USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot 105:sc= 1.2 USER MOD Single : A 254 THR OG1 : rot 80:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.365 9.889 3.951 1.00 0.00 N ATOM 130 CA LEU A 245 -1.550 9.053 3.871 1.00 0.00 C ATOM 131 C LEU A 245 -1.500 8.225 2.586 1.00 0.00 C ATOM 132 O LEU A 245 -1.819 7.037 2.595 1.00 0.00 O ATOM 133 CB LEU A 245 -2.815 9.901 4.006 1.00 0.00 C ATOM 134 CG LEU A 245 -3.383 10.040 5.420 1.00 0.00 C ATOM 135 CD1 LEU A 245 -2.405 10.782 6.334 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.760 10.704 5.396 1.00 0.00 C ATOM 0 HA LEU A 245 -1.575 8.350 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.602 10.899 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.586 9.471 3.367 1.00 0.00 H new ATOM 0 HG LEU A 245 -3.515 9.040 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -2.833 10.867 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -1.467 10.230 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -2.217 11.778 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -5.140 10.790 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.677 11.697 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -5.445 10.099 4.803 1.00 0.00 H new ATOM 148 N SER A 246 -1.095 8.885 1.510 1.00 0.00 N ATOM 149 CA SER A 246 -0.968 8.218 0.226 1.00 0.00 C ATOM 150 C SER A 246 -0.014 7.027 0.348 1.00 0.00 C ATOM 151 O SER A 246 -0.259 5.970 -0.233 1.00 0.00 O ATOM 152 CB SER A 246 -0.473 9.185 -0.851 1.00 0.00 C ATOM 153 OG SER A 246 -1.178 10.423 -0.820 1.00 0.00 O ATOM 0 H SER A 246 -0.851 9.875 1.502 1.00 0.00 H new ATOM 0 HA SER A 246 -1.953 7.859 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.592 9.370 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.590 8.726 -1.833 1.00 0.00 H new ATOM 0 HG SER A 246 -0.832 11.014 -1.521 1.00 0.00 H new ATOM 159 N ILE A 247 1.050 7.238 1.105 1.00 0.00 N ATOM 160 CA ILE A 247 2.023 6.183 1.340 1.00 0.00 C ATOM 161 C ILE A 247 1.398 5.106 2.228 1.00 0.00 C ATOM 162 O ILE A 247 1.514 3.917 1.941 1.00 0.00 O ATOM 163 CB ILE A 247 3.321 6.767 1.902 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.936 7.775 0.929 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.306 5.656 2.275 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.368 8.128 1.338 1.00 0.00 C ATOM 0 H ILE A 247 1.262 8.124 1.565 1.00 0.00 H new ATOM 0 HA ILE A 247 2.297 5.702 0.401 1.00 0.00 H new ATOM 0 HB ILE A 247 3.083 7.308 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.934 7.361 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.328 8.679 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.220 6.098 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.858 5.011 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.543 5.067 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.782 8.846 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.364 8.564 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.979 7.225 1.339 1.00 0.00 H new ATOM 178 N SER A 248 0.747 5.563 3.288 1.00 0.00 N ATOM 179 CA SER A 248 0.202 4.653 4.282 1.00 0.00 C ATOM 180 C SER A 248 -0.793 3.695 3.625 1.00 0.00 C ATOM 181 O SER A 248 -0.961 2.564 4.076 1.00 0.00 O ATOM 182 CB SER A 248 -0.473 5.421 5.420 1.00 0.00 C ATOM 183 OG SER A 248 0.456 6.215 6.153 1.00 0.00 O ATOM 0 H SER A 248 0.585 6.551 3.480 1.00 0.00 H new ATOM 0 HA SER A 248 1.025 4.077 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.254 6.062 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.959 4.716 6.095 1.00 0.00 H new ATOM 0 HG SER A 248 -0.014 6.691 6.869 1.00 0.00 H new ATOM 189 N VAL A 249 -1.425 4.183 2.567 1.00 0.00 N ATOM 190 CA VAL A 249 -2.459 3.416 1.894 1.00 0.00 C ATOM 191 C VAL A 249 -1.830 2.602 0.761 1.00 0.00 C ATOM 192 O VAL A 249 -1.981 1.382 0.709 1.00 0.00 O ATOM 193 CB VAL A 249 -3.572 4.348 1.413 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.527 3.618 0.466 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.330 4.953 2.596 1.00 0.00 C ATOM 0 H VAL A 249 -1.241 5.100 2.160 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.920 2.709 2.584 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.109 5.164 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.309 4.303 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.974 3.257 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.979 2.773 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.116 5.612 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.775 4.155 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.640 5.525 3.216 1.00 0.00 H new ATOM 205 N LEU A 250 -1.136 3.311 -0.117 1.00 0.00 N ATOM 206 CA LEU A 250 -0.638 2.704 -1.341 1.00 0.00 C ATOM 207 C LEU A 250 0.422 1.658 -0.992 1.00 0.00 C ATOM 208 O LEU A 250 0.497 0.610 -1.630 1.00 0.00 O ATOM 209 CB LEU A 250 -0.143 3.780 -2.309 1.00 0.00 C ATOM 210 CG LEU A 250 -1.207 4.743 -2.843 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.562 5.950 -3.528 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.188 4.018 -3.767 1.00 0.00 C ATOM 0 H LEU A 250 -0.907 4.299 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.441 2.183 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.629 4.364 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.331 3.287 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.780 5.121 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.340 6.617 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.063 6.483 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.051 5.610 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.933 4.724 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.646 3.593 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.685 3.219 -3.216 1.00 0.00 H new ATOM 224 N LEU A 251 1.214 1.978 0.021 1.00 0.00 N ATOM 225 CA LEU A 251 2.292 1.099 0.436 1.00 0.00 C ATOM 226 C LEU A 251 1.700 -0.176 1.041 1.00 0.00 C ATOM 227 O LEU A 251 2.175 -1.277 0.769 1.00 0.00 O ATOM 228 CB LEU A 251 3.255 1.833 1.369 1.00 0.00 C ATOM 229 CG LEU A 251 4.584 1.130 1.651 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.442 1.052 0.386 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.327 1.804 2.807 1.00 0.00 C ATOM 0 H LEU A 251 1.130 2.836 0.567 1.00 0.00 H new ATOM 0 HA LEU A 251 2.889 0.797 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.469 2.812 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.749 2.004 2.319 1.00 0.00 H new ATOM 0 HG LEU A 251 4.370 0.107 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.381 0.548 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.907 0.493 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.649 2.059 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.268 1.285 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.529 2.844 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.713 1.764 3.707 1.00 0.00 H new ATOM 243 N SER A 252 0.671 0.016 1.853 1.00 0.00 N ATOM 244 CA SER A 252 -0.026 -1.107 2.457 1.00 0.00 C ATOM 245 C SER A 252 -0.754 -1.912 1.379 1.00 0.00 C ATOM 246 O SER A 252 -0.887 -3.130 1.493 1.00 0.00 O ATOM 247 CB SER A 252 -1.014 -0.632 3.525 1.00 0.00 C ATOM 248 OG SER A 252 -0.354 -0.011 4.625 1.00 0.00 O ATOM 0 H SER A 252 0.303 0.933 2.107 1.00 0.00 H new ATOM 0 HA SER A 252 0.711 -1.747 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.718 0.072 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.596 -1.481 3.884 1.00 0.00 H new ATOM 0 HG SER A 252 -0.478 0.960 4.575 1.00 0.00 H new ATOM 254 N LEU A 253 -1.209 -1.199 0.359 1.00 0.00 N ATOM 255 CA LEU A 253 -1.871 -1.839 -0.763 1.00 0.00 C ATOM 256 C LEU A 253 -0.851 -2.664 -1.549 1.00 0.00 C ATOM 257 O LEU A 253 -1.139 -3.790 -1.956 1.00 0.00 O ATOM 258 CB LEU A 253 -2.608 -0.801 -1.613 1.00 0.00 C ATOM 259 CG LEU A 253 -3.856 -1.297 -2.347 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.547 -2.549 -3.170 1.00 0.00 C ATOM 261 CD2 LEU A 253 -5.011 -1.525 -1.370 1.00 0.00 C ATOM 0 H LEU A 253 -1.132 -0.184 0.287 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.636 -2.530 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.896 0.029 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.911 -0.404 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.172 -0.522 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.451 -2.881 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.777 -2.319 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.193 -3.340 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.886 -1.877 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.720 -2.271 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.251 -0.589 -0.866 1.00 0.00 H new ATOM 273 N THR A 254 0.319 -2.074 -1.741 1.00 0.00 N ATOM 274 CA THR A 254 1.369 -2.723 -2.508 1.00 0.00 C ATOM 275 C THR A 254 1.901 -3.945 -1.754 1.00 0.00 C ATOM 276 O THR A 254 2.221 -4.964 -2.363 1.00 0.00 O ATOM 277 CB THR A 254 2.446 -1.681 -2.811 1.00 0.00 C ATOM 278 OG1 THR A 254 1.793 -0.746 -3.666 1.00 0.00 O ATOM 279 CG2 THR A 254 3.579 -2.244 -3.671 1.00 0.00 C ATOM 0 H THR A 254 0.564 -1.153 -1.378 1.00 0.00 H new ATOM 0 HA THR A 254 0.989 -3.104 -3.456 1.00 0.00 H new ATOM 0 HB THR A 254 2.855 -1.299 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.248 -0.136 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.317 -1.464 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.053 -3.075 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.175 -2.595 -4.621 1.00 0.00 H new ATOM 287 N VAL A 255 1.978 -3.801 -0.439 1.00 0.00 N ATOM 288 CA VAL A 255 2.417 -4.898 0.408 1.00 0.00 C ATOM 289 C VAL A 255 1.365 -6.008 0.383 1.00 0.00 C ATOM 290 O VAL A 255 1.703 -7.187 0.294 1.00 0.00 O ATOM 291 CB VAL A 255 2.709 -4.383 1.820 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.725 -5.532 2.830 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.024 -3.601 1.856 1.00 0.00 C ATOM 0 H VAL A 255 1.744 -2.943 0.060 1.00 0.00 H new ATOM 0 HA VAL A 255 3.347 -5.323 0.032 1.00 0.00 H new ATOM 0 HB VAL A 255 1.906 -3.702 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 255 2.935 -5.139 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.754 -6.028 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.498 -6.249 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.209 -3.246 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.842 -4.250 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.959 -2.749 1.179 1.00 0.00 H new ATOM 303 N PHE A 256 0.109 -5.592 0.463 1.00 0.00 N ATOM 304 CA PHE A 256 -0.997 -6.533 0.402 1.00 0.00 C ATOM 305 C PHE A 256 -1.068 -7.207 -0.969 1.00 0.00 C ATOM 306 O PHE A 256 -1.437 -8.375 -1.071 1.00 0.00 O ATOM 307 CB PHE A 256 -2.279 -5.731 0.632 1.00 0.00 C ATOM 308 CG PHE A 256 -3.560 -6.562 0.523 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.749 -7.631 1.342 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.510 -6.230 -0.393 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.937 -8.401 1.240 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.698 -7.000 -0.493 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.887 -8.069 0.325 1.00 0.00 C ATOM 0 H PHE A 256 -0.167 -4.616 0.570 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.865 -7.312 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.237 -5.274 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.322 -4.918 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.996 -7.894 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.360 -5.381 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -5.087 -9.251 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.452 -6.736 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.791 -8.655 0.248 1.00 0.00 H new ATOM 323 N LEU A 257 -0.712 -6.441 -1.989 1.00 0.00 N ATOM 324 CA LEU A 257 -0.657 -6.971 -3.340 1.00 0.00 C ATOM 325 C LEU A 257 0.500 -7.967 -3.447 1.00 0.00 C ATOM 326 O LEU A 257 0.369 -9.011 -4.084 1.00 0.00 O ATOM 327 CB LEU A 257 -0.585 -5.833 -4.361 1.00 0.00 C ATOM 328 CG LEU A 257 -1.134 -6.146 -5.754 1.00 0.00 C ATOM 329 CD1 LEU A 257 -0.418 -7.352 -6.366 1.00 0.00 C ATOM 330 CD2 LEU A 257 -2.650 -6.338 -5.716 1.00 0.00 C ATOM 0 H LEU A 257 -0.459 -5.456 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.571 -7.518 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.130 -4.978 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.457 -5.528 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.935 -5.291 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -0.827 -7.554 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 257 0.648 -7.138 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -0.564 -8.224 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -3.014 -6.559 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -2.895 -7.165 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -3.123 -5.426 -5.351 1.00 0.00 H new ATOM 342 N LEU A 258 1.607 -7.608 -2.814 1.00 0.00 N ATOM 343 CA LEU A 258 2.749 -8.504 -2.738 1.00 0.00 C ATOM 344 C LEU A 258 2.334 -9.794 -2.030 1.00 0.00 C ATOM 345 O LEU A 258 2.613 -10.890 -2.516 1.00 0.00 O ATOM 346 CB LEU A 258 3.939 -7.799 -2.084 1.00 0.00 C ATOM 347 CG LEU A 258 5.323 -8.210 -2.592 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.424 -7.417 -1.886 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.530 -9.720 -2.458 1.00 0.00 C ATOM 0 H LEU A 258 1.738 -6.710 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 258 3.082 -8.782 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.824 -6.725 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.899 -7.981 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 258 5.382 -7.969 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.397 -7.729 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.284 -6.353 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.376 -7.604 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.521 -9.985 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.443 -10.008 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.774 -10.244 -3.042 1.00 0.00 H new ATOM 361 N VAL A 259 1.674 -9.623 -0.894 1.00 0.00 N ATOM 362 CA VAL A 259 1.219 -10.761 -0.114 1.00 0.00 C ATOM 363 C VAL A 259 0.340 -11.656 -0.991 1.00 0.00 C ATOM 364 O VAL A 259 0.300 -12.871 -0.800 1.00 0.00 O ATOM 365 CB VAL A 259 0.505 -10.278 1.149 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.368 -11.384 1.744 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.507 -9.756 2.180 1.00 0.00 C ATOM 0 H VAL A 259 1.443 -8.713 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 259 2.067 -11.360 0.217 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.148 -9.452 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.864 -11.013 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.118 -11.688 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.255 -12.240 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.973 -9.419 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.197 -10.554 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.066 -8.922 1.755 1.00 0.00 H new ATOM 377 N ILE A 260 -0.340 -11.022 -1.935 1.00 0.00 N ATOM 378 CA ILE A 260 -1.228 -11.743 -2.830 1.00 0.00 C ATOM 379 C ILE A 260 -0.399 -12.441 -3.910 1.00 0.00 C ATOM 380 O ILE A 260 -0.753 -13.528 -4.364 1.00 0.00 O ATOM 381 CB ILE A 260 -2.302 -10.808 -3.387 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.430 -10.602 -2.374 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.826 -11.314 -4.733 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.428 -9.554 -2.871 1.00 0.00 C ATOM 0 H ILE A 260 -0.294 -10.016 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.766 -12.521 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.847 -9.834 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -3.945 -11.547 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.012 -10.287 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.589 -10.631 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.004 -11.366 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.259 -12.306 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.220 -9.426 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.914 -8.604 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.862 -9.884 -3.815 1.00 0.00 H new ATOM 396 N VAL A 261 0.688 -11.787 -4.291 1.00 0.00 N ATOM 397 CA VAL A 261 1.592 -12.350 -5.281 1.00 0.00 C ATOM 398 C VAL A 261 2.341 -13.534 -4.667 1.00 0.00 C ATOM 399 O VAL A 261 2.906 -14.357 -5.386 1.00 0.00 O ATOM 400 CB VAL A 261 2.526 -11.262 -5.814 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.740 -11.877 -6.515 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.779 -10.308 -6.748 1.00 0.00 C ATOM 0 H VAL A 261 0.964 -10.873 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 261 1.034 -12.728 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 261 2.887 -10.684 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.388 -11.082 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.293 -12.497 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.405 -12.490 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.466 -9.544 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 261 1.376 -10.867 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.962 -9.832 -6.205 1.00 0.00 H new ATOM 412 N GLU A 262 2.323 -13.582 -3.342 1.00 0.00 N ATOM 413 CA GLU A 262 2.882 -14.716 -2.627 1.00 0.00 C ATOM 414 C GLU A 262 1.881 -15.873 -2.602 1.00 0.00 C ATOM 415 O GLU A 262 2.239 -17.015 -2.889 1.00 0.00 O ATOM 416 CB GLU A 262 3.297 -14.320 -1.209 1.00 0.00 C ATOM 417 CG GLU A 262 4.514 -13.392 -1.232 1.00 0.00 C ATOM 418 CD GLU A 262 4.987 -13.073 0.187 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.371 -12.095 0.760 1.00 0.00 O ATOM 420 OE2 GLU A 262 5.899 -13.736 0.700 1.00 0.00 O ATOM 0 H GLU A 262 1.930 -12.854 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 262 3.778 -15.047 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.466 -13.823 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.528 -15.215 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.323 -13.861 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.261 -12.468 -1.751 1.00 0.00 H new ATOM 428 N LEU A 263 0.647 -15.538 -2.259 1.00 0.00 N ATOM 429 CA LEU A 263 -0.350 -16.554 -1.965 1.00 0.00 C ATOM 430 C LEU A 263 -0.886 -17.134 -3.276 1.00 0.00 C ATOM 431 O LEU A 263 -1.363 -18.266 -3.308 1.00 0.00 O ATOM 432 CB LEU A 263 -1.440 -15.987 -1.052 1.00 0.00 C ATOM 433 CG LEU A 263 -1.055 -15.803 0.417 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.113 -14.989 1.163 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.791 -17.151 1.089 1.00 0.00 C ATOM 0 H LEU A 263 0.314 -14.577 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 263 0.100 -17.379 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.753 -15.021 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.306 -16.647 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.125 -15.236 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.815 -14.873 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.208 -14.006 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.071 -15.507 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.519 -16.990 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.690 -17.765 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.025 -17.660 0.576 1.00 0.00 H new