USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=6 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 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl -173:sc= -0.415 (180deg=-0.571) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 159:sc=-0.000751 (180deg=-0.105) 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+ -138:sc= -0.23 (180deg=-1.59!) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -2.991 -1.951 -1.438 1.00 0.00 N ATOM 161 CA ILE A 276 -1.698 -1.250 -1.212 1.00 0.00 C ATOM 162 C ILE A 276 -0.778 -2.115 -0.348 1.00 0.00 C ATOM 163 O ILE A 276 0.397 -2.256 -0.624 1.00 0.00 O ATOM 164 CB ILE A 276 -2.068 0.042 -0.482 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.766 0.994 -1.457 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.799 0.706 0.056 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.922 1.698 -0.744 1.00 0.00 C ATOM 0 HA ILE A 276 -1.166 -1.050 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.737 -0.187 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.056 1.730 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.139 0.440 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.063 1.627 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.299 0.028 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.130 0.937 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -4.419 2.376 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.636 0.955 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -3.536 2.265 0.103 1.00 0.00 H new ATOM 179 N ARG A 277 -1.305 -2.699 0.693 1.00 0.00 N ATOM 180 CA ARG A 277 -0.460 -3.560 1.568 1.00 0.00 C ATOM 181 C ARG A 277 0.316 -4.566 0.715 1.00 0.00 C ATOM 182 O ARG A 277 1.525 -4.506 0.612 1.00 0.00 O ATOM 183 CB ARG A 277 -1.447 -4.282 2.486 1.00 0.00 C ATOM 184 CG ARG A 277 -0.814 -4.477 3.865 1.00 0.00 C ATOM 185 CD ARG A 277 -1.096 -3.251 4.736 1.00 0.00 C ATOM 186 NE ARG A 277 0.178 -2.994 5.463 1.00 0.00 N ATOM 187 CZ ARG A 277 0.587 -3.824 6.386 1.00 0.00 C ATOM 188 NH1 ARG A 277 -0.124 -4.879 6.682 1.00 0.00 N ATOM 189 NH2 ARG A 277 1.708 -3.596 7.015 1.00 0.00 N ATOM 0 H ARG A 277 -2.282 -2.618 0.975 1.00 0.00 H new ATOM 0 HA ARG A 277 0.274 -2.986 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.367 -3.704 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -1.718 -5.248 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -1.217 -5.372 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.261 -4.626 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -1.384 -2.393 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -1.915 -3.440 5.430 1.00 0.00 H new ATOM 0 HE ARG A 277 0.733 -2.168 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -1.001 -5.057 6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 277 0.198 -5.525 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 277 2.263 -2.771 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 277 2.029 -4.242 7.736 1.00 0.00 H new ATOM 203 N LYS A 278 -0.372 -5.488 0.099 1.00 0.00 N ATOM 204 CA LYS A 278 0.323 -6.493 -0.749 1.00 0.00 C ATOM 205 C LYS A 278 1.261 -5.790 -1.733 1.00 0.00 C ATOM 206 O LYS A 278 2.461 -5.979 -1.704 1.00 0.00 O ATOM 207 CB LYS A 278 -0.793 -7.221 -1.498 1.00 0.00 C ATOM 208 CG LYS A 278 -0.199 -8.385 -2.295 1.00 0.00 C ATOM 209 CD LYS A 278 -0.701 -9.709 -1.716 1.00 0.00 C ATOM 210 CE LYS A 278 -1.736 -10.322 -2.661 1.00 0.00 C ATOM 211 NZ LYS A 278 -1.681 -11.786 -2.395 1.00 0.00 N ATOM 0 H LYS A 278 -1.386 -5.587 0.147 1.00 0.00 H new ATOM 0 HA LYS A 278 0.933 -7.180 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -1.537 -7.592 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.305 -6.531 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.483 -8.304 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.890 -8.348 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 278 0.133 -10.397 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -1.143 -9.544 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -2.732 -9.923 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -1.500 -10.101 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -2.365 -12.276 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -0.723 -12.139 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -1.917 -11.967 -1.398 1.00 0.00 H new ATOM 225 N GLN A 279 0.722 -4.981 -2.604 1.00 0.00 N ATOM 226 CA GLN A 279 1.578 -4.264 -3.589 1.00 0.00 C ATOM 227 C GLN A 279 2.841 -3.738 -2.902 1.00 0.00 C ATOM 228 O GLN A 279 3.946 -3.962 -3.357 1.00 0.00 O ATOM 229 CB GLN A 279 0.718 -3.105 -4.092 1.00 0.00 C ATOM 230 CG GLN A 279 0.729 -3.086 -5.621 1.00 0.00 C ATOM 231 CD GLN A 279 0.370 -1.685 -6.119 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.779 -1.400 -6.391 1.00 0.00 O ATOM 233 NE2 GLN A 279 1.312 -0.790 -6.249 1.00 0.00 N ATOM 0 H GLN A 279 -0.277 -4.786 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 279 1.904 -4.911 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.303 -3.211 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.099 -2.161 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 279 1.713 -3.374 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 279 0.017 -3.814 -6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 279 2.277 -1.029 -6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 279 1.083 0.148 -6.579 1.00 0.00 H new ATOM 242 N MET A 280 2.686 -3.045 -1.808 1.00 0.00 N ATOM 243 CA MET A 280 3.878 -2.510 -1.090 1.00 0.00 C ATOM 244 C MET A 280 4.864 -3.643 -0.803 1.00 0.00 C ATOM 245 O MET A 280 5.952 -3.683 -1.341 1.00 0.00 O ATOM 246 CB MET A 280 3.330 -1.934 0.217 1.00 0.00 C ATOM 247 CG MET A 280 2.825 -0.510 -0.023 1.00 0.00 C ATOM 248 SD MET A 280 3.686 0.630 1.088 1.00 0.00 S ATOM 249 CE MET A 280 2.962 0.031 2.634 1.00 0.00 C ATOM 0 H MET A 280 1.786 -2.826 -1.380 1.00 0.00 H new ATOM 0 HA MET A 280 4.411 -1.758 -1.672 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.520 -2.560 0.591 1.00 0.00 H new ATOM 0 HB3 MET A 280 4.109 -1.931 0.980 1.00 0.00 H new ATOM 0 HG2 MET A 280 2.996 -0.222 -1.060 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.750 -0.460 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 280 3.263 0.683 3.454 1.00 0.00 H new ATOM 0 HE2 MET A 280 1.875 0.031 2.551 1.00 0.00 H new ATOM 0 HE3 MET A 280 3.311 -0.983 2.830 1.00 0.00 H new ATOM 259 N ASP A 281 4.489 -4.566 0.039 1.00 0.00 N ATOM 260 CA ASP A 281 5.402 -5.700 0.360 1.00 0.00 C ATOM 261 C ASP A 281 6.069 -6.219 -0.916 1.00 0.00 C ATOM 262 O ASP A 281 7.277 -6.309 -1.006 1.00 0.00 O ATOM 263 CB ASP A 281 4.496 -6.773 0.965 1.00 0.00 C ATOM 264 CG ASP A 281 5.278 -7.572 2.009 1.00 0.00 C ATOM 265 OD1 ASP A 281 6.131 -8.349 1.614 1.00 0.00 O ATOM 266 OD2 ASP A 281 5.011 -7.392 3.186 1.00 0.00 O ATOM 0 H ASP A 281 3.589 -4.584 0.519 1.00 0.00 H new ATOM 0 HA ASP A 281 6.202 -5.408 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 281 3.623 -6.310 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 281 4.129 -7.438 0.183 1.00 0.00 H new ATOM 271 N ALA A 282 5.287 -6.566 -1.902 1.00 0.00 N ATOM 272 CA ALA A 282 5.868 -7.084 -3.172 1.00 0.00 C ATOM 273 C ALA A 282 7.104 -6.271 -3.572 1.00 0.00 C ATOM 274 O ALA A 282 8.131 -6.819 -3.918 1.00 0.00 O ATOM 275 CB ALA A 282 4.757 -6.916 -4.209 1.00 0.00 C ATOM 0 H ALA A 282 4.269 -6.513 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 282 6.193 -8.120 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 282 5.106 -7.276 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 282 3.883 -7.490 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.490 -5.862 -4.288 1.00 0.00 H new ATOM 281 N ALA A 283 7.012 -4.969 -3.533 1.00 0.00 N ATOM 282 CA ALA A 283 8.181 -4.127 -3.917 1.00 0.00 C ATOM 283 C ALA A 283 8.990 -3.735 -2.678 1.00 0.00 C ATOM 284 O ALA A 283 10.125 -3.311 -2.775 1.00 0.00 O ATOM 285 CB ALA A 283 7.575 -2.888 -4.575 1.00 0.00 C ATOM 0 H ALA A 283 6.179 -4.453 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 283 8.864 -4.653 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.373 -2.215 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 283 6.991 -3.187 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.928 -2.377 -3.862 1.00 0.00 H new ATOM 291 N ALA A 284 8.415 -3.867 -1.515 1.00 0.00 N ATOM 292 CA ALA A 284 9.151 -3.496 -0.272 1.00 0.00 C ATOM 293 C ALA A 284 10.220 -4.544 0.054 1.00 0.00 C ATOM 294 O ALA A 284 11.403 -4.298 -0.077 1.00 0.00 O ATOM 295 CB ALA A 284 8.084 -3.454 0.822 1.00 0.00 C ATOM 0 H ALA A 284 7.467 -4.216 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 284 9.671 -2.543 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 284 8.547 -3.187 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.329 -2.711 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 284 7.614 -4.434 0.910 1.00 0.00 H new ATOM 301 N SER A 285 9.816 -5.709 0.482 1.00 0.00 N ATOM 302 CA SER A 285 10.812 -6.765 0.821 1.00 0.00 C ATOM 303 C SER A 285 11.209 -7.551 -0.432 1.00 0.00 C ATOM 304 O SER A 285 11.322 -8.760 -0.405 1.00 0.00 O ATOM 305 CB SER A 285 10.098 -7.675 1.819 1.00 0.00 C ATOM 306 OG SER A 285 10.351 -7.213 3.140 1.00 0.00 O ATOM 0 H SER A 285 8.840 -5.975 0.612 1.00 0.00 H new ATOM 0 HA SER A 285 11.730 -6.345 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 285 9.026 -7.680 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 285 10.447 -8.701 1.707 1.00 0.00 H new ATOM 0 HG SER A 285 9.893 -7.794 3.783 1.00 0.00 H new ATOM 312 N LYS A 286 11.422 -6.877 -1.529 1.00 0.00 N ATOM 313 CA LYS A 286 11.811 -7.595 -2.774 1.00 0.00 C ATOM 314 C LYS A 286 13.067 -6.969 -3.388 1.00 0.00 C ATOM 315 O LYS A 286 13.626 -7.481 -4.336 1.00 0.00 O ATOM 316 CB LYS A 286 10.617 -7.435 -3.716 1.00 0.00 C ATOM 317 CG LYS A 286 11.013 -7.885 -5.123 1.00 0.00 C ATOM 318 CD LYS A 286 11.397 -9.366 -5.096 1.00 0.00 C ATOM 319 CE LYS A 286 10.131 -10.223 -5.165 1.00 0.00 C ATOM 320 NZ LYS A 286 9.996 -10.820 -3.807 1.00 0.00 N ATOM 0 H LYS A 286 11.344 -5.864 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 286 12.045 -8.643 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 286 9.775 -8.027 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 286 10.291 -6.395 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 286 10.185 -7.726 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 286 11.850 -7.288 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 286 12.052 -9.598 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 286 11.953 -9.592 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 286 9.259 -9.620 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 286 10.218 -10.996 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 9.011 -11.116 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 10.622 -11.647 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 10.261 -10.115 -3.090 1.00 0.00 H new ATOM 334 N GLY A 287 13.514 -5.865 -2.856 1.00 0.00 N ATOM 335 CA GLY A 287 14.731 -5.211 -3.414 1.00 0.00 C ATOM 336 C GLY A 287 14.365 -3.823 -3.939 1.00 0.00 C ATOM 337 O GLY A 287 15.024 -2.844 -3.648 1.00 0.00 O ATOM 0 H GLY A 287 13.090 -5.388 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 287 15.499 -5.130 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 287 15.147 -5.818 -4.218 1.00 0.00 H new ATOM 341 N ASP A 288 13.315 -3.729 -4.708 1.00 0.00 N ATOM 342 CA ASP A 288 12.904 -2.402 -5.246 1.00 0.00 C ATOM 343 C ASP A 288 12.142 -1.620 -4.175 1.00 0.00 C ATOM 344 O ASP A 288 11.037 -1.163 -4.391 1.00 0.00 O ATOM 345 CB ASP A 288 11.993 -2.719 -6.433 1.00 0.00 C ATOM 346 CG ASP A 288 12.669 -2.271 -7.730 1.00 0.00 C ATOM 347 OD1 ASP A 288 13.487 -3.021 -8.238 1.00 0.00 O ATOM 348 OD2 ASP A 288 12.357 -1.187 -8.194 1.00 0.00 O ATOM 0 H ASP A 288 12.725 -4.513 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 288 13.756 -1.791 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.785 -3.788 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 288 11.035 -2.212 -6.316 1.00 0.00 H new ATOM 353 N VAL A 289 12.727 -1.465 -3.020 1.00 0.00 N ATOM 354 CA VAL A 289 12.042 -0.715 -1.928 1.00 0.00 C ATOM 355 C VAL A 289 11.708 0.706 -2.390 1.00 0.00 C ATOM 356 O VAL A 289 10.923 1.398 -1.774 1.00 0.00 O ATOM 357 CB VAL A 289 13.046 -0.689 -0.775 1.00 0.00 C ATOM 358 CG1 VAL A 289 12.351 -0.198 0.495 1.00 0.00 C ATOM 359 CG2 VAL A 289 13.589 -2.101 -0.543 1.00 0.00 C ATOM 0 H VAL A 289 13.651 -1.826 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 289 11.100 -1.179 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 289 13.868 -0.017 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 289 13.066 -0.179 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.960 0.806 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.530 -0.870 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 289 14.305 -2.085 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 289 12.766 -2.771 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 289 14.083 -2.454 -1.448 1.00 0.00 H new ATOM 369 N GLU A 290 12.293 1.145 -3.472 1.00 0.00 N ATOM 370 CA GLU A 290 11.999 2.515 -3.969 1.00 0.00 C ATOM 371 C GLU A 290 10.495 2.780 -3.897 1.00 0.00 C ATOM 372 O GLU A 290 10.028 3.564 -3.095 1.00 0.00 O ATOM 373 CB GLU A 290 12.478 2.515 -5.421 1.00 0.00 C ATOM 374 CG GLU A 290 12.571 3.954 -5.932 1.00 0.00 C ATOM 375 CD GLU A 290 14.035 4.397 -5.946 1.00 0.00 C ATOM 376 OE1 GLU A 290 14.726 4.125 -4.978 1.00 0.00 O ATOM 377 OE2 GLU A 290 14.441 5.002 -6.925 1.00 0.00 O ATOM 0 H GLU A 290 12.960 0.613 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 290 12.489 3.290 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.451 2.029 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.789 1.942 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.150 4.023 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 290 11.986 4.616 -5.294 1.00 0.00 H new ATOM 384 N THR A 291 9.732 2.124 -4.728 1.00 0.00 N ATOM 385 CA THR A 291 8.259 2.328 -4.707 1.00 0.00 C ATOM 386 C THR A 291 7.733 2.194 -3.276 1.00 0.00 C ATOM 387 O THR A 291 6.989 3.026 -2.794 1.00 0.00 O ATOM 388 CB THR A 291 7.690 1.218 -5.593 1.00 0.00 C ATOM 389 OG1 THR A 291 7.959 1.518 -6.955 1.00 0.00 O ATOM 390 CG2 THR A 291 6.179 1.118 -5.379 1.00 0.00 C ATOM 0 H THR A 291 10.067 1.455 -5.421 1.00 0.00 H new ATOM 0 HA THR A 291 7.973 3.318 -5.063 1.00 0.00 H new ATOM 0 HB THR A 291 8.155 0.268 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 291 7.597 0.807 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.774 0.327 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.974 0.889 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 291 5.711 2.067 -5.641 1.00 0.00 H new ATOM 398 N TYR A 292 8.117 1.150 -2.593 1.00 0.00 N ATOM 399 CA TYR A 292 7.646 0.956 -1.193 1.00 0.00 C ATOM 400 C TYR A 292 7.721 2.276 -0.422 1.00 0.00 C ATOM 401 O TYR A 292 6.723 2.795 0.037 1.00 0.00 O ATOM 402 CB TYR A 292 8.609 -0.070 -0.595 1.00 0.00 C ATOM 403 CG TYR A 292 8.125 -0.484 0.774 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.759 -0.686 1.003 1.00 0.00 C ATOM 405 CD2 TYR A 292 9.044 -0.669 1.814 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.312 -1.073 2.272 1.00 0.00 C ATOM 407 CE2 TYR A 292 8.597 -1.055 3.082 1.00 0.00 C ATOM 408 CZ TYR A 292 7.231 -1.257 3.312 1.00 0.00 C ATOM 409 OH TYR A 292 6.791 -1.638 4.562 1.00 0.00 O ATOM 0 H TYR A 292 8.738 0.422 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 292 6.610 0.621 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.678 -0.941 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.610 0.355 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.050 -0.543 0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 292 10.098 -0.514 1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.258 -1.230 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 292 9.306 -1.197 3.884 1.00 0.00 H new ATOM 0 HH TYR A 292 7.557 -1.722 5.167 1.00 0.00 H new ATOM 419 N ARG A 293 8.899 2.820 -0.276 1.00 0.00 N ATOM 420 CA ARG A 293 9.044 4.104 0.466 1.00 0.00 C ATOM 421 C ARG A 293 7.911 5.066 0.097 1.00 0.00 C ATOM 422 O ARG A 293 7.050 5.362 0.901 1.00 0.00 O ATOM 423 CB ARG A 293 10.392 4.669 0.020 1.00 0.00 C ATOM 424 CG ARG A 293 11.335 4.745 1.222 1.00 0.00 C ATOM 425 CD ARG A 293 12.524 5.647 0.884 1.00 0.00 C ATOM 426 NE ARG A 293 13.597 4.715 0.438 1.00 0.00 N ATOM 427 CZ ARG A 293 14.192 3.938 1.303 1.00 0.00 C ATOM 428 NH1 ARG A 293 13.852 3.975 2.563 1.00 0.00 N ATOM 429 NH2 ARG A 293 15.131 3.122 0.907 1.00 0.00 N ATOM 0 H ARG A 293 9.768 2.429 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 293 8.997 3.961 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.825 4.037 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.258 5.660 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.804 5.136 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 293 11.686 3.747 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.269 6.360 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.839 6.227 1.752 1.00 0.00 H new ATOM 0 HE ARG A 293 13.868 4.684 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 293 13.119 4.612 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 293 14.319 3.367 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 293 15.399 3.092 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.597 2.515 1.581 1.00 0.00 H new ATOM 443 N LYS A 294 7.909 5.558 -1.112 1.00 0.00 N ATOM 444 CA LYS A 294 6.837 6.502 -1.534 1.00 0.00 C ATOM 445 C LYS A 294 5.478 6.032 -1.009 1.00 0.00 C ATOM 446 O LYS A 294 4.884 6.655 -0.151 1.00 0.00 O ATOM 447 CB LYS A 294 6.861 6.474 -3.062 1.00 0.00 C ATOM 448 CG LYS A 294 6.885 7.906 -3.596 1.00 0.00 C ATOM 449 CD LYS A 294 8.065 8.074 -4.555 1.00 0.00 C ATOM 450 CE LYS A 294 7.547 8.504 -5.929 1.00 0.00 C ATOM 451 NZ LYS A 294 8.327 9.726 -6.268 1.00 0.00 N ATOM 0 H LYS A 294 8.605 5.346 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 294 6.997 7.507 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.737 5.929 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 294 5.985 5.948 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.950 8.129 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 294 6.971 8.612 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 294 8.760 8.819 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.616 7.137 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 294 7.698 7.720 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 294 6.478 8.713 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.028 10.081 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 8.158 10.457 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 9.341 9.495 -6.295 1.00 0.00 H new ATOM 465 N LEU A 295 4.980 4.939 -1.519 1.00 0.00 N ATOM 466 CA LEU A 295 3.662 4.430 -1.049 1.00 0.00 C ATOM 467 C LEU A 295 3.567 4.541 0.475 1.00 0.00 C ATOM 468 O LEU A 295 2.623 5.088 1.009 1.00 0.00 O ATOM 469 CB LEU A 295 3.624 2.965 -1.485 1.00 0.00 C ATOM 470 CG LEU A 295 2.721 2.817 -2.710 1.00 0.00 C ATOM 471 CD1 LEU A 295 3.408 3.432 -3.931 1.00 0.00 C ATOM 472 CD2 LEU A 295 2.455 1.333 -2.970 1.00 0.00 C ATOM 0 H LEU A 295 5.430 4.377 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 295 2.828 4.998 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.631 2.619 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.254 2.342 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 295 1.777 3.331 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 295 2.763 3.326 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 295 3.598 4.489 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 295 4.353 2.920 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 295 1.811 1.226 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.400 0.820 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 295 1.964 0.894 -2.102 1.00 0.00 H new ATOM 484 N LYS A 296 4.540 4.025 1.178 1.00 0.00 N ATOM 485 CA LYS A 296 4.508 4.099 2.665 1.00 0.00 C ATOM 486 C LYS A 296 4.039 5.484 3.117 1.00 0.00 C ATOM 487 O LYS A 296 2.995 5.631 3.720 1.00 0.00 O ATOM 488 CB LYS A 296 5.950 3.850 3.107 1.00 0.00 C ATOM 489 CG LYS A 296 5.995 2.646 4.050 1.00 0.00 C ATOM 490 CD LYS A 296 6.732 3.028 5.335 1.00 0.00 C ATOM 491 CE LYS A 296 6.512 1.942 6.391 1.00 0.00 C ATOM 492 NZ LYS A 296 7.656 2.083 7.334 1.00 0.00 N ATOM 0 H LYS A 296 5.356 3.555 0.785 1.00 0.00 H new ATOM 0 HA LYS A 296 3.819 3.374 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.582 3.668 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.345 4.733 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 296 4.983 2.316 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 296 6.499 1.810 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 296 7.797 3.145 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 296 6.369 3.988 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 296 5.559 2.077 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 296 6.493 0.950 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.575 1.371 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 8.549 1.943 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.644 3.034 7.754 1.00 0.00 H new ATOM 506 N ALA A 297 4.800 6.502 2.830 1.00 0.00 N ATOM 507 CA ALA A 297 4.394 7.872 3.243 1.00 0.00 C ATOM 508 C ALA A 297 2.907 8.084 2.952 1.00 0.00 C ATOM 509 O ALA A 297 2.161 8.560 3.786 1.00 0.00 O ATOM 510 CB ALA A 297 5.248 8.813 2.394 1.00 0.00 C ATOM 0 H ALA A 297 5.686 6.444 2.327 1.00 0.00 H new ATOM 0 HA ALA A 297 4.540 8.046 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.006 9.847 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.303 8.629 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.045 8.635 1.338 1.00 0.00 H new ATOM 516 N LYS A 298 2.472 7.735 1.773 1.00 0.00 N ATOM 517 CA LYS A 298 1.038 7.914 1.421 1.00 0.00 C ATOM 518 C LYS A 298 0.139 7.342 2.522 1.00 0.00 C ATOM 519 O LYS A 298 -0.551 8.067 3.211 1.00 0.00 O ATOM 520 CB LYS A 298 0.850 7.137 0.117 1.00 0.00 C ATOM 521 CG LYS A 298 -0.294 7.758 -0.686 1.00 0.00 C ATOM 522 CD LYS A 298 0.102 9.166 -1.136 1.00 0.00 C ATOM 523 CE LYS A 298 -0.151 9.312 -2.638 1.00 0.00 C ATOM 524 NZ LYS A 298 0.711 8.278 -3.275 1.00 0.00 N ATOM 0 H LYS A 298 3.051 7.332 1.036 1.00 0.00 H new ATOM 0 HA LYS A 298 0.771 8.965 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.771 7.157 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.631 6.091 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.522 7.138 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -1.198 7.800 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -0.473 9.910 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 298 1.154 9.348 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -1.202 9.153 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.108 10.312 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.165 8.678 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.442 7.972 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.129 7.461 -3.548 1.00 0.00 H new ATOM 538 N LEU A 299 0.133 6.046 2.687 1.00 0.00 N ATOM 539 CA LEU A 299 -0.728 5.434 3.733 1.00 0.00 C ATOM 540 C LEU A 299 -0.141 5.689 5.127 1.00 0.00 C ATOM 541 O LEU A 299 -0.778 5.445 6.133 1.00 0.00 O ATOM 542 CB LEU A 299 -0.777 3.932 3.387 1.00 0.00 C ATOM 543 CG LEU A 299 0.212 3.128 4.244 1.00 0.00 C ATOM 544 CD1 LEU A 299 -0.046 1.633 4.051 1.00 0.00 C ATOM 545 CD2 LEU A 299 1.645 3.451 3.816 1.00 0.00 C ATOM 0 H LEU A 299 0.688 5.387 2.141 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.731 5.861 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -1.787 3.554 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.544 3.792 2.331 1.00 0.00 H new ATOM 0 HG LEU A 299 0.077 3.392 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 299 0.655 1.061 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.066 1.397 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.088 1.373 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 299 2.344 2.879 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.779 3.188 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.833 4.516 3.950 1.00 0.00 H new