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 -22:sc= 1.08 USER MOD Single : A 254 THR OG1 : rot 81:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.449 9.967 3.951 1.00 0.00 N ATOM 130 CA LEU A 245 -1.657 9.172 3.814 1.00 0.00 C ATOM 131 C LEU A 245 -1.553 8.304 2.558 1.00 0.00 C ATOM 132 O LEU A 245 -1.875 7.118 2.590 1.00 0.00 O ATOM 133 CB LEU A 245 -2.896 10.070 3.840 1.00 0.00 C ATOM 134 CG LEU A 245 -3.656 10.127 5.166 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.265 8.766 5.508 1.00 0.00 C ATOM 136 CD2 LEU A 245 -2.760 10.652 6.290 1.00 0.00 C ATOM 0 HA LEU A 245 -1.764 8.495 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.592 11.083 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.583 9.730 3.065 1.00 0.00 H new ATOM 0 HG LEU A 245 -4.481 10.831 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.800 8.834 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -4.958 8.469 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -3.472 8.023 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -3.325 10.682 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -1.900 9.992 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -2.415 11.656 6.042 1.00 0.00 H new ATOM 148 N SER A 246 -1.101 8.930 1.481 1.00 0.00 N ATOM 149 CA SER A 246 -0.979 8.238 0.209 1.00 0.00 C ATOM 150 C SER A 246 -0.002 7.067 0.341 1.00 0.00 C ATOM 151 O SER A 246 -0.220 6.005 -0.240 1.00 0.00 O ATOM 152 CB SER A 246 -0.517 9.192 -0.894 1.00 0.00 C ATOM 153 OG SER A 246 -1.466 10.227 -1.136 1.00 0.00 O ATOM 0 H SER A 246 -0.815 9.909 1.463 1.00 0.00 H new ATOM 0 HA SER A 246 -1.961 7.854 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.439 9.635 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.351 8.630 -1.813 1.00 0.00 H new ATOM 0 HG SER A 246 -1.134 10.816 -1.845 1.00 0.00 H new ATOM 159 N ILE A 247 1.051 7.300 1.109 1.00 0.00 N ATOM 160 CA ILE A 247 2.040 6.267 1.359 1.00 0.00 C ATOM 161 C ILE A 247 1.424 5.181 2.245 1.00 0.00 C ATOM 162 O ILE A 247 1.530 3.993 1.943 1.00 0.00 O ATOM 163 CB ILE A 247 3.321 6.875 1.932 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.953 7.855 0.941 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.301 5.783 2.362 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.356 8.263 1.394 1.00 0.00 C ATOM 0 H ILE A 247 1.241 8.191 1.567 1.00 0.00 H new ATOM 0 HA ILE A 247 2.334 5.789 0.425 1.00 0.00 H new ATOM 0 HB ILE A 247 3.060 7.443 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.005 7.397 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.325 8.741 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.203 6.242 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.838 5.159 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.561 5.168 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.783 8.960 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.298 8.743 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.988 7.378 1.462 1.00 0.00 H new ATOM 178 N SER A 248 0.793 5.628 3.321 1.00 0.00 N ATOM 179 CA SER A 248 0.229 4.710 4.294 1.00 0.00 C ATOM 180 C SER A 248 -0.735 3.743 3.605 1.00 0.00 C ATOM 181 O SER A 248 -0.848 2.585 4.002 1.00 0.00 O ATOM 182 CB SER A 248 -0.487 5.465 5.415 1.00 0.00 C ATOM 183 OG SER A 248 0.427 6.170 6.253 1.00 0.00 O ATOM 0 H SER A 248 0.660 6.615 3.540 1.00 0.00 H new ATOM 0 HA SER A 248 1.046 4.142 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.198 6.168 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.062 4.761 6.017 1.00 0.00 H new ATOM 0 HG SER A 248 -0.069 6.640 6.955 1.00 0.00 H new ATOM 189 N VAL A 249 -1.408 4.255 2.584 1.00 0.00 N ATOM 190 CA VAL A 249 -2.421 3.479 1.890 1.00 0.00 C ATOM 191 C VAL A 249 -1.751 2.629 0.808 1.00 0.00 C ATOM 192 O VAL A 249 -1.864 1.405 0.817 1.00 0.00 O ATOM 193 CB VAL A 249 -3.503 4.407 1.336 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.399 3.670 0.339 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.330 5.021 2.467 1.00 0.00 C ATOM 0 H VAL A 249 -1.271 5.198 2.221 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.919 2.797 2.579 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.008 5.219 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.160 4.352 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.795 3.303 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.882 2.829 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.092 5.677 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.810 4.227 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.678 5.597 3.123 1.00 0.00 H new ATOM 205 N LEU A 250 -1.069 3.313 -0.099 1.00 0.00 N ATOM 206 CA LEU A 250 -0.549 2.663 -1.290 1.00 0.00 C ATOM 207 C LEU A 250 0.503 1.628 -0.884 1.00 0.00 C ATOM 208 O LEU A 250 0.549 0.534 -1.444 1.00 0.00 O ATOM 209 CB LEU A 250 -0.034 3.704 -2.286 1.00 0.00 C ATOM 210 CG LEU A 250 -1.087 4.647 -2.876 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.428 5.835 -3.578 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.042 3.890 -3.802 1.00 0.00 C ATOM 0 H LEU A 250 -0.865 4.310 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.343 2.125 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.728 4.306 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.457 3.181 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.683 5.049 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.198 6.488 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.176 6.391 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.208 5.473 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.780 4.582 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.477 3.441 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.550 3.107 -3.239 1.00 0.00 H new ATOM 224 N LEU A 251 1.321 2.012 0.085 1.00 0.00 N ATOM 225 CA LEU A 251 2.412 1.158 0.524 1.00 0.00 C ATOM 226 C LEU A 251 1.841 -0.140 1.096 1.00 0.00 C ATOM 227 O LEU A 251 2.302 -1.229 0.758 1.00 0.00 O ATOM 228 CB LEU A 251 3.321 1.912 1.497 1.00 0.00 C ATOM 229 CG LEU A 251 4.638 1.220 1.857 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.548 1.102 0.631 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.332 1.931 3.020 1.00 0.00 C ATOM 0 H LEU A 251 1.250 2.902 0.578 1.00 0.00 H new ATOM 0 HA LEU A 251 3.044 0.882 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.551 2.887 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.765 2.093 2.417 1.00 0.00 H new ATOM 0 HG LEU A 251 4.412 0.207 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.477 0.607 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 251 5.046 0.518 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.770 2.097 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.265 1.419 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.545 2.963 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.681 1.919 3.894 1.00 0.00 H new ATOM 243 N SER A 252 0.843 0.018 1.954 1.00 0.00 N ATOM 244 CA SER A 252 0.213 -1.128 2.587 1.00 0.00 C ATOM 245 C SER A 252 -0.553 -1.945 1.544 1.00 0.00 C ATOM 246 O SER A 252 -0.660 -3.165 1.661 1.00 0.00 O ATOM 247 CB SER A 252 -0.729 -0.689 3.710 1.00 0.00 C ATOM 248 OG SER A 252 -1.826 0.075 3.220 1.00 0.00 O ATOM 0 H SER A 252 0.456 0.922 2.225 1.00 0.00 H new ATOM 0 HA SER A 252 0.994 -1.748 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.105 -1.569 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.173 -0.099 4.439 1.00 0.00 H new ATOM 0 HG SER A 252 -1.592 0.465 2.352 1.00 0.00 H new ATOM 254 N LEU A 253 -1.067 -1.240 0.546 1.00 0.00 N ATOM 255 CA LEU A 253 -1.765 -1.892 -0.548 1.00 0.00 C ATOM 256 C LEU A 253 -0.767 -2.715 -1.366 1.00 0.00 C ATOM 257 O LEU A 253 -1.079 -3.824 -1.798 1.00 0.00 O ATOM 258 CB LEU A 253 -2.540 -0.864 -1.377 1.00 0.00 C ATOM 259 CG LEU A 253 -3.789 -1.384 -2.091 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.579 -0.233 -2.718 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.426 -2.458 -3.120 1.00 0.00 C ATOM 0 H LEU A 253 -1.014 -0.224 0.473 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.512 -2.586 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.835 -0.045 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.866 -0.446 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.436 -1.854 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.462 -0.629 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.886 0.464 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.952 0.286 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.332 -2.811 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -2.749 -2.036 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -2.938 -3.293 -2.618 1.00 0.00 H new ATOM 273 N THR A 254 0.411 -2.139 -1.556 1.00 0.00 N ATOM 274 CA THR A 254 1.439 -2.784 -2.357 1.00 0.00 C ATOM 275 C THR A 254 2.025 -3.983 -1.607 1.00 0.00 C ATOM 276 O THR A 254 2.328 -5.009 -2.212 1.00 0.00 O ATOM 277 CB THR A 254 2.481 -1.727 -2.725 1.00 0.00 C ATOM 278 OG1 THR A 254 1.771 -0.813 -3.555 1.00 0.00 O ATOM 279 CG2 THR A 254 3.579 -2.282 -3.636 1.00 0.00 C ATOM 0 H THR A 254 0.677 -1.233 -1.170 1.00 0.00 H new ATOM 0 HA THR A 254 1.027 -3.190 -3.281 1.00 0.00 H new ATOM 0 HB THR A 254 2.930 -1.327 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.253 -0.198 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.293 -1.492 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.093 -3.099 -3.130 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.133 -2.651 -4.560 1.00 0.00 H new ATOM 287 N VAL A 255 2.167 -3.811 -0.301 1.00 0.00 N ATOM 288 CA VAL A 255 2.661 -4.884 0.545 1.00 0.00 C ATOM 289 C VAL A 255 1.643 -6.027 0.557 1.00 0.00 C ATOM 290 O VAL A 255 2.016 -7.195 0.476 1.00 0.00 O ATOM 291 CB VAL A 255 2.973 -4.346 1.943 1.00 0.00 C ATOM 292 CG1 VAL A 255 3.076 -5.487 2.958 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.250 -3.503 1.934 1.00 0.00 C ATOM 0 H VAL A 255 1.949 -2.945 0.192 1.00 0.00 H new ATOM 0 HA VAL A 255 3.595 -5.284 0.150 1.00 0.00 H new ATOM 0 HB VAL A 255 2.148 -3.701 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.298 -5.078 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 255 2.130 -6.028 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.873 -6.169 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.449 -3.133 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 255 5.088 -4.115 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.124 -2.659 1.255 1.00 0.00 H new ATOM 303 N PHE A 256 0.378 -5.649 0.660 1.00 0.00 N ATOM 304 CA PHE A 256 -0.700 -6.621 0.612 1.00 0.00 C ATOM 305 C PHE A 256 -0.781 -7.283 -0.764 1.00 0.00 C ATOM 306 O PHE A 256 -1.053 -8.479 -0.867 1.00 0.00 O ATOM 307 CB PHE A 256 -2.001 -5.862 0.878 1.00 0.00 C ATOM 308 CG PHE A 256 -3.265 -6.696 0.665 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.576 -7.695 1.535 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.078 -6.442 -0.395 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.748 -8.470 1.337 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.251 -7.218 -0.593 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.561 -8.215 0.276 1.00 0.00 C ATOM 0 H PHE A 256 0.075 -4.682 0.777 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.528 -7.403 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -1.991 -5.493 1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.040 -4.990 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.930 -7.898 2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -3.832 -5.650 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.995 -9.262 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -5.897 -7.015 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.453 -8.805 0.125 1.00 0.00 H new ATOM 323 N LEU A 257 -0.543 -6.477 -1.788 1.00 0.00 N ATOM 324 CA LEU A 257 -0.533 -6.980 -3.150 1.00 0.00 C ATOM 325 C LEU A 257 0.647 -7.939 -3.327 1.00 0.00 C ATOM 326 O LEU A 257 0.555 -8.910 -4.077 1.00 0.00 O ATOM 327 CB LEU A 257 -0.538 -5.822 -4.150 1.00 0.00 C ATOM 328 CG LEU A 257 -0.730 -6.204 -5.620 1.00 0.00 C ATOM 329 CD1 LEU A 257 -2.159 -6.683 -5.879 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.335 -5.050 -6.542 1.00 0.00 C ATOM 0 H LEU A 257 -0.355 -5.478 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.441 -7.549 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.331 -5.129 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.405 -5.283 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.066 -7.038 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -2.269 -6.948 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.368 -7.556 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.860 -5.887 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.481 -5.348 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.955 -4.181 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.713 -4.798 -6.381 1.00 0.00 H new ATOM 342 N LEU A 258 1.727 -7.633 -2.624 1.00 0.00 N ATOM 343 CA LEU A 258 2.871 -8.527 -2.582 1.00 0.00 C ATOM 344 C LEU A 258 2.442 -9.870 -1.987 1.00 0.00 C ATOM 345 O LEU A 258 2.689 -10.922 -2.576 1.00 0.00 O ATOM 346 CB LEU A 258 4.038 -7.870 -1.841 1.00 0.00 C ATOM 347 CG LEU A 258 5.439 -8.305 -2.277 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.515 -7.505 -1.542 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.625 -9.814 -2.102 1.00 0.00 C ATOM 0 H LEU A 258 1.834 -6.778 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 258 3.236 -8.727 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.959 -6.790 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.930 -8.077 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 258 5.548 -8.089 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.501 -7.834 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.394 -6.444 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.418 -7.666 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.629 -10.096 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.488 -10.078 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.891 -10.344 -2.709 1.00 0.00 H new ATOM 361 N VAL A 259 1.807 -9.792 -0.828 1.00 0.00 N ATOM 362 CA VAL A 259 1.319 -10.985 -0.158 1.00 0.00 C ATOM 363 C VAL A 259 0.403 -11.760 -1.109 1.00 0.00 C ATOM 364 O VAL A 259 0.436 -12.988 -1.146 1.00 0.00 O ATOM 365 CB VAL A 259 0.633 -10.606 1.155 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.199 -11.771 1.696 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.655 -10.134 2.192 1.00 0.00 C ATOM 0 H VAL A 259 1.619 -8.919 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 259 2.149 -11.642 0.103 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.045 -9.777 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.676 -11.475 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -0.964 -12.041 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.449 -12.629 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 259 1.141 -9.871 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.369 -10.934 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.184 -9.261 1.810 1.00 0.00 H new ATOM 377 N ILE A 260 -0.392 -11.007 -1.856 1.00 0.00 N ATOM 378 CA ILE A 260 -1.383 -11.607 -2.733 1.00 0.00 C ATOM 379 C ILE A 260 -0.673 -12.401 -3.831 1.00 0.00 C ATOM 380 O ILE A 260 -1.034 -13.545 -4.107 1.00 0.00 O ATOM 381 CB ILE A 260 -2.341 -10.542 -3.268 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.327 -10.096 -2.184 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.057 -11.030 -4.527 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.504 -11.068 -2.082 1.00 0.00 C ATOM 0 H ILE A 260 -0.370 -9.987 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 260 -2.003 -12.312 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.755 -9.667 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -2.815 -10.037 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.695 -9.096 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.732 -10.253 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.322 -11.257 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.629 -11.929 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.190 -10.729 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -5.028 -11.106 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.134 -12.062 -1.831 1.00 0.00 H new ATOM 396 N VAL A 261 0.324 -11.766 -4.426 1.00 0.00 N ATOM 397 CA VAL A 261 1.096 -12.402 -5.479 1.00 0.00 C ATOM 398 C VAL A 261 1.817 -13.625 -4.907 1.00 0.00 C ATOM 399 O VAL A 261 2.124 -14.567 -5.637 1.00 0.00 O ATOM 400 CB VAL A 261 2.051 -11.390 -6.115 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.111 -12.093 -6.964 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.282 -10.357 -6.943 1.00 0.00 C ATOM 0 H VAL A 261 0.616 -10.815 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 261 0.439 -12.752 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 261 2.563 -10.862 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.776 -11.350 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.689 -12.771 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.624 -12.660 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.984 -9.649 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.731 -10.863 -7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.583 -9.822 -6.300 1.00 0.00 H new ATOM 412 N GLU A 262 2.066 -13.571 -3.608 1.00 0.00 N ATOM 413 CA GLU A 262 2.686 -14.690 -2.917 1.00 0.00 C ATOM 414 C GLU A 262 1.722 -15.875 -2.851 1.00 0.00 C ATOM 415 O GLU A 262 2.129 -17.023 -3.024 1.00 0.00 O ATOM 416 CB GLU A 262 3.150 -14.281 -1.517 1.00 0.00 C ATOM 417 CG GLU A 262 4.576 -13.727 -1.552 1.00 0.00 C ATOM 418 CD GLU A 262 4.980 -13.341 -2.976 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.383 -12.427 -3.564 1.00 0.00 O ATOM 420 OE2 GLU A 262 5.954 -14.027 -3.472 1.00 0.00 O ATOM 0 H GLU A 262 1.850 -12.770 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 262 3.567 -14.996 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.474 -13.529 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.107 -15.142 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 262 4.647 -12.856 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 262 5.269 -14.473 -1.163 1.00 0.00 H new ATOM 428 N LEU A 263 0.460 -15.557 -2.601 1.00 0.00 N ATOM 429 CA LEU A 263 -0.538 -16.586 -2.361 1.00 0.00 C ATOM 430 C LEU A 263 -1.055 -17.111 -3.701 1.00 0.00 C ATOM 431 O LEU A 263 -1.499 -18.254 -3.794 1.00 0.00 O ATOM 432 CB LEU A 263 -1.640 -16.057 -1.441 1.00 0.00 C ATOM 433 CG LEU A 263 -2.194 -17.052 -0.418 1.00 0.00 C ATOM 434 CD1 LEU A 263 -3.041 -16.340 0.637 1.00 0.00 C ATOM 435 CD2 LEU A 263 -2.966 -18.178 -1.109 1.00 0.00 C ATOM 0 H LEU A 263 0.106 -14.601 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 263 -0.095 -17.433 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.253 -15.191 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.465 -15.705 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 263 -1.353 -17.511 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.422 -17.070 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.429 -15.606 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.877 -15.836 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -3.348 -18.870 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.799 -17.756 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -2.301 -18.711 -1.789 1.00 0.00 H new