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= -0.0236 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot 107:sc= 1.23 USER MOD Single : A 254 THR OG1 : rot 81:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.384 9.992 3.963 1.00 0.00 N ATOM 130 CA LEU A 245 -1.597 9.207 3.809 1.00 0.00 C ATOM 131 C LEU A 245 -1.463 8.306 2.580 1.00 0.00 C ATOM 132 O LEU A 245 -1.723 7.106 2.655 1.00 0.00 O ATOM 133 CB LEU A 245 -2.824 10.120 3.771 1.00 0.00 C ATOM 134 CG LEU A 245 -3.404 10.521 5.130 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.266 11.778 5.008 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.172 9.358 5.761 1.00 0.00 C ATOM 0 HA LEU A 245 -1.740 8.554 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.560 11.028 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.605 9.622 3.197 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.577 10.762 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.666 12.041 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.658 12.601 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.089 11.589 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.574 9.668 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.991 9.064 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.499 8.512 5.903 1.00 0.00 H new ATOM 148 N SER A 246 -1.058 8.919 1.477 1.00 0.00 N ATOM 149 CA SER A 246 -0.947 8.200 0.219 1.00 0.00 C ATOM 150 C SER A 246 0.026 7.029 0.370 1.00 0.00 C ATOM 151 O SER A 246 -0.194 5.959 -0.194 1.00 0.00 O ATOM 152 CB SER A 246 -0.489 9.127 -0.907 1.00 0.00 C ATOM 153 OG SER A 246 0.928 9.278 -0.933 1.00 0.00 O ATOM 0 H SER A 246 -0.803 9.905 1.429 1.00 0.00 H new ATOM 0 HA SER A 246 -1.933 7.815 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.829 8.730 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.955 10.104 -0.784 1.00 0.00 H new ATOM 0 HG SER A 246 1.180 9.876 -1.667 1.00 0.00 H new ATOM 159 N ILE A 247 1.081 7.272 1.134 1.00 0.00 N ATOM 160 CA ILE A 247 2.081 6.247 1.377 1.00 0.00 C ATOM 161 C ILE A 247 1.486 5.163 2.277 1.00 0.00 C ATOM 162 O ILE A 247 1.601 3.973 1.983 1.00 0.00 O ATOM 163 CB ILE A 247 3.364 6.870 1.930 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.973 7.852 0.928 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.361 5.789 2.351 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.370 8.291 1.369 1.00 0.00 C ATOM 0 H ILE A 247 1.265 8.164 1.593 1.00 0.00 H new ATOM 0 HA ILE A 247 2.366 5.764 0.442 1.00 0.00 H new ATOM 0 HB ILE A 247 3.109 7.439 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.028 7.386 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.328 8.725 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.264 6.259 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.915 5.164 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.615 5.173 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.780 8.989 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.308 8.779 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.020 7.419 1.441 1.00 0.00 H new ATOM 178 N SER A 248 0.863 5.611 3.358 1.00 0.00 N ATOM 179 CA SER A 248 0.330 4.693 4.350 1.00 0.00 C ATOM 180 C SER A 248 -0.653 3.723 3.690 1.00 0.00 C ATOM 181 O SER A 248 -0.770 2.573 4.109 1.00 0.00 O ATOM 182 CB SER A 248 -0.356 5.450 5.488 1.00 0.00 C ATOM 183 OG SER A 248 0.567 6.238 6.237 1.00 0.00 O ATOM 0 H SER A 248 0.716 6.598 3.568 1.00 0.00 H new ATOM 0 HA SER A 248 1.160 4.128 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.134 6.094 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.848 4.739 6.152 1.00 0.00 H new ATOM 0 HG SER A 248 0.091 6.707 6.953 1.00 0.00 H new ATOM 189 N VAL A 249 -1.332 4.223 2.668 1.00 0.00 N ATOM 190 CA VAL A 249 -2.375 3.451 2.014 1.00 0.00 C ATOM 191 C VAL A 249 -1.757 2.610 0.897 1.00 0.00 C ATOM 192 O VAL A 249 -1.923 1.391 0.868 1.00 0.00 O ATOM 193 CB VAL A 249 -3.483 4.383 1.520 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.448 3.643 0.593 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.230 5.022 2.693 1.00 0.00 C ATOM 0 H VAL A 249 -1.180 5.153 2.277 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.840 2.762 2.719 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.015 5.184 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.226 4.328 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.903 3.261 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.904 2.812 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.012 5.679 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.680 4.241 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.532 5.601 3.297 1.00 0.00 H new ATOM 205 N LEU A 250 -1.059 3.293 0.002 1.00 0.00 N ATOM 206 CA LEU A 250 -0.575 2.660 -1.212 1.00 0.00 C ATOM 207 C LEU A 250 0.497 1.629 -0.852 1.00 0.00 C ATOM 208 O LEU A 250 0.565 0.562 -1.460 1.00 0.00 O ATOM 209 CB LEU A 250 -0.102 3.714 -2.214 1.00 0.00 C ATOM 210 CG LEU A 250 -1.180 4.657 -2.756 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.551 5.855 -3.470 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.163 3.906 -3.655 1.00 0.00 C ATOM 0 H LEU A 250 -0.817 4.280 0.094 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.382 2.121 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.673 4.315 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.362 3.202 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.749 5.047 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.338 6.509 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.077 6.407 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.057 5.504 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.918 4.599 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.626 3.469 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.647 3.114 -3.083 1.00 0.00 H new ATOM 224 N LEU A 251 1.307 1.985 0.133 1.00 0.00 N ATOM 225 CA LEU A 251 2.400 1.123 0.552 1.00 0.00 C ATOM 226 C LEU A 251 1.828 -0.165 1.149 1.00 0.00 C ATOM 227 O LEU A 251 2.318 -1.255 0.865 1.00 0.00 O ATOM 228 CB LEU A 251 3.344 1.873 1.494 1.00 0.00 C ATOM 229 CG LEU A 251 4.672 1.180 1.804 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.558 1.110 0.558 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.385 1.859 2.976 1.00 0.00 C ATOM 0 H LEU A 251 1.229 2.859 0.654 1.00 0.00 H new ATOM 0 HA LEU A 251 3.008 0.834 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.559 2.849 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.822 2.051 2.434 1.00 0.00 H new ATOM 0 HG LEU A 251 4.459 0.155 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.496 0.613 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 251 5.045 0.548 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.765 2.119 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.326 1.347 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.585 2.901 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.752 1.814 3.862 1.00 0.00 H new ATOM 243 N SER A 252 0.799 0.007 1.966 1.00 0.00 N ATOM 244 CA SER A 252 0.122 -1.131 2.564 1.00 0.00 C ATOM 245 C SER A 252 -0.615 -1.926 1.484 1.00 0.00 C ATOM 246 O SER A 252 -0.706 -3.150 1.564 1.00 0.00 O ATOM 247 CB SER A 252 -0.858 -0.680 3.651 1.00 0.00 C ATOM 248 OG SER A 252 -0.192 -0.029 4.731 1.00 0.00 O ATOM 0 H SER A 252 0.418 0.916 2.228 1.00 0.00 H new ATOM 0 HA SER A 252 0.872 -1.770 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.594 -0.003 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.404 -1.545 4.029 1.00 0.00 H new ATOM 0 HG SER A 252 -0.373 0.933 4.695 1.00 0.00 H new ATOM 254 N LEU A 253 -1.122 -1.199 0.501 1.00 0.00 N ATOM 255 CA LEU A 253 -1.847 -1.822 -0.595 1.00 0.00 C ATOM 256 C LEU A 253 -0.867 -2.614 -1.464 1.00 0.00 C ATOM 257 O LEU A 253 -1.220 -3.661 -2.004 1.00 0.00 O ATOM 258 CB LEU A 253 -2.650 -0.774 -1.369 1.00 0.00 C ATOM 259 CG LEU A 253 -3.748 -1.316 -2.288 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.989 -1.708 -1.484 1.00 0.00 C ATOM 261 CD2 LEU A 253 -4.075 -0.316 -3.398 1.00 0.00 C ATOM 0 H LEU A 253 -1.046 -0.184 0.439 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.580 -2.533 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -3.107 -0.093 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.957 -0.186 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 253 -3.377 -2.221 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.754 -2.090 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.725 -2.480 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.373 -0.834 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.858 -0.725 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.419 0.619 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.182 -0.128 -3.994 1.00 0.00 H new ATOM 273 N THR A 254 0.341 -2.083 -1.571 1.00 0.00 N ATOM 274 CA THR A 254 1.364 -2.711 -2.391 1.00 0.00 C ATOM 275 C THR A 254 1.931 -3.943 -1.684 1.00 0.00 C ATOM 276 O THR A 254 2.229 -4.949 -2.326 1.00 0.00 O ATOM 277 CB THR A 254 2.423 -1.655 -2.714 1.00 0.00 C ATOM 278 OG1 THR A 254 1.755 -0.747 -3.585 1.00 0.00 O ATOM 279 CG2 THR A 254 3.566 -2.214 -3.565 1.00 0.00 C ATOM 0 H THR A 254 0.635 -1.225 -1.104 1.00 0.00 H new ATOM 0 HA THR A 254 0.950 -3.076 -3.331 1.00 0.00 H new ATOM 0 HB THR A 254 2.825 -1.249 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.205 -0.132 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.290 -1.424 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.055 -3.027 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.168 -2.589 -4.508 1.00 0.00 H new ATOM 287 N VAL A 255 2.061 -3.825 -0.371 1.00 0.00 N ATOM 288 CA VAL A 255 2.516 -4.943 0.440 1.00 0.00 C ATOM 289 C VAL A 255 1.463 -6.053 0.404 1.00 0.00 C ATOM 290 O VAL A 255 1.801 -7.231 0.289 1.00 0.00 O ATOM 291 CB VAL A 255 2.833 -4.466 1.858 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.888 -5.644 2.833 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.138 -3.668 1.888 1.00 0.00 C ATOM 0 H VAL A 255 1.859 -2.973 0.152 1.00 0.00 H new ATOM 0 HA VAL A 255 3.440 -5.357 0.037 1.00 0.00 H new ATOM 0 HB VAL A 255 2.028 -3.804 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.115 -5.277 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.924 -6.153 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.664 -6.342 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.341 -3.340 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.957 -4.297 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.047 -2.797 1.238 1.00 0.00 H new ATOM 303 N PHE A 256 0.208 -5.639 0.505 1.00 0.00 N ATOM 304 CA PHE A 256 -0.898 -6.579 0.435 1.00 0.00 C ATOM 305 C PHE A 256 -0.977 -7.231 -0.947 1.00 0.00 C ATOM 306 O PHE A 256 -1.279 -8.418 -1.061 1.00 0.00 O ATOM 307 CB PHE A 256 -2.179 -5.782 0.685 1.00 0.00 C ATOM 308 CG PHE A 256 -3.458 -6.617 0.606 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.567 -7.761 1.334 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.485 -6.218 -0.192 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.755 -8.538 1.261 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.671 -6.994 -0.264 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.781 -8.137 0.464 1.00 0.00 C ATOM 0 H PHE A 256 -0.067 -4.665 0.635 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.761 -7.370 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.120 -5.319 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.240 -4.974 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.752 -8.079 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.398 -5.310 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.843 -9.447 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.486 -6.677 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.684 -8.727 0.409 1.00 0.00 H new ATOM 323 N LEU A 257 -0.700 -6.425 -1.962 1.00 0.00 N ATOM 324 CA LEU A 257 -0.644 -6.930 -3.323 1.00 0.00 C ATOM 325 C LEU A 257 0.486 -7.955 -3.436 1.00 0.00 C ATOM 326 O LEU A 257 0.325 -8.995 -4.071 1.00 0.00 O ATOM 327 CB LEU A 257 -0.528 -5.774 -4.319 1.00 0.00 C ATOM 328 CG LEU A 257 -0.603 -6.155 -5.800 1.00 0.00 C ATOM 329 CD1 LEU A 257 0.761 -6.619 -6.316 1.00 0.00 C ATOM 330 CD2 LEU A 257 -1.695 -7.199 -6.043 1.00 0.00 C ATOM 0 H LEU A 257 -0.512 -5.427 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.570 -7.447 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.322 -5.057 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.418 -5.262 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.876 -5.266 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 257 0.680 -6.884 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 257 1.487 -5.815 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 257 1.088 -7.489 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -1.727 -7.452 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.477 -8.095 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -2.660 -6.794 -5.737 1.00 0.00 H new ATOM 342 N LEU A 258 1.607 -7.625 -2.810 1.00 0.00 N ATOM 343 CA LEU A 258 2.736 -8.539 -2.761 1.00 0.00 C ATOM 344 C LEU A 258 2.292 -9.854 -2.116 1.00 0.00 C ATOM 345 O LEU A 258 2.524 -10.928 -2.668 1.00 0.00 O ATOM 346 CB LEU A 258 3.927 -7.881 -2.064 1.00 0.00 C ATOM 347 CG LEU A 258 5.309 -8.240 -2.614 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.411 -7.497 -1.857 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.527 -9.755 -2.601 1.00 0.00 C ATOM 0 H LEU A 258 1.757 -6.736 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 258 3.079 -8.778 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.804 -6.799 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.898 -8.149 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 258 5.358 -7.915 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.383 -7.770 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.263 -6.422 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.374 -7.768 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.517 -9.984 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.451 -10.125 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.769 -10.237 -3.219 1.00 0.00 H new ATOM 361 N VAL A 259 1.664 -9.724 -0.958 1.00 0.00 N ATOM 362 CA VAL A 259 1.207 -10.891 -0.221 1.00 0.00 C ATOM 363 C VAL A 259 0.321 -11.746 -1.129 1.00 0.00 C ATOM 364 O VAL A 259 0.395 -12.974 -1.097 1.00 0.00 O ATOM 365 CB VAL A 259 0.500 -10.454 1.065 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.360 -11.587 1.629 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.508 -9.961 2.103 1.00 0.00 C ATOM 0 H VAL A 259 1.460 -8.830 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 259 2.053 -11.507 0.082 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.161 -9.623 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.851 -11.251 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.114 -11.872 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.272 -12.447 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.980 -9.657 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.205 -10.764 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.058 -9.111 1.700 1.00 0.00 H new ATOM 377 N ILE A 260 -0.498 -11.066 -1.916 1.00 0.00 N ATOM 378 CA ILE A 260 -1.430 -11.747 -2.798 1.00 0.00 C ATOM 379 C ILE A 260 -0.646 -12.516 -3.863 1.00 0.00 C ATOM 380 O ILE A 260 -1.004 -13.641 -4.210 1.00 0.00 O ATOM 381 CB ILE A 260 -2.445 -10.757 -3.374 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.529 -10.423 -2.348 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.038 -11.282 -4.684 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.418 -9.281 -2.842 1.00 0.00 C ATOM 0 H ILE A 260 -0.536 -10.048 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 260 -2.016 -12.479 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.924 -9.828 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.138 -11.306 -2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.066 -10.145 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.756 -10.560 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.240 -11.428 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.541 -12.232 -4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.180 -9.064 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.809 -8.392 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.899 -9.572 -3.776 1.00 0.00 H new ATOM 396 N VAL A 261 0.406 -11.878 -4.353 1.00 0.00 N ATOM 397 CA VAL A 261 1.199 -12.457 -5.424 1.00 0.00 C ATOM 398 C VAL A 261 2.000 -13.641 -4.879 1.00 0.00 C ATOM 399 O VAL A 261 2.406 -14.522 -5.635 1.00 0.00 O ATOM 400 CB VAL A 261 2.082 -11.381 -6.061 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.206 -12.012 -6.887 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.249 -10.421 -6.914 1.00 0.00 C ATOM 0 H VAL A 261 0.728 -10.966 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 261 0.552 -12.839 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 261 2.539 -10.804 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.818 -11.226 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.825 -12.635 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.776 -12.625 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.901 -9.667 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.751 -10.978 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.501 -9.934 -6.288 1.00 0.00 H new ATOM 412 N GLU A 262 2.203 -13.624 -3.570 1.00 0.00 N ATOM 413 CA GLU A 262 2.902 -14.711 -2.907 1.00 0.00 C ATOM 414 C GLU A 262 1.974 -15.916 -2.738 1.00 0.00 C ATOM 415 O GLU A 262 2.402 -17.059 -2.881 1.00 0.00 O ATOM 416 CB GLU A 262 3.465 -14.259 -1.557 1.00 0.00 C ATOM 417 CG GLU A 262 4.678 -13.347 -1.747 1.00 0.00 C ATOM 418 CD GLU A 262 5.233 -12.884 -0.399 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.544 -12.164 0.341 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.424 -13.298 -0.126 1.00 0.00 O ATOM 0 H GLU A 262 1.895 -12.874 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 262 3.743 -15.010 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.694 -13.732 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.749 -15.130 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.453 -13.877 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.396 -12.480 -2.345 1.00 0.00 H new ATOM 428 N LEU A 263 0.719 -15.616 -2.435 1.00 0.00 N ATOM 429 CA LEU A 263 -0.230 -16.654 -2.069 1.00 0.00 C ATOM 430 C LEU A 263 -0.882 -17.212 -3.334 1.00 0.00 C ATOM 431 O LEU A 263 -1.282 -18.375 -3.371 1.00 0.00 O ATOM 432 CB LEU A 263 -1.233 -16.124 -1.042 1.00 0.00 C ATOM 433 CG LEU A 263 -2.137 -17.170 -0.386 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.450 -16.793 1.064 1.00 0.00 C ATOM 435 CD2 LEU A 263 -3.408 -17.390 -1.208 1.00 0.00 C ATOM 0 H LEU A 263 0.338 -14.670 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 263 0.282 -17.484 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -0.681 -15.607 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -1.864 -15.382 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 263 -1.600 -18.118 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.094 -17.553 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -1.522 -16.728 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.958 -15.829 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -4.032 -18.138 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.958 -16.452 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -3.140 -17.737 -2.206 1.00 0.00 H new