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+ -124:sc= 0 (180deg=-0.12) USER MOD Single : A 279 GLN : amide:sc= -0.662 K(o=-0.66,f=-0.014) USER MOD Single : A 280 MET CE :methyl 147:sc= -0.817 (180deg=-3.09!) USER MOD Single : A 285 SER OG : rot 69:sc= 0.48 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -169:sc= -0.0349 (180deg=-0.129) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -3.227 -1.933 1.334 1.00 0.00 N ATOM 161 CA ILE A 276 -1.936 -1.217 1.137 1.00 0.00 C ATOM 162 C ILE A 276 -0.945 -1.609 2.235 1.00 0.00 C ATOM 163 O ILE A 276 0.134 -2.098 1.966 1.00 0.00 O ATOM 164 CB ILE A 276 -2.286 0.267 1.233 1.00 0.00 C ATOM 165 CG1 ILE A 276 -3.087 0.683 -0.003 1.00 0.00 C ATOM 166 CG2 ILE A 276 -1.000 1.092 1.307 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.615 2.106 0.186 1.00 0.00 C ATOM 0 HA ILE A 276 -1.468 -1.462 0.184 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.882 0.442 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.457 0.632 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.917 -0.006 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.250 2.151 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.428 0.797 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.404 0.917 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -4.185 2.402 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.259 2.141 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.777 2.790 0.323 1.00 0.00 H new ATOM 179 N ARG A 277 -1.306 -1.403 3.473 1.00 0.00 N ATOM 180 CA ARG A 277 -0.385 -1.771 4.585 1.00 0.00 C ATOM 181 C ARG A 277 0.210 -3.157 4.329 1.00 0.00 C ATOM 182 O ARG A 277 1.386 -3.299 4.059 1.00 0.00 O ATOM 183 CB ARG A 277 -1.262 -1.786 5.838 1.00 0.00 C ATOM 184 CG ARG A 277 -1.250 -0.401 6.488 1.00 0.00 C ATOM 185 CD ARG A 277 -2.400 -0.299 7.492 1.00 0.00 C ATOM 186 NE ARG A 277 -2.238 1.038 8.129 1.00 0.00 N ATOM 187 CZ ARG A 277 -3.043 1.410 9.088 1.00 0.00 C ATOM 188 NH1 ARG A 277 -3.994 0.612 9.494 1.00 0.00 N ATOM 189 NH2 ARG A 277 -2.897 2.582 9.642 1.00 0.00 N ATOM 0 H ARG A 277 -2.196 -0.997 3.761 1.00 0.00 H new ATOM 0 HA ARG A 277 0.449 -1.076 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.282 -2.068 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -0.895 -2.533 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -0.298 -0.232 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -1.349 0.371 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.366 -0.385 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.350 -1.098 8.232 1.00 0.00 H new ATOM 0 HE ARG A 277 -1.497 1.664 7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -4.110 -0.305 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -4.621 0.906 10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -2.155 3.207 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -3.525 2.874 10.391 1.00 0.00 H new ATOM 203 N LYS A 278 -0.595 -4.182 4.406 1.00 0.00 N ATOM 204 CA LYS A 278 -0.077 -5.555 4.162 1.00 0.00 C ATOM 205 C LYS A 278 0.804 -5.568 2.911 1.00 0.00 C ATOM 206 O LYS A 278 1.983 -5.856 2.972 1.00 0.00 O ATOM 207 CB LYS A 278 -1.322 -6.417 3.952 1.00 0.00 C ATOM 208 CG LYS A 278 -0.978 -7.885 4.211 1.00 0.00 C ATOM 209 CD LYS A 278 0.208 -8.293 3.335 1.00 0.00 C ATOM 210 CE LYS A 278 0.412 -9.807 3.424 1.00 0.00 C ATOM 211 NZ LYS A 278 1.091 -10.027 4.732 1.00 0.00 N ATOM 0 H LYS A 278 -1.589 -4.126 4.628 1.00 0.00 H new ATOM 0 HA LYS A 278 0.535 -5.921 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.117 -6.095 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.695 -6.294 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.734 -8.032 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -1.840 -8.516 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 278 0.028 -8.000 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 278 1.110 -7.774 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -0.539 -10.337 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 278 1.020 -10.173 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 1.982 -10.542 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 1.294 -9.109 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 0.472 -10.584 5.355 1.00 0.00 H new ATOM 225 N GLN A 279 0.241 -5.256 1.775 1.00 0.00 N ATOM 226 CA GLN A 279 1.043 -5.248 0.521 1.00 0.00 C ATOM 227 C GLN A 279 2.403 -4.592 0.771 1.00 0.00 C ATOM 228 O GLN A 279 3.439 -5.153 0.472 1.00 0.00 O ATOM 229 CB GLN A 279 0.222 -4.421 -0.468 1.00 0.00 C ATOM 230 CG GLN A 279 -0.371 -5.341 -1.537 1.00 0.00 C ATOM 231 CD GLN A 279 0.484 -5.271 -2.803 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.024 -5.395 -3.900 1.00 0.00 O ATOM 233 NE2 GLN A 279 1.769 -5.074 -2.698 1.00 0.00 N ATOM 0 H GLN A 279 -0.741 -5.006 1.663 1.00 0.00 H new ATOM 0 HA GLN A 279 1.238 -6.253 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.575 -3.895 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 279 0.851 -3.663 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -0.410 -6.366 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -1.395 -5.043 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 279 2.195 -4.970 -1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 279 2.347 -5.024 -3.537 1.00 0.00 H new ATOM 242 N MET A 280 2.407 -3.408 1.318 1.00 0.00 N ATOM 243 CA MET A 280 3.700 -2.715 1.588 1.00 0.00 C ATOM 244 C MET A 280 4.636 -3.634 2.375 1.00 0.00 C ATOM 245 O MET A 280 5.686 -4.015 1.901 1.00 0.00 O ATOM 246 CB MET A 280 3.326 -1.488 2.420 1.00 0.00 C ATOM 247 CG MET A 280 2.777 -0.395 1.500 1.00 0.00 C ATOM 248 SD MET A 280 3.839 1.067 1.601 1.00 0.00 S ATOM 249 CE MET A 280 3.072 1.804 3.065 1.00 0.00 C ATOM 0 H MET A 280 1.572 -2.890 1.590 1.00 0.00 H new ATOM 0 HA MET A 280 4.222 -2.440 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.580 -1.756 3.168 1.00 0.00 H new ATOM 0 HB3 MET A 280 4.200 -1.120 2.958 1.00 0.00 H new ATOM 0 HG2 MET A 280 2.735 -0.757 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.758 -0.138 1.790 1.00 0.00 H new ATOM 0 HE1 MET A 280 3.829 2.328 3.648 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.300 2.509 2.756 1.00 0.00 H new ATOM 0 HE3 MET A 280 2.624 1.020 3.675 1.00 0.00 H new ATOM 259 N ASP A 281 4.265 -3.993 3.573 1.00 0.00 N ATOM 260 CA ASP A 281 5.136 -4.888 4.388 1.00 0.00 C ATOM 261 C ASP A 281 5.701 -6.012 3.514 1.00 0.00 C ATOM 262 O ASP A 281 6.899 -6.168 3.382 1.00 0.00 O ATOM 263 CB ASP A 281 4.214 -5.459 5.466 1.00 0.00 C ATOM 264 CG ASP A 281 5.029 -5.772 6.723 1.00 0.00 C ATOM 265 OD1 ASP A 281 6.085 -5.182 6.882 1.00 0.00 O ATOM 266 OD2 ASP A 281 4.582 -6.595 7.505 1.00 0.00 O ATOM 0 H ASP A 281 3.396 -3.706 4.023 1.00 0.00 H new ATOM 0 HA ASP A 281 5.988 -4.360 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 281 3.425 -4.744 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 281 3.727 -6.363 5.101 1.00 0.00 H new ATOM 271 N ALA A 282 4.847 -6.798 2.922 1.00 0.00 N ATOM 272 CA ALA A 282 5.328 -7.912 2.062 1.00 0.00 C ATOM 273 C ALA A 282 6.284 -7.389 0.984 1.00 0.00 C ATOM 274 O ALA A 282 7.451 -7.724 0.961 1.00 0.00 O ATOM 275 CB ALA A 282 4.065 -8.489 1.422 1.00 0.00 C ATOM 0 H ALA A 282 3.833 -6.716 2.997 1.00 0.00 H new ATOM 0 HA ALA A 282 5.879 -8.660 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 282 4.335 -9.319 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 282 3.392 -8.844 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 282 3.567 -7.715 0.838 1.00 0.00 H new ATOM 281 N ALA A 283 5.794 -6.576 0.087 1.00 0.00 N ATOM 282 CA ALA A 283 6.670 -6.038 -0.996 1.00 0.00 C ATOM 283 C ALA A 283 7.813 -5.205 -0.408 1.00 0.00 C ATOM 284 O ALA A 283 8.750 -4.850 -1.095 1.00 0.00 O ATOM 285 CB ALA A 283 5.751 -5.159 -1.844 1.00 0.00 C ATOM 0 H ALA A 283 4.825 -6.260 0.057 1.00 0.00 H new ATOM 0 HA ALA A 283 7.134 -6.834 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 283 6.320 -4.724 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 283 4.938 -5.764 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 283 5.338 -4.362 -1.226 1.00 0.00 H new ATOM 291 N ALA A 284 7.742 -4.883 0.854 1.00 0.00 N ATOM 292 CA ALA A 284 8.824 -4.066 1.475 1.00 0.00 C ATOM 293 C ALA A 284 10.045 -4.937 1.785 1.00 0.00 C ATOM 294 O ALA A 284 11.041 -4.895 1.092 1.00 0.00 O ATOM 295 CB ALA A 284 8.218 -3.517 2.766 1.00 0.00 C ATOM 0 H ALA A 284 6.983 -5.149 1.482 1.00 0.00 H new ATOM 0 HA ALA A 284 9.165 -3.271 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 284 8.956 -2.903 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.344 -2.911 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 284 7.921 -4.345 3.410 1.00 0.00 H new ATOM 301 N SER A 285 9.978 -5.720 2.827 1.00 0.00 N ATOM 302 CA SER A 285 11.138 -6.584 3.185 1.00 0.00 C ATOM 303 C SER A 285 11.098 -7.896 2.395 1.00 0.00 C ATOM 304 O SER A 285 11.355 -8.957 2.927 1.00 0.00 O ATOM 305 CB SER A 285 10.982 -6.854 4.681 1.00 0.00 C ATOM 306 OG SER A 285 9.967 -7.829 4.878 1.00 0.00 O ATOM 0 H SER A 285 9.171 -5.799 3.445 1.00 0.00 H new ATOM 0 HA SER A 285 12.090 -6.108 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 285 11.925 -7.205 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 285 10.724 -5.933 5.204 1.00 0.00 H new ATOM 0 HG SER A 285 10.280 -8.698 4.550 1.00 0.00 H new ATOM 312 N LYS A 286 10.778 -7.835 1.131 1.00 0.00 N ATOM 313 CA LYS A 286 10.726 -9.082 0.319 1.00 0.00 C ATOM 314 C LYS A 286 11.554 -8.934 -0.962 1.00 0.00 C ATOM 315 O LYS A 286 11.863 -9.904 -1.625 1.00 0.00 O ATOM 316 CB LYS A 286 9.248 -9.278 -0.017 1.00 0.00 C ATOM 317 CG LYS A 286 9.089 -10.502 -0.922 1.00 0.00 C ATOM 318 CD LYS A 286 7.606 -10.859 -1.043 1.00 0.00 C ATOM 319 CE LYS A 286 7.432 -11.965 -2.086 1.00 0.00 C ATOM 320 NZ LYS A 286 7.651 -13.235 -1.338 1.00 0.00 N ATOM 0 H LYS A 286 10.551 -6.978 0.627 1.00 0.00 H new ATOM 0 HA LYS A 286 11.140 -9.934 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 286 8.671 -9.411 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 286 8.856 -8.391 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 286 9.506 -10.295 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 286 9.645 -11.345 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 286 7.221 -11.190 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 286 7.031 -9.979 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 286 6.438 -11.935 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 286 8.149 -11.857 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 7.548 -14.042 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 8.608 -13.238 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 6.950 -13.313 -0.574 1.00 0.00 H new ATOM 334 N GLY A 287 11.916 -7.732 -1.319 1.00 0.00 N ATOM 335 CA GLY A 287 12.721 -7.535 -2.558 1.00 0.00 C ATOM 336 C GLY A 287 12.082 -6.440 -3.412 1.00 0.00 C ATOM 337 O GLY A 287 12.742 -5.526 -3.863 1.00 0.00 O ATOM 0 H GLY A 287 11.690 -6.879 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 287 13.744 -7.260 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 287 12.774 -8.466 -3.122 1.00 0.00 H new ATOM 341 N ASP A 288 10.799 -6.524 -3.635 1.00 0.00 N ATOM 342 CA ASP A 288 10.117 -5.486 -4.457 1.00 0.00 C ATOM 343 C ASP A 288 9.852 -4.241 -3.607 1.00 0.00 C ATOM 344 O ASP A 288 8.733 -3.782 -3.491 1.00 0.00 O ATOM 345 CB ASP A 288 8.801 -6.129 -4.896 1.00 0.00 C ATOM 346 CG ASP A 288 7.957 -5.101 -5.651 1.00 0.00 C ATOM 347 OD1 ASP A 288 8.307 -4.788 -6.777 1.00 0.00 O ATOM 348 OD2 ASP A 288 6.974 -4.644 -5.092 1.00 0.00 O ATOM 0 H ASP A 288 10.194 -7.266 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 288 10.716 -5.170 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 288 9.000 -6.990 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 288 8.255 -6.495 -4.026 1.00 0.00 H new ATOM 353 N VAL A 289 10.875 -3.695 -3.009 1.00 0.00 N ATOM 354 CA VAL A 289 10.686 -2.483 -2.162 1.00 0.00 C ATOM 355 C VAL A 289 10.099 -1.341 -2.995 1.00 0.00 C ATOM 356 O VAL A 289 9.538 -0.401 -2.468 1.00 0.00 O ATOM 357 CB VAL A 289 12.086 -2.124 -1.664 1.00 0.00 C ATOM 358 CG1 VAL A 289 11.978 -1.090 -0.543 1.00 0.00 C ATOM 359 CG2 VAL A 289 12.775 -3.383 -1.130 1.00 0.00 C ATOM 0 H VAL A 289 11.834 -4.036 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 289 9.995 -2.659 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 289 12.669 -1.710 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 289 12.976 -0.833 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.486 -0.194 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.395 -1.505 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.773 -3.128 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 289 12.191 -3.796 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 289 12.851 -4.122 -1.928 1.00 0.00 H new ATOM 369 N GLU A 290 10.221 -1.413 -4.292 1.00 0.00 N ATOM 370 CA GLU A 290 9.665 -0.332 -5.148 1.00 0.00 C ATOM 371 C GLU A 290 8.241 0.002 -4.702 1.00 0.00 C ATOM 372 O GLU A 290 7.977 1.060 -4.167 1.00 0.00 O ATOM 373 CB GLU A 290 9.664 -0.912 -6.561 1.00 0.00 C ATOM 374 CG GLU A 290 9.490 0.218 -7.578 1.00 0.00 C ATOM 375 CD GLU A 290 10.666 1.190 -7.466 1.00 0.00 C ATOM 376 OE1 GLU A 290 11.784 0.723 -7.321 1.00 0.00 O ATOM 377 OE2 GLU A 290 10.429 2.385 -7.526 1.00 0.00 O ATOM 0 H GLU A 290 10.681 -2.173 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 290 10.244 0.590 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 290 10.597 -1.443 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 290 8.858 -1.638 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 290 9.437 -0.191 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 290 8.552 0.743 -7.398 1.00 0.00 H new ATOM 384 N THR A 291 7.323 -0.899 -4.917 1.00 0.00 N ATOM 385 CA THR A 291 5.917 -0.645 -4.506 1.00 0.00 C ATOM 386 C THR A 291 5.868 -0.193 -3.045 1.00 0.00 C ATOM 387 O THR A 291 5.178 0.745 -2.697 1.00 0.00 O ATOM 388 CB THR A 291 5.206 -1.989 -4.678 1.00 0.00 C ATOM 389 OG1 THR A 291 5.061 -2.271 -6.063 1.00 0.00 O ATOM 390 CG2 THR A 291 3.827 -1.928 -4.021 1.00 0.00 C ATOM 0 H THR A 291 7.488 -1.802 -5.361 1.00 0.00 H new ATOM 0 HA THR A 291 5.448 0.142 -5.097 1.00 0.00 H new ATOM 0 HB THR A 291 5.795 -2.775 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 291 4.607 -3.132 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 291 3.322 -2.886 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 291 3.939 -1.712 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 291 3.235 -1.143 -4.491 1.00 0.00 H new ATOM 398 N TYR A 292 6.599 -0.852 -2.187 1.00 0.00 N ATOM 399 CA TYR A 292 6.598 -0.459 -0.748 1.00 0.00 C ATOM 400 C TYR A 292 6.797 1.052 -0.616 1.00 0.00 C ATOM 401 O TYR A 292 5.903 1.774 -0.220 1.00 0.00 O ATOM 402 CB TYR A 292 7.779 -1.214 -0.135 1.00 0.00 C ATOM 403 CG TYR A 292 7.860 -0.919 1.344 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.690 -0.712 2.084 1.00 0.00 C ATOM 405 CD2 TYR A 292 9.108 -0.857 1.975 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.769 -0.442 3.456 1.00 0.00 C ATOM 407 CE2 TYR A 292 9.187 -0.587 3.347 1.00 0.00 C ATOM 408 CZ TYR A 292 8.017 -0.380 4.087 1.00 0.00 C ATOM 409 OH TYR A 292 8.094 -0.114 5.439 1.00 0.00 O ATOM 0 H TYR A 292 7.197 -1.645 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 292 5.658 -0.699 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 292 7.661 -2.286 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 292 8.706 -0.918 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.727 -0.760 1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 292 10.010 -1.017 1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.867 -0.282 4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 292 10.150 -0.539 3.834 1.00 0.00 H new ATOM 0 HH TYR A 292 9.033 -0.108 5.718 1.00 0.00 H new ATOM 419 N ARG A 293 7.962 1.537 -0.947 1.00 0.00 N ATOM 420 CA ARG A 293 8.219 2.999 -0.843 1.00 0.00 C ATOM 421 C ARG A 293 7.063 3.786 -1.465 1.00 0.00 C ATOM 422 O ARG A 293 6.376 4.532 -0.795 1.00 0.00 O ATOM 423 CB ARG A 293 9.510 3.231 -1.630 1.00 0.00 C ATOM 424 CG ARG A 293 10.244 4.445 -1.060 1.00 0.00 C ATOM 425 CD ARG A 293 11.518 4.698 -1.869 1.00 0.00 C ATOM 426 NE ARG A 293 11.532 6.167 -2.115 1.00 0.00 N ATOM 427 CZ ARG A 293 12.591 6.737 -2.627 1.00 0.00 C ATOM 428 NH1 ARG A 293 13.641 6.021 -2.927 1.00 0.00 N ATOM 429 NH2 ARG A 293 12.597 8.024 -2.840 1.00 0.00 N ATOM 0 H ARG A 293 8.748 0.982 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 293 8.307 3.330 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.147 2.348 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 293 9.282 3.392 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 293 9.598 5.323 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.494 4.274 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.404 4.381 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 293 11.508 4.141 -2.806 1.00 0.00 H new ATOM 0 HE ARG A 293 10.713 6.729 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 293 13.636 5.014 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 293 14.466 6.468 -3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 293 11.776 8.583 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 293 13.422 8.471 -3.239 1.00 0.00 H new ATOM 443 N LYS A 294 6.846 3.627 -2.743 1.00 0.00 N ATOM 444 CA LYS A 294 5.738 4.364 -3.415 1.00 0.00 C ATOM 445 C LYS A 294 4.490 4.377 -2.528 1.00 0.00 C ATOM 446 O LYS A 294 4.092 5.406 -2.018 1.00 0.00 O ATOM 447 CB LYS A 294 5.470 3.586 -4.703 1.00 0.00 C ATOM 448 CG LYS A 294 5.801 4.465 -5.911 1.00 0.00 C ATOM 449 CD LYS A 294 5.448 3.717 -7.198 1.00 0.00 C ATOM 450 CE LYS A 294 6.142 4.388 -8.386 1.00 0.00 C ATOM 451 NZ LYS A 294 5.256 5.526 -8.756 1.00 0.00 N ATOM 0 H LYS A 294 7.390 3.016 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 294 5.997 5.405 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 294 6.074 2.679 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 294 4.426 3.275 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.244 5.400 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 294 6.860 4.724 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 294 5.759 2.675 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 294 4.368 3.717 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 294 7.139 4.736 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 294 6.261 3.693 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 5.665 6.036 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 4.316 5.164 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 5.167 6.174 -7.947 1.00 0.00 H new ATOM 465 N LEU A 295 3.870 3.243 -2.344 1.00 0.00 N ATOM 466 CA LEU A 295 2.649 3.188 -1.494 1.00 0.00 C ATOM 467 C LEU A 295 2.836 4.050 -0.243 1.00 0.00 C ATOM 468 O LEU A 295 2.025 4.901 0.062 1.00 0.00 O ATOM 469 CB LEU A 295 2.495 1.715 -1.114 1.00 0.00 C ATOM 470 CG LEU A 295 1.558 1.027 -2.108 1.00 0.00 C ATOM 471 CD1 LEU A 295 1.815 -0.481 -2.092 1.00 0.00 C ATOM 472 CD2 LEU A 295 0.106 1.300 -1.710 1.00 0.00 C ATOM 0 H LEU A 295 4.158 2.351 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 295 1.768 3.568 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 295 3.468 1.224 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 295 2.097 1.629 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 295 1.741 1.416 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.147 -0.971 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 295 2.850 -0.677 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 295 1.631 -0.871 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -0.563 0.810 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -0.076 0.910 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -0.078 2.374 -1.720 1.00 0.00 H new ATOM 484 N LYS A 296 3.901 3.837 0.482 1.00 0.00 N ATOM 485 CA LYS A 296 4.140 4.645 1.708 1.00 0.00 C ATOM 486 C LYS A 296 3.826 6.118 1.433 1.00 0.00 C ATOM 487 O LYS A 296 2.881 6.670 1.960 1.00 0.00 O ATOM 488 CB LYS A 296 5.625 4.463 2.023 1.00 0.00 C ATOM 489 CG LYS A 296 5.884 4.820 3.488 1.00 0.00 C ATOM 490 CD LYS A 296 7.386 4.758 3.771 1.00 0.00 C ATOM 491 CE LYS A 296 7.967 6.174 3.756 1.00 0.00 C ATOM 492 NZ LYS A 296 8.639 6.300 2.433 1.00 0.00 N ATOM 0 H LYS A 296 4.615 3.138 0.277 1.00 0.00 H new ATOM 0 HA LYS A 296 3.509 4.332 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.925 3.433 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.226 5.097 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 296 5.504 5.819 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 296 5.351 4.129 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 296 7.565 4.290 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 296 7.883 4.142 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 296 7.184 6.923 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 296 8.674 6.320 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 9.217 7.165 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 9.249 5.473 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.921 6.350 1.682 1.00 0.00 H new ATOM 506 N ALA A 297 4.611 6.756 0.609 1.00 0.00 N ATOM 507 CA ALA A 297 4.356 8.189 0.299 1.00 0.00 C ATOM 508 C ALA A 297 2.864 8.413 0.043 1.00 0.00 C ATOM 509 O ALA A 297 2.185 9.071 0.807 1.00 0.00 O ATOM 510 CB ALA A 297 5.166 8.472 -0.966 1.00 0.00 C ATOM 0 H ALA A 297 5.417 6.346 0.138 1.00 0.00 H new ATOM 0 HA ALA A 297 4.641 8.848 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.030 9.513 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.222 8.285 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 297 4.824 7.820 -1.770 1.00 0.00 H new ATOM 516 N LYS A 298 2.347 7.871 -1.026 1.00 0.00 N ATOM 517 CA LYS A 298 0.901 8.052 -1.329 1.00 0.00 C ATOM 518 C LYS A 298 0.070 7.874 -0.056 1.00 0.00 C ATOM 519 O LYS A 298 -0.744 8.708 0.288 1.00 0.00 O ATOM 520 CB LYS A 298 0.569 6.958 -2.344 1.00 0.00 C ATOM 521 CG LYS A 298 -0.851 7.167 -2.874 1.00 0.00 C ATOM 522 CD LYS A 298 -0.814 7.293 -4.399 1.00 0.00 C ATOM 523 CE LYS A 298 -2.156 7.830 -4.900 1.00 0.00 C ATOM 524 NZ LYS A 298 -1.818 8.661 -6.089 1.00 0.00 N ATOM 0 H LYS A 298 2.865 7.310 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 298 0.680 9.047 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.283 6.982 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.654 5.977 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -1.486 6.330 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -1.286 8.065 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -0.008 7.962 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.608 6.322 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -2.832 7.017 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -2.655 8.422 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -2.689 9.065 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -1.179 9.430 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -1.350 8.069 -6.805 1.00 0.00 H new ATOM 538 N LEU A 299 0.270 6.791 0.646 1.00 0.00 N ATOM 539 CA LEU A 299 -0.505 6.555 1.896 1.00 0.00 C ATOM 540 C LEU A 299 -0.615 7.850 2.705 1.00 0.00 C ATOM 541 O LEU A 299 -1.696 8.302 3.028 1.00 0.00 O ATOM 542 CB LEU A 299 0.296 5.506 2.667 1.00 0.00 C ATOM 543 CG LEU A 299 -0.555 4.952 3.810 1.00 0.00 C ATOM 544 CD1 LEU A 299 -0.616 3.427 3.709 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.072 5.348 5.149 1.00 0.00 C ATOM 0 H LEU A 299 0.938 6.059 0.406 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.523 6.222 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.596 4.699 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.210 5.949 3.062 1.00 0.00 H new ATOM 0 HG LEU A 299 -1.563 5.361 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -1.223 3.032 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.061 3.143 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.392 3.017 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -0.534 4.954 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.080 4.938 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.117 6.435 5.223 1.00 0.00 H new