#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 7w2p_min 961 970 64 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 CA 3.3940 24.0080 -21.0150 C.3 1 ASN1 0.0090 2 HA1 3.5232 24.8376 -21.7097 H 1 ASN1 0.0319 3 HA2 2.9534 24.3786 -20.0901 H 1 ASN1 0.0319 4 HA3 2.7221 23.2740 -21.4592 H 1 ASN1 0.0319 5 C 4.7510 23.3540 -20.7170 C.2 1 ASN1 0.1983 6 O 4.8210 22.0910 -20.6820 O.2 1 ASN1 -0.2798 7 N 5.8140 24.1510 -20.5400 N.am 2 THR2 -0.2450 8 H 5.6770 25.1610 -20.5760 H 2 THR2 0.1312 9 CA 7.1880 23.6280 -20.2930 C.3 2 THR2 0.1134 10 HA 7.4011 22.9188 -21.0921 H 2 THR2 0.0583 11 C 7.2010 22.8840 -18.9530 C.2 2 THR2 0.2212 12 O 7.9000 21.8730 -18.8290 O.2 2 THR2 -0.2777 13 CB 8.2162 24.7731 -20.2989 C.3 2 THR2 0.0763 14 HB 8.0200 25.4144 -19.4319 H 2 THR2 0.0611 15 OG1 8.0117 25.5265 -21.4836 O.3 2 THR2 -0.3900 16 HG1 8.6446 26.2354 -21.5480 H 2 THR2 0.2098 17 CG2 9.6608 24.2418 -20.2319 C.3 2 THR2 -0.0370 18 HG21 10.3924 25.0492 -20.1981 H 2 THR2 0.0255 19 HG22 9.8873 23.6198 -21.0981 H 2 THR2 0.0255 20 HG23 9.8200 23.6340 -19.3410 H 2 THR2 0.0255 21 N 6.4510 23.3660 -17.9650 N.am 3 ALA3 -0.2458 22 H 5.8830 24.1960 -18.1330 H 3 ALA3 0.1312 23 CA 6.4180 22.7290 -16.6260 C.3 3 ALA3 0.0850 24 HA 7.4423 22.6783 -16.2527 H 3 ALA3 0.0554 25 C 5.8900 21.3100 -16.8000 C.2 3 ALA3 0.2184 26 O 6.5250 20.3460 -16.2800 O.2 3 ALA3 -0.2778 27 CB 5.5238 23.5345 -15.6749 C.3 3 ALA3 -0.0411 28 HB1 5.4762 23.0674 -14.6894 H 3 ALA3 0.0249 29 HB2 4.5044 23.6161 -16.0530 H 3 ALA3 0.0249 30 HB3 5.9111 24.5440 -15.5408 H 3 ALA3 0.0249 31 N 4.7800 21.1430 -17.5230 N.am 4 ALA4 -0.2459 32 H 4.3070 21.9590 -17.9100 H 4 ALA4 0.1312 33 CA 4.2240 19.7950 -17.7720 C.3 4 ALA4 0.0850 34 HA 4.0536 19.3391 -16.7965 H 4 ALA4 0.0554 35 C 5.2330 18.9320 -18.5360 C.2 4 ALA4 0.2185 36 O 5.3260 17.7250 -18.2340 O.2 4 ALA4 -0.2778 37 CB 2.9067 19.9233 -18.5421 C.3 4 ALA4 -0.0411 38 HB1 2.4486 18.9470 -18.7030 H 4 ALA4 0.0249 39 HB2 3.0585 20.3923 -19.5146 H 4 ALA4 0.0249 40 HB3 2.1950 20.5334 -17.9861 H 4 ALA4 0.0249 41 N 5.9630 19.4640 -19.5120 N.am 5 SER5 -0.2436 42 H 5.8830 20.4660 -19.6870 H 5 SER5 0.1312 43 CA 6.8900 18.6720 -20.3610 C.3 5 SER5 0.1109 44 HA 6.2881 17.8585 -20.7667 H 5 SER5 0.0580 45 C 7.9900 18.0330 -19.5140 C.2 5 SER5 0.2209 46 O 8.5310 17.0060 -19.9310 O.2 5 SER5 -0.2777 47 CB 7.4648 19.4902 -21.5287 C.3 5 SER5 0.0681 48 HB1 6.6416 19.9947 -22.0438 H 5 SER5 0.0577 49 HB2 7.9199 18.7896 -22.2390 H 5 SER5 0.0577 50 OG 8.4231 20.4537 -21.1075 O.3 5 SER5 -0.3930 51 HG 8.8645 20.8585 -21.8493 H 5 SER5 0.2095 52 N 8.3330 18.6270 -18.3850 N.am 6 LEU6 -0.2456 53 H 7.8180 19.4690 -18.1270 H 6 LEU6 0.1312 54 CA 9.4030 18.1750 -17.4600 C.3 6 LEU6 0.0880 55 HA 10.0521 17.4770 -17.9885 H 6 LEU6 0.0557 56 C 8.7930 17.4430 -16.2550 C.2 6 LEU6 0.2187 57 O 9.5770 16.9850 -15.3740 O.2 6 LEU6 -0.2778 58 CB 10.1795 19.4193 -16.9943 C.3 6 LEU6 -0.0266 59 HB1 10.9642 19.1276 -16.2950 H 6 LEU6 0.0287 60 HB2 9.4982 20.0626 -16.4339 H 6 LEU6 0.0287 61 CG 10.7991 20.2405 -18.1436 C.3 6 LEU6 -0.0449 62 HG 10.0186 20.4929 -18.8612 H 6 LEU6 0.0296 63 CD1 11.3590 21.5678 -17.6182 C.3 6 LEU6 -0.0626 64 HD11 11.7707 22.1685 -18.4293 H 6 LEU6 0.0232 65 HD12 12.1506 21.4001 -16.8874 H 6 LEU6 0.0232 66 HD13 10.5768 22.1558 -17.1365 H 6 LEU6 0.0232 67 CD2 11.8811 19.4523 -18.8930 C.3 6 LEU6 -0.0626 68 HD21 12.3285 20.0578 -19.6812 H 6 LEU6 0.0232 69 HD22 11.4679 18.5613 -19.3651 H 6 LEU6 0.0232 70 HD23 12.6779 19.1382 -18.2187 H 6 LEU6 0.0232 71 N 7.4710 17.2570 -16.2080 N.am 7 GLN7 -0.2456 72 H 6.9200 17.5770 -17.0040 H 7 GLN7 0.1312 73 CA 6.7470 16.6200 -15.0850 C.3 7 GLN7 0.0882 74 HA 7.3991 16.6764 -14.2110 H 7 GLN7 0.0557 75 C 6.4850 15.1380 -15.3930 C.2 7 GLN7 0.2187 76 O 5.9380 14.8390 -16.5060 O.2 7 GLN7 -0.2778 77 CB 5.4573 17.4112 -14.7905 C.3 7 GLN7 -0.0210 78 HB1 4.8660 17.4882 -15.7018 H 7 GLN7 0.0289 79 HB2 5.7318 18.4342 -14.5279 H 7 GLN7 0.0289 80 CG 4.5622 16.8334 -13.6754 C.3 7 GLN7 0.0225 81 HG1 4.0773 15.9227 -14.0200 H 7 GLN7 0.0356 82 HG2 3.7703 17.5373 -13.4216 H 7 GLN7 0.0356 83 CD 5.3284 16.5019 -12.3896 C.2 7 GLN7 0.1981 84 OE1 5.5553 15.3459 -12.0575 O.2 7 GLN7 -0.2798 85 NE2 5.7092 17.5744 -11.6934 N.am 7 GLN7 -0.2724 86 HE21 6.2450 17.5105 -10.8534 H 7 GLN7 0.1266 87 HE22 5.4836 18.5179 -11.9572 H 7 GLN7 0.1266 88 N 6.7710 14.2580 -14.4330 N.am 8 GLN8 -0.2456 89 H 7.2150 14.6190 -13.5890 H 8 GLN8 0.1312 90 CA 6.5000 12.7970 -14.4850 C.3 8 GLN8 0.0882 91 HA 6.8423 12.4723 -15.4686 H 8 GLN8 0.0557 92 C 5.0070 12.4470 -14.3990 C.2 8 GLN8 0.2187 93 O 4.6040 11.4700 -15.0210 O.2 8 GLN8 -0.2778 94 CB 7.3219 12.0628 -13.4115 C.3 8 GLN8 -0.0210 95 HB1 8.3804 12.2469 -13.6005 H 8 GLN8 0.0289 96 HB2 7.1782 10.9876 -13.5311 H 8 GLN8 0.0289 97 CG 6.9907 12.4698 -11.9644 C.3 8 GLN8 0.0225 98 HG1 5.9372 12.3052 -11.7497 H 8 GLN8 0.0356 99 HG2 7.2024 13.5253 -11.7994 H 8 GLN8 0.0356 100 CD 7.8078 11.6558 -10.9524 C.2 8 GLN8 0.1981 101 OE1 8.6320 10.8214 -11.3018 O.2 8 GLN8 -0.2798 102 NE2 7.5245 11.9530 -9.6764 N.am 8 GLN8 -0.2724 103 HE21 8.0053 11.4833 -8.9376 H 8 GLN8 0.1266 104 HE22 6.8331 12.6396 -9.4518 H 8 GLN8 0.1266 105 N 4.2210 13.1740 -13.6510 N.am 9 TRP9 -0.2453 106 H 4.5910 14.0470 -13.2740 H 9 TRP9 0.1312 107 CA 2.8340 12.8100 -13.3200 C.3 9 TRP9 0.0918 108 HA 2.7420 11.7235 -13.3326 H 9 TRP9 0.0560 109 C 1.8840 13.4230 -14.3170 C.2 9 TRP9 0.2190 110 O 2.0930 14.5560 -14.7750 O.2 9 TRP9 -0.2778 111 CB 2.4555 13.3869 -11.9389 C.3 9 TRP9 -0.0021 112 HB1 1.3960 13.2288 -11.7348 H 9 TRP9 0.0334 113 HB2 2.6151 14.4670 -11.9238 H 9 TRP9 0.0334 114 CG 3.2401 12.7667 -10.8005 C.ar 9 TRP9 -0.0260 115 CD1 4.0839 13.4577 -9.9252 C.ar 9 TRP9 -0.0136 116 HD1 4.3177 14.5117 -9.9845 H 9 TRP9 0.0748 117 CD2 3.1777 11.4076 -10.3160 C.ar 9 TRP9 -0.0028 118 NE1 4.5309 12.6092 -8.9678 N.ar 9 TRP9 -0.2641 119 HE1 5.1176 12.8627 -8.2231 H 9 TRP9 0.1331 120 CE2 4.0040 11.3407 -9.1690 C.ar 9 TRP9 0.0269 121 CE3 2.4964 10.2939 -10.7296 C.ar 9 TRP9 -0.0528 122 HE3 1.8468 10.3486 -11.5897 H 9 TRP9 0.0624 123 CZ2 4.1285 10.1647 -8.4790 C.ar 9 TRP9 -0.0430 124 HZ2 4.7495 10.1258 -7.5956 H 9 TRP9 0.0633 125 CZ3 2.6226 9.0927 -10.0315 C.ar 9 TRP9 -0.0611 126 HZ3 2.0758 8.2194 -10.3584 H 9 TRP9 0.0618 127 CH2 3.4396 9.0277 -8.9025 C.ar 9 TRP9 -0.0602 128 HH2 3.5297 8.1028 -8.3511 H 9 TRP9 0.0618 129 N 0.7970 12.7050 -14.5790 N.am 10 LYS10 -0.2456 130 H 0.7100 11.8030 -14.1100 H 10 LYS10 0.1312 131 CA -0.2820 13.0950 -15.4790 C.3 10 LYS10 0.0878 132 HA -0.2183 14.1732 -15.6368 H 10 LYS10 0.0557 133 C -1.6360 12.7890 -14.8650 C.2 10 LYS10 0.2187 134 O -1.7740 11.8600 -14.0400 O.2 10 LYS10 -0.2778 135 CB -0.1755 12.3406 -16.8212 C.3 10 LYS10 -0.0289 136 HB1 -1.0691 12.5719 -17.4042 H 10 LYS10 0.0285 137 HB2 -0.2224 11.2647 -16.6610 H 10 LYS10 0.0285 138 CG 1.0281 12.7209 -17.7052 C.3 10 LYS10 -0.0496 139 HG1 1.1675 13.8025 -17.6755 H 10 LYS10 0.0266 140 HG2 0.7722 12.4895 -18.7399 H 10 LYS10 0.0266 141 CD 2.3661 12.0255 -17.3931 C.3 10 LYS10 -0.0278 142 HD1 2.7646 12.3378 -16.4341 H 10 LYS10 0.0282 143 HD2 3.0924 12.3883 -18.1215 H 10 LYS10 0.0282 144 CE 2.3336 10.4926 -17.4811 C.3 10 LYS10 0.1103 145 HE1 3.3423 10.1202 -17.6671 H 10 LYS10 0.0559 146 HE2 1.7085 10.1626 -18.3124 H 10 LYS10 0.0559 147 NZ 1.8634 9.8407 -16.2655 N.4 10 LYS10 -0.0749 148 HZ1 1.8200 8.8077 -16.3376 H 10 LYS10 0.2742 149 HZ2 0.8870 10.1098 -16.0071 H 10 LYS10 0.2742 150 HZ3 2.4161 10.0952 -15.4201 H 10 LYS10 0.2742 151 N -2.6380 13.5560 -15.2370 N.am 11 VAL11 -0.2454 152 H -2.4450 14.3730 -15.8170 H 11 VAL11 0.1312 153 CA -4.0300 13.2750 -14.8440 C.3 11 VAL11 0.0901 154 HA -4.0481 13.3416 -13.7539 H 11 VAL11 0.0560 155 C -4.3750 11.8370 -15.2250 C.2 11 VAL11 0.2187 156 O -4.1190 11.4060 -16.3540 O.2 11 VAL11 -0.2778 157 CB -4.9912 14.3269 -15.4281 C.3 11 VAL11 -0.0227 158 HB -4.8962 14.3166 -16.5148 H 11 VAL11 0.0315 159 CG1 -6.4547 14.0157 -15.0750 C.3 11 VAL11 -0.0608 160 HG11 -7.1216 14.8065 -15.4190 H 11 VAL11 0.0233 161 HG12 -6.5825 13.9154 -13.9971 H 11 VAL11 0.0233 162 HG13 -6.7895 13.0862 -15.5356 H 11 VAL11 0.0233 163 CG2 -4.6259 15.7353 -14.9285 C.3 11 VAL11 -0.0608 164 HG21 -5.3016 16.4842 -15.3419 H 11 VAL11 0.0233 165 HG22 -3.6125 16.0195 -15.2130 H 11 VAL11 0.0233 166 HG23 -4.6944 15.7935 -13.8416 H 11 VAL11 0.0233 167 N -4.9780 11.1080 -14.2820 N.am 12 GLY12 -0.2485 168 H -5.1590 11.5470 -13.3790 H 12 GLY12 0.1309 169 CA -5.3960 9.7140 -14.4680 C.3 12 GLY12 0.0765 170 HA1 -5.5907 9.5313 -15.5255 H 12 GLY12 0.0521 171 HA2 -6.3247 9.5844 -13.9137 H 12 GLY12 0.0521 172 C -4.3780 8.7340 -13.9610 C.2 12 GLY12 0.2155 173 O -4.6960 7.5240 -13.8790 O.2 12 GLY12 -0.2781 174 N -3.1770 9.1650 -13.6020 N.am 13 ASP13 -0.2454 175 H -2.9690 10.1630 -13.6420 H 13 ASP13 0.1312 176 CA -2.1350 8.2250 -13.1450 C.3 13 ASP13 0.0974 177 HA -2.0317 7.4254 -13.8805 H 13 ASP13 0.0563 178 C -2.5160 7.6540 -11.7700 C.2 13 ASP13 0.2192 179 O -3.0480 8.3500 -10.9120 O.2 13 ASP13 -0.2778 180 CB -0.8005 8.9684 -12.8980 C.3 13 ASP13 0.0576 181 HB1 -0.1591 8.3984 -12.2234 H 13 ASP13 0.0394 182 HB2 -0.9957 9.9151 -12.3977 H 13 ASP13 0.0394 183 CG 0.0834 9.2543 -14.1213 C.2 13 ASP13 0.1780 184 OD1 -0.2444 8.9061 -15.2522 O.co2 13 ASP13 -0.6478 185 OD2 1.1469 9.8418 -13.9436 O.co2 13 ASP13 -0.6478 186 N -2.1450 6.3990 -11.5780 N.am 14 LYS14 -0.2456 187 H -1.8090 5.8560 -12.3740 H 14 LYS14 0.1312 188 CA -2.2010 5.7650 -10.2620 C.3 14 LYS14 0.0878 189 HA -3.0651 6.1500 -9.7167 H 14 LYS14 0.0557 190 C -0.9300 6.0980 -9.5010 C.2 14 LYS14 0.2187 191 O 0.1790 6.0980 -10.0230 O.2 14 LYS14 -0.2778 192 CB -2.2854 4.2366 -10.4239 C.3 14 LYS14 -0.0289 193 HB1 -1.8625 3.7455 -9.5441 H 14 LYS14 0.0285 194 HB2 -1.6637 3.9220 -11.2633 H 14 LYS14 0.0285 195 CG -3.7128 3.6953 -10.5844 C.3 14 LYS14 -0.0496 196 HG1 -4.2216 4.1826 -11.4169 H 14 LYS14 0.0266 197 HG2 -4.2757 3.9536 -9.6860 H 14 LYS14 0.0266 198 CD -3.7017 2.1683 -10.7824 C.3 14 LYS14 -0.0278 199 HD1 -2.7786 1.7675 -10.3596 H 14 LYS14 0.0282 200 HD2 -3.6645 1.9305 -11.8457 H 14 LYS14 0.0282 201 CE -4.8695 1.4408 -10.1034 C.3 14 LYS14 0.1103 202 HE1 -5.8304 1.6709 -10.5645 H 14 LYS14 0.0559 203 HE2 -4.9198 1.7420 -9.0543 H 14 LYS14 0.0559 204 NZ -4.6635 -0.0028 -10.1124 N.4 14 LYS14 -0.0749 205 HZ1 -5.1766 -0.4611 -9.3257 H 14 LYS14 0.2742 206 HZ2 -3.6768 -0.1937 -9.8289 H 14 LYS14 0.2742 207 HZ3 -4.8589 -0.4493 -11.0224 H 14 LYS14 0.2742 208 N -1.0790 6.4260 -8.2480 N.am 15 CYS15 -0.2449 209 H -2.0280 6.4430 -7.8740 H 15 CYS15 0.1312 210 CA 0.0100 6.7710 -7.3420 C.3 15 CYS15 0.0965 211 HA 0.9181 6.2644 -7.6751 H 15 CYS15 0.0565 212 C -0.3480 6.2420 -5.9580 C.2 15 CYS15 0.2195 213 O -1.4100 5.5900 -5.7860 O.2 15 CYS15 -0.2778 214 CB 0.1989 8.2969 -7.3282 C.3 15 CYS15 0.0147 215 HB1 0.3955 8.6388 -8.3438 H 15 CYS15 0.0394 216 HB2 1.0790 8.5642 -6.7415 H 15 CYS15 0.0394 217 SG -1.2249 9.2237 -6.6901 S.3 15 CYS15 -0.1762 218 HG -0.9786 10.5322 -6.7888 H 15 CYS15 0.1017 219 N 0.4800 6.5310 -4.9880 N.am 16 SER16 -0.2436 220 H 1.4300 6.8330 -5.2040 H 16 SER16 0.1312 221 CA 0.0520 6.4240 -3.6000 C.3 16 SER16 0.1109 222 HA -1.0396 6.3783 -3.5893 H 16 SER16 0.0580 223 C 0.3770 7.7320 -2.9110 C.2 16 SER16 0.2209 224 O 1.2040 8.5290 -3.4040 O.2 16 SER16 -0.2777 225 CB 0.5562 5.1595 -2.8935 C.3 16 SER16 0.0681 226 HB1 0.2678 4.2674 -3.4610 H 16 SER16 0.0577 227 HB2 0.0412 5.0663 -1.9381 H 16 SER16 0.0577 228 OG 1.9437 5.1515 -2.6248 O.3 16 SER16 -0.3930 229 HG 2.4217 5.1421 -3.4494 H 16 SER16 0.2095 230 N -0.2790 7.9880 -1.7980 N.am 17 ALA17 -0.2459 231 H -0.9040 7.2790 -1.4140 H 17 ALA17 0.1312 232 CA -0.1340 9.2510 -1.1070 C.3 17 ALA17 0.0850 233 HA 0.8838 9.6204 -1.2566 H 17 ALA17 0.0554 234 C -0.3280 9.0360 0.3840 C.2 17 ALA17 0.2184 235 O -1.0200 8.1000 0.8160 O.2 17 ALA17 -0.2778 236 CB -1.1557 10.2494 -1.6670 C.3 17 ALA17 -0.0411 237 HB1 -1.1316 11.1920 -1.1237 H 17 ALA17 0.0249 238 HB2 -2.1699 9.8581 -1.6073 H 17 ALA17 0.0249 239 HB3 -0.9493 10.4679 -2.7150 H 17 ALA17 0.0249 240 N 0.2850 9.9080 1.1690 N.am 18 ILE18 -0.2454 241 H 0.8850 10.6170 0.7480 H 18 ILE18 0.1312 242 CA 0.1260 9.8840 2.6320 C.3 18 ILE18 0.0903 243 HA 0.1534 8.8371 2.9408 H 18 ILE18 0.0560 244 C -1.2120 10.4740 3.0100 C.2 18 ILE18 0.2189 245 O -1.5390 11.5930 2.6300 O.2 18 ILE18 -0.2778 246 CB 1.3070 10.6252 3.2973 C.3 18 ILE18 -0.0201 247 HB 1.3083 11.6522 2.9269 H 18 ILE18 0.0318 248 CG1 2.6547 9.9790 2.9062 C.3 18 ILE18 -0.0514 249 HG11 2.7124 9.8431 1.8261 H 18 ILE18 0.0266 250 HG12 2.7238 8.9808 3.3390 H 18 ILE18 0.0266 251 CG2 1.1500 10.6680 4.8298 C.3 18 ILE18 -0.0605 252 HG21 1.9725 11.2009 5.3046 H 18 ILE18 0.0233 253 HG22 1.1129 9.6625 5.2507 H 18 ILE18 0.0233 254 HG23 0.2366 11.1836 5.1224 H 18 ILE18 0.0233 255 CD1 3.8772 10.8053 3.3224 C.3 18 ILE18 -0.0650 256 HD11 4.7943 10.3485 2.9500 H 18 ILE18 0.0230 257 HD12 3.9672 10.8816 4.4052 H 18 ILE18 0.0230 258 HD13 3.8238 11.8155 2.9148 H 18 ILE18 0.0230 259 N -1.9480 9.6970 3.7780 N.am 19 TRP19 -0.2453 260 H -1.6450 8.7310 3.9020 H 19 TRP19 0.1312 261 CA -3.1710 10.1200 4.4680 C.3 19 TRP19 0.0918 262 HA -3.5752 10.9736 3.9196 H 19 TRP19 0.0560 263 C -2.6920 10.5920 5.8400 C.2 19 TRP19 0.2191 264 O -2.4060 9.7890 6.7300 O.2 19 TRP19 -0.2778 265 CB -4.2196 9.0083 4.5641 C.3 19 TRP19 -0.0021 266 HB1 -3.8792 8.1811 5.1890 H 19 TRP19 0.0334 267 HB2 -4.4463 8.6061 3.5765 H 19 TRP19 0.0334 268 CG -5.4592 9.6424 5.1515 C.ar 19 TRP19 -0.0260 269 CD1 -5.8266 9.6261 6.4986 C.ar 19 TRP19 -0.0136 270 HD1 -5.3218 9.0942 7.2938 H 19 TRP19 0.0748 271 CD2 -6.3391 10.5792 4.4950 C.ar 19 TRP19 -0.0028 272 NE1 -6.8933 10.4386 6.6703 N.ar 19 TRP19 -0.2641 273 HE1 -7.3231 10.6461 7.5324 H 19 TRP19 0.1331 274 CE2 -7.2115 11.0816 5.4843 C.ar 19 TRP19 0.0269 275 CE3 -6.4057 11.0625 3.2158 C.ar 19 TRP19 -0.0528 276 HE3 -5.7163 10.6979 2.4700 H 19 TRP19 0.0624 277 CZ2 -8.1248 12.0497 5.1677 C.ar 19 TRP19 -0.0430 278 HZ2 -8.7719 12.4471 5.9369 H 19 TRP19 0.0633 279 CZ3 -7.3348 12.0509 2.8897 C.ar 19 TRP19 -0.0611 280 HZ3 -7.3820 12.4542 1.8907 H 19 TRP19 0.0618 281 CH2 -8.1968 12.5454 3.8668 C.ar 19 TRP19 -0.0602 282 HH2 -8.9024 13.3280 3.6248 H 19 TRP19 0.0618 283 N -2.5240 11.9040 5.9740 N.am 20 SER20 -0.2436 284 H -2.9380 12.5460 5.2980 H 20 SER20 0.1312 285 CA -1.7390 12.4250 7.1020 C.3 20 SER20 0.1109 286 HA -0.7601 11.9471 7.0594 H 20 SER20 0.0580 287 C -2.3600 12.0790 8.4550 C.2 20 SER20 0.2209 288 O -1.6290 11.8210 9.3850 O.2 20 SER20 -0.2777 289 CB -1.5807 13.9431 6.9456 C.3 20 SER20 0.0681 290 HB1 -1.0112 14.1443 6.0320 H 20 SER20 0.0577 291 HB2 -1.0144 14.3476 7.7918 H 20 SER20 0.0577 292 OG -2.8575 14.5606 6.8595 O.3 20 SER20 -0.3930 293 HG -2.7909 15.5083 6.7744 H 20 SER20 0.2095 294 N -3.6910 12.0490 8.5470 N.am 21 GLU21 -0.2456 295 H -4.2660 12.1500 7.7110 H 21 GLU21 0.1312 296 CA -4.3270 11.8680 9.8710 C.3 21 GLU21 0.0883 297 HA -3.9982 12.6823 10.5170 H 21 GLU21 0.0557 298 C -3.9560 10.5430 10.4900 C.2 21 GLU21 0.2187 299 O -3.8980 10.4790 11.7320 O.2 21 GLU21 -0.2778 300 CB -5.8674 11.8642 9.7200 C.3 21 GLU21 -0.0193 301 HB1 -6.3206 11.8132 10.7117 H 21 GLU21 0.0290 302 HB2 -6.1861 10.9547 9.2074 H 21 GLU21 0.0290 303 CG -6.4606 13.0689 8.9691 C.3 21 GLU21 0.0356 304 HG1 -6.1214 13.0914 7.9346 H 21 GLU21 0.0374 305 HG2 -6.1473 14.0019 9.4359 H 21 GLU21 0.0374 306 CD -8.0018 13.0090 8.9555 C.2 21 GLU21 0.1760 307 OE1 -8.5562 12.0448 8.4311 O.co2 21 GLU21 -0.6478 308 OE2 -8.6367 13.9272 9.4686 O.co2 21 GLU21 -0.6478 309 N -3.7590 9.4980 9.6940 N.am 22 ASP22 -0.2451 310 H -3.8820 9.6170 8.6880 H 22 ASP22 0.1312 311 CA -3.3690 8.1710 10.2090 C.3 22 ASP22 0.0974 312 HA -3.5649 8.1116 11.2806 H 22 ASP22 0.0563 313 C -1.9270 7.8370 9.9340 C.2 22 ASP22 0.2190 314 O -1.4920 6.7320 10.2660 O.2 22 ASP22 -0.2778 315 CB -4.1298 7.0605 9.4493 C.3 22 ASP22 0.0576 316 HB1 -3.7415 6.0726 9.7032 H 22 ASP22 0.0394 317 HB2 -3.9895 7.1842 8.3762 H 22 ASP22 0.0394 318 CG -5.6349 6.9864 9.6826 C.2 22 ASP22 0.1780 319 OD1 -6.1638 5.8787 9.7421 O.co2 22 ASP22 -0.6478 320 OD2 -6.2879 8.0167 9.7746 O.co2 22 ASP22 -0.6478 321 N -1.1780 8.7190 9.3140 N.am 23 GLY23 -0.2485 322 H -1.5930 9.5900 8.9830 H 23 GLY23 0.1309 323 CA 0.2470 8.4640 9.0930 C.3 23 GLY23 0.0765 324 HA1 0.7221 8.3411 10.0672 H 23 GLY23 0.0521 325 HA2 0.6561 9.3516 8.6124 H 23 GLY23 0.0521 326 C 0.5150 7.2700 8.2430 C.2 23 GLY23 0.2156 327 O 1.4580 6.5130 8.5350 O.2 23 GLY23 -0.2781 328 N -0.2680 7.0580 7.2070 N.am 24 CYS24 -0.2451 329 H -0.9640 7.7590 6.9530 H 24 CYS24 0.1312 330 CA -0.1580 5.8380 6.4160 C.3 24 CYS24 0.0965 331 HA 0.8581 5.4470 6.4961 H 24 CYS24 0.0565 332 C -0.4260 6.1590 4.9500 C.2 24 CYS24 0.2195 333 O -1.0710 7.1650 4.6340 O.2 24 CYS24 -0.2778 334 CB -1.1807 4.8181 6.9394 C.3 24 CYS24 0.0147 335 HB1 -1.0176 4.6643 8.0070 H 24 CYS24 0.0394 336 HB2 -1.0261 3.8495 6.4635 H 24 CYS24 0.0394 337 SG -2.9094 5.3115 6.6916 S.3 24 CYS24 -0.1762 338 HG -3.6258 5.0143 7.7825 H 24 CYS24 0.1017 339 N 0.0850 5.3170 4.0800 N.am 25 ILE25 -0.2454 340 H 0.5540 4.4880 4.4450 H 25 ILE25 0.1312 341 CA 0.0320 5.4800 2.6240 C.3 25 ILE25 0.0903 342 HA -0.1375 6.5383 2.4269 H 25 ILE25 0.0560 343 C -1.1400 4.7070 2.0260 C.2 25 ILE25 0.2189 344 O -1.3900 3.5590 2.4580 O.2 25 ILE25 -0.2778 345 CB 1.4015 5.0881 2.0212 C.3 25 ILE25 -0.0201 346 HB 1.6054 4.0561 2.3107 H 25 ILE25 0.0318 347 CG1 2.5330 5.9788 2.5801 C.3 25 ILE25 -0.0514 348 HG11 2.4124 6.1405 3.6508 H 25 ILE25 0.0266 349 HG12 2.4759 6.9678 2.1234 H 25 ILE25 0.0266 350 CG2 1.3981 5.1618 0.4844 C.3 25 ILE25 -0.0605 351 HG21 2.3715 4.9177 0.0614 H 25 ILE25 0.0233 352 HG22 1.1271 6.1588 0.1349 H 25 ILE25 0.0233 353 HG23 0.6923 4.4537 0.0589 H 25 ILE25 0.0233 354 CD1 3.9309 5.3870 2.3649 C.3 25 ILE25 -0.0650 355 HD11 4.6977 6.0577 2.7529 H 25 ILE25 0.0230 356 HD12 4.1447 5.2187 1.3109 H 25 ILE25 0.0230 357 HD13 4.0329 4.4316 2.8798 H 25 ILE25 0.0230 358 N -1.7720 5.2550 1.0340 N.am 26 TYR26 -0.2453 359 H -1.4320 6.1370 0.6520 H 26 TYR26 0.1312 360 CA -2.9750 4.6280 0.4450 C.3 26 TYR26 0.0920 361 HA -2.9495 3.5684 0.6859 H 26 TYR26 0.0560 362 C -2.9870 4.8550 -1.0630 C.2 26 TYR26 0.2217 363 O -2.5550 5.9040 -1.5160 O.2 26 TYR26 -0.2776 364 CB -4.1566 5.3399 1.1400 C.3 26 TYR26 -0.0036 365 HB1 -4.3690 6.3001 0.6690 H 26 TYR26 0.0333 366 HB2 -3.8808 5.5846 2.1672 H 26 TYR26 0.0333 367 CG -5.4068 4.5109 1.2169 C.ar 26 TYR26 -0.0453 368 CD1 -5.5916 3.6132 2.2655 C.ar 26 TYR26 -0.0561 369 HD1 -4.8297 3.5035 3.0244 H 26 TYR26 0.0621 370 CD2 -6.4049 4.6476 0.2609 C.ar 26 TYR26 -0.0561 371 HD2 -6.2768 5.3203 -0.5718 H 26 TYR26 0.0621 372 CE1 -6.7475 2.8460 2.3415 C.ar 26 TYR26 -0.0317 373 HE1 -6.8854 2.1436 3.1506 H 26 TYR26 0.0643 374 CE2 -7.5502 3.8721 0.3275 C.ar 26 TYR26 -0.0317 375 HE2 -8.2985 3.9673 -0.4384 H 26 TYR26 0.0643 376 CZ -7.7219 2.9672 1.3624 C.ar 26 TYR26 0.0726 377 OH -8.8550 2.1838 1.4088 O.3 26 TYR26 -0.3598 378 HH -9.3131 2.2461 0.5797 H 26 TYR26 0.2173 379 N -3.5860 3.9300 -1.8500 N.am 27 PRO27 -0.2316 380 CA -3.6680 4.1440 -3.2950 C.3 27 PRO27 0.0907 381 HA -2.6519 4.3245 -3.6516 H 27 PRO27 0.0559 382 C -4.5740 5.3090 -3.6740 C.2 27 PRO27 0.2189 383 O -5.6290 5.5260 -3.0540 O.2 27 PRO27 -0.2778 384 CB -4.2111 2.8187 -3.8482 C.3 27 PRO27 -0.0276 385 HB1 -3.6826 2.4993 -4.7473 H 27 PRO27 0.0285 386 HB2 -5.2625 2.9102 -4.1131 H 27 PRO27 0.0285 387 CG -4.0713 1.8095 -2.7125 C.3 27 PRO27 -0.0379 388 HG1 -3.0997 1.3195 -2.7845 H 27 PRO27 0.0278 389 HG2 -4.8334 1.0307 -2.7464 H 27 PRO27 0.0278 390 CD -4.1336 2.6387 -1.4308 C.3 27 PRO27 0.0071 391 HD1 -5.1621 2.7915 -1.1145 H 27 PRO27 0.0431 392 HD2 -3.5464 2.1759 -0.6407 H 27 PRO27 0.0431 393 N -4.2260 5.9520 -4.7810 N.am 28 ALA28 -0.2459 394 H -3.3940 5.6620 -5.2950 H 28 ALA28 0.1312 395 CA -5.0280 7.0740 -5.2700 C.3 28 ALA28 0.0850 396 HA -6.0757 6.8247 -5.0951 H 28 ALA28 0.0554 397 C -4.8440 7.2000 -6.7760 C.2 28 ALA28 0.2185 398 O -3.8650 6.7200 -7.3530 O.2 28 ALA28 -0.2778 399 CB -4.6561 8.3589 -4.5259 C.3 28 ALA28 -0.0411 400 HB1 -5.3912 9.1334 -4.7337 H 28 ALA28 0.0249 401 HB2 -3.6672 8.7224 -4.8078 H 28 ALA28 0.0249 402 HB3 -4.6564 8.1987 -3.4486 H 28 ALA28 0.0249 403 N -5.7670 7.9100 -7.4020 N.am 29 THR29 -0.2434 404 H -6.6010 8.1700 -6.8750 H 29 THR29 0.1313 405 CA -5.6800 8.3510 -8.7960 C.3 29 THR29 0.1135 406 HA -4.7929 7.9025 -9.2436 H 29 THR29 0.0583 407 C -5.5300 9.8730 -8.8100 C.2 29 THR29 0.2212 408 O -6.2280 10.5610 -8.0580 O.2 29 THR29 -0.2777 409 CB -6.9323 7.9121 -9.5787 C.3 29 THR29 0.0763 410 HB -7.7957 8.4409 -9.1569 H 29 THR29 0.0611 411 OG1 -7.1066 6.5141 -9.3920 O.3 29 THR29 -0.3900 412 HG1 -7.8787 6.2077 -9.8558 H 29 THR29 0.2098 413 CG2 -6.8053 8.2332 -11.0815 C.3 29 THR29 -0.0370 414 HG21 -7.6909 7.9352 -11.6426 H 29 THR29 0.0255 415 HG22 -5.9466 7.7195 -11.5148 H 29 THR29 0.0255 416 HG23 -6.6712 9.3007 -11.2544 H 29 THR29 0.0255 417 N -4.7020 10.3930 -9.7010 N.am 30 ILE30 -0.2453 418 H -4.1380 9.7770 -10.2860 H 30 ILE30 0.1312 419 CA -4.5880 11.8450 -9.8550 C.3 30 ILE30 0.0903 420 HA -4.6203 12.2875 -8.8567 H 30 ILE30 0.0560 421 C -5.7910 12.3450 -10.6590 C.2 30 ILE30 0.2189 422 O -5.9740 11.9860 -11.8100 O.2 30 ILE30 -0.2778 423 CB -3.2473 12.2195 -10.5187 C.3 30 ILE30 -0.0201 424 HB -3.2154 11.7825 -11.5191 H 30 ILE30 0.0318 425 CG1 -2.0600 11.6430 -9.7171 C.3 30 ILE30 -0.0514 426 HG11 -2.1221 10.5543 -9.7069 H 30 ILE30 0.0266 427 HG12 -2.1249 11.9594 -8.6756 H 30 ILE30 0.0266 428 CG2 -3.1341 13.7464 -10.6598 C.3 30 ILE30 -0.0605 429 HG21 -2.1874 14.0277 -11.1103 H 30 ILE30 0.0233 430 HG22 -3.2003 14.2341 -9.6882 H 30 ILE30 0.0233 431 HG23 -3.9203 14.1574 -11.2935 H 30 ILE30 0.0233 432 CD1 -0.6825 12.0278 -10.2702 C.3 30 ILE30 -0.0650 433 HD11 0.0981 11.4497 -9.7780 H 30 ILE30 0.0230 434 HD12 -0.4598 13.0809 -10.0989 H 30 ILE30 0.0230 435 HD13 -0.6134 11.8391 -11.3414 H 30 ILE30 0.0230 436 N -6.5920 13.1820 -10.0350 N.am 31 ALA31 -0.2459 437 H -6.3910 13.4340 -9.0670 H 31 ALA31 0.1312 438 CA -7.7710 13.7650 -10.6980 C.3 31 ALA31 0.0850 439 HA -8.1307 13.0612 -11.4514 H 31 ALA31 0.0554 440 C -7.4630 15.0760 -11.3930 C.2 31 ALA31 0.2185 441 O -8.0400 15.3630 -12.4440 O.2 31 ALA31 -0.2778 442 CB -8.8602 13.9732 -9.6432 C.3 31 ALA31 -0.0411 443 HB1 -9.7585 14.4158 -10.0751 H 31 ALA31 0.0249 444 HB2 -8.5180 14.6188 -8.8329 H 31 ALA31 0.0249 445 HB3 -9.1425 13.0145 -9.2132 H 31 ALA31 0.0249 446 N -6.5730 15.8940 -10.8350 N.am 32 SER32 -0.2436 447 H -6.0900 15.5890 -9.9900 H 32 SER32 0.1312 448 CA -6.2600 17.2160 -11.3860 C.3 32 SER32 0.1109 449 HA -6.3278 17.1393 -12.4727 H 32 SER32 0.0580 450 C -4.8150 17.5320 -11.0410 C.2 32 SER32 0.2209 451 O -4.3220 17.0620 -10.0240 O.2 32 SER32 -0.2777 452 CB -7.2208 18.2995 -10.8759 C.3 32 SER32 0.0681 453 HB1 -8.2500 17.9816 -11.0727 H 32 SER32 0.0577 454 HB2 -7.0447 19.2211 -11.4427 H 32 SER32 0.0577 455 OG -7.0421 18.5390 -9.4867 O.3 32 SER32 -0.3930 456 HG -7.6043 19.2485 -9.1825 H 32 SER32 0.2095 457 N -4.1820 18.3520 -11.8730 N.am 33 ILE33 -0.2453 458 H -4.6630 18.6520 -12.7210 H 33 ILE33 0.1312 459 CA -2.8250 18.8450 -11.6270 C.3 33 ILE33 0.0903 460 HA -2.6301 18.7720 -10.5560 H 33 ILE33 0.0560 461 C -2.7460 20.2990 -12.0120 C.2 33 ILE33 0.2189 462 O -3.1840 20.6830 -13.1080 O.2 33 ILE33 -0.2778 463 CB -1.7467 18.0377 -12.3995 C.3 33 ILE33 -0.0201 464 HB -1.9093 18.1841 -13.4684 H 33 ILE33 0.0318 465 CG1 -1.8302 16.5212 -12.1309 C.3 33 ILE33 -0.0514 466 HG11 -2.8308 16.1603 -12.3639 H 33 ILE33 0.0266 467 HG12 -1.6724 16.3282 -11.0692 H 33 ILE33 0.0266 468 CG2 -0.3386 18.5642 -12.0533 C.3 33 ILE33 -0.0605 469 HG21 0.4530 17.9962 -12.5373 H 33 ILE33 0.0233 470 HG22 -0.1685 18.5204 -10.9780 H 33 ILE33 0.0233 471 HG23 -0.1994 19.5983 -12.3662 H 33 ILE33 0.0233 472 CD1 -0.8374 15.6921 -12.9628 C.3 33 ILE33 -0.0650 473 HD11 -1.0131 14.6248 -12.8396 H 33 ILE33 0.0230 474 HD12 0.1960 15.8727 -12.6684 H 33 ILE33 0.0230 475 HD13 -0.9304 15.9181 -14.0247 H 33 ILE33 0.0230 476 N -2.1670 21.1100 -11.1360 N.am 34 ASP34 -0.2451 477 H -1.9990 20.7700 -10.1890 H 34 ASP34 0.1312 478 CA -1.7580 22.4810 -11.4790 C.3 34 ASP34 0.0974 479 HA -2.2146 22.7671 -12.4281 H 34 ASP34 0.0563 480 C -0.2490 22.4560 -11.6350 C.2 34 ASP34 0.2192 481 O 0.4900 22.3210 -10.6610 O.2 34 ASP34 -0.2778 482 CB -2.1912 23.4608 -10.3726 C.3 34 ASP34 0.0576 483 HB1 -1.6772 23.2425 -9.4372 H 34 ASP34 0.0394 484 HB2 -3.2558 23.3355 -10.1811 H 34 ASP34 0.0394 485 CG -1.9492 24.9421 -10.7529 C.2 34 ASP34 0.1780 486 OD1 -1.0677 25.2374 -11.5495 O.co2 34 ASP34 -0.6478 487 OD2 -2.6425 25.8311 -10.2614 O.co2 34 ASP34 -0.6478 488 N 0.2070 22.5340 -12.8750 N.am 35 PHE35 -0.2453 489 H -0.4410 22.7030 -13.6440 H 35 PHE35 0.1312 490 CA 1.6470 22.3770 -13.1490 C.3 35 PHE35 0.0917 491 HA 1.9998 21.5261 -12.5583 H 35 PHE35 0.0560 492 C 2.4830 23.5760 -12.7100 C.2 35 PHE35 0.2190 493 O 3.7060 23.3790 -12.5020 O.2 35 PHE35 -0.2778 494 CB 1.8765 22.0703 -14.6358 C.3 35 PHE35 -0.0036 495 HB1 2.9469 22.0350 -14.8484 H 35 PHE35 0.0333 496 HB2 1.4606 22.8614 -15.2597 H 35 PHE35 0.0333 497 CG 1.2821 20.7432 -15.0295 C.ar 35 PHE35 -0.0454 498 CD1 2.0096 19.5716 -14.8427 C.ar 35 PHE35 -0.0585 499 HD1 2.9974 19.6178 -14.4025 H 35 PHE35 0.0620 500 CD2 0.0031 20.6632 -15.5731 C.ar 35 PHE35 -0.0585 501 HD2 -0.5816 21.5606 -15.7089 H 35 PHE35 0.0620 502 CE1 1.4786 18.3426 -15.2130 C.ar 35 PHE35 -0.0615 503 HE1 2.0523 17.4393 -15.0635 H 35 PHE35 0.0618 504 CE2 -0.5362 19.4339 -15.9309 C.ar 35 PHE35 -0.0615 505 HE2 -1.5336 19.3812 -16.3411 H 35 PHE35 0.0618 506 CZ 0.2039 18.2727 -15.7557 C.ar 35 PHE35 -0.0617 507 HZ -0.2125 17.3143 -16.0279 H 35 PHE35 0.0618 508 N 1.8830 24.7380 -12.5490 N.am 36 LYS36 -0.2456 509 H 0.8990 24.8100 -12.8080 H 36 LYS36 0.1312 510 CA 2.5540 25.9470 -12.0130 C.3 36 LYS36 0.0878 511 HA 3.5096 26.0616 -12.5272 H 36 LYS36 0.0557 512 C 2.7850 25.7800 -10.5060 C.2 36 LYS36 0.2187 513 O 3.8620 26.0320 -9.9750 O.2 36 LYS36 -0.2778 514 CB 1.6207 27.1634 -12.2149 C.3 36 LYS36 -0.0289 515 HB1 2.1458 28.0747 -11.9256 H 36 LYS36 0.0285 516 HB2 0.7825 27.0807 -11.5276 H 36 LYS36 0.0285 517 CG 1.0533 27.3339 -13.6350 C.3 36 LYS36 -0.0496 518 HG1 0.7112 26.3837 -14.0451 H 36 LYS36 0.0266 519 HG2 1.8624 27.6630 -14.2881 H 36 LYS36 0.0266 520 CD -0.1115 28.3421 -13.7048 C.3 36 LYS36 -0.0278 521 HD1 -0.2065 28.6589 -14.7443 H 36 LYS36 0.0282 522 HD2 0.1263 29.2451 -13.1414 H 36 LYS36 0.0282 523 CE -1.4753 27.7645 -13.2713 C.3 36 LYS36 0.1103 524 HE1 -1.6263 26.7820 -13.7245 H 36 LYS36 0.0559 525 HE2 -2.2828 28.4031 -13.6328 H 36 LYS36 0.0559 526 NZ -1.6538 27.6159 -11.8287 N.4 36 LYS36 -0.0749 527 HZ1 -2.5126 27.0614 -11.6109 H 36 LYS36 0.2742 528 HZ2 -1.6560 28.5192 -11.3269 H 36 LYS36 0.2742 529 HZ3 -0.9197 26.9802 -11.4473 H 36 LYS36 0.2742 530 N 1.7240 25.3830 -9.8210 N.am 37 ARG37 -0.2457 531 H 0.8420 25.2090 -10.3020 H 37 ARG37 0.1312 532 CA 1.8190 25.1950 -8.3740 C.3 37 ARG37 0.0879 533 HA 2.3759 26.0293 -7.9446 H 37 ARG37 0.0557 534 C 2.5530 23.9060 -8.0450 C.2 37 ARG37 0.2187 535 O 3.0280 23.7350 -6.8990 O.2 37 ARG37 -0.2778 536 CB 0.4170 25.0844 -7.7387 C.3 37 ARG37 -0.0258 537 HB1 0.5264 24.7878 -6.6944 H 37 ARG37 0.0286 538 HB2 -0.1427 24.2803 -8.2167 H 37 ARG37 0.0286 539 CG -0.4032 26.3805 -7.7617 C.3 37 ARG37 -0.0154 540 HG1 -0.6944 26.6221 -8.7827 H 37 ARG37 0.0299 541 HG2 0.2286 27.2014 -7.4225 H 37 ARG37 0.0299 542 CD -1.6385 26.3066 -6.8448 C.3 37 ARG37 0.1045 543 HD1 -2.1594 27.2649 -6.8102 H 37 ARG37 0.0711 544 HD2 -1.3264 26.0526 -5.8291 H 37 ARG37 0.0711 545 NE -2.5997 25.3189 -7.3360 N.pl3 37 ARG37 -0.4450 546 HE -2.7227 25.2282 -8.3284 H 37 ARG37 0.3153 547 CZ -3.3252 24.5056 -6.5615 C.cat 37 ARG37 0.5062 548 NH1 -3.2700 24.5341 -5.2601 N.pl3 37 ARG37 -0.4573 549 HH11 -3.7874 23.8252 -4.7452 H 37 ARG37 0.3114 550 HH12 -2.7380 25.1949 -4.7517 H 37 ARG37 0.3114 551 NH2 -4.1207 23.6305 -7.0979 N.pl3 37 ARG37 -0.4573 552 HH21 -4.6142 23.0325 -6.4513 H 37 ARG37 0.3114 553 HH22 -4.2330 23.5429 -8.0786 H 37 ARG37 0.3114 554 N 2.6140 22.9620 -8.9780 N.am 38 GLU38 -0.2456 555 H 2.3240 23.1890 -9.9290 H 38 GLU38 0.1312 556 CA 3.0900 21.5910 -8.6820 C.3 38 GLU38 0.0883 557 HA 2.8407 21.0181 -9.5743 H 38 GLU38 0.0557 558 C 2.2840 20.9870 -7.5310 C.2 38 GLU38 0.2188 559 O 2.8290 20.3550 -6.6210 O.2 38 GLU38 -0.2778 560 CB 4.6132 21.5636 -8.4725 C.3 38 GLU38 -0.0193 561 HB1 4.9344 20.5722 -8.1484 H 38 GLU38 0.0290 562 HB2 4.8816 22.2411 -7.6631 H 38 GLU38 0.0290 563 CG 5.3897 21.9586 -9.7430 C.3 38 GLU38 0.0356 564 HG1 6.4068 22.2442 -9.4771 H 38 GLU38 0.0374 565 HG2 4.9460 22.8200 -10.2403 H 38 GLU38 0.0374 566 CD 5.4770 20.7914 -10.7396 C.2 38 GLU38 0.1760 567 OE1 4.5430 20.5830 -11.5154 O.co2 38 GLU38 -0.6478 568 OE2 6.4898 20.0966 -10.7244 O.co2 38 GLU38 -0.6478 569 N 0.9760 21.1300 -7.6340 N.am 39 THR39 -0.2434 570 H 0.6140 21.7210 -8.3830 H 39 THR39 0.1313 571 CA 0.0050 20.4830 -6.7270 C.3 39 THR39 0.1135 572 HA 0.5556 19.7220 -6.1716 H 39 THR39 0.0583 573 C -0.9980 19.7160 -7.5690 C.2 39 THR39 0.2212 574 O -1.0790 19.8930 -8.7850 O.2 39 THR39 -0.2777 575 CB -0.6503 21.4165 -5.6993 C.3 39 THR39 0.0763 576 HB -1.1923 20.7654 -4.9970 H 39 THR39 0.0611 577 OG1 -1.5489 22.3028 -6.3440 O.3 39 THR39 -0.3900 578 HG1 -2.1341 22.6819 -5.6903 H 39 THR39 0.2098 579 CG2 0.3887 22.2041 -4.8909 C.3 39 THR39 -0.0370 580 HG21 -0.0811 22.7844 -4.0968 H 39 THR39 0.0255 581 HG22 0.9466 22.8914 -5.5242 H 39 THR39 0.0255 582 HG23 1.1077 21.5323 -4.4226 H 39 THR39 0.0255 583 N -1.7320 18.8650 -6.8800 N.am 40 CYS40 -0.2448 584 H -1.6000 18.7990 -5.8710 H 40 CYS40 0.1312 585 CA -2.7260 18.0180 -7.5230 C.3 40 CYS40 0.0965 586 HA -3.1400 18.5590 -8.3744 H 40 CYS40 0.0565 587 C -3.8510 17.7510 -6.5470 C.2 40 CYS40 0.2195 588 O -3.7290 18.0240 -5.3630 O.2 40 CYS40 -0.2778 589 CB -2.0751 16.6946 -7.9471 C.3 40 CYS40 0.0147 590 HB1 -1.2501 16.8991 -8.6263 H 40 CYS40 0.0394 591 HB2 -2.7841 16.0872 -8.5044 H 40 CYS40 0.0394 592 SG -1.4718 15.6986 -6.5593 S.3 40 CYS40 -0.1762 593 HG -1.2039 14.4604 -6.9765 H 40 CYS40 0.1017 594 N -4.9120 17.2080 -7.0960 N.am 41 VAL41 -0.2454 595 H -5.0080 17.2220 -8.1110 H 41 VAL41 0.1312 596 CA -5.9710 16.5770 -6.2830 C.3 41 VAL41 0.0901 597 HA -5.7148 16.6971 -5.2305 H 41 VAL41 0.0560 598 C -5.9610 15.0980 -6.5830 C.2 41 VAL41 0.2189 599 O -5.9920 14.7420 -7.7800 O.2 41 VAL41 -0.2778 600 CB -7.3465 17.2246 -6.5200 C.3 41 VAL41 -0.0227 601 HB -7.6000 17.1147 -7.5736 H 41 VAL41 0.0315 602 CG1 -8.4518 16.5355 -5.6992 C.3 41 VAL41 -0.0608 603 HG11 -9.4130 17.0282 -5.8456 H 41 VAL41 0.0233 604 HG12 -8.2242 16.5620 -4.6326 H 41 VAL41 0.0233 605 HG13 -8.5765 15.4908 -5.9855 H 41 VAL41 0.0233 606 CG2 -7.3034 18.7219 -6.1746 C.3 41 VAL41 -0.0608 607 HG21 -8.2638 19.1989 -6.3696 H 41 VAL41 0.0233 608 HG22 -6.5482 19.2543 -6.7526 H 41 VAL41 0.0233 609 HG23 -7.0678 18.8717 -5.1200 H 41 VAL41 0.0233 610 N -5.9050 14.2860 -5.5500 N.am 42 VAL42 -0.2454 611 H -5.7940 14.6800 -4.6160 H 42 VAL42 0.1312 612 CA -5.9970 12.8300 -5.7020 C.3 42 VAL42 0.0901 613 HA -5.9407 12.5919 -6.7647 H 42 VAL42 0.0560 614 C -7.3530 12.3710 -5.1970 C.2 42 VAL42 0.2189 615 O -7.9600 12.9920 -4.3190 O.2 42 VAL42 -0.2778 616 CB -4.8059 12.1612 -4.9861 C.3 42 VAL42 -0.0227 617 HB -4.8691 11.0966 -5.1925 H 42 VAL42 0.0315 618 CG1 -3.4630 12.6336 -5.5647 C.3 42 VAL42 -0.0608 619 HG11 -2.6349 12.0688 -5.1356 H 42 VAL42 0.0233 620 HG12 -3.2835 13.6886 -5.3542 H 42 VAL42 0.0233 621 HG13 -3.4305 12.4972 -6.6459 H 42 VAL42 0.0233 622 CG2 -4.8302 12.3493 -3.4616 C.3 42 VAL42 -0.0608 623 HG21 -4.0050 11.8156 -2.9888 H 42 VAL42 0.0233 624 HG22 -5.7550 11.9678 -3.0319 H 42 VAL42 0.0233 625 HG23 -4.7429 13.3997 -3.1862 H 42 VAL42 0.0233 626 N -7.7900 11.2720 -5.7830 N.am 43 VAL43 -0.2454 627 H -7.2540 10.9010 -6.5680 H 43 VAL43 0.1312 628 CA -9.0120 10.5460 -5.3680 C.3 43 VAL43 0.0901 629 HA -9.5075 11.1197 -4.5833 H 43 VAL43 0.0560 630 C -8.5540 9.2360 -4.7680 C.2 43 VAL43 0.2189 631 O -7.9390 8.4300 -5.4910 O.2 43 VAL43 -0.2778 632 CB -9.9738 10.3716 -6.5561 C.3 43 VAL43 -0.0227 633 HB -9.4186 9.9274 -7.3840 H 43 VAL43 0.0315 634 CG1 -11.1552 9.4456 -6.2172 C.3 43 VAL43 -0.0608 635 HG11 -11.8460 9.3696 -7.0570 H 43 VAL43 0.0233 636 HG12 -11.7138 9.8222 -5.3595 H 43 VAL43 0.0233 637 HG13 -10.8226 8.4349 -5.9791 H 43 VAL43 0.0233 638 CG2 -10.5029 11.7400 -7.0087 C.3 43 VAL43 -0.0608 639 HG21 -11.0972 11.6518 -7.9184 H 43 VAL43 0.0233 640 HG22 -9.6907 12.4377 -7.2052 H 43 VAL43 0.0233 641 HG23 -11.1329 12.1878 -6.2394 H 43 VAL43 0.0233 642 N -8.7790 9.0130 -3.4870 N.am 44 TYR44 -0.2453 643 H -9.2580 9.7200 -2.9290 H 44 TYR44 0.1312 644 CA -8.3480 7.7590 -2.8570 C.3 44 TYR44 0.0917 645 HA -7.3410 7.5365 -3.2167 H 44 TYR44 0.0560 646 C -9.2720 6.6500 -3.2890 C.2 44 TYR44 0.2191 647 O -10.5080 6.7910 -3.3520 O.2 44 TYR44 -0.2778 648 CB -8.3195 7.9398 -1.3331 C.3 44 TYR44 -0.0036 649 HB1 -8.1684 6.9802 -0.8368 H 44 TYR44 0.0333 650 HB2 -9.2719 8.3324 -0.9729 H 44 TYR44 0.0333 651 CG -7.1972 8.8645 -0.9376 C.ar 44 TYR44 -0.0453 652 CD1 -5.8974 8.3778 -0.8349 C.ar 44 TYR44 -0.0561 653 HD1 -5.6888 7.3383 -1.0300 H 44 TYR44 0.0621 654 CD2 -7.4227 10.2239 -0.7397 C.ar 44 TYR44 -0.0561 655 HD2 -8.4199 10.6282 -0.8371 H 44 TYR44 0.0621 656 CE1 -4.8432 9.2248 -0.5265 C.ar 44 TYR44 -0.0317 657 HE1 -3.8392 8.8348 -0.4471 H 44 TYR44 0.0643 658 CE2 -6.3644 11.0781 -0.4538 C.ar 44 TYR44 -0.0317 659 HE2 -6.5404 12.1353 -0.3298 H 44 TYR44 0.0643 660 CZ -5.0744 10.5784 -0.3452 C.ar 44 TYR44 0.0726 661 OH -4.0157 11.4197 -0.0753 O.3 44 TYR44 -0.3598 662 HH -4.3300 12.2944 0.1151 H 44 TYR44 0.2173 663 N -8.6730 5.5410 -3.6630 N.am 45 THR45 -0.2434 664 H -7.6620 5.4370 -3.5790 H 45 THR45 0.1313 665 CA -9.4970 4.4620 -4.2030 C.3 45 THR45 0.1135 666 HA -10.1121 4.8971 -4.9934 H 45 THR45 0.0583 667 C -10.4070 3.8870 -3.1300 C.2 45 THR45 0.2210 668 O -10.0590 3.8280 -1.9130 O.2 45 THR45 -0.2777 669 CB -8.6161 3.3470 -4.8061 C.3 45 THR45 0.0763 670 HB -9.2917 2.6624 -5.3339 H 45 THR45 0.0611 671 OG1 -7.9476 2.6441 -3.7690 O.3 45 THR45 -0.3900 672 HG1 -7.5094 1.8679 -4.1070 H 45 THR45 0.2098 673 CG2 -7.5930 3.8988 -5.8136 C.3 45 THR45 -0.0370 674 HG21 -7.0648 3.0962 -6.3288 H 45 THR45 0.0255 675 HG22 -6.8430 4.5169 -5.3213 H 45 THR45 0.0255 676 HG23 -8.0800 4.5108 -6.5729 H 45 THR45 0.0255 677 N -11.5700 3.4040 -3.5660 N.am 46 GLY46 -0.2484 678 H -11.7980 3.4880 -4.5570 H 46 GLY46 0.1309 679 CA -12.5350 2.7550 -2.6690 C.3 46 GLY46 0.0765 680 HA1 -12.0001 2.0990 -1.9804 H 46 GLY46 0.0521 681 HA2 -13.2021 2.1542 -3.2863 H 46 GLY46 0.0521 682 C -13.3300 3.7720 -1.9120 C.2 46 GLY46 0.2155 683 O -14.5600 3.8140 -2.0080 O.2 46 GLY46 -0.2781 684 N -12.6540 4.5890 -1.1140 N.am 47 TYR47 -0.2456 685 H -11.6440 4.4750 -1.0350 H 47 TYR47 0.1312 686 CA -13.3090 5.6490 -0.3430 C.3 47 TYR47 0.0917 687 HA -14.1229 5.2041 0.2324 H 47 TYR47 0.0560 688 C -13.8930 6.7150 -1.2690 C.2 47 TYR47 0.2188 689 O -14.9860 7.1800 -1.0400 O.2 47 TYR47 -0.2778 690 CB -12.2723 6.3389 0.5669 C.3 47 TYR47 -0.0036 691 HB1 -12.5878 7.3552 0.8098 H 47 TYR47 0.0333 692 HB2 -11.3150 6.4404 0.0524 H 47 TYR47 0.0333 693 CG -12.0769 5.6175 1.8701 C.ar 47 TYR47 -0.0453 694 CD1 -12.7940 6.0159 2.9945 C.ar 47 TYR47 -0.0561 695 HD1 -13.4929 6.8373 2.9283 H 47 TYR47 0.0621 696 CD2 -11.1773 4.5620 1.9775 C.ar 47 TYR47 -0.0561 697 HD2 -10.6114 4.2444 1.1135 H 47 TYR47 0.0621 698 CE1 -12.6254 5.3625 4.2064 C.ar 47 TYR47 -0.0317 699 HE1 -13.1903 5.6675 5.0746 H 47 TYR47 0.0643 700 CE2 -11.0119 3.9029 3.1896 C.ar 47 TYR47 -0.0317 701 HE2 -10.3222 3.0759 3.2699 H 47 TYR47 0.0643 702 CZ -11.7415 4.3003 4.3005 C.ar 47 TYR47 0.0726 703 OH -11.6031 3.6353 5.4984 O.3 47 TYR47 -0.3598 704 HH -11.0931 2.8463 5.3638 H 47 TYR47 0.2173 705 N -13.1180 7.1380 -2.2480 N.am 48 GLY48 -0.2485 706 H -12.1820 6.7450 -2.3460 H 48 GLY48 0.1309 707 CA -13.5650 8.1560 -3.1970 C.3 48 GLY48 0.0765 708 HA1 -14.6139 7.9802 -3.4412 H 48 GLY48 0.0521 709 HA2 -12.9781 8.0108 -4.1033 H 48 GLY48 0.0521 710 C -13.3790 9.5880 -2.7200 C.2 48 GLY48 0.2155 711 O -13.8020 10.5070 -3.4490 O.2 48 GLY48 -0.2781 712 N -12.8380 9.8370 -1.5540 N.am 49 ASN49 -0.2454 713 H -12.5370 9.0650 -0.9590 H 49 ASN49 0.1312 714 CA -12.6620 11.2240 -1.0960 C.3 49 ASN49 0.0957 715 HA -13.5562 11.7865 -1.3716 H 49 ASN49 0.0562 716 C -11.4540 11.7950 -1.8340 C.2 49 ASN49 0.2191 717 O -10.5510 11.0670 -2.3040 O.2 49 ASN49 -0.2778 718 CB -12.4682 11.2769 0.4299 C.3 49 ASN49 0.0446 719 HB1 -13.3063 10.7914 0.9285 H 49 ASN49 0.0375 720 HB2 -12.4497 12.3110 0.7766 H 49 ASN49 0.0375 721 CG -11.1789 10.5762 0.8818 C.2 49 ASN49 0.2000 722 OD1 -11.0650 9.3590 0.8463 O.2 49 ASN49 -0.2797 723 ND2 -10.2245 11.4197 1.3040 N.am 49 ASN49 -0.2723 724 HD21 -9.3498 11.0575 1.6240 H 49 ASN49 0.1266 725 HD22 -10.3417 12.4143 1.3199 H 49 ASN49 0.1266 726 N -11.4510 13.0950 -1.9170 N.am 50 ARG50 -0.2456 727 H -12.1910 13.6020 -1.4330 H 50 ARG50 0.1312 728 CA -10.4620 13.8780 -2.6550 C.3 50 ARG50 0.0879 729 HA -9.8605 13.1929 -3.2379 H 50 ARG50 0.0557 730 C -9.6340 14.6680 -1.6610 C.2 50 ARG50 0.2187 731 O -10.1450 15.1950 -0.6420 O.2 50 ARG50 -0.2778 732 CB -11.2337 14.8901 -3.5480 C.3 50 ARG50 -0.0258 733 HB1 -12.1149 14.4016 -3.9651 H 50 ARG50 0.0286 734 HB2 -10.5949 15.0910 -4.4089 H 50 ARG50 0.0286 735 CG -11.6362 16.2864 -2.9582 C.3 50 ARG50 -0.0154 736 HG1 -12.0193 16.8658 -3.7987 H 50 ARG50 0.0299 737 HG2 -10.7504 16.8410 -2.6449 H 50 ARG50 0.0299 738 CD -12.7193 16.3527 -1.8442 C.3 50 ARG50 0.1045 739 HD1 -13.2728 15.4141 -1.7795 H 50 ARG50 0.0711 740 HD2 -13.4263 17.1581 -2.0528 H 50 ARG50 0.0711 741 NE -12.1370 16.6410 -0.5268 N.pl3 50 ARG50 -0.4450 742 HE -11.1504 16.8209 -0.3814 H 50 ARG50 0.3153 743 CZ -12.7169 16.6457 0.6628 C.cat 50 ARG50 0.5062 744 NH1 -14.0131 16.5795 0.7867 N.pl3 50 ARG50 -0.4573 745 HH11 -14.4015 16.5631 1.7029 H 50 ARG50 0.3114 746 HH12 -14.5806 16.5473 -0.0274 H 50 ARG50 0.3114 747 NH2 -11.9773 16.7071 1.7297 N.pl3 50 ARG50 -0.4573 748 HH21 -12.3215 16.7774 2.6564 H 50 ARG50 0.3114 749 HH22 -10.9658 16.6615 1.6222 H 50 ARG50 0.3114 750 N -8.3700 14.8580 -1.9940 N.am 51 GLU51 -0.2456 751 H -8.0140 14.4260 -2.8470 H 51 GLU51 0.1312 752 CA -7.4650 15.6670 -1.1800 C.3 51 GLU51 0.0883 753 HA -8.0870 16.5260 -0.9284 H 51 GLU51 0.0557 754 C -6.4380 16.3300 -2.0940 C.2 51 GLU51 0.2187 755 O -5.9120 15.6660 -2.9910 O.2 51 GLU51 -0.2778 756 CB -7.0312 15.0371 0.1559 C.3 51 GLU51 -0.0193 757 HB1 -5.9665 14.8035 0.1375 H 51 GLU51 0.0290 758 HB2 -7.5502 14.0885 0.2857 H 51 GLU51 0.0290 759 CG -7.3631 15.9380 1.3757 C.3 51 GLU51 0.0356 760 HG1 -6.8343 16.8878 1.2997 H 51 GLU51 0.0374 761 HG2 -7.0237 15.4621 2.2955 H 51 GLU51 0.0374 762 CD -8.8801 16.2311 1.5210 C.2 51 GLU51 0.1760 763 OE1 -9.3633 17.2581 1.0365 O.co2 51 GLU51 -0.6478 764 OE2 -9.5996 15.4287 2.1084 O.co2 51 GLU51 -0.6478 765 N -6.0750 17.5540 -1.7820 N.am 52 GLU52 -0.2456 766 H -6.5970 18.0740 -1.0760 H 52 GLU52 0.1312 767 CA -4.9160 18.1810 -2.4470 C.3 52 GLU52 0.0883 768 HA -4.9903 17.8431 -3.4759 H 52 GLU52 0.0557 769 C -3.6180 17.6110 -1.8710 C.2 52 GLU52 0.2187 770 O -3.5070 17.3480 -0.6650 O.2 52 GLU52 -0.2778 771 CB -4.9668 19.7403 -2.4992 C.3 52 GLU52 -0.0193 772 HB1 -4.4993 20.1742 -1.6146 H 52 GLU52 0.0290 773 HB2 -6.0073 20.0650 -2.4851 H 52 GLU52 0.0290 774 CG -4.3074 20.2904 -3.7948 C.3 52 GLU52 0.0356 775 HG1 -4.8458 19.8768 -4.6445 H 52 GLU52 0.0374 776 HG2 -3.2766 19.9440 -3.8613 H 52 GLU52 0.0374 777 CD -4.2833 21.8193 -4.0373 C.2 52 GLU52 0.1760 778 OE1 -3.4880 22.5264 -3.4320 O.co2 52 GLU52 -0.6478 779 OE2 -5.0444 22.3204 -4.8635 O.co2 52 GLU52 -0.6478 780 N -2.6630 17.4220 -2.7510 N.am 53 GLN53 -0.2456 781 H -2.8720 17.6020 -3.7330 H 53 GLN53 0.1312 782 CA -1.3070 16.9650 -2.4020 C.3 53 GLN53 0.0882 783 HA -1.1293 17.1199 -1.3356 H 53 GLN53 0.0557 784 C -0.3040 17.7970 -3.2060 C.2 53 GLN53 0.2187 785 O -0.5640 18.1730 -4.3610 O.2 53 GLN53 -0.2778 786 CB -1.1545 15.4837 -2.8082 C.3 53 GLN53 -0.0210 787 HB1 -0.1172 15.1633 -2.6870 H 53 GLN53 0.0289 788 HB2 -1.3629 15.3972 -3.8746 H 53 GLN53 0.0289 789 CG -2.0832 14.5048 -2.0673 C.3 53 GLN53 0.0225 790 HG1 -2.0944 13.5502 -2.5930 H 53 GLN53 0.0356 791 HG2 -3.1140 14.8576 -2.0448 H 53 GLN53 0.0356 792 CD -1.5935 14.2207 -0.6417 C.2 53 GLN53 0.1981 793 OE1 -0.6523 13.4696 -0.4311 O.2 53 GLN53 -0.2798 794 NE2 -2.2832 14.8501 0.3190 N.am 53 GLN53 -0.2724 795 HE21 -2.0339 14.6932 1.2736 H 53 GLN53 0.1266 796 HE22 -3.0316 15.4766 0.1024 H 53 GLN53 0.1266 797 N 0.8740 17.9690 -2.6620 N.am 54 ASN54 -0.2452 798 H 1.0080 17.7850 -1.6670 H 54 ASN54 0.1312 799 CA 2.0080 18.4280 -3.4860 C.3 54 ASN54 0.0957 800 HA 1.6735 19.2775 -4.0845 H 54 ASN54 0.0562 801 C 2.4380 17.3000 -4.4110 C.2 54 ASN54 0.2191 802 O 2.5550 16.1620 -3.9720 O.2 54 ASN54 -0.2778 803 CB 3.1897 18.8389 -2.5994 C.3 54 ASN54 0.0446 804 HB1 4.0238 19.1949 -3.2034 H 54 ASN54 0.0375 805 HB2 3.5468 17.9873 -2.0273 H 54 ASN54 0.0375 806 CG 2.7868 19.9628 -1.6383 C.2 54 ASN54 0.2000 807 OD1 2.2437 20.9870 -2.0339 O.2 54 ASN54 -0.2797 808 ND2 3.0831 19.7079 -0.3566 N.am 54 ASN54 -0.2723 809 HD21 2.8707 20.3635 0.3638 H 54 ASN54 0.1266 810 HD22 3.5249 18.8405 -0.1069 H 54 ASN54 0.1266 811 N 2.7430 17.6060 -5.6690 N.am 55 LEU55 -0.2456 812 H 2.5820 18.5520 -6.0160 H 55 LEU55 0.1312 813 CA 3.3090 16.5880 -6.5570 C.3 55 LEU55 0.0880 814 HA 2.5705 15.7912 -6.6342 H 55 LEU55 0.0557 815 C 4.5650 15.9770 -5.9360 C.2 55 LEU55 0.2187 816 O 4.7760 14.7850 -6.1020 O.2 55 LEU55 -0.2778 817 CB 3.6150 17.1720 -7.9443 C.3 55 LEU55 -0.0266 818 HB1 4.1827 16.4495 -8.5325 H 55 LEU55 0.0287 819 HB2 4.2676 18.0390 -7.8255 H 55 LEU55 0.0287 820 CG 2.3689 17.5811 -8.7507 C.3 55 LEU55 -0.0449 821 HG 1.8063 18.3133 -8.1719 H 55 LEU55 0.0296 822 CD1 2.7999 18.2515 -10.0568 C.3 55 LEU55 -0.0626 823 HD11 1.9865 18.8110 -10.5149 H 55 LEU55 0.0232 824 HD12 3.1547 17.5197 -10.7809 H 55 LEU55 0.0232 825 HD13 3.6135 18.9491 -9.8728 H 55 LEU55 0.0232 826 CD2 1.4468 16.3928 -9.0537 C.3 55 LEU55 -0.0626 827 HD21 0.6599 16.6793 -9.7507 H 55 LEU55 0.0232 828 HD22 0.9674 16.0243 -8.1487 H 55 LEU55 0.0232 829 HD23 1.9990 15.5696 -9.5067 H 55 LEU55 0.0232 830 N 5.3850 16.7780 -5.2560 N.am 56 SER56 -0.2436 831 H 5.1380 17.7630 -5.1670 H 56 SER56 0.1312 832 CA 6.6310 16.3090 -4.6270 C.3 56 SER56 0.1109 833 HA 7.2573 15.8944 -5.4165 H 56 SER56 0.0580 834 C 6.3760 15.2210 -3.5900 C.2 56 SER56 0.2209 835 O 7.3180 14.4820 -3.2760 O.2 56 SER56 -0.2777 836 CB 7.3219 17.5016 -3.9494 C.3 56 SER56 0.0681 837 HB1 7.6134 18.2218 -4.7145 H 56 SER56 0.0577 838 HB2 8.2474 17.2000 -3.4474 H 56 SER56 0.0577 839 OG 6.4778 18.1896 -3.0425 O.3 56 SER56 -0.3930 840 HG 6.1968 17.5999 -2.3360 H 56 SER56 0.2095 841 N 5.1700 15.1620 -3.0660 N.am 57 ASP57 -0.2451 842 H 4.4420 15.7690 -3.4440 H 57 ASP57 0.1312 843 CA 4.8290 14.2540 -1.9550 C.3 57 ASP57 0.0974 844 HA 5.7424 13.9973 -1.4159 H 57 ASP57 0.0563 845 C 4.1780 12.9720 -2.4590 C.2 57 ASP57 0.2192 846 O 3.9440 12.0700 -1.6400 O.2 57 ASP57 -0.2778 847 CB 3.8419 14.9545 -1.0009 C.3 57 ASP57 0.0576 848 HB1 3.5540 14.2833 -0.1922 H 57 ASP57 0.0394 849 HB2 2.9283 15.2222 -1.5310 H 57 ASP57 0.0394 850 CG 4.3797 16.2374 -0.3448 C.2 57 ASP57 0.1780 851 OD1 5.5030 16.6522 -0.6230 O.co2 57 ASP57 -0.6478 852 OD2 3.6481 16.8223 0.4492 O.co2 57 ASP57 -0.6478 853 N 3.8490 12.8720 -3.7400 N.am 58 LEU58 -0.2456 854 H 3.9970 13.6670 -4.3620 H 58 LEU58 0.1312 855 CA 3.2800 11.6420 -4.2680 C.3 58 LEU58 0.0880 856 HA 2.4764 11.3318 -3.5978 H 58 LEU58 0.0557 857 C 4.3440 10.5550 -4.2910 C.2 58 LEU58 0.2187 858 O 5.5170 10.8180 -4.5290 O.2 58 LEU58 -0.2778 859 CB 2.7456 11.8866 -5.6878 C.3 58 LEU58 -0.0266 860 HB1 2.3775 10.9488 -6.1071 H 58 LEU58 0.0287 861 HB2 3.5766 12.2007 -6.3211 H 58 LEU58 0.0287 862 CG 1.6315 12.9446 -5.7827 C.3 58 LEU58 -0.0449 863 HG 2.0081 13.8860 -5.3801 H 58 LEU58 0.0296 864 CD1 1.2732 13.1829 -7.2545 C.3 58 LEU58 -0.0626 865 HD11 0.4900 13.9295 -7.3573 H 58 LEU58 0.0232 866 HD12 0.9267 12.2650 -7.7292 H 58 LEU58 0.0232 867 HD13 2.1382 13.5424 -7.8107 H 58 LEU58 0.0232 868 CD2 0.3834 12.5549 -4.9759 C.3 58 LEU58 -0.0626 869 HD21 -0.4088 13.2929 -5.1035 H 58 LEU58 0.0232 870 HD22 0.5984 12.4999 -3.9087 H 58 LEU58 0.0232 871 HD23 -0.0057 11.5866 -5.2908 H 58 LEU58 0.0232 872 N 3.9130 9.3410 -4.1020 N.am 59 LEU59 -0.2456 873 H 2.9120 9.2020 -3.9640 H 59 LEU59 0.1312 874 CA 4.7810 8.1680 -4.0770 C.3 59 LEU59 0.0880 875 HA 5.8203 8.4764 -4.2012 H 59 LEU59 0.0557 876 C 4.4140 7.2430 -5.2330 C.2 59 LEU59 0.2187 877 O 3.3160 7.2810 -5.7900 O.2 59 LEU59 -0.2778 878 CB 4.5719 7.4819 -2.7145 C.3 59 LEU59 -0.0266 879 HB1 5.1810 6.5797 -2.6483 H 59 LEU59 0.0287 880 HB2 3.5335 7.1646 -2.6469 H 59 LEU59 0.0287 881 CG 4.8455 8.3867 -1.4957 C.3 59 LEU59 -0.0449 882 HG 4.2010 9.2651 -1.5543 H 59 LEU59 0.0296 883 CD1 4.4783 7.6615 -0.1955 C.3 59 LEU59 -0.0626 884 HD11 4.6076 8.3129 0.6695 H 59 LEU59 0.0232 885 HD12 5.1067 6.7832 -0.0512 H 59 LEU59 0.0232 886 HD13 3.4381 7.3340 -0.2088 H 59 LEU59 0.0232 887 CD2 6.2983 8.8777 -1.4510 C.3 59 LEU59 -0.0626 888 HD21 6.4749 9.4863 -0.5637 H 59 LEU59 0.0232 889 HD22 6.5367 9.4974 -2.3152 H 59 LEU59 0.0232 890 HD23 6.9982 8.0425 -1.4295 H 59 LEU59 0.0232 891 N 5.3470 6.3450 -5.5100 N.am 60 SER60 -0.2436 892 H 6.2620 6.4400 -5.0700 H 60 SER60 0.1312 893 CA 5.1210 5.2200 -6.4220 C.3 60 SER60 0.1111 894 HA 5.0378 5.6483 -7.4206 H 60 SER60 0.0580 895 C 3.8260 4.5290 -6.0080 C.2 60 SER60 0.2236 896 O 3.4980 4.4440 -4.8310 O.2 60 SER60 -0.2775 897 CB 6.2923 4.2340 -6.3209 C.3 60 SER60 0.0681 898 HB1 6.1079 3.3692 -6.9679 H 60 SER60 0.0577 899 HB2 6.3735 3.8707 -5.2899 H 60 SER60 0.0577 900 OG 7.4953 4.8862 -6.7074 O.3 60 SER60 -0.3930 901 HG 8.2451 4.2990 -6.6479 H 60 SER60 0.2095 902 N 3.1200 3.9300 -6.9850 N.am 61 PRO61 -0.2315 903 CA 1.9450 3.1820 -6.6050 C.3 61 PRO61 0.0907 904 HA 1.2545 3.8733 -6.1194 H 61 PRO61 0.0559 905 C 2.2440 2.0250 -5.6380 C.2 61 PRO61 0.2189 906 O 3.3320 1.4520 -5.6660 O.2 61 PRO61 -0.2778 907 CB 1.3713 2.7109 -7.9484 C.3 61 PRO61 -0.0276 908 HB1 0.5855 3.4006 -8.2601 H 61 PRO61 0.0285 909 HB2 0.9273 1.7142 -7.9122 H 61 PRO61 0.0285 910 CG 2.5337 2.8025 -8.9372 C.3 61 PRO61 -0.0379 911 HG1 2.2023 2.9672 -9.9626 H 61 PRO61 0.0278 912 HG2 3.0946 1.8673 -8.9136 H 61 PRO61 0.0278 913 CD 3.4163 3.9353 -8.4114 C.3 61 PRO61 0.0071 914 HD1 4.4773 3.7538 -8.5845 H 61 PRO61 0.0431 915 HD2 3.1195 4.9108 -8.8008 H 61 PRO61 0.0431 916 N 1.2530 1.6990 -4.8360 N.am 62 ILE62 -0.2454 917 H 0.4480 2.3200 -4.7500 H 62 ILE62 0.1312 918 CA 1.2930 0.4550 -4.0660 C.3 62 ILE62 0.0903 919 HA 2.2679 0.3942 -3.5783 H 62 ILE62 0.0560 920 C 1.1690 -0.6900 -5.0440 C.2 62 ILE62 0.2190 921 O 0.3940 -0.6540 -6.0090 O.2 62 ILE62 -0.2778 922 CB 0.1687 0.4876 -3.0073 C.3 62 ILE62 -0.0201 923 HB -0.7406 0.8227 -3.5098 H 62 ILE62 0.0318 924 CG1 0.5143 1.4969 -1.8921 C.3 62 ILE62 -0.0514 925 HG11 1.0078 2.3743 -2.3098 H 62 ILE62 0.0266 926 HG12 1.2371 1.0523 -1.2073 H 62 ILE62 0.0266 927 CG2 -0.1229 -0.8986 -2.4017 C.3 62 ILE62 -0.0605 928 HG21 -0.8933 -0.8463 -1.6335 H 62 ILE62 0.0233 929 HG22 0.7710 -1.3278 -1.9492 H 62 ILE62 0.0233 930 HG23 -0.4838 -1.5978 -3.1565 H 62 ILE62 0.0233 931 CD1 -0.7138 1.9747 -1.1139 C.3 62 ILE62 -0.0650 932 HD11 -0.4325 2.6166 -0.2811 H 62 ILE62 0.0230 933 HD12 -1.2883 1.1442 -0.7058 H 62 ILE62 0.0230 934 HD13 -1.3632 2.5483 -1.7707 H 62 ILE62 0.0230 935 N 1.9410 -1.7340 -4.8360 N.am 63 CYS63 -0.2449 936 H 2.5740 -1.7380 -4.0360 H 63 CYS63 0.1312 937 CA 1.9070 -2.8890 -5.7320 C.3 63 CYS63 0.0965 938 HA 2.1673 -2.5316 -6.7301 H 63 CYS63 0.0565 939 C 0.5060 -3.4820 -5.7560 C.2 63 CYS63 0.2195 940 O -0.0640 -3.7460 -4.7000 O.2 63 CYS63 -0.2778 941 CB 2.9143 -3.9438 -5.2588 C.3 63 CYS63 0.0147 942 HB1 2.9041 -4.7917 -5.9454 H 63 CYS63 0.0394 943 HB2 2.6191 -4.3308 -4.2826 H 63 CYS63 0.0394 944 SG 4.6142 -3.3231 -5.1373 S.3 63 CYS63 -0.1762 945 HG 5.4339 -4.3385 -4.8576 H 63 CYS63 0.1017 946 N 0.0200 -3.7560 -6.9540 N.am 64 GLU64 -0.2439 947 H 0.5710 -3.5280 -7.7820 H 64 GLU64 0.1312 948 CA -1.3050 -4.3860 -7.1160 C.3 64 GLU64 0.1010 949 HA -1.4564 -5.0740 -6.2836 H 64 GLU64 0.0576 950 C -1.3260 -5.2430 -8.3740 C.2 64 GLU64 0.1943 951 O -2.2540 -6.0490 -8.5010 O.co2 64 GLU64 -0.6467 952 CB -2.4012 -3.2923 -7.1022 C.3 64 GLU64 -0.0175 953 HB1 -2.5035 -2.9116 -6.0861 H 64 GLU64 0.0291 954 HB2 -3.3640 -3.7360 -7.3585 H 64 GLU64 0.0291 955 CG -2.0944 -2.1092 -8.0390 C.3 64 GLU64 0.0356 956 HG1 -1.9568 -2.4813 -9.0533 H 64 GLU64 0.0374 957 HG2 -1.1580 -1.6326 -7.7546 H 64 GLU64 0.0374 958 CD -3.1785 -1.0058 -8.0890 C.2 64 GLU64 0.1760 959 OE1 -2.8476 0.1604 -8.3092 O.co2 64 GLU64 -0.6478 960 OE2 -4.3741 -1.2693 -7.9563 O.co2 64 GLU64 -0.6478 961 OXT -0.4391 -5.1141 -9.2239 O.co2 64 GLU64 -0.6467 @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 21 am 14 13 17 1 15 13 15 1 16 13 14 1 17 15 16 1 18 17 18 1 19 17 19 1 20 17 20 1 21 21 23 1 22 21 22 1 23 23 27 1 24 23 25 1 25 23 24 1 26 25 26 2 27 25 31 am 28 27 28 1 29 27 29 1 30 27 30 1 31 31 33 1 32 31 32 1 33 33 37 1 34 33 35 1 35 33 34 1 36 35 36 2 37 35 41 am 38 37 38 1 39 37 39 1 40 37 40 1 41 41 43 1 42 41 42 1 43 43 47 1 44 43 45 1 45 43 44 1 46 45 46 2 47 45 52 am 48 47 50 1 49 47 48 1 50 47 49 1 51 50 51 1 52 52 54 1 53 52 53 1 54 54 58 1 55 54 56 1 56 54 55 1 57 56 57 2 58 56 71 am 59 58 61 1 60 58 59 1 61 58 60 1 62 61 63 1 63 61 67 1 64 61 62 1 65 63 64 1 66 63 65 1 67 63 66 1 68 67 68 1 69 67 69 1 70 67 70 1 71 71 73 1 72 71 72 1 73 73 77 1 74 73 75 1 75 73 74 1 76 75 76 2 77 75 88 am 78 77 80 1 79 77 78 1 80 77 79 1 81 80 83 1 82 80 81 1 83 80 82 1 84 83 84 2 85 83 85 am 86 85 86 1 87 85 87 1 88 88 90 1 89 88 89 1 90 90 94 1 91 90 92 1 92 90 91 1 93 92 93 2 94 92 105 am 95 94 97 1 96 94 95 1 97 94 96 1 98 97 100 1 99 97 98 1 100 97 99 1 101 100 101 2 102 100 102 am 103 102 103 1 104 102 104 1 105 105 107 1 106 105 106 1 107 107 111 1 108 107 109 1 109 107 108 1 110 109 110 2 111 109 129 am 112 111 114 1 113 111 112 1 114 111 113 1 115 114 115 ar 116 114 117 ar 117 115 118 ar 118 115 116 1 119 117 120 ar 120 117 121 ar 121 118 120 ar 122 118 119 1 123 120 123 ar 124 121 125 ar 125 121 122 1 126 123 127 ar 127 123 124 1 128 125 127 ar 129 125 126 1 130 127 128 1 131 129 131 1 132 129 130 1 133 131 135 1 134 131 133 1 135 131 132 1 136 133 134 2 137 133 151 am 138 135 138 1 139 135 136 1 140 135 137 1 141 138 141 1 142 138 139 1 143 138 140 1 144 141 144 1 145 141 142 1 146 141 143 1 147 144 147 1 148 144 145 1 149 144 146 1 150 147 148 1 151 147 149 1 152 147 150 1 153 151 153 1 154 151 152 1 155 153 157 1 156 153 155 1 157 153 154 1 158 155 156 2 159 155 167 am 160 157 159 1 161 157 163 1 162 157 158 1 163 159 160 1 164 159 161 1 165 159 162 1 166 163 164 1 167 163 165 1 168 163 166 1 169 167 169 1 170 167 168 1 171 169 172 1 172 169 170 1 173 169 171 1 174 172 173 2 175 172 174 am 176 174 176 1 177 174 175 1 178 176 180 1 179 176 178 1 180 176 177 1 181 178 179 2 182 178 186 am 183 180 183 1 184 180 181 1 185 180 182 1 186 183 184 ar 187 183 185 ar 188 186 188 1 189 186 187 1 190 188 192 1 191 188 190 1 192 188 189 1 193 190 191 2 194 190 208 am 195 192 195 1 196 192 193 1 197 192 194 1 198 195 198 1 199 195 196 1 200 195 197 1 201 198 201 1 202 198 199 1 203 198 200 1 204 201 204 1 205 201 202 1 206 201 203 1 207 204 205 1 208 204 206 1 209 204 207 1 210 208 210 1 211 208 209 1 212 210 214 1 213 210 212 1 214 210 211 1 215 212 213 2 216 212 219 am 217 214 217 1 218 214 215 1 219 214 216 1 220 217 218 1 221 219 221 1 222 219 220 1 223 221 225 1 224 221 223 1 225 221 222 1 226 223 224 2 227 223 230 am 228 225 228 1 229 225 226 1 230 225 227 1 231 228 229 1 232 230 232 1 233 230 231 1 234 232 236 1 235 232 234 1 236 232 233 1 237 234 235 2 238 234 240 am 239 236 237 1 240 236 238 1 241 236 239 1 242 240 242 1 243 240 241 1 244 242 246 1 245 242 244 1 246 242 243 1 247 244 245 2 248 244 259 am 249 246 251 1 250 246 248 1 251 246 247 1 252 248 255 1 253 248 249 1 254 248 250 1 255 251 252 1 256 251 253 1 257 251 254 1 258 255 256 1 259 255 257 1 260 255 258 1 261 259 261 1 262 259 260 1 263 261 265 1 264 261 263 1 265 261 262 1 266 263 264 2 267 263 283 am 268 265 268 1 269 265 266 1 270 265 267 1 271 268 269 ar 272 268 271 ar 273 269 272 ar 274 269 270 1 275 271 274 ar 276 271 275 ar 277 272 274 ar 278 272 273 1 279 274 277 ar 280 275 279 ar 281 275 276 1 282 277 281 ar 283 277 278 1 284 279 281 ar 285 279 280 1 286 281 282 1 287 283 285 1 288 283 284 1 289 285 289 1 290 285 287 1 291 285 286 1 292 287 288 2 293 287 294 am 294 289 292 1 295 289 290 1 296 289 291 1 297 292 293 1 298 294 296 1 299 294 295 1 300 296 300 1 301 296 298 1 302 296 297 1 303 298 299 2 304 298 309 am 305 300 303 1 306 300 301 1 307 300 302 1 308 303 306 1 309 303 304 1 310 303 305 1 311 306 307 ar 312 306 308 ar 313 309 311 1 314 309 310 1 315 311 315 1 316 311 313 1 317 311 312 1 318 313 314 2 319 313 321 am 320 315 318 1 321 315 316 1 322 315 317 1 323 318 319 ar 324 318 320 ar 325 321 323 1 326 321 322 1 327 323 326 1 328 323 324 1 329 323 325 1 330 326 327 2 331 326 328 am 332 328 330 1 333 328 329 1 334 330 334 1 335 330 332 1 336 330 331 1 337 332 333 2 338 332 339 am 339 334 337 1 340 334 335 1 341 334 336 1 342 337 338 1 343 339 341 1 344 339 340 1 345 341 345 1 346 341 343 1 347 341 342 1 348 343 344 2 349 343 358 am 350 345 350 1 351 345 347 1 352 345 346 1 353 347 354 1 354 347 348 1 355 347 349 1 356 350 351 1 357 350 352 1 358 350 353 1 359 354 355 1 360 354 356 1 361 354 357 1 362 358 360 1 363 358 359 1 364 360 364 1 365 360 362 1 366 360 361 1 367 362 363 2 368 362 379 am 369 364 367 1 370 364 365 1 371 364 366 1 372 367 368 ar 373 367 370 ar 374 368 372 ar 375 368 369 1 376 370 374 ar 377 370 371 1 378 372 376 ar 379 372 373 1 380 374 376 ar 381 374 375 1 382 376 377 1 383 377 378 1 384 379 390 1 385 379 380 1 386 380 384 1 387 380 382 1 388 380 381 1 389 382 383 2 390 382 393 am 391 384 387 1 392 384 385 1 393 384 386 1 394 387 390 1 395 387 388 1 396 387 389 1 397 390 391 1 398 390 392 1 399 393 395 1 400 393 394 1 401 395 399 1 402 395 397 1 403 395 396 1 404 397 398 2 405 397 403 am 406 399 400 1 407 399 401 1 408 399 402 1 409 403 405 1 410 403 404 1 411 405 409 1 412 405 407 1 413 405 406 1 414 407 408 2 415 407 417 am 416 409 413 1 417 409 411 1 418 409 410 1 419 411 412 1 420 413 414 1 421 413 415 1 422 413 416 1 423 417 419 1 424 417 418 1 425 419 423 1 426 419 421 1 427 419 420 1 428 421 422 2 429 421 436 am 430 423 428 1 431 423 425 1 432 423 424 1 433 425 432 1 434 425 426 1 435 425 427 1 436 428 429 1 437 428 430 1 438 428 431 1 439 432 433 1 440 432 434 1 441 432 435 1 442 436 438 1 443 436 437 1 444 438 442 1 445 438 440 1 446 438 439 1 447 440 441 2 448 440 446 am 449 442 443 1 450 442 444 1 451 442 445 1 452 446 448 1 453 446 447 1 454 448 452 1 455 448 450 1 456 448 449 1 457 450 451 2 458 450 457 am 459 452 455 1 460 452 453 1 461 452 454 1 462 455 456 1 463 457 459 1 464 457 458 1 465 459 463 1 466 459 461 1 467 459 460 1 468 461 462 2 469 461 476 am 470 463 468 1 471 463 465 1 472 463 464 1 473 465 472 1 474 465 466 1 475 465 467 1 476 468 469 1 477 468 470 1 478 468 471 1 479 472 473 1 480 472 474 1 481 472 475 1 482 476 478 1 483 476 477 1 484 478 482 1 485 478 480 1 486 478 479 1 487 480 481 2 488 480 488 am 489 482 485 1 490 482 483 1 491 482 484 1 492 485 486 ar 493 485 487 ar 494 488 490 1 495 488 489 1 496 490 494 1 497 490 492 1 498 490 491 1 499 492 508 am 500 492 493 2 501 494 497 1 502 494 495 1 503 494 496 1 504 497 498 ar 505 497 500 ar 506 498 502 ar 507 498 499 1 508 500 504 ar 509 500 501 1 510 502 506 ar 511 502 503 1 512 504 506 ar 513 504 505 1 514 506 507 1 515 508 510 1 516 508 509 1 517 510 512 1 518 510 514 1 519 510 511 1 520 512 513 2 521 512 530 am 522 514 517 1 523 514 515 1 524 514 516 1 525 517 520 1 526 517 518 1 527 517 519 1 528 520 523 1 529 520 521 1 530 520 522 1 531 523 526 1 532 523 524 1 533 523 525 1 534 526 527 1 535 526 528 1 536 526 529 1 537 530 532 1 538 530 531 1 539 532 536 1 540 532 534 1 541 532 533 1 542 534 535 2 543 534 554 am 544 536 539 1 545 536 537 1 546 536 538 1 547 539 542 1 548 539 540 1 549 539 541 1 550 542 545 1 551 542 543 1 552 542 544 1 553 545 547 ar 554 545 546 1 555 547 548 ar 556 547 551 ar 557 548 549 1 558 548 550 1 559 551 552 1 560 551 553 1 561 554 556 1 562 554 555 1 563 556 560 1 564 556 558 1 565 556 557 1 566 558 559 2 567 558 569 am 568 560 563 1 569 560 561 1 570 560 562 1 571 563 566 1 572 563 564 1 573 563 565 1 574 566 567 ar 575 566 568 ar 576 569 571 1 577 569 570 1 578 571 575 1 579 571 573 1 580 571 572 1 581 573 574 2 582 573 583 am 583 575 579 1 584 575 577 1 585 575 576 1 586 577 578 1 587 579 580 1 588 579 581 1 589 579 582 1 590 583 585 1 591 583 584 1 592 585 589 1 593 585 587 1 594 585 586 1 595 587 588 2 596 587 594 am 597 589 592 1 598 589 590 1 599 589 591 1 600 592 593 1 601 594 596 1 602 594 595 1 603 596 600 1 604 596 598 1 605 596 597 1 606 598 599 2 607 598 610 am 608 600 602 1 609 600 606 1 610 600 601 1 611 602 603 1 612 602 604 1 613 602 605 1 614 606 607 1 615 606 608 1 616 606 609 1 617 610 612 1 618 610 611 1 619 612 616 1 620 612 614 1 621 612 613 1 622 614 615 2 623 614 626 am 624 616 618 1 625 616 622 1 626 616 617 1 627 618 619 1 628 618 620 1 629 618 621 1 630 622 623 1 631 622 624 1 632 622 625 1 633 626 628 1 634 626 627 1 635 628 632 1 636 628 630 1 637 628 629 1 638 630 631 2 639 630 642 am 640 632 634 1 641 632 638 1 642 632 633 1 643 634 635 1 644 634 636 1 645 634 637 1 646 638 639 1 647 638 640 1 648 638 641 1 649 642 644 1 650 642 643 1 651 644 648 1 652 644 646 1 653 644 645 1 654 646 647 2 655 646 663 am 656 648 651 1 657 648 649 1 658 648 650 1 659 651 652 ar 660 651 654 ar 661 652 656 ar 662 652 653 1 663 654 658 ar 664 654 655 1 665 656 660 ar 666 656 657 1 667 658 660 ar 668 658 659 1 669 660 661 1 670 661 662 1 671 663 665 1 672 663 664 1 673 665 669 1 674 665 667 1 675 665 666 1 676 667 668 2 677 667 677 am 678 669 673 1 679 669 671 1 680 669 670 1 681 671 672 1 682 673 674 1 683 673 675 1 684 673 676 1 685 677 679 1 686 677 678 1 687 679 682 1 688 679 680 1 689 679 681 1 690 682 683 2 691 682 684 am 692 684 686 1 693 684 685 1 694 686 690 1 695 686 688 1 696 686 687 1 697 688 689 2 698 688 705 am 699 690 693 1 700 690 691 1 701 690 692 1 702 693 694 ar 703 693 696 ar 704 694 698 ar 705 694 695 1 706 696 700 ar 707 696 697 1 708 698 702 ar 709 698 699 1 710 700 702 ar 711 700 701 1 712 702 703 1 713 703 704 1 714 705 707 1 715 705 706 1 716 707 710 1 717 707 708 1 718 707 709 1 719 710 711 2 720 710 712 am 721 712 714 1 722 712 713 1 723 714 718 1 724 714 716 1 725 714 715 1 726 716 726 am 727 716 717 2 728 718 721 1 729 718 719 1 730 718 720 1 731 721 722 2 732 721 723 am 733 723 724 1 734 723 725 1 735 726 728 1 736 726 727 1 737 728 730 1 738 728 732 1 739 728 729 1 740 730 731 2 741 730 750 am 742 732 735 1 743 732 733 1 744 732 734 1 745 735 738 1 746 735 736 1 747 735 737 1 748 738 741 1 749 738 739 1 750 738 740 1 751 741 743 ar 752 741 742 1 753 743 744 ar 754 743 747 ar 755 744 745 1 756 744 746 1 757 747 748 1 758 747 749 1 759 750 752 1 760 750 751 1 761 752 756 1 762 752 754 1 763 752 753 1 764 754 755 2 765 754 765 am 766 756 759 1 767 756 757 1 768 756 758 1 769 759 762 1 770 759 760 1 771 759 761 1 772 762 763 ar 773 762 764 ar 774 765 767 1 775 765 766 1 776 767 771 1 777 767 769 1 778 767 768 1 779 769 770 2 780 769 780 am 781 771 774 1 782 771 772 1 783 771 773 1 784 774 777 1 785 774 775 1 786 774 776 1 787 777 778 ar 788 777 779 ar 789 780 782 1 790 780 781 1 791 782 786 1 792 782 784 1 793 782 783 1 794 784 785 2 795 784 797 am 796 786 789 1 797 786 787 1 798 786 788 1 799 789 792 1 800 789 790 1 801 789 791 1 802 792 793 2 803 792 794 am 804 794 795 1 805 794 796 1 806 797 799 1 807 797 798 1 808 799 803 1 809 799 801 1 810 799 800 1 811 801 802 2 812 801 811 am 813 803 806 1 814 803 804 1 815 803 805 1 816 806 807 2 817 806 808 am 818 808 809 1 819 808 810 1 820 811 813 1 821 811 812 1 822 813 817 1 823 813 815 1 824 813 814 1 825 815 816 2 826 815 830 am 827 817 820 1 828 817 818 1 829 817 819 1 830 820 822 1 831 820 826 1 832 820 821 1 833 822 823 1 834 822 824 1 835 822 825 1 836 826 827 1 837 826 828 1 838 826 829 1 839 830 832 1 840 830 831 1 841 832 836 1 842 832 834 1 843 832 833 1 844 834 835 2 845 834 841 am 846 836 839 1 847 836 837 1 848 836 838 1 849 839 840 1 850 841 843 1 851 841 842 1 852 843 847 1 853 843 845 1 854 843 844 1 855 845 846 2 856 845 853 am 857 847 850 1 858 847 848 1 859 847 849 1 860 850 851 ar 861 850 852 ar 862 853 855 1 863 853 854 1 864 855 859 1 865 855 857 1 866 855 856 1 867 857 858 2 868 857 872 am 869 859 862 1 870 859 860 1 871 859 861 1 872 862 864 1 873 862 868 1 874 862 863 1 875 864 865 1 876 864 866 1 877 864 867 1 878 868 869 1 879 868 870 1 880 868 871 1 881 872 874 1 882 872 873 1 883 874 878 1 884 874 876 1 885 874 875 1 886 876 877 2 887 876 891 am 888 878 881 1 889 878 879 1 890 878 880 1 891 881 883 1 892 881 887 1 893 881 882 1 894 883 884 1 895 883 885 1 896 883 886 1 897 887 888 1 898 887 889 1 899 887 890 1 900 891 893 1 901 891 892 1 902 893 897 1 903 893 895 1 904 893 894 1 905 895 896 2 906 895 902 am 907 897 900 1 908 897 898 1 909 897 899 1 910 900 901 1 911 902 913 1 912 902 903 1 913 903 907 1 914 903 905 1 915 903 904 1 916 905 906 2 917 905 916 am 918 907 910 1 919 907 908 1 920 907 909 1 921 910 913 1 922 910 911 1 923 910 912 1 924 913 914 1 925 913 915 1 926 916 918 1 927 916 917 1 928 918 922 1 929 918 920 1 930 918 919 1 931 920 921 2 932 920 935 am 933 922 927 1 934 922 924 1 935 922 923 1 936 924 931 1 937 924 925 1 938 924 926 1 939 927 928 1 940 927 929 1 941 927 930 1 942 931 932 1 943 931 933 1 944 931 934 1 945 935 937 1 946 935 936 1 947 937 941 1 948 937 939 1 949 937 938 1 950 939 940 2 951 939 946 am 952 941 944 1 953 941 942 1 954 941 943 1 955 944 945 1 956 946 948 1 957 946 947 1 958 948 952 1 959 948 950 1 960 948 949 1 961 950 951 ar 962 950 961 ar 963 952 955 1 964 952 953 1 965 952 954 1 966 955 958 1 967 955 956 1 968 955 957 1 969 958 959 ar 970 958 960 ar @SUBSTRUCTURE 1 ASN1 1 RESIDUE 1 A ASN 1 ROOT 2 THR2 9 RESIDUE 1 A THR 2 3 ALA3 23 RESIDUE 1 A ALA 2 4 ALA4 33 RESIDUE 1 A ALA 2 5 SER5 43 RESIDUE 1 A SER 2 6 LEU6 54 RESIDUE 1 A LEU 2 7 GLN7 73 RESIDUE 1 A GLN 2 8 GLN8 90 RESIDUE 1 A GLN 2 9 TRP9 107 RESIDUE 1 A TRP 2 10 LYS10 131 RESIDUE 1 A LYS 2 11 VAL11 153 RESIDUE 1 A VAL 2 12 GLY12 169 RESIDUE 1 A GLY 2 13 ASP13 176 RESIDUE 1 A ASP 2 14 LYS14 188 RESIDUE 1 A LYS 2 15 CYS15 210 RESIDUE 1 A CYS 2 16 SER16 221 RESIDUE 1 A SER 2 17 ALA17 232 RESIDUE 1 A ALA 2 18 ILE18 242 RESIDUE 1 A ILE 2 19 TRP19 261 RESIDUE 1 A TRP 2 20 SER20 285 RESIDUE 1 A SER 2 21 GLU21 296 RESIDUE 1 A GLU 2 22 ASP22 311 RESIDUE 1 A ASP 2 23 GLY23 323 RESIDUE 1 A GLY 2 24 CYS24 330 RESIDUE 1 A CYS 2 25 ILE25 341 RESIDUE 1 A ILE 2 26 TYR26 360 RESIDUE 1 A TYR 2 27 PRO27 380 RESIDUE 1 A PRO 2 28 ALA28 395 RESIDUE 1 A ALA 2 29 THR29 405 RESIDUE 1 A THR 2 30 ILE30 419 RESIDUE 1 A ILE 2 31 ALA31 438 RESIDUE 1 A ALA 2 32 SER32 448 RESIDUE 1 A SER 2 33 ILE33 459 RESIDUE 1 A ILE 2 34 ASP34 478 RESIDUE 1 A ASP 2 35 PHE35 490 RESIDUE 1 A PHE 2 36 LYS36 510 RESIDUE 1 A LYS 2 37 ARG37 532 RESIDUE 1 A ARG 2 38 GLU38 556 RESIDUE 1 A GLU 2 39 THR39 571 RESIDUE 1 A THR 2 40 CYS40 585 RESIDUE 1 A CYS 2 41 VAL41 596 RESIDUE 1 A VAL 2 42 VAL42 612 RESIDUE 1 A VAL 2 43 VAL43 628 RESIDUE 1 A VAL 2 44 TYR44 644 RESIDUE 1 A TYR 2 45 THR45 665 RESIDUE 1 A THR 2 46 GLY46 679 RESIDUE 1 A GLY 2 47 TYR47 686 RESIDUE 1 A TYR 2 48 GLY48 707 RESIDUE 1 A GLY 2 49 ASN49 714 RESIDUE 1 A ASN 2 50 ARG50 728 RESIDUE 1 A ARG 2 51 GLU51 752 RESIDUE 1 A GLU 2 52 GLU52 767 RESIDUE 1 A GLU 2 53 GLN53 782 RESIDUE 1 A GLN 2 54 ASN54 799 RESIDUE 1 A ASN 2 55 LEU55 813 RESIDUE 1 A LEU 2 56 SER56 832 RESIDUE 1 A SER 2 57 ASP57 843 RESIDUE 1 A ASP 2 58 LEU58 855 RESIDUE 1 A LEU 2 59 LEU59 874 RESIDUE 1 A LEU 2 60 SER60 893 RESIDUE 1 A SER 2 61 PRO61 903 RESIDUE 1 A PRO 2 62 ILE62 918 RESIDUE 1 A ILE 2 63 CYS63 937 RESIDUE 1 A CYS 2 64 GLU64 948 RESIDUE 1 A GLU 1