0.2742 278 HZ2 -30.0470 6.2510 -6.7270 H 15 LYS15 0.2742 279 HZ3 -29.6140 4.6310 -6.9650 H 15 LYS15 0.2742 280 N -30.2070 3.2640 1.6990 N.am 16 SER16 -0.2436 281 CA -30.7930 3.1720 3.0440 C.3 16 SER16 0.1109 282 C -29.9200 3.8240 4.1240 C.2 16 SER16 0.2209 283 O -30.3990 4.1110 5.2240 O.2 16 SER16 -0.2777 284 CB -31.2290 1.7450 3.3940 C.3 16 SER16 0.0681 285 OG -30.1370 0.9110 3.7480 O.3 16 SER16 -0.3930 286 H -29.9100 2.4100 1.2260 H 16 SER16 0.1312 287 HA -31.7000 3.7760 2.9960 H 16 SER16 0.0580 288 HB1 -31.7720 1.3340 2.5350 H 16 SER16 0.0577 289 HB2 -31.9280 1.7940 4.2360 H 16 SER16 0.0577 290 HG -30.4140 0.0090 3.8520 H 16 SER16 0.2095 291 N -28.6430 4.0450 3.8210 N.am 17 VAL17 -0.2453 292 CA -27.7610 4.7520 4.7480 C.3 17 VAL17 0.0901 293 C -27.3300 6.1180 4.2170 C.2 17 VAL17 0.2187 294 O -26.2970 6.6580 4.6170 O.2 17 VAL17 -0.2778 295 CB -26.5480 3.8530 5.0810 C.3 17 VAL17 -0.0227 296 CG1 -26.9720 2.6240 5.8920 C.3 17 VAL17 -0.0608 297 CG2 -25.7540 3.4190 3.8410 C.3 17 VAL17 -0.0608 298 H -28.2740 3.7160 2.9290 H 17 VAL17 0.1312 299 HA -28.2940 4.9580 5.6770 H 17 VAL17 0.0560 300 HB -25.8720 4.4230 5.7160 H 17 VAL17 0.0315 301 HG11 -26.1010 2.0390 6.1800 H 17 VAL17 0.0233 302 HG12 -27.6350 1.9790 5.3150 H 17 VAL17 0.0233 303 HG13 -27.4950 2.9130 6.8040 H 17 VAL17 0.0233 304 HG21 -24.8320 2.9170 4.1310 H 17 VAL17 0.0233 305 HG22 -25.4820 4.2720 3.2210 H 17 VAL17 0.0233 306 HG23 -26.3250 2.7220 3.2270 H 17 VAL17 0.0233 307 N -28.1340 6.6670 3.3100 N.am 18 GLY18 -0.2485 308 CA -27.9880 8.0630 2.8980 C.3 18 GLY18 0.0765 309 C -27.2460 8.3400 1.6030 C.2 18 GLY18 0.2155 310 O -27.1190 9.5010 1.2090 O.2 18 GLY18 -0.2781 311 H -28.8710 6.1000 2.8910 H 18 GLY18 0.1309 312 HA1 -27.5150 8.6280 3.7030 H 18 GLY18 0.0521 313 HA2 -29.0020 8.4470 2.7910 H 18 GLY18 0.0521 314 N -26.7530 7.2940 0.9400 N.am 19 ALA19 -0.2462 315 CA -26.0860 7.4550 -0.3570 C.3 19 ALA19 0.0850 316 C -27.0850 7.9290 -1.4140 C.2 19 ALA19 0.2184 317 O -28.2540 7.5370 -1.3960 O.2 19 ALA19 -0.2778 318 CB -25.4760 6.0980 -0.7210 C.3 19 ALA19 -0.0411 319 H -26.8410 6.3610 1.3430 H 19 ALA19 0.1311 320 HA -25.3030 8.2030 -0.2180 H 19 ALA19 0.0554 321 HB1 -24.6980 6.2100 -1.4670 H 19 ALA19 0.0249 322 HB2 -26.2240 5.4000 -1.0980 H 19 ALA19 0.0249 323 HB3 -25.0090 5.6350 0.1490 H 19 ALA19 0.0249 324 N -26.6240 8.7690 -2.3340 N.am 20 GLN20 -0.2456 325 CA -27.5440 9.4200 -3.2670 C.3 20 GLN20 0.0882 326 C -27.1830 9.3150 -4.7490 C.2 20 GLN20 0.2187 327 O -27.8690 9.9000 -5.5920 O.2 20 GLN20 -0.2778 328 CB -27.6610 10.9080 -2.8870 C.3 20 GLN20 -0.0210 329 CG -27.9840 11.1290 -1.3990 C.3 20 GLN20 0.0225 330 CD -28.2760 12.6020 -1.0950 C.2 20 GLN20 0.1981 331 OE1 -28.2560 13.4610 -1.9650 O.2 20 GLN20 -0.2798 332 NE2 -28.5490 12.8330 0.1970 N.am 20 GLN20 -0.2724 333 H -25.6240 8.9610 -2.3910 H 20 GLN20 0.1312 334 HA -28.5340 8.9690 -3.1770 H 20 GLN20 0.0557 335 HB1 -28.4390 11.3700 -3.4980 H 20 GLN20 0.0289 336 HB2 -26.7320 11.4290 -3.1280 H 20 GLN20 0.0289 337 HG1 -27.1380 10.8310 -0.7830 H 20 GLN20 0.0356 338 HG2 -28.8450 10.5340 -1.0950 H 20 GLN20 0.0356 339 HE21 -28.7630 13.7640 0.4920 H 20 GLN20 0.1266 340 HE22 -28.5400 12.0930 0.8690 H 20 GLN20 0.1266 341 N -26.1270 8.5770 -5.0770 N.am 21 LYS21 -0.2457 342 CA -25.7200 8.4500 -6.4820 C.3 21 LYS21 0.0878 343 C -25.8280 7.0280 -7.0340 C.2 21 LYS21 0.2187 344 O -26.2060 6.1020 -6.3110 O.2 21 LYS21 -0.2778 345 CB -24.3270 9.0810 -6.6640 C.3 21 LYS21 -0.0289 346 CG -23.2140 8.4720 -5.8010 C.3 21 LYS21 -0.0496 347 CD -21.8900 9.2360 -5.9700 C.3 21 LYS21 -0.0278 348 CE -20.7540 8.6490 -5.1260 C.3 21 LYS21 0.1103 349 NZ -19.4880 9.3550 -5.2760 N.4 21 LYS21 -0.0749 350 H -25.5970 8.0970 -4.3490 H 21 LYS21 0.1312 351 HA -26.4030 9.0310 -7.1050 H 21 LYS21 0.0557 352 HB1 -24.4080 10.1420 -6.4230 H 21 LYS21 0.0285 353 HB2 -24.0320 9.0440 -7.7140 H 21 LYS21 0.0285 354 HG1 -23.0800 7.4240 -6.0700 H 21 LYS21 0.0266 355 HG2 -23.5030 8.4900 -4.7500 H 21 LYS21 0.0266 356 HD1 -22.0400 10.2810 -5.6980 H 21 LYS21 0.0282 357 HD2 -21.6010 9.2280 -7.0220 H 21 LYS21 0.0282 358 HE1 -20.5770 7.6110 -5.3930 H 21 LYS21 0.0559 359 HE2 -21.0140 8.6580 -4.0650 H 21 LYS21 0.0559 360 HZ1 -18.7600 8.8400 -4.7350 H 21 LYS21 0.2742 361 HZ2 -19.5310 10.2820 -4.8130 H 21 LYS21 0.2742 362 HZ3 -19.1920 9.4100 -6.2650 H 21 LYS21 0.2742 363 N -25.5260 6.8740 -8.3230 N.am 22 ASP22 -0.2451 364 CA -25.6260 5.5800 -8.9980 C.3 22 ASP22 0.0974 365 C -24.2870 4.8640 -9.0670 C.2 22 ASP22 0.2193 366 O -24.2420 3.6410 -9.1260 O.2 22 ASP22 -0.2778 367 CB -26.5030 5.6110 -10.2550 C.3 22 ASP22 0.0576 368 CG -27.8970 5.0950 -9.8420 C.2 22 ASP22 0.1780 369 OD1 -28.3330 4.0700 -10.3490 O.co2 22 ASP22 -0.6478 370 OD2 -28.5290 5.7110 -8.9900 O.co2 22 ASP22 -0.6478 371 H -25.2150 7.6860 -8.8570 H 22 ASP22 0.1312 372 HA -26.1120 4.9120 -8.2850 H 22 ASP22 0.0563 373 HB1 -26.0980 4.9740 -11.0400 H 22 ASP22 0.0394 374 HB2 -26.5950 6.6190 -10.6580 H 22 ASP22 0.0394 375 N -23.2020 5.6320 -9.0710 N.am 23 THR23 -0.2434 376 CA -21.8550 5.0730 -9.1720 C.3 23 THR23 0.1135 377 C -20.9920 5.5840 -8.0320 C.2 23 THR23 0.2212 378 O -21.2000 6.6920 -7.5330 O.2 23 THR23 -0.2777 379 CB -21.2170 5.4180 -10.5280 C.3 23 THR23 0.0763 380 OG1 -21.2470 6.8260 -10.7070 O.3 23 THR23 -0.3900 381 CG2 -21.9290 4.6990 -11.6840 C.3 23 THR23 -0.0370 382 H -23.3130 6.6440 -9.0010 H 23 THR23 0.1313 383 HA -21.9120 3.9890 -9.0600 H 23 THR23 0.0583 384 HB -20.1780 5.0730 -10.5020 H 23 THR23 0.0611 385 HG1 -20.8210 7.0730 -11.5220 H 23 THR23 0.2098 386 HG21 -21.4350 4.8810 -12.6380 H 23 THR23 0.0255 387 HG22 -22.9660 5.0220 -11.7760 H 23 THR23 0.0255 388 HG23 -21.9260 3.6220 -11.5190 H 23 THR23 0.0255 389 N -20.0240 4.7680 -7.6250 N.am 24 TYR24 -0.2453 390 CA -19.2430 5.0280 -6.4200 C.3 24 TYR24 0.0918 391 C -17.8100 4.5770 -6.5920 C.2 24 TYR24 0.2191 392 O -17.5280 3.7130 -7.4130 O.2 24 TYR24 -0.2778 393 CB -19.8340 4.2110 -5.2510 C.3 24 TYR24 -0.0036 394 CG -21.2460 4.5880 -4.8900 C.ar 24 TYR24 -0.0453 395 CD1 -22.3270 3.9830 -5.5240 C.ar 24 TYR24 -0.0561 396 CD2 -21.4910 5.5260 -3.8920 C.ar 24 TYR24 -0.0561 397 CE1 -23.6280 4.3310 -5.1900 C.ar 24 TYR24 -0.0317 398 CE2 -22.7920 5.8680 -3.5500 C.ar 24 TYR24 -0.0317 399 CZ -23.8630 5.2690 -4.1980 C.ar 24 TYR24 0.0726 400 OH -25.1590 5.6150 -3.8740 O.3 24 TYR24 -0.3598 401 H -19.8200 3.9320 -8.1730 H 24 TYR24 0.1312 402 HA -19.2360 6.0970 -6.2070 H 24 TYR24 0.0560 403 HB1 -19.2170 4.3200 -4.3580 H 24 TYR24 0.0333 404 HB2 -19.8220 3.1510 -5.5080 H 24 TYR24 0.0333 405 HD1 -22.1550 3.2500 -6.2990 H 24 TYR24 0.0621 406 HD2 -20.6630 6.0050 -3.3880 H 24 TYR24 0.0621 407 HE1 -24.4580 3.8790 -5.7070 H 24 TYR24 0.0643 408 HE2 -22.9630 6.6130 -2.7890 H 24 TYR24 0.0643 409 HH -25.1540 6.2660 -3.1870 H 24 TYR24 0.2173 410 N -16.9090 5.1550 -5.8030 N.am 25 THR25 -0.2434 411 CA -15.5890 4.5650 -5.6140 C.3 25 THR25 0.1135 412 C -15.7660 3.3740 -4.6820 C.2 25 THR25 0.2212 413 O -16.7680 3.2920 -3.9590 O.2 25 THR25 -0.2777 414 CB -14.5770 5.5950 -5.0870 C.3 25 THR25 0.0763 415 OG1 -14.9780 6.1410 -3.8530 O.3 25 THR25 -0.3900 416 CG2 -14.2990 6.7090 -6.1100 C.3 25 THR25 -0.0370 417 H -17.1450 6.0240 -5.3230 H 25 THR25 0.1313 418 HA -15.2530 4.1910 -6.5830 H 25 THR25 0.0583 419 HB -13.6330 5.0830 -4.8970 H 25 THR25 0.0611 420 HG1 -15.8030 6.6060 -3.9930 H 25 THR25 0.2098 421 HG21 -13.5670 7.4180 -5.7210 H 25 THR25 0.0255 422 HG22 -15.2010 7.2690 -6.3610 H 25 THR25 0.0255 423 HG23 -13.9050 6.2960 -7.0380 H 25 THR25 0.0255 424 N -14.8050 2.4540 -4.6980 N.am 26 MET26 -0.2456 425 CA -14.8260 1.3210 -3.7660 C.3 26 MET26 0.0886 426 C -14.7510 1.7910 -2.3150 C.2 26 MET26 0.2187 427 O -15.4180 1.2380 -1.4330 O.2 26 MET26 -0.2778 428 CB -13.7020 0.3410 -4.1240 C.3 26 MET26 -0.0199 429 CG -13.7290 -0.9490 -3.2920 C.3 26 MET26 -0.0047 430 SD -15.3370 -1.7690 -3.3130 S.3 26 MET26 -0.1641 431 CE -15.5520 -1.9920 -5.0880 C.3 26 MET26 -0.0181 432 H -14.0410 2.5380 -5.3690 H 26 MET26 0.1312 433 HA -15.7950 0.8360 -3.9030 H 26 MET26 0.0557 434 HB1 -12.7330 0.8270 -4.0080 H 26 MET26 0.0293 435 HB2 -13.7830 0.0870 -5.1810 H 26 MET26 0.0293 436 HG1 -13.4670 -0.7320 -2.2560 H 26 MET26 0.0377 437 HG2 -12.9800 -1.6390 -3.6810 H 26 MET26 0.0377 438 HE1 -16.1550 -2.8800 -5.2800 H 26 MET26 0.0340 439 HE2 -14.5890 -2.1370 -5.5770 H 26 MET26 0.0340 440 HE3 -16.0440 -1.1240 -5.5250 H 26 MET26 0.0340 441 N -13.9430 2.8190 -2.0680 N.am 27 LYS27 -0.2457 442 CA -13.8630 3.4030 -0.7320 C.3 27 LYS27 0.0878 443 C -15.2230 3.8660 -0.2240 C.2 27 LYS27 0.2187 444 O -15.5390 3.6570 0.9510 O.2 27 LYS27 -0.2778 445 CB -12.8280 4.5410 -0.7400 C.3 27 LYS27 -0.0289 446 CG -11.4260 4.0410 -1.1410 C.3 27 LYS27 -0.0496 447 CD -10.3400 5.1280 -1.1580 C.3 27 LYS27 -0.0278 448 CE -10.6610 6.2690 -2.1320 C.3 27 LYS27 0.1103 449 NZ -9.4960 7.0320 -2.5800 N.4 27 LYS27 -0.0749 450 H -13.3730 3.2040 -2.8210 H 27 LYS27 0.1312 451 HA -13.5270 2.6070 -0.0650 H 27 LYS27 0.0557 452 HB1 -12.7760 4.9970 0.2500 H 27 LYS27 0.0285 453 HB2 -13.1580 5.3230 -1.4260 H 27 LYS27 0.0285 454 HG1 -11.4660 3.5800 -2.1290 H 27 LYS27 0.0266 455 HG2 -11.1230 3.2480 -0.4560 H 27 LYS27 0.0266 456 HD1 -9.4000 4.6570 -1.4520 H 27 LYS27 0.0282 457 HD2 -10.1830 5.5240 -0.1540 H 27 LYS27 0.0282 458 HE1 -11.3750 6.9640 -1.6870 H 27 LYS27 0.0559 459 HE2 -11.1380 5.8620 -3.0250 H 27 LYS27 0.0559 460 HZ1 -9.8040 7.7350 -3.2870 H 27 LYS27 0.2742 461 HZ2 -8.8490 6.4220 -3.1290 H 27 LYS27 0.2742 462 HZ3 -9.0020 7.4890 -1.7930 H 27 LYS27 0.2742 463 N -16.0250 4.4760 -1.1040 N.am 28 GLU28 -0.2456 464 CA -17.3800 4.9220 -0.7450 C.3 28 GLU28 0.0883 465 C -18.3220 3.7510 -0.4640 C.2 28 GLU28 0.2187 466 O -19.0740 3.7770 0.5190 O.2 28 GLU28 -0.2778 467 CB -17.9790 5.7800 -1.8670 C.3 28 GLU28 -0.0193 468 CG -17.4950 7.2360 -1.8400 C.3 28 GLU28 0.0356 469 CD -17.9970 7.9850 -3.0880 C.2 28 GLU28 0.1760 470 OE1 -17.7450 7.5590 -4.2140 O.co2 28 GLU28 -0.6478 471 OE2 -18.6560 9.0090 -2.9530 O.co2 28 GLU28 -0.6478 472 H -15.6870 4.6370 -2.0530 H 28 GLU28 0.1312 473 HA -17.3010 5.5050 0.1750 H 28 GLU28 0.0557 474 HB1 -19.0670 5.8040 -1.7820 H 28 GLU28 0.0290 475 HB2 -17.7650 5.3130 -2.8280 H 28 GLU28 0.0290 476 HG1 -16.4120 7.3090 -1.7770 H 28 GLU28 0.0374 477 HG2 -17.8830 7.7360 -0.9520 H 28 GLU28 0.0374 478 N -18.2840 2.7400 -1.3330 N.am 29 VAL29 -0.2454 479 CA -19.0750 1.5180 -1.1230 C.3 29 VAL29 0.0901 480 C -18.7730 0.9030 0.2470 C.2 29 VAL29 0.2189 481 O -19.6980 0.5830 1.0020 O.2 29 VAL29 -0.2778 482 CB -18.8050 0.5330 -2.2860 C.3 29 VAL29 -0.0227 483 CG1 -19.4260 -0.8540 -2.0630 C.3 29 VAL29 -0.0608 484 CG2 -19.3020 1.1030 -3.6210 C.3 29 VAL29 -0.0608 485 H -17.6940 2.8160 -2.1610 H 29 VAL29 0.1312 486 HA -20.1240 1.8190 -1.1220 H 29 VAL29 0.0560 487 HB -17.7260 0.3940 -2.3690 H 29 VAL29 0.0315 488 HG11 -19.3120 -1.4820 -2.9460 H 29 VAL29 0.0233 489 HG12 -20.4910 -0.7790 -1.8400 H 29 VAL29 0.0233 490 HG13 -18.9360 -1.3730 -1.2420 H 29 VAL29 0.0233 491 HG21 -19.0880 0.4220 -4.4440 H 29 VAL29 0.0233 492 HG22 -18.8160 2.0470 -3.8490 H 29 VAL29 0.0233 493 HG23 -20.3780 1.2780 -3.6010 H 29 VAL29 0.0233 494 N -17.4860 0.7550 0.5660 N.am 30 LEU30 -0.2456 495 CA -17.0750 0.2160 1.8670 C.3 30 LEU30 0.0880 496 C -17.5470 1.0670 3.0360 C.2 30 LEU30 0.2187 497 O -17.9710 0.5310 4.0670 O.2 30 LEU30 -0.2778 498 CB -15.5420 0.0900 1.9090 C.3 30 LEU30 -0.0266 499 CG -14.9610 -0.9640 0.9500 C.3 30 LEU30 -0.0449 500 CD1 -13.4430 -0.7820 0.8360 C.3 30 LEU30 -0.0626 501 CD2 -15.2960 -2.3950 1.3950 C.3 30 LEU30 -0.0626 502 H -16.7710 1.0230 -0.1100 H 30 LEU30 0.1312 503 HA -17.5480 -0.7610 1.9650 H 30 LEU30 0.0557 504 HB1 -15.2120 -0.1480 2.9220 H 30 LEU30 0.0287 505 HB2 -15.1120 1.0650 1.6740 H 30 LEU30 0.0287 506 HG -15.3860 -0.8170 -0.0430 H 30 LEU30 0.0296 507 HD11 -13.0090 -1.5260 0.1740 H 30 LEU30 0.0232 508 HD12 -12.9610 -0.8830 1.8090 H 30 LEU30 0.0232 509 HD13 -13.1950 0.2020 0.4380 H 30 LEU30 0.0232 510 HD21 -14.8710 -3.1280 0.7090 H 30 LEU30 0.0232 511 HD22 -16.3710 -2.5650 1.4260 H 30 LEU30 0.0232 512 HD23 -14.8950 -2.6010 2.3880 H 30 LEU30 0.0232 513 N -17.4540 2.3920 2.8840 N.am 31 PHE31 -0.2453 514 CA -17.8780 3.3040 3.9480 C.3 31 PHE31 0.0917 515 C -19.3590 3.1020 4.2800 C.2 31 PHE31 0.2190 516 O -19.7300 3.0060 5.4610 O.2 31 PHE31 -0.2778 517 CB -17.6140 4.7490 3.4860 C.3 31 PHE31 -0.0036 518 CG -18.1600 5.7740 4.4470 C.ar 31 PHE31 -0.0454 519 CD1 -17.4510 6.1210 5.5930 C.ar 31 PHE31 -0.0585 520 CD2 -19.4070 6.3520 4.2230 C.ar 31 PHE31 -0.0585 521 CE1 -17.9820 7.0270 6.5020 C.ar 31 PHE31 -0.0615 522 CE2 -19.9440 7.2500 5.1340 C.ar 31 PHE31 -0.0615 523 CZ -19.2310 7.5900 6.2750 C.ar 31 PHE31 -0.0617 524 H -17.0820 2.7730 2.0140 H 31 PHE31 0.1312 525 HA -17.2900 3.0700 4.8360 H 31 PHE31 0.0560 526 HB1 -18.0560 4.9180 2.5050 H 31 PHE31 0.0333 527 HB2 -16.5420 4.9070 3.3630 H 31 PHE31 0.0333 528 HD1 -16.4870 5.6740 5.7860 H 31 PHE31 0.0620 529 HD2 -19.9790 6.0820 3.3460 H 31 PHE31 0.0620 530 HE1 -17.4270 7.2880 7.3900 H 31 PHE31 0.0618 531 HE2 -20.9220 7.6750 4.9580 H 31 PHE31 0.0618 532 HZ -19.6490 8.2880 6.9840 H 31 PHE31 0.0618 533 N -20.1970 3.0440 3.2410 N.am 32 TYR32 -0.2453 534 CA -21.6330 2.8680 3.4330 C.3 32 TYR32 0.0917 535 C -22.0130 1.4690 3.9170 C.2 32 TYR32 0.2190 536 O -22.9190 1.3310 4.7510 O.2 32 TYR32 -0.2778 537 CB -22.3650 3.1350 2.1070 C.3 32 TYR32 -0.0036 538 CG -22.3500 4.5790 1.6750 C.ar 32 TYR32 -0.0453 539 CD1 -22.9430 5.5660 2.4600 C.ar 32 TYR32 -0.0561 540 CD2 -21.8090 4.9380 0.4440 C.ar 32 TYR32 -0.0561 541 CE1 -22.9870 6.8850 2.0250 C.ar 32 TYR32 -0.0317 542 CE2 -21.8140 6.2610 0.0260 C.ar 32 TYR32 -0.0317 543 CZ -22.4170 7.2330 0.8080 C.ar 32 TYR32 0.0726 544 OH -22.4670 8.5380 0.3630 O.3 32 TYR32 -0.3598 545 H -19.8260 3.1240 2.2940 H 32 TYR32 0.1312 546 HA -21.9510 3.5800 4.1970 H 32 TYR32 0.0560 547 HB1 -23.4100 2.8300 2.1720 H 32 TYR32 0.0333 548 HB2 -21.9040 2.5210 1.3350 H 32 TYR32 0.0333 549 HD1 -23.3890 5.3110 3.4110 H 32 TYR32 0.0621 550 HD2 -21.3750 4.1850 -0.1970 H 32 TYR32 0.0621 551 HE1 -23.4620 7.6400 2.6330 H 32 TYR32 0.0643 552 HE2 -21.3680 6.5330 -0.9180 H 32 TYR32 0.0643 553 HH -21.6800 8.7300 -0.1300 H 32 TYR32 0.2173 554 N -21.3410 0.4370 3.4010 N.am 33 LEU33 -0.2456 555 CA -21.5690 -0.9210 3.9180 C.3 33 LEU33 0.0880 556 C -21.2220 -0.9780 5.4070 C.2 33 LEU33 0.2185 557 O -21.9610 -1.5620 6.2120 O.2 33 LEU33 -0.2778 558 CB -20.8170 -1.9470 3.0570 C.3 33 LEU33 -0.0266 559 CG -21.4740 -2.1350 1.6720 C.3 33 LEU33 -0.0449 560 CD1 -20.5080 -2.7330 0.6430 C.3 33 LEU33 -0.0626 561 CD2 -22.7360 -3.0070 1.7680 C.3 33 LEU33 -0.0626 562 H -20.6700 0.5900 2.6480 H 33 LEU33 0.1312 563 HA -22.6430 -1.0990 3.8500 H 33 LEU33 0.0557 564 HB1 -20.7850 -2.9090 3.5690 H 33 LEU33 0.0287 565 HB2 -19.7820 -1.6180 2.9450 H 33 LEU33 0.0287 566 HG -21.7630 -1.1520 1.2980 H 33 LEU33 0.0296 567 HD11 -20.9060 -2.6260 -0.3660 H 33 LEU33 0.0232 568 HD12 -20.3540 -3.7970 0.8080 H 33 LEU33 0.0232 569 HD13 -19.5380 -2.2390 0.6800 H 33 LEU33 0.0232 570 HD21 -23.2610 -3.0490 0.8140 H 33 LEU33 0.0232 571 HD22 -23.4330 -2.6260 2.5090 H 33 LEU33 0.0232 572 HD23 -22.4860 -4.0290 2.0540 H 33 LEU33 0.0232 573 N -20.1080 -0.3430 5.7650 N.am 34 GLY34 -0.2485 574 CA -19.6980 -0.2210 7.1640 C.3 34 GLY34 0.0765 575 C -20.7400 0.4870 8.0130 C.2 34 GLY34 0.2155 576 O -21.0800 0.0250 9.1030 O.2 34 GLY34 -0.2781 577 H -19.5220 0.0720 5.0410 H 34 GLY34 0.1309 578 HA1 -18.7670 0.3450 7.1760 H 34 GLY34 0.0521 579 HA2 -19.5150 -1.2230 7.5530 H 34 GLY34 0.0521 580 N -21.2430 1.6120 7.5130 N.am 35 GLN35 -0.2459 581 CA -22.3160 2.3440 8.1930 C.3 35 GLN35 0.0882 582 C -23.5480 1.4650 8.4340 C.2 35 GLN35 0.2187 583 O -24.1450 1.4920 9.5150 O.2 35 GLN35 -0.2778 584 CB -22.6560 3.5630 7.3220 C.3 35 GLN35 -0.0210 585 CG -23.6710 4.5260 7.9560 C.3 35 GLN35 0.0225 586 CD -23.8990 5.7430 7.0470 C.2 35 GLN35 0.1981 587 OE1 -23.1500 6.0040 6.1160 O.2 35 GLN35 -0.2798 588 NE2 -24.9820 6.4630 7.3710 N.am 35 GLN35 -0.2724 589 H -20.8730 1.9740 6.6340 H 35 GLN35 0.1312 590 HA -21.9200 2.6600 9.1590 H 35 GLN35 0.0557 591 HB1 -23.0280 3.2310 6.3520 H 35 GLN35 0.0289 592 HB2 -21.7290 4.1020 7.1150 H 35 GLN35 0.0289 593 HG1 -23.3160 4.8780 8.9240 H 35 GLN35 0.0356 594 HG2 -24.6280 4.0270 8.1160 H 35 GLN35 0.0356 595 HE21 -25.2210 7.2440 6.7940 H 35 GLN35 0.1266 596 HE22 -25.5550 6.2360 8.1560 H 35 GLN35 0.1266 597 N -23.9030 0.6780 7.4240 N.am 36 TYR36 -0.2453 598 CA -25.0380 -0.2230 7.4940 C.3 36 TYR36 0.0917 599 C -24.8380 -1.2700 8.6010 C.2 36 TYR36 0.2190 600 O -25.7300 -1.4970 9.4240 O.2 36 TYR36 -0.2778 601 CB -25.2020 -0.8610 6.1020 C.3 36 TYR36 -0.0036 602 CG -26.3610 -1.8140 5.9980 C.ar 36 TYR36 -0.0453 603 CD1 -27.6170 -1.3580 5.6100 C.ar 36 TYR36 -0.0561 604 CD2 -26.1780 -3.1740 6.2310 C.ar 36 TYR36 -0.0561 605 CE1 -28.6640 -2.2530 5.4380 C.ar 36 TYR36 -0.0317 606 CE2 -27.2290 -4.0650 6.0630 C.ar 36 TYR36 -0.0317 607 CZ -28.4650 -3.6070 5.6400 C.ar 36 TYR36 0.0726 608 OH -29.5240 -4.4740 5.4730 O.3 36 TYR36 -0.3598 609 H -23.3550 0.7090 6.5640 H 36 TYR36 0.1312 610 HA -25.9140 0.3750 7.7490 H 36 TYR36 0.0560 611 HB1 -24.2960 -1.3910 5.8160 H 36 TYR36 0.0333 612 HB2 -25.3270 -0.0760 5.3550 H 36 TYR36 0.0333 613 HD1 -27.7760 -0.3070 5.4150 H 36 TYR36 0.0621 614 HD2 -25.2120 -3.5460 6.5420 H 36 TYR36 0.0621 615 HE1 -29.6410 -1.9110 5.1420 H 36 TYR36 0.0643 616 HE2 -27.0900 -5.1140 6.2760 H 36 TYR36 0.0643 617 HH -29.2640 -5.3700 5.6910 H 36 TYR36 0.2173 618 N -23.6600 -1.8880 8.6180 N.am 37 ILE37 -0.2454 619 CA -23.3080 -2.8990 9.6250 C.3 37 ILE37 0.0903 620 C -23.3650 -2.3530 11.0470 C.2 37 ILE37 0.2189 621 O -23.9430 -2.9850 11.9390 O.2 37 ILE37 -0.2778 622 CB -21.9250 -3.4980 9.2670 C.3 37 ILE37 -0.0201 623 CG1 -21.9960 -4.3000 7.9490 C.3 37 ILE37 -0.0514 624 CG2 -21.3360 -4.3750 10.3920 C.3 37 ILE37 -0.0605 625 CD1 -20.6220 -4.5470 7.3100 C.3 37 ILE37 -0.0650 626 H -22.9730 -1.6500 7.9030 H 37 ILE37 0.1312 627 HA -24.0700 -3.6760 9.5590 H 37 ILE37 0.0560 628 HB -21.2480 -2.6570 9.1120 H 37 ILE37 0.0318 629 HG11 -22.6110 -3.7760 7.2180 H 37 ILE37 0.0266 630 HG12 -22.4980 -5.2520 8.1240 H 37 ILE37 0.0266 631 HG21 -20.3750 -4.7990 10.1040 H 37 ILE37 0.0233 632 HG22 -22.0000 -5.2040 10.6370 H 37 ILE37 0.0233 633 HG23 -21.1630 -3.8040 11.3040 H 37 ILE37 0.0233 634 HD11 -20.7290 -5.0640 6.3570 H 37 ILE37 0.0230 635 HD12 -19.9820 -5.1590 7.9450 H 37 ILE37 0.0230 636 HD13 -20.1060 -3.6060 7.1170 H 37 ILE37 0.0230 637 N -22.7850 -1.1680 11.2540 N.am 38 MET38 -0.2456 638 CA -22.7230 -0.5770 12.5960 C.3 38 MET38 0.0886 639 C -24.0870 -0.0600 13.0720 C.2 38 MET38 0.2188 640 O -24.4950 -0.3360 14.2060 O.2 38 MET38 -0.2778 641 CB -21.6490 0.5230 12.6090 C.3 38 MET38 -0.0199 642 CG -20.2410 -0.0090 12.2890 C.3 38 MET38 -0.0047 643 SD -19.7140 -1.2820 13.4520 S.3 38 MET38 -0.1641 644 CE -18.5600 -0.3190 14.4450 C.3 38 MET38 -0.0181 645 H -22.3780 -0.6650 10.4660 H 38 MET38 0.1312 646 HA -22.4310 -1.3770 13.2760 H 38 MET38 0.0557 647 HB1 -21.6270 1.0050 13.5870 H 38 MET38 0.0293 648 HB2 -21.9120 1.2980 11.8870 H 38 MET38 0.0293 649 HG1 -19.5110 0.8000 12.2680 H 38 MET38 0.0377 650 HG2 -20.2180 -0.4490 11.2930 H 38 MET38 0.0377 651 HE1 -18.3820 -0.8110 15.4010 H 38 MET38 0.0340 652 HE2 -18.9760 0.6670 14.6530 H 38 MET38 0.0340 653 HE3 -17.6150 -0.1930 13.9170 H 38 MET38 0.0340 654 N -24.7920 0.6690 12.2100 N.am 39 THR39 -0.2434 655 CA -26.0890 1.2410 12.5970 C.3 39 THR39 0.1135 656 C -27.1820 0.1890 12.7430 C.2 39 THR39 0.2212 657 O -28.1720 0.4250 13.4180 O.2 39 THR39 -0.2777 658 CB -26.5420 2.3140 11.5860 C.3 39 THR39 0.0763 659 OG1 -26.7280 1.7070 10.3160 O.3 39 THR39 -0.3900 660 CG2 -25.5520 3.4920 11.5260 C.3 39 THR39 -0.0370 661 H -24.4280 0.8320 11.2710 H 39 THR39 0.1313 662 HA -25.9540 1.7070 13.5740 H 39 THR39 0.0583 663 HB -27.5080 2.7030 11.9290 H 39 THR39 0.0611 664 HG1 -26.9510 2.3580 9.6580 H 39 THR39 0.2098 665 HG21 -25.9020 4.2860 10.8670 H 39 THR39 0.0255 666 HG22 -24.5680 3.1820 11.1790 H 39 THR39 0.0255 667 HG23 -25.4220 3.9310 12.5150 H 39 THR39 0.0255 668 N -26.9850 -0.9800 12.1400 N.am 40 LYS40 -0.2456 669 CA -27.9050 -2.0930 12.3580 C.3 40 LYS40 0.0878 670 C -27.4160 -3.1020 13.3980 C.2 40 LYS40 0.2187 671 O -28.1140 -4.0770 13.6770 O.2 40 LYS40 -0.2778 672 CB -28.1770 -2.7620 11.0210 C.3 40 LYS40 -0.0289 673 CG -28.9180 -1.8070 10.0750 C.3 40 LYS40 -0.0496 674 CD -29.2980 -2.5080 8.7800 C.3 40 LYS40 -0.0278 675 CE -30.4290 -3.5250 8.9670 C.3 40 LYS40 0.1103 676 NZ -30.3170 -4.5810 7.9850 N.4 40 LYS40 -0.0749 677 H -26.1840 -1.1000 11.5200 H 40 LYS40 0.1312 678 HA -28.8530 -1.7070 12.7380 H 40 LYS40 0.0557 679 HB1 -28.7640 -3.6610 11.1910 H 40 LYS40 0.0285 680 HB2 -27.2430 -3.0900 10.5660 H 40 LYS40 0.0285 681 HG1 -28.2810 -0.9530 9.8420 H 40 LYS40 0.0266 682 HG2 -29.8100 -1.4040 10.5560 H 40 LYS40 0.0266 683 HD1 -28.4020 -2.9980 8.3990 H 40 LYS40 0.0282 684 HD2 -29.5920 -1.7690 8.0340 H 40 LYS40 0.0282 685 HE1 -31.4060 -3.0510 8.8660 H 40 LYS40 0.0559 686 HE2 -30.4040 -4.0030 9.9450 H 40 LYS40 0.0559 687 HZ1 -31.0380 -5.3260 8.0950 H 40 LYS40 0.2742 688 HZ2 -29.4140 -5.0960 8.0630 H 40 LYS40 0.2742 689 HZ3 -30.3820 -4.2400 7.0090 H 40 LYS40 0.2742 690 N -26.2320 -2.8550 13.9630 N.am 41 ARG41 -0.2457 691 CA -25.5980 -3.7430 14.9540 C.3 41 ARG41 0.0879 692 C -25.5820 -5.1980 14.4830 C.2 41 ARG41 0.2187 693 O -26.0510 -6.0980 15.1780 O.2 41 ARG41 -0.2778 694 CB -26.1760 -3.5930 16.3710 C.3 41 ARG41 -0.0258 695 CG -25.1730 -4.1010 17.4240 C.3 41 ARG41 -0.0154 696 CD -25.6830 -4.0310 18.8700 C.3 41 ARG41 0.1045 697 NE -24.5540 -4.0450 19.8000 N.pl3 41 ARG41 -0.4450 698 CZ -23.7500 -3.0170 20.0290 C.cat 41 ARG41 0.5062 699 NH1 -23.9530 -1.8620 19.4600 N.pl3 41 ARG41 -0.4573 700 NH2 -22.7410 -3.1540 20.8280 N.pl3 41 ARG41 -0.4573 701 H -25.7380 -2.0040 13.6940 H 41 ARG41 0.1312 702 HA -24.5600 -3.4100 14.9610 H 41 ARG41 0.0557 703 HB1 -27.1300 -4.1160 16.4540 H 41 ARG41 0.0286 704 HB2 -26.3860 -2.5400 16.5600 H 41 ARG41 0.0286 705 HG1 -24.2630 -3.5100 17.3270 H 41 ARG41 0.0299 706 HG2 -24.8720 -5.1280 17.2100 H 41 ARG41 0.0299 707 HD1 -26.3060 -4.8970 19.1050 H 41 ARG41 0.0711 708 HD2 -26.2790 -3.1380 19.0620 H 41 ARG41 0.0711 709 HE -24.2780 -4.8480 20.3470 H 41 ARG41 0.3153 710 HH11 -23.3040 -1.1280 19.6250 H 41 ARG41 0.3114 711 HH12 -24.7420 -1.7500 18.8680 H 41 ARG41 0.3114 712 HH21 -22.0830 -2.4420 21.0280 H 41 ARG41 0.3114 713 HH22 -22.6170 -4.0600 21.2680 H 41 ARG41 0.3114 714 N -25.0470 -5.4180 13.2860 N.am 42 LEU42 -0.2456 715 CA -24.9810 -6.7750 12.7440 C.3 42 LEU42 0.0880 716 C -23.7680 -7.5580 13.2570 C.2 42 LEU42 0.2187 717 O -23.7070 -8.7870 13.1130 O.2 42 LEU42 -0.2778 718 CB -24.9280 -6.7170 11.2050 C.3 42 LEU42 -0.0266 719 CG -26.0490 -5.8880 10.5510 C.3 42 LEU42 -0.0449 720 CD1 -25.9100 -5.9010 9.0240 C.3 42 LEU42 -0.0626 721 CD2 -27.4470 -6.3770 10.9540 C.3 42 LEU42 -0.0626 722 H -24.6810 -4.6360 12.7420 H 42 LEU42 0.1312 723 HA -25.8770 -7.3150 13.0560 H 42 LEU42 0.0557 724 HB1 -24.9580 -7.7320 10.8060 H 42 LEU42 0.0287 725 HB2 -23.9720 -6.2950 10.8950 H 42 LEU42 0.0287 726 HG -25.9410 -4.8550 10.8800 H 42 LEU42 0.0296 727 HD11 -26.6450 -5.2370 8.5720 H 42 LEU42 0.0232 728 HD12 -26.0740 -6.9010 8.6200 H 42 LEU42 0.0232 729 HD13 -24.9210 -5.5720 8.7040 H 42 LEU42 0.0232 730 HD21 -28.2220 -5.8260 10.4220 H 42 LEU42 0.0232 731 HD22 -27.6250 -6.2440 12.0210 H 42 LEU42 0.0232 732 HD23 -27.5750 -7.4340 10.7190 H 42 LEU42 0.0232 733 N -22.8020 -6.8590 13.8520 N.am 43 TYR43 -0.2453 734 CA -21.6300 -7.5340 14.4180 C.3 43 TYR43 0.0917 735 C -21.9920 -8.2380 15.7280 C.2 43 TYR43 0.2190 736 O -22.9090 -7.8170 16.4410 O.2 43 TYR43 -0.2778 737 CB -20.4970 -6.5240 14.6350 C.3 43 TYR43 -0.0036 738 CG -20.8680 -5.3520 15.5130 C.ar 43 TYR43 -0.0453 739 CD1 -20.7510 -5.4330 16.9000 C.ar 43 TYR43 -0.0561 740 CD2 -21.2870 -4.1520 14.9450 C.ar 43 TYR43 -0.0561 741 CE1 -21.0330 -4.3320 17.7020 C.ar 43 TYR43 -0.0317 742 CE2 -21.5540 -3.0490 15.7430 C.ar 43 TYR43 -0.0317 743 CZ -21.4120 -3.1310 17.1190 C.ar 43 TYR43 0.0726 744 OH -21.6230 -2.0030 17.8870 O.3 43 TYR43 -0.3598 745 H -22.8790 -5.8440 13.9140 H 43 TYR43 0.1312 746 HA -21.3080 -8.2840 13.7050 H 43 TYR43 0.0560 747 HB1 -20.2090 -6.1500 13.6570 H 43 TYR43 0.0333 748 HB2 -19.6150 -7.0180 15.0470 H 43 TYR43 0.0333 749 HD1 -20.4290 -6.3540 17.3640 H 43 TYR43 0.0621 750 HD2 -21.3850 -4.0660 13.8720 H 43 TYR43 0.0621 751 HE1 -20.9240 -4.4070 18.7760 H 43 TYR43 0.0643 752 HE2 -21.8550 -2.1150 15.2950 H 43 TYR43 0.0643 753 HH -21.5050 -1.2400 17.3370 H 43 TYR43 0.2173 754 N -21.2670 -9.3070 16.0350 N.am 44 ASP44 -0.2451 755 CA -21.4670 -10.0580 17.2700 C.3 44 ASP44 0.0974 756 C -20.8820 -9.3020 18.4660 C.2 44 ASP44 0.2192 757 O -19.8110 -8.7170 18.3660 O.2 44 ASP44 -0.2778 758 CB -20.8090 -11.4430 17.1620 C.3 44 ASP44 0.0576 759 CG -21.1080 -12.3530 18.3760 C.2 44 ASP44 0.1780 760 OD1 -20.2270 -13.0700 18.8500 O.co2 44 ASP44 -0.6478 761 OD2 -22.2300 -12.3570 18.8720 O.co2 44 ASP44 -0.6478 762 H -20.5440 -9.6150 15.3840 H 44 ASP44 0.1312 763 HA -22.5450 -10.1670 17.4090 H 44 ASP44 0.0563 764 HB1 -19.7340 -11.3510 17.0560 H 44 ASP44 0.0394 765 HB2 -21.1630 -11.9390 16.2650 H 44 ASP44 0.0394 766 N -21.5870 -9.3030 19.5950 N.am 45 GLU45 -0.2456 767 CA -21.1200 -8.5480 20.7580 C.3 45 GLU45 0.0883 768 C -19.8680 -9.1610 21.3930 C.2 45 GLU45 0.2187 769 O -18.9860 -8.4370 21.8540 O.2 45 GLU45 -0.2778 770 CB -22.2710 -8.4770 21.7770 C.3 45 GLU45 -0.0193 771 CG -22.1280 -7.3190 22.7770 C.3 45 GLU45 0.0356 772 CD -22.3720 -5.9780 22.0720 C.2 45 GLU45 0.1760 773 OE1 -21.4230 -5.3610 21.6060 O.co2 45 GLU45 -0.6478 774 OE2 -23.5160 -5.5440 21.9830 O.co2 45 GLU45 -0.6478 775 H -22.4570 -9.8330 19.6500 H 45 GLU45 0.1312 776 HA -20.8690 -7.5480 20.3990 H 45 GLU45 0.0557 777 HB1 -22.3520 -9.4220 22.3150 H 45 GLU45 0.0290 778 HB2 -23.2180 -8.3630 21.2470 H 45 GLU45 0.0290 779 HG1 -21.1410 -7.3100 23.2380 H 45 GLU45 0.0374 780 HG2 -22.8590 -7.4180 23.5790 H 45 GLU45 0.0374 781 N -19.7890 -10.4900 21.3950 N.am 46 LYS46 -0.2457 782 CA -18.6510 -11.1950 21.9800 C.3 46 LYS46 0.0878 783 C -17.4480 -11.2580 21.0420 C.2 46 LYS46 0.2187 784 O -16.3130 -11.0140 21.4640 O.2 46 LYS46 -0.2778 785 CB -19.1280 -12.6260 22.2860 C.3 46 LYS46 -0.0289 786 CG -20.3030 -12.6800 23.2810 C.3 46 LYS46 -0.0496 787 CD -21.1660 -13.9440 23.1400 C.3 46 LYS46 -0.0278 788 CE -22.2310 -13.8400 22.0330 C.3 46 LYS46 0.1103 789 NZ -21.7110 -13.9380 20.6740 N.4 46 LYS46 -0.0749 790 H -20.5450 -11.0320 20.9760 H 46 LYS46 0.1312 791 HA -18.3580 -10.6770 22.8960 H 46 LYS46 0.0557 792 HB1 -18.3040 -13.2250 22.6760 H 46 LYS46 0.0285 793 HB2 -19.4170 -13.0990 21.3490 H 46 LYS46 0.0285 794 HG1 -20.9490 -11.8060 23.1940 H 46 LYS46 0.0266 795 HG2 -19.8920 -12.6290 24.2910 H 46 LYS46 0.0266 796 HD1 -21.6880 -14.0970 24.0860 H 46 LYS46 0.0282 797 HD2 -20.5400 -14.8260 23.0000 H 46 LYS46 0.0282 798 HE1 -22.7750 -12.8970 22.1120 H 46 LYS46 0.0559 799 HE2 -22.9660 -14.6370 22.1530 H 46 LYS46 0.0559 800 HZ1 -22.4560 -13.7930 19.9580 H 46 LYS46 0.2742 801 HZ2 -21.2020 -14.8170 20.4830 H 46 LYS46 0.2742 802 HZ3 -21.0720 -13.1440 20.4390 H 46 LYS46 0.2742 803 N -17.6970 -11.5800 19.7730 N.am 47 GLN47 -0.2456 804 CA -16.6450 -11.6190 18.7630 C.3 47 GLN47 0.0882 805 C -16.9020 -10.5220 17.7390 C.2 47 GLN47 0.2187 806 O -17.5410 -10.7570 16.7100 O.2 47 GLN47 -0.2778 807 CB -16.6060 -12.9790 18.0540 C.3 47 GLN47 -0.0210 808 CG -16.1180 -14.1080 18.9700 C.3 47 GLN47 0.0225 809 CD -15.5600 -15.2600 18.1250 C.2 47 GLN47 0.1981 810 OE1 -14.4720 -15.1680 17.5700 O.2 47 GLN47 -0.2798 811 NE2 -16.3570 -16.3350 18.0590 N.am 47 GLN47 -0.2724 812 H -18.6530 -11.8060 19.4990 H 47 GLN47 0.1312 813 HA -15.6780 -11.4200 19.2280 H 47 GLN47 0.0557 814 HB1 -15.9330 -12.8940 17.1980 H 47 GLN47 0.0289 815 HB2 -17.5870 -13.2280 17.6450 H 47 GLN47 0.0289 816 HG1 -16.9210 -14.4620 19.6180 H 47 GLN47 0.0356 817 HG2 -15.3120 -13.7590 19.6150 H 47 GLN47 0.0356 818 HE21 -16.0600 -17.1320 17.5340 H 47 GLN47 0.1266 819 HE22 -17.2430 -16.3570 18.5210 H 47 GLN47 0.1266 820 N -16.4000 -9.3280 18.0300 N.am 48 GLN48 -0.2456 821 CA -16.8470 -8.1220 17.3300 C.3 48 GLN48 0.0882 822 C -16.3330 -7.9660 15.9020 C.2 48 GLN48 0.2187 823 O -16.7590 -7.0480 15.1980 O.2 48 GLN48 -0.2778 824 CB -16.5500 -6.8820 18.1880 C.3 48 GLN48 -0.0210 825 CG -17.4790 -6.7900 19.4130 C.3 48 GLN48 0.0225 826 CD -17.2420 -5.4960 20.2010 C.2 48 GLN48 0.1981 827 OE1 -16.1930 -4.8700 20.1140 O.2 48 GLN48 -0.2798 828 NE2 -18.2820 -5.1350 20.9690 N.am 48 GLN48 -0.2724 829 H -15.6880 -9.2490 18.7560 H 48 GLN48 0.1312 830 HA -17.9250 -8.2020 17.2110 H 48 GLN48 0.0557 831 HB1 -16.6780 -5.9790 17.5910 H 48 GLN48 0.0289 832 HB2 -15.5060 -6.8910 18.5020 H 48 GLN48 0.0289 833 HG1 -17.3290 -7.6370 20.0810 H 48 GLN48 0.0356 834 HG2 -18.5220 -6.8000 19.1000 H 48 GLN48 0.0356 835 HE21 -18.2270 -4.3110 21.5290 H 48 GLN48 0.1266 836 HE22 -19.1310 -5.6670 21.0110 H 48 GLN48 0.1266 837 N -15.4370 -8.8510 15.4760 N.am 49 HIS49 -0.2453 838 CA -14.9960 -8.8750 14.0780 C.3 49 HIS49 0.0932 839 C -15.9520 -9.7010 13.2030 C.2 49 HIS49 0.2190 840 O -15.8570 -9.6690 11.9750 O.2 49 HIS49 -0.2778 841 CB -13.5410 -9.3450 13.9670 C.3 49 HIS49 0.0146 842 CG -13.3580 -10.7340 14.5340 C.ar 49 HIS49 0.0551 843 ND1 -12.8720 -10.9970 15.7690 N.ar 49 HIS49 -0.2469 844 CD2 -13.5800 -11.9580 13.8850 C.ar 49 HIS49 0.0047 845 CE1 -12.9790 -12.3300 15.9280 C.ar 49 HIS49 0.0737 846 NE2 -13.3210 -12.9380 14.7800 N.ar 49 HIS49 -0.2539 847 H -15.0490 -9.5260 16.1340 H 49 HIS49 0.1312 848 HA -15.0450 -7.8500 13.7040 H 49 HIS49 0.0561 849 HB1 -12.9040 -8.6480 14.5090 H 49 HIS49 0.0348 850 HB2 -13.2160 -9.3370 12.9250 H 49 HIS49 0.0348 851 HD2 -13.9610 -12.0810 12.8810 H 49 HIS49 0.0764 852 HE1 -12.8050 -12.8580 16.8580 H 49 HIS49 0.0963 853 HE2 -13.4700 -13.9010 14.6510 H 49 HIS49 0.1339 854 N -16.8630 -10.4410 13.8370 N.am 50 ILE50 -0.2454 855 CA -17.8040 -11.2880 13.0870 C.3 50 ILE50 0.0903 856 C -19.1280 -10.5730 12.8260 C.2 50 ILE50 0.2189 857 O -19.8050 -10.1290 13.7620 O.2 50 ILE50 -0.2778 858 CB -18.0900 -12.5870 13.8820 C.3 50 ILE50 -0.0201 859 CG1 -16.8120 -13.3820 14.2100 C.3 50 ILE50 -0.0514 860 CG2 -19.1220 -13.4950 13.1810 C.3 50 ILE50 -0.0605 861 CD1 -16.1130 -13.9690 12.9740 C.3 50 ILE50 -0.0650 862 H -16.9080 -10.4190 14.8560 H 50 ILE50 0.1312 863 HA -17.3580 -11.5470 12.1250 H 50 ILE50 0.0560 864 HB -18.5250 -12.2970 14.8400 H 50 ILE50 0.0318 865 HG11 -17.0660 -14.1980 14.8870 H 50 ILE50 0.0266 866 HG12 -16.1190 -12.7530 14.7670 H 50 ILE50 0.0266 867 HG21 -19.2470 -14.4340 13.7190 H 50 ILE50 0.0233 868 HG22 -18.8190 -13.7310 12.1610 H 50 ILE50 0.0233 869 HG23 -20.1040 -13.0240 13.1270 H 50 ILE50 0.0233 870 HD11 -15.1970 -14.4870 13.2590 H 50 ILE50 0.0230 871 HD12 -15.8500 -13.1980 12.2510 H 50 ILE50 0.0230 872 HD13 -16.7490 -14.6950 12.4670 H 50 ILE50 0.0230 873 N -19.4830 -10.4670 11.5480 N.am 51 VAL51 -0.2454 874 CA -20.7780 -9.9310 11.1390 C.3 51 VAL51 0.0901 875 C -21.7470 -11.0810 10.8580 C.2 51 VAL51 0.2189 876 O -21.4660 -11.9320 10.0140 O.2 51 VAL51 -0.2778 877 CB -20.6120 -9.0210 9.9030 C.3 51 VAL51 -0.0227 878 CG1 -21.9620 -8.4900 9.3850 C.3 51 VAL51 -0.0608 879 CG2 -19.6850 -7.8390 10.2170 C.3 51 VAL51 -0.0608 880 H -18.8270 -10.7710 10.8280 H 51 VAL51 0.1312 881 HA -21.1920 -9.3400 11.9510 H 51 VAL51 0.0560 882 HB -20.1500 -9.6070 9.1080 H 51 VAL51 0.0315 883 HG11 -21.8220 -7.7950 8.5560 H 51 VAL51 0.0233 884 HG12 -22.4990 -7.9610 10.1720 H 51 VAL51 0.0233 885 HG13 -22.6030 -9.2950 9.0270 H 51 VAL51 0.0233 886 HG21 -19.5370 -7.2090 9.3400 H 51 VAL51 0.0233 887 HG22 -18.7060 -8.1840 10.5430 H 51 VAL51 0.0233 888 HG23 -20.1010 -7.2190 11.0110 H 51 VAL51 0.0233 889 N -22.8700 -11.1050 11.5740 N.am 52 TYR52 -0.2453 890 CA -23.9480 -12.0620 11.2930 C.3 52 TYR52 0.0917 891 C -25.0120 -11.3830 10.4430 C.2 52 TYR52 0.2190 892 O -25.6790 -10.4540 10.9020 O.2 52 TYR52 -0.2778 893 CB -24.5600 -12.5680 12.6090 C.3 52 TYR52 -0.0036 894 CG -23.6890 -13.6080 13.2610 C.ar 52 TYR52 -0.0453 895 CD1 -23.6620 -14.9060 12.7570 C.ar 52 TYR52 -0.0561 896 CD2 -22.9110 -13.2990 14.3720 C.ar 52 TYR52 -0.0561 897 CE1 -22.8540 -15.8750 13.3400 C.ar 52 TYR52 -0.0317 898 CE2 -22.1170 -14.2730 14.9660 C.ar 52 TYR52 -0.0317 899 CZ -22.0810 -15.5570 14.4450 C.ar 52 TYR52 0.0726 900 OH -21.2760 -16.5150 15.0240 O.3 52 TYR52 -0.3598 901 H -22.9850 -10.4400 12.3390 H 52 TYR52 0.1312 902 HA -23.5440 -12.9030 10.7260 H 52 TYR52 0.0560 903 HB1 -25.5340 -13.0250 12.4250 H 52 TYR52 0.0333 904 HB2 -24.7360 -11.7370 13.2940 H 52 TYR52 0.0333 905 HD1 -24.2640 -15.1620 11.8970 H 52 TYR52 0.0621 906 HD2 -22.9250 -12.2970 14.7790 H 52 TYR52 0.0621 907 HE1 -22.8270 -16.8760 12.9380 H 52 TYR52 0.0643 908 HE2 -21.5180 -14.0390 15.8330 H 52 TYR52 0.0643 909 HH -20.7620 -16.1150 15.7130 H 52 TYR52 0.2173 910 N -25.1530 -11.8560 9.2080 N.am 53 CYS53 -0.2449 911 CA -26.0230 -11.2080 8.2260 C.3 53 CYS53 0.0965 912 C -27.1730 -12.0690 7.6830 C.2 53 CYS53 0.2195 913 O -27.9090 -11.6220 6.8080 O.2 53 CYS53 -0.2778 914 CB -25.1450 -10.6970 7.0750 C.3 53 CYS53 0.0147 915 SG -24.1700 -11.9920 6.2630 S.3 53 CYS53 -0.1762 916 H -24.6400 -12.6950 8.9380 H 53 CYS53 0.1312 917 HA -26.5040 -10.3460 8.6910 H 53 CYS53 0.0565 918 HB1 -24.4570 -9.9410 7.4530 H 53 CYS53 0.0394 919 HB2 -25.7580 -10.1930 6.3270 H 53 CYS53 0.0394 920 HG -23.8610 -11.6090 5.0220 H 53 CYS53 0.1017 921 N -27.3490 -13.2790 8.2190 N.am 54 SER54 -0.2436 922 CA -28.5410 -14.0860 7.9290 C.3 54 SER54 0.1109 923 C -29.7920 -13.2630 8.1950 C.2 54 SER54 0.2209 924 O -29.8030 -12.4510 9.1210 O.2 54 SER54 -0.2777 925 CB -28.5560 -15.3340 8.8230 C.3 54 SER54 0.0681 926 OG -27.4000 -16.1320 8.5920 O.3 54 SER54 -0.3930 927 H -26.6370 -13.6520 8.8460 H 54 SER54 0.1312 928 HA -28.4940 -14.3560 6.8730 H 54 SER54 0.0580 929 HB1 -29.4580 -15.9200 8.6100 H 54 SER54 0.0577 930 HB2 -28.5940 -15.0220 9.8730 H 54 SER54 0.0577 931 HG -27.3920 -16.8990 9.1590 H 54 SER54 0.2095 932 N -30.8380 -13.4810 7.3930 N.am 55 ASN55 -0.2451 933 CA -32.1440 -12.8250 7.5990 C.3 55 ASN55 0.0957 934 C -32.0830 -11.3030 7.4950 C.2 55 ASN55 0.2191 935 O -32.8580 -10.5790 8.1310 O.2 55 ASN55 -0.2778 936 CB -32.7690 -13.2170 8.9530 C.3 55 ASN55 0.0446 937 CG -32.7150 -14.7310 9.1960 C.2 55 ASN55 0.2000 938 OD1 -33.4360 -15.5110 8.5890 O.2 55 ASN55 -0.2797 939 ND2 -31.8210 -15.1000 10.1270 N.am 55 ASN55 -0.2723 940 H -30.7300 -14.1250 6.6090 H 55 ASN55 0.1312 941 HA -32.7730 -13.1800 6.7820 H 55 ASN55 0.0562 942 HB1 -33.8130 -12.9070 8.9910 H 55 ASN55 0.0375 943 HB2 -32.2620 -12.7120 9.7770 H 55 ASN55 0.0375 944 HD21 -31.7330 -16.0660 10.3650 H 55 ASN55 0.1266 945 HD22 -31.2470 -14.4170 10.5780 H 55 ASN55 0.1266 946 N -31.1390 -10.8320 6.6910 N.am 56 ASP56 -0.2451 947 CA -30.9640 -9.4140 6.4430 C.3 56 ASP56 0.0974 948 C -30.6150 -9.2680 4.9720 C.2 56 ASP56 0.2192 949 O -30.0260 -10.1800 4.3780 O.2 56 ASP56 -0.2778 950 CB -29.8720 -8.7940 7.3290 C.3 56 ASP56 0.0576 951 CG -29.8790 -7.2550 7.2050 C.2 56 ASP56 0.1780 952 OD1 -30.9240 -6.6740 6.9170 O.co2 56 ASP56 -0.6478 953 OD2 -28.8520 -6.6100 7.3950 O.co2 56 ASP56 -0.6478 954 H -30.5130 -11.4920 6.2300 H 56 ASP56 0.1312 955 HA -31.9290 -8.9300 6.6030 H 56 ASP56 0.0563 956 HB1 -28.8850 -9.1760 7.0670 H 56 ASP56 0.0394 957 HB2 -30.0500 -9.0460 8.3730 H 56 ASP56 0.0394 958 N -30.9820 -8.1260 4.3840 N.am 57 LEU57 -0.2456 959 CA -30.6280 -7.8210 3.0010 C.3 57 LEU57 0.0880 960 C -29.1490 -8.0920 2.7080 C.2 57 LEU57 0.2187 961 O -28.8170 -8.6110 1.6510 O.2 57 LEU57 -0.2778 962 CB -30.9590 -6.3410 2.7570 C.3 57 LEU57 -0.0266 963 CG -30.4720 -5.7750 1.4110 C.3 57 LEU57 -0.0449 964 CD1 -30.9690 -6.6220 0.2320 C.3 57 LEU57 -0.0626 965 CD2 -30.8650 -4.2970 1.2880 C.3 57 LEU57 -0.0626 966 H -31.5260 -7.4470 4.9170 H 57 LEU57 0.1312 967 HA -31.2310 -8.4740 2.3760 H 57 LEU57 0.0557 968 HB1 -30.5220 -5.7490 3.5620 H 57 LEU57 0.0287 969 HB2 -32.0380 -6.2110 2.8440 H 57 LEU57 0.0287 970 HG -29.3830 -5.8080 1.3960 H 57 LEU57 0.0296 971 HD11 -30.7800 -6.1360 -0.7250 H 57 LEU57 0.0232 972 HD12 -32.0280 -6.8460 0.3350 H 57 LEU57 0.0232 973 HD13 -30.4670 -7.5870 0.1990 H 57 LEU57 0.0232 974 HD21 -30.4490 -3.8550 0.3840 H 57 LEU57 0.0232 975 HD22 -30.4750 -3.7240 2.1300 H 57 LEU57 0.0232 976 HD23 -31.9470 -4.1700 1.2720 H 57 LEU57 0.0232 977 N -28.2640 -7.7310 3.6400 N.am 58 LEU58 -0.2456 978 CA -26.8220 -7.9190 3.4220 C.3 58 LEU58 0.0880 979 C -26.4660 -9.3910 3.1850 C.2 58 LEU58 0.2185 980 O -25.6670 -9.7080 2.3000 O.2 58 LEU58 -0.2778 981 CB -26.0750 -7.3460 4.6360 C.3 58 LEU58 -0.0266 982 CG -24.5400 -7.4770 4.6070 C.3 58 LEU58 -0.0449 983 CD1 -23.9320 -6.7480 3.4010 C.3 58 LEU58 -0.0626 984 CD2 -23.9350 -6.9490 5.9170 C.3 58 LEU58 -0.0626 985 H -28.5920 -7.3200 4.5140 H 58 LEU58 0.1312 986 HA -26.5650 -7.3620 2.5220 H 58 LEU58 0.0557 987 HB1 -26.4630 -7.8080 5.5460 H 58 LEU58 0.0287 988 HB2 -26.3240 -6.2910 4.6990 H 58 LEU58 0.0287 989 HG -24.2780 -8.5330 4.5320 H 58 LEU58 0.0296 990 HD11 -22.8440 -6.8110 3.4170 H 58 LEU58 0.0232 991 HD12 -24.2040 -5.6920 3.3970 H 58 LEU58 0.0232 992 HD13 -24.2680 -7.1860 2.4610 H 58 LEU58 0.0232 993 HD21 -22.8510 -7.0560 5.9210 H 58 LEU58 0.0232 994 HD22 -24.3240 -7.4940 6.7770 H 58 LEU58 0.0232 995 HD23 -24.1670 -5.8930 6.0610 H 58 LEU58 0.0232 996 N -27.0610 -10.2790 3.9810 N.am 59 GLY59 -0.2485 997 CA -26.8670 -11.7220 3.8140 C.3 59 GLY59 0.0765 998 C -27.4000 -12.2230 2.4780 C.2 59 GLY59 0.2155 999 O -26.7690 -13.0700 1.8380 O.2 59 GLY59 -0.2781 1000 H -27.6690 -9.9440 4.7280 H 59 GLY59 0.1309 1001 HA1 -27.4060 -12.2290 4.6090 H 59 GLY59 0.0521 1002 HA2 -25.8040 -11.9440 3.9030 H 59 GLY59 0.0521 1003 N -28.5480 -11.6880 2.0540 N.am 60 ASP60 -0.2454 1004 CA -29.1280 -11.9970 0.7330 C.3 60 ASP60 0.0974 1005 C -28.1600 -11.6550 -0.4050 C.2 60 ASP60 0.2192 1006 O -27.9240 -12.4770 -1.3000 O.2 60 ASP60 -0.2778 1007 CB -30.3220 -11.0680 0.3080 C.3 60 ASP60 0.0576 1008 CG -31.5930 -10.9020 1.1420 C.2 60 ASP60 0.1780 1009 OD1 -32.3430 -9.9570 0.8480 O.co2 60 ASP60 -0.6478 1010 OD2 -31.8330 -11.6890 2.0470 O.co2 60 ASP60 -0.6478 1011 H -29.0430 -11.0410 2.6670 H 60 ASP60 0.1312 1012 HA -29.4030 -13.0510 0.7160 H 60 ASP60 0.0563 1013 HB1 -30.6880 -11.3980 -0.6650 H 60 ASP60 0.0394 1014 HB2 -29.9890 -10.0420 0.1560 H 60 ASP60 0.0394 1015 N -27.5860 -10.4540 -0.3390 N.am 61 LEU61 -0.2456 1016 CA -26.6580 -9.9400 -1.3580 C.3 61 LEU61 0.0880 1017 C -25.3350 -10.6790 -1.3860 C.2 61 LEU61 0.2187 1018 O -24.8050 -10.9930 -2.4600 O.2 61 LEU61 -0.2778 1019 CB -26.3350 -8.4730 -1.0000 C.3 61 LEU61 -0.0266 1020 CG -27.4930 -7.4890 -1.2070 C.3 61 LEU61 -0.0449 1021 CD1 -27.2200 -6.1660 -0.4820 C.3 61 LEU61 -0.0626 1022 CD2 -27.7290 -7.2280 -2.6940 C.3 61 LEU61 -0.0626 1023 H -27.8020 -9.8590 0.4610 H 61 LEU61 0.1312 1024 HA -27.1390 -10.0340 -2.3320 H 61 LEU61 0.0557 1025 HB1 -25.4800 -8.1120 -1.5730 H 61 LEU61 0.0287 1026 HB2 -26.0240 -8.4340 0.0460 H 61 LEU61 0.0287 1027 HG -28.4010 -7.9170 -0.7820 H 61 LEU61 0.0296 1028 HD11 -28.0430 -5.4630 -0.6130 H 61 LEU61 0.0232 1029 HD12 -26.3110 -5.6890 -0.8520 H 61 LEU61 0.0232 1030 HD13 -27.0970 -6.3350 0.5860 H 61 LEU61 0.0232 1031 HD21 -28.4860 -6.4600 -2.8030 H 61 LEU61 0.0232 1032 HD22 -28.0730 -8.1220 -3.2140 H 61 LEU61 0.0232 1033 HD23 -26.8220 -6.8720 -3.1860 H 61 LEU61 0.0232 1034 N -24.7950 -10.9530 -0.2030 N.am 62 PHE62 -0.2453 1035 CA -23.4840 -11.5670 -0.1010 C.3 62 PHE62 0.0917 1036 C -23.5200 -13.0880 -0.2460 C.2 62 PHE62 0.2188 1037 O -22.5010 -13.7000 -0.5600 O.2 62 PHE62 -0.2778 1038 CB -22.8430 -11.1420 1.2370 C.3 62 PHE62 -0.0036 1039 CG -22.1930 -9.7720 1.2350 C.ar 62 PHE62 -0.0454 1040 CD1 -22.5310 -8.7710 0.3200 C.ar 62 PHE62 -0.0585 1041 CD2 -21.1890 -9.5020 2.1620 C.ar 62 PHE62 -0.0585 1042 CE1 -21.8560 -7.5580 0.3060 C.ar 62 PHE62 -0.0615 1043 CE2 -20.5120 -8.2890 2.1530 C.ar 62 PHE62 -0.0615 1044 CZ -20.8380 -7.3190 1.2160 C.ar 62 PHE62 -0.0617 1045 H -25.3110 -10.7280 0.6480 H 62 PHE62 0.1312 1046 HA -22.8680 -11.2010 -0.9240 H 62 PHE62 0.0560 1047 HB1 -22.0600 -11.8530 1.5000 H 62 PHE62 0.0333 1048 HB2 -23.5760 -11.1920 2.0430 H 62 PHE62 0.0333 1049 HD1 -23.3110 -8.9160 -0.4090 H 62 PHE62 0.0620 1050 HD2 -20.9130 -10.2510 2.8900 H 62 PHE62 0.0620 1051 HE1 -22.1210 -6.7990 -0.4150 H 62 PHE62 0.0618 1052 HE2 -19.7270 -8.1030 2.8720 H 62 PHE62 0.0618 1053 HZ -20.3100 -6.3780 1.1990 H 62 PHE62 0.0618 1054 N -24.6830 -13.6860 0.0040 N.am 63 GLY63 -0.2485 1055 CA -24.8520 -15.1430 -0.1060 C.3 63 GLY63 0.0765 1056 C -24.1380 -15.9490 0.9720 C.2 63 GLY63 0.2155 1057 O -23.7900 -17.1180 0.7610 O.2 63 GLY63 -0.2781 1058 H -25.4820 -13.1160 0.2810 H 63 GLY63 0.1309 1059 HA1 -24.5150 -15.4560 -1.0940 H 63 GLY63 0.0521 1060 HA2 -25.9230 -15.3320 -0.0340 H 63 GLY63 0.0521 1061 N -23.9040 -15.3290 2.1260 N.am 64 VAL64 -0.2456 1062 CA -23.2870 -16.0000 3.2750 C.3 64 VAL64 0.0903 1063 C -24.0870 -15.6500 4.5430 C.2 64 VAL64 0.2216 1064 O -24.7320 -14.6000 4.5980 O.2 64 VAL64 -0.2776 1065 CB -21.8170 -15.5290 3.4220 C.3 64 VAL64 -0.0227 1066 CG1 -20.9950 -15.8430 2.1630 C.3 64 VAL64 -0.0608 1067 CG2 -21.6880 -14.0390 3.7890 C.3 64 VAL64 -0.0608 1068 H -24.1640 -14.3470 2.2150 H 64 VAL64 0.1312 1069 HA -23.3350 -17.0760 3.1060 H 64 VAL64 0.0560 1070 HB -21.3620 -16.0880 4.2390 H 64 VAL64 0.0315 1071 HG11 -19.9400 -15.6230 2.3250 H 64 VAL64 0.0233 1072 HG12 -21.3260 -15.2490 1.3110 H 64 VAL64 0.0233 1073 HG13 -21.0780 -16.8960 1.8940 H 64 VAL64 0.0233 1074 HG21 -20.6420 -13.7330 3.8290 H 64 VAL64 0.0233 1075 HG22 -22.1180 -13.8270 4.7680 H 64 VAL64 0.0233 1076 HG23 -22.1940 -13.4060 3.0620 H 64 VAL64 0.0233 1077 N -24.0630 -16.5380 5.5550 N.am 65 PRO65 -0.2316 1078 CA -24.7100 -16.2310 6.8360 C.3 65 PRO65 0.0907 1079 C -23.9050 -15.2680 7.7140 C.2 65 PRO65 0.2190 1080 O -24.4760 -14.5820 8.5720 O.2 65 PRO65 -0.2778 1081 CB -24.7870 -17.6140 7.4940 C.3 65 PRO65 -0.0276 1082 CG -23.5910 -18.3800 6.9310 C.3 65 PRO65 -0.0379 1083 CD -23.4280 -17.8530 5.5040 C.3 65 PRO65 0.0071 1084 HA -25.7000 -15.8110 6.6510 H 65 PRO65 0.0559 1085 HB1 -25.7060 -18.1060 7.1770 H 65 PRO65 0.0285 1086 HB2 -24.7920 -17.5840 8.5850 H 65 PRO65 0.0285 1087 HG1 -23.7270 -19.4610 6.9670 H 65 PRO65 0.0278 1088 HG2 -22.7000 -18.1380 7.5120 H 65 PRO65 0.0278 1089 HD1 -22.3830 -17.7600 5.2100 H 65 PRO65 0.0431 1090 HD2 -23.9820 -18.4570 4.7830 H 65 PRO65 0.0431 1091 N -22.5940 -15.2410 7.5070 N.am 66 SER66 -0.2436 1092 CA -21.6690 -14.4700 8.3370 C.3 66 SER66 0.1109 1093 C -20.3380 -14.3210 7.6250 C.2 66 SER66 0.2209 1094 O -20.0270 -15.0780 6.6990 O.2 66 SER66 -0.2777 1095 CB -21.4960 -15.1060 9.7260 C.3 66 SER66 0.0681 1096 OG -20.9660 -16.4220 9.6210 O.3 66 SER66 -0.3930 1097 H -22.2130 -15.7840 6.7320 H 66 SER66 0.1312 1098 HA -22.1100 -13.4780 8.4140 H 66 SER66 0.0580 1099 HB1 -22.4740 -15.1390 10.2150 H 66 SER66 0.0577 1100 HB2 -20.8440 -14.4760 10.3420 H 66 SER66 0.0577 1101 HG -20.8300 -16.8100 10.4820 H 66 SER66 0.2095 1102 N -19.5540 -13.3430 8.0690 N.am 67 PHE67 -0.2453 1103 CA -18.2080 -13.1270 7.5670 C.3 67 PHE67 0.0918 1104 C -17.4160 -12.3190 8.5870 C.2 67 PHE67 0.2191 1105 O -18.0000 -11.6990 9.4830 O.2 67 PHE67 -0.2778 1106 CB -18.2410 -12.4300 6.1900 C.3 67 PHE67 -0.0036 1107 CG -18.8640 -11.0550 6.2250 C.ar 67 PHE67 -0.0454 1108 CD1 -18.0750 -9.9310 6.4560 C.ar 67 PHE67 -0.0585 1109 CD2 -20.2300 -10.8880 6.0120 C.ar 67 PHE67 -0.0585 1110 CE1 -18.6430 -8.6650 6.4940 C.ar 67 PHE67 -0.0615 1111 CE2 -20.7990 -9.6210 6.0370 C.ar 67 PHE67 -0.0615 1112 CZ -20.0050 -8.5080 6.2790 C.ar 67 PHE67 -0.0617 1113 H -19.9120 -12.7190 8.7920 H 67 PHE67 0.1312 1114 HA -17.7350 -14.1070 7.4840 H 67 PHE67 0.0560 1115 HB1 -18.7920 -13.0460 5.4800 H 67 PHE67 0.0333 1116 HB2 -17.2290 -12.3480 5.7900 H 67 PHE67 0.0333 1117 HD1 -17.0130 -10.0400 6.6200 H 67 PHE67 0.0620 1118 HD2 -20.8580 -11.7480 5.8310 H 67 PHE67 0.0620 1119 HE1 -18.0210 -7.8080 6.7000 H 67 PHE67 0.0618 1120 HE2 -21.8610 -9.5030 5.8760 H 67 PHE67 0.0618 1121 HZ -20.4480 -7.5240 6.3090 H 67 PHE67 0.0618 1122 N -16.0960 -12.3380 8.4460 N.am 68 SER68 -0.2436 1123 CA -15.2070 -11.5720 9.3140 C.3 68 SER68 0.1109 1124 C -14.7790 -10.2800 8.6290 C.2 68 SER68 0.2209 1125 O -14.3930 -10.2980 7.4550 O.2 68 SER68 -0.2777 1126 CB -14.0010 -12.4680 9.6060 C.3 68 SER68 0.0681 1127 OG -13.0730 -11.8750 10.5140 O.3 68 SER68 -0.3930 1128 H -15.6890 -12.9080 7.7050 H 68 SER68 0.1312 1129 HA -15.7280 -11.3440 10.2430 H 68 SER68 0.0580 1130 HB1 -13.5160 -12.7010 8.6560 H 68 SER68 0.0577 1131 HB2 -14.3740 -13.4160 10.0130 H 68 SER68 0.0577 1132 HG -12.3510 -12.4820 10.6610 H 68 SER68 0.2095 1133 N -14.8310 -9.1610 9.3570 N.am 69 VAL69 -0.2453 1134 CA -14.3890 -7.8810 8.7980 C.3 69 VAL69 0.0901 1135 C -12.8840 -7.8550 8.5470 C.2 69 VAL69 0.2189 1136 O -12.3900 -6.9530 7.8710 O.2 69 VAL69 -0.2778 1137 CB -14.8310 -6.7260 9.7140 C.3 69 VAL69 -0.0227 1138 CG1 -16.3440 -6.7730 9.9500 C.3 69 VAL69 -0.0608 1139 CG2 -14.0790 -6.6800 11.0530 C.3 69 VAL69 -0.0608 1140 H -15.1830 -9.1980 10.3140 H 69 VAL69 0.1312 1141 HA -14.8940 -7.7670 7.8410 H 69 VAL69 0.0560 1142 HB -14.6120 -5.7980 9.1870 H 69 VAL69 0.0315 1143 HG11 -16.6890 -5.8510 10.4080 H 69 VAL69 0.0233 1144 HG12 -16.6100 -7.5900 10.6190 H 69 VAL69 0.0233 1145 HG13 -16.8960 -6.9040 9.0190 H 69 VAL69 0.0233 1146 HG21 -14.4620 -5.8790 11.6860 H 69 VAL69 0.0233 1147 HG22 -13.0140 -6.4970 10.9090 H 69 VAL69 0.0233 1148 HG23 -14.1870 -7.6170 11.5950 H 69 VAL69 0.0233 1149 N -12.1660 -8.8350 9.0960 N.am 70 LYS70 -0.2456 1150 CA -10.7210 -8.9540 8.8760 C.3 70 LYS70 0.0878 1151 C -10.3980 -9.5750 7.5110 C.2 70 LYS70 0.2187 1152 O -9.2730 -9.4560 7.0300 O.2 70 LYS70 -0.2778 1153 CB -10.1350 -9.8710 9.9630 C.3 70 LYS70 -0.0289 1154 CG -10.3040 -9.3510 11.4000 C.3 70 LYS70 -0.0496 1155 CD -10.0540 -10.4600 12.4340 C.3 70 LYS70 -0.0278 1156 CE -10.0150 -9.9470 13.8780 C.3 70 LYS70 0.1103 1157 NZ -10.1950 -11.0230 14.8580 N.4 70 LYS70 -0.0749 1158 H -12.6350 -9.5220 9.6860 H 70 LYS70 0.1312 1159 HA -10.2800 -7.9570 8.9230 H 70 LYS70 0.0557 1160 HB1 -9.0720 -10.0350 9.7780 H 70 LYS70 0.0285 1161 HB2 -10.6040 -10.8500 9.8750 H 70 LYS70 0.0285 1162 HG1 -11.3100 -8.9550 11.5460 H 70 LYS70 0.0266 1163 HG2 -9.6200 -8.5160 11.5600 H 70 LYS70 0.0266 1164 HD1 -9.1200 -10.9760 12.2060 H 70 LYS70 0.0282 1165 HD2 -10.8450 -11.2030 12.3350 H 70 LYS70 0.0282 1166 HE1 -10.8010 -9.2100 14.0420 H 70 LYS70 0.0559 1167 HE2 -9.0660 -9.4460 14.0780 H 70 LYS70 0.0559 1168 HZ1 -10.1720 -10.6350 15.8230 H 70 LYS70 0.2742 1169 HZ2 -9.4460 -11.7370 14.7470 H 70 LYS70 0.2742 1170 HZ3 -11.1220 -11.4780 14.7150 H 70 LYS70 0.2742 1171 N -11.3800 -10.2340 6.9010 N.am 71 GLU71 -0.2456 1172 CA -11.1610 -10.9680 5.6550 C.3 71 GLU71 0.0883 1173 C -11.4770 -10.0800 4.4520 C.2 71 GLU71 0.2187 1174 O -12.4920 -10.2550 3.7630 O.2 71 GLU71 -0.2778 1175 CB -11.9900 -12.2500 5.7010 C.3 71 GLU71 -0.0193 1176 CG -11.4910 -13.1710 6.8280 C.3 71 GLU71 0.0356 1177 CD -12.2890 -14.4740 6.8720 C.2 71 GLU71 0.1760 1178 OE1 -13.5130 -14.4440 6.7890 O.co2 71 GLU71 -0.6478 1179 OE2 -11.6930 -15.5400 6.9680 O.co2 71 GLU71 -0.6478 1180 H -12.3130 -10.2270 7.3140 H 71 GLU71 0.1312 1181 HA -10.1050 -11.2400 5.5940 H 71 GLU71 0.0557 1182 HB1 -11.9180 -12.7720 4.7470 H 71 GLU71 0.0290 1183 HB2 -13.0440 -12.0050 5.8470 H 71 GLU71 0.0290 1184 HG1 -11.5560 -12.6930 7.8020 H 71 GLU71 0.0374 1185 HG2 -10.4400 -13.4150 6.6720 H 71 GLU71 0.0374 1186 N -10.5810 -9.1260 4.2110 N.am 72 HIS72 -0.2453 1187 CA -10.8260 -8.0690 3.2270 C.3 72 HIS72 0.0932 1188 C -10.9750 -8.6020 1.8060 C.2 72 HIS72 0.2190 1189 O -11.8040 -8.1090 1.0400 O.2 72 HIS72 -0.2778 1190 CB -9.6770 -7.0420 3.2470 C.3 72 HIS72 0.0146 1191 CG -9.6690 -6.2000 4.5060 C.ar 72 HIS72 0.0551 1192 ND1 -8.9040 -5.0970 4.6460 N.ar 72 HIS72 -0.2469 1193 CD2 -10.4450 -6.3390 5.6680 C.ar 72 HIS72 0.0047 1194 CE1 -9.1970 -4.5880 5.8550 C.ar 72 HIS72 0.0737 1195 NE2 -10.1320 -5.3150 6.4930 N.ar 72 HIS72 -0.2539 1196 H -9.7000 -9.1310 4.7250 H 72 HIS72 0.1312 1197 HA -11.7690 -7.5930 3.4910 H 72 HIS72 0.0561 1198 HB1 -9.7640 -6.3530 2.4060 H 72 HIS72 0.0348 1199 HB2 -8.7120 -7.5400 3.1520 H 72 HIS72 0.0348 1200 HD2 -11.1750 -7.1110 5.8510 H 72 HIS72 0.0764 1201 HE1 -8.7530 -3.6870 6.2570 H 72 HIS72 0.0963 1202 HE2 -10.5170 -5.1300 7.3760 H 72 HIS72 0.1339 1203 N -10.1770 -9.6100 1.4510 N.am 73 ARG73 -0.2456 1204 CA -10.2370 -10.1670 0.0940 C.3 73 ARG73 0.0879 1205 C -11.6020 -10.7870 -0.2040 C.2 73 ARG73 0.2187 1206 O -12.1480 -10.6270 -1.3010 O.2 73 ARG73 -0.2778 1207 CB -9.1070 -11.1880 -0.1160 C.3 73 ARG73 -0.0258 1208 CG -7.7100 -10.5490 -0.0310 C.3 73 ARG73 -0.0154 1209 CD -6.5670 -11.5400 -0.3130 C.3 73 ARG73 0.1045 1210 NE -6.6310 -12.0590 -1.6840 N.pl3 73 ARG73 -0.4450 1211 CZ -6.1810 -11.4180 -2.7620 C.cat 73 ARG73 0.5062 1212 NH1 -6.2880 -11.9830 -3.9360 N.pl3 73 ARG73 -0.4573 1213 NH2 -5.6310 -10.2350 -2.6740 N.pl3 73 ARG73 -0.4573 1214 H -9.5190 -9.9970 2.1280 H 73 ARG73 0.1312 1215 HA -10.1080 -9.3330 -0.5970 H 73 ARG73 0.0557 1216 HB1 -9.2290 -11.6540 -1.0940 H 73 ARG73 0.0286 1217 HB2 -9.1920 -11.9890 0.6210 H 73 ARG73 0.0286 1218 HG1 -7.5670 -10.1250 0.9630 H 73 ARG73 0.0299 1219 HG2 -7.6490 -9.7120 -0.7270 H 73 ARG73 0.0299 1220 HD1 -6.6350 -12.4000 0.3590 H 73 ARG73 0.0711 1221 HD2 -5.5860 -11.0890 -0.1440 H 73 ARG73 0.0711 1222 HE -7.0360 -12.9590 -1.8390 H 73 ARG73 0.3153 1223 HH11 -5.9560 -11.5140 -4.7520 H 73 ARG73 0.3114 1224 HH12 -6.7020 -12.8860 -4.0270 H 73 ARG73 0.3114 1225 HH21 -5.2990 -9.7680 -3.4910 H 73 ARG73 0.3114 1226 HH22 -5.5440 -9.7980 -1.7830 H 73 ARG73 0.3114 1227 N -12.1640 -11.4720 0.7840 N.am 74 LYS74 -0.2457 1228 CA -13.4710 -12.0860 0.6320 C.3 74 LYS74 0.0878 1229 C -14.5730 -11.0380 0.5740 C.2 74 LYS74 0.2187 1230 O -15.5670 -11.2230 -0.1220 O.2 74 LYS74 -0.2778 1231 CB -13.8280 -12.9450 1.8670 C.3 74 LYS74 -0.0289 1232 CG -12.9030 -14.1210 2.2100 C.3 74 LYS74 -0.0496 1233 CD -13.5090 -14.9240 3.3780 C.3 74 LYS74 -0.0278 1234 CE -12.5660 -15.9540 4.0110 C.3 74 LYS74 0.1103 1235 NZ -13.1380 -16.5520 5.2180 N.4 74 LYS74 -0.0749 1236 H -11.6670 -11.5690 1.6690 H 74 LYS74 0.1312 1237 HA -13.4750 -12.6750 -0.2860 H 74 LYS74 0.0557 1238 HB1 -14.8350 -13.3460 1.7330 H 74 LYS74 0.0285 1239 HB2 -13.8830 -12.3040 2.7500 H 74 LYS74 0.0285 1240 HG1 -11.9190 -13.7410 2.4850 H 74 LYS74 0.0266 1241 HG2 -12.7660 -14.7650 1.3410 H 74 LYS74 0.0266 1242 HD1 -14.4260 -15.4160 3.0490 H 74 LYS74 0.0282 1243 HD2 -13.8120 -14.2220 4.1580 H 74 LYS74 0.0282 1244 HE1 -11.6400 -15.4560 4.3070 H 74 LYS74 0.0559 1245 HE2 -12.2990 -16.7510 3.3160 H 74 LYS74 0.0559 1246 HZ1 -12.3720 -16.8300 5.8710 H 74 LYS74 0.2742 1247 HZ2 -13.7920 -17.3260 5.0180 H 74 LYS74 0.2742 1248 HZ3 -13.6170 -15.8090 5.7710 H 74 LYS74 0.2742 1249 N -14.3870 -9.9400 1.3080 N.am 75 ILE75 -0.2454 1250 CA -15.3170 -8.8130 1.2270 C.3 75 ILE75 0.0903 1251 C -15.3290 -8.2200 -0.1890 C.2 75 ILE75 0.2189 1252 O -16.3970 -8.0040 -0.7580 O.2 75 ILE75 -0.2778 1253 CB -15.0030 -7.7930 2.3400 C.3 75 ILE75 -0.0201 1254 CG1 -15.2600 -8.4270 3.7220 C.3 75 ILE75 -0.0514 1255 CG2 -15.8190 -6.4980 2.1810 C.3 75 ILE75 -0.0605 1256 CD1 -14.6300 -7.6550 4.8830 C.3 75 ILE75 -0.0650 1257 H -13.5850 -9.8850 1.9350 H 75 ILE75 0.1312 1258 HA -16.3150 -9.2180 1.3990 H 75 ILE75 0.0560 1259 HB -13.9460 -7.5410 2.2710 H 75 ILE75 0.0318 1260 HG11 -14.8650 -9.4410 3.7560 H 75 ILE75 0.0266 1261 HG12 -16.3340 -8.5280 3.8880 H 75 ILE75 0.0266 1262 HG21 -15.6370 -5.8060 3.0020 H 75 ILE75 0.0233 1263 HG22 -16.8880 -6.7090 2.1530 H 75 ILE75 0.0233 1264 HG23 -15.5580 -5.9710 1.2630 H 75 ILE75 0.0233 1265 HD11 -14.7900 -8.2050 5.8060 H 75 ILE75 0.0230 1266 HD12 -15.0640 -6.6630 4.9990 H 75 ILE75 0.0230 1267 HD13 -13.5560 -7.5420 4.7550 H 75 ILE75 0.0230 1268 N -14.1540 -7.9980 -0.7710 N.am 76 TYR76 -0.2453 1269 CA -14.1030 -7.5450 -2.1670 C.3 76 TYR76 0.0917 1270 C -14.7790 -8.5140 -3.1410 C.2 76 TYR76 0.2191 1271 O -15.4580 -8.0770 -4.0650 O.2 76 TYR76 -0.2778 1272 CB -12.6500 -7.2840 -2.5950 C.3 76 TYR76 -0.0036 1273 CG -12.0660 -6.0750 -1.9130 C.ar 76 TYR76 -0.0453 1274 CD1 -10.9360 -6.1800 -1.1070 C.ar 76 TYR76 -0.0561 1275 CD2 -12.6410 -4.8210 -2.1030 C.ar 76 TYR76 -0.0561 1276 CE1 -10.4060 -5.0590 -0.4790 C.ar 76 TYR76 -0.0317 1277 CE2 -12.1120 -3.7030 -1.4770 C.ar 76 TYR76 -0.0317 1278 CZ -10.9960 -3.8190 -0.6650 C.ar 76 TYR76 0.0726 1279 OH -10.4680 -2.7030 -0.0510 O.3 76 TYR76 -0.3598 1280 H -13.2900 -8.1420 -0.2490 H 76 TYR76 0.1312 1281 HA -14.6830 -6.6220 -2.2090 H 76 TYR76 0.0560 1282 HB1 -12.5980 -7.1080 -3.6700 H 76 TYR76 0.0333 1283 HB2 -12.0360 -8.1630 -2.3940 H 76 TYR76 0.0333 1284 HD1 -10.4690 -7.1390 -0.9540 H 76 TYR76 0.0621 1285 HD2 -13.5100 -4.7100 -2.7360 H 76 TYR76 0.0621 1286 HE1 -9.5380 -5.1450 0.1560 H 76 TYR76 0.0643 1287 HE2 -12.5720 -2.7410 -1.6250 H 76 TYR76 0.0643 1288 HH -11.0270 -1.9560 -0.2160 H 76 TYR76 0.2173 1289 N -14.5970 -9.8200 -2.9330 N.am 77 THR77 -0.2434 1290 CA -15.2830 -10.8210 -3.7500 C.3 77 THR77 0.1135 1291 C -16.8030 -10.6390 -3.6900 C.2 77 THR77 0.2212 1292 O -17.4920 -10.6160 -4.7240 O.2 77 THR77 -0.2777 1293 CB -14.8730 -12.2390 -3.3030 C.3 77 THR77 0.0763 1294 OG1 -13.4590 -12.3330 -3.3790 O.3 77 THR77 -0.3900 1295 CG2 -15.5180 -13.3340 -4.1740 C.3 77 THR77 -0.0370 1296 H -13.9680 -10.1260 -2.1910 H 77 THR77 0.1313 1297 HA -14.9610 -10.6520 -4.7790 H 77 THR77 0.0583 1298 HB -15.1860 -12.3690 -2.2610 H 77 THR77 0.0611 1299 HG1 -13.1560 -13.1880 -3.0920 H 77 THR77 0.2098 1300 HG21 -15.2440 -14.3340 -3.8390 H 77 THR77 0.0255 1301 HG22 -15.2080 -13.2320 -5.2140 H 77 THR77 0.0255 1302 HG23 -16.6060 -13.2780 -4.1450 H 77 THR77 0.0255 1303 N -17.3180 -10.5110 -2.4690 N.am 78 MET78 -0.2456 1304 CA -18.7600 -10.4190 -2.2570 C.3 78 MET78 0.0886 1305 C -19.3360 -9.1310 -2.8400 C.2 78 MET78 0.2187 1306 O -20.4340 -9.1420 -3.4010 O.2 78 MET78 -0.2778 1307 CB -19.0920 -10.5950 -0.7680 C.3 78 MET78 -0.0199 1308 CG -18.7890 -12.0220 -0.2840 C.3 78 MET78 -0.0047 1309 SD -19.3280 -12.3200 1.4090 S.3 78 MET78 -0.1641 1310 CE -18.0760 -11.3770 2.2980 C.3 78 MET78 -0.0181 1311 H -16.6920 -10.4760 -1.6650 H 78 MET78 0.1312 1312 HA -19.2060 -11.2380 -2.8170 H 78 MET78 0.0557 1313 HB1 -20.1520 -10.3970 -0.6100 H 78 MET78 0.0293 1314 HB2 -18.5460 -9.8630 -0.1720 H 78 MET78 0.0293 1315 HG1 -17.7220 -12.2240 -0.3480 H 78 MET78 0.0377 1316 HG2 -19.2740 -12.7570 -0.9250 H 78 MET78 0.0377 1317 HE1 -18.1400 -11.5740 3.3670 H 78 MET78 0.0340 1318 HE2 -18.2060 -10.3100 2.1210 H 78 MET78 0.0340 1319 HE3 -17.0790 -11.6560 1.9580 H 78 MET78 0.0340 1320 N -18.5920 -8.0330 -2.7250 N.am 79 ILE79 -0.2454 1321 CA -18.9940 -6.7700 -3.3520 C.3 79 ILE79 0.0903 1322 C -18.9720 -6.8770 -4.8820 C.2 79 ILE79 0.2189 1323 O -19.9260 -6.4690 -5.5490 O.2 79 ILE79 -0.2778 1324 CB -18.0910 -5.6220 -2.8400 C.3 79 ILE79 -0.0201 1325 CG1 -18.2700 -5.4120 -1.3210 C.3 79 ILE79 -0.0514 1326 CG2 -18.3510 -4.3000 -3.5920 C.3 79 ILE79 -0.0605 1327 CD1 -17.1820 -4.5310 -0.6950 C.3 79 ILE79 -0.0650 1328 H -17.7250 -8.0710 -2.1900 H 79 ILE79 0.1312 1329 HA -20.0250 -6.5780 -3.0510 H 79 ILE79 0.0560 1330 HB -17.0550 -5.9120 -3.0200 H 79 ILE79 0.0318 1331 HG11 -18.2600 -6.3690 -0.8000 H 79 ILE79 0.0266 1332 HG12 -19.2510 -4.9810 -1.1200 H 79 ILE79 0.0266 1333 HG21 -17.7200 -3.4950 -3.2190 H 79 ILE79 0.0233 1334 HG22 -19.3890 -3.9840 -3.4840 H 79 ILE79 0.0233 1335 HG23 -18.1400 -4.3880 -4.6580 H 79 ILE79 0.0233 1336 HD11 -17.3030 -4.4860 0.3860 H 79 ILE79 0.0230 1337 HD12 -17.2190 -3.5080 -1.0690 H 79 ILE79 0.0230 1338 HD13 -16.1880 -4.9310 -0.8990 H 79 ILE79 0.0230 1339 N -17.9030 -7.4530 -5.4290 N.am 80 TYR80 -0.2453 1340 CA -17.7890 -7.5940 -6.8870 C.3 80 TYR80 0.0917 1341 C -18.8900 -8.4220 -7.5550 C.2 80 TYR80 0.2190 1342 O -19.2830 -8.1170 -8.6870 O.2 80 TYR80 -0.2778 1343 CB -16.3720 -8.0540 -7.2750 C.3 80 TYR80 -0.0036 1344 CG -15.4690 -6.8710 -7.5330 C.ar 80 TYR80 -0.0453 1345 CD1 -15.0810 -6.5500 -8.8320 C.ar 80 TYR80 -0.0561 1346 CD2 -15.0570 -6.0440 -6.4910 C.ar 80 TYR80 -0.0561 1347 CE1 -14.2940 -5.4320 -9.0810 C.ar 80 TYR80 -0.0317 1348 CE2 -14.2520 -4.9410 -6.7350 C.ar 80 TYR80 -0.0317 1349 CZ -13.8770 -4.6280 -8.0320 C.ar 80 TYR80 0.0726 1350 OH -13.0970 -3.5160 -8.2760 O.3 80 TYR80 -0.3598 1351 H -17.1550 -7.8000 -4.8290 H 80 TYR80 0.1312 1352 HA -17.9350 -6.5880 -7.2800 H 80 TYR80 0.0560 1353 HB1 -16.3930 -8.6690 -8.1760 H 80 TYR80 0.0333 1354 HB2 -15.9440 -8.6820 -6.4940 H 80 TYR80 0.0333 1355 HD1 -15.4040 -7.1620 -9.6620 H 80 TYR80 0.0621 1356 HD2 -15.3730 -6.2360 -5.4790 H 80 TYR80 0.0621 1357 HE1 -14.0040 -5.1850 -10.0920 H 80 TYR80 0.0643 1358 HE2 -13.9310 -4.3200 -5.9130 H 80 TYR80 0.0643 1359 HH -12.7700 -3.1760 -7.4550 H 80 TYR80 0.2173 1360 N -19.3850 -9.4460 -6.8540 N.am 81 ARG81 -0.2456 1361 CA -20.5320 -10.2360 -7.3180 C.3 81 ARG81 0.0879 1362 C -21.8050 -9.3860 -7.4260 C.2 81 ARG81 0.2187 1363 O -22.7850 -9.8000 -8.0530 O.2 81 ARG81 -0.2778 1364 CB -20.9340 -11.2550 -6.2200 C.3 81 ARG81 -0.0258 1365 CG -20.0110 -12.4430 -5.9290 C.3 81 ARG81 -0.0154 1366 CD -20.5770 -13.2160 -4.7210 C.3 81 ARG81 0.1045 1367 NE -19.8190 -14.4350 -4.4410 N.pl3 81 ARG81 -0.4450 1368 CZ -20.0970 -15.2310 -3.4060 C.cat 81 ARG81 0.5062 1369 NH1 -21.0240 -14.9290 -2.5350 N.pl3 81 ARG81 -0.4573 1370 NH2 -19.4310 -16.3430 -3.2550 N.pl3 81 ARG81 -0.4573 1371 H -18.9500 -9.6880 -5.9640 H 81 ARG81 0.1312 1372 HA -20.2870 -10.6990 -8.2740 H 81 ARG81 0.0557 1373 HB1 -21.9090 -11.6870 -6.4570 H 81 ARG81 0.0286 1374 HB2 -21.0800 -10.7080 -5.2860 H 81 ARG81 0.0286 1375 HG1 -18.9980 -12.1100 -5.7230 H 81 ARG81 0.0299 1376 HG2 -19.9570 -13.0920 -6.8040 H 81 ARG81 0.0299 1377 HD1 -21.6120 -13.5120 -4.9140 H 81 ARG81 0.0711 1378 HD2 -20.5710 -12.5870 -3.8290 H 81 ARG81 0.0711 1379 HE -19.0690 -14.6940 -5.0470 H 81 ARG81 0.3153 1380 HH11 -21.2360 -15.5350 -1.7700 H 81 ARG81 0.3114 1381 HH12 -21.5440 -14.0800 -2.6100 H 81 ARG81 0.3114 1382 HH21 -19.6400 -16.9400 -2.4830 H 81 ARG81 0.3114 1383 HH22 -18.7230 -16.6000 -3.9070 H 81 ARG81 0.3114 1384 N -21.7740 -8.2020 -6.8160 N.am 82 ASN82 -0.2452 1385 CA -22.9200 -7.2950 -6.7740 C.3 82 ASN82 0.0957 1386 C -22.7210 -5.9970 -7.5600 C.2 82 ASN82 0.2191 1387 O -23.3780 -4.9860 -7.2980 O.2 82 ASN82 -0.2778 1388 CB -23.2450 -7.0030 -5.3000 C.3 82 ASN82 0.0446 1389 CG -23.7540 -8.2830 -4.6260 C.2 82 ASN82 0.2000 1390 OD1 -24.4470 -9.0880 -5.2350 O.2 82 ASN82 -0.2797 1391 ND2 -23.3740 -8.4230 -3.3490 N.am 82 ASN82 -0.2723 1392 H -20.9100 -7.9150 -6.3560 H 82 ASN82 0.1312 1393 HA -23.7730 -7.7870 -7.2350 H 82 ASN82 0.0562 1394 HB1 -24.0270 -6.2520 -5.2050 H 82 ASN82 0.0375 1395 HB2 -22.3640 -6.6370 -4.7720 H 82 ASN82 0.0375 1396 HD21 -23.6910 -9.2200 -2.8340 H 82 ASN82 0.1266 1397 HD22 -22.7810 -7.7600 -2.8940 H 82 ASN82 0.1266 1398 N -21.8230 -6.0530 -8.5360 N.am 83 LEU83 -0.2456 1399 CA -21.5540 -4.9260 -9.4250 C.3 83 LEU83 0.0880 1400 C -21.9680 -5.2390 -10.8630 C.2 83 LEU83 0.2187 1401 O -22.0760 -6.4040 -11.2460 O.2 83 LEU83 -0.2778 1402 CB -20.0530 -4.5710 -9.4060 C.3 83 LEU83 -0.0266 1403 CG -19.4950 -4.1500 -8.0350 C.3 83 LEU83 -0.0449 1404 CD1 -17.9880 -3.8710 -8.1300 C.3 83 LEU83 -0.0626 1405 CD2 -20.2300 -2.9400 -7.4440 C.3 83 LEU83 -0.0626 1406 H -21.3000 -6.9180 -8.6700 H 83 LEU83 0.1312 1407 HA -22.1370 -4.0630 -9.1010 H 83 LEU83 0.0557 1408 HB1 -19.8620 -3.7610 -10.1130 H 83 LEU83 0.0287 1409 HB2 -19.4800 -5.4270 -9.7670 H 83 LEU83 0.0287 1410 HG -19.6250 -4.9820 -7.3490 H 83 LEU83 0.0296 1411 HD11 -17.5670 -3.6340 -7.1530 H 83 LEU83 0.0232 1412 HD12 -17.7800 -3.0370 -8.7980 H 83 LEU83 0.0232 1413 HD13 -17.4520 -4.7360 -8.5190 H 83 LEU83 0.0232 1414 HD21 -19.7450 -2.5950 -6.5300 H 83 LEU83 0.0232 1415 HD22 -21.2540 -3.1990 -7.1810 H 83 LEU83 0.0232 1416 HD23 -20.2570 -2.1050 -8.1440 H 83 LEU83 0.0232 1417 N -22.2020 -4.1860 -11.6450 N.am 84 VAL84 -0.2454 1418 CA -22.4680 -4.3070 -13.0810 C.3 84 VAL84 0.0901 1419 C -21.5340 -3.3640 -13.8390 C.2 84 VAL84 0.2189 1420 O -20.9710 -2.4290 -13.2580 O.2 84 VAL84 -0.2778 1421 CB -23.9550 -4.0190 -13.3870 C.3 84 VAL84 -0.0227 1422 CG1 -24.7810 -5.3020 -13.2560 C.3 84 VAL84 -0.0608 1423 CG2 -24.5330 -2.8910 -12.5170 C.3 84 VAL84 -0.0608 1424 H -22.1960 -3.2560 -11.2260 H 84 VAL84 0.1312 1425 HA -22.2000 -5.3150 -13.4060 H 84 VAL84 0.0560 1426 HB -24.0480 -3.7040 -14.4290 H 84 VAL84 0.0315 1427 HG11 -25.8490 -5.1030 -13.3460 H 84 VAL84 0.0233 1428 HG12 -24.5950 -5.7810 -12.2990 H 84 VAL84 0.0233 1429 HG13 -24.5090 -6.0180 -14.0320 H 84 VAL84 0.0233 1430 HG21 -25.5380 -2.6240 -12.8420 H 84 VAL84 0.0233 1431 HG22 -23.9150 -1.9960 -12.5810 H 84 VAL84 0.0233 1432 HG23 -24.5980 -3.1770 -11.4660 H 84 VAL84 0.0233 1433 N -21.3670 -3.6110 -15.1360 N.am 85 VAL85 -0.2454 1434 CA -20.5050 -2.7550 -15.9560 C.3 85 VAL85 0.0901 1435 C -20.9500 -1.2900 -15.8590 C.2 85 VAL85 0.2189 1436 O -22.1500 -1.0000 -15.8450 O.2 85 VAL85 -0.2778 1437 CB -20.5110 -3.2590 -17.4160 C.3 85 VAL85 -0.0227 1438 CG1 -21.9180 -3.2830 -18.0390 C.3 85 VAL85 -0.0608 1439 CG2 -19.5380 -2.4670 -18.3030 C.3 85 VAL85 -0.0608 1440 H -21.8440 -4.4050 -15.5640 H 85 VAL85 0.1312 1441 HA -19.5000 -2.8420 -15.5400 H 85 VAL85 0.0560 1442 HB -20.1540 -4.2900 -17.3960 H 85 VAL85 0.0315 1443 HG11 -21.8840 -3.6780 -19.0550 H 85 VAL85 0.0233 1444 HG12 -22.3480 -2.2840 -18.0940 H 85 VAL85 0.0233 1445 HG13 -22.6030 -3.9100 -17.4700 H 85 VAL85 0.0233 1446 HG21 -19.4720 -2.9070 -19.2980 H 85 VAL85 0.0233 1447 HG22 -18.5340 -2.4590 -17.8780 H 85 VAL85 0.0233 1448 HG23 -19.8570 -1.4320 -18.4260 H 85 VAL85 0.0233 1449 N -19.9750 -0.3870 -15.7570 N.am 86 VAL86 -0.2454 1450 CA -20.2440 1.0490 -15.7400 C.3 86 VAL86 0.0901 1451 C -20.3370 1.5490 -17.1800 C.2 86 VAL86 0.2189 1452 O -19.3540 1.5070 -17.9320 O.2 86 VAL86 -0.2778 1453 CB -19.1250 1.7780 -14.9660 C.3 86 VAL86 -0.0227 1454 CG1 -19.4420 3.2720 -14.7900 C.3 86 VAL86 -0.0608 1455 CG2 -18.8650 1.1320 -13.5970 C.3 86 VAL86 -0.0608 1456 H -19.0100 -0.7090 -15.6890 H 86 VAL86 0.1312 1457 HA -21.1980 1.2050 -15.2330 H 86 VAL86 0.0560 1458 HB -18.1980 1.6980 -15.5360 H 86 VAL86 0.0315 1459 HG11 -18.6460 3.7780 -14.2440 H 86 VAL86 0.0233 1460 HG12 -20.3690 3.4130 -14.2340 H 86 VAL86 0.0233 1461 HG13 -19.5470 3.7740 -15.7520 H 86 VAL86 0.0233 1462 HG21 -18.1280 1.7050 -13.0420 H 86 VAL86 0.0233 1463 HG22 -18.4810 0.1160 -13.6890 H 86 VAL86 0.0233 1464 HG23 -19.7690 1.0940 -12.9960 H 86 VAL86 0.0233 1465 N -21.5220 2.0180 -17.5510 N.am 87 ASN87 -0.2468 1466 CA -21.7700 2.5280 -18.8960 C.3 87 ASN87 0.0778 1467 C -21.7480 4.0490 -18.9640 C.2 87 ASN87 0.1380 1468 O -20.6740 4.6570 -18.9380 O.2 87 ASN87 -0.2994 1469 CB -23.0730 1.9540 -19.4780 C.3 87 ASN87 0.0430 1470 CG -23.0470 0.4170 -19.5030 C.2 87 ASN87 0.1999 1471 OD1 -22.0010 -0.2100 -19.5780 O.2 87 ASN87 -0.2797 1472 ND2 -24.2600 -0.1500 -19.4350 N.am 87 ASN87 -0.2723 1473 H -22.2840 2.0220 -16.8740 H 87 ASN87 0.1311 1474 HA -20.9480 2.1970 -19.5360 H 87 ASN87 0.0545 1475 H -22.6950 4.6100 -19.0370 H 87 ASN87 0.1043 1476 HB1 -23.2250 2.3010 -20.5000 H 87 ASN87 0.0375 1477 HB2 -23.9300 2.2810 -18.8900 H 87 ASN87 0.0375 1478 HD21 -24.3130 -1.1490 -19.4370 H 87 ASN87 0.1266 1479 HD22 -25.1000 0.3870 -19.3890 H 87 ASN87 0.1266 @BOND 1 1 2 1 2 1 10 1 3 1 11 1 4 1 12 1 5 2 5 1 6 2 3 1 7 2 13 1 8 3 4 2 9 3 18 am 10 5 6 1 11 5 14 1 12 5 15 1 13 6 7 1 14 6 16 1 15 6 17 1 16 7 8 ar 17 7 9 ar 18 18 19 1 19 18 25 1 20 19 22 1 21 19 20 1 22 19 26 1 23 20 21 2 24 20 32 am 25 22 24 1 26 22 23 1 27 22 27 1 28 23 28 1 29 24 29 1 30 24 30 1 31 24 31 1 32 32 33 1 33 32 40 1 34 33 36 1 35 33 34 1 36 33 41 1 37 34 35 2 38 34 51 am 39 36 37 1 40 36 42 1 41 36 43 1 42 37 38 1 43 37 39 1 44 37 44 1 45 38 45 1 46 38 46 1 47 38 47 1 48 39 48 1 49 39 49 1 50 39 50 1 51 51 52 1 52 51 58 1 53 52 55 1 54 52 53 1 55 52 59 1 56 53 54 2 57 53 67 am 58 55 56 1 59 55 57 1 60 55 60 1 61 56 61 1 62 56 62 1 63 56 63 1 64 57 64 1 65 57 65 1 66 57 66 1 67 67 68 1 68 67 78 1 69 68 71 1 70 68 69 1 71 68 79 1 72 69 70 2 73 69 91 am 74 71 72 1 75 71 80 1 76 71 81 1 77 72 73 1 78 72 82 1 79 72 83 1 80 73 74 1 81 73 84 1 82 73 85 1 83 74 75 ar 84 74 86 1 85 75 76 ar 86 75 77 ar 87 76 87 1 88 76 88 1 89 77 89 1 90 77 90 1 91 91 97 1 92 91 92 1 93 92 95 1 94 92 93 1 95 92 98 1 96 93 94 2 97 93 105 am 98 95 96 1 99 95 99 1 100 95 100 1 101 96 97 1 102 96 101 1 103 96 102 1 104 97 103 1 105 97 104 1 106 105 106 1 107 105 114 1 108 106 109 1 109 106 107 1 110 106 115 1 111 107 108 2 112 107 127 am 113 109 110 1 114 109 116 1 115 109 117 1 116 110 111 1 117 110 118 1 118 110 119 1 119 111 112 1 120 111 120 1 121 111 121 1 122 112 113 1 123 112 122 1 124 112 123 1 125 113 124 1 126 113 125 1 127 113 126 1 128 127 138 1 129 127 128 1 130 128 132 1 131 128 130 1 132 128 129 1 133 130 131 2 134 130 141 am 135 132 135 1 136 132 133 1 137 132 134 1 138 135 138 1 139 135 136 1 140 135 137 1 141 138 139 1 142 138 140 1 143 141 142 1 144 141 149 1 145 142 145 1 146 142 143 1 147 142 150 1 148 143 144 2 149 143 160 am 150 145 146 1 151 145 151 1 152 145 152 1 153 146 147 1 154 146 148 1 155 146 153 1 156 147 154 1 157 147 155 1 158 147 156 1 159 148 157 1 160 148 158 1 161 148 159 1 162 160 161 1 163 160 168 1 164 161 164 1 165 161 162 1 166 161 169 1 167 162 163 2 168 162 179 am 169 164 165 1 170 164 170 1 171 164 171 1 172 165 166 1 173 165 167 1 174 165 172 1 175 166 173 1 176 166 174 1 177 166 175 1 178 167 176 1 179 167 177 1 180 167 178 1 181 179 180 1 182 179 187 1 183 180 183 1 184 180 181 1 185 180 188 1 186 181 182 2 187 181 198 am 188 183 184 1 189 183 189 1 190 183 190 1 191 184 185 1 192 184 186 1 193 184 191 1 194 185 192 1 195 185 193 1 196 185 194 1 197 186 195 1 198 186 196 1 199 186 197 1 200 198 199 1 201 198 207 1 202 199 202 1 203 199 200 1 204 199 208 1 205 200 201 2 206 200 220 am 207 202 203 1 208 202 209 1 209 202 210 1 210 203 204 1 211 203 211 1 212 203 212 1 213 204 205 1 214 204 213 1 215 204 214 1 216 205 206 1 217 205 215 1 218 205 216 1 219 206 217 1 220 206 218 1 221 206 219 1 222 220 221 1 223 220 228 1 224 221 224 1 225 221 222 1 226 221 229 1 227 222 223 2 228 222 239 am 229 224 225 1 230 224 230 1 231 224 231 1 232 225 226 1 233 225 227 1 234 225 232 1 235 226 233 1 236 226 234 1 237 226 235 1 238 227 236 1 239 227 237 1 240 227 238 1 241 239 240 1 242 239 247 1 243 240 243 1 244 240 241 1 245 240 248 1 246 241 242 2 247 241 258 am 248 243 244 1 249 243 249 1 250 243 250 1 251 244 245 1 252 244 246 1 253 244 251 1 254 245 252 1 255 245 253 1 256 245 254 1 257 246 255 1 258 246 256 1 259 246 257 1 260 258 259 1 261 258 267 1 262 259 262 1 263 259 260 1 264 259 268 1 265 260 261 2 266 260 280 am 267 262 263 1 268 262 269 1 269 262 270 1 270 263 264 1 271 263 271 1 272 263 272 1 273 264 265 1 274 264 273 1 275 264 274 1 276 265 266 1 277 265 275 1 278 265 276 1 279 266 277 1 280 266 278 1 281 266 279 1 282 280 281 1 283 280 286 1 284 281 284 1 285 281 282 1 286 281 287 1 287 282 283 2 288 282 291 am 289 284 285 1 290 284 288 1 291 284 289 1 292 285 290 1 293 291 292 1 294 291 298 1 295 292 295 1 296 292 293 1 297 292 299 1 298 293 294 2 299 293 307 am 300 295 296 1 301 295 297 1 302 295 300 1 303 296 301 1 304 296 302 1 305 296 303 1 306 297 304 1 307 297 305 1 308 297 306 1 309 307 308 1 310 307 311 1 311 308 309 1 312 308 312 1 313 308 313 1 314 309 310 2 315 309 314 am 316 314 315 1 317 314 319 1 318 315 318 1 319 315 316 1 320 315 320 1 321 316 317 2 322 316 324 am 323 318 321 1 324 318 322 1 325 318 323 1 326 324 325 1 327 324 333 1 328 325 328 1 329 325 326 1 330 325 334 1 331 326 327 2 332 326 341 am 333 328 329 1 334 328 335 1 335 328 336 1 336 329 330 1 337 329 337 1 338 329 338 1 339 330 331 2 340 330 332 am 341 332 339 1 342 332 340 1 343 341 342 1 344 341 350 1 345 342 345 1 346 342 343 1 347 342 351 1 348 343 344 2 349 343 363 am 350 345 346 1 351 345 352 1 352 345 353 1 353 346 347 1 354 346 354 1 355 346 355 1 356 347 348 1 357 347 356 1 358 347 357 1 359 348 349 1 360 348 358 1 361 348 359 1 362 349 360 1 363 349 361 1 364 349 362 1 365 363 364 1 366 363 371 1 367 364 367 1 368 364 365 1 369 364 372 1 370 365 366 2 371 365 375 am 372 367 368 1 373 367 373 1 374 367 374 1 375 368 369 ar 376 368 370 ar 377 375 376 1 378 375 382 1 379 376 379 1 380 376 377 1 381 376 383 1 382 377 378 2 383 377 389 am 384 379 381 1 385 379 380 1 386 379 384 1 387 380 385 1 388 381 386 1 389 381 387 1 390 381 388 1 391 389 390 1 392 389 401 1 393 390 393 1 394 390 391 1 395 390 402 1 396 391 392 2 397 391 410 am 398 393 394 1 399 393 403 1 400 393 404 1 401 394 395 ar 402 394 396 ar 403 395 397 ar 404 395 405 1 405 396 398 ar 406 396 406 1 407 397 399 ar 408 397 407 1 409 398 399 ar 410 398 408 1 411 399 400 1 412 400 409 1 413 410 411 1 414 410 417 1 415 411 414 1 416 411 412 1 417 411 418 1 418 412 413 2 419 412 424 am 420 414 416 1 421 414 415 1 422 414 419 1 423 415 420 1 424 416 421 1 425 416 422 1 426 416 423 1 427 424 425 1 428 424 432 1 429 425 428 1 430 425 426 1 431 425 433 1 432 426 427 2 433 426 441 am 434 428 429 1 435 428 434 1 436 428 435 1 437 429 430 1 438 429 436 1 439 429 437 1 440 430 431 1 441 431 438 1 442 431 439 1 443 431 440 1 444 441 442 1 445 441 450 1 446 442 445 1 447 442 443 1 448 442 451 1 449 443 444 2 450 443 463 am 451 445 446 1 452 445 452 1 453 445 453 1 454 446 447 1 455 446 454 1 456 446 455 1 457 447 448 1 458 447 456 1 459 447 457 1 460 448 449 1 461 448 458 1 462 448 459 1 463 449 460 1 464 449 461 1 465 449 462 1 466 463 464 1 467 463 472 1 468 464 467 1 469 464 465 1 470 464 473 1 471 465 466 2 472 465 478 am 473 467 468 1 474 467 474 1 475 467 475 1 476 468 469 1 477 468 476 1 478 468 477 1 479 469 470 ar 480 469 471 ar 481 478 479 1 482 478 485 1 483 479 482 1 484 479 480 1 485 479 486 1 486 480 481 2 487 480 494 am 488 482 483 1 489 482 484 1 490 482 487 1 491 483 488 1 492 483 489 1 493 483 490 1 494 484 491 1 495 484 492 1 496 484 493 1 497 494 495 1 498 494 502 1 499 495 498 1 500 495 496 1 501 495 503 1 502 496 497 2 503 496 513 am 504 498 499 1 505 498 504 1 506 498 505 1 507 499 500 1 508 499 501 1 509 499 506 1 510 500 507 1 511 500 508 1 512 500 509 1 513 501 510 1 514 501 511 1 515 501 512 1 516 513 514 1 517 513 524 1 518 514 517 1 519 514 515 1 520 514 525 1 521 515 516 2 522 515 533 am 523 517 518 1 524 517 526 1 525 517 527 1 526 518 519 ar 527 518 520 ar 528 519 521 ar 529 519 528 1 530 520 522 ar 531 520 529 1 532 521 523 ar 533 521 530 1 534 522 523 ar 535 522 531 1 536 523 532 1 537 533 534 1 538 533 545 1 539 534 537 1 540 534 535 1 541 534 546 1 542 535 536 2 543 535 554 am 544 537 538 1 545 537 547 1 546 537 548 1 547 538 539 ar 548 538 540 ar 549 539 541 ar 550 539 549 1 551 540 542 ar 552 540 550 1 553 541 543 ar 554 541 551 1 555 542 543 ar 556 542 552 1 557 543 544 1 558 544 553 1 559 554 555 1 560 554 562 1 561 555 558 1 562 555 556 1 563 555 563 1 564 556 557 2 565 556 573 am 566 558 559 1 567 558 564 1 568 558 565 1 569 559 560 1 570 559 561 1 571 559 566 1 572 560 567 1 573 560 568 1 574 560 569 1 575 561 570 1 576 561 571 1 577 561 572 1 578 573 574 1 579 573 577 1 580 574 575 1 581 574 578 1 582 574 579 1 583 575 576 2 584 575 580 am 585 580 581 1 586 580 589 1 587 581 584 1 588 581 582 1 589 581 590 1 590 582 583 2 591 582 597 am 592 584 585 1 593 584 591 1 594 584 592 1 595 585 586 1 596 585 593 1 597 585 594 1 598 586 587 2 599 586 588 am 600 588 595 1 601 588 596 1 602 597 598 1 603 597 609 1 604 598 601 1 605 598 599 1 606 598 610 1 607 599 600 2 608 599 618 am 609 601 602 1 610 601 611 1 611 601 612 1 612 602 603 ar 613 602 604 ar 614 603 605 ar 615 603 613 1 616 604 606 ar 617 604 614 1 618 605 607 ar 619 605 615 1 620 606 607 ar 621 606 616 1 622 607 608 1 623 608 617 1 624 618 619 1 625 618 626 1 626 619 622 1 627 619 620 1 628 619 627 1 629 620 621 2 630 620 637 am 631 622 624 1 632 622 623 1 633 622 628 1 634 623 625 1 635 623 629 1 636 623 630 1 637 624 631 1 638 624 632 1 639 624 633 1 640 625 634 1 641 625 635 1 642 625 636 1 643 637 638 1 644 637 645 1 645 638 641 1 646 638 639 1 647 638 646 1 648 639 640 2 649 639 654 am 650 641 642 1 651 641 647 1 652 641 648 1 653 642 643 1 654 642 649 1 655 642 650 1 656 643 644 1 657 644 651 1 658 644 652 1 659 644 653 1 660 654 655 1 661 654 661 1 662 655 658 1 663 655 656 1 664 655 662 1 665 656 657 2 666 656 668 am 667 658 660 1 668 658 659 1 669 658 663 1 670 659 664 1 671 660 665 1 672 660 666 1 673 660 667 1 674 668 669 1 675 668 677 1 676 669 672 1 677 669 670 1 678 669 678 1 679 670 671 2 680 670 690 am 681 672 673 1 682 672 679 1 683 672 680 1 684 673 674 1 685 673 681 1 686 673 682 1 687 674 675 1 688 674 683 1 689 674 684 1 690 675 676 1 691 675 685 1 692 675 686 1 693 676 687 1 694 676 688 1 695 676 689 1 696 690 691 1 697 690 701 1 698 691 694 1 699 691 692 1 700 691 702 1 701 692 693 2 702 692 714 am 703 694 695 1 704 694 703 1 705 694 704 1 706 695 696 1 707 695 705 1 708 695 706 1 709 696 697 1 710 696 707 1 711 696 708 1 712 697 698 ar 713 697 709 1 714 698 699 ar 715 698 700 ar 716 699 710 1 717 699 711 1 718 700 712 1 719 700 713 1 720 714 715 1 721 714 722 1 722 715 718 1 723 715 716 1 724 715 723 1 725 716 717 2 726 716 733 am 727 718 719 1 728 718 724 1 729 718 725 1 730 719 720 1 731 719 721 1 732 719 726 1 733 720 727 1 734 720 728 1 735 720 729 1 736 721 730 1 737 721 731 1 738 721 732 1 739 733 734 1 740 733 745 1 741 734 737 1 742 734 735 1 743 734 746 1 744 735 736 2 745 735 754 am 746 737 738 1 747 737 747 1 748 737 748 1 749 738 739 ar 750 738 740 ar 751 739 741 ar 752 739 749 1 753 740 742 ar 754 740 750 1 755 741 743 ar 756 741 751 1 757 742 743 ar 758 742 752 1 759 743 744 1 760 744 753 1 761 754 755 1 762 754 762 1 763 755 758 1 764 755 756 1 765 755 763 1 766 756 757 2 767 756 766 am 768 758 759 1 769 758 764 1 770 758 765 1 771 759 760 ar 772 759 761 ar 773 766 767 1 774 766 775 1 775 767 770 1 776 767 768 1 777 767 776 1 778 768 769 2 779 768 781 am 780 770 771 1 781 770 777 1 782 770 778 1 783 771 772 1 784 771 779 1 785 771 780 1 786 772 773 ar 787 772 774 ar 788 781 782 1 789 781 790 1 790 782 785 1 791 782 783 1 792 782 791 1 793 783 784 2 794 783 803 am 795 785 786 1 796 785 792 1 797 785 793 1 798 786 787 1 799 786 794 1 800 786 795 1 801 787 788 1 802 787 796 1 803 787 797 1 804 788 789 1 805 788 798 1 806 788 799 1 807 789 800 1 808 789 801 1 809 789 802 1 810 803 804 1 811 803 812 1 812 804 807 1 813 804 805 1 814 804 813 1 815 805 806 2 816 805 820 am 817 807 808 1 818 807 814 1 819 807 815 1 820 808 809 1 821 808 816 1 822 808 817 1 823 809 810 2 824 809 811 am 825 811 818 1 826 811 819 1 827 820 821 1 828 820 829 1 829 821 824 1 830 821 822 1 831 821 830 1 832 822 823 2 833 822 837 am 834 824 825 1 835 824 831 1 836 824 832 1 837 825 826 1 838 825 833 1 839 825 834 1 840 826 827 2 841 826 828 am 842 828 835 1 843 828 836 1 844 837 838 1 845 837 847 1 846 838 841 1 847 838 839 1 848 838 848 1 849 839 840 2 850 839 854 am 851 841 842 1 852 841 849 1 853 841 850 1 854 842 843 ar 855 842 844 ar 856 843 845 ar 857 844 846 ar 858 844 851 1 859 845 846 ar 860 845 852 1 861 846 853 1 862 854 855 1 863 854 862 1 864 855 858 1 865 855 856 1 866 855 863 1 867 856 857 2 868 856 873 am 869 858 860 1 870 858 859 1 871 858 864 1 872 859 861 1 873 859 865 1 874 859 866 1 875 860 867 1 876 860 868 1 877 860 869 1 878 861 870 1 879 861 871 1 880 861 872 1 881 873 874 1 882 873 880 1 883 874 877 1 884 874 875 1 885 874 881 1 886 875 876 2 887 875 889 am 888 877 878 1 889 877 879 1 890 877 882 1 891 878 883 1 892 878 884 1 893 878 885 1 894 879 886 1 895 879 887 1 896 879 888 1 897 889 890 1 898 889 901 1 899 890 893 1 900 890 891 1 901 890 902 1 902 891 892 2 903 891 910 am 904 893 894 1 905 893 903 1 906 893 904 1 907 894 895 ar 908 894 896 ar 909 895 897 ar 910 895 905 1 911 896 898 ar 912 896 906 1 913 897 899 ar 914 897 907 1 915 898 899 ar 916 898 908 1 917 899 900 1 918 900 909 1 919 910 911 1 920 910 916 1 921 911 914 1 922 911 912 1 923 911 917 1 924 912 913 2 925 912 921 am 926 914 915 1 927 914 918 1 928 914 919 1 929 915 920 1 930 921 922 1 931 921 927 1 932 922 925 1 933 922 923 1 934 922 928 1 935 923 924 2 936 923 932 am 937 925 926 1 938 925 929 1 939 925 930 1 940 926 931 1 941 932 933 1 942 932 940 1 943 933 936 1 944 933 934 1 945 933 941 1 946 934 935 2 947 934 946 am 948 936 937 1 949 936 942 1 950 936 943 1 951 937 938 2 952 937 939 am 953 939 944 1 954 939 945 1 955 946 947 1 956 946 954 1 957 947 950 1 958 947 948 1 959 947 955 1 960 948 949 2 961 948 958 am 962 950 951 1 963 950 956 1 964 950 957 1 965 951 952 ar 966 951 953 ar 967 958 959 1 968 958 966 1 969 959 962 1 970 959 960 1 971 959 967 1 972 960 961 2 973 960 977 am 974 962 963 1 975 962 968 1 976 962 969 1 977 963 964 1 978 963 965 1 979 963 970 1 980 964 971 1 981 964 972 1 982 964 973 1 983 965 974 1 984 965 975 1 985 965 976 1 986 977 978 1 987 977 985 1 988 978 981 1 989 978 979 1 990 978 986 1 991 979 980 2 992 979 996 am 993 981 982 1 994 981 987 1 995 981 988 1 996 982 983 1 997 982 984 1 998 982 989 1 999 983 990 1 1000 983 991 1 1001 983 992 1 1002 984 993 1 1003 984 994 1 1004 984 995 1 1005 996 997 1 1006 996 1000 1 1007 997 998 1 1008 997 1001 1 1009 997 1002 1 1010 998 999 2 1011 998 1003 am 1012 1003 1004 1 1013 1003 1011 1 1014 1004 1007 1 1015 1004 1005 1 1016 1004 1012 1 1017 1005 1006 2 1018 1005 1015 am 1019 1007 1008 1 1020 1007 1013 1 1021 1007 1014 1 1022 1008 1009 ar 1023 1008 1010 ar 1024 1015 1016 1 1025 1015 1023 1 1026 1016 1019 1 1027 1016 1017 1 1028 1016 1024 1 1029 1017 1018 2 1030 1017 1034 am 1031 1019 1020 1 1032 1019 1025 1 1033 1019 1026 1 1034 1020 1021 1 1035 1020 1022 1 1036 1020 1027 1 1037 1021 1028 1 1038 1021 1029 1 1039 1021 1030 1 1040 1022 1031 1 1041 1022 1032 1 1042 1022 1033 1 1043 1034 1035 1 1044 1034 1045 1 1045 1035 1038 1 1046 1035 1036 1 1047 1035 1046 1 1048 1036 1037 2 1049 1036 1054 am 1050 1038 1039 1 1051 1038 1047 1 1052 1038 1048 1 1053 1039 1040 ar 1054 1039 1041 ar 1055 1040 1042 ar 1056 1040 1049 1 1057 1041 1043 ar 1058 1041 1050 1 1059 1042 1044 ar 1060 1042 1051 1 1061 1043 1044 ar 1062 1043 1052 1 1063 1044 1053 1 1064 1054 1055 1 1065 1054 1058 1 1066 1055 1056 1 1067 1055 1059 1 1068 1055 1060 1 1069 1056 1057 2 1070 1056 1061 am 1071 1061 1062 1 1072 1061 1068 1 1073 1062 1065 1 1074 1062 1063 1 1075 1062 1069 1 1076 1063 1064 2 1077 1063 1077 am 1078 1065 1066 1 1079 1065 1067 1 1080 1065 1070 1 1081 1066 1071 1 1082 1066 1072 1 1083 1066 1073 1 1084 1067 1074 1 1085 1067 1075 1 1086 1067 1076 1 1087 1077 1083 1 1088 1077 1078 1 1089 1078 1081 1 1090 1078 1079 1 1091 1078 1084 1 1092 1079 1080 2 1093 1079 1091 am 1094 1081 1082 1 1095 1081 1085 1 1096 1081 1086 1 1097 1082 1083 1 1098 1082 1087 1 1099 1082 1088 1 1100 1083 1089 1 1101 1083 1090 1 1102 1091 1092 1 1103 1091 1097 1 1104 1092 1095 1 1105 1092 1093 1 1106 1092 1098 1 1107 1093 1094 2 1108 1093 1102 am 1109 1095 1096 1 1110 1095 1099 1 1111 1095 1100 1 1112 1096 1101 1 1113 1102 1103 1 1114 1102 1113 1 1115 1103 1106 1 1116 1103 1104 1 1117 1103 1114 1 1118 1104 1105 2 1119 1104 1122 am 1120 1106 1107 1 1121 1106 1115 1 1122 1106 1116 1 1123 1107 1108 ar 1124 1107 1109 ar 1125 1108 1110 ar 1126 1108 1117 1 1127 1109 1111 ar 1128 1109 1118 1 1129 1110 1112 ar 1130 1110 1119 1 1131 1111 1112 ar 1132 1111 1120 1 1133 1112 1121 1 1134 1122 1123 1 1135 1122 1128 1 1136 1123 1126 1 1137 1123 1124 1 1138 1123 1129 1 1139 1124 1125 2 1140 1124 1133 am 1141 1126 1127 1 1142 1126 1130 1 1143 1126 1131 1 1144 1127 1132 1 1145 1133 1134 1 1146 1133 1140 1 1147 1134 1137 1 1148 1134 1135 1 1149 1134 1141 1 1150 1135 1136 2 1151 1135 1149 am 1152 1137 1138 1 1153 1137 1139 1 1154 1137 1142 1 1155 1138 1143 1 1156 1138 1144 1 1157 1138 1145 1 1158 1139 1146 1 1159 1139 1147 1 1160 1139 1148 1 1161 1149 1150 1 1162 1149 1158 1 1163 1150 1153 1 1164 1150 1151 1 1165 1150 1159 1 1166 1151 1152 2 1167 1151 1171 am 1168 1153 1154 1 1169 1153 1160 1 1170 1153 1161 1 1171 1154 1155 1 1172 1154 1162 1 1173 1154 1163 1 1174 1155 1156 1 1175 1155 1164 1 1176 1155 1165 1 1177 1156 1157 1 1178 1156 1166 1 1179 1156 1167 1 1180 1157 1168 1 1181 1157 1169 1 1182 1157 1170 1 1183 1171 1172 1 1184 1171 1180 1 1185 1172 1175 1 1186 1172 1173 1 1187 1172 1181 1 1188 1173 1174 2 1189 1173 1186 am 1190 1175 1176 1 1191 1175 1182 1 1192 1175 1183 1 1193 1176 1177 1 1194 1176 1184 1 1195 1176 1185 1 1196 1177 1178 ar 1197 1177 1179 ar 1198 1186 1187 1 1199 1186 1196 1 1200 1187 1190 1 1201 1187 1188 1 1202 1187 1197 1 1203 1188 1189 2 1204 1188 1203 am 1205 1190 1191 1 1206 1190 1198 1 1207 1190 1199 1 1208 1191 1192 ar 1209 1191 1193 ar 1210 1192 1194 ar 1211 1193 1195 ar 1212 1193 1200 1 1213 1194 1195 ar 1214 1194 1201 1 1215 1195 1202 1 1216 1203 1204 1 1217 1203 1214 1 1218 1204 1207 1 1219 1204 1205 1 1220 1204 1215 1 1221 1205 1206 2 1222 1205 1227 am 1223 1207 1208 1 1224 1207 1216 1 1225 1207 1217 1 1226 1208 1209 1 1227 1208 1218 1 1228 1208 1219 1 1229 1209 1210 1 1230 1209 1220 1 1231 1209 1221 1 1232 1210 1211 ar 1233 1210 1222 1 1234 1211 1212 ar 1235 1211 1213 ar 1236 1212 1223 1 1237 1212 1224 1 1238 1213 1225 1 1239 1213 1226 1 1240 1227 1228 1 1241 1227 1236 1 1242 1228 1231 1 1243 1228 1229 1 1244 1228 1237 1 1245 1229 1230 2 1246 1229 1249 am 1247 1231 1232 1 1248 1231 1238 1 1249 1231 1239 1 1250 1232 1233 1 1251 1232 1240 1 1252 1232 1241 1 1253 1233 1234 1 1254 1233 1242 1 1255 1233 1243 1 1256 1234 1235 1 1257 1234 1244 1 1258 1234 1245 1 1259 1235 1246 1 1260 1235 1247 1 1261 1235 1248 1 1262 1249 1250 1 1263 1249 1257 1 1264 1250 1253 1 1265 1250 1251 1 1266 1250 1258 1 1267 1251 1252 2 1268 1251 1268 am 1269 1253 1255 1 1270 1253 1254 1 1271 1253 1259 1 1272 1254 1256 1 1273 1254 1260 1 1274 1254 1261 1 1275 1255 1262 1 1276 1255 1263 1 1277 1255 1264 1 1278 1256 1265 1 1279 1256 1266 1 1280 1256 1267 1 1281 1268 1269 1 1282 1268 1280 1 1283 1269 1272 1 1284 1269 1270 1 1285 1269 1281 1 1286 1270 1271 2 1287 1270 1289 am 1288 1272 1273 1 1289 1272 1282 1 1290 1272 1283 1 1291 1273 1274 ar 1292 1273 1275 ar 1293 1274 1276 ar 1294 1274 1284 1 1295 1275 1277 ar 1296 1275 1285 1 1297 1276 1278 ar 1298 1276 1286 1 1299 1277 1278 ar 1300 1277 1287 1 1301 1278 1279 1 1302 1279 1288 1 1303 1289 1290 1 1304 1289 1296 1 1305 1290 1293 1 1306 1290 1291 1 1307 1290 1297 1 1308 1291 1292 2 1309 1291 1303 am 1310 1293 1295 1 1311 1293 1294 1 1312 1293 1298 1 1313 1294 1299 1 1314 1295 1300 1 1315 1295 1301 1 1316 1295 1302 1 1317 1303 1304 1 1318 1303 1311 1 1319 1304 1307 1 1320 1304 1305 1 1321 1304 1312 1 1322 1305 1306 2 1323 1305 1320 am 1324 1307 1308 1 1325 1307 1313 1 1326 1307 1314 1 1327 1308 1309 1 1328 1308 1315 1 1329 1308 1316 1 1330 1309 1310 1 1331 1310 1317 1 1332 1310 1318 1 1333 1310 1319 1 1334 1320 1321 1 1335 1320 1328 1 1336 1321 1324 1 1337 1321 1322 1 1338 1321 1329 1 1339 1322 1323 2 1340 1322 1339 am 1341 1324 1326 1 1342 1324 1325 1 1343 1324 1330 1 1344 1325 1327 1 1345 1325 1331 1 1346 1325 1332 1 1347 1326 1333 1 1348 1326 1334 1 1349 1326 1335 1 1350 1327 1336 1 1351 1327 1337 1 1352 1327 1338 1 1353 1339 1340 1 1354 1339 1351 1 1355 1340 1343 1 1356 1340 1341 1 1357 1340 1352 1 1358 1341 1342 2 1359 1341 1360 am 1360 1343 1344 1 1361 1343 1353 1 1362 1343 1354 1 1363 1344 1345 ar 1364 1344 1346 ar 1365 1345 1347 ar 1366 1345 1355 1 1367 1346 1348 ar 1368 1346 1356 1 1369 1347 1349 ar 1370 1347 1357 1 1371 1348 1349 ar 1372 1348 1358 1 1373 1349 1350 1 1374 1350 1359 1 1375 1360 1361 1 1376 1360 1371 1 1377 1361 1364 1 1378 1361 1362 1 1379 1361 1372 1 1380 1362 1363 2 1381 1362 1384 am 1382 1364 1365 1 1383 1364 1373 1 1384 1364 1374 1 1385 1365 1366 1 1386 1365 1375 1 1387 1365 1376 1 1388 1366 1367 1 1389 1366 1377 1 1390 1366 1378 1 1391 1367 1368 ar 1392 1367 1379 1 1393 1368 1369 ar 1394 1368 1370 ar 1395 1369 1380 1 1396 1369 1381 1 1397 1370 1382 1 1398 1370 1383 1 1399 1384 1385 1 1400 1384 1392 1 1401 1385 1388 1 1402 1385 1386 1 1403 1385 1393 1 1404 1386 1387 2 1405 1386 1398 am 1406 1388 1389 1 1407 1388 1394 1 1408 1388 1395 1 1409 1389 1390 2 1410 1389 1391 am 1411 1391 1396 1 1412 1391 1397 1 1413 1398 1399 1 1414 1398 1406 1 1415 1399 1402 1 1416 1399 1400 1 1417 1399 1407 1 1418 1400 1401 2 1419 1400 1417 am 1420 1402 1403 1 1421 1402 1408 1 1422 1402 1409 1 1423 1403 1404 1 1424 1403 1405 1 1425 1403 1410 1 1426 1404 1411 1 1427 1404 1412 1 1428 1404 1413 1 1429 1405 1414 1 1430 1405 1415 1 1431 1405 1416 1 1432 1417 1418 1 1433 1417 1424 1 1434 1418 1421 1 1435 1418 1419 1 1436 1418 1425 1 1437 1419 1420 2 1438 1419 1433 am 1439 1421 1422 1 1440 1421 1423 1 1441 1421 1426 1 1442 1422 1427 1 1443 1422 1428 1 1444 1422 1429 1 1445 1423 1430 1 1446 1423 1431 1 1447 1423 1432 1 1448 1433 1434 1 1449 1433 1440 1 1450 1434 1437 1 1451 1434 1435 1 1452 1434 1441 1 1453 1435 1436 2 1454 1435 1449 am 1455 1437 1438 1 1456 1437 1439 1 1457 1437 1442 1 1458 1438 1443 1 1459 1438 1444 1 1460 1438 1445 1 1461 1439 1446 1 1462 1439 1447 1 1463 1439 1448 1 1464 1449 1450 1 1465 1449 1456 1 1466 1450 1453 1 1467 1450 1451 1 1468 1450 1457 1 1469 1451 1465 am 1470 1451 1452 2 1471 1453 1454 1 1472 1453 1455 1 1473 1453 1458 1 1474 1454 1459 1 1475 1454 1460 1 1476 1454 1461 1 1477 1455 1462 1 1478 1455 1463 1 1479 1455 1464 1 1480 1465 1466 1 1481 1465 1473 1 1482 1466 1469 1 1483 1466 1467 1 1484 1466 1474 1 1485 1467 1468 2 1486 1467 1475 1 1487 1469 1470 1 1488 1469 1476 1 1489 1469 1477 1 1490 1470 1471 2 1491 1470 1472 am 1492 1472 1478 1 1493 1472 1479 1 @SUBSTRUCTURE 1 GLU1 2 RESIDUE 1 A GLU 1 ROOT 2 THR2 19 RESIDUE 1 A THR 2 3 LEU3 33 RESIDUE 1 A LEU 2 4 VAL4 52 RESIDUE 1 A VAL 2 5 ARG5 68 RESIDUE 1 A ARG 2 6 PRO6 92 RESIDUE 1 A PRO 2 7 LYS7 106 RESIDUE 1 A LYS 2 8 PRO8 128 RESIDUE 1 A PRO 2 9 LEU9 142 RESIDUE 1 A LEU 2 10 LEU10 161 RESIDUE 1 A LEU 2 11 LEU11 180 RESIDUE 1 A LEU 2 12 LYS12 199 RESIDUE 1 A LYS 2 13 LEU13 221 RESIDUE 1 A LEU 2 14 LEU14 240 RESIDUE 1 A LEU 2 15 LYS15 259 RESIDUE 1 A LYS 2 16 SER16 281 RESIDUE 1 A SER 2 17 VAL17 292 RESIDUE 1 A VAL 2 18 GLY18 308 RESIDUE 1 A GLY 2 19 ALA19 315 RESIDUE 1 A ALA 2 20 GLN20 325 RESIDUE 1 A GLN 2 21 LYS21 342 RESIDUE 1 A LYS 2 22 ASP22 364 RESIDUE 1 A ASP 2 23 THR23 376 RESIDUE 1 A THR 2 24 TYR24 390 RESIDUE 1 A TYR 2 25 THR25 411 RESIDUE 1 A THR 2 26 MET26 425 RESIDUE 1 A MET 2 27 LYS27 442 RESIDUE 1 A LYS 2 28 GLU28 464 RESIDUE 1 A GLU 2 29 VAL29 479 RESIDUE 1 A VAL 2 30 LEU30 495 RESIDUE 1 A LEU 2 31 PHE31 514 RESIDUE 1 A PHE 2 32 TYR32 534 RESIDUE 1 A TYR 2 33 LEU33 555 RESIDUE 1 A LEU 2 34 GLY34 574 RESIDUE 1 A GLY 2 35 GLN35 581 RESIDUE 1 A GLN 2 36 TYR36 598 RESIDUE 1 A TYR 2 37 ILE37 619 RESIDUE 1 A ILE 2 38 MET38 638 RESIDUE 1 A MET 2 39 THR39 655 RESIDUE 1 A THR 2 40 LYS40 669 RESIDUE 1 A LYS 2 41 ARG41 691 RESIDUE 1 A ARG 2 42 LEU42 715 RESIDUE 1 A LEU 2 43 TYR43 734 RESIDUE 1 A TYR 2 44 ASP44 755 RESIDUE 1 A ASP 2 45 GLU45 767 RESIDUE 1 A GLU 2 46 LYS46 782 RESIDUE 1 A LYS 2 47 GLN47 804 RESIDUE 1 A GLN 2 48 GLN48 821 RESIDUE 1 A GLN 2 49 HIS49 838 RESIDUE 1 A HIS 2 50 ILE50 855 RESIDUE 1 A ILE 2 51 VAL51 874 RESIDUE 1 A VAL 2 52 TYR52 890 RESIDUE 1 A TYR 2 53 CYS53 911 RESIDUE 1 A CYS 2 54 SER54 922 RESIDUE 1 A SER 2 55 ASN55 933 RESIDUE 1 A ASN 2 56 ASP56 947 RESIDUE 1 A ASP 2 57 LEU57 959 RESIDUE 1 A LEU 2 58 LEU58 978 RESIDUE 1 A LEU 2 59 GLY59 997 RESIDUE 1 A GLY 2 60 ASP60 1004 RESIDUE 1 A ASP 2 61 LEU61 1016 RESIDUE 1 A LEU 2 62 PHE62 1035 RESIDUE 1 A PHE 2 63 GLY63 1055 RESIDUE 1 A GLY 2 64 VAL64 1062 RESIDUE 1 A VAL 2 65 PRO65 1078 RESIDUE 1 A PRO 2 66 SER66 1092 RESIDUE 1 A SER 2 67 PHE67 1103 RESIDUE 1 A PHE 2 68 SER68 1123 RESIDUE 1 A SER 2 69 VAL69 1134 RESIDUE 1 A VAL 2 70 LYS70 1150 RESIDUE 1 A LYS 2 71 GLU71 1172 RESIDUE 1 A GLU 2 72 HIS72 1187 RESIDUE 1 A HIS 2 73 ARG73 1204 RESIDUE 1 A ARG 2 74 LYS74 1228 RESIDUE 1 A LYS 2 75 ILE75 1250 RESIDUE 1 A ILE 2 76 TYR76 1269 RESIDUE 1 A TYR 2 77 THR77 1290 RESIDUE 1 A THR 2 78 MET78 1304 RESIDUE 1 A MET 2 79 ILE79 1321 RESIDUE 1 A ILE 2 80 TYR80 1340 RESIDUE 1 A TYR 2 81 ARG81 1361 RESIDUE 1 A ARG 2 82 ASN82 1385 RESIDUE 1 A ASN 2 83 LEU83 1399 RESIDUE 1 A LEU 2 84 VAL84 1418 RESIDUE 1 A VAL 2 85 VAL85 1434 RESIDUE 1 A VAL 2 86 VAL86 1450 RESIDUE 1 A VAL 2 87 ASN87 1466 RESIDUE 1 A ASN 1