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 14:sc= 1.04 USER MOD Single : A 254 THR OG1 : rot 80:sc= 0.907 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.363 10.061 3.869 1.00 0.00 N ATOM 130 CA LEU A 245 -1.547 9.223 3.795 1.00 0.00 C ATOM 131 C LEU A 245 -1.446 8.314 2.568 1.00 0.00 C ATOM 132 O LEU A 245 -1.719 7.118 2.653 1.00 0.00 O ATOM 133 CB LEU A 245 -2.813 10.081 3.822 1.00 0.00 C ATOM 134 CG LEU A 245 -3.348 10.444 5.209 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.243 11.682 5.145 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.062 9.252 5.850 1.00 0.00 C ATOM 0 HA LEU A 245 -1.611 8.575 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.614 11.004 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.597 9.554 3.279 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.501 10.693 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.610 11.918 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.670 12.526 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.088 11.486 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.433 9.536 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.899 8.948 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.364 8.421 5.951 1.00 0.00 H new ATOM 148 N SER A 246 -1.054 8.917 1.454 1.00 0.00 N ATOM 149 CA SER A 246 -0.923 8.179 0.210 1.00 0.00 C ATOM 150 C SER A 246 0.049 7.012 0.394 1.00 0.00 C ATOM 151 O SER A 246 -0.158 5.934 -0.161 1.00 0.00 O ATOM 152 CB SER A 246 -0.448 9.091 -0.924 1.00 0.00 C ATOM 153 OG SER A 246 -1.313 10.208 -1.107 1.00 0.00 O ATOM 0 H SER A 246 -0.823 9.908 1.388 1.00 0.00 H new ATOM 0 HA SER A 246 -1.904 7.788 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.560 9.445 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.393 8.519 -1.850 1.00 0.00 H new ATOM 0 HG SER A 246 -0.975 10.767 -1.838 1.00 0.00 H new ATOM 159 N ILE A 247 1.089 7.266 1.176 1.00 0.00 N ATOM 160 CA ILE A 247 2.077 6.239 1.463 1.00 0.00 C ATOM 161 C ILE A 247 1.464 5.195 2.397 1.00 0.00 C ATOM 162 O ILE A 247 1.556 3.996 2.138 1.00 0.00 O ATOM 163 CB ILE A 247 3.361 6.872 2.004 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.942 7.875 1.006 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.378 5.796 2.394 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.346 8.314 1.425 1.00 0.00 C ATOM 0 H ILE A 247 1.269 8.167 1.619 1.00 0.00 H new ATOM 0 HA ILE A 247 2.365 5.718 0.550 1.00 0.00 H new ATOM 0 HB ILE A 247 3.114 7.427 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.978 7.426 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.290 8.746 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.282 6.271 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.952 5.155 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.626 5.195 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.736 9.027 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.302 8.784 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.002 7.444 1.468 1.00 0.00 H new ATOM 178 N SER A 248 0.853 5.686 3.465 1.00 0.00 N ATOM 179 CA SER A 248 0.312 4.809 4.488 1.00 0.00 C ATOM 180 C SER A 248 -0.656 3.806 3.858 1.00 0.00 C ATOM 181 O SER A 248 -0.819 2.695 4.359 1.00 0.00 O ATOM 182 CB SER A 248 -0.395 5.611 5.583 1.00 0.00 C ATOM 183 OG SER A 248 0.496 6.495 6.257 1.00 0.00 O ATOM 0 H SER A 248 0.721 6.681 3.644 1.00 0.00 H new ATOM 0 HA SER A 248 1.139 4.268 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.211 6.185 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.840 4.926 6.304 1.00 0.00 H new ATOM 0 HG SER A 248 0.006 6.990 6.947 1.00 0.00 H new ATOM 189 N VAL A 249 -1.273 4.233 2.765 1.00 0.00 N ATOM 190 CA VAL A 249 -2.288 3.422 2.113 1.00 0.00 C ATOM 191 C VAL A 249 -1.633 2.574 1.021 1.00 0.00 C ATOM 192 O VAL A 249 -1.724 1.348 1.045 1.00 0.00 O ATOM 193 CB VAL A 249 -3.410 4.316 1.583 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.354 3.529 0.672 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.178 4.972 2.732 1.00 0.00 C ATOM 0 H VAL A 249 -1.090 5.130 2.315 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.746 2.736 2.826 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.954 5.108 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.143 4.188 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.795 3.131 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.798 2.706 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -4.970 5.602 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.616 4.200 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.496 5.582 3.324 1.00 0.00 H new ATOM 205 N LEU A 250 -0.988 3.260 0.090 1.00 0.00 N ATOM 206 CA LEU A 250 -0.498 2.610 -1.113 1.00 0.00 C ATOM 207 C LEU A 250 0.582 1.593 -0.734 1.00 0.00 C ATOM 208 O LEU A 250 0.669 0.524 -1.334 1.00 0.00 O ATOM 209 CB LEU A 250 -0.031 3.652 -2.132 1.00 0.00 C ATOM 210 CG LEU A 250 -1.115 4.572 -2.696 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.498 5.756 -3.442 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.094 3.789 -3.575 1.00 0.00 C ATOM 0 H LEU A 250 -0.793 4.260 0.144 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.300 2.057 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.735 4.270 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.444 3.131 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.684 4.980 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.291 6.393 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.126 6.331 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.111 5.388 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.855 4.466 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.554 3.335 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.571 3.009 -2.982 1.00 0.00 H new ATOM 224 N LEU A 251 1.377 1.964 0.258 1.00 0.00 N ATOM 225 CA LEU A 251 2.471 1.116 0.697 1.00 0.00 C ATOM 226 C LEU A 251 1.905 -0.183 1.274 1.00 0.00 C ATOM 227 O LEU A 251 2.380 -1.270 0.948 1.00 0.00 O ATOM 228 CB LEU A 251 3.383 1.873 1.666 1.00 0.00 C ATOM 229 CG LEU A 251 4.837 1.402 1.729 1.00 0.00 C ATOM 230 CD1 LEU A 251 4.912 -0.105 1.982 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.600 1.811 0.467 1.00 0.00 C ATOM 0 H LEU A 251 1.285 2.841 0.771 1.00 0.00 H new ATOM 0 HA LEU A 251 3.102 0.842 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.376 2.928 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.956 1.801 2.666 1.00 0.00 H new ATOM 0 HG LEU A 251 5.322 1.895 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.956 -0.416 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.427 -0.339 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 251 4.407 -0.635 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.631 1.464 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.125 1.364 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.588 2.897 0.370 1.00 0.00 H new ATOM 243 N SER A 252 0.899 -0.026 2.121 1.00 0.00 N ATOM 244 CA SER A 252 0.237 -1.175 2.715 1.00 0.00 C ATOM 245 C SER A 252 -0.509 -1.965 1.638 1.00 0.00 C ATOM 246 O SER A 252 -0.643 -3.184 1.737 1.00 0.00 O ATOM 247 CB SER A 252 -0.730 -0.742 3.821 1.00 0.00 C ATOM 248 OG SER A 252 -1.589 0.312 3.396 1.00 0.00 O ATOM 0 H SER A 252 0.526 0.878 2.410 1.00 0.00 H new ATOM 0 HA SER A 252 0.998 -1.814 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.331 -1.596 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.162 -0.418 4.693 1.00 0.00 H new ATOM 0 HG SER A 252 -1.543 0.398 2.421 1.00 0.00 H new ATOM 254 N LEU A 253 -0.976 -1.239 0.633 1.00 0.00 N ATOM 255 CA LEU A 253 -1.678 -1.860 -0.476 1.00 0.00 C ATOM 256 C LEU A 253 -0.686 -2.670 -1.314 1.00 0.00 C ATOM 257 O LEU A 253 -1.025 -3.735 -1.826 1.00 0.00 O ATOM 258 CB LEU A 253 -2.447 -0.809 -1.279 1.00 0.00 C ATOM 259 CG LEU A 253 -3.763 -1.274 -1.905 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.555 -2.530 -2.754 1.00 0.00 C ATOM 261 CD2 LEU A 253 -4.838 -1.478 -0.834 1.00 0.00 C ATOM 0 H LEU A 253 -0.882 -0.226 0.564 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.429 -2.559 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.658 0.037 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.799 -0.442 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.118 -0.490 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.507 -2.838 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.845 -2.316 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.164 -3.332 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.763 -1.808 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.504 -2.233 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.013 -0.538 -0.311 1.00 0.00 H new ATOM 273 N THR A 254 0.521 -2.133 -1.426 1.00 0.00 N ATOM 274 CA THR A 254 1.557 -2.780 -2.212 1.00 0.00 C ATOM 275 C THR A 254 2.078 -4.024 -1.488 1.00 0.00 C ATOM 276 O THR A 254 2.389 -5.029 -2.123 1.00 0.00 O ATOM 277 CB THR A 254 2.645 -1.746 -2.504 1.00 0.00 C ATOM 278 OG1 THR A 254 2.017 -0.820 -3.386 1.00 0.00 O ATOM 279 CG2 THR A 254 3.798 -2.323 -3.327 1.00 0.00 C ATOM 0 H THR A 254 0.804 -1.258 -0.985 1.00 0.00 H new ATOM 0 HA THR A 254 1.165 -3.137 -3.164 1.00 0.00 H new ATOM 0 HB THR A 254 3.033 -1.353 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.454 -0.206 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.542 -1.547 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.257 -3.147 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.417 -2.687 -4.281 1.00 0.00 H new ATOM 287 N VAL A 255 2.156 -3.912 -0.171 1.00 0.00 N ATOM 288 CA VAL A 255 2.570 -5.036 0.652 1.00 0.00 C ATOM 289 C VAL A 255 1.503 -6.131 0.586 1.00 0.00 C ATOM 290 O VAL A 255 1.827 -7.311 0.462 1.00 0.00 O ATOM 291 CB VAL A 255 2.856 -4.564 2.079 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.888 -5.745 3.051 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.159 -3.765 2.141 1.00 0.00 C ATOM 0 H VAL A 255 1.940 -3.060 0.347 1.00 0.00 H new ATOM 0 HA VAL A 255 3.499 -5.464 0.274 1.00 0.00 H new ATOM 0 HB VAL A 255 2.044 -3.903 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.093 -5.382 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.924 -6.253 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.670 -6.442 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.339 -3.441 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.986 -4.392 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.082 -2.892 1.493 1.00 0.00 H new ATOM 303 N PHE A 256 0.253 -5.699 0.672 1.00 0.00 N ATOM 304 CA PHE A 256 -0.864 -6.623 0.585 1.00 0.00 C ATOM 305 C PHE A 256 -0.950 -7.250 -0.809 1.00 0.00 C ATOM 306 O PHE A 256 -1.286 -8.425 -0.945 1.00 0.00 O ATOM 307 CB PHE A 256 -2.136 -5.813 0.844 1.00 0.00 C ATOM 308 CG PHE A 256 -3.426 -6.630 0.747 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.553 -7.785 1.453 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.444 -6.203 -0.047 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.750 -8.545 1.362 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.641 -6.961 -0.137 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.768 -8.116 0.569 1.00 0.00 C ATOM 0 H PHE A 256 -0.010 -4.722 0.801 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.738 -7.427 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.074 -5.367 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.183 -4.992 0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.744 -8.125 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.342 -5.287 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.851 -9.463 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.450 -6.620 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.678 -8.693 0.500 1.00 0.00 H new ATOM 323 N LEU A 257 -0.635 -6.438 -1.808 1.00 0.00 N ATOM 324 CA LEU A 257 -0.598 -6.919 -3.178 1.00 0.00 C ATOM 325 C LEU A 257 0.526 -7.948 -3.322 1.00 0.00 C ATOM 326 O LEU A 257 0.366 -8.954 -4.012 1.00 0.00 O ATOM 327 CB LEU A 257 -0.484 -5.746 -4.155 1.00 0.00 C ATOM 328 CG LEU A 257 -0.546 -6.102 -5.642 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.955 -6.546 -6.040 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.044 -4.943 -6.505 1.00 0.00 C ATOM 0 H LEU A 257 -0.403 -5.451 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.530 -7.425 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.285 -5.039 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.457 -5.230 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 257 0.120 -6.946 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.972 -6.793 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.238 -7.423 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.660 -5.738 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.099 -5.223 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.664 -4.064 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.989 -4.716 -6.243 1.00 0.00 H new ATOM 342 N LEU A 258 1.636 -7.661 -2.660 1.00 0.00 N ATOM 343 CA LEU A 258 2.749 -8.595 -2.625 1.00 0.00 C ATOM 344 C LEU A 258 2.272 -9.929 -2.047 1.00 0.00 C ATOM 345 O LEU A 258 2.444 -10.976 -2.670 1.00 0.00 O ATOM 346 CB LEU A 258 3.934 -7.988 -1.871 1.00 0.00 C ATOM 347 CG LEU A 258 5.316 -8.533 -2.243 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.405 -7.492 -1.978 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.596 -9.852 -1.521 1.00 0.00 C ATOM 0 H LEU A 258 1.789 -6.795 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 258 3.110 -8.795 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.933 -6.911 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.779 -8.145 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 258 5.325 -8.743 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.377 -7.904 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.209 -6.601 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.407 -7.228 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.583 -10.218 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.562 -9.691 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.843 -10.588 -1.802 1.00 0.00 H new ATOM 361 N VAL A 259 1.682 -9.848 -0.864 1.00 0.00 N ATOM 362 CA VAL A 259 1.210 -11.040 -0.180 1.00 0.00 C ATOM 363 C VAL A 259 0.292 -11.830 -1.116 1.00 0.00 C ATOM 364 O VAL A 259 0.289 -13.059 -1.097 1.00 0.00 O ATOM 365 CB VAL A 259 0.532 -10.653 1.136 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.331 -11.801 1.665 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.565 -10.221 2.178 1.00 0.00 C ATOM 0 H VAL A 259 1.520 -8.975 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 259 2.047 -11.689 0.079 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.122 -9.803 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.802 -11.501 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.101 -12.044 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.295 -12.677 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 259 1.057 -9.951 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.255 -11.043 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.120 -9.360 1.805 1.00 0.00 H new ATOM 377 N ILE A 260 -0.465 -11.090 -1.913 1.00 0.00 N ATOM 378 CA ILE A 260 -1.396 -11.705 -2.843 1.00 0.00 C ATOM 379 C ILE A 260 -0.611 -12.409 -3.952 1.00 0.00 C ATOM 380 O ILE A 260 -1.002 -13.484 -4.407 1.00 0.00 O ATOM 381 CB ILE A 260 -2.398 -10.670 -3.361 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.479 -10.385 -2.316 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.996 -11.109 -4.699 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.334 -9.184 -2.727 1.00 0.00 C ATOM 0 H ILE A 260 -0.452 -10.070 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.991 -12.467 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.865 -9.736 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.113 -11.263 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.014 -10.191 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.705 -10.357 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.199 -11.222 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.511 -12.061 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.095 -9.002 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.700 -8.302 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.817 -9.391 -3.682 1.00 0.00 H new ATOM 396 N VAL A 261 0.480 -11.776 -4.355 1.00 0.00 N ATOM 397 CA VAL A 261 1.296 -12.305 -5.434 1.00 0.00 C ATOM 398 C VAL A 261 2.022 -13.561 -4.950 1.00 0.00 C ATOM 399 O VAL A 261 2.438 -14.391 -5.756 1.00 0.00 O ATOM 400 CB VAL A 261 2.251 -11.223 -5.947 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.350 -11.832 -6.820 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.488 -10.134 -6.705 1.00 0.00 C ATOM 0 H VAL A 261 0.818 -10.901 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 261 0.671 -12.596 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 261 2.728 -10.759 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.015 -11.043 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.921 -12.554 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.899 -12.334 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.189 -9.378 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.972 -10.577 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.759 -9.670 -6.040 1.00 0.00 H new ATOM 412 N GLU A 262 2.152 -13.661 -3.635 1.00 0.00 N ATOM 413 CA GLU A 262 2.693 -14.864 -3.026 1.00 0.00 C ATOM 414 C GLU A 262 1.655 -15.988 -3.055 1.00 0.00 C ATOM 415 O GLU A 262 1.979 -17.128 -3.384 1.00 0.00 O ATOM 416 CB GLU A 262 3.165 -14.589 -1.597 1.00 0.00 C ATOM 417 CG GLU A 262 4.102 -13.380 -1.550 1.00 0.00 C ATOM 418 CD GLU A 262 5.045 -13.372 -2.755 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.944 -14.297 -2.751 1.00 0.00 O ATOM 420 OE2 GLU A 262 4.911 -12.514 -3.642 1.00 0.00 O ATOM 0 H GLU A 262 1.892 -12.928 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 262 3.560 -15.183 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.303 -14.410 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.679 -15.467 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 262 3.516 -12.461 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.684 -13.401 -0.628 1.00 0.00 H new ATOM 428 N LEU A 263 0.430 -15.626 -2.704 1.00 0.00 N ATOM 429 CA LEU A 263 -0.618 -16.615 -2.523 1.00 0.00 C ATOM 430 C LEU A 263 -1.060 -17.142 -3.890 1.00 0.00 C ATOM 431 O LEU A 263 -1.219 -18.348 -4.074 1.00 0.00 O ATOM 432 CB LEU A 263 -1.764 -16.037 -1.689 1.00 0.00 C ATOM 433 CG LEU A 263 -1.467 -15.820 -0.204 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.519 -14.912 0.438 1.00 0.00 C ATOM 435 CD2 LEU A 263 -1.337 -17.155 0.532 1.00 0.00 C ATOM 0 H LEU A 263 0.140 -14.662 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 263 -0.241 -17.468 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -2.058 -15.082 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.622 -16.704 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.506 -15.312 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -2.285 -14.774 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.519 -13.944 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.503 -15.371 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -1.126 -16.971 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -2.269 -17.713 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -0.523 -17.734 0.095 1.00 0.00 H new