USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.6!) USER MOD Single : A 280 MET CE :methyl -114:sc= -6.84! (180deg=-12.9!) USER MOD Single : A 285 SER OG : rot 180:sc= 0.155 USER MOD Single : A 286 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00378) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -3.108 -1.416 -2.344 1.00 0.00 N ATOM 161 CA ILE A 276 -1.804 -0.768 -2.032 1.00 0.00 C ATOM 162 C ILE A 276 -0.878 -1.757 -1.318 1.00 0.00 C ATOM 163 O ILE A 276 0.199 -2.064 -1.789 1.00 0.00 O ATOM 164 CB ILE A 276 -2.156 0.401 -1.112 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.873 1.485 -1.920 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.876 0.980 -0.508 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.440 2.540 -0.969 1.00 0.00 C ATOM 0 HA ILE A 276 -1.280 -0.438 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.808 0.050 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.180 1.948 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.676 1.043 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.128 1.813 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.363 0.208 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.223 1.331 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.951 3.312 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.147 2.071 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.627 2.990 -0.399 1.00 0.00 H new ATOM 179 N ARG A 277 -1.293 -2.255 -0.185 1.00 0.00 N ATOM 180 CA ARG A 277 -0.446 -3.226 0.569 1.00 0.00 C ATOM 181 C ARG A 277 0.232 -4.207 -0.391 1.00 0.00 C ATOM 182 O ARG A 277 1.442 -4.295 -0.448 1.00 0.00 O ATOM 183 CB ARG A 277 -1.419 -3.966 1.487 1.00 0.00 C ATOM 184 CG ARG A 277 -1.091 -3.642 2.945 1.00 0.00 C ATOM 185 CD ARG A 277 -2.331 -3.876 3.811 1.00 0.00 C ATOM 186 NE ARG A 277 -2.711 -2.524 4.308 1.00 0.00 N ATOM 187 CZ ARG A 277 -3.657 -2.394 5.200 1.00 0.00 C ATOM 188 NH1 ARG A 277 -4.275 -3.449 5.661 1.00 0.00 N ATOM 189 NH2 ARG A 277 -3.985 -1.208 5.632 1.00 0.00 N ATOM 0 H ARG A 277 -2.186 -2.031 0.254 1.00 0.00 H new ATOM 0 HA ARG A 277 0.350 -2.730 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.444 -3.673 1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -1.350 -5.041 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -0.269 -4.268 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -0.763 -2.606 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.138 -4.326 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.114 -4.554 4.636 1.00 0.00 H new ATOM 0 HE ARG A 277 -2.231 -1.698 3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -4.019 -4.377 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -5.013 -3.344 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -3.503 -0.383 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -4.723 -1.105 6.328 1.00 0.00 H new ATOM 203 N LYS A 278 -0.541 -4.947 -1.141 1.00 0.00 N ATOM 204 CA LYS A 278 0.048 -5.929 -2.097 1.00 0.00 C ATOM 205 C LYS A 278 1.309 -5.355 -2.753 1.00 0.00 C ATOM 206 O LYS A 278 2.351 -5.980 -2.770 1.00 0.00 O ATOM 207 CB LYS A 278 -1.042 -6.158 -3.145 1.00 0.00 C ATOM 208 CG LYS A 278 -1.024 -7.621 -3.593 1.00 0.00 C ATOM 209 CD LYS A 278 -1.589 -7.726 -5.011 1.00 0.00 C ATOM 210 CE LYS A 278 -2.368 -9.035 -5.157 1.00 0.00 C ATOM 211 NZ LYS A 278 -1.970 -9.573 -6.487 1.00 0.00 N ATOM 0 H LYS A 278 -1.560 -4.913 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 278 0.346 -6.853 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.018 -5.906 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.881 -5.503 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.006 -8.008 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -1.615 -8.230 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -2.242 -6.878 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -0.779 -7.690 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -2.119 -9.734 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -3.443 -8.862 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -2.464 -10.472 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -2.225 -8.890 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -0.943 -9.734 -6.503 1.00 0.00 H new ATOM 225 N GLN A 279 1.219 -4.173 -3.296 1.00 0.00 N ATOM 226 CA GLN A 279 2.402 -3.561 -3.953 1.00 0.00 C ATOM 227 C GLN A 279 3.498 -3.255 -2.925 1.00 0.00 C ATOM 228 O GLN A 279 4.610 -3.738 -3.026 1.00 0.00 O ATOM 229 CB GLN A 279 1.879 -2.267 -4.578 1.00 0.00 C ATOM 230 CG GLN A 279 2.400 -2.144 -6.011 1.00 0.00 C ATOM 231 CD GLN A 279 1.257 -2.407 -6.994 1.00 0.00 C ATOM 232 OE1 GLN A 279 0.120 -2.563 -6.595 1.00 0.00 O ATOM 233 NE2 GLN A 279 1.513 -2.463 -8.272 1.00 0.00 N ATOM 0 H GLN A 279 0.373 -3.604 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 279 2.847 -4.227 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 279 0.789 -2.264 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 279 2.202 -1.409 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.813 -1.149 -6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 279 3.208 -2.856 -6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 279 2.467 -2.332 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 279 0.759 -2.638 -8.936 1.00 0.00 H new ATOM 242 N MET A 280 3.197 -2.448 -1.944 1.00 0.00 N ATOM 243 CA MET A 280 4.225 -2.101 -0.918 1.00 0.00 C ATOM 244 C MET A 280 4.664 -3.348 -0.143 1.00 0.00 C ATOM 245 O MET A 280 5.720 -3.373 0.456 1.00 0.00 O ATOM 246 CB MET A 280 3.537 -1.097 0.010 1.00 0.00 C ATOM 247 CG MET A 280 2.453 -1.803 0.825 1.00 0.00 C ATOM 248 SD MET A 280 2.704 -1.464 2.585 1.00 0.00 S ATOM 249 CE MET A 280 1.406 -0.215 2.764 1.00 0.00 C ATOM 0 H MET A 280 2.284 -2.013 -1.808 1.00 0.00 H new ATOM 0 HA MET A 280 5.127 -1.688 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 280 4.270 -0.644 0.678 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.097 -0.290 -0.575 1.00 0.00 H new ATOM 0 HG2 MET A 280 1.467 -1.458 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.487 -2.877 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 280 1.859 0.751 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 280 0.838 -0.144 1.836 1.00 0.00 H new ATOM 0 HE3 MET A 280 0.738 -0.499 3.577 1.00 0.00 H new ATOM 259 N ASP A 281 3.871 -4.384 -0.152 1.00 0.00 N ATOM 260 CA ASP A 281 4.261 -5.622 0.585 1.00 0.00 C ATOM 261 C ASP A 281 5.368 -6.353 -0.177 1.00 0.00 C ATOM 262 O ASP A 281 6.483 -6.480 0.292 1.00 0.00 O ATOM 263 CB ASP A 281 2.994 -6.475 0.635 1.00 0.00 C ATOM 264 CG ASP A 281 3.094 -7.472 1.790 1.00 0.00 C ATOM 265 OD1 ASP A 281 3.889 -8.392 1.686 1.00 0.00 O ATOM 266 OD2 ASP A 281 2.374 -7.300 2.760 1.00 0.00 O ATOM 0 H ASP A 281 2.974 -4.428 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 281 4.643 -5.407 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 281 2.119 -5.838 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 281 2.864 -7.007 -0.308 1.00 0.00 H new ATOM 271 N ALA A 282 5.064 -6.837 -1.349 1.00 0.00 N ATOM 272 CA ALA A 282 6.088 -7.561 -2.147 1.00 0.00 C ATOM 273 C ALA A 282 7.397 -6.768 -2.177 1.00 0.00 C ATOM 274 O ALA A 282 8.464 -7.308 -1.971 1.00 0.00 O ATOM 275 CB ALA A 282 5.492 -7.665 -3.552 1.00 0.00 C ATOM 0 H ALA A 282 4.147 -6.761 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 282 6.321 -8.540 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 282 6.190 -8.189 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 282 4.552 -8.215 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 282 5.309 -6.665 -3.945 1.00 0.00 H new ATOM 281 N ALA A 283 7.326 -5.491 -2.436 1.00 0.00 N ATOM 282 CA ALA A 283 8.570 -4.669 -2.483 1.00 0.00 C ATOM 283 C ALA A 283 9.098 -4.414 -1.068 1.00 0.00 C ATOM 284 O ALA A 283 10.258 -4.108 -0.874 1.00 0.00 O ATOM 285 CB ALA A 283 8.150 -3.354 -3.140 1.00 0.00 C ATOM 0 H ALA A 283 6.461 -4.981 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 283 9.369 -5.166 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 283 9.012 -2.691 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 283 7.762 -3.554 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 283 7.376 -2.878 -2.539 1.00 0.00 H new ATOM 291 N ALA A 284 8.256 -4.531 -0.079 1.00 0.00 N ATOM 292 CA ALA A 284 8.712 -4.287 1.321 1.00 0.00 C ATOM 293 C ALA A 284 9.650 -5.403 1.793 1.00 0.00 C ATOM 294 O ALA A 284 10.835 -5.199 1.965 1.00 0.00 O ATOM 295 CB ALA A 284 7.432 -4.280 2.158 1.00 0.00 C ATOM 0 H ALA A 284 7.273 -4.785 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 284 9.269 -3.354 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 284 7.682 -4.106 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 284 6.772 -3.488 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 284 6.928 -5.242 2.061 1.00 0.00 H new ATOM 301 N SER A 285 9.125 -6.576 2.017 1.00 0.00 N ATOM 302 CA SER A 285 9.981 -7.700 2.496 1.00 0.00 C ATOM 303 C SER A 285 10.646 -8.424 1.321 1.00 0.00 C ATOM 304 O SER A 285 10.686 -9.637 1.274 1.00 0.00 O ATOM 305 CB SER A 285 9.024 -8.640 3.227 1.00 0.00 C ATOM 306 OG SER A 285 7.723 -8.513 2.668 1.00 0.00 O ATOM 0 H SER A 285 8.139 -6.806 1.889 1.00 0.00 H new ATOM 0 HA SER A 285 10.788 -7.348 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 285 9.371 -9.670 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 285 9.001 -8.400 4.290 1.00 0.00 H new ATOM 0 HG SER A 285 7.107 -9.116 3.134 1.00 0.00 H new ATOM 312 N LYS A 286 11.170 -7.697 0.373 1.00 0.00 N ATOM 313 CA LYS A 286 11.828 -8.360 -0.787 1.00 0.00 C ATOM 314 C LYS A 286 13.219 -7.769 -1.039 1.00 0.00 C ATOM 315 O LYS A 286 14.040 -8.360 -1.711 1.00 0.00 O ATOM 316 CB LYS A 286 10.906 -8.093 -1.976 1.00 0.00 C ATOM 317 CG LYS A 286 11.637 -8.430 -3.278 1.00 0.00 C ATOM 318 CD LYS A 286 10.737 -9.298 -4.159 1.00 0.00 C ATOM 319 CE LYS A 286 11.405 -10.655 -4.390 1.00 0.00 C ATOM 320 NZ LYS A 286 12.419 -10.407 -5.452 1.00 0.00 N ATOM 0 H LYS A 286 11.171 -6.677 0.351 1.00 0.00 H new ATOM 0 HA LYS A 286 11.974 -9.426 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 286 10.001 -8.694 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 286 10.596 -7.048 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 286 11.905 -7.514 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 286 12.567 -8.956 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 286 9.766 -9.435 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 286 10.557 -8.802 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 286 11.871 -11.026 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 286 10.679 -11.404 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 12.897 -11.299 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 11.949 -10.029 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 13.120 -9.720 -5.109 1.00 0.00 H new ATOM 334 N GLY A 287 13.493 -6.609 -0.511 1.00 0.00 N ATOM 335 CA GLY A 287 14.832 -5.991 -0.731 1.00 0.00 C ATOM 336 C GLY A 287 14.650 -4.577 -1.279 1.00 0.00 C ATOM 337 O GLY A 287 15.249 -3.634 -0.800 1.00 0.00 O ATOM 0 H GLY A 287 12.850 -6.063 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 287 15.390 -5.962 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 287 15.413 -6.593 -1.430 1.00 0.00 H new ATOM 341 N ASP A 288 13.820 -4.419 -2.273 1.00 0.00 N ATOM 342 CA ASP A 288 13.592 -3.062 -2.841 1.00 0.00 C ATOM 343 C ASP A 288 12.628 -2.293 -1.940 1.00 0.00 C ATOM 344 O ASP A 288 11.591 -1.828 -2.369 1.00 0.00 O ATOM 345 CB ASP A 288 12.971 -3.303 -4.217 1.00 0.00 C ATOM 346 CG ASP A 288 13.993 -2.968 -5.305 1.00 0.00 C ATOM 347 OD1 ASP A 288 14.902 -2.206 -5.021 1.00 0.00 O ATOM 348 OD2 ASP A 288 13.850 -3.480 -6.403 1.00 0.00 O ATOM 0 H ASP A 288 13.291 -5.170 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 288 14.508 -2.476 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 288 12.655 -4.342 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 288 12.080 -2.687 -4.338 1.00 0.00 H new ATOM 353 N VAL A 289 12.965 -2.167 -0.687 1.00 0.00 N ATOM 354 CA VAL A 289 12.075 -1.439 0.261 1.00 0.00 C ATOM 355 C VAL A 289 11.877 0.008 -0.199 1.00 0.00 C ATOM 356 O VAL A 289 11.012 0.709 0.287 1.00 0.00 O ATOM 357 CB VAL A 289 12.803 -1.490 1.604 1.00 0.00 C ATOM 358 CG1 VAL A 289 11.847 -1.067 2.720 1.00 0.00 C ATOM 359 CG2 VAL A 289 13.285 -2.919 1.868 1.00 0.00 C ATOM 0 H VAL A 289 13.822 -2.538 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 289 11.082 -1.884 0.322 1.00 0.00 H new ATOM 0 HB VAL A 289 13.657 -0.813 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 289 12.367 -1.104 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.498 -0.051 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 289 10.994 -1.745 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.804 -2.957 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 289 12.429 -3.593 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 289 13.965 -3.226 1.074 1.00 0.00 H new ATOM 369 N GLU A 290 12.666 0.461 -1.136 1.00 0.00 N ATOM 370 CA GLU A 290 12.509 1.856 -1.626 1.00 0.00 C ATOM 371 C GLU A 290 11.026 2.161 -1.834 1.00 0.00 C ATOM 372 O GLU A 290 10.434 2.948 -1.123 1.00 0.00 O ATOM 373 CB GLU A 290 13.257 1.887 -2.958 1.00 0.00 C ATOM 374 CG GLU A 290 13.497 3.338 -3.380 1.00 0.00 C ATOM 375 CD GLU A 290 14.482 3.995 -2.413 1.00 0.00 C ATOM 376 OE1 GLU A 290 15.498 3.384 -2.126 1.00 0.00 O ATOM 377 OE2 GLU A 290 14.204 5.099 -1.975 1.00 0.00 O ATOM 0 H GLU A 290 13.411 -0.075 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 290 12.896 2.597 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 290 14.208 1.363 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 290 12.680 1.366 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 290 13.891 3.372 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 290 12.555 3.887 -3.385 1.00 0.00 H new ATOM 384 N THR A 291 10.422 1.533 -2.804 1.00 0.00 N ATOM 385 CA THR A 291 8.977 1.770 -3.062 1.00 0.00 C ATOM 386 C THR A 291 8.177 1.572 -1.772 1.00 0.00 C ATOM 387 O THR A 291 7.285 2.335 -1.458 1.00 0.00 O ATOM 388 CB THR A 291 8.586 0.720 -4.104 1.00 0.00 C ATOM 389 OG1 THR A 291 9.182 1.049 -5.351 1.00 0.00 O ATOM 390 CG2 THR A 291 7.065 0.689 -4.255 1.00 0.00 C ATOM 0 H THR A 291 10.870 0.864 -3.430 1.00 0.00 H new ATOM 0 HA THR A 291 8.776 2.783 -3.410 1.00 0.00 H new ATOM 0 HB THR A 291 8.935 -0.261 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.934 0.377 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 291 6.788 -0.059 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 291 6.609 0.436 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.711 1.668 -4.578 1.00 0.00 H new ATOM 398 N TYR A 292 8.493 0.550 -1.022 1.00 0.00 N ATOM 399 CA TYR A 292 7.756 0.298 0.249 1.00 0.00 C ATOM 400 C TYR A 292 7.790 1.548 1.132 1.00 0.00 C ATOM 401 O TYR A 292 6.766 2.121 1.449 1.00 0.00 O ATOM 402 CB TYR A 292 8.507 -0.855 0.917 1.00 0.00 C ATOM 403 CG TYR A 292 7.889 -1.155 2.261 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.536 -0.878 2.490 1.00 0.00 C ATOM 405 CD2 TYR A 292 8.671 -1.712 3.280 1.00 0.00 C ATOM 406 CE1 TYR A 292 5.966 -1.159 3.737 1.00 0.00 C ATOM 407 CE2 TYR A 292 8.101 -1.993 4.527 1.00 0.00 C ATOM 408 CZ TYR A 292 6.748 -1.716 4.756 1.00 0.00 C ATOM 409 OH TYR A 292 6.185 -1.993 5.985 1.00 0.00 O ATOM 0 H TYR A 292 9.231 -0.121 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 292 6.706 0.057 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.470 -1.741 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.558 -0.594 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.932 -0.448 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 292 9.715 -1.925 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 292 4.922 -0.946 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 292 8.705 -2.423 5.312 1.00 0.00 H new ATOM 0 HH TYR A 292 6.865 -2.377 6.577 1.00 0.00 H new ATOM 419 N ARG A 293 8.958 1.975 1.531 1.00 0.00 N ATOM 420 CA ARG A 293 9.054 3.188 2.390 1.00 0.00 C ATOM 421 C ARG A 293 8.104 4.271 1.873 1.00 0.00 C ATOM 422 O ARG A 293 7.186 4.683 2.556 1.00 0.00 O ATOM 423 CB ARG A 293 10.508 3.645 2.270 1.00 0.00 C ATOM 424 CG ARG A 293 11.297 3.164 3.490 1.00 0.00 C ATOM 425 CD ARG A 293 12.515 4.066 3.701 1.00 0.00 C ATOM 426 NE ARG A 293 12.335 4.644 5.062 1.00 0.00 N ATOM 427 CZ ARG A 293 13.354 5.163 5.694 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.535 5.177 5.137 1.00 0.00 N ATOM 429 NH2 ARG A 293 13.191 5.669 6.886 1.00 0.00 N ATOM 0 H ARG A 293 9.849 1.536 1.299 1.00 0.00 H new ATOM 0 HA ARG A 293 8.777 2.988 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.951 3.247 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.554 4.732 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.662 3.180 4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 293 11.617 2.132 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 293 13.443 3.498 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.563 4.848 2.943 1.00 0.00 H new ATOM 0 HE ARG A 293 11.415 4.635 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 293 14.664 4.782 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 293 15.328 5.583 5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 293 12.269 5.659 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 293 13.985 6.075 7.381 1.00 0.00 H new ATOM 443 N LYS A 294 8.315 4.732 0.670 1.00 0.00 N ATOM 444 CA LYS A 294 7.424 5.783 0.108 1.00 0.00 C ATOM 445 C LYS A 294 5.964 5.461 0.433 1.00 0.00 C ATOM 446 O LYS A 294 5.331 6.131 1.225 1.00 0.00 O ATOM 447 CB LYS A 294 7.663 5.737 -1.402 1.00 0.00 C ATOM 448 CG LYS A 294 7.028 6.964 -2.059 1.00 0.00 C ATOM 449 CD LYS A 294 7.209 6.881 -3.575 1.00 0.00 C ATOM 450 CE LYS A 294 5.955 6.274 -4.207 1.00 0.00 C ATOM 451 NZ LYS A 294 6.190 6.351 -5.676 1.00 0.00 N ATOM 0 H LYS A 294 9.067 4.425 0.053 1.00 0.00 H new ATOM 0 HA LYS A 294 7.632 6.770 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 294 8.733 5.713 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.236 4.826 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.968 7.015 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 294 7.489 7.874 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 294 7.391 7.874 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.081 6.272 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.809 5.243 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 294 5.061 6.827 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 5.372 5.953 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 6.319 7.344 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 7.044 5.809 -5.920 1.00 0.00 H new ATOM 465 N LEU A 295 5.424 4.435 -0.170 1.00 0.00 N ATOM 466 CA LEU A 295 4.009 4.070 0.111 1.00 0.00 C ATOM 467 C LEU A 295 3.745 4.145 1.615 1.00 0.00 C ATOM 468 O LEU A 295 2.766 4.713 2.056 1.00 0.00 O ATOM 469 CB LEU A 295 3.861 2.633 -0.391 1.00 0.00 C ATOM 470 CG LEU A 295 2.380 2.319 -0.609 1.00 0.00 C ATOM 471 CD1 LEU A 295 2.208 1.548 -1.919 1.00 0.00 C ATOM 472 CD2 LEU A 295 1.864 1.467 0.553 1.00 0.00 C ATOM 0 H LEU A 295 5.902 3.836 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 295 3.300 4.741 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.412 2.503 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 295 4.289 1.938 0.332 1.00 0.00 H new ATOM 0 HG LEU A 295 1.815 3.250 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.152 1.325 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 295 2.576 2.152 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 295 2.773 0.617 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 295 0.809 1.242 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 295 2.430 0.537 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 295 1.986 2.014 1.488 1.00 0.00 H new ATOM 484 N LYS A 296 4.616 3.577 2.406 1.00 0.00 N ATOM 485 CA LYS A 296 4.424 3.617 3.881 1.00 0.00 C ATOM 486 C LYS A 296 3.959 5.010 4.309 1.00 0.00 C ATOM 487 O LYS A 296 2.841 5.194 4.748 1.00 0.00 O ATOM 488 CB LYS A 296 5.802 3.307 4.468 1.00 0.00 C ATOM 489 CG LYS A 296 5.644 2.422 5.705 1.00 0.00 C ATOM 490 CD LYS A 296 6.893 2.540 6.581 1.00 0.00 C ATOM 491 CE LYS A 296 7.953 1.549 6.098 1.00 0.00 C ATOM 492 NZ LYS A 296 8.396 0.830 7.325 1.00 0.00 N ATOM 0 H LYS A 296 5.453 3.087 2.091 1.00 0.00 H new ATOM 0 HA LYS A 296 3.669 2.909 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.420 2.804 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.312 4.233 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 296 4.761 2.722 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 296 5.493 1.385 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 296 7.285 3.556 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 296 6.640 2.339 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 296 7.541 0.858 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 296 8.786 2.064 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 9.125 0.132 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 8.790 1.512 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.583 0.343 7.755 1.00 0.00 H new ATOM 506 N ALA A 297 4.806 5.994 4.179 1.00 0.00 N ATOM 507 CA ALA A 297 4.410 7.373 4.573 1.00 0.00 C ATOM 508 C ALA A 297 3.019 7.692 4.020 1.00 0.00 C ATOM 509 O ALA A 297 2.103 8.004 4.755 1.00 0.00 O ATOM 510 CB ALA A 297 5.463 8.284 3.942 1.00 0.00 C ATOM 0 H ALA A 297 5.755 5.901 3.817 1.00 0.00 H new ATOM 0 HA ALA A 297 4.362 7.500 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.240 9.322 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.448 8.023 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.452 8.157 2.859 1.00 0.00 H new ATOM 516 N LYS A 298 2.856 7.615 2.727 1.00 0.00 N ATOM 517 CA LYS A 298 1.529 7.911 2.124 1.00 0.00 C ATOM 518 C LYS A 298 0.433 7.121 2.844 1.00 0.00 C ATOM 519 O LYS A 298 -0.531 7.677 3.329 1.00 0.00 O ATOM 520 CB LYS A 298 1.647 7.460 0.667 1.00 0.00 C ATOM 521 CG LYS A 298 2.235 8.596 -0.173 1.00 0.00 C ATOM 522 CD LYS A 298 2.464 8.107 -1.604 1.00 0.00 C ATOM 523 CE LYS A 298 1.158 8.207 -2.394 1.00 0.00 C ATOM 524 NZ LYS A 298 0.796 6.799 -2.718 1.00 0.00 N ATOM 0 H LYS A 298 3.587 7.359 2.063 1.00 0.00 H new ATOM 0 HA LYS A 298 1.264 8.965 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.282 6.577 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.667 7.178 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 298 1.558 9.450 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.175 8.935 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.238 8.705 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.818 7.076 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 298 0.377 8.690 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.289 8.800 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -0.091 6.785 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.555 6.367 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.671 6.261 -1.837 1.00 0.00 H new ATOM 538 N LEU A 299 0.575 5.825 2.917 1.00 0.00 N ATOM 539 CA LEU A 299 -0.454 4.996 3.604 1.00 0.00 C ATOM 540 C LEU A 299 -0.888 5.662 4.913 1.00 0.00 C ATOM 541 O LEU A 299 -2.049 5.656 5.269 1.00 0.00 O ATOM 542 CB LEU A 299 0.239 3.662 3.885 1.00 0.00 C ATOM 543 CG LEU A 299 -0.805 2.546 3.965 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.810 2.862 5.074 1.00 0.00 C ATOM 545 CD2 LEU A 299 -1.540 2.439 2.627 1.00 0.00 C ATOM 0 H LEU A 299 1.362 5.304 2.529 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.353 4.871 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.960 3.443 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 299 0.796 3.720 4.820 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.308 1.601 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.553 2.066 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.288 2.938 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -2.307 3.807 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -2.284 1.644 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -2.035 3.385 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -0.825 2.212 1.836 1.00 0.00 H new