#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 5wpb_min 1527 1552 105 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 CA -12.4990 -6.3890 11.2890 C.3 1 GLY1 0.0090 2 HA1 -13.2556 -6.7292 10.5824 H 1 GLY1 0.0319 3 HA2 -12.1465 -5.4028 10.9886 H 1 GLY1 0.0319 4 HA3 -12.9445 -6.3207 12.2811 H 1 GLY1 0.0319 5 C -11.3380 -7.3660 11.3120 C.2 1 GLY1 0.1983 6 O -10.9950 -7.8930 12.3670 O.2 1 GLY1 -0.2798 7 N -10.7480 -7.6340 10.1410 N.am 2 SER2 -0.2452 8 H -11.1230 -7.2120 9.2920 H 2 SER2 0.1312 9 CA -9.5850 -8.5110 10.0390 C.3 2 SER2 0.1111 10 HA -9.0481 -8.4876 10.9879 H 2 SER2 0.0580 11 C -8.6560 -8.0060 8.9230 C.2 2 SER2 0.2236 12 O -9.0880 -7.2360 8.0480 O.2 2 SER2 -0.2775 13 CB -10.1033 -9.9247 9.7114 C.3 2 SER2 0.0681 14 HB1 -10.6801 -10.2887 10.5679 H 2 SER2 0.0577 15 HB2 -9.2728 -10.6192 9.5545 H 2 SER2 0.0577 16 OG -10.9370 -9.8920 8.5579 O.3 2 SER2 -0.3930 17 HG -11.2374 -10.7645 8.3160 H 2 SER2 0.2095 18 N -7.3860 -8.4340 8.9480 N.am 3 PRO3 -0.2315 19 CA -6.5150 -8.0920 7.8200 C.3 3 PRO3 0.0907 20 HA -6.5675 -7.0182 7.6298 H 3 PRO3 0.0559 21 C -6.9130 -8.8610 6.5550 C.2 3 PRO3 0.2189 22 O -7.7660 -9.7620 6.5800 O.2 3 PRO3 -0.2778 23 CB -5.1306 -8.5162 8.3270 C.3 3 PRO3 -0.0276 24 HB1 -4.6585 -7.6672 8.8214 H 3 PRO3 0.0285 25 HB2 -4.4553 -8.8453 7.5365 H 3 PRO3 0.0285 26 CG -5.4085 -9.6067 9.3624 C.3 3 PRO3 -0.0379 27 HG1 -4.6106 -9.7070 10.0973 H 3 PRO3 0.0278 28 HG2 -5.5160 -10.5638 8.8502 H 3 PRO3 0.0278 29 CD -6.7468 -9.2205 9.9969 C.3 3 PRO3 0.0071 30 HD1 -7.3497 -10.0875 10.2597 H 3 PRO3 0.0431 31 HD2 -6.6228 -8.5658 10.8610 H 3 PRO3 0.0431 32 N -6.3260 -8.5000 5.4290 N.am 4 LEU4 -0.2456 33 H -5.7730 -7.6440 5.3930 H 4 LEU4 0.1312 34 CA -6.4690 -9.3280 4.2340 C.3 4 LEU4 0.0883 35 HA -7.5365 -9.4467 4.0569 H 4 LEU4 0.0557 36 C -5.7750 -10.6720 4.4720 C.2 4 LEU4 0.2214 37 O -4.6960 -10.7300 5.0890 O.2 4 LEU4 -0.2776 38 CB -5.7765 -8.6349 3.0444 C.3 4 LEU4 -0.0266 39 HB1 -5.8647 -9.2628 2.1563 H 4 LEU4 0.0287 40 HB2 -4.7069 -8.5576 3.2481 H 4 LEU4 0.0287 41 CG -6.3077 -7.2293 2.7124 C.3 4 LEU4 -0.0449 42 HG -6.1770 -6.5884 3.5848 H 4 LEU4 0.0296 43 CD1 -5.4910 -6.6125 1.5684 C.3 4 LEU4 -0.0626 44 HD11 -5.8527 -5.6156 1.3161 H 4 LEU4 0.0232 45 HD12 -5.5486 -7.2234 0.6670 H 4 LEU4 0.0232 46 HD13 -4.4387 -6.5218 1.8381 H 4 LEU4 0.0232 47 CD2 -7.7998 -7.2474 2.3552 C.3 4 LEU4 -0.0626 48 HD21 -8.1436 -6.2516 2.0743 H 4 LEU4 0.0232 49 HD22 -8.4097 -7.5734 3.1972 H 4 LEU4 0.0232 50 HD23 -7.9951 -7.9160 1.5165 H 4 LEU4 0.0232 51 N -6.3630 -11.7620 3.9620 N.am 5 PRO5 -0.2316 52 CA -5.7200 -13.0730 4.1230 C.3 5 PRO5 0.0907 53 HA -5.3509 -13.1801 5.1439 H 5 PRO5 0.0559 54 C -4.5980 -13.3570 3.1430 C.2 5 PRO5 0.2189 55 O -3.9590 -14.4180 3.2200 O.2 5 PRO5 -0.2778 56 CB -6.8988 -14.0150 3.8469 C.3 5 PRO5 -0.0276 57 HB1 -7.4612 -14.1583 4.7701 H 5 PRO5 0.0285 58 HB2 -6.6059 -15.0041 3.4913 H 5 PRO5 0.0285 59 CG -7.7731 -13.2578 2.8455 C.3 5 PRO5 -0.0379 60 HG1 -8.8090 -13.5969 2.8481 H 5 PRO5 0.0278 61 HG2 -7.3772 -13.4002 1.8392 H 5 PRO5 0.0278 62 CD -7.6331 -11.7877 3.2447 C.3 5 PRO5 0.0071 63 HD1 -7.5866 -11.1118 2.3890 H 5 PRO5 0.0431 64 HD2 -8.4132 -11.4813 3.9439 H 5 PRO5 0.0431 65 N -4.4000 -12.4740 2.1780 N.am 6 TRP6 -0.2453 66 H -4.9880 -11.6410 2.1610 H 6 TRP6 0.1312 67 CA -3.3850 -12.6240 1.1330 C.3 6 TRP6 0.0918 68 HA -2.4537 -12.9120 1.6207 H 6 TRP6 0.0560 69 C -3.2120 -11.2900 0.4680 C.2 6 TRP6 0.2190 70 O -4.1310 -10.4830 0.4540 O.2 6 TRP6 -0.2778 71 CB -3.8726 -13.6986 0.1404 C.3 6 TRP6 -0.0021 72 HB1 -4.7701 -13.3648 -0.3821 H 6 TRP6 0.0334 73 HB2 -4.1523 -14.6051 0.6766 H 6 TRP6 0.0334 74 CG -2.7976 -14.0738 -0.8568 C.ar 6 TRP6 -0.0260 75 CD1 -1.7696 -14.9970 -0.6467 C.ar 6 TRP6 -0.0136 76 HD1 -1.6005 -15.5416 0.2713 H 6 TRP6 0.0748 77 CD2 -2.6494 -13.5929 -2.2080 C.ar 6 TRP6 -0.0028 78 NE1 -1.0153 -15.0875 -1.7698 N.ar 6 TRP6 -0.2641 79 HE1 -0.2284 -15.6610 -1.8770 H 6 TRP6 0.1331 80 CE2 -1.5231 -14.2498 -2.7554 C.ar 6 TRP6 0.0269 81 CE3 -3.3544 -12.6934 -2.9626 C.ar 6 TRP6 -0.0528 82 HE3 -4.2026 -12.1805 -2.5336 H 6 TRP6 0.0624 83 CZ2 -1.1415 -13.9914 -4.0439 C.ar 6 TRP6 -0.0430 84 HZ2 -0.2795 -14.4932 -4.4569 H 6 TRP6 0.0633 85 CZ3 -2.9687 -12.4290 -4.2766 C.ar 6 TRP6 -0.0611 86 HZ3 -3.5205 -11.7130 -4.8678 H 6 TRP6 0.0618 87 CH2 -1.8650 -13.0855 -4.8211 C.ar 6 TRP6 -0.0602 88 HH2 -1.5603 -12.8795 -5.8365 H 6 TRP6 0.0618 89 N -2.0410 -11.0520 -0.1040 N.am 7 CYS7 -0.2452 90 H -1.2370 -11.6370 0.1230 H 7 CYS7 0.1312 91 CA -1.8950 -9.9440 -1.0680 C.3 7 CYS7 0.0874 92 HA -2.8630 -9.8610 -1.6150 H 7 CYS7 0.0562 93 C -0.8420 -10.3140 -2.0930 C.2 7 CYS7 0.2218 94 O -0.0250 -11.2150 -1.8530 O.2 7 CYS7 -0.2776 95 CB -1.6450 -8.5680 -0.3800 C.3 7 CYS7 -0.0997 96 HB1 -2.1160 -8.5580 0.6300 H 7 CYS7 0.0295 97 HB2 -2.1720 -7.7990 -0.9910 H 7 CYS7 0.0295 98 SG 0.0970 -8.0460 -0.2580 S.2 7 CYS7 -0.9301 99 N -0.8520 -9.6340 -3.2470 N.am 8 PRO8 -0.2316 100 CA 0.0630 -10.0160 -4.3350 C.3 8 PRO8 0.0907 101 HA -0.0095 -11.0934 -4.4776 H 8 PRO8 0.0559 102 C 1.5230 -9.6310 -4.1000 C.2 8 PRO8 0.2189 103 O 2.3820 -9.9100 -4.9540 O.2 8 PRO8 -0.2778 104 CB -0.4824 -9.2408 -5.5514 C.3 8 PRO8 -0.0276 105 HB1 -0.5871 -9.8825 -6.4264 H 8 PRO8 0.0285 106 HB2 0.1761 -8.4182 -5.8377 H 8 PRO8 0.0285 107 CG -1.8229 -8.6501 -5.1178 C.3 8 PRO8 -0.0379 108 HG1 -2.6223 -9.3462 -5.3739 H 8 PRO8 0.0278 109 HG2 -2.0447 -7.6990 -5.6025 H 8 PRO8 0.0278 110 CD -1.7389 -8.5260 -3.6004 C.3 8 PRO8 0.0071 111 HD1 -1.2498 -7.6051 -3.2843 H 8 PRO8 0.0431 112 HD2 -2.7255 -8.5967 -3.1492 H 8 PRO8 0.0431 113 N 1.8030 -9.0460 -2.9410 N.am 9 HIS9 -0.2453 114 H 1.0520 -8.8730 -2.2730 H 9 HIS9 0.1312 115 CA 3.1700 -8.6450 -2.6050 C.3 9 HIS9 0.0932 116 HA 3.7580 -8.6890 -3.5510 H 9 HIS9 0.0561 117 C 3.8350 -9.5540 -1.6500 C.2 9 HIS9 0.2190 118 O 5.0220 -9.3780 -1.3720 O.2 9 HIS9 -0.2778 119 CB 3.1900 -7.1710 -2.1390 C.3 9 HIS9 0.0146 120 HB1 4.2280 -6.8190 -1.9370 H 9 HIS9 0.0348 121 HB2 2.6260 -7.1170 -1.1780 H 9 HIS9 0.0348 122 CG 2.4920 -6.2890 -3.1160 C.ar 9 HIS9 0.0551 123 ND1 1.1770 -5.9030 -2.9830 N.ar 9 HIS9 -0.2469 124 CD2 2.9020 -5.8300 -4.3240 C.ar 9 HIS9 0.0047 125 HD2 3.9070 -5.9590 -4.7610 H 9 HIS9 0.0764 126 CE1 0.8160 -5.2310 -4.0670 C.ar 9 HIS9 0.0737 127 HE1 -0.1790 -4.7880 -4.2440 H 9 HIS9 0.0963 128 NE2 1.8460 -5.1760 -4.9070 N.ar 9 HIS9 -0.2539 129 HE2 1.8500 -4.7270 -5.8230 H 9 HIS9 0.1339 130 N 3.1440 -10.5780 -1.1500 N.am 10 LEU10 -0.2456 131 H 2.1580 -10.6860 -1.3860 H 10 LEU10 0.1312 132 CA 3.7870 -11.5450 -0.2680 C.3 10 LEU10 0.0880 133 HA 4.1497 -10.9820 0.5907 H 10 LEU10 0.0557 134 C 4.9970 -12.2150 -0.8870 C.2 10 LEU10 0.2187 135 O 5.9470 -12.5700 -0.1660 O.2 10 LEU10 -0.2778 136 CB 2.7492 -12.5832 0.1954 C.3 10 LEU10 -0.0266 137 HB1 3.2434 -13.4218 0.6887 H 10 LEU10 0.0287 138 HB2 2.2592 -12.9984 -0.6868 H 10 LEU10 0.0287 139 CG 1.6847 -12.0107 1.1541 C.3 10 LEU10 -0.0449 140 HG 1.3075 -11.0718 0.7437 H 10 LEU10 0.0296 141 CD1 0.4920 -12.9643 1.2676 C.3 10 LEU10 -0.0626 142 HD11 -0.2631 -12.5615 1.9422 H 10 LEU10 0.0232 143 HD12 0.7969 -13.9397 1.6468 H 10 LEU10 0.0232 144 HD13 0.0273 -13.1117 0.2938 H 10 LEU10 0.0232 145 CD2 2.2572 -11.7308 2.5521 C.3 10 LEU10 -0.0626 146 HD21 1.4902 -11.3177 3.2076 H 10 LEU10 0.0232 147 HD22 3.0746 -11.0140 2.5190 H 10 LEU10 0.0232 148 HD23 2.6343 -12.6433 3.0147 H 10 LEU10 0.0232 149 N 5.0010 -12.3340 -2.2100 N.am 11 VAL11 -0.2454 150 H 4.1790 -12.0460 -2.7410 H 11 VAL11 0.1312 151 CA 6.1640 -12.8710 -2.9210 C.3 11 VAL11 0.0901 152 HA 6.3226 -13.8790 -2.5339 H 11 VAL11 0.0560 153 C 7.4620 -12.1000 -2.6990 C.2 11 VAL11 0.2189 154 O 8.5460 -12.6630 -2.9080 O.2 11 VAL11 -0.2778 155 CB 5.8270 -12.9421 -4.4262 C.3 11 VAL11 -0.0227 156 HB 6.6930 -13.3574 -4.9447 H 11 VAL11 0.0315 157 CG1 4.6520 -13.8958 -4.6900 C.3 11 VAL11 -0.0608 158 HG11 4.4800 -14.0146 -5.7599 H 11 VAL11 0.0233 159 HG12 3.7259 -13.5265 -4.2482 H 11 VAL11 0.0233 160 HG13 4.8489 -14.8851 -4.2763 H 11 VAL11 0.0233 161 CG2 5.5388 -11.5577 -5.0349 C.3 11 VAL11 -0.0608 162 HG21 5.3109 -11.6407 -6.0976 H 11 VAL11 0.0233 163 HG22 6.3950 -10.8901 -4.9391 H 11 VAL11 0.0233 164 HG23 4.6870 -11.0767 -4.5540 H 11 VAL11 0.0233 165 N 7.3690 -10.8320 -2.2700 N.am 12 ALA12 -0.2459 166 H 6.4400 -10.4400 -2.1170 H 12 ALA12 0.1312 167 CA 8.5230 -9.9900 -2.0130 C.3 12 ALA12 0.0850 168 HA 9.3301 -10.3010 -2.6785 H 12 ALA12 0.0554 169 C 9.0240 -10.0760 -0.5910 C.2 12 ALA12 0.2184 170 O 10.0280 -9.4040 -0.2510 O.2 12 ALA12 -0.2778 171 CB 8.1206 -8.5488 -2.3179 C.3 12 ALA12 -0.0411 172 HB1 8.9567 -7.8580 -2.2031 H 12 ALA12 0.0249 173 HB2 7.3317 -8.2465 -1.6339 H 12 ALA12 0.0249 174 HB3 7.7408 -8.4530 -3.3351 H 12 ALA12 0.0249 175 N 8.3610 -10.8500 0.2460 N.am 13 VAL13 -0.2454 176 H 7.5020 -11.3040 -0.0630 H 13 VAL13 0.1312 177 CA 8.8460 -11.0710 1.6320 C.3 13 VAL13 0.0901 178 HA 9.1306 -10.1019 2.0460 H 13 VAL13 0.0560 179 C 10.0740 -11.9700 1.5460 C.2 13 VAL13 0.2189 180 O 10.0230 -13.0590 0.9500 O.2 13 VAL13 -0.2778 181 CB 7.7255 -11.7062 2.4814 C.3 13 VAL13 -0.0227 182 HB 7.3950 -12.6154 1.9771 H 13 VAL13 0.0315 183 CG1 8.2048 -12.1094 3.8869 C.3 13 VAL13 -0.0608 184 HG11 7.3839 -12.5115 4.4809 H 13 VAL13 0.0233 185 HG12 8.6211 -11.2585 4.4237 H 13 VAL13 0.0233 186 HG13 8.9757 -12.8791 3.8431 H 13 VAL13 0.0233 187 CG2 6.5154 -10.7665 2.5848 C.3 13 VAL13 -0.0608 188 HG21 5.6931 -11.2476 3.1134 H 13 VAL13 0.0233 189 HG22 6.1448 -10.4825 1.6006 H 13 VAL13 0.0233 190 HG23 6.7699 -9.8511 3.1203 H 13 VAL13 0.0233 191 N 11.1810 -11.5050 2.1230 N.am 14 CYS14 -0.2448 192 H 11.1350 -10.6410 2.6630 H 14 CYS14 0.1312 193 CA 12.4630 -12.2050 2.0010 C.3 14 CYS14 0.0967 194 HA 12.3985 -12.8913 1.1583 H 14 CYS14 0.0565 195 C 12.8170 -12.9460 3.2760 C.2 14 CYS14 0.2221 196 O 12.2260 -12.7550 4.3380 O.2 14 CYS14 -0.2775 197 CB 13.5154 -11.1151 1.7440 C.3 14 CYS14 0.0147 198 HB1 14.5256 -11.5181 1.7437 H 14 CYS14 0.0394 199 HB2 13.4810 -10.3975 2.5636 H 14 CYS14 0.0394 200 SG 13.2820 -10.2162 0.1885 S.3 14 CYS14 -0.1762 201 HG 14.1257 -9.1817 0.1624 H 14 CYS14 0.1017 202 N 13.8060 -13.8620 3.1770 N.am 15 PRO15 -0.2315 203 CA 14.1170 -14.6670 4.3300 C.3 15 PRO15 0.0907 204 HA 13.2090 -15.2118 4.5968 H 15 PRO15 0.0559 205 C 14.6270 -13.8560 5.5260 C.2 15 PRO15 0.2189 206 O 15.3200 -12.8670 5.3550 O.2 15 PRO15 -0.2778 207 CB 15.2100 -15.6237 3.8237 C.3 15 PRO15 -0.0276 208 HB1 15.1014 -16.6292 4.2306 H 15 PRO15 0.0285 209 HB2 16.2045 -15.2670 4.0991 H 15 PRO15 0.0285 210 CG 15.0948 -15.5937 2.3030 C.3 15 PRO15 -0.0379 211 HG1 14.3472 -16.3198 1.9816 H 15 PRO15 0.0278 212 HG2 16.0323 -15.8324 1.8006 H 15 PRO15 0.0278 213 CD 14.5989 -14.1849 1.9915 C.3 15 PRO15 0.0071 214 HD1 15.4228 -13.4727 1.9421 H 15 PRO15 0.0431 215 HD2 14.0057 -14.1592 1.0793 H 15 PRO15 0.0431 216 N 14.2780 -14.3280 6.7080 N.am 16 ILE16 -0.2454 217 H 13.7840 -15.2190 6.7560 H 16 ILE16 0.1312 218 CA 14.5700 -13.6300 7.9280 C.3 16 ILE16 0.0906 219 HA 14.2279 -12.6073 7.7833 H 16 ILE16 0.0560 220 C 16.0720 -13.7240 8.1760 C.2 16 ILE16 0.2216 221 O 16.6520 -14.8350 8.1000 O.2 16 ILE16 -0.2776 222 CB 13.7751 -14.2657 9.0953 C.3 16 ILE16 -0.0201 223 HB 14.1363 -15.2882 9.2202 H 16 ILE16 0.0318 224 CG1 12.2615 -14.3451 8.7968 C.3 16 ILE16 -0.0514 225 HG11 12.0802 -14.7013 7.7834 H 16 ILE16 0.0266 226 HG12 11.8211 -13.3483 8.8416 H 16 ILE16 0.0266 227 CG2 14.0131 -13.5100 10.4177 C.3 16 ILE16 -0.0605 228 HG21 13.4919 -13.9825 11.2495 H 16 ILE16 0.0233 229 HG22 13.6614 -12.4800 10.3491 H 16 ILE16 0.0233 230 HG23 15.0689 -13.4829 10.6844 H 16 ILE16 0.0233 231 CD1 11.5156 -15.2975 9.7393 C.3 16 ILE16 -0.0650 232 HD11 10.4702 -15.3841 9.4465 H 16 ILE16 0.0230 233 HD12 11.5471 -14.9580 10.7732 H 16 ILE16 0.0230 234 HD13 11.9440 -16.2994 9.7050 H 16 ILE16 0.0230 235 N 16.6980 -12.6040 8.5160 N.am 17 PRO17 -0.2316 236 CA 18.1200 -12.7160 8.8940 C.3 17 PRO17 0.0907 237 HA 18.6680 -13.0364 8.0064 H 17 PRO17 0.0559 238 C 18.3760 -13.6480 10.0690 C.2 17 PRO17 0.2189 239 O 17.6270 -13.6770 11.0430 O.2 17 PRO17 -0.2778 240 CB 18.4667 -11.2685 9.2914 C.3 17 PRO17 -0.0276 241 HB1 19.4816 -10.9915 9.0064 H 17 PRO17 0.0285 242 HB2 18.3843 -11.1244 10.3712 H 17 PRO17 0.0285 243 CG 17.4125 -10.3867 8.6206 C.3 17 PRO17 -0.0379 244 HG1 17.7417 -10.1327 7.6123 H 17 PRO17 0.0278 245 HG2 17.2385 -9.4522 9.1550 H 17 PRO17 0.0278 246 CD 16.1570 -11.2522 8.5341 C.3 17 PRO17 0.0071 247 HD1 15.5120 -11.1580 9.4087 H 17 PRO17 0.0431 248 HD2 15.6089 -11.0614 7.6128 H 17 PRO17 0.0431 249 N 19.4910 -14.3570 10.0130 N.am 18 ALA18 -0.2459 250 H 20.0850 -14.2890 9.1870 H 18 ALA18 0.1312 251 CA 19.8880 -15.2350 11.1110 C.3 18 ALA18 0.0850 252 HA 19.0503 -15.9056 11.3115 H 18 ALA18 0.0554 253 C 20.1800 -14.4300 12.3860 C.2 18 ALA18 0.2184 254 O 20.0930 -14.9640 13.4860 O.2 18 ALA18 -0.2778 255 CB 21.1219 -16.0390 10.6884 C.3 18 ALA18 -0.0411 256 HB1 21.4294 -16.7322 11.4722 H 18 ALA18 0.0249 257 HB2 21.9662 -15.3852 10.4673 H 18 ALA18 0.0249 258 HB3 20.9126 -16.6251 9.7935 H 18 ALA18 0.0249 259 N 20.4870 -13.1550 12.2280 N.am 19 ALA19 -0.2459 260 H 20.6240 -12.7930 11.2840 H 19 ALA19 0.1312 261 CA 20.6360 -12.2460 13.3630 C.3 19 ALA19 0.0850 262 HA 21.3751 -12.6788 14.0390 H 19 ALA19 0.0554 263 C 19.2970 -12.0870 14.1300 C.2 19 ALA19 0.2182 264 O 19.2800 -11.7440 15.3430 O.2 19 ALA19 -0.2778 265 CB 21.1068 -10.8828 12.8458 C.3 19 ALA19 -0.0411 266 HB1 21.2540 -10.1787 13.6656 H 19 ALA19 0.0249 267 HB2 20.3799 -10.4484 12.1580 H 19 ALA19 0.0249 268 HB3 22.0538 -10.9753 12.3144 H 19 ALA19 0.0249 269 N 18.1780 -12.3850 13.4750 N.am 20 GLY20 -0.2485 270 H 18.2480 -12.7040 12.5090 H 20 GLY20 0.1309 271 CA 16.8700 -12.2760 14.0720 C.3 20 GLY20 0.0765 272 HA1 16.9108 -12.5941 15.1153 H 20 GLY20 0.0521 273 HA2 16.1960 -12.9210 13.5092 H 20 GLY20 0.0521 274 C 16.4340 -10.8190 13.9480 C.2 20 GLY20 0.2155 275 O 16.9760 -10.0410 13.1580 O.2 20 GLY20 -0.2781 276 N 15.4710 -10.4640 14.7730 N.am 21 LEU21 -0.2459 277 H 15.0830 -11.1620 15.4080 H 21 LEU21 0.1312 278 CA 14.9360 -9.0930 14.8080 C.3 21 LEU21 0.0880 279 HA 15.4403 -8.4764 14.0618 H 21 LEU21 0.0557 280 C 15.1620 -8.4730 16.1630 C.2 21 LEU21 0.2187 281 O 15.1630 -9.1840 17.1610 O.2 21 LEU21 -0.2778 282 CB 13.4183 -9.1422 14.5399 C.3 21 LEU21 -0.0266 283 HB1 13.0139 -8.1281 14.5362 H 21 LEU21 0.0287 284 HB2 12.9294 -9.6579 15.3689 H 21 LEU21 0.0287 285 CG 13.0196 -9.8488 13.2315 C.3 21 LEU21 -0.0449 286 HG 13.4377 -10.8556 13.2292 H 21 LEU21 0.0296 287 CD1 11.4965 -9.9980 13.1490 C.3 21 LEU21 -0.0626 288 HD11 11.2061 -10.5298 12.2460 H 21 LEU21 0.0232 289 HD12 11.0021 -9.0261 13.1403 H 21 LEU21 0.0232 290 HD13 11.1146 -10.5656 13.9964 H 21 LEU21 0.0232 291 CD2 13.5564 -9.1185 11.9958 C.3 21 LEU21 -0.0626 292 HD21 13.2645 -9.6447 11.0883 H 21 LEU21 0.0232 293 HD22 14.6449 -9.0635 12.0006 H 21 LEU21 0.0232 294 HD23 13.1680 -8.1013 11.9363 H 21 LEU21 0.0232 295 N 15.3360 -7.1600 16.2090 N.am 22 ASP22 -0.2451 296 H 15.3930 -6.6470 15.3290 H 22 ASP22 0.1312 297 CA 15.4500 -6.4150 17.4500 C.3 22 ASP22 0.0974 298 HA 15.3570 -7.0818 18.3094 H 22 ASP22 0.0563 299 C 14.3090 -5.4140 17.4620 C.2 22 ASP22 0.2192 300 O 14.3470 -4.3870 16.7710 O.2 22 ASP22 -0.2778 301 CB 16.8234 -5.7252 17.4472 C.3 22 ASP22 0.0576 302 HB1 16.9428 -5.1044 16.5604 H 22 ASP22 0.0394 303 HB2 17.6136 -6.4730 17.4163 H 22 ASP22 0.0394 304 CG 17.0595 -4.8686 18.6914 C.2 22 ASP22 0.1780 305 OD1 16.5825 -5.2481 19.7584 O.co2 22 ASP22 -0.6478 306 OD2 17.7172 -3.8365 18.5724 O.co2 22 ASP22 -0.6478 307 N 13.2650 -5.7170 18.2380 N.am 23 VAL23 -0.2454 308 H 13.2980 -6.5360 18.8450 H 23 VAL23 0.1312 309 CA 12.0920 -4.8810 18.2140 C.3 23 VAL23 0.0901 310 HA 11.8964 -4.6889 17.1623 H 23 VAL23 0.0560 311 C 12.3010 -3.5130 18.8680 C.2 23 VAL23 0.2190 312 O 11.4420 -2.6390 18.7270 O.2 23 VAL23 -0.2778 313 CB 10.8414 -5.5923 18.7720 C.3 23 VAL23 -0.0227 314 HB 9.9833 -4.9863 18.4779 H 23 VAL23 0.0315 315 CG1 10.6399 -6.9731 18.1273 C.3 23 VAL23 -0.0608 316 HG11 9.6791 -7.4042 18.4040 H 23 VAL23 0.0233 317 HG12 11.4158 -7.6734 18.4334 H 23 VAL23 0.0233 318 HG13 10.6671 -6.9059 17.0395 H 23 VAL23 0.0233 319 CG2 10.8115 -5.6668 20.3069 C.3 23 VAL23 -0.0608 320 HG21 9.8885 -6.1256 20.6487 H 23 VAL23 0.0233 321 HG22 10.8580 -4.6776 20.7617 H 23 VAL23 0.0233 322 HG23 11.6423 -6.2442 20.7048 H 23 VAL23 0.0233 323 N 13.4380 -3.3500 19.5560 N.am 24 THR24 -0.2434 324 H 14.0530 -4.1500 19.7040 H 24 THR24 0.1313 325 CA 13.8140 -2.0450 20.0990 C.3 24 THR24 0.1135 326 HA 12.9222 -1.4198 20.1300 H 24 THR24 0.0583 327 C 14.8150 -1.2950 19.2300 C.2 24 THR24 0.2212 328 O 15.2880 -0.2290 19.6280 O.2 24 THR24 -0.2777 329 CB 14.3192 -2.1919 21.5487 C.3 24 THR24 0.0763 330 HB 14.4480 -1.1856 21.9597 H 24 THR24 0.0611 331 OG1 15.5794 -2.8265 21.5367 O.3 24 THR24 -0.3900 332 HG1 15.8806 -3.0526 22.4073 H 24 THR24 0.2098 333 CG2 13.3150 -2.9674 22.4202 C.3 24 THR24 -0.0370 334 HG21 13.5927 -2.9411 23.4740 H 24 THR24 0.0255 335 HG22 13.2564 -4.0146 22.1204 H 24 THR24 0.0255 336 HG23 12.3164 -2.5398 22.3357 H 24 THR24 0.0255 337 N 15.0690 -1.7740 18.0130 N.am 25 GLN25 -0.2456 338 H 14.6220 -2.6390 17.7110 H 25 GLN25 0.1312 339 CA 15.9720 -1.0830 17.1110 C.3 25 GLN25 0.0885 340 HA 16.9096 -0.9739 17.6551 H 25 GLN25 0.0557 341 C 15.3520 0.2620 16.7060 C.2 25 GLN25 0.2214 342 O 14.1810 0.3050 16.3160 O.2 25 GLN25 -0.2776 343 CB 16.1837 -1.9696 15.8731 C.3 25 GLN25 -0.0210 344 HB1 15.2271 -2.1441 15.3798 H 25 GLN25 0.0289 345 HB2 16.5341 -2.9456 16.2076 H 25 GLN25 0.0289 346 CG 17.1943 -1.3856 14.8730 C.3 25 GLN25 0.0225 347 HG1 18.1711 -1.2842 15.3442 H 25 GLN25 0.0356 348 HG2 16.8807 -0.3935 14.5474 H 25 GLN25 0.0356 349 CD 17.3538 -2.2709 13.6287 C.2 25 GLN25 0.1981 350 OE1 17.0855 -3.4645 13.6332 O.2 25 GLN25 -0.2798 351 NE2 17.8074 -1.6047 12.5562 N.am 25 GLN25 -0.2724 352 HE21 17.9479 -2.1019 11.7017 H 25 GLN25 0.1266 353 HE22 17.9963 -0.6244 12.6033 H 25 GLN25 0.1266 354 N 16.1250 1.3460 16.7540 N.am 26 PRO26 -0.2316 355 CA 15.5840 2.6550 16.3950 C.3 26 PRO26 0.0907 356 HA 14.6037 2.7823 16.8508 H 26 PRO26 0.0559 357 C 15.5010 2.8750 14.8990 C.2 26 PRO26 0.2189 358 O 16.0810 2.1310 14.1010 O.2 26 PRO26 -0.2778 359 CB 16.6091 3.6063 17.0216 C.3 26 PRO26 -0.0276 360 HB1 16.3331 3.7922 18.0600 H 26 PRO26 0.0285 361 HB2 16.6721 4.5762 16.5280 H 26 PRO26 0.0285 362 CG 17.9250 2.8312 16.9795 C.3 26 PRO26 -0.0379 363 HG1 18.6435 3.1775 17.7219 H 26 PRO26 0.0278 364 HG2 18.3772 2.9480 15.9937 H 26 PRO26 0.0278 365 CD 17.5197 1.3699 17.1835 C.3 26 PRO26 0.0071 366 HD1 18.1066 0.6780 16.5796 H 26 PRO26 0.0431 367 HD2 17.5432 1.0834 18.2367 H 26 PRO26 0.0431 368 N 14.8090 3.9590 14.5330 N.am 27 CYS27 -0.2452 369 H 14.3410 4.5160 15.2480 H 27 CYS27 0.1312 370 CA 14.7090 4.3610 13.1400 C.3 27 CYS27 0.0872 371 HA 14.2170 3.5430 12.5640 H 27 CYS27 0.0562 372 C 16.0890 4.6190 12.5480 C.2 27 CYS27 0.2189 373 O 16.8810 5.3660 13.1260 O.2 27 CYS27 -0.2778 374 CB 13.8780 5.6230 13.0050 C.3 27 CYS27 -0.0998 375 HB1 14.2830 6.4300 13.6590 H 27 CYS27 0.0295 376 HB2 12.8540 5.3830 13.3760 H 27 CYS27 0.0295 377 SG 13.7040 6.2110 11.3060 S.2 27 CYS27 -0.9301 378 N 16.3520 4.0000 11.3950 N.am 28 GLY28 -0.2484 379 H 15.6440 3.3820 10.9990 H 28 GLY28 0.1309 380 CA 17.6170 4.1720 10.6750 C.3 28 GLY28 0.0765 381 HA1 17.5767 3.5119 9.8115 H 28 GLY28 0.0521 382 HA2 18.4156 3.8348 11.3345 H 28 GLY28 0.0521 383 C 17.9100 5.5760 10.2140 C.2 28 GLY28 0.2155 384 O 19.0700 5.8810 9.9320 O.2 28 GLY28 -0.2781 385 N 16.8970 6.4070 10.0890 N.am 29 ASP29 -0.2454 386 H 15.9560 6.0740 10.2990 H 29 ASP29 0.1312 387 CA 17.0800 7.8150 9.6520 C.3 29 ASP29 0.0974 388 HA 18.1010 7.8460 9.2040 H 29 ASP29 0.0563 389 C 17.1460 8.7440 10.8220 C.2 29 ASP29 0.2192 390 O 18.2000 9.3790 11.0210 O.2 29 ASP29 -0.2778 391 CB 16.1440 8.2010 8.5190 C.3 29 ASP29 0.0576 392 HB1 16.4480 7.9300 7.4810 H 29 ASP29 0.0394 393 HB2 15.9780 9.3030 8.5600 H 29 ASP29 0.0394 394 CG 14.9560 7.5300 9.0820 C.2 29 ASP29 0.1780 395 OD1 14.4200 8.0380 10.0330 O.co2 29 ASP29 -0.6478 396 OD2 14.5980 6.4640 8.6670 O.co2 29 ASP29 -0.6478 397 N 16.1010 8.8090 11.6460 N.am 30 CYS30 -0.2452 398 H 15.3390 8.1380 11.5540 H 30 CYS30 0.1312 399 CA 16.0430 9.8520 12.6940 C.3 30 CYS30 0.0872 400 HA 16.7920 10.6340 12.4280 H 30 CYS30 0.0562 401 C 16.3900 9.3450 14.0690 C.2 30 CYS30 0.2189 402 O 16.4260 10.1280 15.0110 O.2 30 CYS30 -0.2778 403 CB 14.6800 10.5210 12.7300 C.3 30 CYS30 -0.0998 404 HB1 14.4520 10.9760 11.7380 H 30 CYS30 0.0295 405 HB2 14.7480 11.3580 13.4630 H 30 CYS30 0.0295 406 SG 13.2920 9.4580 13.2630 S.2 30 CYS30 -0.9301 407 N 16.5790 8.0390 14.2400 N.am 31 GLY31 -0.2484 408 H 16.4960 7.4080 13.4430 H 31 GLY31 0.1309 409 CA 16.9060 7.4960 15.5650 C.3 31 GLY31 0.0765 410 HA1 17.7187 8.0910 15.9816 H 31 GLY31 0.0521 411 HA2 17.2904 6.4933 15.3862 H 31 GLY31 0.0521 412 C 15.7870 7.4020 16.5760 C.2 31 GLY31 0.2156 413 O 16.0190 6.9870 17.7010 O.2 31 GLY31 -0.2781 414 N 14.5450 7.7220 16.1990 N.am 32 THR32 -0.2436 415 H 14.3600 8.0420 15.2480 H 32 THR32 0.1312 416 CA 13.4680 7.6090 17.1570 C.3 32 THR32 0.1135 417 HA 13.7719 8.2072 18.0173 H 32 THR32 0.0583 418 C 13.2710 6.1860 17.6140 C.2 32 THR32 0.2212 419 O 13.4330 5.2290 16.8260 O.2 32 THR32 -0.2777 420 CB 12.1853 8.2230 16.5867 C.3 32 THR32 0.0763 421 HB 12.4699 9.2023 16.1792 H 32 THR32 0.0611 422 OG1 11.2706 8.3931 17.6649 O.3 32 THR32 -0.3900 423 HG1 10.5076 8.8690 17.3593 H 32 THR32 0.2098 424 CG2 11.5889 7.3841 15.4469 C.3 32 THR32 -0.0370 425 HG21 10.8774 7.9531 14.8546 H 32 THR32 0.0255 426 HG22 11.0930 6.4857 15.8157 H 32 THR32 0.0255 427 HG23 12.3681 7.0729 14.7559 H 32 THR32 0.0255 428 N 12.9560 6.0210 18.8900 N.am 33 ILE33 -0.2453 429 H 13.0290 6.8150 19.5260 H 33 ILE33 0.1312 430 CA 12.5030 4.7220 19.4130 C.3 33 ILE33 0.0903 431 HA 13.0447 3.9454 18.8683 H 33 ILE33 0.0560 432 C 11.0240 4.4320 19.2100 C.2 33 ILE33 0.2189 433 O 10.5650 3.3310 19.5080 O.2 33 ILE33 -0.2778 434 CB 12.8862 4.6231 20.9051 C.3 33 ILE33 -0.0201 435 HB 12.5470 3.6516 21.2693 H 33 ILE33 0.0318 436 CG1 12.2070 5.7145 21.7606 C.3 33 ILE33 -0.0514 437 HG11 11.1381 5.7383 21.5481 H 33 ILE33 0.0266 438 HG12 12.5903 6.6987 21.4899 H 33 ILE33 0.0266 439 CG2 14.4157 4.6480 21.0655 C.3 33 ILE33 -0.0605 440 HG21 14.7137 4.4337 22.0912 H 33 ILE33 0.0233 441 HG22 14.8329 5.6179 20.7933 H 33 ILE33 0.0233 442 HG23 14.8867 3.8964 20.4305 H 33 ILE33 0.0233 443 CD1 12.3827 5.4996 23.2680 C.3 33 ILE33 -0.0650 444 HD11 11.8301 6.2514 23.8318 H 33 ILE33 0.0230 445 HD12 13.4289 5.5727 23.5639 H 33 ILE33 0.0230 446 HD13 12.0137 4.5194 23.5703 H 33 ILE33 0.0230 447 N 10.2790 5.3990 18.6880 N.am 34 GLN34 -0.2456 448 H 10.7340 6.2420 18.3370 H 34 GLN34 0.1312 449 CA 8.8490 5.2890 18.6040 C.3 34 GLN34 0.0882 450 HA 8.5087 4.6229 19.3993 H 34 GLN34 0.0557 451 C 8.2760 4.7900 17.2690 C.2 34 GLN34 0.2187 452 O 8.7020 5.2170 16.2300 O.2 34 GLN34 -0.2778 453 CB 8.2660 6.6918 18.8591 C.3 34 GLN34 -0.0210 454 HB1 7.1798 6.6207 18.9442 H 34 GLN34 0.0289 455 HB2 8.4585 7.3270 17.9926 H 34 GLN34 0.0289 456 CG 8.8418 7.3617 20.1208 C.3 34 GLN34 0.0225 457 HG1 9.9082 7.5609 20.0139 H 34 GLN34 0.0356 458 HG2 8.7202 6.7091 20.9850 H 34 GLN34 0.0356 459 CD 8.1488 8.6932 20.4310 C.2 34 GLN34 0.1981 460 OE1 7.5703 8.8819 21.4918 O.2 34 GLN34 -0.2798 461 NE2 8.2453 9.6015 19.4489 N.am 34 GLN34 -0.2724 462 HE21 7.8218 10.4986 19.5672 H 34 GLN34 0.1266 463 HE22 8.7268 9.3962 18.5974 H 34 GLN34 0.1266 464 N 7.2670 3.9320 17.3550 N.am 35 GLU35 -0.2456 465 H 7.0280 3.5690 18.2780 H 35 GLU35 0.1312 466 CA 6.4760 3.4730 16.2140 C.3 35 GLU35 0.0883 467 HA 5.9270 2.6059 16.5689 H 35 GLU35 0.0557 468 C 7.3330 2.9850 15.0530 C.2 35 GLU35 0.2187 469 O 7.0920 3.3200 13.9030 O.2 35 GLU35 -0.2778 470 CB 5.4806 4.5620 15.7606 C.3 35 GLU35 -0.0193 471 HB1 6.0186 5.3430 15.2285 H 35 GLU35 0.0290 472 HB2 5.0475 5.0335 16.6437 H 35 GLU35 0.0290 473 CG 4.3384 4.0396 14.8637 C.3 35 GLU35 0.0356 474 HG1 3.8103 3.2297 15.3626 H 35 GLU35 0.0374 475 HG2 4.7102 3.6327 13.9260 H 35 GLU35 0.0374 476 CD 3.3091 5.1397 14.5533 C.2 35 GLU35 0.1760 477 OE1 2.6311 5.5719 15.4806 O.co2 35 GLU35 -0.6478 478 OE2 3.1828 5.5486 13.3982 O.co2 35 GLU35 -0.6478 479 N 8.3390 2.1800 15.3620 N.am 36 ASN36 -0.2452 480 H 8.5350 1.9570 16.3380 H 36 ASN36 0.1312 481 CA 9.1570 1.6190 14.3130 C.3 36 ASN36 0.0957 482 HA 9.2519 2.3661 13.5274 H 36 ASN36 0.0562 483 C 8.5620 0.3820 13.6570 C.2 36 ASN36 0.2191 484 O 7.7660 -0.3790 14.2530 O.2 36 ASN36 -0.2778 485 CB 10.5671 1.3401 14.8577 C.3 36 ASN36 0.0446 486 HB1 11.2141 0.9397 14.0786 H 36 ASN36 0.0375 487 HB2 10.5318 0.6137 15.6685 H 36 ASN36 0.0375 488 CG 11.2102 2.6358 15.3744 C.2 36 ASN36 0.2000 489 OD1 10.9061 3.7290 14.9242 O.2 36 ASN36 -0.2797 490 ND2 12.1083 2.4511 16.3479 N.am 36 ASN36 -0.2723 491 HD21 12.5402 3.2655 16.7349 H 36 ASN36 0.1266 492 HD22 12.3701 1.5460 16.6817 H 36 ASN36 0.1266 493 N 8.9700 0.2070 12.4170 N.am 37 TRP37 -0.2453 494 H 9.6070 0.9030 12.0290 H 37 TRP37 0.1312 495 CA 8.5790 -0.9110 11.5500 C.3 37 TRP37 0.0918 496 HA 8.0200 -1.6447 12.1274 H 37 TRP37 0.0560 497 C 9.8380 -1.5000 10.9810 C.2 37 TRP37 0.2190 498 O 10.8430 -0.7880 10.8380 O.2 37 TRP37 -0.2778 499 CB 7.8020 -0.3492 10.3470 C.3 37 TRP37 -0.0021 500 HB1 7.6370 -1.1228 9.5969 H 37 TRP37 0.0334 501 HB2 8.3795 0.4396 9.8631 H 37 TRP37 0.0334 502 CG 6.4688 0.2409 10.7391 C.ar 37 TRP37 -0.0260 503 CD1 6.2471 1.5261 11.2431 C.ar 37 TRP37 -0.0136 504 HD1 7.0180 2.2473 11.4783 H 37 TRP37 0.0748 505 CD2 5.1723 -0.3534 10.5426 C.ar 37 TRP37 -0.0028 506 NE1 4.9126 1.7309 11.3642 N.ar 37 TRP37 -0.2641 507 HE1 4.4943 2.5547 11.6958 H 37 TRP37 0.1331 508 CE2 4.2173 0.6127 10.9218 C.ar 37 TRP37 0.0269 509 CE3 4.7646 -1.5653 10.0591 C.ar 37 TRP37 -0.0528 510 HE3 5.5034 -2.2836 9.7470 H 37 TRP37 0.0624 511 CZ2 2.8869 0.3331 10.7913 C.ar 37 TRP37 -0.0430 512 HZ2 2.1688 1.0895 11.0448 H 37 TRP37 0.0633 513 CZ3 3.4065 -1.8646 9.9525 C.ar 37 TRP37 -0.0611 514 HZ3 3.0882 -2.8260 9.5766 H 37 TRP37 0.0618 515 CH2 2.4620 -0.9067 10.3151 C.ar 37 TRP37 -0.0602 516 HH2 1.4060 -1.1177 10.2305 H 37 TRP37 0.0618 517 N 9.7760 -2.7930 10.6330 N.am 38 VAL38 -0.2454 518 H 8.9410 -3.3320 10.8630 H 38 VAL38 0.1312 519 CA 10.8880 -3.4530 9.9250 C.3 38 VAL38 0.0901 520 HA 11.6942 -2.7293 9.7948 H 38 VAL38 0.0560 521 C 10.3970 -3.8480 8.5400 C.2 38 VAL38 0.2189 522 O 9.2750 -4.3860 8.3550 O.2 38 VAL38 -0.2778 523 CB 11.4345 -4.6476 10.7290 C.3 38 VAL38 -0.0227 524 HB 11.7315 -4.2460 11.6937 H 38 VAL38 0.0315 525 CG1 10.3966 -5.7481 10.9885 C.3 38 VAL38 -0.0608 526 HG11 10.8164 -6.5358 11.6144 H 38 VAL38 0.0233 527 HG12 10.0760 -6.2132 10.0564 H 38 VAL38 0.0233 528 HG13 9.5186 -5.3543 11.5000 H 38 VAL38 0.0233 529 CG2 12.6960 -5.2389 10.0842 C.3 38 VAL38 -0.0608 530 HG21 13.1656 -5.9704 10.7417 H 38 VAL38 0.0233 531 HG22 13.4342 -4.4647 9.8721 H 38 VAL38 0.0233 532 HG23 12.4548 -5.7416 9.1479 H 38 VAL38 0.0233 533 N 11.2440 -3.6030 7.5470 N.am 39 CYS39 -0.2452 534 H 12.1420 -3.1610 7.7430 H 39 CYS39 0.1312 535 CA 10.8990 -3.9600 6.1880 C.3 39 CYS39 0.0872 536 HA 9.8390 -3.6770 5.9910 H 39 CYS39 0.0562 537 C 11.0700 -5.4540 5.9630 C.2 39 CYS39 0.2191 538 O 12.1170 -6.0280 6.2580 O.2 39 CYS39 -0.2778 539 CB 11.8090 -3.2050 5.2270 C.3 39 CYS39 -0.0998 540 HB1 12.8820 -3.4030 5.4570 H 39 CYS39 0.0295 541 HB2 11.6310 -2.1160 5.3910 H 39 CYS39 0.0295 542 SG 11.4490 -3.5510 3.4890 S.2 39 CYS39 -0.9301 543 N 10.0280 -6.1140 5.4840 N.am 40 LEU40 -0.2456 544 H 9.1720 -5.6090 5.2520 H 40 LEU40 0.1312 545 CA 10.0940 -7.5720 5.2830 C.3 40 LEU40 0.0880 546 HA 10.6843 -8.0029 6.0923 H 40 LEU40 0.0557 547 C 10.7640 -7.9820 3.9940 C.2 40 LEU40 0.2187 548 O 10.8460 -9.1820 3.7290 O.2 40 LEU40 -0.2778 549 CB 8.6506 -8.1000 5.3517 C.3 40 LEU40 -0.0266 550 HB1 8.6272 -9.1615 5.1076 H 40 LEU40 0.0287 551 HB2 8.0560 -7.6044 4.5831 H 40 LEU40 0.0287 552 CG 7.9852 -7.8967 6.7294 C.3 40 LEU40 -0.0449 553 HG 8.0845 -6.8540 7.0350 H 40 LEU40 0.0296 554 CD1 6.4846 -8.1968 6.6480 C.3 40 LEU40 -0.0626 555 HD11 6.0134 -8.1740 7.6296 H 40 LEU40 0.0232 556 HD12 6.3082 -9.1779 6.2091 H 40 LEU40 0.0232 557 HD13 5.9801 -7.4553 6.0320 H 40 LEU40 0.0232 558 CD2 8.6562 -8.7707 7.7973 C.3 40 LEU40 -0.0626 559 HD21 8.1233 -8.7320 8.7463 H 40 LEU40 0.0232 560 HD22 9.6799 -8.4513 7.9920 H 40 LEU40 0.0232 561 HD23 8.6886 -9.8103 7.4736 H 40 LEU40 0.0232 562 N 11.2730 -7.0210 3.2340 N.am 41 SER41 -0.2436 563 H 11.0300 -6.0500 3.4300 H 41 SER41 0.1312 564 CA 12.1910 -7.3260 2.1020 C.3 41 SER41 0.1109 565 HA 12.0040 -8.3660 1.7470 H 41 SER41 0.0580 566 C 13.6540 -7.1960 2.5320 C.2 41 SER41 0.2209 567 O 14.4090 -8.1680 2.4080 O.2 41 SER41 -0.2777 568 CB 11.9330 -6.3520 0.9590 C.3 41 SER41 0.0681 569 HB1 11.0080 -6.5790 0.3780 H 41 SER41 0.0577 570 HB2 12.7990 -6.4080 0.2590 H 41 SER41 0.0577 571 OG 11.9320 -5.0640 1.5480 O.3 41 SER41 -0.3930 572 HG 11.7720 -4.4570 0.8350 H 41 SER41 0.2095 573 N 14.0430 -6.0300 3.0530 N.am 42 CYS42 -0.2451 574 H 13.3380 -5.3230 3.2610 H 42 CYS42 0.1312 575 CA 15.4580 -5.7320 3.3370 C.3 42 CYS42 0.0872 576 HA 16.0490 -6.5820 2.9250 H 42 CYS42 0.0562 577 C 15.8290 -5.6230 4.8190 C.2 42 CYS42 0.2191 578 O 16.9980 -5.4810 5.1390 O.2 42 CYS42 -0.2778 579 CB 15.8990 -4.4870 2.5730 C.3 42 CYS42 -0.0998 580 HB1 15.6170 -4.5660 1.4970 H 42 CYS42 0.0295 581 HB2 17.0120 -4.4500 2.6200 H 42 CYS42 0.0295 582 SG 15.2840 -2.9430 3.2810 S.2 42 CYS42 -0.9301 583 N 14.8250 -5.7020 5.7010 N.am 43 TYR43 -0.2453 584 H 13.8700 -5.7200 5.3420 H 43 TYR43 0.1312 585 CA 15.0200 -5.7650 7.1730 C.3 43 TYR43 0.0917 586 HA 14.0126 -5.7360 7.5765 H 43 TYR43 0.0560 587 C 15.6730 -4.5110 7.7960 C.2 43 TYR43 0.2190 588 O 16.1370 -4.5290 8.9500 O.2 43 TYR43 -0.2778 589 CB 15.6401 -7.1103 7.5811 C.3 43 TYR43 -0.0036 590 HB1 15.9263 -7.0975 8.6336 H 43 TYR43 0.0333 591 HB2 16.5490 -7.3125 7.0142 H 43 TYR43 0.0333 592 CG 14.6386 -8.2202 7.3734 C.ar 43 TYR43 -0.0453 593 CD1 13.7497 -8.5475 8.3926 C.ar 43 TYR43 -0.0561 594 HD1 13.8000 -8.0240 9.3360 H 43 TYR43 0.0621 595 CD2 14.5302 -8.8798 6.1502 C.ar 43 TYR43 -0.0561 596 HD2 15.1911 -8.6210 5.3355 H 43 TYR43 0.0621 597 CE1 12.7834 -9.5261 8.2033 C.ar 43 TYR43 -0.0317 598 HE1 12.0966 -9.7734 8.9977 H 43 TYR43 0.0643 599 CE2 13.5612 -9.8594 5.9583 C.ar 43 TYR43 -0.0317 600 HE2 13.4834 -10.3677 5.0088 H 43 TYR43 0.0643 601 CZ 12.6909 -10.1867 6.9890 C.ar 43 TYR43 0.0726 602 OH 11.7344 -11.1662 6.8186 O.3 43 TYR43 -0.3598 603 HH 11.8036 -11.5273 5.9416 H 43 TYR43 0.2173 604 N 15.6120 -3.4100 7.0430 N.am 44 GLN44 -0.2456 605 H 15.3800 -3.4930 6.0530 H 44 GLN44 0.1312 606 CA 15.8710 -2.0900 7.6080 C.3 44 GLN44 0.0882 607 HA 16.7564 -2.1720 8.2415 H 44 GLN44 0.0557 608 C 14.6930 -1.6650 8.4700 C.2 44 GLN44 0.2187 609 O 13.5570 -2.0550 8.2270 O.2 44 GLN44 -0.2778 610 CB 16.1466 -1.1192 6.4545 C.3 44 GLN44 -0.0210 611 HB1 16.3693 -0.1367 6.8694 H 44 GLN44 0.0289 612 HB2 15.2509 -1.0184 5.8399 H 44 GLN44 0.0289 613 CG 17.3262 -1.5815 5.5795 C.3 44 GLN44 0.0225 614 HG1 17.1235 -2.5462 5.1151 H 44 GLN44 0.0356 615 HG2 18.2177 -1.7064 6.1940 H 44 GLN44 0.0356 616 CD 17.6268 -0.5782 4.4572 C.2 44 GLN44 0.1981 617 OE1 16.7382 -0.0094 3.8378 O.2 44 GLN44 -0.2798 618 NE2 18.9361 -0.3909 4.2345 N.am 44 GLN44 -0.2724 619 HE21 19.2228 0.2589 3.5324 H 44 GLN44 0.1266 620 HE22 19.6244 -0.8881 4.7602 H 44 GLN44 0.1266 621 N 14.9690 -0.8420 9.4730 N.am 45 VAL45 -0.2454 622 H 15.9300 -0.5160 9.5720 H 45 VAL45 0.1312 623 CA 13.9950 -0.3770 10.4340 C.3 45 VAL45 0.0901 624 HA 13.0391 -0.8298 10.1869 H 45 VAL45 0.0560 625 C 13.8320 1.1330 10.3290 C.2 45 VAL45 0.2189 626 O 14.8260 1.8580 10.3910 O.2 45 VAL45 -0.2778 627 CB 14.4096 -0.8148 11.8559 C.3 45 VAL45 -0.0227 628 HB 15.4166 -0.4424 12.0456 H 45 VAL45 0.0315 629 CG1 13.5022 -0.2341 12.9536 C.3 45 VAL45 -0.0608 630 HG11 13.8294 -0.5662 13.9381 H 45 VAL45 0.0233 631 HG12 12.4692 -0.5536 12.8202 H 45 VAL45 0.0233 632 HG13 13.5227 0.8563 12.9674 H 45 VAL45 0.0233 633 CG2 14.4303 -2.3472 11.9659 C.3 45 VAL45 -0.0608 634 HG21 14.6641 -2.6670 12.9808 H 45 VAL45 0.0233 635 HG22 15.1711 -2.7933 11.3019 H 45 VAL45 0.0233 636 HG23 13.4579 -2.7654 11.7106 H 45 VAL45 0.0233 637 N 12.5750 1.5850 10.2120 N.am 46 TYR46 -0.2453 638 H 11.8110 0.9090 10.2370 H 46 TYR46 0.1312 639 CA 12.2480 2.9970 10.0500 C.3 46 TYR46 0.0917 640 HA 13.0221 3.5934 10.5407 H 46 TYR46 0.0560 641 C 10.9280 3.3100 10.7280 C.2 46 TYR46 0.2190 642 O 10.0910 2.4380 10.9020 O.2 46 TYR46 -0.2778 643 CB 12.1676 3.3326 8.5511 C.3 46 TYR46 -0.0036 644 HB1 11.9804 4.3988 8.4316 H 46 TYR46 0.0333 645 HB2 11.3295 2.8051 8.1016 H 46 TYR46 0.0333 646 CG 13.4225 3.0012 7.7821 C.ar 46 TYR46 -0.0453 647 CD1 14.6314 3.5837 8.1388 C.ar 46 TYR46 -0.0561 648 HD1 14.6817 4.1968 9.0255 H 46 TYR46 0.0621 649 CD2 13.4033 2.1166 6.7095 C.ar 46 TYR46 -0.0561 650 HD2 12.4835 1.6271 6.4305 H 46 TYR46 0.0621 651 CE1 15.7848 3.3612 7.4043 C.ar 46 TYR46 -0.0317 652 HE1 16.7028 3.8542 7.6852 H 46 TYR46 0.0643 653 CE2 14.5652 1.8632 5.9904 C.ar 46 TYR46 -0.0317 654 HE2 14.5573 1.1612 5.1741 H 46 TYR46 0.0643 655 CZ 15.7498 2.5061 6.3181 C.ar 46 TYR46 0.0726 656 OH 16.8969 2.2657 5.5896 O.3 46 TYR46 -0.3598 657 HH 16.6841 1.7284 4.8387 H 46 TYR46 0.2173 658 N 10.7340 4.5780 11.0640 N.am 47 CYS47 -0.2452 659 H 11.4080 5.2830 10.7650 H 47 CYS47 0.1312 660 CA 9.5810 4.9830 11.8490 C.3 47 CYS47 0.0872 661 HA 9.3980 4.1690 12.5890 H 47 CYS47 0.0562 662 C 8.2800 5.1540 11.0550 C.2 47 CYS47 0.2189 663 O 8.2650 5.3630 9.8410 O.2 47 CYS47 -0.2778 664 CB 9.9220 6.2360 12.6550 C.3 47 CYS47 -0.0998 665 HB1 10.8260 6.0510 13.2800 H 47 CYS47 0.0295 666 HB2 9.0730 6.4120 13.3560 H 47 CYS47 0.0295 667 SG 10.1370 7.7580 11.6940 S.2 47 CYS47 -0.9301 668 N 7.1960 5.0680 11.8200 N.am 48 GLY48 -0.2484 669 H 7.3190 4.9450 12.8250 H 48 GLY48 0.1309 670 CA 5.8460 5.1410 11.2930 C.3 48 GLY48 0.0765 671 HA1 5.1896 4.7574 12.0704 H 48 GLY48 0.0521 672 HA2 5.7819 4.4725 10.4340 H 48 GLY48 0.0521 673 C 5.3860 6.5310 10.9030 C.2 48 GLY48 0.2155 674 O 6.0020 7.5500 11.2150 O.2 48 GLY48 -0.2781 675 N 4.2250 6.5280 10.2460 N.am 49 ARG49 -0.2459 676 H 3.6960 5.6610 10.1470 H 49 ARG49 0.1312 677 CA 3.7120 7.7680 9.6680 C.3 49 ARG49 0.0879 678 HA 4.4663 8.1843 9.0018 H 49 ARG49 0.0557 679 C 3.3100 8.8240 10.6890 C.2 49 ARG49 0.2187 680 O 3.4210 9.9990 10.3970 O.2 49 ARG49 -0.2778 681 CB 2.4428 7.3676 8.9019 C.3 49 ARG49 -0.0258 682 HB1 2.7478 6.8487 7.9947 H 49 ARG49 0.0286 683 HB2 1.9046 8.2536 8.5612 H 49 ARG49 0.0286 684 CG 1.5228 6.4341 9.7265 C.3 49 ARG49 -0.0154 685 HG1 1.8021 6.4145 10.7800 H 49 ARG49 0.0299 686 HG2 1.6530 5.4104 9.3810 H 49 ARG49 0.0299 687 CD 0.0489 6.8112 9.6932 C.3 49 ARG49 0.1045 688 HD1 -0.0913 7.8475 10.0041 H 49 ARG49 0.0711 689 HD2 -0.5063 6.1478 10.3561 H 49 ARG49 0.0711 690 NE -0.4808 6.6513 8.3520 N.pl3 49 ARG49 -0.4450 691 HE 0.1436 6.4314 7.5923 H 49 ARG49 0.3153 692 CZ -1.7535 6.7521 8.0276 C.cat 49 ARG49 0.5062 693 NH1 -2.6662 7.0123 8.9244 N.pl3 49 ARG49 -0.4573 694 HH11 -3.6181 7.0961 8.6574 H 49 ARG49 0.3114 695 HH12 -2.3918 7.1168 9.8795 H 49 ARG49 0.3114 696 NH2 -2.0972 6.5843 6.7888 N.pl3 49 ARG49 -0.4573 697 HH21 -3.0229 6.6775 6.4518 H 49 ARG49 0.3114 698 HH22 -1.3572 6.3291 6.1514 H 49 ARG49 0.3114 699 N 3.0110 8.4250 11.9230 N.am 50 TYR50 -0.2453 700 H 3.0150 7.4290 12.1420 H 50 TYR50 0.1312 701 CA 2.6770 9.3860 12.9690 C.3 50 TYR50 0.0917 702 HA 2.1617 10.2247 12.5009 H 50 TYR50 0.0560 703 C 3.8960 9.9740 13.6780 C.2 50 TYR50 0.2190 704 O 3.7680 10.9060 14.4780 O.2 50 TYR50 -0.2778 705 CB 1.7463 8.7259 14.0018 C.3 50 TYR50 -0.0036 706 HB1 1.5246 9.4193 14.8134 H 50 TYR50 0.0333 707 HB2 2.2576 7.8787 14.4592 H 50 TYR50 0.0333 708 CG 0.4323 8.2693 13.4143 C.ar 50 TYR50 -0.0453 709 CD1 -0.4173 9.1671 12.7723 C.ar 50 TYR50 -0.0561 710 HD1 -0.1326 10.2050 12.6823 H 50 TYR50 0.0621 711 CD2 0.0315 6.9430 13.5411 C.ar 50 TYR50 -0.0561 712 HD2 0.6738 6.2317 14.0411 H 50 TYR50 0.0621 713 CE1 -1.6213 8.7360 12.2280 C.ar 50 TYR50 -0.0317 714 HE1 -2.2586 9.4329 11.7056 H 50 TYR50 0.0643 715 CE2 -1.1791 6.5132 13.0171 C.ar 50 TYR50 -0.0317 716 HE2 -1.4593 5.4738 13.1051 H 50 TYR50 0.0643 717 CZ -1.9955 7.4047 12.3383 C.ar 50 TYR50 0.0726 718 OH -3.1442 6.9508 11.7221 O.3 50 TYR50 -0.3598 719 HH -3.3285 6.0754 12.0439 H 50 TYR50 0.2173 720 N 5.1060 9.4780 13.3760 N.am 51 ILE51 -0.2454 721 H 5.1650 8.6630 12.7660 H 51 ILE51 0.1312 722 CA 6.3270 10.0580 13.8840 C.3 51 ILE51 0.0903 723 HA 6.0987 10.7415 14.7021 H 51 ILE51 0.0560 724 C 6.9430 10.8870 12.7450 C.2 51 ILE51 0.2189 725 O 6.4280 11.9800 12.4600 O.2 51 ILE51 -0.2778 726 CB 7.2106 8.9055 14.4039 C.3 51 ILE51 -0.0201 727 HB 7.4923 8.2756 13.5574 H 51 ILE51 0.0318 728 CG1 6.4564 7.9761 15.3772 C.3 51 ILE51 -0.0514 729 HG11 7.1312 7.1786 15.6860 H 51 ILE51 0.0266 730 HG12 5.6330 7.4814 14.8601 H 51 ILE51 0.0266 731 CG2 8.5000 9.4086 15.0559 C.3 51 ILE51 -0.0605 732 HG21 9.0000 8.5614 15.5128 H 51 ILE51 0.0233 733 HG22 8.3011 10.1456 15.8333 H 51 ILE51 0.0233 734 HG23 9.1851 9.8509 14.3333 H 51 ILE51 0.0233 735 CD1 5.9112 8.6675 16.6319 C.3 51 ILE51 -0.0650 736 HD11 5.4275 7.9410 17.2851 H 51 ILE51 0.0230 737 HD12 5.1687 9.4239 16.3792 H 51 ILE51 0.0230 738 HD13 6.7060 9.1470 17.2004 H 51 ILE51 0.0230 739 N 7.9730 10.3950 12.0520 N.am 52 ASN52 -0.2452 740 H 8.3430 9.4780 12.3030 H 52 ASN52 0.1312 741 CA 8.5820 11.1180 10.9570 C.3 52 ASN52 0.0957 742 HA 8.0660 12.1050 10.9090 H 52 ASN52 0.0562 743 C 8.4260 10.4850 9.5720 C.2 52 ASN52 0.2189 744 O 8.9820 10.9920 8.6000 O.2 52 ASN52 -0.2778 745 CB 10.0350 11.4120 11.2870 C.3 52 ASN52 0.0446 746 HB1 10.5800 11.8200 10.4040 H 52 ASN52 0.0375 747 HB2 10.5180 10.4440 11.5590 H 52 ASN52 0.0375 748 CG 10.1530 12.3220 12.4750 C.2 52 ASN52 0.2000 749 OD1 9.4380 13.3450 12.5240 O.2 52 ASN52 -0.2797 750 ND2 11.0450 12.0060 13.4150 N.am 52 ASN52 -0.2723 751 HD21 11.1250 12.6240 14.2220 H 52 ASN52 0.1266 752 HD22 11.6280 11.1730 13.3290 H 52 ASN52 0.1266 753 N 7.6650 9.4210 9.4900 N.am 53 GLY53 -0.2485 754 H 7.3090 8.9910 10.3440 H 53 GLY53 0.1309 755 CA 7.3180 8.8410 8.1950 C.3 53 GLY53 0.0765 756 HA1 6.8394 9.6129 7.5920 H 53 GLY53 0.0521 757 HA2 6.5867 8.0619 8.4018 H 53 GLY53 0.0521 758 C 8.4520 8.2150 7.4250 C.2 53 GLY53 0.2155 759 O 8.4170 8.1410 6.1920 O.2 53 GLY53 -0.2781 760 N 9.4820 7.7430 8.1090 N.am 54 HIS54 -0.2455 761 H 9.4590 7.7390 9.1290 H 54 HIS54 0.1312 762 CA 10.6480 7.2300 7.4050 C.3 54 HIS54 0.0932 763 HA 10.8400 7.9470 6.5730 H 54 HIS54 0.0561 764 C 10.3970 5.8810 6.7420 C.2 54 HIS54 0.2190 765 O 11.0140 5.5840 5.7270 O.2 54 HIS54 -0.2778 766 CB 11.9040 7.2580 8.2770 C.3 54 HIS54 0.0146 767 HB1 12.7190 6.6320 7.8440 H 54 HIS54 0.0348 768 HB2 11.6340 6.8180 9.2650 H 54 HIS54 0.0348 769 CG 12.3560 8.6540 8.5200 C.ar 54 HIS54 0.0551 770 ND1 12.5360 9.1880 9.7800 N.ar 54 HIS54 -0.2469 771 CD2 12.5780 9.6460 7.6340 C.ar 54 HIS54 0.0047 772 HD2 12.5100 9.5700 6.5360 H 54 HIS54 0.0764 773 CE1 12.8910 10.4540 9.6390 C.ar 54 HIS54 0.0737 774 HE1 13.1380 11.1430 10.4640 H 54 HIS54 0.0963 775 NE2 12.9040 10.7650 8.3520 N.ar 54 HIS54 -0.2539 776 HE2 13.1200 11.6820 7.9620 H 54 HIS54 0.1339 777 N 9.4870 5.0520 7.2770 N.am 55 MET55 -0.2456 778 H 9.0080 5.2810 8.1480 H 55 MET55 0.1312 779 CA 9.2100 3.8040 6.5600 C.3 55 MET55 0.0885 780 HA 10.1697 3.3715 6.2756 H 55 MET55 0.0557 781 C 8.4130 4.0860 5.2740 C.2 55 MET55 0.2187 782 O 8.6410 3.4460 4.2600 O.2 55 MET55 -0.2778 783 CB 8.4765 2.8332 7.4978 C.3 55 MET55 -0.0199 784 HB1 7.5080 3.2474 7.7822 H 55 MET55 0.0293 785 HB2 9.0398 2.7396 8.4264 H 55 MET55 0.0293 786 CG 8.2855 1.4385 6.8860 C.3 55 MET55 -0.0047 787 HG1 7.6033 1.4905 6.0396 H 55 MET55 0.0377 788 HG2 7.8104 0.7681 7.6023 H 55 MET55 0.0377 789 SD 9.8359 0.7076 6.3108 S.3 55 MET55 -0.1641 790 CE 10.3884 -0.0556 7.8466 C.3 55 MET55 -0.0181 791 HE1 11.4176 -0.4038 7.7565 H 55 MET55 0.0340 792 HE2 9.7410 -0.8926 8.1070 H 55 MET55 0.0340 793 HE3 10.3469 0.6695 8.6591 H 55 MET55 0.0340 794 N 7.4970 5.0460 5.3250 N.am 56 LEU56 -0.2456 795 H 7.2820 5.4960 6.2140 H 56 LEU56 0.1312 796 CA 6.8020 5.4560 4.1230 C.3 56 LEU56 0.0880 797 HA 6.3092 4.5676 3.7256 H 56 LEU56 0.0557 798 C 7.8070 5.9580 3.0880 C.2 56 LEU56 0.2187 799 O 7.6800 5.6330 1.9040 O.2 56 LEU56 -0.2778 800 CB 5.7602 6.5243 4.4962 C.3 56 LEU56 -0.0266 801 HB1 6.2608 7.3416 5.0164 H 56 LEU56 0.0287 802 HB2 5.0632 6.0968 5.2189 H 56 LEU56 0.0287 803 CG 4.9636 7.1005 3.3095 C.3 56 LEU56 -0.0449 804 HG 5.6651 7.5528 2.6079 H 56 LEU56 0.0296 805 CD1 4.1720 6.0217 2.5574 C.3 56 LEU56 -0.0626 806 HD11 3.6449 6.4500 1.7048 H 56 LEU56 0.0232 807 HD12 3.4245 5.5643 3.2053 H 56 LEU56 0.0232 808 HD13 4.8200 5.2336 2.1747 H 56 LEU56 0.0232 809 CD2 4.0202 8.2091 3.7927 C.3 56 LEU56 -0.0626 810 HD21 3.4766 8.6543 2.9593 H 56 LEU56 0.0232 811 HD22 4.5717 9.0054 4.2932 H 56 LEU56 0.0232 812 HD23 3.2854 7.8179 4.4982 H 56 LEU56 0.0232 813 N 8.8080 6.7260 3.5270 N.am 57 GLN57 -0.2456 814 H 8.8290 6.9910 4.5120 H 57 GLN57 0.1312 815 CA 9.8680 7.1980 2.6520 C.3 57 GLN57 0.0882 816 HA 9.3963 7.7481 1.8365 H 57 GLN57 0.0557 817 C 10.6450 6.0120 2.0670 C.2 57 GLN57 0.2187 818 O 10.9570 5.9850 0.8720 O.2 57 GLN57 -0.2778 819 CB 10.8091 8.1095 3.4575 C.3 57 GLN57 -0.0210 820 HB1 11.2042 7.5555 4.3080 H 57 GLN57 0.0289 821 HB2 10.2323 8.9331 3.8808 H 57 GLN57 0.0289 822 CG 11.9759 8.6676 2.6237 C.3 57 GLN57 0.0225 823 HG1 11.6015 9.2858 1.8083 H 57 GLN57 0.0356 824 HG2 12.5620 7.8658 2.1774 H 57 GLN57 0.0356 825 CD 12.9226 9.5139 3.4799 C.2 57 GLN57 0.1981 826 OE1 12.9608 10.7320 3.3787 O.2 57 GLN57 -0.2798 827 NE2 13.6823 8.7938 4.3199 N.am 57 GLN57 -0.2724 828 HE21 14.3355 9.2561 4.9195 H 57 GLN57 0.1266 829 HE22 13.6162 7.7983 4.3828 H 57 GLN57 0.1266 830 N 10.9540 5.0150 2.9050 N.am 58 HIS58 -0.2453 831 H 10.6900 5.0940 3.8870 H 58 HIS58 0.1312 832 CA 11.6500 3.8310 2.4580 C.3 58 HIS58 0.0932 833 HA 12.6180 4.1520 2.0070 H 58 HIS58 0.0561 834 C 10.8610 3.0930 1.3910 C.2 58 HIS58 0.2191 835 O 11.4070 2.6630 0.3890 O.2 58 HIS58 -0.2778 836 CB 11.9600 2.9120 3.6190 C.3 58 HIS58 0.0151 837 HB1 11.0420 2.7100 4.2190 H 58 HIS58 0.0349 838 HB2 12.6760 3.4500 4.2830 H 58 HIS58 0.0349 839 CG 12.6190 1.6260 3.2040 C.2 58 HIS58 0.0630 840 ND1 13.8930 1.5780 2.6520 N.2 58 HIS58 -0.2388 841 CD2 12.1680 0.3490 3.2090 C.2 58 HIS58 0.0507 842 HD2 11.1820 0.0110 3.5690 H 58 HIS58 0.0848 843 CE1 14.1970 0.3120 2.3970 C.2 58 HIS58 0.1163 844 HE1 15.1640 -0.0480 2.0060 H 58 HIS58 0.1047 845 NE2 13.1540 -0.4510 2.6870 N.2 58 HIS58 -0.2420 846 N 9.5740 2.9450 1.6130 N.am 59 HIS59 -0.2453 847 H 9.1640 3.2440 2.4980 H 59 HIS59 0.1312 848 CA 8.7310 2.3420 0.5660 C.3 59 HIS59 0.0932 849 HA 9.0897 1.3291 0.3785 H 59 HIS59 0.0561 850 C 8.8240 3.1390 -0.7500 C.2 59 HIS59 0.2188 851 O 8.9490 2.5540 -1.8190 O.2 59 HIS59 -0.2778 852 CB 7.2843 2.2884 1.0947 C.3 59 HIS59 0.0146 853 HB1 7.0400 3.1998 1.6401 H 59 HIS59 0.0348 854 HB2 7.1719 1.4638 1.7974 H 59 HIS59 0.0348 855 CG 6.2892 2.1323 -0.0343 C.ar 59 HIS59 0.0551 856 ND1 6.2302 1.0620 -0.8553 N.ar 59 HIS59 -0.2469 857 CD2 5.4018 3.1087 -0.5160 C.ar 59 HIS59 0.0047 858 HD2 5.2489 4.0908 -0.0931 H 59 HIS59 0.0764 859 CE1 5.3139 1.3675 -1.7899 C.ar 59 HIS59 0.0737 860 HE1 5.0270 0.7081 -2.5945 H 59 HIS59 0.0963 861 NE2 4.7904 2.5925 -1.6054 N.ar 59 HIS59 -0.2539 862 HE2 4.1069 3.0267 -2.1568 H 59 HIS59 0.1339 863 N 8.7620 4.4580 -0.6350 N.am 60 GLY60 -0.2485 864 H 8.6830 4.8910 0.2850 H 60 GLY60 0.1309 865 CA 8.8080 5.2780 -1.8260 C.3 60 GLY60 0.0765 866 HA1 8.6750 6.3118 -1.5098 H 60 GLY60 0.0521 867 HA2 7.9771 4.9952 -2.4745 H 60 GLY60 0.0521 868 C 10.1180 5.1390 -2.5660 C.2 60 GLY60 0.2155 869 O 10.1210 5.1510 -3.8160 O.2 60 GLY60 -0.2781 870 N 11.2400 4.9840 -1.8660 N.am 61 ASN61 -0.2454 871 H 11.2020 4.8640 -0.8540 H 61 ASN61 0.1312 872 CA 12.5160 4.9870 -2.5540 C.3 61 ASN61 0.0957 873 HA 12.4047 5.5086 -3.5069 H 61 ASN61 0.0562 874 C 13.0660 3.6300 -2.8820 C.2 61 ASN61 0.2192 875 O 14.0400 3.5150 -3.6350 O.2 61 ASN61 -0.2778 876 CB 13.5346 5.7964 -1.7260 C.3 61 ASN61 0.0446 877 HB1 13.1541 6.8080 -1.5835 H 61 ASN61 0.0375 878 HB2 14.4743 5.8935 -2.2701 H 61 ASN61 0.0375 879 CG 13.8532 5.1945 -0.3424 C.2 61 ASN61 0.2000 880 OD1 13.9469 3.9888 -0.1596 O.2 61 ASN61 -0.2797 881 ND2 14.0210 6.1129 0.6206 N.am 61 ASN61 -0.2723 882 HD21 14.2407 5.8069 1.5466 H 61 ASN61 0.1266 883 HD22 13.9313 7.0906 0.4374 H 61 ASN61 0.1266 884 N 12.3870 2.5750 -2.3950 N.am 62 SER62 -0.2436 885 H 11.5590 2.7440 -1.8240 H 62 SER62 0.1312 886 CA 12.7950 1.1910 -2.6550 C.3 62 SER62 0.1109 887 HA 13.6743 1.2180 -3.3001 H 62 SER62 0.0580 888 C 11.7550 0.3790 -3.4260 C.2 62 SER62 0.2207 889 O 12.1080 -0.6080 -4.0790 O.2 62 SER62 -0.2777 890 CB 13.2070 0.4854 -1.3464 C.3 62 SER62 0.0681 891 HB1 13.9191 1.1084 -0.7939 H 62 SER62 0.0577 892 HB2 13.7455 -0.4297 -1.5972 H 62 SER62 0.0577 893 OG 12.1389 0.1108 -0.4899 O.3 62 SER62 -0.3930 894 HG 11.5913 0.8793 -0.3445 H 62 SER62 0.2095 895 N 10.4870 0.7350 -3.2580 N.am 63 GLY63 -0.2484 896 H 10.2960 1.6250 -2.7980 H 63 GLY63 0.1309 897 CA 9.3490 -0.0720 -3.6930 C.3 63 GLY63 0.0765 898 HA1 9.5225 -0.3773 -4.7256 H 63 GLY63 0.0521 899 HA2 8.4791 0.5850 -3.6780 H 63 GLY63 0.0521 900 C 9.0480 -1.2930 -2.8450 C.2 63 GLY63 0.2155 901 O 8.1500 -2.0730 -3.1800 O.2 63 GLY63 -0.2781 902 N 9.7420 -1.4660 -1.7190 N.am 64 HIS64 -0.2455 903 H 10.4480 -0.7850 -1.4400 H 64 HIS64 0.1312 904 CA 9.4810 -2.6410 -0.8890 C.3 64 HIS64 0.0934 905 HA 9.5240 -3.5470 -1.5380 H 64 HIS64 0.0561 906 C 8.0830 -2.5350 -0.3050 C.2 64 HIS64 0.2217 907 O 7.6760 -1.4940 0.1780 O.2 64 HIS64 -0.2776 908 CB 10.5280 -2.7840 0.2070 C.3 64 HIS64 0.0146 909 HB1 10.2290 -3.5650 0.9440 H 64 HIS64 0.0348 910 HB2 10.5690 -1.8130 0.7530 H 64 HIS64 0.0348 911 CG 11.8910 -3.0490 -0.3250 C.ar 64 HIS64 0.0551 912 ND1 13.0300 -2.9090 0.4360 N.ar 64 HIS64 -0.2469 913 CD2 12.2970 -3.3650 -1.5810 C.ar 64 HIS64 0.0047 914 HD2 11.6510 -3.4980 -2.4650 H 64 HIS64 0.0764 915 CE1 14.0800 -3.2000 -0.3230 C.ar 64 HIS64 0.0737 916 HE1 15.1310 -3.2020 0.0110 H 64 HIS64 0.0963 917 NE2 13.6630 -3.4870 -1.5430 N.ar 64 HIS64 -0.2539 918 HE2 14.2580 -3.7550 -2.3270 H 64 HIS64 0.1339 919 N 7.2990 -3.6430 -0.3790 N.am 65 PRO65 -0.2316 920 CA 5.8730 -3.5250 -0.1410 C.3 65 PRO65 0.0907 921 HA 5.5109 -2.5782 -0.5465 H 65 PRO65 0.0559 922 C 5.3860 -3.6460 1.2980 C.2 65 PRO65 0.2189 923 O 4.4750 -2.9060 1.7020 O.2 65 PRO65 -0.2778 924 CB 5.3181 -4.7048 -0.9342 C.3 65 PRO65 -0.0276 925 HB1 5.2042 -4.4160 -1.9782 H 65 PRO65 0.0285 926 HB2 4.3408 -5.0461 -0.5871 H 65 PRO65 0.0285 927 CG 6.4029 -5.7730 -0.8439 C.3 65 PRO65 -0.0379 928 HG1 6.3677 -6.4233 -1.7140 H 65 PRO65 0.0278 929 HG2 6.2685 -6.3874 0.0469 H 65 PRO65 0.0278 930 CD 7.7158 -4.9920 -0.7729 C.3 65 PRO65 0.0071 931 HD1 8.4274 -5.3850 -0.0448 H 65 PRO65 0.0431 932 HD2 8.1455 -4.9573 -1.7732 H 65 PRO65 0.0431 933 N 5.9420 -4.6140 2.0120 N.am 66 LEU66 -0.2456 934 H 6.8000 -5.0460 1.6700 H 66 LEU66 0.1312 935 CA 5.3680 -5.0850 3.2740 C.3 66 LEU66 0.0880 936 HA 4.4107 -4.5960 3.4342 H 66 LEU66 0.0557 937 C 6.2740 -4.8110 4.4470 C.2 66 LEU66 0.2187 938 O 7.5000 -5.0820 4.3730 O.2 66 LEU66 -0.2778 939 CB 5.1646 -6.6060 3.1376 C.3 66 LEU66 -0.0266 940 HB1 5.0852 -7.0821 4.1137 H 66 LEU66 0.0287 941 HB2 6.0583 -7.0337 2.6797 H 66 LEU66 0.0287 942 CG 3.9164 -6.9922 2.3245 C.3 66 LEU66 -0.0449 943 HG 3.7651 -6.2646 1.5254 H 66 LEU66 0.0296 944 CD1 4.0976 -8.3629 1.6669 C.3 66 LEU66 -0.0626 945 HD11 3.2137 -8.6432 1.0927 H 66 LEU66 0.0232 946 HD12 4.2675 -9.1311 2.4194 H 66 LEU66 0.0232 947 HD13 4.9510 -8.3634 0.9893 H 66 LEU66 0.0232 948 CD2 2.6683 -7.0012 3.2187 C.3 66 LEU66 -0.0626 949 HD21 1.7870 -7.3127 2.6573 H 66 LEU66 0.0232 950 HD22 2.4731 -6.0132 3.6348 H 66 LEU66 0.0232 951 HD23 2.7829 -7.6957 4.0510 H 66 LEU66 0.0232 952 N 5.6940 -4.2890 5.5220 N.am 67 VAL67 -0.2454 953 H 4.6830 -4.1540 5.5160 H 67 VAL67 0.1312 954 CA 6.4470 -3.8990 6.7150 C.3 67 VAL67 0.0901 955 HA 7.4318 -4.3684 6.6782 H 67 VAL67 0.0560 956 C 5.7310 -4.4100 7.9500 C.2 67 VAL67 0.2189 957 O 4.5200 -4.5170 7.9510 O.2 67 VAL67 -0.2778 958 CB 6.5796 -2.3589 6.7126 C.3 67 VAL67 -0.0227 959 HB 7.0963 -2.0702 7.6279 H 67 VAL67 0.0315 960 CG1 7.4272 -1.8691 5.5297 C.3 67 VAL67 -0.0608 961 HG11 7.6425 -0.8088 5.6201 H 67 VAL67 0.0233 962 HG12 6.9170 -2.0198 4.5777 H 67 VAL67 0.0233 963 HG13 8.3810 -2.3791 5.4698 H 67 VAL67 0.0233 964 CG2 5.2195 -1.6396 6.6755 C.3 67 VAL67 -0.0608 965 HG21 5.3362 -0.5735 6.8724 H 67 VAL67 0.0233 966 HG22 4.5281 -2.0337 7.4134 H 67 VAL67 0.0233 967 HG23 4.7372 -1.7445 5.7031 H 67 VAL67 0.0233 968 N 6.5130 -4.7380 8.9830 N.am 68 LEU68 -0.2456 969 H 7.5130 -4.5550 8.9050 H 68 LEU68 0.1312 970 CA 6.0210 -5.3400 10.2110 C.3 68 LEU68 0.0880 971 HA 4.9614 -5.5680 10.0934 H 68 LEU68 0.0557 972 C 6.1850 -4.3460 11.3710 C.2 68 LEU68 0.2187 973 O 7.2880 -3.7910 11.5950 O.2 68 LEU68 -0.2778 974 CB 6.8176 -6.6372 10.4413 C.3 68 LEU68 -0.0266 975 HB1 7.8773 -6.4133 10.3435 H 68 LEU68 0.0287 976 HB2 6.5915 -7.3227 9.6269 H 68 LEU68 0.0287 977 CG 6.5827 -7.3602 11.7830 C.3 68 LEU68 -0.0449 978 HG 6.8332 -6.6778 12.5967 H 68 LEU68 0.0296 979 CD1 5.1219 -7.7889 11.9533 C.3 68 LEU68 -0.0626 980 HD11 4.9879 -8.3546 12.8750 H 68 LEU68 0.0232 981 HD12 4.7961 -8.4128 11.1215 H 68 LEU68 0.0232 982 HD13 4.4648 -6.9241 12.0064 H 68 LEU68 0.0232 983 CD2 7.5123 -8.5767 11.9080 C.3 68 LEU68 -0.0626 984 HD21 7.3857 -9.0749 12.8697 H 68 LEU68 0.0232 985 HD22 8.5591 -8.2816 11.8249 H 68 LEU68 0.0232 986 HD23 7.3114 -9.3096 11.1258 H 68 LEU68 0.0232 987 N 5.1010 -4.1310 12.1210 N.am 69 SER69 -0.2436 988 H 4.2440 -4.6420 11.9100 H 69 SER69 0.1312 989 CA 5.1070 -3.1770 13.2450 C.3 69 SER69 0.1109 990 HA 5.6400 -2.2733 12.9419 H 69 SER69 0.0580 991 C 5.7490 -3.7830 14.4840 C.2 69 SER69 0.2209 992 O 5.3770 -4.8740 14.9630 O.2 69 SER69 -0.2777 993 CB 3.6459 -2.8537 13.5759 C.3 69 SER69 0.0681 994 HB1 3.0959 -3.8008 13.6333 H 69 SER69 0.0577 995 HB2 3.2017 -2.2749 12.7607 H 69 SER69 0.0577 996 OG 3.5315 -2.1331 14.7994 O.3 69 SER69 -0.3930 997 HG 2.5994 -2.0360 15.0180 H 69 SER69 0.2095 998 N 6.6990 -3.0350 15.0430 N.am 70 TYR70 -0.2453 999 H 7.0440 -2.2080 14.5570 H 70 TYR70 0.1312 1000 CA 7.2450 -3.3890 16.3380 C.3 70 TYR70 0.0917 1001 HA 7.3284 -4.4739 16.3922 H 70 TYR70 0.0560 1002 C 6.3770 -3.0010 17.5160 C.2 70 TYR70 0.2190 1003 O 6.7510 -3.2910 18.6670 O.2 70 TYR70 -0.2778 1004 CB 8.6398 -2.7410 16.4955 C.3 70 TYR70 -0.0036 1005 HB1 8.9910 -2.8511 17.5227 H 70 TYR70 0.0333 1006 HB2 8.5659 -1.6667 16.3204 H 70 TYR70 0.0333 1007 CG 9.7455 -3.2988 15.6251 C.ar 70 TYR70 -0.0453 1008 CD1 9.6846 -4.5628 15.0335 C.ar 70 TYR70 -0.0561 1009 HD1 8.7972 -5.1724 15.0821 H 70 TYR70 0.0621 1010 CD2 10.9330 -2.5763 15.5180 C.ar 70 TYR70 -0.0561 1011 HD2 11.0270 -1.6121 15.9955 H 70 TYR70 0.0621 1012 CE1 10.7970 -5.1020 14.4002 C.ar 70 TYR70 -0.0317 1013 HE1 10.7579 -6.0938 13.9759 H 70 TYR70 0.0643 1014 CE2 12.0446 -3.1138 14.8829 C.ar 70 TYR70 -0.0317 1015 HE2 12.9728 -2.5628 14.8559 H 70 TYR70 0.0643 1016 CZ 11.9833 -4.3892 14.3453 C.ar 70 TYR70 0.0726 1017 OH 13.0994 -4.9615 13.7724 O.3 70 TYR70 -0.3598 1018 HH 13.8724 -4.4747 14.0377 H 70 TYR70 0.2173 1019 N 5.2130 -2.4250 17.2640 N.am 71 ILE71 -0.2454 1020 H 4.9760 -2.1810 16.3020 H 71 ILE71 0.1312 1021 CA 4.2640 -2.1310 18.3250 C.3 71 ILE71 0.0903 1022 HA 4.8050 -2.0612 19.2686 H 71 ILE71 0.0560 1023 C 3.2280 -3.2200 18.5050 C.2 71 ILE71 0.2189 1024 O 2.9080 -3.5530 19.6540 O.2 71 ILE71 -0.2778 1025 CB 3.6061 -0.7437 18.0810 C.3 71 ILE71 -0.0201 1026 HB 3.3174 -0.6771 17.0322 H 71 ILE71 0.0318 1027 CG1 4.6263 0.3827 18.3573 C.3 71 ILE71 -0.0514 1028 HG11 5.4603 0.2933 17.6599 H 71 ILE71 0.0266 1029 HG12 5.0484 0.2586 19.3546 H 71 ILE71 0.0266 1030 CG2 2.3159 -0.5284 18.9046 C.3 71 ILE71 -0.0605 1031 HG21 1.8430 0.4240 18.6684 H 71 ILE71 0.0233 1032 HG22 2.5174 -0.5503 19.9754 H 71 ILE71 0.0233 1033 HG23 1.5579 -1.2805 18.6860 H 71 ILE71 0.0233 1034 CD1 4.0472 1.8011 18.2525 C.3 71 ILE71 -0.0650 1035 HD11 4.8189 2.5516 18.4187 H 71 ILE71 0.0230 1036 HD12 3.2808 1.9868 19.0037 H 71 ILE71 0.0230 1037 HD13 3.6069 1.9768 17.2708 H 71 ILE71 0.0230 1038 N 2.6770 -3.7520 17.4100 N.am 72 ASP72 -0.2451 1039 H 2.9850 -3.4480 16.4860 H 72 ASP72 0.1312 1040 CA 1.6290 -4.7730 17.5330 C.3 72 ASP72 0.0974 1041 HA 1.5881 -5.1454 18.5559 H 72 ASP72 0.0563 1042 C 1.7990 -5.9860 16.6270 C.2 72 ASP72 0.2192 1043 O 0.9360 -6.8420 16.6230 O.2 72 ASP72 -0.2778 1044 CB 0.2836 -4.1003 17.1807 C.3 72 ASP72 0.0576 1045 HB1 0.1777 -3.1455 17.6930 H 72 ASP72 0.0394 1046 HB2 -0.5488 -4.7265 17.5023 H 72 ASP72 0.0394 1047 CG 0.1389 -3.8507 15.6683 C.2 72 ASP72 0.1780 1048 OD1 1.1120 -3.4619 15.0329 O.co2 72 ASP72 -0.6478 1049 OD2 -0.9395 -4.0663 15.1371 O.co2 72 ASP72 -0.6478 1050 N 2.9180 -6.0720 15.8950 N.am 73 LEU73 -0.2456 1051 H 3.5870 -5.3030 15.9430 H 73 LEU73 0.1312 1052 CA 3.2310 -7.2100 15.0310 C.3 73 LEU73 0.0880 1053 HA 4.1801 -6.9550 14.5643 H 73 LEU73 0.0557 1054 C 2.2190 -7.3500 13.9010 C.2 73 LEU73 0.2187 1055 O 2.0980 -8.4340 13.3290 O.2 73 LEU73 -0.2778 1056 CB 3.3890 -8.5159 15.8376 C.3 73 LEU73 -0.0266 1057 HB1 3.7601 -9.3003 15.1761 H 73 LEU73 0.0287 1058 HB2 2.4101 -8.8534 16.1802 H 73 LEU73 0.0287 1059 CG 4.3267 -8.4062 17.0565 C.3 73 LEU73 -0.0449 1060 HG 3.9042 -7.6887 17.7607 H 73 LEU73 0.0296 1061 CD1 4.4137 -9.7521 17.7832 C.3 73 LEU73 -0.0626 1062 HD11 5.0057 -9.6645 18.6928 H 73 LEU73 0.0232 1063 HD12 4.8774 -10.5096 17.1505 H 73 LEU73 0.0232 1064 HD13 3.4245 -10.1106 18.0680 H 73 LEU73 0.0232 1065 CD2 5.7282 -7.9206 16.6660 C.3 73 LEU73 -0.0626 1066 HD21 6.4241 -7.9982 17.5020 H 73 LEU73 0.0232 1067 HD22 5.7145 -6.8792 16.3503 H 73 LEU73 0.0232 1068 HD23 6.1238 -8.5111 15.8410 H 73 LEU73 0.0232 1069 N 1.5600 -6.2690 13.5230 N.am 74 SER74 -0.2436 1070 H 1.6090 -5.4210 14.0880 H 74 SER74 0.1312 1071 CA 0.7620 -6.2830 12.3000 C.3 74 SER74 0.1109 1072 HA 0.2921 -7.2588 12.2056 H 74 SER74 0.0580 1073 C 1.6740 -6.0230 11.1120 C.2 74 SER74 0.2209 1074 O 2.7260 -5.4160 11.2480 O.2 74 SER74 -0.2777 1075 CB -0.3447 -5.2150 12.3196 C.3 74 SER74 0.0681 1076 HB1 -1.0295 -5.3747 13.1599 H 74 SER74 0.0577 1077 HB2 -0.9728 -5.3248 11.4358 H 74 SER74 0.0577 1078 OG 0.1688 -3.8938 12.2784 O.3 74 SER74 -0.3930 1079 HG 0.3734 -3.5959 13.1714 H 74 SER74 0.2095 1080 N 1.2590 -6.4610 9.9460 N.am 75 ALA75 -0.2459 1081 H 0.3810 -6.9780 9.9100 H 75 ALA75 0.1312 1082 CA 1.9870 -6.2480 8.6950 C.3 75 ALA75 0.0850 1083 HA 2.8942 -5.7002 8.9266 H 75 ALA75 0.0554 1084 C 1.1310 -5.4050 7.7670 C.2 75 ALA75 0.2184 1085 O -0.0390 -5.7000 7.5580 O.2 75 ALA75 -0.2778 1086 CB 2.3520 -7.5913 8.0549 C.3 75 ALA75 -0.0411 1087 HB1 2.9144 -7.4449 7.1311 H 75 ALA75 0.0249 1088 HB2 1.4641 -8.1736 7.8155 H 75 ALA75 0.0249 1089 HB3 2.9738 -8.1837 8.7259 H 75 ALA75 0.0249 1090 N 1.7310 -4.3570 7.2160 N.am 76 TRP76 -0.2453 1091 H 2.7190 -4.2130 7.4260 H 76 TRP76 0.1312 1092 CA 1.0820 -3.3990 6.3350 C.3 76 TRP76 0.0918 1093 HA 0.0226 -3.6449 6.2482 H 76 TRP76 0.0560 1094 C 1.7170 -3.4830 4.9560 C.2 76 TRP76 0.2190 1095 O 2.9460 -3.5240 4.8310 O.2 76 TRP76 -0.2778 1096 CB 1.2483 -1.9907 6.9314 C.3 76 TRP76 -0.0021 1097 HB1 2.3017 -1.7665 7.0963 H 76 TRP76 0.0334 1098 HB2 0.7603 -1.9354 7.9049 H 76 TRP76 0.0334 1099 CG 0.6655 -0.9325 6.0155 C.ar 76 TRP76 -0.0260 1100 CD1 1.3723 -0.1998 5.0577 C.ar 76 TRP76 -0.0136 1101 HD1 2.4258 -0.3094 4.8438 H 76 TRP76 0.0748 1102 CD2 -0.7000 -0.4747 5.9525 C.ar 76 TRP76 -0.0028 1103 NE1 0.5256 0.6541 4.4336 N.ar 76 TRP76 -0.2641 1104 HE1 0.7793 1.2822 3.7256 H 76 TRP76 0.1331 1105 CE2 -0.7533 0.5268 4.9583 C.ar 76 TRP76 0.0269 1106 CE3 -1.8323 -0.8122 6.6388 C.ar 76 TRP76 -0.0528 1107 HE3 -1.7864 -1.5955 7.3745 H 76 TRP76 0.0624 1108 CZ2 -1.9295 1.1800 4.7073 C.ar 76 TRP76 -0.0430 1109 HZ2 -1.9565 1.9594 3.9603 H 76 TRP76 0.0633 1110 CZ3 -3.0339 -0.1512 6.3855 C.ar 76 TRP76 -0.0611 1111 HZ3 -3.9270 -0.4188 6.9284 H 76 TRP76 0.0618 1112 CH2 -3.0808 0.8545 5.4225 C.ar 76 TRP76 -0.0602 1113 HH2 -4.0084 1.3662 5.2136 H 76 TRP76 0.0618 1114 N 0.8730 -3.4700 3.9240 N.am 77 CYS77 -0.2452 1115 H -0.1280 -3.5230 4.1130 H 77 CYS77 0.1312 1116 CA 1.3160 -3.3830 2.5390 C.3 77 CYS77 0.0872 1117 HA 2.4150 -3.5670 2.5000 H 77 CYS77 0.0562 1118 C 1.0320 -1.9710 2.0170 C.2 77 CYS77 0.2191 1119 O -0.1190 -1.5430 2.0080 O.2 77 CYS77 -0.2778 1120 CB 0.6170 -4.4010 1.6540 C.3 77 CYS77 -0.0998 1121 HB1 -0.4920 -4.3000 1.7120 H 77 CYS77 0.0295 1122 HB2 0.8800 -5.4140 2.0390 H 77 CYS77 0.0295 1123 SG 1.2020 -4.3020 -0.0480 S.2 77 CYS77 -0.9301 1124 N 2.0570 -1.2940 1.5760 N.am 78 TYR78 -0.2453 1125 H 2.9800 -1.7270 1.6000 H 78 TYR78 0.1312 1126 CA 1.9270 0.0670 1.0470 C.3 78 TYR78 0.0917 1127 HA 1.2726 0.6151 1.7274 H 78 TYR78 0.0560 1128 C 1.2800 0.1240 -0.3180 C.2 78 TYR78 0.2190 1129 O 0.7660 1.1910 -0.6780 O.2 78 TYR78 -0.2778 1130 CB 3.2996 0.7455 0.9921 C.3 78 TYR78 -0.0036 1131 HB1 3.2419 1.6404 0.3733 H 78 TYR78 0.0333 1132 HB2 4.0292 0.0841 0.5233 H 78 TYR78 0.0333 1133 CG 3.7904 1.1830 2.3455 C.ar 78 TYR78 -0.0453 1134 CD1 3.3101 2.3590 2.9168 C.ar 78 TYR78 -0.0561 1135 HD1 2.5517 2.9374 2.4091 H 78 TYR78 0.0621 1136 CD2 4.7669 0.4563 3.0171 C.ar 78 TYR78 -0.0561 1137 HD2 5.1543 -0.4567 2.5875 H 78 TYR78 0.0621 1138 CE1 3.8021 2.8058 4.1362 C.ar 78 TYR78 -0.0317 1139 HE1 3.4231 3.7174 4.5752 H 78 TYR78 0.0643 1140 CE2 5.2690 0.9134 4.2279 C.ar 78 TYR78 -0.0317 1141 HE2 6.0355 0.3573 4.7377 H 78 TYR78 0.0643 1142 CZ 4.7887 2.0859 4.7897 C.ar 78 TYR78 0.0726 1143 OH 5.2959 2.5369 5.9908 O.3 78 TYR78 -0.3598 1144 HH 4.7375 3.2273 6.3278 H 78 TYR78 0.2173 1145 N 1.2940 -0.9650 -1.0890 N.am 79 TYR79 -0.2453 1146 H 1.7760 -1.8020 -0.7620 H 79 TYR79 0.1312 1147 CA 0.6260 -0.9830 -2.4050 C.3 79 TYR79 0.0917 1148 HA 0.7702 -0.0152 -2.8884 H 79 TYR79 0.0560 1149 C -0.8580 -1.2120 -2.2130 C.2 79 TYR79 0.2190 1150 O -1.7020 -0.4640 -2.7620 O.2 79 TYR79 -0.2778 1151 CB 1.1932 -2.1194 -3.2552 C.3 79 TYR79 -0.0036 1152 HB1 0.5470 -2.3235 -4.1105 H 79 TYR79 0.0333 1153 HB2 1.2308 -3.0273 -2.6540 H 79 TYR79 0.0333 1154 CG 2.5679 -1.8118 -3.7694 C.ar 79 TYR79 -0.0453 1155 CD1 2.7356 -1.1641 -4.9891 C.ar 79 TYR79 -0.0561 1156 HD1 1.8720 -0.8629 -5.5642 H 79 TYR79 0.0621 1157 CD2 3.6866 -2.1847 -3.0368 C.ar 79 TYR79 -0.0561 1158 HD2 3.5623 -2.6750 -2.0813 H 79 TYR79 0.0621 1159 CE1 4.0089 -0.9005 -5.4750 C.ar 79 TYR79 -0.0317 1160 HE1 4.1399 -0.3955 -6.4202 H 79 TYR79 0.0643 1161 CE2 4.9589 -1.9282 -3.5242 C.ar 79 TYR79 -0.0317 1162 HE2 5.8151 -2.2185 -2.9385 H 79 TYR79 0.0643 1163 CZ 5.1215 -1.2870 -4.7446 C.ar 79 TYR79 0.0726 1164 OH 6.3831 -1.0208 -5.2318 O.3 79 TYR79 -0.3598 1165 HH 7.0288 -1.3532 -4.6231 H 79 TYR79 0.2173 1166 N -1.1920 -2.2360 -1.4080 N.am 80 CYS80 -0.2452 1167 H -0.4530 -2.7750 -0.9570 H 80 CYS80 0.1312 1168 CA -2.6000 -2.5990 -1.1610 C.3 80 CYS80 0.0872 1169 HA -3.1600 -2.5290 -2.1230 H 80 CYS80 0.0562 1170 C -3.2390 -1.6420 -0.1520 C.2 80 CYS80 0.2191 1171 O -4.4810 -1.5870 -0.0530 O.2 80 CYS80 -0.2778 1172 CB -2.6720 -4.0440 -0.6570 C.3 80 CYS80 -0.0998 1173 HB1 -3.7030 -4.2910 -0.3130 H 80 CYS80 0.0295 1174 HB2 -2.0020 -4.1170 0.2310 H 80 CYS80 0.0295 1175 SG -2.0920 -5.2560 -1.8630 S.2 80 CYS80 -0.9301 1176 N -2.4200 -0.9030 0.5930 N.am 81 GLN81 -0.2456 1177 H -1.4140 -0.9840 0.4450 H 81 GLN81 0.1312 1178 CA -2.9110 0.0280 1.6240 C.3 81 GLN81 0.0882 1179 HA -2.0132 0.2916 2.1795 H 81 GLN81 0.0557 1180 C -3.8540 -0.6670 2.5920 C.2 81 GLN81 0.2187 1181 O -5.0060 -0.2680 2.8490 O.2 81 GLN81 -0.2778 1182 CB -3.4980 1.2977 0.9923 C.3 81 GLN81 -0.0210 1183 HB1 -3.7825 1.9831 1.7923 H 81 GLN81 0.0289 1184 HB2 -4.4116 1.0627 0.4442 H 81 GLN81 0.0289 1185 CG -2.4884 1.9803 0.0539 C.3 81 GLN81 0.0225 1186 HG1 -2.3591 1.4045 -0.8627 H 81 GLN81 0.0356 1187 HG2 -1.5083 2.0469 0.5278 H 81 GLN81 0.0356 1188 CD -2.9518 3.3941 -0.3194 C.2 81 GLN81 0.1981 1189 OE1 -3.7402 3.5997 -1.2318 O.2 81 GLN81 -0.2798 1190 NE2 -2.4112 4.3562 0.4442 N.am 81 GLN81 -0.2724 1191 HE21 -2.6533 5.3094 0.2728 H 81 GLN81 0.1266 1192 HE22 -1.7702 4.1368 1.1794 H 81 GLN81 0.1266 1193 N -3.3210 -1.7420 3.1380 N.am 82 ALA82 -0.2459 1194 H -2.3440 -1.9590 2.9400 H 82 ALA82 0.1312 1195 CA -4.0700 -2.6310 4.0110 C.3 82 ALA82 0.0850 1196 HA -4.6726 -2.0154 4.6805 H 82 ALA82 0.0554 1197 C -3.1270 -3.4810 4.8470 C.2 82 ALA82 0.2184 1198 O -1.9850 -3.7170 4.4460 O.2 82 ALA82 -0.2778 1199 CB -4.9529 -3.5414 3.1465 C.3 82 ALA82 -0.0411 1200 HB1 -5.5323 -4.2376 3.7533 H 82 ALA82 0.0249 1201 HB2 -4.3461 -4.1227 2.4509 H 82 ALA82 0.0249 1202 HB3 -5.6552 -2.9557 2.5532 H 82 ALA82 0.0249 1203 N -3.6270 -3.9470 5.9910 N.am 83 TYR83 -0.2453 1204 H -4.5050 -3.5590 6.3360 H 83 TYR83 0.1312 1205 CA -2.9790 -4.9740 6.7580 C.3 83 TYR83 0.0917 1206 HA -1.9202 -4.7322 6.7437 H 83 TYR83 0.0560 1207 C -3.1980 -6.3260 6.1420 C.2 83 TYR83 0.2190 1208 O -4.2510 -6.5970 5.5250 O.2 83 TYR83 -0.2778 1209 CB -3.5008 -4.9792 8.2063 C.3 83 TYR83 -0.0036 1210 HB1 -2.9796 -5.7402 8.7887 H 83 TYR83 0.0333 1211 HB2 -4.5585 -5.2473 8.2246 H 83 TYR83 0.0333 1212 CG -3.3225 -3.6519 8.8965 C.ar 83 TYR83 -0.0453 1213 CD1 -2.1085 -3.3127 9.4911 C.ar 83 TYR83 -0.0561 1214 HD1 -1.2734 -3.9970 9.4550 H 83 TYR83 0.0621 1215 CD2 -4.3779 -2.7463 8.9576 C.ar 83 TYR83 -0.0561 1216 HD2 -5.3288 -2.9910 8.5077 H 83 TYR83 0.0621 1217 CE1 -1.9460 -2.0787 10.1127 C.ar 83 TYR83 -0.0317 1218 HE1 -0.9956 -1.8186 10.5553 H 83 TYR83 0.0643 1219 CE2 -4.2162 -1.5140 9.5764 C.ar 83 TYR83 -0.0317 1220 HE2 -5.0298 -0.8051 9.6042 H 83 TYR83 0.0643 1221 CZ -2.9980 -1.1720 10.1413 C.ar 83 TYR83 0.0726 1222 OH -2.8457 0.0791 10.7030 O.3 83 TYR83 -0.3598 1223 HH -1.9544 0.1945 11.0139 H 83 TYR83 0.2173 1224 N -2.1630 -7.1610 6.2190 N.am 84 VAL84 -0.2454 1225 H -1.3330 -6.8630 6.7320 H 84 VAL84 0.1312 1226 CA -2.1640 -8.4860 5.6010 C.3 84 VAL84 0.0901 1227 HA -3.1874 -8.7395 5.3181 H 84 VAL84 0.0560 1228 C -1.6850 -9.4830 6.6280 C.2 84 VAL84 0.2189 1229 O -0.7110 -9.2170 7.3480 O.2 84 VAL84 -0.2778 1230 CB -1.2566 -8.4923 4.3461 C.3 84 VAL84 -0.0227 1231 HB -0.2226 -8.3445 4.6626 H 84 VAL84 0.0315 1232 CG1 -1.3316 -9.8334 3.5927 C.3 84 VAL84 -0.0608 1233 HG11 -0.7063 -9.8154 2.6985 H 84 VAL84 0.0233 1234 HG12 -2.3524 -10.0476 3.2730 H 84 VAL84 0.0233 1235 HG13 -0.9917 -10.6661 4.2081 H 84 VAL84 0.0233 1236 CG2 -1.5915 -7.3404 3.3832 C.3 84 VAL84 -0.0608 1237 HG21 -0.9705 -7.3880 2.4878 H 84 VAL84 0.0233 1238 HG22 -1.4179 -6.3632 3.8343 H 84 VAL84 0.0233 1239 HG23 -2.6325 -7.3831 3.0643 H 84 VAL84 0.0233 1240 N -2.3350 -10.6320 6.7140 N.am 85 HIS85 -0.2453 1241 H -3.2200 -10.7470 6.2210 H 85 HIS85 0.1312 1242 CA -1.8080 -11.7280 7.4980 C.3 85 HIS85 0.0932 1243 HA -0.7502 -11.5466 7.6934 H 85 HIS85 0.0561 1244 C -1.9110 -12.9980 6.7180 C.2 85 HIS85 0.2191 1245 O -2.9540 -13.2570 6.1310 O.2 85 HIS85 -0.2778 1246 CB -2.5746 -11.7841 8.8264 C.3 85 HIS85 0.0146 1247 HB1 -3.5965 -12.1359 8.6770 H 85 HIS85 0.0348 1248 HB2 -2.6447 -10.7851 9.2562 H 85 HIS85 0.0348 1249 CG -1.8578 -12.6785 9.8130 C.ar 85 HIS85 0.0551 1250 ND1 -0.9388 -12.2490 10.7152 N.ar 85 HIS85 -0.2469 1251 CD2 -2.0154 -14.0654 9.9603 C.ar 85 HIS85 0.0047 1252 HD2 -2.6713 -14.6997 9.3802 H 85 HIS85 0.0764 1253 CE1 -0.5825 -13.3491 11.4099 C.ar 85 HIS85 0.0737 1254 HE1 0.1136 -13.3690 12.2371 H 85 HIS85 0.0963 1255 NE2 -1.1988 -14.4547 10.9615 N.ar 85 HIS85 -0.2539 1256 HE2 -1.0910 -15.3685 11.3023 H 85 HIS85 0.1339 1257 N -0.8440 -13.7780 6.7190 N.am 86 HIS86 -0.2453 1258 H -0.0240 -13.4930 7.2550 H 86 HIS86 0.1312 1259 CA -0.8010 -15.0310 5.9800 C.3 86 HIS86 0.0932 1260 HA -1.7782 -15.5115 6.0626 H 86 HIS86 0.0561 1261 C 0.2210 -15.9110 6.6160 C.2 86 HIS86 0.2190 1262 O 1.1160 -15.4200 7.2910 O.2 86 HIS86 -0.2778 1263 CB -0.4630 -14.6900 4.5117 C.3 86 HIS86 0.0146 1264 HB1 0.5064 -14.1940 4.4413 H 86 HIS86 0.0348 1265 HB2 -1.1988 -13.9922 4.1097 H 86 HIS86 0.0348 1266 CG -0.4595 -15.9183 3.6304 C.ar 86 HIS86 0.0551 1267 ND1 0.6628 -16.4757 3.1304 N.ar 86 HIS86 -0.2469 1268 CD2 -1.5599 -16.6677 3.1840 C.ar 86 HIS86 0.0047 1269 HD2 -2.5980 -16.4738 3.4094 H 86 HIS86 0.0764 1270 CE1 0.2613 -17.5252 2.3955 C.ar 86 HIS86 0.0737 1271 HE1 0.9379 -18.1688 1.8508 H 86 HIS86 0.0963 1272 NE2 -1.0758 -17.6729 2.4183 N.ar 86 HIS86 -0.2539 1273 HE2 -1.5979 -18.3603 1.9542 H 86 HIS86 0.1339 1274 N 0.1440 -17.2170 6.3550 N.am 87 GLN87 -0.2456 1275 H -0.6370 -17.5680 5.8000 H 87 GLN87 0.1312 1276 CA 1.1520 -18.1590 6.8450 C.3 87 GLN87 0.0882 1277 HA 1.0602 -18.2040 7.9298 H 87 GLN87 0.0557 1278 C 2.5880 -17.7740 6.4930 C.2 87 GLN87 0.2187 1279 O 3.4980 -17.9980 7.3030 O.2 87 GLN87 -0.2778 1280 CB 0.8348 -19.5286 6.2061 C.3 87 GLN87 -0.0210 1281 HB1 0.7460 -19.3936 5.1271 H 87 GLN87 0.0289 1282 HB2 -0.1502 -19.8575 6.5399 H 87 GLN87 0.0289 1283 CG 1.8637 -20.6528 6.4555 C.3 87 GLN87 0.0225 1284 HG1 2.8604 -20.3770 6.1098 H 87 GLN87 0.0356 1285 HG2 1.5794 -21.5397 5.8903 H 87 GLN87 0.0356 1286 CD 1.9214 -21.0576 7.9306 C.2 87 GLN87 0.1981 1287 OE1 0.9449 -21.5325 8.4948 O.2 87 GLN87 -0.2798 1288 NE2 3.1110 -20.8454 8.5148 N.am 87 GLN87 -0.2724 1289 HE21 3.2565 -21.1009 9.4700 H 87 GLN87 0.1266 1290 HE22 3.8824 -20.4298 8.0300 H 87 GLN87 0.1266 1291 N 2.8210 -17.1510 5.3360 N.am 88 ALA88 -0.2459 1292 H 2.0320 -16.9890 4.7110 H 88 ALA88 0.1312 1293 CA 4.1370 -16.6880 4.9130 C.3 88 ALA88 0.0850 1294 HA 4.7949 -17.5589 4.9062 H 88 ALA88 0.0554 1295 C 4.7360 -15.6480 5.8690 C.2 88 ALA88 0.2184 1296 O 5.9320 -15.3470 5.8060 O.2 88 ALA88 -0.2778 1297 CB 4.0148 -16.0932 3.5049 C.3 88 ALA88 -0.0411 1298 HB1 4.9846 -15.7701 3.1242 H 88 ALA88 0.0249 1299 HB2 3.3460 -15.2314 3.4944 H 88 ALA88 0.0249 1300 HB3 3.6151 -16.8291 2.8073 H 88 ALA88 0.0249 1301 N 3.8800 -15.0420 6.7000 N.am 89 LEU89 -0.2457 1302 H 2.8840 -15.2460 6.6230 H 89 LEU89 0.1312 1303 CA 4.3370 -14.0940 7.7160 C.3 89 LEU89 0.0880 1304 HA 5.3309 -13.7401 7.4400 H 89 LEU89 0.0557 1305 C 4.4530 -14.6270 9.1400 C.2 89 LEU89 0.2187 1306 O 4.8900 -13.8900 10.0180 O.2 89 LEU89 -0.2778 1307 CB 3.3557 -12.9024 7.7111 C.3 89 LEU89 -0.0266 1308 HB1 3.6509 -12.1755 8.4694 H 89 LEU89 0.0287 1309 HB2 2.3683 -13.2611 8.0051 H 89 LEU89 0.0287 1310 CG 3.2372 -12.1741 6.3560 C.3 89 LEU89 -0.0449 1311 HG 2.9832 -12.8963 5.5786 H 89 LEU89 0.0296 1312 CD1 2.1030 -11.1412 6.3902 C.3 89 LEU89 -0.0626 1313 HD11 2.0309 -10.6022 5.4449 H 89 LEU89 0.0232 1314 HD12 2.2579 -10.4070 7.1804 H 89 LEU89 0.0232 1315 HD13 1.1437 -11.6266 6.5598 H 89 LEU89 0.0232 1316 CD2 4.5581 -11.5018 5.9616 C.3 89 LEU89 -0.0626 1317 HD21 4.4429 -10.9123 5.0516 H 89 LEU89 0.0232 1318 HD22 5.3411 -12.2366 5.7743 H 89 LEU89 0.0232 1319 HD23 4.9052 -10.8356 6.7506 H 89 LEU89 0.0232 1320 N 4.0370 -15.8670 9.3980 N.am 90 LEU90 -0.2456 1321 H 3.7440 -16.4680 8.6280 H 90 LEU90 0.1312 1322 CA 3.9950 -16.3740 10.7520 C.3 90 LEU90 0.0880 1323 HA 3.4985 -15.6128 11.3501 H 90 LEU90 0.0557 1324 C 5.3910 -16.4700 11.3310 C.2 90 LEU90 0.2187 1325 O 5.5660 -16.0980 12.4810 O.2 90 LEU90 -0.2778 1326 CB 3.2102 -17.6912 10.8433 C.3 90 LEU90 -0.0266 1327 HB1 3.4566 -18.2067 11.7733 H 90 LEU90 0.0287 1328 HB2 3.5323 -18.3560 10.0401 H 90 LEU90 0.0287 1329 CG 1.6811 -17.4883 10.7934 C.3 90 LEU90 -0.0449 1330 HG 1.4324 -16.9526 9.8763 H 90 LEU90 0.0296 1331 CD1 0.9594 -18.8383 10.7577 C.3 90 LEU90 -0.0626 1332 HD11 -0.1199 -18.7107 10.6756 H 90 LEU90 0.0232 1333 HD12 1.1631 -19.4203 11.6570 H 90 LEU90 0.0232 1334 HD13 1.2843 -19.4257 9.9057 H 90 LEU90 0.0232 1335 CD2 1.1620 -16.6717 11.9882 C.3 90 LEU90 -0.0626 1336 HD21 0.0733 -16.6868 12.0257 H 90 LEU90 0.0232 1337 HD22 1.4658 -15.6276 11.9361 H 90 LEU90 0.0232 1338 HD23 1.5260 -17.0832 12.9302 H 90 LEU90 0.0232 1339 N 6.3790 -16.9440 10.5770 N.am 91 ASP91 -0.2451 1340 H 6.2140 -17.1870 9.6000 H 91 ASP91 0.1312 1341 CA 7.7120 -17.1130 11.1730 C.3 91 ASP91 0.0974 1342 HA 7.5925 -17.7409 12.0585 H 91 ASP91 0.0563 1343 C 8.3240 -15.7710 11.6130 C.2 91 ASP91 0.2192 1344 O 8.8580 -15.6560 12.7110 O.2 91 ASP91 -0.2778 1345 CB 8.6272 -17.8166 10.1660 C.3 91 ASP91 0.0576 1346 HB1 9.6288 -17.9602 10.5704 H 91 ASP91 0.0394 1347 HB2 8.7210 -17.2444 9.2433 H 91 ASP91 0.0394 1348 CG 8.0329 -19.1867 9.8423 C.2 91 ASP91 0.1780 1349 OD1 8.2959 -20.1247 10.5894 O.co2 91 ASP91 -0.6478 1350 OD2 7.3109 -19.2945 8.8542 O.co2 91 ASP91 -0.6478 1351 N 8.2200 -14.7460 10.7630 N.am 92 VAL92 -0.2454 1352 H 7.7100 -14.8680 9.8880 H 92 VAL92 0.1312 1353 CA 8.8270 -13.4520 11.0680 C.3 92 VAL92 0.0901 1354 HA 9.8407 -13.6568 11.4147 H 92 VAL92 0.0560 1355 C 8.0610 -12.8200 12.2560 C.2 92 VAL92 0.2189 1356 O 8.6610 -12.2070 13.1470 O.2 92 VAL92 -0.2778 1357 CB 8.9004 -12.5772 9.7998 C.3 92 VAL92 -0.0227 1358 HB 9.3925 -13.1798 9.0350 H 92 VAL92 0.0315 1359 CG1 7.5271 -12.1879 9.2336 C.3 92 VAL92 -0.0608 1360 HG11 7.6328 -11.6302 8.3037 H 92 VAL92 0.0233 1361 HG12 6.9589 -11.5690 9.9273 H 92 VAL92 0.0233 1362 HG13 6.9421 -13.0754 9.0038 H 92 VAL92 0.0233 1363 CG2 9.7878 -11.3463 10.0160 C.3 92 VAL92 -0.0608 1364 HG21 9.9293 -10.8004 9.0851 H 92 VAL92 0.0233 1365 HG22 10.7777 -11.6421 10.3634 H 92 VAL92 0.0233 1366 HG23 9.3570 -10.6628 10.7474 H 92 VAL92 0.0233 1367 N 6.7370 -12.9430 12.2690 N.am 93 LYS93 -0.2456 1368 H 6.2670 -13.4050 11.4900 H 93 LYS93 0.1312 1369 CA 5.9410 -12.4230 13.3900 C.3 93 LYS93 0.0878 1370 HA 6.2148 -11.3729 13.5064 H 93 LYS93 0.0557 1371 C 6.3360 -13.1160 14.6800 C.2 93 LYS93 0.2187 1372 O 6.4780 -12.4630 15.7280 O.2 93 LYS93 -0.2778 1373 CB 4.4431 -12.5342 13.0909 C.3 93 LYS93 -0.0289 1374 HB1 3.8842 -12.3695 14.0136 H 93 LYS93 0.0285 1375 HB2 4.1966 -13.5432 12.7553 H 93 LYS93 0.0285 1376 CG 3.9951 -11.4922 12.0545 C.3 93 LYS93 -0.0496 1377 HG1 4.4138 -11.7223 11.0749 H 93 LYS93 0.0266 1378 HG2 4.3988 -10.5203 12.3368 H 93 LYS93 0.0266 1379 CD 2.4711 -11.3837 11.9778 C.3 93 LYS93 -0.0278 1380 HD1 2.0958 -11.1844 12.9830 H 93 LYS93 0.0282 1381 HD2 2.0577 -12.3451 11.6757 H 93 LYS93 0.0282 1382 CE 1.9885 -10.2814 11.0258 C.3 93 LYS93 0.1103 1383 HE1 1.9615 -10.6428 9.9953 H 93 LYS93 0.0559 1384 HE2 2.6641 -9.4237 11.0504 H 93 LYS93 0.0559 1385 NZ 0.6584 -9.8001 11.3983 N.4 93 LYS93 -0.0749 1386 HZ1 0.3314 -9.0931 10.7100 H 93 LYS93 0.2742 1387 HZ2 0.7112 -9.3599 12.3442 H 93 LYS93 0.2742 1388 HZ3 -0.0138 -10.5960 11.4223 H 93 LYS93 0.2742 1389 N 6.4740 -14.4450 14.6360 N.am 94 ASN94 -0.2452 1390 H 6.3270 -14.9450 13.7590 H 94 ASN94 0.1312 1391 CA 6.8330 -15.1770 15.8390 C.3 94 ASN94 0.0957 1392 HA 6.1180 -14.9050 16.6178 H 94 ASN94 0.0562 1393 C 8.2320 -14.8000 16.3370 C.2 94 ASN94 0.2191 1394 O 8.4180 -14.7060 17.5400 O.2 94 ASN94 -0.2778 1395 CB 6.7657 -16.6856 15.5462 C.3 94 ASN94 0.0446 1396 HB1 7.1370 -17.2646 16.3917 H 94 ASN94 0.0375 1397 HB2 7.3811 -16.9373 14.6807 H 94 ASN94 0.0375 1398 CG 5.3192 -17.1293 15.2802 C.2 94 ASN94 0.2000 1399 OD1 4.3623 -16.5219 15.7442 O.2 94 ASN94 -0.2797 1400 ND2 5.2203 -18.2224 14.5084 N.am 94 ASN94 -0.2723 1401 HD21 4.3212 -18.6000 14.2929 H 94 ASN94 0.1266 1402 HD22 6.0279 -18.6729 14.1266 H 94 ASN94 0.1266 1403 N 9.1920 -14.5630 15.4520 N.am 95 ILE95 -0.2454 1404 H 8.9900 -14.6850 14.4600 H 95 ILE95 0.1312 1405 CA 10.5360 -14.1310 15.8570 C.3 95 ILE95 0.0903 1406 HA 10.9041 -14.8455 16.5930 H 95 ILE95 0.0560 1407 C 10.4400 -12.7740 16.5480 C.2 95 ILE95 0.2189 1408 O 11.0600 -12.5250 17.6000 O.2 95 ILE95 -0.2778 1409 CB 11.4640 -14.0865 14.6173 C.3 95 ILE95 -0.0201 1410 HB 10.9175 -13.5653 13.8290 H 95 ILE95 0.0318 1411 CG1 11.7753 -15.4989 14.0812 C.3 95 ILE95 -0.0514 1412 HG11 12.2319 -15.4133 13.0945 H 95 ILE95 0.0266 1413 HG12 10.8525 -16.0559 13.9323 H 95 ILE95 0.0266 1414 CG2 12.7665 -13.2923 14.8432 C.3 95 ILE95 -0.0605 1415 HG21 13.4137 -13.3446 13.9671 H 95 ILE95 0.0233 1416 HG22 13.3252 -13.6761 15.6967 H 95 ILE95 0.0233 1417 HG23 12.5693 -12.2369 15.0307 H 95 ILE95 0.0233 1418 CD1 12.6990 -16.3315 14.9807 C.3 95 ILE95 -0.0650 1419 HD11 12.8589 -17.3200 14.5495 H 95 ILE95 0.0230 1420 HD12 12.2753 -16.4752 15.9739 H 95 ILE95 0.0230 1421 HD13 13.6774 -15.8653 15.0934 H 95 ILE95 0.0230 1422 N 9.7010 -11.8530 15.9530 N.am 96 ALA96 -0.2459 1423 H 9.2930 -12.0430 15.0380 H 96 ALA96 0.1312 1424 CA 9.4660 -10.5620 16.6020 C.3 96 ALA96 0.0850 1425 HA 10.4450 -10.1048 16.7607 H 96 ALA96 0.0554 1426 C 8.7820 -10.7000 17.9620 C.2 96 ALA96 0.2184 1427 O 9.1670 -10.0690 18.9480 O.2 96 ALA96 -0.2778 1428 CB 8.6341 -9.6862 15.6599 C.3 96 ALA96 -0.0411 1429 HB1 8.4775 -8.6926 16.0805 H 96 ALA96 0.0249 1430 HB2 7.6615 -10.1355 15.4589 H 96 ALA96 0.0249 1431 HB3 9.1357 -9.5593 14.7014 H 96 ALA96 0.0249 1432 N 7.7620 -11.5600 18.0280 N.am 97 HIS97 -0.2453 1433 H 7.4740 -12.0580 17.1850 H 97 HIS97 0.1312 1434 CA 7.0440 -11.8060 19.2880 C.3 97 HIS97 0.0932 1435 HA 6.6236 -10.8554 19.6130 H 97 HIS97 0.0561 1436 C 8.0090 -12.3030 20.3570 C.2 97 HIS97 0.2190 1437 O 7.9880 -11.8050 21.4970 O.2 97 HIS97 -0.2778 1438 CB 5.9441 -12.8454 19.0049 C.3 97 HIS97 0.0146 1439 HB1 6.3730 -13.8209 18.7767 H 97 HIS97 0.0348 1440 HB2 5.3627 -12.5527 18.1318 H 97 HIS97 0.0348 1441 CG 5.0054 -12.9842 20.1809 C.ar 97 HIS97 0.0551 1442 ND1 5.3392 -13.5771 21.3459 N.ar 97 HIS97 -0.2469 1443 CD2 3.6684 -12.5632 20.2688 C.ar 97 HIS97 0.0047 1444 HD2 3.1029 -12.0671 19.4944 H 97 HIS97 0.0764 1445 CE1 4.2471 -13.5082 22.1247 C.ar 97 HIS97 0.0737 1446 HE1 4.2042 -13.8978 23.1324 H 97 HIS97 0.0963 1447 NE2 3.2240 -12.8934 21.5030 N.ar 97 HIS97 -0.2539 1448 HE2 2.3303 -12.7333 21.8718 H 97 HIS97 0.1339 1449 N 8.8480 -13.2740 20.0090 N.am 98 GLN98 -0.2456 1450 H 8.8260 -13.6370 19.0560 H 98 GLN98 0.1312 1451 CA 9.8140 -13.8390 20.9790 C.3 98 GLN98 0.0882 1452 HA 9.2451 -14.1912 21.8414 H 98 GLN98 0.0557 1453 C 10.8010 -12.7710 21.4660 C.2 98 GLN98 0.2187 1454 O 11.1420 -12.7190 22.6360 O.2 98 GLN98 -0.2778 1455 CB 10.5619 -15.0000 20.3070 C.3 98 GLN98 -0.0210 1456 HB1 11.4156 -15.2981 20.9186 H 98 GLN98 0.0289 1457 HB2 10.9698 -14.6563 19.3544 H 98 GLN98 0.0289 1458 CG 9.6629 -16.2270 20.0884 C.3 98 GLN98 0.0225 1459 HG1 8.7373 -15.9638 19.5792 H 98 GLN98 0.0356 1460 HG2 9.3795 -16.6617 21.0467 H 98 GLN98 0.0356 1461 CD 10.3969 -17.2987 19.2731 C.2 98 GLN98 0.1981 1462 OE1 11.1225 -18.1251 19.8066 O.2 98 GLN98 -0.2798 1463 NE2 10.1640 -17.2360 17.9538 N.am 98 GLN98 -0.2724 1464 HE21 10.5941 -17.9042 17.3475 H 98 GLN98 0.1266 1465 HE22 9.5681 -16.5328 17.5683 H 98 GLN98 0.1266 1466 N 11.2130 -11.8720 20.5770 N.am 99 ASN99 -0.2452 1467 H 10.8910 -11.9270 19.6110 H 99 ASN99 0.1312 1468 CA 12.1320 -10.7980 20.9830 C.3 99 ASN99 0.0957 1469 HA 12.9217 -11.2514 21.5858 H 99 ASN99 0.0562 1470 C 11.4370 -9.7610 21.8450 C.2 99 ASN99 0.2191 1471 O 12.0400 -9.2150 22.8230 O.2 99 ASN99 -0.2778 1472 CB 12.7506 -10.1889 19.7126 C.3 99 ASN99 0.0446 1473 HB1 11.9688 -9.8209 19.0493 H 99 ASN99 0.0375 1474 HB2 13.3040 -10.9448 19.1556 H 99 ASN99 0.0375 1475 CG 13.6878 -9.0204 20.0391 C.2 99 ASN99 0.2000 1476 OD1 13.2385 -7.9057 20.2448 O.2 99 ASN99 -0.2797 1477 ND2 14.9918 -9.3246 20.0782 N.am 99 ASN99 -0.2723 1478 HD21 15.6359 -8.5848 20.2809 H 99 ASN99 0.1266 1479 HD22 15.3422 -10.2424 19.9039 H 99 ASN99 0.1266 1480 N 10.1690 -9.5040 21.5550 N.am 100 LYS100 -0.2456 1481 H 9.7090 -10.0490 20.8250 H 100 LYS100 0.1312 1482 CA 9.4040 -8.4590 22.2510 C.3 100 LYS100 0.0878 1483 HA 10.0475 -7.5856 22.3672 H 100 LYS100 0.0557 1484 C 8.9120 -8.8970 23.6120 C.2 100 LYS100 0.2187 1485 O 8.9500 -8.1180 24.5640 O.2 100 LYS100 -0.2778 1486 CB 8.2334 -8.1910 21.2816 C.3 100 LYS100 -0.0289 1487 HB1 7.6689 -9.1154 21.1475 H 100 LYS100 0.0285 1488 HB2 8.6586 -7.9790 20.3019 H 100 LYS100 0.0285 1489 CG 7.2526 -7.0591 21.6210 C.3 100 LYS100 -0.0496 1490 HG1 7.7949 -6.1320 21.8076 H 100 LYS100 0.0266 1491 HG2 6.7213 -7.3075 22.5409 H 100 LYS100 0.0266 1492 CD 6.2569 -6.8762 20.4572 C.3 100 LYS100 -0.0278 1493 HD1 5.8648 -7.8591 20.1941 H 100 LYS100 0.0282 1494 HD2 6.7817 -6.5332 19.5640 H 100 LYS100 0.0282 1495 CE 5.0632 -5.9581 20.7587 C.3 100 LYS100 0.1103 1496 HE1 4.7428 -6.0574 21.7967 H 100 LYS100 0.0559 1497 HE2 4.2157 -6.2516 20.1344 H 100 LYS100 0.0559 1498 NZ 5.3188 -4.5460 20.4892 N.4 100 LYS100 -0.0749 1499 HZ1 4.4406 -3.9984 20.6181 H 100 LYS100 0.2742 1500 HZ2 5.6356 -4.4260 19.5042 H 100 LYS100 0.2742 1501 HZ3 6.0626 -4.1867 21.1200 H 100 LYS100 0.2742 1502 N 8.3920 -10.1240 23.7020 N.am 101 PHE101 -0.2453 1503 H 8.5300 -10.7820 22.9350 H 101 PHE101 0.1312 1504 CA 7.6140 -10.5520 24.9000 C.3 101 PHE101 0.0915 1505 HA 7.4770 -9.7019 25.5700 H 101 PHE101 0.0560 1506 C 8.2470 -11.6560 25.7060 C.2 101 PHE101 0.2157 1507 O 7.8560 -11.8760 26.8620 O.2 101 PHE101 -0.2780 1508 CB 6.2454 -11.0783 24.4298 C.3 101 PHE101 -0.0036 1509 HB1 5.6976 -11.5158 25.2667 H 101 PHE101 0.0333 1510 HB2 6.3858 -11.8869 23.7101 H 101 PHE101 0.0333 1511 CG 5.3544 -10.0238 23.8275 C.ar 101 PHE101 -0.0454 1512 CD1 4.6945 -9.1125 24.6454 C.ar 101 PHE101 -0.0585 1513 HD1 4.8860 -9.1105 25.7092 H 101 PHE101 0.0620 1514 CD2 5.0790 -10.0268 22.4645 C.ar 101 PHE101 -0.0585 1515 HD2 5.5786 -10.7361 21.8225 H 101 PHE101 0.0620 1516 CE1 3.7513 -8.2414 24.1156 C.ar 101 PHE101 -0.0615 1517 HE1 3.2252 -7.5595 24.7678 H 101 PHE101 0.0618 1518 CE2 4.1198 -9.1747 21.9341 C.ar 101 PHE101 -0.0615 1519 HE2 3.8816 -9.2236 20.8818 H 101 PHE101 0.0618 1520 CZ 3.4480 -8.2865 22.7619 C.ar 101 PHE101 -0.0617 1521 HZ 2.6845 -7.6388 22.3568 H 101 PHE101 0.0618 1522 N 9.2380 -12.3300 25.1530 N.am 102 GLY102 -0.2710 1523 H1 9.6899 -13.0493 25.6781 H 102 GLY102 0.1266 1524 H2 9.5567 -12.1383 24.2245 H 102 GLY102 0.1266 1525 ZN 13.2000 -2.5050 2.4560 Zn 103 ZN103 2.0000 1526 ZN 12.4280 8.1720 11.5750 Zn 104 ZN104 2.0000 1527 ZN 0.0240 -5.9310 -1.1940 Zn 105 ZN105 2.0000 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 6 2 6 5 7 am 7 7 9 1 8 7 8 1 9 9 13 1 10 9 11 1 11 9 10 1 12 11 12 2 13 11 18 am 14 13 16 1 15 13 14 1 16 13 15 1 17 16 17 1 18 18 29 1 19 18 19 1 20 19 23 1 21 19 21 1 22 19 20 1 23 21 22 2 24 21 32 am 25 23 26 1 26 23 24 1 27 23 25 1 28 26 29 1 29 26 27 1 30 26 28 1 31 29 30 1 32 29 31 1 33 32 34 1 34 32 33 1 35 34 38 1 36 34 36 1 37 34 35 1 38 36 37 2 39 36 51 am 40 38 41 1 41 38 39 1 42 38 40 1 43 41 43 1 44 41 47 1 45 41 42 1 46 43 44 1 47 43 45 1 48 43 46 1 49 47 48 1 50 47 49 1 51 47 50 1 52 51 62 1 53 51 52 1 54 52 56 1 55 52 54 1 56 52 53 1 57 54 55 2 58 54 65 am 59 56 59 1 60 56 57 1 61 56 58 1 62 59 62 1 63 59 60 1 64 59 61 1 65 62 63 1 66 62 64 1 67 65 67 1 68 65 66 1 69 67 71 1 70 67 69 1 71 67 68 1 72 69 70 2 73 69 89 am 74 71 74 1 75 71 72 1 76 71 73 1 77 74 75 ar 78 74 77 ar 79 75 78 ar 80 75 76 1 81 77 80 ar 82 77 81 ar 83 78 80 ar 84 78 79 1 85 80 83 ar 86 81 85 ar 87 81 82 1 88 83 87 ar 89 83 84 1 90 85 87 ar 91 85 86 1 92 87 88 1 93 89 91 1 94 89 90 1 95 91 95 1 96 91 93 1 97 91 92 1 98 93 94 2 99 93 99 am 100 95 98 1 101 95 96 1 102 95 97 1 103 99 110 1 104 99 100 1 105 100 104 1 106 100 102 1 107 100 101 1 108 102 103 2 109 102 113 am 110 104 107 1 111 104 105 1 112 104 106 1 113 107 110 1 114 107 108 1 115 107 109 1 116 110 111 1 117 110 112 1 118 113 115 1 119 113 114 1 120 115 119 1 121 115 117 1 122 115 116 1 123 117 118 2 124 117 130 am 125 119 122 1 126 119 120 1 127 119 121 1 128 122 123 ar 129 122 124 ar 130 123 126 ar 131 124 128 ar 132 124 125 1 133 126 128 ar 134 126 127 1 135 128 129 1 136 130 132 1 137 130 131 1 138 132 136 1 139 132 134 1 140 132 133 1 141 134 135 2 142 134 149 am 143 136 139 1 144 136 137 1 145 136 138 1 146 139 141 1 147 139 145 1 148 139 140 1 149 141 142 1 150 141 143 1 151 141 144 1 152 145 146 1 153 145 147 1 154 145 148 1 155 149 151 1 156 149 150 1 157 151 155 1 158 151 153 1 159 151 152 1 160 153 154 2 161 153 165 am 162 155 157 1 163 155 161 1 164 155 156 1 165 157 158 1 166 157 159 1 167 157 160 1 168 161 162 1 169 161 163 1 170 161 164 1 171 165 167 1 172 165 166 1 173 167 171 1 174 167 169 1 175 167 168 1 176 169 170 2 177 169 175 am 178 171 172 1 179 171 173 1 180 171 174 1 181 175 177 1 182 175 176 1 183 177 181 1 184 177 179 1 185 177 178 1 186 179 180 2 187 179 191 am 188 181 183 1 189 181 187 1 190 181 182 1 191 183 184 1 192 183 185 1 193 183 186 1 194 187 188 1 195 187 189 1 196 187 190 1 197 191 193 1 198 191 192 1 199 193 197 1 200 193 195 1 201 193 194 1 202 195 196 2 203 195 202 am 204 197 200 1 205 197 198 1 206 197 199 1 207 200 201 1 208 202 213 1 209 202 203 1 210 203 207 1 211 203 205 1 212 203 204 1 213 205 206 2 214 205 216 am 215 207 210 1 216 207 208 1 217 207 209 1 218 210 213 1 219 210 211 1 220 210 212 1 221 213 214 1 222 213 215 1 223 216 218 1 224 216 217 1 225 218 222 1 226 218 220 1 227 218 219 1 228 220 221 2 229 220 235 am 230 222 227 1 231 222 224 1 232 222 223 1 233 224 231 1 234 224 225 1 235 224 226 1 236 227 228 1 237 227 229 1 238 227 230 1 239 231 232 1 240 231 233 1 241 231 234 1 242 235 246 1 243 235 236 1 244 236 240 1 245 236 238 1 246 236 237 1 247 238 239 2 248 238 249 am 249 240 243 1 250 240 241 1 251 240 242 1 252 243 246 1 253 243 244 1 254 243 245 1 255 246 247 1 256 246 248 1 257 249 251 1 258 249 250 1 259 251 255 1 260 251 253 1 261 251 252 1 262 253 254 2 263 253 259 am 264 255 256 1 265 255 257 1 266 255 258 1 267 259 261 1 268 259 260 1 269 261 265 1 270 261 263 1 271 261 262 1 272 263 264 2 273 263 269 am 274 265 266 1 275 265 267 1 276 265 268 1 277 269 271 1 278 269 270 1 279 271 274 1 280 271 272 1 281 271 273 1 282 274 275 2 283 274 276 am 284 276 278 1 285 276 277 1 286 278 282 1 287 278 280 1 288 278 279 1 289 280 281 2 290 280 295 am 291 282 285 1 292 282 283 1 293 282 284 1 294 285 287 1 295 285 291 1 296 285 286 1 297 287 288 1 298 287 289 1 299 287 290 1 300 291 292 1 301 291 293 1 302 291 294 1 303 295 297 1 304 295 296 1 305 297 301 1 306 297 299 1 307 297 298 1 308 299 300 2 309 299 307 am 310 301 304 1 311 301 302 1 312 301 303 1 313 304 305 ar 314 304 306 ar 315 307 309 1 316 307 308 1 317 309 313 1 318 309 311 1 319 309 310 1 320 311 312 2 321 311 323 am 322 313 315 1 323 313 319 1 324 313 314 1 325 315 316 1 326 315 317 1 327 315 318 1 328 319 320 1 329 319 321 1 330 319 322 1 331 323 325 1 332 323 324 1 333 325 329 1 334 325 327 1 335 325 326 1 336 327 328 2 337 327 337 am 338 329 333 1 339 329 331 1 340 329 330 1 341 331 332 1 342 333 334 1 343 333 335 1 344 333 336 1 345 337 339 1 346 337 338 1 347 339 343 1 348 339 341 1 349 339 340 1 350 341 342 2 351 341 354 am 352 343 346 1 353 343 344 1 354 343 345 1 355 346 349 1 356 346 347 1 357 346 348 1 358 349 350 2 359 349 351 am 360 351 352 1 361 351 353 1 362 354 365 1 363 354 355 1 364 355 359 1 365 355 357 1 366 355 356 1 367 357 358 2 368 357 368 am 369 359 362 1 370 359 360 1 371 359 361 1 372 362 365 1 373 362 363 1 374 362 364 1 375 365 366 1 376 365 367 1 377 368 370 1 378 368 369 1 379 370 374 1 380 370 372 1 381 370 371 1 382 372 373 2 383 372 378 am 384 374 377 1 385 374 375 1 386 374 376 1 387 378 380 1 388 378 379 1 389 380 383 1 390 380 381 1 391 380 382 1 392 383 384 2 393 383 385 am 394 385 387 1 395 385 386 1 396 387 391 1 397 387 389 1 398 387 388 1 399 389 390 2 400 389 397 am 401 391 394 1 402 391 392 1 403 391 393 1 404 394 395 ar 405 394 396 ar 406 397 399 1 407 397 398 1 408 399 403 1 409 399 401 1 410 399 400 1 411 401 402 2 412 401 407 am 413 403 406 1 414 403 404 1 415 403 405 1 416 407 409 1 417 407 408 1 418 409 412 1 419 409 410 1 420 409 411 1 421 412 413 2 422 412 414 am 423 414 416 1 424 414 415 1 425 416 420 1 426 416 418 1 427 416 417 1 428 418 419 2 429 418 428 am 430 420 424 1 431 420 422 1 432 420 421 1 433 422 423 1 434 424 425 1 435 424 426 1 436 424 427 1 437 428 430 1 438 428 429 1 439 430 434 1 440 430 432 1 441 430 431 1 442 432 433 2 443 432 447 am 444 434 439 1 445 434 436 1 446 434 435 1 447 436 443 1 448 436 437 1 449 436 438 1 450 439 440 1 451 439 441 1 452 439 442 1 453 443 444 1 454 443 445 1 455 443 446 1 456 447 449 1 457 447 448 1 458 449 453 1 459 449 451 1 460 449 450 1 461 451 452 2 462 451 464 am 463 453 456 1 464 453 454 1 465 453 455 1 466 456 459 1 467 456 457 1 468 456 458 1 469 459 460 2 470 459 461 am 471 461 462 1 472 461 463 1 473 464 466 1 474 464 465 1 475 466 470 1 476 466 468 1 477 466 467 1 478 468 469 2 479 468 479 am 480 470 473 1 481 470 471 1 482 470 472 1 483 473 476 1 484 473 474 1 485 473 475 1 486 476 477 ar 487 476 478 ar 488 479 481 1 489 479 480 1 490 481 485 1 491 481 483 1 492 481 482 1 493 483 484 2 494 483 493 am 495 485 488 1 496 485 486 1 497 485 487 1 498 488 489 2 499 488 490 am 500 490 491 1 501 490 492 1 502 493 495 1 503 493 494 1 504 495 499 1 505 495 497 1 506 495 496 1 507 497 498 2 508 497 517 am 509 499 502 1 510 499 500 1 511 499 501 1 512 502 503 ar 513 502 505 ar 514 503 506 ar 515 503 504 1 516 505 508 ar 517 505 509 ar 518 506 508 ar 519 506 507 1 520 508 511 ar 521 509 513 ar 522 509 510 1 523 511 515 ar 524 511 512 1 525 513 515 ar 526 513 514 1 527 515 516 1 528 517 519 1 529 517 518 1 530 519 523 1 531 519 521 1 532 519 520 1 533 521 522 2 534 521 533 am 535 523 525 1 536 523 529 1 537 523 524 1 538 525 526 1 539 525 527 1 540 525 528 1 541 529 530 1 542 529 531 1 543 529 532 1 544 533 535 1 545 533 534 1 546 535 539 1 547 535 537 1 548 535 536 1 549 537 538 2 550 537 543 am 551 539 542 1 552 539 540 1 553 539 541 1 554 543 545 1 555 543 544 1 556 545 549 1 557 545 547 1 558 545 546 1 559 547 548 2 560 547 562 am 561 549 552 1 562 549 550 1 563 549 551 1 564 552 554 1 565 552 558 1 566 552 553 1 567 554 555 1 568 554 556 1 569 554 557 1 570 558 559 1 571 558 560 1 572 558 561 1 573 562 564 1 574 562 563 1 575 564 568 1 576 564 566 1 577 564 565 1 578 566 567 2 579 566 573 am 580 568 571 1 581 568 569 1 582 568 570 1 583 571 572 1 584 573 575 1 585 573 574 1 586 575 579 1 587 575 577 1 588 575 576 1 589 577 578 2 590 577 583 am 591 579 582 1 592 579 580 1 593 579 581 1 594 583 585 1 595 583 584 1 596 585 589 1 597 585 587 1 598 585 586 1 599 587 588 2 600 587 604 am 601 589 592 1 602 589 590 1 603 589 591 1 604 592 593 ar 605 592 595 ar 606 593 597 ar 607 593 594 1 608 595 599 ar 609 595 596 1 610 597 601 ar 611 597 598 1 612 599 601 ar 613 599 600 1 614 601 602 1 615 602 603 1 616 604 606 1 617 604 605 1 618 606 610 1 619 606 608 1 620 606 607 1 621 608 609 2 622 608 621 am 623 610 613 1 624 610 611 1 625 610 612 1 626 613 616 1 627 613 614 1 628 613 615 1 629 616 617 2 630 616 618 am 631 618 619 1 632 618 620 1 633 621 623 1 634 621 622 1 635 623 627 1 636 623 625 1 637 623 624 1 638 625 626 2 639 625 637 am 640 627 629 1 641 627 633 1 642 627 628 1 643 629 630 1 644 629 631 1 645 629 632 1 646 633 634 1 647 633 635 1 648 633 636 1 649 637 639 1 650 637 638 1 651 639 643 1 652 639 641 1 653 639 640 1 654 641 642 2 655 641 658 am 656 643 646 1 657 643 644 1 658 643 645 1 659 646 647 ar 660 646 649 ar 661 647 651 ar 662 647 648 1 663 649 653 ar 664 649 650 1 665 651 655 ar 666 651 652 1 667 653 655 ar 668 653 654 1 669 655 656 1 670 656 657 1 671 658 660 1 672 658 659 1 673 660 664 1 674 660 662 1 675 660 661 1 676 662 663 2 677 662 668 am 678 664 667 1 679 664 665 1 680 664 666 1 681 668 670 1 682 668 669 1 683 670 673 1 684 670 671 1 685 670 672 1 686 673 675 am 687 673 674 2 688 675 677 1 689 675 676 1 690 677 679 1 691 677 681 1 692 677 678 1 693 679 680 2 694 679 699 am 695 681 684 1 696 681 682 1 697 681 683 1 698 684 687 1 699 684 685 1 700 684 686 1 701 687 690 1 702 687 688 1 703 687 689 1 704 690 692 ar 705 690 691 1 706 692 693 ar 707 692 696 ar 708 693 694 1 709 693 695 1 710 696 697 1 711 696 698 1 712 699 701 1 713 699 700 1 714 701 705 1 715 701 703 1 716 701 702 1 717 703 704 2 718 703 720 am 719 705 708 1 720 705 706 1 721 705 707 1 722 708 709 ar 723 708 711 ar 724 709 713 ar 725 709 710 1 726 711 715 ar 727 711 712 1 728 713 717 ar 729 713 714 1 730 715 717 ar 731 715 716 1 732 717 718 1 733 718 719 1 734 720 722 1 735 720 721 1 736 722 726 1 737 722 724 1 738 722 723 1 739 724 725 2 740 724 739 am 741 726 731 1 742 726 728 1 743 726 727 1 744 728 735 1 745 728 729 1 746 728 730 1 747 731 732 1 748 731 733 1 749 731 734 1 750 735 736 1 751 735 737 1 752 735 738 1 753 739 741 1 754 739 740 1 755 741 745 1 756 741 743 1 757 741 742 1 758 743 744 2 759 743 753 am 760 745 748 1 761 745 746 1 762 745 747 1 763 748 749 2 764 748 750 am 765 750 751 1 766 750 752 1 767 753 755 1 768 753 754 1 769 755 758 1 770 755 756 1 771 755 757 1 772 758 759 2 773 758 760 am 774 760 762 1 775 760 761 1 776 762 766 1 777 762 764 1 778 762 763 1 779 764 765 2 780 764 777 am 781 766 769 1 782 766 767 1 783 766 768 1 784 769 770 ar 785 769 771 ar 786 770 773 ar 787 771 775 ar 788 771 772 1 789 773 775 ar 790 773 774 1 791 775 776 1 792 777 779 1 793 777 778 1 794 779 783 1 795 779 781 1 796 779 780 1 797 781 782 2 798 781 794 am 799 783 786 1 800 783 784 1 801 783 785 1 802 786 789 1 803 786 787 1 804 786 788 1 805 789 790 1 806 790 791 1 807 790 792 1 808 790 793 1 809 794 796 1 810 794 795 1 811 796 800 1 812 796 798 1 813 796 797 1 814 798 799 2 815 798 813 am 816 800 803 1 817 800 801 1 818 800 802 1 819 803 805 1 820 803 809 1 821 803 804 1 822 805 806 1 823 805 807 1 824 805 808 1 825 809 810 1 826 809 811 1 827 809 812 1 828 813 815 1 829 813 814 1 830 815 819 1 831 815 817 1 832 815 816 1 833 817 818 2 834 817 830 am 835 819 822 1 836 819 820 1 837 819 821 1 838 822 825 1 839 822 823 1 840 822 824 1 841 825 826 2 842 825 827 am 843 827 828 1 844 827 829 1 845 830 832 1 846 830 831 1 847 832 836 1 848 832 834 1 849 832 833 1 850 834 835 2 851 834 846 am 852 836 839 1 853 836 837 1 854 836 838 1 855 839 840 1 856 839 841 2 857 840 843 1 858 841 845 1 859 841 842 1 860 843 845 2 861 843 844 1 862 846 848 1 863 846 847 1 864 848 852 1 865 848 850 1 866 848 849 1 867 850 851 2 868 850 863 am 869 852 855 1 870 852 853 1 871 852 854 1 872 855 856 ar 873 855 857 ar 874 856 859 ar 875 857 861 ar 876 857 858 1 877 859 861 ar 878 859 860 1 879 861 862 1 880 863 865 1 881 863 864 1 882 865 868 1 883 865 866 1 884 865 867 1 885 868 869 2 886 868 870 am 887 870 872 1 888 870 871 1 889 872 876 1 890 872 874 1 891 872 873 1 892 874 875 2 893 874 884 am 894 876 879 1 895 876 877 1 896 876 878 1 897 879 880 2 898 879 881 am 899 881 882 1 900 881 883 1 901 884 886 1 902 884 885 1 903 886 890 1 904 886 888 1 905 886 887 1 906 888 889 2 907 888 895 am 908 890 893 1 909 890 891 1 910 890 892 1 911 893 894 1 912 895 897 1 913 895 896 1 914 897 900 1 915 897 898 1 916 897 899 1 917 900 901 2 918 900 902 am 919 902 904 1 920 902 903 1 921 904 908 1 922 904 906 1 923 904 905 1 924 906 907 2 925 906 919 am 926 908 911 1 927 908 909 1 928 908 910 1 929 911 912 ar 930 911 913 ar 931 912 915 ar 932 913 917 ar 933 913 914 1 934 915 917 ar 935 915 916 1 936 917 918 1 937 919 930 1 938 919 920 1 939 920 924 1 940 920 922 1 941 920 921 1 942 922 923 2 943 922 933 am 944 924 927 1 945 924 925 1 946 924 926 1 947 927 930 1 948 927 928 1 949 927 929 1 950 930 931 1 951 930 932 1 952 933 935 1 953 933 934 1 954 935 939 1 955 935 937 1 956 935 936 1 957 937 938 2 958 937 952 am 959 939 942 1 960 939 940 1 961 939 941 1 962 942 944 1 963 942 948 1 964 942 943 1 965 944 945 1 966 944 946 1 967 944 947 1 968 948 949 1 969 948 950 1 970 948 951 1 971 952 954 1 972 952 953 1 973 954 958 1 974 954 956 1 975 954 955 1 976 956 957 2 977 956 968 am 978 958 960 1 979 958 964 1 980 958 959 1 981 960 961 1 982 960 962 1 983 960 963 1 984 964 965 1 985 964 966 1 986 964 967 1 987 968 970 1 988 968 969 1 989 970 974 1 990 970 972 1 991 970 971 1 992 972 973 2 993 972 987 am 994 974 977 1 995 974 975 1 996 974 976 1 997 977 979 1 998 977 983 1 999 977 978 1 1000 979 980 1 1001 979 981 1 1002 979 982 1 1003 983 984 1 1004 983 985 1 1005 983 986 1 1006 987 989 1 1007 987 988 1 1008 989 993 1 1009 989 991 1 1010 989 990 1 1011 991 992 2 1012 991 998 am 1013 993 996 1 1014 993 994 1 1015 993 995 1 1016 996 997 1 1017 998 1000 1 1018 998 999 1 1019 1000 1004 1 1020 1000 1002 1 1021 1000 1001 1 1022 1002 1003 2 1023 1002 1019 am 1024 1004 1007 1 1025 1004 1005 1 1026 1004 1006 1 1027 1007 1008 ar 1028 1007 1010 ar 1029 1008 1012 ar 1030 1008 1009 1 1031 1010 1014 ar 1032 1010 1011 1 1033 1012 1016 ar 1034 1012 1013 1 1035 1014 1016 ar 1036 1014 1015 1 1037 1016 1017 1 1038 1017 1018 1 1039 1019 1021 1 1040 1019 1020 1 1041 1021 1025 1 1042 1021 1023 1 1043 1021 1022 1 1044 1023 1024 2 1045 1023 1038 am 1046 1025 1030 1 1047 1025 1027 1 1048 1025 1026 1 1049 1027 1034 1 1050 1027 1028 1 1051 1027 1029 1 1052 1030 1031 1 1053 1030 1032 1 1054 1030 1033 1 1055 1034 1035 1 1056 1034 1036 1 1057 1034 1037 1 1058 1038 1040 1 1059 1038 1039 1 1060 1040 1044 1 1061 1040 1042 1 1062 1040 1041 1 1063 1042 1043 2 1064 1042 1050 am 1065 1044 1047 1 1066 1044 1045 1 1067 1044 1046 1 1068 1047 1048 ar 1069 1047 1049 ar 1070 1050 1052 1 1071 1050 1051 1 1072 1052 1056 1 1073 1052 1054 1 1074 1052 1053 1 1075 1054 1055 2 1076 1054 1069 am 1077 1056 1059 1 1078 1056 1057 1 1079 1056 1058 1 1080 1059 1061 1 1081 1059 1065 1 1082 1059 1060 1 1083 1061 1062 1 1084 1061 1063 1 1085 1061 1064 1 1086 1065 1066 1 1087 1065 1067 1 1088 1065 1068 1 1089 1069 1071 1 1090 1069 1070 1 1091 1071 1075 1 1092 1071 1073 1 1093 1071 1072 1 1094 1073 1074 2 1095 1073 1080 am 1096 1075 1078 1 1097 1075 1076 1 1098 1075 1077 1 1099 1078 1079 1 1100 1080 1082 1 1101 1080 1081 1 1102 1082 1086 1 1103 1082 1084 1 1104 1082 1083 1 1105 1084 1085 2 1106 1084 1090 am 1107 1086 1087 1 1108 1086 1088 1 1109 1086 1089 1 1110 1090 1092 1 1111 1090 1091 1 1112 1092 1096 1 1113 1092 1094 1 1114 1092 1093 1 1115 1094 1095 2 1116 1094 1114 am 1117 1096 1099 1 1118 1096 1097 1 1119 1096 1098 1 1120 1099 1100 ar 1121 1099 1102 ar 1122 1100 1103 ar 1123 1100 1101 1 1124 1102 1105 ar 1125 1102 1106 ar 1126 1103 1105 ar 1127 1103 1104 1 1128 1105 1108 ar 1129 1106 1110 ar 1130 1106 1107 1 1131 1108 1112 ar 1132 1108 1109 1 1133 1110 1112 ar 1134 1110 1111 1 1135 1112 1113 1 1136 1114 1116 1 1137 1114 1115 1 1138 1116 1120 1 1139 1116 1118 1 1140 1116 1117 1 1141 1118 1119 2 1142 1118 1124 am 1143 1120 1123 1 1144 1120 1121 1 1145 1120 1122 1 1146 1124 1126 1 1147 1124 1125 1 1148 1126 1130 1 1149 1126 1128 1 1150 1126 1127 1 1151 1128 1129 2 1152 1128 1145 am 1153 1130 1133 1 1154 1130 1131 1 1155 1130 1132 1 1156 1133 1134 ar 1157 1133 1136 ar 1158 1134 1138 ar 1159 1134 1135 1 1160 1136 1140 ar 1161 1136 1137 1 1162 1138 1142 ar 1163 1138 1139 1 1164 1140 1142 ar 1165 1140 1141 1 1166 1142 1143 1 1167 1143 1144 1 1168 1145 1147 1 1169 1145 1146 1 1170 1147 1151 1 1171 1147 1149 1 1172 1147 1148 1 1173 1149 1150 2 1174 1149 1166 am 1175 1151 1154 1 1176 1151 1152 1 1177 1151 1153 1 1178 1154 1155 ar 1179 1154 1157 ar 1180 1155 1159 ar 1181 1155 1156 1 1182 1157 1161 ar 1183 1157 1158 1 1184 1159 1163 ar 1185 1159 1160 1 1186 1161 1163 ar 1187 1161 1162 1 1188 1163 1164 1 1189 1164 1165 1 1190 1166 1168 1 1191 1166 1167 1 1192 1168 1172 1 1193 1168 1170 1 1194 1168 1169 1 1195 1170 1171 2 1196 1170 1176 am 1197 1172 1175 1 1198 1172 1173 1 1199 1172 1174 1 1200 1176 1178 1 1201 1176 1177 1 1202 1178 1182 1 1203 1178 1180 1 1204 1178 1179 1 1205 1180 1181 2 1206 1180 1193 am 1207 1182 1185 1 1208 1182 1183 1 1209 1182 1184 1 1210 1185 1188 1 1211 1185 1186 1 1212 1185 1187 1 1213 1188 1189 2 1214 1188 1190 am 1215 1190 1191 1 1216 1190 1192 1 1217 1193 1195 1 1218 1193 1194 1 1219 1195 1199 1 1220 1195 1197 1 1221 1195 1196 1 1222 1197 1198 2 1223 1197 1203 am 1224 1199 1200 1 1225 1199 1201 1 1226 1199 1202 1 1227 1203 1205 1 1228 1203 1204 1 1229 1205 1209 1 1230 1205 1207 1 1231 1205 1206 1 1232 1207 1208 2 1233 1207 1224 am 1234 1209 1212 1 1235 1209 1210 1 1236 1209 1211 1 1237 1212 1213 ar 1238 1212 1215 ar 1239 1213 1217 ar 1240 1213 1214 1 1241 1215 1219 ar 1242 1215 1216 1 1243 1217 1221 ar 1244 1217 1218 1 1245 1219 1221 ar 1246 1219 1220 1 1247 1221 1222 1 1248 1222 1223 1 1249 1224 1226 1 1250 1224 1225 1 1251 1226 1230 1 1252 1226 1228 1 1253 1226 1227 1 1254 1228 1229 2 1255 1228 1240 am 1256 1230 1232 1 1257 1230 1236 1 1258 1230 1231 1 1259 1232 1233 1 1260 1232 1234 1 1261 1232 1235 1 1262 1236 1237 1 1263 1236 1238 1 1264 1236 1239 1 1265 1240 1242 1 1266 1240 1241 1 1267 1242 1246 1 1268 1242 1244 1 1269 1242 1243 1 1270 1244 1245 2 1271 1244 1257 am 1272 1246 1249 1 1273 1246 1247 1 1274 1246 1248 1 1275 1249 1250 ar 1276 1249 1251 ar 1277 1250 1253 ar 1278 1251 1255 ar 1279 1251 1252 1 1280 1253 1255 ar 1281 1253 1254 1 1282 1255 1256 1 1283 1257 1259 1 1284 1257 1258 1 1285 1259 1263 1 1286 1259 1261 1 1287 1259 1260 1 1288 1261 1274 am 1289 1261 1262 2 1290 1263 1266 1 1291 1263 1264 1 1292 1263 1265 1 1293 1266 1267 ar 1294 1266 1268 ar 1295 1267 1270 ar 1296 1268 1272 ar 1297 1268 1269 1 1298 1270 1272 ar 1299 1270 1271 1 1300 1272 1273 1 1301 1274 1276 1 1302 1274 1275 1 1303 1276 1278 1 1304 1276 1280 1 1305 1276 1277 1 1306 1278 1279 2 1307 1278 1291 am 1308 1280 1283 1 1309 1280 1281 1 1310 1280 1282 1 1311 1283 1286 1 1312 1283 1284 1 1313 1283 1285 1 1314 1286 1287 2 1315 1286 1288 am 1316 1288 1289 1 1317 1288 1290 1 1318 1291 1293 1 1319 1291 1292 1 1320 1293 1297 1 1321 1293 1295 1 1322 1293 1294 1 1323 1295 1296 2 1324 1295 1301 am 1325 1297 1298 1 1326 1297 1299 1 1327 1297 1300 1 1328 1301 1303 1 1329 1301 1302 1 1330 1303 1307 1 1331 1303 1305 1 1332 1303 1304 1 1333 1305 1320 am 1334 1305 1306 2 1335 1307 1310 1 1336 1307 1308 1 1337 1307 1309 1 1338 1310 1312 1 1339 1310 1316 1 1340 1310 1311 1 1341 1312 1313 1 1342 1312 1314 1 1343 1312 1315 1 1344 1316 1317 1 1345 1316 1318 1 1346 1316 1319 1 1347 1320 1322 1 1348 1320 1321 1 1349 1322 1324 1 1350 1322 1326 1 1351 1322 1323 1 1352 1324 1325 2 1353 1324 1339 am 1354 1326 1329 1 1355 1326 1327 1 1356 1326 1328 1 1357 1329 1331 1 1358 1329 1335 1 1359 1329 1330 1 1360 1331 1332 1 1361 1331 1333 1 1362 1331 1334 1 1363 1335 1336 1 1364 1335 1337 1 1365 1335 1338 1 1366 1339 1341 1 1367 1339 1340 1 1368 1341 1345 1 1369 1341 1343 1 1370 1341 1342 1 1371 1343 1344 2 1372 1343 1351 am 1373 1345 1348 1 1374 1345 1346 1 1375 1345 1347 1 1376 1348 1349 ar 1377 1348 1350 ar 1378 1351 1353 1 1379 1351 1352 1 1380 1353 1357 1 1381 1353 1355 1 1382 1353 1354 1 1383 1355 1356 2 1384 1355 1367 am 1385 1357 1359 1 1386 1357 1363 1 1387 1357 1358 1 1388 1359 1360 1 1389 1359 1361 1 1390 1359 1362 1 1391 1363 1364 1 1392 1363 1365 1 1393 1363 1366 1 1394 1367 1369 1 1395 1367 1368 1 1396 1369 1373 1 1397 1369 1371 1 1398 1369 1370 1 1399 1371 1372 2 1400 1371 1389 am 1401 1373 1376 1 1402 1373 1374 1 1403 1373 1375 1 1404 1376 1379 1 1405 1376 1377 1 1406 1376 1378 1 1407 1379 1382 1 1408 1379 1380 1 1409 1379 1381 1 1410 1382 1385 1 1411 1382 1383 1 1412 1382 1384 1 1413 1385 1386 1 1414 1385 1387 1 1415 1385 1388 1 1416 1389 1391 1 1417 1389 1390 1 1418 1391 1395 1 1419 1391 1393 1 1420 1391 1392 1 1421 1393 1394 2 1422 1393 1403 am 1423 1395 1398 1 1424 1395 1396 1 1425 1395 1397 1 1426 1398 1399 2 1427 1398 1400 am 1428 1400 1401 1 1429 1400 1402 1 1430 1403 1405 1 1431 1403 1404 1 1432 1405 1409 1 1433 1405 1407 1 1434 1405 1406 1 1435 1407 1408 2 1436 1407 1422 am 1437 1409 1414 1 1438 1409 1411 1 1439 1409 1410 1 1440 1411 1418 1 1441 1411 1412 1 1442 1411 1413 1 1443 1414 1415 1 1444 1414 1416 1 1445 1414 1417 1 1446 1418 1419 1 1447 1418 1420 1 1448 1418 1421 1 1449 1422 1424 1 1450 1422 1423 1 1451 1424 1428 1 1452 1424 1426 1 1453 1424 1425 1 1454 1426 1427 2 1455 1426 1432 am 1456 1428 1429 1 1457 1428 1430 1 1458 1428 1431 1 1459 1432 1434 1 1460 1432 1433 1 1461 1434 1438 1 1462 1434 1436 1 1463 1434 1435 1 1464 1436 1449 am 1465 1436 1437 2 1466 1438 1441 1 1467 1438 1439 1 1468 1438 1440 1 1469 1441 1442 ar 1470 1441 1443 ar 1471 1442 1445 ar 1472 1443 1447 ar 1473 1443 1444 1 1474 1445 1447 ar 1475 1445 1446 1 1476 1447 1448 1 1477 1449 1451 1 1478 1449 1450 1 1479 1451 1453 1 1480 1451 1455 1 1481 1451 1452 1 1482 1453 1454 2 1483 1453 1466 am 1484 1455 1458 1 1485 1455 1456 1 1486 1455 1457 1 1487 1458 1461 1 1488 1458 1459 1 1489 1458 1460 1 1490 1461 1462 2 1491 1461 1463 am 1492 1463 1464 1 1493 1463 1465 1 1494 1466 1468 1 1495 1466 1467 1 1496 1468 1472 1 1497 1468 1470 1 1498 1468 1469 1 1499 1470 1471 2 1500 1470 1480 am 1501 1472 1475 1 1502 1472 1473 1 1503 1472 1474 1 1504 1475 1476 2 1505 1475 1477 am 1506 1477 1478 1 1507 1477 1479 1 1508 1480 1482 1 1509 1480 1481 1 1510 1482 1486 1 1511 1482 1484 1 1512 1482 1483 1 1513 1484 1485 2 1514 1484 1502 am 1515 1486 1489 1 1516 1486 1487 1 1517 1486 1488 1 1518 1489 1492 1 1519 1489 1490 1 1520 1489 1491 1 1521 1492 1495 1 1522 1492 1493 1 1523 1492 1494 1 1524 1495 1498 1 1525 1495 1496 1 1526 1495 1497 1 1527 1498 1499 1 1528 1498 1500 1 1529 1498 1501 1 1530 1502 1504 1 1531 1502 1503 1 1532 1504 1508 1 1533 1504 1506 1 1534 1504 1505 1 1535 1506 1522 am 1536 1506 1507 2 1537 1508 1511 1 1538 1508 1509 1 1539 1508 1510 1 1540 1511 1512 ar 1541 1511 1514 ar 1542 1512 1516 ar 1543 1512 1513 1 1544 1514 1518 ar 1545 1514 1515 1 1546 1516 1520 ar 1547 1516 1517 1 1548 1518 1520 ar 1549 1518 1519 1 1550 1520 1521 1 1551 1522 1523 1 1552 1522 1524 1 @SUBSTRUCTURE 1 GLY1 1 RESIDUE 1 A GLY 1 ROOT 2 SER2 9 RESIDUE 1 A SER 2 3 PRO3 19 RESIDUE 1 A PRO 2 4 LEU4 34 RESIDUE 1 A LEU 2 5 PRO5 52 RESIDUE 1 A PRO 2 6 TRP6 67 RESIDUE 1 A TRP 2 7 CYS7 91 RESIDUE 1 A CYS 2 8 PRO8 100 RESIDUE 1 A PRO 2 9 HIS9 115 RESIDUE 1 A HIS 2 10 LEU10 132 RESIDUE 1 A LEU 2 11 VAL11 151 RESIDUE 1 A VAL 2 12 ALA12 167 RESIDUE 1 A ALA 2 13 VAL13 177 RESIDUE 1 A VAL 2 14 CYS14 193 RESIDUE 1 A CYS 2 15 PRO15 203 RESIDUE 1 A PRO 2 16 ILE16 218 RESIDUE 1 A ILE 2 17 PRO17 236 RESIDUE 1 A PRO 2 18 ALA18 251 RESIDUE 1 A ALA 2 19 ALA19 261 RESIDUE 1 A ALA 2 20 GLY20 271 RESIDUE 1 A GLY 2 21 LEU21 278 RESIDUE 1 A LEU 2 22 ASP22 297 RESIDUE 1 A ASP 2 23 VAL23 309 RESIDUE 1 A VAL 2 24 THR24 325 RESIDUE 1 A THR 2 25 GLN25 339 RESIDUE 1 A GLN 2 26 PRO26 355 RESIDUE 1 A PRO 2 27 CYS27 370 RESIDUE 1 A CYS 2 28 GLY28 380 RESIDUE 1 A GLY 2 29 ASP29 387 RESIDUE 1 A ASP 2 30 CYS30 399 RESIDUE 1 A CYS 2 31 GLY31 409 RESIDUE 1 A GLY 2 32 THR32 416 RESIDUE 1 A THR 2 33 ILE33 430 RESIDUE 1 A ILE 2 34 GLN34 449 RESIDUE 1 A GLN 2 35 GLU35 466 RESIDUE 1 A GLU 2 36 ASN36 481 RESIDUE 1 A ASN 2 37 TRP37 495 RESIDUE 1 A TRP 2 38 VAL38 519 RESIDUE 1 A VAL 2 39 CYS39 535 RESIDUE 1 A CYS 2 40 LEU40 545 RESIDUE 1 A LEU 2 41 SER41 564 RESIDUE 1 A SER 2 42 CYS42 575 RESIDUE 1 A CYS 2 43 TYR43 585 RESIDUE 1 A TYR 2 44 GLN44 606 RESIDUE 1 A GLN 2 45 VAL45 623 RESIDUE 1 A VAL 2 46 TYR46 639 RESIDUE 1 A TYR 2 47 CYS47 660 RESIDUE 1 A CYS 2 48 GLY48 670 RESIDUE 1 A GLY 2 49 ARG49 677 RESIDUE 1 A ARG 2 50 TYR50 701 RESIDUE 1 A TYR 2 51 ILE51 722 RESIDUE 1 A ILE 2 52 ASN52 741 RESIDUE 1 A ASN 2 53 GLY53 755 RESIDUE 1 A GLY 2 54 HIS54 762 RESIDUE 1 A HIS 2 55 MET55 779 RESIDUE 1 A MET 2 56 LEU56 796 RESIDUE 1 A LEU 2 57 GLN57 815 RESIDUE 1 A GLN 2 58 HIS58 832 RESIDUE 1 A HIS 2 59 HIS59 848 RESIDUE 1 A HIS 2 60 GLY60 865 RESIDUE 1 A GLY 2 61 ASN61 872 RESIDUE 1 A ASN 2 62 SER62 886 RESIDUE 1 A SER 2 63 GLY63 897 RESIDUE 1 A GLY 2 64 HIS64 904 RESIDUE 1 A HIS 2 65 PRO65 920 RESIDUE 1 A PRO 2 66 LEU66 935 RESIDUE 1 A LEU 2 67 VAL67 954 RESIDUE 1 A VAL 2 68 LEU68 970 RESIDUE 1 A LEU 2 69 SER69 989 RESIDUE 1 A SER 2 70 TYR70 1000 RESIDUE 1 A TYR 2 71 ILE71 1021 RESIDUE 1 A ILE 2 72 ASP72 1040 RESIDUE 1 A ASP 2 73 LEU73 1052 RESIDUE 1 A LEU 2 74 SER74 1071 RESIDUE 1 A SER 2 75 ALA75 1082 RESIDUE 1 A ALA 2 76 TRP76 1092 RESIDUE 1 A TRP 2 77 CYS77 1116 RESIDUE 1 A CYS 2 78 TYR78 1126 RESIDUE 1 A TYR 2 79 TYR79 1147 RESIDUE 1 A TYR 2 80 CYS80 1168 RESIDUE 1 A CYS 2 81 GLN81 1178 RESIDUE 1 A GLN 2 82 ALA82 1195 RESIDUE 1 A ALA 2 83 TYR83 1205 RESIDUE 1 A TYR 2 84 VAL84 1226 RESIDUE 1 A VAL 2 85 HIS85 1242 RESIDUE 1 A HIS 2 86 HIS86 1259 RESIDUE 1 A HIS 2 87 GLN87 1276 RESIDUE 1 A GLN 2 88 ALA88 1293 RESIDUE 1 A ALA 2 89 LEU89 1303 RESIDUE 1 A LEU 2 90 LEU90 1322 RESIDUE 1 A LEU 2 91 ASP91 1341 RESIDUE 1 A ASP 2 92 VAL92 1353 RESIDUE 1 A VAL 2 93 LYS93 1369 RESIDUE 1 A LYS 2 94 ASN94 1391 RESIDUE 1 A ASN 2 95 ILE95 1405 RESIDUE 1 A ILE 2 96 ALA96 1424 RESIDUE 1 A ALA 2 97 HIS97 1434 RESIDUE 1 A HIS 2 98 GLN98 1451 RESIDUE 1 A GLN 2 99 ASN99 1468 RESIDUE 1 A ASN 2 100 LYS100 1482 RESIDUE 1 A LYS 2 101 PHE101 1504 RESIDUE 1 A PHE 2 102 GLY102 1522 RESIDUE 1 A GLY 1 103 ZN103 1525 RESIDUE 1 A ZN 0 ROOT 104 ZN104 1526 RESIDUE 1 A ZN 0 ROOT 105 ZN105 1527 RESIDUE 1 A ZN 0 ROOT