USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 CYS SG : rot -31:sc= 0.827 USER MOD Set 1.2: A 61 THR OG1 : rot 73:sc= 0.756 USER MOD Set 2.1: A 35 GLN : amide:sc= -3.55! C(o=-3.6!,f=-7.2!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.0123 (180deg=-0.214) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 72:sc= 0.106 USER MOD Single : A 20 THR OG1 : rot -28:sc= 0.155 USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= -1 (180deg=-2.73!) USER MOD Single : A 30 ASN : amide:sc= -3! C(o=-3!,f=-3.2!) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= 0.133 (180deg=-0.616) USER MOD Single : A 33 THR OG1 : rot 153:sc= 0.552 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0222) USER MOD Single : A 63 ASN : amide:sc= -2.3! X(o=-2.3!,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.05! C(o=-6!,f=-6.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.54) USER MOD Single : A 74 GLN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.139 -11.580 -0.536 1.00 0.00 N ATOM 119 CA LEU A 11 3.504 -10.502 0.213 1.00 0.00 C ATOM 120 C LEU A 11 4.403 -10.025 1.349 1.00 0.00 C ATOM 121 O LEU A 11 4.763 -8.850 1.416 1.00 0.00 O ATOM 122 CB LEU A 11 2.159 -10.967 0.773 1.00 0.00 C ATOM 123 CG LEU A 11 1.075 -11.282 -0.258 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.122 -11.940 0.410 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.651 -10.016 -0.990 1.00 0.00 C ATOM 0 HA LEU A 11 3.338 -9.668 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.328 -11.859 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.781 -10.195 1.444 1.00 0.00 H new ATOM 0 HG LEU A 11 1.486 -11.979 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.883 -12.157 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.192 -12.868 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.534 -11.267 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.121 -10.259 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.258 -9.295 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.512 -9.586 -1.502 1.00 0.00 H new ATOM 137 N GLU A 12 4.765 -10.945 2.237 1.00 0.00 N ATOM 138 CA GLU A 12 5.623 -10.618 3.369 1.00 0.00 C ATOM 139 C GLU A 12 6.726 -9.648 2.953 1.00 0.00 C ATOM 140 O GLU A 12 6.879 -8.577 3.540 1.00 0.00 O ATOM 141 CB GLU A 12 6.242 -11.889 3.954 1.00 0.00 C ATOM 142 CG GLU A 12 5.215 -12.922 4.387 1.00 0.00 C ATOM 143 CD GLU A 12 5.818 -14.025 5.234 1.00 0.00 C ATOM 144 OE1 GLU A 12 6.980 -14.403 4.977 1.00 0.00 O ATOM 145 OE2 GLU A 12 5.128 -14.511 6.155 1.00 0.00 O ATOM 0 H GLU A 12 4.477 -11.923 2.194 1.00 0.00 H new ATOM 0 HA GLU A 12 5.008 -10.139 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.904 -12.336 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.859 -11.621 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.424 -12.428 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.751 -13.360 3.503 1.00 0.00 H new ATOM 152 N ASP A 13 7.491 -10.032 1.937 1.00 0.00 N ATOM 153 CA ASP A 13 8.579 -9.197 1.441 1.00 0.00 C ATOM 154 C ASP A 13 8.079 -7.796 1.105 1.00 0.00 C ATOM 155 O ASP A 13 8.807 -6.815 1.252 1.00 0.00 O ATOM 156 CB ASP A 13 9.217 -9.835 0.206 1.00 0.00 C ATOM 157 CG ASP A 13 9.601 -11.283 0.435 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.351 -11.553 1.397 1.00 0.00 O ATOM 159 OD2 ASP A 13 9.153 -12.148 -0.348 1.00 0.00 O ATOM 0 H ASP A 13 7.378 -10.916 1.441 1.00 0.00 H new ATOM 0 HA ASP A 13 9.330 -9.116 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.521 -9.775 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.104 -9.267 -0.075 1.00 0.00 H new ATOM 164 N MET A 14 6.833 -7.711 0.652 1.00 0.00 N ATOM 165 CA MET A 14 6.236 -6.429 0.295 1.00 0.00 C ATOM 166 C MET A 14 5.824 -5.654 1.543 1.00 0.00 C ATOM 167 O MET A 14 6.376 -4.595 1.839 1.00 0.00 O ATOM 168 CB MET A 14 5.022 -6.642 -0.611 1.00 0.00 C ATOM 169 CG MET A 14 4.220 -5.375 -0.861 1.00 0.00 C ATOM 170 SD MET A 14 2.517 -5.716 -1.347 1.00 0.00 S ATOM 171 CE MET A 14 1.814 -6.229 0.218 1.00 0.00 C ATOM 0 H MET A 14 6.217 -8.514 0.523 1.00 0.00 H new ATOM 0 HA MET A 14 6.984 -5.846 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.358 -7.044 -1.567 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.371 -7.392 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.221 -4.765 0.042 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.706 -4.790 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.727 -6.166 0.167 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.109 -7.257 0.430 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.178 -5.576 1.012 1.00 0.00 H new ATOM 181 N LYS A 15 4.850 -6.190 2.271 1.00 0.00 N ATOM 182 CA LYS A 15 4.364 -5.550 3.488 1.00 0.00 C ATOM 183 C LYS A 15 5.524 -5.164 4.400 1.00 0.00 C ATOM 184 O LYS A 15 5.553 -4.065 4.954 1.00 0.00 O ATOM 185 CB LYS A 15 3.406 -6.483 4.231 1.00 0.00 C ATOM 186 CG LYS A 15 3.944 -7.892 4.410 1.00 0.00 C ATOM 187 CD LYS A 15 2.850 -8.859 4.831 1.00 0.00 C ATOM 188 CE LYS A 15 2.751 -8.963 6.345 1.00 0.00 C ATOM 189 NZ LYS A 15 2.275 -10.306 6.778 1.00 0.00 N ATOM 0 H LYS A 15 4.382 -7.066 2.039 1.00 0.00 H new ATOM 0 HA LYS A 15 3.831 -4.643 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.187 -6.060 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.463 -6.530 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.392 -8.232 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.735 -7.888 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.894 -8.528 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.052 -9.844 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.727 -8.763 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.070 -8.198 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.221 -10.337 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.333 -10.486 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.939 -11.034 6.444 1.00 0.00 H new ATOM 203 N LYS A 16 6.480 -6.075 4.552 1.00 0.00 N ATOM 204 CA LYS A 16 7.644 -5.829 5.394 1.00 0.00 C ATOM 205 C LYS A 16 8.358 -4.547 4.977 1.00 0.00 C ATOM 206 O LYS A 16 8.931 -3.845 5.810 1.00 0.00 O ATOM 207 CB LYS A 16 8.613 -7.012 5.318 1.00 0.00 C ATOM 208 CG LYS A 16 8.276 -8.136 6.283 1.00 0.00 C ATOM 209 CD LYS A 16 9.174 -9.343 6.067 1.00 0.00 C ATOM 210 CE LYS A 16 9.219 -10.232 7.300 1.00 0.00 C ATOM 211 NZ LYS A 16 9.888 -11.533 7.022 1.00 0.00 N ATOM 0 H LYS A 16 6.471 -6.991 4.103 1.00 0.00 H new ATOM 0 HA LYS A 16 7.299 -5.714 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.614 -7.405 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.623 -6.658 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.382 -7.781 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.234 -8.428 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.813 -9.919 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.182 -9.009 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.748 -9.716 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.204 -10.414 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.898 -12.110 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.369 -12.038 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.865 -11.361 6.709 1.00 0.00 H new ATOM 225 N TYR A 17 8.316 -4.247 3.684 1.00 0.00 N ATOM 226 CA TYR A 17 8.960 -3.049 3.156 1.00 0.00 C ATOM 227 C TYR A 17 8.005 -1.859 3.188 1.00 0.00 C ATOM 228 O TYR A 17 8.287 -0.841 3.819 1.00 0.00 O ATOM 229 CB TYR A 17 9.442 -3.292 1.725 1.00 0.00 C ATOM 230 CG TYR A 17 9.737 -2.021 0.962 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.744 -1.381 0.230 1.00 0.00 C ATOM 232 CD2 TYR A 17 11.008 -1.460 0.973 1.00 0.00 C ATOM 233 CE1 TYR A 17 9.010 -0.220 -0.470 1.00 0.00 C ATOM 234 CE2 TYR A 17 11.282 -0.298 0.277 1.00 0.00 C ATOM 235 CZ TYR A 17 10.280 0.318 -0.443 1.00 0.00 C ATOM 236 OH TYR A 17 10.547 1.475 -1.137 1.00 0.00 O ATOM 0 H TYR A 17 7.843 -4.816 2.982 1.00 0.00 H new ATOM 0 HA TYR A 17 9.819 -2.820 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.342 -3.906 1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.684 -3.861 1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.748 -1.798 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.795 -1.940 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.228 0.264 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.275 0.125 0.297 1.00 0.00 H new ATOM 0 HH TYR A 17 10.116 2.232 -0.689 1.00 0.00 H new ATOM 246 N ALA A 18 6.875 -1.997 2.503 1.00 0.00 N ATOM 247 CA ALA A 18 5.877 -0.936 2.455 1.00 0.00 C ATOM 248 C ALA A 18 5.705 -0.281 3.821 1.00 0.00 C ATOM 249 O ALA A 18 5.422 0.913 3.915 1.00 0.00 O ATOM 250 CB ALA A 18 4.547 -1.485 1.959 1.00 0.00 C ATOM 0 H ALA A 18 6.628 -2.833 1.974 1.00 0.00 H new ATOM 0 HA ALA A 18 6.226 -0.174 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.811 -0.682 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.675 -1.899 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.202 -2.268 2.634 1.00 0.00 H new ATOM 256 N GLU A 19 5.878 -1.070 4.877 1.00 0.00 N ATOM 257 CA GLU A 19 5.741 -0.565 6.238 1.00 0.00 C ATOM 258 C GLU A 19 6.888 0.378 6.587 1.00 0.00 C ATOM 259 O GLU A 19 6.680 1.568 6.823 1.00 0.00 O ATOM 260 CB GLU A 19 5.698 -1.726 7.234 1.00 0.00 C ATOM 261 CG GLU A 19 5.088 -1.354 8.575 1.00 0.00 C ATOM 262 CD GLU A 19 4.925 -2.550 9.493 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.489 -3.615 9.009 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.234 -2.420 10.696 1.00 0.00 O ATOM 0 H GLU A 19 6.113 -2.061 4.816 1.00 0.00 H new ATOM 0 HA GLU A 19 4.806 -0.008 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.126 -2.546 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.711 -2.094 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.718 -0.610 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.115 -0.891 8.411 1.00 0.00 H new ATOM 271 N THR A 20 8.102 -0.164 6.619 1.00 0.00 N ATOM 272 CA THR A 20 9.284 0.627 6.941 1.00 0.00 C ATOM 273 C THR A 20 9.494 1.741 5.922 1.00 0.00 C ATOM 274 O THR A 20 10.246 2.685 6.165 1.00 0.00 O ATOM 275 CB THR A 20 10.549 -0.250 6.994 1.00 0.00 C ATOM 276 OG1 THR A 20 11.640 0.498 7.542 1.00 0.00 O ATOM 277 CG2 THR A 20 10.918 -0.753 5.607 1.00 0.00 C ATOM 0 H THR A 20 8.292 -1.147 6.426 1.00 0.00 H new ATOM 0 HA THR A 20 9.113 1.065 7.924 1.00 0.00 H new ATOM 0 HB THR A 20 10.342 -1.110 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.513 1.451 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.814 -1.370 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.097 -1.346 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.108 0.096 4.951 1.00 0.00 H new ATOM 285 N PHE A 21 8.825 1.626 4.779 1.00 0.00 N ATOM 286 CA PHE A 21 8.939 2.625 3.723 1.00 0.00 C ATOM 287 C PHE A 21 7.832 3.668 3.839 1.00 0.00 C ATOM 288 O PHE A 21 8.052 4.854 3.589 1.00 0.00 O ATOM 289 CB PHE A 21 8.880 1.953 2.349 1.00 0.00 C ATOM 290 CG PHE A 21 8.496 2.890 1.240 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.211 4.056 1.021 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.420 2.603 0.415 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.858 4.920 0.002 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.063 3.464 -0.606 1.00 0.00 C ATOM 295 CZ PHE A 21 7.784 4.623 -0.814 1.00 0.00 C ATOM 0 H PHE A 21 8.199 0.851 4.561 1.00 0.00 H new ATOM 0 HA PHE A 21 9.900 3.127 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.853 1.517 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.163 1.132 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.054 4.292 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.854 1.697 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.422 5.827 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.221 3.230 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.509 5.296 -1.613 1.00 0.00 H new ATOM 305 N LEU A 22 6.641 3.219 4.219 1.00 0.00 N ATOM 306 CA LEU A 22 5.498 4.113 4.368 1.00 0.00 C ATOM 307 C LEU A 22 5.410 4.651 5.792 1.00 0.00 C ATOM 308 O LEU A 22 4.553 5.478 6.101 1.00 0.00 O ATOM 309 CB LEU A 22 4.204 3.383 4.005 1.00 0.00 C ATOM 310 CG LEU A 22 4.090 2.896 2.560 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.948 1.902 2.420 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.894 4.073 1.615 1.00 0.00 C ATOM 0 H LEU A 22 6.442 2.241 4.430 1.00 0.00 H new ATOM 0 HA LEU A 22 5.635 4.955 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.098 2.523 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.365 4.048 4.210 1.00 0.00 H new ATOM 0 HG LEU A 22 5.018 2.391 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.882 1.567 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.130 1.045 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.012 2.381 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.815 3.708 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.981 4.606 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.745 4.749 1.694 1.00 0.00 H new ATOM 324 N GLU A 23 6.303 4.177 6.655 1.00 0.00 N ATOM 325 CA GLU A 23 6.326 4.612 8.047 1.00 0.00 C ATOM 326 C GLU A 23 6.179 6.128 8.145 1.00 0.00 C ATOM 327 O GLU A 23 5.259 6.648 8.777 1.00 0.00 O ATOM 328 CB GLU A 23 7.626 4.170 8.721 1.00 0.00 C ATOM 329 CG GLU A 23 7.511 2.846 9.457 1.00 0.00 C ATOM 330 CD GLU A 23 8.560 2.686 10.539 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.736 3.020 10.281 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.206 2.228 11.646 1.00 0.00 O ATOM 0 H GLU A 23 7.020 3.492 6.415 1.00 0.00 H new ATOM 0 HA GLU A 23 5.484 4.148 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.408 4.089 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.941 4.941 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.520 2.768 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.604 2.028 8.742 1.00 0.00 H new ATOM 339 N PRO A 24 7.107 6.855 7.506 1.00 0.00 N ATOM 340 CA PRO A 24 7.103 8.321 7.506 1.00 0.00 C ATOM 341 C PRO A 24 5.950 8.897 6.692 1.00 0.00 C ATOM 342 O PRO A 24 5.727 10.108 6.685 1.00 0.00 O ATOM 343 CB PRO A 24 8.444 8.679 6.861 1.00 0.00 C ATOM 344 CG PRO A 24 8.784 7.501 6.014 1.00 0.00 C ATOM 345 CD PRO A 24 8.232 6.302 6.733 1.00 0.00 C ATOM 0 HA PRO A 24 6.974 8.728 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.366 9.587 6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.210 8.859 7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.347 7.596 5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.862 7.414 5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.901 5.533 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.978 5.844 7.382 1.00 0.00 H new ATOM 353 N TRP A 25 5.220 8.024 6.008 1.00 0.00 N ATOM 354 CA TRP A 25 4.089 8.447 5.190 1.00 0.00 C ATOM 355 C TRP A 25 2.768 8.100 5.867 1.00 0.00 C ATOM 356 O TRP A 25 1.728 8.681 5.556 1.00 0.00 O ATOM 357 CB TRP A 25 4.157 7.791 3.810 1.00 0.00 C ATOM 358 CG TRP A 25 4.902 8.610 2.800 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.404 9.637 2.049 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.277 8.469 2.429 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.388 10.142 1.233 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.546 9.444 1.448 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.308 7.616 2.831 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.803 9.586 0.865 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.555 7.758 2.251 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.794 8.737 1.277 1.00 0.00 C ATOM 0 H TRP A 25 5.391 7.018 6.003 1.00 0.00 H new ATOM 0 HA TRP A 25 4.142 9.529 5.073 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.636 6.816 3.902 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.144 7.615 3.449 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.387 9.999 2.090 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.274 10.912 0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.134 6.859 3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.989 10.340 0.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.359 7.103 2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.779 8.823 0.843 1.00 0.00 H new ATOM 377 N PHE A 26 2.815 7.149 6.794 1.00 0.00 N ATOM 378 CA PHE A 26 1.621 6.723 7.515 1.00 0.00 C ATOM 379 C PHE A 26 1.868 6.717 9.021 1.00 0.00 C ATOM 380 O PHE A 26 1.026 7.161 9.802 1.00 0.00 O ATOM 381 CB PHE A 26 1.188 5.331 7.052 1.00 0.00 C ATOM 382 CG PHE A 26 0.489 5.331 5.723 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.499 6.262 5.445 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.819 4.401 4.751 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.144 6.266 4.223 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.178 4.400 3.526 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.806 5.333 3.263 1.00 0.00 C ATOM 0 H PHE A 26 3.668 6.658 7.064 1.00 0.00 H new ATOM 0 HA PHE A 26 0.824 7.434 7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.066 4.688 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.526 4.897 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.768 6.993 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.586 3.668 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.911 6.998 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.446 3.671 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.310 5.333 2.308 1.00 0.00 H new ATOM 397 N LYS A 27 3.029 6.210 9.422 1.00 0.00 N ATOM 398 CA LYS A 27 3.389 6.145 10.833 1.00 0.00 C ATOM 399 C LYS A 27 3.799 7.518 11.354 1.00 0.00 C ATOM 400 O LYS A 27 4.562 8.235 10.707 1.00 0.00 O ATOM 401 CB LYS A 27 4.530 5.146 11.044 1.00 0.00 C ATOM 402 CG LYS A 27 4.660 4.666 12.479 1.00 0.00 C ATOM 403 CD LYS A 27 5.960 3.910 12.697 1.00 0.00 C ATOM 404 CE LYS A 27 7.063 4.830 13.197 1.00 0.00 C ATOM 405 NZ LYS A 27 7.863 5.397 12.077 1.00 0.00 N ATOM 0 H LYS A 27 3.737 5.838 8.789 1.00 0.00 H new ATOM 0 HA LYS A 27 2.514 5.811 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.373 4.285 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.468 5.609 10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.617 5.520 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.817 4.021 12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.799 3.108 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.271 3.442 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.624 5.642 13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.720 4.278 13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.810 4.967 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.388 5.195 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.951 6.426 12.199 1.00 0.00 H new ATOM 419 N ALA A 28 3.288 7.878 12.527 1.00 0.00 N ATOM 420 CA ALA A 28 3.604 9.164 13.135 1.00 0.00 C ATOM 421 C ALA A 28 5.085 9.496 12.981 1.00 0.00 C ATOM 422 O ALA A 28 5.926 8.617 12.791 1.00 0.00 O ATOM 423 CB ALA A 28 3.213 9.163 14.606 1.00 0.00 C ATOM 0 H ALA A 28 2.653 7.297 13.075 1.00 0.00 H new ATOM 0 HA ALA A 28 3.030 9.933 12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.455 10.130 15.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.142 8.980 14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.761 8.379 15.128 1.00 0.00 H new ATOM 429 N PRO A 29 5.413 10.794 13.062 1.00 0.00 N ATOM 430 CA PRO A 29 4.420 11.849 13.287 1.00 0.00 C ATOM 431 C PRO A 29 3.510 12.054 12.081 1.00 0.00 C ATOM 432 O PRO A 29 2.573 12.850 12.128 1.00 0.00 O ATOM 433 CB PRO A 29 5.276 13.095 13.529 1.00 0.00 C ATOM 434 CG PRO A 29 6.560 12.815 12.828 1.00 0.00 C ATOM 435 CD PRO A 29 6.779 11.331 12.941 1.00 0.00 C ATOM 0 HA PRO A 29 3.749 11.609 14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.795 13.989 13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.435 13.265 14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.510 13.124 11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.382 13.367 13.284 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.292 10.932 12.066 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.388 11.079 13.809 1.00 0.00 H new ATOM 443 N ASN A 30 3.791 11.330 11.003 1.00 0.00 N ATOM 444 CA ASN A 30 2.996 11.433 9.784 1.00 0.00 C ATOM 445 C ASN A 30 1.698 10.642 9.913 1.00 0.00 C ATOM 446 O ASN A 30 1.644 9.623 10.601 1.00 0.00 O ATOM 447 CB ASN A 30 3.798 10.927 8.583 1.00 0.00 C ATOM 448 CG ASN A 30 4.604 12.028 7.922 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.370 12.373 6.763 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.560 12.585 8.656 1.00 0.00 N ATOM 0 H ASN A 30 4.563 10.666 10.948 1.00 0.00 H new ATOM 0 HA ASN A 30 2.747 12.483 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.470 10.133 8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.117 10.490 7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.135 13.330 8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.719 12.268 9.612 1.00 0.00 H new ATOM 457 N LYS A 31 0.653 11.118 9.244 1.00 0.00 N ATOM 458 CA LYS A 31 -0.645 10.455 9.281 1.00 0.00 C ATOM 459 C LYS A 31 -1.613 11.100 8.293 1.00 0.00 C ATOM 460 O LYS A 31 -1.326 12.153 7.726 1.00 0.00 O ATOM 461 CB LYS A 31 -1.230 10.511 10.694 1.00 0.00 C ATOM 462 CG LYS A 31 -1.121 11.880 11.344 1.00 0.00 C ATOM 463 CD LYS A 31 -2.221 12.099 12.370 1.00 0.00 C ATOM 464 CE LYS A 31 -3.499 12.604 11.718 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.487 13.075 12.727 1.00 0.00 N ATOM 0 H LYS A 31 0.680 11.961 8.670 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.501 9.413 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.279 10.219 10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.718 9.779 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.148 11.979 11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.178 12.653 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.423 11.164 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.885 12.817 13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.261 13.419 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.942 11.807 11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.989 13.908 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.172 12.317 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.992 13.329 13.606 1.00 0.00 H new ATOM 479 N GLY A 32 -2.762 10.460 8.094 1.00 0.00 N ATOM 480 CA GLY A 32 -3.754 10.987 7.176 1.00 0.00 C ATOM 481 C GLY A 32 -4.482 9.894 6.419 1.00 0.00 C ATOM 482 O GLY A 32 -4.563 8.755 6.881 1.00 0.00 O ATOM 0 H GLY A 32 -3.023 9.587 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.478 11.584 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.268 11.655 6.465 1.00 0.00 H new ATOM 486 N THR A 33 -5.016 10.239 5.251 1.00 0.00 N ATOM 487 CA THR A 33 -5.744 9.279 4.430 1.00 0.00 C ATOM 488 C THR A 33 -4.915 8.847 3.226 1.00 0.00 C ATOM 489 O THR A 33 -3.872 9.433 2.934 1.00 0.00 O ATOM 490 CB THR A 33 -7.081 9.862 3.937 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.881 11.188 3.432 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.106 9.891 5.060 1.00 0.00 C ATOM 0 H THR A 33 -4.958 11.176 4.853 1.00 0.00 H new ATOM 0 HA THR A 33 -5.945 8.412 5.059 1.00 0.00 H new ATOM 0 HB THR A 33 -7.458 9.223 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.568 11.390 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.042 10.307 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.278 8.877 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.734 10.510 5.877 1.00 0.00 H new ATOM 500 N PHE A 34 -5.386 7.819 2.528 1.00 0.00 N ATOM 501 CA PHE A 34 -4.688 7.308 1.354 1.00 0.00 C ATOM 502 C PHE A 34 -5.589 6.376 0.548 1.00 0.00 C ATOM 503 O PHE A 34 -6.675 6.008 0.995 1.00 0.00 O ATOM 504 CB PHE A 34 -3.416 6.569 1.773 1.00 0.00 C ATOM 505 CG PHE A 34 -3.660 5.472 2.770 1.00 0.00 C ATOM 506 CD1 PHE A 34 -3.999 5.772 4.080 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.550 4.142 2.398 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.224 4.765 5.000 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.775 3.132 3.313 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.111 3.444 4.616 1.00 0.00 C ATOM 0 H PHE A 34 -6.248 7.323 2.755 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.417 8.156 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.943 6.145 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.713 7.285 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.088 6.804 4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.285 3.892 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.488 5.012 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.688 2.099 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.285 2.656 5.333 1.00 0.00 H new ATOM 520 N GLN A 35 -5.130 6.001 -0.641 1.00 0.00 N ATOM 521 CA GLN A 35 -5.894 5.114 -1.510 1.00 0.00 C ATOM 522 C GLN A 35 -4.977 4.121 -2.217 1.00 0.00 C ATOM 523 O GLN A 35 -4.090 4.513 -2.975 1.00 0.00 O ATOM 524 CB GLN A 35 -6.678 5.927 -2.541 1.00 0.00 C ATOM 525 CG GLN A 35 -5.812 6.879 -3.351 1.00 0.00 C ATOM 526 CD GLN A 35 -6.592 7.603 -4.430 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.742 8.825 -4.390 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.095 6.852 -5.403 1.00 0.00 N ATOM 0 H GLN A 35 -4.233 6.298 -1.025 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.595 4.555 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.186 5.243 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.451 6.499 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.360 7.611 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.996 6.320 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.947 5.843 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.630 7.284 -6.156 1.00 0.00 H new ATOM 537 N ILE A 36 -5.198 2.836 -1.963 1.00 0.00 N ATOM 538 CA ILE A 36 -4.391 1.788 -2.577 1.00 0.00 C ATOM 539 C ILE A 36 -4.989 1.342 -3.907 1.00 0.00 C ATOM 540 O ILE A 36 -6.208 1.324 -4.078 1.00 0.00 O ATOM 541 CB ILE A 36 -4.260 0.564 -1.650 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.650 0.976 -0.309 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.415 -0.513 -2.313 1.00 0.00 C ATOM 544 CD1 ILE A 36 -4.017 0.051 0.831 1.00 0.00 C ATOM 0 H ILE A 36 -5.928 2.495 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.402 2.211 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.254 0.157 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.565 1.006 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.977 1.987 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.331 -1.371 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.886 -0.822 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.421 -0.118 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.550 0.404 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.100 0.039 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.666 -0.957 0.609 1.00 0.00 H new ATOM 556 N VAL A 37 -4.121 0.981 -4.848 1.00 0.00 N ATOM 557 CA VAL A 37 -4.563 0.532 -6.163 1.00 0.00 C ATOM 558 C VAL A 37 -3.634 -0.542 -6.717 1.00 0.00 C ATOM 559 O VAL A 37 -2.441 -0.307 -6.910 1.00 0.00 O ATOM 560 CB VAL A 37 -4.630 1.703 -7.162 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.052 1.207 -8.537 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.580 2.779 -6.659 1.00 0.00 C ATOM 0 H VAL A 37 -3.109 0.991 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.562 0.114 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.636 2.141 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.094 2.047 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.329 0.475 -8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.036 0.742 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.615 3.598 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.578 2.357 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.229 3.154 -5.698 1.00 0.00 H new ATOM 572 N TYR A 38 -4.189 -1.722 -6.971 1.00 0.00 N ATOM 573 CA TYR A 38 -3.410 -2.834 -7.502 1.00 0.00 C ATOM 574 C TYR A 38 -3.294 -2.743 -9.021 1.00 0.00 C ATOM 575 O TYR A 38 -4.270 -2.945 -9.744 1.00 0.00 O ATOM 576 CB TYR A 38 -4.050 -4.166 -7.108 1.00 0.00 C ATOM 577 CG TYR A 38 -3.300 -5.374 -7.622 1.00 0.00 C ATOM 578 CD1 TYR A 38 -3.574 -5.903 -8.878 1.00 0.00 C ATOM 579 CD2 TYR A 38 -2.319 -5.987 -6.853 1.00 0.00 C ATOM 580 CE1 TYR A 38 -2.892 -7.007 -9.352 1.00 0.00 C ATOM 581 CE2 TYR A 38 -1.631 -7.090 -7.320 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.921 -7.597 -8.569 1.00 0.00 C ATOM 583 OH TYR A 38 -1.239 -8.697 -9.037 1.00 0.00 O ATOM 0 H TYR A 38 -5.175 -1.933 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.408 -2.779 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.112 -4.222 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.072 -4.195 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.333 -5.443 -9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.090 -5.594 -5.873 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.118 -7.406 -10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.870 -7.553 -6.710 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.589 -8.990 -8.364 1.00 0.00 H new ATOM 593 N LYS A 39 -2.092 -2.437 -9.498 1.00 0.00 N ATOM 594 CA LYS A 39 -1.845 -2.320 -10.930 1.00 0.00 C ATOM 595 C LYS A 39 -0.951 -3.454 -11.423 1.00 0.00 C ATOM 596 O LYS A 39 0.214 -3.551 -11.038 1.00 0.00 O ATOM 597 CB LYS A 39 -1.196 -0.971 -11.248 1.00 0.00 C ATOM 598 CG LYS A 39 -2.120 0.215 -11.031 1.00 0.00 C ATOM 599 CD LYS A 39 -1.432 1.527 -11.369 1.00 0.00 C ATOM 600 CE LYS A 39 -2.441 2.616 -11.701 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.878 3.978 -11.487 1.00 0.00 N ATOM 0 H LYS A 39 -1.274 -2.266 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.804 -2.386 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.309 -0.848 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.860 -0.974 -12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.011 0.101 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.452 0.234 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.817 1.844 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.762 1.380 -12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.758 2.513 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.329 2.489 -11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.415 4.668 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.945 4.227 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.881 3.992 -11.781 1.00 0.00 H new ATOM 760 N GLU A 49 -6.518 -8.370 -4.470 1.00 0.00 N ATOM 761 CA GLU A 49 -7.171 -7.927 -3.243 1.00 0.00 C ATOM 762 C GLU A 49 -6.226 -8.044 -2.051 1.00 0.00 C ATOM 763 O GLU A 49 -6.048 -7.092 -1.291 1.00 0.00 O ATOM 764 CB GLU A 49 -8.436 -8.749 -2.987 1.00 0.00 C ATOM 765 CG GLU A 49 -8.208 -10.250 -3.039 1.00 0.00 C ATOM 766 CD GLU A 49 -9.500 -11.039 -2.962 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.103 -11.085 -1.869 1.00 0.00 O ATOM 768 OE2 GLU A 49 -9.909 -11.612 -3.994 1.00 0.00 O ATOM 0 HA GLU A 49 -7.445 -6.879 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.839 -8.485 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.190 -8.479 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.687 -10.503 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.558 -10.544 -2.215 1.00 0.00 H new ATOM 775 N GLU A 50 -5.622 -9.218 -1.894 1.00 0.00 N ATOM 776 CA GLU A 50 -4.697 -9.460 -0.794 1.00 0.00 C ATOM 777 C GLU A 50 -3.754 -8.275 -0.606 1.00 0.00 C ATOM 778 O GLU A 50 -3.698 -7.676 0.469 1.00 0.00 O ATOM 779 CB GLU A 50 -3.888 -10.734 -1.049 1.00 0.00 C ATOM 780 CG GLU A 50 -4.607 -12.005 -0.632 1.00 0.00 C ATOM 781 CD GLU A 50 -3.663 -13.179 -0.455 1.00 0.00 C ATOM 782 OE1 GLU A 50 -2.599 -13.187 -1.110 1.00 0.00 O ATOM 783 OE2 GLU A 50 -3.987 -14.088 0.337 1.00 0.00 O ATOM 0 H GLU A 50 -5.757 -10.016 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.281 -9.586 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.647 -10.795 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.943 -10.668 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.139 -11.827 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.357 -12.257 -1.382 1.00 0.00 H new ATOM 790 N VAL A 51 -3.014 -7.942 -1.658 1.00 0.00 N ATOM 791 CA VAL A 51 -2.073 -6.829 -1.611 1.00 0.00 C ATOM 792 C VAL A 51 -2.761 -5.548 -1.151 1.00 0.00 C ATOM 793 O VAL A 51 -2.287 -4.871 -0.238 1.00 0.00 O ATOM 794 CB VAL A 51 -1.423 -6.584 -2.985 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.589 -5.312 -2.963 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.575 -7.780 -3.393 1.00 0.00 C ATOM 0 H VAL A 51 -3.048 -8.427 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.298 -7.100 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.214 -6.458 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.138 -5.156 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.227 -4.463 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.196 -5.405 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.123 -7.590 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.210 -7.939 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.204 -8.669 -3.452 1.00 0.00 H new ATOM 806 N ILE A 52 -3.880 -5.222 -1.788 1.00 0.00 N ATOM 807 CA ILE A 52 -4.634 -4.023 -1.443 1.00 0.00 C ATOM 808 C ILE A 52 -5.074 -4.052 0.016 1.00 0.00 C ATOM 809 O ILE A 52 -4.526 -3.336 0.855 1.00 0.00 O ATOM 810 CB ILE A 52 -5.876 -3.862 -2.340 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.460 -3.737 -3.807 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.686 -2.649 -1.908 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.521 -4.207 -4.777 1.00 0.00 C ATOM 0 H ILE A 52 -4.285 -5.771 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.969 -3.174 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.501 -4.749 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.219 -2.696 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.550 -4.314 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.560 -2.548 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.008 -2.776 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.071 -1.753 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.158 -4.090 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.745 -5.257 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.425 -3.613 -4.643 1.00 0.00 H new ATOM 825 N ARG A 53 -6.066 -4.885 0.313 1.00 0.00 N ATOM 826 CA ARG A 53 -6.580 -5.008 1.672 1.00 0.00 C ATOM 827 C ARG A 53 -5.438 -5.071 2.681 1.00 0.00 C ATOM 828 O ARG A 53 -5.386 -4.282 3.624 1.00 0.00 O ATOM 829 CB ARG A 53 -7.456 -6.256 1.798 1.00 0.00 C ATOM 830 CG ARG A 53 -8.392 -6.464 0.618 1.00 0.00 C ATOM 831 CD ARG A 53 -9.689 -7.134 1.047 1.00 0.00 C ATOM 832 NE ARG A 53 -9.607 -8.589 0.964 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.365 -9.411 1.681 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.258 -8.922 2.531 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.232 -10.724 1.549 1.00 0.00 N ATOM 0 H ARG A 53 -6.530 -5.485 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.183 -4.126 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.814 -7.131 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.047 -6.185 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.614 -5.503 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.898 -7.076 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.927 -6.842 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.505 -6.780 0.417 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.930 -8.997 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.364 -7.913 2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.839 -9.555 3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.547 -11.104 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.815 -11.354 2.100 1.00 0.00 H new ATOM 849 N GLU A 54 -4.526 -6.016 2.476 1.00 0.00 N ATOM 850 CA GLU A 54 -3.385 -6.183 3.370 1.00 0.00 C ATOM 851 C GLU A 54 -2.647 -4.861 3.562 1.00 0.00 C ATOM 852 O GLU A 54 -2.477 -4.389 4.687 1.00 0.00 O ATOM 853 CB GLU A 54 -2.427 -7.240 2.818 1.00 0.00 C ATOM 854 CG GLU A 54 -1.173 -7.423 3.657 1.00 0.00 C ATOM 855 CD GLU A 54 -1.435 -8.191 4.938 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.564 -9.432 4.868 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.512 -7.553 6.008 1.00 0.00 O ATOM 0 H GLU A 54 -4.554 -6.677 1.700 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.760 -6.514 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.951 -8.193 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.138 -6.963 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.421 -7.950 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.759 -6.445 3.902 1.00 0.00 H new ATOM 864 N LEU A 55 -2.209 -4.269 2.456 1.00 0.00 N ATOM 865 CA LEU A 55 -1.488 -3.002 2.501 1.00 0.00 C ATOM 866 C LEU A 55 -2.200 -2.002 3.407 1.00 0.00 C ATOM 867 O LEU A 55 -1.560 -1.217 4.105 1.00 0.00 O ATOM 868 CB LEU A 55 -1.347 -2.422 1.093 1.00 0.00 C ATOM 869 CG LEU A 55 -0.096 -2.837 0.318 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.175 -2.353 -1.122 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.155 -2.298 0.996 1.00 0.00 C ATOM 0 H LEU A 55 -2.341 -4.646 1.517 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.495 -3.192 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.223 -2.713 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.360 -1.335 1.167 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.041 -3.926 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.724 -2.658 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.050 -2.788 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.255 -1.266 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.035 -2.603 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.108 -1.210 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.219 -2.694 2.009 1.00 0.00 H new ATOM 883 N ALA A 56 -3.528 -2.039 3.390 1.00 0.00 N ATOM 884 CA ALA A 56 -4.327 -1.139 4.213 1.00 0.00 C ATOM 885 C ALA A 56 -4.274 -1.545 5.681 1.00 0.00 C ATOM 886 O ALA A 56 -4.161 -0.698 6.566 1.00 0.00 O ATOM 887 CB ALA A 56 -5.767 -1.114 3.721 1.00 0.00 C ATOM 0 H ALA A 56 -4.073 -2.682 2.816 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.907 -0.137 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.353 -0.438 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.792 -0.768 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.189 -2.118 3.778 1.00 0.00 H new ATOM 893 N GLY A 57 -4.358 -2.848 5.934 1.00 0.00 N ATOM 894 CA GLY A 57 -4.319 -3.343 7.298 1.00 0.00 C ATOM 895 C GLY A 57 -3.015 -3.015 7.996 1.00 0.00 C ATOM 896 O GLY A 57 -2.962 -2.945 9.225 1.00 0.00 O ATOM 0 H GLY A 57 -4.452 -3.569 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.147 -2.913 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.463 -4.423 7.294 1.00 0.00 H new ATOM 900 N ILE A 58 -1.960 -2.815 7.213 1.00 0.00 N ATOM 901 CA ILE A 58 -0.650 -2.493 7.765 1.00 0.00 C ATOM 902 C ILE A 58 -0.549 -1.013 8.116 1.00 0.00 C ATOM 903 O ILE A 58 0.037 -0.643 9.133 1.00 0.00 O ATOM 904 CB ILE A 58 0.479 -2.854 6.782 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.402 -4.335 6.404 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.835 -2.527 7.389 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.038 -4.651 5.068 1.00 0.00 C ATOM 0 H ILE A 58 -1.987 -2.870 6.195 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.536 -3.087 8.672 1.00 0.00 H new ATOM 0 HB ILE A 58 0.355 -2.260 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.891 -4.925 7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.644 -4.642 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.623 -2.788 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.886 -1.461 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.969 -3.097 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.947 -5.718 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.534 -4.088 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.092 -4.375 5.093 1.00 0.00 H new ATOM 919 N VAL A 59 -1.128 -0.169 7.267 1.00 0.00 N ATOM 920 CA VAL A 59 -1.106 1.272 7.488 1.00 0.00 C ATOM 921 C VAL A 59 -1.714 1.630 8.840 1.00 0.00 C ATOM 922 O VAL A 59 -1.096 2.329 9.644 1.00 0.00 O ATOM 923 CB VAL A 59 -1.870 2.022 6.380 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.867 3.519 6.648 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.268 1.714 5.017 1.00 0.00 C ATOM 0 H VAL A 59 -1.618 -0.459 6.420 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.060 1.579 7.470 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.905 1.680 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.411 4.032 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.348 3.718 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.839 3.882 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.819 2.252 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.224 2.027 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.329 0.643 4.826 1.00 0.00 H new ATOM 935 N CYS A 60 -2.927 1.146 9.083 1.00 0.00 N ATOM 936 CA CYS A 60 -3.619 1.415 10.339 1.00 0.00 C ATOM 937 C CYS A 60 -2.778 0.969 11.530 1.00 0.00 C ATOM 938 O CYS A 60 -2.830 1.572 12.603 1.00 0.00 O ATOM 939 CB CYS A 60 -4.973 0.705 10.361 1.00 0.00 C ATOM 940 SG CYS A 60 -4.860 -1.097 10.451 1.00 0.00 S ATOM 0 H CYS A 60 -3.451 0.566 8.428 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.779 2.491 10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.546 1.065 11.215 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.530 0.979 9.465 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.779 -1.495 9.848 1.00 0.00 H new ATOM 946 N THR A 61 -2.003 -0.094 11.336 1.00 0.00 N ATOM 947 CA THR A 61 -1.153 -0.624 12.394 1.00 0.00 C ATOM 948 C THR A 61 -0.122 0.408 12.840 1.00 0.00 C ATOM 949 O THR A 61 0.231 0.479 14.017 1.00 0.00 O ATOM 950 CB THR A 61 -0.421 -1.901 11.941 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.372 -2.905 11.570 1.00 0.00 O ATOM 952 CG2 THR A 61 0.478 -2.431 13.047 1.00 0.00 C ATOM 0 H THR A 61 -1.947 -0.605 10.455 1.00 0.00 H new ATOM 0 HA THR A 61 -1.807 -0.867 13.232 1.00 0.00 H new ATOM 0 HB THR A 61 0.199 -1.652 11.080 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.780 -2.668 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.984 -3.333 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.219 -1.675 13.307 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.124 -2.665 13.925 1.00 0.00 H new ATOM 960 N LEU A 62 0.357 1.205 11.892 1.00 0.00 N ATOM 961 CA LEU A 62 1.348 2.235 12.187 1.00 0.00 C ATOM 962 C LEU A 62 0.747 3.337 13.051 1.00 0.00 C ATOM 963 O LEU A 62 1.112 3.496 14.215 1.00 0.00 O ATOM 964 CB LEU A 62 1.896 2.830 10.888 1.00 0.00 C ATOM 965 CG LEU A 62 2.459 1.831 9.877 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.530 2.456 8.492 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.833 1.345 10.315 1.00 0.00 C ATOM 0 H LEU A 62 0.076 1.158 10.913 1.00 0.00 H new ATOM 0 HA LEU A 62 2.165 1.771 12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.098 3.394 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.682 3.542 11.141 1.00 0.00 H new ATOM 0 HG LEU A 62 1.789 0.972 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.933 1.730 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.530 2.754 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.177 3.332 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.218 0.635 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.513 2.194 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.754 0.858 11.287 1.00 0.00 H new ATOM 979 N ASN A 63 -0.180 4.096 12.474 1.00 0.00 N ATOM 980 CA ASN A 63 -0.834 5.183 13.193 1.00 0.00 C ATOM 981 C ASN A 63 -2.352 5.063 13.098 1.00 0.00 C ATOM 982 O ASN A 63 -2.919 5.075 12.005 1.00 0.00 O ATOM 983 CB ASN A 63 -0.383 6.535 12.636 1.00 0.00 C ATOM 984 CG ASN A 63 -0.397 7.628 13.687 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.064 7.507 14.715 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.342 8.702 13.434 1.00 0.00 N ATOM 0 H ASN A 63 -0.495 3.978 11.511 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.547 5.115 14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.624 6.439 12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.035 6.820 11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.373 9.470 14.105 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.879 8.759 12.569 1.00 0.00 H new ATOM 993 N SER A 64 -3.004 4.946 14.250 1.00 0.00 N ATOM 994 CA SER A 64 -4.456 4.820 14.298 1.00 0.00 C ATOM 995 C SER A 64 -5.125 5.945 13.513 1.00 0.00 C ATOM 996 O SER A 64 -6.190 5.758 12.926 1.00 0.00 O ATOM 997 CB SER A 64 -4.943 4.835 15.748 1.00 0.00 C ATOM 998 OG SER A 64 -6.256 4.311 15.850 1.00 0.00 O ATOM 0 H SER A 64 -2.550 4.936 15.163 1.00 0.00 H new ATOM 0 HA SER A 64 -4.729 3.869 13.841 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.265 4.249 16.369 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.924 5.855 16.131 1.00 0.00 H new ATOM 0 HG SER A 64 -6.544 4.330 16.787 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.491 7.114 13.509 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.025 8.269 12.798 1.00 0.00 C ATOM 1006 C GLU A 65 -5.124 7.989 11.302 1.00 0.00 C ATOM 1007 O GLU A 65 -5.927 8.599 10.597 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.144 9.497 13.041 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.281 10.078 14.438 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.713 10.441 14.781 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.470 10.807 13.858 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -6.076 10.359 15.973 1.00 0.00 O ATOM 0 H GLU A 65 -3.608 7.285 13.990 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.026 8.467 13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.102 9.226 12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.397 10.266 12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.909 9.357 15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.655 10.966 14.521 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.302 7.061 10.823 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.296 6.699 9.411 1.00 0.00 C ATOM 1021 C ASN A 66 -5.607 6.027 9.015 1.00 0.00 C ATOM 1022 O ASN A 66 -6.070 5.102 9.684 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.120 5.768 9.106 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.796 6.333 9.584 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.594 7.548 9.592 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.888 5.452 9.985 1.00 0.00 N ATOM 0 H ASN A 66 -3.631 6.546 11.393 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.187 7.614 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.292 4.802 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.070 5.591 8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.022 5.772 10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.100 4.455 9.961 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.201 6.497 7.924 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.458 5.941 7.437 1.00 0.00 C ATOM 1035 C LYS A 67 -7.522 5.995 5.914 1.00 0.00 C ATOM 1036 O LYS A 67 -7.666 7.067 5.326 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.642 6.704 8.035 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.941 6.329 9.476 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.907 7.310 10.119 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.348 7.000 9.746 1.00 0.00 C ATOM 1041 NZ LYS A 67 -12.314 7.649 10.675 1.00 0.00 N ATOM 0 H LYS A 67 -5.832 7.262 7.360 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.511 4.898 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.439 7.774 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.528 6.517 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.364 5.325 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.013 6.304 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.795 7.275 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.659 8.324 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.540 7.338 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.502 5.921 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.285 7.413 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.148 7.307 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.185 8.681 10.645 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.417 4.831 5.280 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.466 4.746 3.825 1.00 0.00 C ATOM 1057 C VAL A 68 -8.816 5.212 3.293 1.00 0.00 C ATOM 1058 O VAL A 68 -9.859 4.663 3.649 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.203 3.308 3.338 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.134 2.329 4.036 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.359 3.221 1.828 1.00 0.00 C ATOM 0 H VAL A 68 -7.298 3.934 5.751 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.683 5.400 3.443 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.177 3.039 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.933 1.319 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.968 2.373 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.169 2.592 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.170 2.199 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.373 3.509 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.646 3.893 1.349 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.789 6.228 2.437 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.012 6.768 1.853 1.00 0.00 C ATOM 1073 C ASP A 69 -9.944 6.740 0.329 1.00 0.00 C ATOM 1074 O ASP A 69 -8.862 6.807 -0.257 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.246 8.199 2.339 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.714 8.576 2.342 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.213 9.025 1.288 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.364 8.422 3.396 1.00 0.00 O ATOM 0 H ASP A 69 -7.934 6.694 2.132 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.846 6.143 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.844 8.308 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.697 8.891 1.700 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.105 6.641 -0.308 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.178 6.603 -1.765 1.00 0.00 C ATOM 1085 C LEU A 70 -11.869 7.851 -2.307 1.00 0.00 C ATOM 1086 O LEU A 70 -12.098 7.973 -3.511 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.926 5.351 -2.225 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.402 4.020 -1.686 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.340 2.884 -2.065 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.997 3.750 -2.205 1.00 0.00 C ATOM 0 H LEU A 70 -12.009 6.586 0.161 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.161 6.574 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.972 5.450 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.898 5.315 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.360 4.082 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.951 1.944 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.328 3.072 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.415 2.821 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.640 2.798 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.013 3.709 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.330 4.549 -1.882 1.00 0.00 H new ATOM 1102 N THR A 71 -12.197 8.777 -1.412 1.00 0.00 N ATOM 1103 CA THR A 71 -12.860 10.015 -1.800 1.00 0.00 C ATOM 1104 C THR A 71 -11.939 11.215 -1.610 1.00 0.00 C ATOM 1105 O THR A 71 -11.687 11.970 -2.548 1.00 0.00 O ATOM 1106 CB THR A 71 -14.151 10.239 -0.990 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.027 9.117 -1.143 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.859 11.507 -1.441 1.00 0.00 C ATOM 0 H THR A 71 -12.014 8.693 -0.412 1.00 0.00 H new ATOM 0 HA THR A 71 -13.115 9.920 -2.856 1.00 0.00 H new ATOM 0 HB THR A 71 -13.880 10.347 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.844 9.267 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.768 11.644 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.200 12.363 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.117 11.424 -2.497 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.439 11.384 -0.390 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.545 12.493 -0.077 1.00 0.00 C ATOM 1118 C ASN A 72 -9.173 11.981 0.351 1.00 0.00 C ATOM 1119 O ASN A 72 -8.640 12.359 1.394 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.146 13.363 1.029 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.038 14.460 0.482 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.723 15.645 0.595 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.157 14.070 -0.116 1.00 0.00 N ATOM 0 H ASN A 72 -11.638 10.767 0.398 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.423 13.095 -0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.722 12.735 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.342 13.810 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.796 14.764 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.378 13.077 -0.187 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.586 11.101 -0.474 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.268 10.520 -0.202 1.00 0.00 C ATOM 1132 C PRO A 73 -6.145 11.542 -0.336 1.00 0.00 C ATOM 1133 O PRO A 73 -6.096 12.301 -1.304 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.132 9.434 -1.273 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.015 9.885 -2.385 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.164 10.606 -1.735 1.00 0.00 C ATOM 0 HA PRO A 73 -7.191 10.145 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.099 9.332 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.442 8.461 -0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.477 10.543 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.368 9.037 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.530 11.423 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.007 9.939 -1.556 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.245 11.557 0.642 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.122 12.487 0.633 1.00 0.00 C ATOM 1146 C GLN A 74 -2.888 11.845 0.007 1.00 0.00 C ATOM 1147 O GLN A 74 -2.062 12.527 -0.601 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.804 12.950 2.056 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.702 14.076 2.544 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.352 14.535 3.945 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.241 15.002 4.199 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -5.300 14.405 4.865 1.00 0.00 N ATOM 0 H GLN A 74 -5.272 10.936 1.451 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.404 13.351 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.897 12.102 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.766 13.280 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.624 14.920 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.740 13.743 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.207 14.013 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.122 14.697 5.826 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.769 10.531 0.159 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.635 9.797 -0.388 1.00 0.00 C ATOM 1163 C TYR A 75 -2.103 8.575 -1.172 1.00 0.00 C ATOM 1164 O TYR A 75 -2.774 7.695 -0.632 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.690 9.366 0.734 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.269 10.500 1.641 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.814 11.309 1.318 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.954 10.763 2.821 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.202 12.346 2.144 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.574 11.798 3.652 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.505 12.587 3.310 1.00 0.00 C ATOM 1172 OH TYR A 75 0.888 13.619 4.135 1.00 0.00 O ATOM 0 H TYR A 75 -3.445 9.952 0.657 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.101 10.460 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.177 8.596 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.199 8.914 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.362 11.124 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.798 10.147 3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.046 12.965 1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.118 11.989 4.565 1.00 0.00 H new ATOM 0 HH TYR A 75 0.293 13.654 4.913 1.00 0.00 H new ATOM 1182 N THR A 76 -1.744 8.527 -2.451 1.00 0.00 N ATOM 1183 CA THR A 76 -2.127 7.415 -3.312 1.00 0.00 C ATOM 1184 C THR A 76 -1.002 6.392 -3.422 1.00 0.00 C ATOM 1185 O THR A 76 0.027 6.651 -4.047 1.00 0.00 O ATOM 1186 CB THR A 76 -2.504 7.900 -4.724 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.522 8.904 -4.641 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.994 6.743 -5.581 1.00 0.00 C ATOM 0 H THR A 76 -1.188 9.246 -2.914 1.00 0.00 H new ATOM 0 HA THR A 76 -2.998 6.946 -2.853 1.00 0.00 H new ATOM 0 HB THR A 76 -1.614 8.323 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.755 9.209 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.254 7.110 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.206 5.994 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.873 6.294 -5.118 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.203 5.229 -2.811 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.205 4.166 -2.842 1.00 0.00 C ATOM 1198 C VAL A 77 -0.564 3.106 -3.877 1.00 0.00 C ATOM 1199 O VAL A 77 -1.406 2.243 -3.631 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.058 3.494 -1.464 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.912 4.274 -0.590 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.414 3.366 -0.787 1.00 0.00 C ATOM 0 H VAL A 77 -2.048 4.999 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 77 0.743 4.629 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 77 0.346 2.492 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.003 3.784 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.889 4.309 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.540 5.289 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.292 2.889 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.849 4.357 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.075 2.760 -1.407 1.00 0.00 H new ATOM 1212 N VAL A 78 0.082 3.177 -5.037 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.167 2.222 -6.110 1.00 0.00 C ATOM 1214 C VAL A 78 0.913 1.147 -6.151 1.00 0.00 C ATOM 1215 O VAL A 78 2.082 1.415 -5.874 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.231 2.923 -7.481 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.281 4.023 -7.470 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.133 3.480 -7.857 1.00 0.00 C ATOM 0 H VAL A 78 0.781 3.886 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.131 1.757 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.518 2.188 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.312 4.507 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.257 3.592 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.028 4.760 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.070 3.972 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.451 4.202 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.857 2.666 -7.909 1.00 0.00 H new ATOM 1228 N VAL A 79 0.513 -0.072 -6.498 1.00 0.00 N ATOM 1229 CA VAL A 79 1.447 -1.189 -6.577 1.00 0.00 C ATOM 1230 C VAL A 79 1.502 -1.761 -7.989 1.00 0.00 C ATOM 1231 O VAL A 79 0.605 -2.493 -8.408 1.00 0.00 O ATOM 1232 CB VAL A 79 1.063 -2.312 -5.595 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.268 -1.858 -4.158 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.375 -2.751 -5.824 1.00 0.00 C ATOM 0 H VAL A 79 -0.451 -0.311 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 79 2.429 -0.800 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 79 1.713 -3.168 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.992 -2.664 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.315 -1.597 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.644 -0.986 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.629 -3.545 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.043 -1.903 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.485 -3.120 -6.844 1.00 0.00 H new ATOM 1244 N GLU A 80 2.561 -1.423 -8.718 1.00 0.00 N ATOM 1245 CA GLU A 80 2.732 -1.903 -10.084 1.00 0.00 C ATOM 1246 C GLU A 80 3.506 -3.218 -10.106 1.00 0.00 C ATOM 1247 O GLU A 80 4.471 -3.394 -9.361 1.00 0.00 O ATOM 1248 CB GLU A 80 3.460 -0.856 -10.929 1.00 0.00 C ATOM 1249 CG GLU A 80 3.765 -1.320 -12.343 1.00 0.00 C ATOM 1250 CD GLU A 80 4.005 -0.165 -13.297 1.00 0.00 C ATOM 1251 OE1 GLU A 80 5.054 0.500 -13.173 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.142 0.072 -14.169 1.00 0.00 O ATOM 0 H GLU A 80 3.313 -0.819 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 80 1.743 -2.077 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.852 0.048 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.393 -0.587 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.645 -1.963 -12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.935 -1.923 -12.710 1.00 0.00 H new ATOM 1259 N ILE A 81 3.076 -4.137 -10.964 1.00 0.00 N ATOM 1260 CA ILE A 81 3.729 -5.434 -11.083 1.00 0.00 C ATOM 1261 C ILE A 81 4.555 -5.519 -12.362 1.00 0.00 C ATOM 1262 O ILE A 81 4.008 -5.578 -13.463 1.00 0.00 O ATOM 1263 CB ILE A 81 2.704 -6.584 -11.071 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.898 -6.563 -9.770 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.406 -7.922 -11.244 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.754 -6.650 -8.527 1.00 0.00 C ATOM 0 H ILE A 81 2.279 -4.007 -11.587 1.00 0.00 H new ATOM 0 HA ILE A 81 4.387 -5.535 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 81 2.016 -6.447 -11.905 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.309 -5.647 -9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.194 -7.395 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.668 -8.724 -11.233 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.940 -7.933 -12.194 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.114 -8.070 -10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.116 -6.630 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.324 -7.579 -8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.441 -5.804 -8.498 1.00 0.00 H new ATOM 1356 N CYS A 87 6.159 -2.701 -7.028 1.00 0.00 N ATOM 1357 CA CYS A 87 6.601 -1.311 -7.060 1.00 0.00 C ATOM 1358 C CYS A 87 5.573 -0.398 -6.398 1.00 0.00 C ATOM 1359 O CYS A 87 4.494 -0.162 -6.944 1.00 0.00 O ATOM 1360 CB CYS A 87 6.843 -0.864 -8.503 1.00 0.00 C ATOM 1361 SG CYS A 87 8.375 -1.498 -9.224 1.00 0.00 S ATOM 0 HA CYS A 87 7.536 -1.240 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.003 -1.188 -9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.862 0.225 -8.537 1.00 0.00 H new ATOM 0 HG CYS A 87 8.490 -1.068 -10.445 1.00 0.00 H new ATOM 1367 N LEU A 88 5.914 0.110 -5.219 1.00 0.00 N ATOM 1368 CA LEU A 88 5.020 0.996 -4.481 1.00 0.00 C ATOM 1369 C LEU A 88 5.331 2.458 -4.783 1.00 0.00 C ATOM 1370 O LEU A 88 6.423 2.944 -4.492 1.00 0.00 O ATOM 1371 CB LEU A 88 5.141 0.737 -2.978 1.00 0.00 C ATOM 1372 CG LEU A 88 4.388 -0.483 -2.445 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.240 -1.735 -2.574 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.976 -0.263 -0.996 1.00 0.00 C ATOM 0 H LEU A 88 6.802 -0.076 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 88 3.998 0.788 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.197 0.623 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.784 1.620 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 88 3.487 -0.619 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.687 -2.592 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.485 -1.902 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.159 -1.610 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.441 -1.141 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.864 -0.101 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.327 0.610 -0.931 1.00 0.00 H new ATOM 1386 N SER A 89 4.361 3.155 -5.367 1.00 0.00 N ATOM 1387 CA SER A 89 4.531 4.562 -5.710 1.00 0.00 C ATOM 1388 C SER A 89 3.566 5.436 -4.915 1.00 0.00 C ATOM 1389 O SER A 89 2.349 5.265 -4.991 1.00 0.00 O ATOM 1390 CB SER A 89 4.312 4.774 -7.209 1.00 0.00 C ATOM 1391 OG SER A 89 4.387 6.148 -7.547 1.00 0.00 O ATOM 0 H SER A 89 3.450 2.768 -5.612 1.00 0.00 H new ATOM 0 HA SER A 89 5.550 4.851 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.061 4.217 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.338 4.378 -7.497 1.00 0.00 H new ATOM 0 HG SER A 89 4.245 6.256 -8.511 1.00 0.00 H new ATOM 1397 N VAL A 90 4.118 6.373 -4.151 1.00 0.00 N ATOM 1398 CA VAL A 90 3.307 7.275 -3.341 1.00 0.00 C ATOM 1399 C VAL A 90 3.128 8.622 -4.033 1.00 0.00 C ATOM 1400 O VAL A 90 4.102 9.314 -4.330 1.00 0.00 O ATOM 1401 CB VAL A 90 3.936 7.503 -1.954 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.046 8.397 -1.104 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.188 6.173 -1.260 1.00 0.00 C ATOM 0 H VAL A 90 5.123 6.528 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 90 2.334 6.800 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 90 4.894 8.006 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.507 8.547 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.921 9.361 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.072 7.925 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.633 6.352 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.244 5.642 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.868 5.571 -1.863 1.00 0.00 H new ATOM 1413 N VAL A 91 1.876 8.989 -4.286 1.00 0.00 N ATOM 1414 CA VAL A 91 1.568 10.255 -4.941 1.00 0.00 C ATOM 1415 C VAL A 91 0.667 11.121 -4.068 1.00 0.00 C ATOM 1416 O VAL A 91 -0.496 10.789 -3.835 1.00 0.00 O ATOM 1417 CB VAL A 91 0.882 10.030 -6.302 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.504 11.360 -6.936 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.785 9.227 -7.227 1.00 0.00 C ATOM 0 H VAL A 91 1.058 8.428 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 91 2.517 10.768 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.032 9.460 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.021 11.181 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.182 11.895 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.402 11.959 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.285 9.077 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.717 9.769 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.000 8.259 -6.775 1.00 0.00 H new ATOM 1429 N LYS A 92 1.211 12.233 -3.586 1.00 0.00 N ATOM 1430 CA LYS A 92 0.458 13.150 -2.739 1.00 0.00 C ATOM 1431 C LYS A 92 -0.430 14.062 -3.579 1.00 0.00 C ATOM 1432 O LYS A 92 0.061 14.935 -4.294 1.00 0.00 O ATOM 1433 CB LYS A 92 1.411 13.991 -1.888 1.00 0.00 C ATOM 1434 CG LYS A 92 0.732 14.689 -0.722 1.00 0.00 C ATOM 1435 CD LYS A 92 1.746 15.239 0.266 1.00 0.00 C ATOM 1436 CE LYS A 92 2.153 16.662 -0.088 1.00 0.00 C ATOM 1437 NZ LYS A 92 3.223 16.691 -1.123 1.00 0.00 N ATOM 0 H LYS A 92 2.172 12.521 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.178 12.557 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.204 13.349 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.886 14.740 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.109 15.502 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.070 13.988 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.324 15.219 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.628 14.599 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.283 17.209 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.501 17.174 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.771 17.570 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.854 15.874 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.792 16.649 -2.069 1.00 0.00 H new