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 116:sc= 1.24 USER MOD Single : A 254 THR OG1 : rot 79:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.336 10.024 3.743 1.00 0.00 N ATOM 130 CA LEU A 245 -1.496 9.151 3.699 1.00 0.00 C ATOM 131 C LEU A 245 -1.434 8.289 2.436 1.00 0.00 C ATOM 132 O LEU A 245 -1.716 7.093 2.482 1.00 0.00 O ATOM 133 CB LEU A 245 -2.786 9.965 3.822 1.00 0.00 C ATOM 134 CG LEU A 245 -3.310 10.180 5.244 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.262 11.376 5.302 1.00 0.00 C ATOM 136 CD2 LEU A 245 -3.956 8.905 5.787 1.00 0.00 C ATOM 0 HA LEU A 245 -1.491 8.472 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.621 10.941 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.563 9.468 3.241 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.463 10.412 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.620 11.507 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.736 12.276 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.110 11.199 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.320 9.084 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.790 8.618 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.219 8.102 5.804 1.00 0.00 H new ATOM 148 N SER A 246 -1.062 8.931 1.337 1.00 0.00 N ATOM 149 CA SER A 246 -0.941 8.235 0.068 1.00 0.00 C ATOM 150 C SER A 246 0.005 7.041 0.214 1.00 0.00 C ATOM 151 O SER A 246 -0.227 5.985 -0.374 1.00 0.00 O ATOM 152 CB SER A 246 -0.444 9.175 -1.031 1.00 0.00 C ATOM 153 OG SER A 246 0.879 9.641 -0.777 1.00 0.00 O ATOM 0 H SER A 246 -0.841 9.926 1.300 1.00 0.00 H new ATOM 0 HA SER A 246 -1.929 7.875 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.468 8.657 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 246 -1.119 10.027 -1.112 1.00 0.00 H new ATOM 0 HG SER A 246 1.161 10.237 -1.502 1.00 0.00 H new ATOM 159 N ILE A 247 1.052 7.249 1.000 1.00 0.00 N ATOM 160 CA ILE A 247 2.027 6.198 1.239 1.00 0.00 C ATOM 161 C ILE A 247 1.421 5.150 2.175 1.00 0.00 C ATOM 162 O ILE A 247 1.520 3.952 1.915 1.00 0.00 O ATOM 163 CB ILE A 247 3.340 6.795 1.752 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.873 7.858 0.789 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.371 5.697 2.022 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.280 8.306 1.191 1.00 0.00 C ATOM 0 H ILE A 247 1.246 8.129 1.479 1.00 0.00 H new ATOM 0 HA ILE A 247 2.276 5.688 0.308 1.00 0.00 H new ATOM 0 HB ILE A 247 3.142 7.292 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.890 7.459 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.202 8.717 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.295 6.147 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.982 5.010 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.571 5.151 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.635 9.062 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.255 8.727 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.954 7.449 1.173 1.00 0.00 H new ATOM 178 N SER A 248 0.808 5.638 3.242 1.00 0.00 N ATOM 179 CA SER A 248 0.248 4.757 4.252 1.00 0.00 C ATOM 180 C SER A 248 -0.725 3.771 3.604 1.00 0.00 C ATOM 181 O SER A 248 -0.881 2.645 4.076 1.00 0.00 O ATOM 182 CB SER A 248 -0.457 5.556 5.349 1.00 0.00 C ATOM 183 OG SER A 248 0.364 6.602 5.861 1.00 0.00 O ATOM 0 H SER A 248 0.687 6.633 3.430 1.00 0.00 H new ATOM 0 HA SER A 248 1.065 4.201 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.379 5.981 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.738 4.886 6.161 1.00 0.00 H new ATOM 0 HG SER A 248 -0.123 7.089 6.558 1.00 0.00 H new ATOM 189 N VAL A 249 -1.355 4.227 2.532 1.00 0.00 N ATOM 190 CA VAL A 249 -2.374 3.433 1.867 1.00 0.00 C ATOM 191 C VAL A 249 -1.721 2.587 0.773 1.00 0.00 C ATOM 192 O VAL A 249 -1.833 1.363 0.781 1.00 0.00 O ATOM 193 CB VAL A 249 -3.484 4.343 1.337 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.429 3.575 0.412 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.253 4.997 2.486 1.00 0.00 C ATOM 0 H VAL A 249 -1.179 5.137 2.107 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.844 2.747 2.572 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.016 5.136 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.208 4.246 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.868 3.180 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.886 2.751 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.036 5.638 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.703 4.224 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.569 5.595 3.088 1.00 0.00 H new ATOM 205 N LEU A 250 -1.053 3.273 -0.142 1.00 0.00 N ATOM 206 CA LEU A 250 -0.558 2.629 -1.347 1.00 0.00 C ATOM 207 C LEU A 250 0.508 1.599 -0.967 1.00 0.00 C ATOM 208 O LEU A 250 0.564 0.515 -1.545 1.00 0.00 O ATOM 209 CB LEU A 250 -0.072 3.674 -2.353 1.00 0.00 C ATOM 210 CG LEU A 250 -1.145 4.597 -2.933 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.513 5.788 -3.656 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.105 3.821 -3.838 1.00 0.00 C ATOM 0 H LEU A 250 -0.843 4.269 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.361 2.089 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.686 4.290 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.417 3.155 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.733 4.997 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.298 6.428 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.096 6.358 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.115 5.428 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.858 4.501 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.548 3.373 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.594 3.036 -3.261 1.00 0.00 H new ATOM 224 N LEU A 251 1.328 1.974 0.004 1.00 0.00 N ATOM 225 CA LEU A 251 2.411 1.112 0.443 1.00 0.00 C ATOM 226 C LEU A 251 1.827 -0.156 1.069 1.00 0.00 C ATOM 227 O LEU A 251 2.293 -1.260 0.793 1.00 0.00 O ATOM 228 CB LEU A 251 3.361 1.874 1.370 1.00 0.00 C ATOM 229 CG LEU A 251 4.815 1.396 1.381 1.00 0.00 C ATOM 230 CD1 LEU A 251 4.893 -0.112 1.632 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.537 1.802 0.096 1.00 0.00 C ATOM 0 H LEU A 251 1.264 2.864 0.499 1.00 0.00 H new ATOM 0 HA LEU A 251 3.016 0.798 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.347 2.926 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.972 1.813 2.386 1.00 0.00 H new ATOM 0 HG LEU A 251 5.330 1.888 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.937 -0.427 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.441 -0.344 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 251 4.357 -0.640 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.568 1.450 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.031 1.359 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.528 2.888 0.001 1.00 0.00 H new ATOM 243 N SER A 252 0.816 0.046 1.901 1.00 0.00 N ATOM 244 CA SER A 252 0.128 -1.071 2.527 1.00 0.00 C ATOM 245 C SER A 252 -0.607 -1.895 1.466 1.00 0.00 C ATOM 246 O SER A 252 -0.726 -3.111 1.594 1.00 0.00 O ATOM 247 CB SER A 252 -0.854 -0.584 3.594 1.00 0.00 C ATOM 248 OG SER A 252 -0.191 0.083 4.665 1.00 0.00 O ATOM 0 H SER A 252 0.457 0.966 2.156 1.00 0.00 H new ATOM 0 HA SER A 252 0.872 -1.700 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.578 0.092 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.413 -1.433 3.987 1.00 0.00 H new ATOM 0 HG SER A 252 -0.472 1.022 4.690 1.00 0.00 H new ATOM 254 N LEU A 253 -1.079 -1.196 0.443 1.00 0.00 N ATOM 255 CA LEU A 253 -1.776 -1.851 -0.651 1.00 0.00 C ATOM 256 C LEU A 253 -0.781 -2.694 -1.453 1.00 0.00 C ATOM 257 O LEU A 253 -1.114 -3.787 -1.908 1.00 0.00 O ATOM 258 CB LEU A 253 -2.533 -0.824 -1.494 1.00 0.00 C ATOM 259 CG LEU A 253 -3.816 -1.321 -2.163 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.578 -0.165 -2.816 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.518 -2.445 -3.157 1.00 0.00 C ATOM 0 H LEU A 253 -0.992 -0.184 0.349 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.534 -2.534 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.784 0.025 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.862 -0.454 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.463 -1.738 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.486 -0.546 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.843 0.571 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.949 0.304 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.448 -2.779 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -2.842 -2.078 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.052 -3.280 -2.633 1.00 0.00 H new ATOM 273 N THR A 254 0.419 -2.151 -1.602 1.00 0.00 N ATOM 274 CA THR A 254 1.454 -2.824 -2.368 1.00 0.00 C ATOM 275 C THR A 254 1.965 -4.051 -1.611 1.00 0.00 C ATOM 276 O THR A 254 2.251 -5.083 -2.215 1.00 0.00 O ATOM 277 CB THR A 254 2.551 -1.803 -2.679 1.00 0.00 C ATOM 278 OG1 THR A 254 1.927 -0.885 -3.573 1.00 0.00 O ATOM 279 CG2 THR A 254 3.694 -2.403 -3.500 1.00 0.00 C ATOM 0 H THR A 254 0.697 -1.253 -1.205 1.00 0.00 H new ATOM 0 HA THR A 254 1.064 -3.203 -3.313 1.00 0.00 H new ATOM 0 HB THR A 254 2.946 -1.400 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.366 -0.263 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.445 -1.637 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.148 -3.224 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.305 -2.776 -4.447 1.00 0.00 H new ATOM 287 N VAL A 255 2.063 -3.900 -0.299 1.00 0.00 N ATOM 288 CA VAL A 255 2.467 -5.004 0.555 1.00 0.00 C ATOM 289 C VAL A 255 1.399 -6.098 0.506 1.00 0.00 C ATOM 290 O VAL A 255 1.721 -7.279 0.381 1.00 0.00 O ATOM 291 CB VAL A 255 2.739 -4.497 1.972 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.736 -5.651 2.977 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.056 -3.721 2.034 1.00 0.00 C ATOM 0 H VAL A 255 1.869 -3.029 0.194 1.00 0.00 H new ATOM 0 HA VAL A 255 3.398 -5.443 0.197 1.00 0.00 H new ATOM 0 HB VAL A 255 1.934 -3.814 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 255 2.932 -5.263 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.764 -6.143 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.510 -6.369 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.225 -3.372 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.877 -4.372 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.006 -2.865 1.361 1.00 0.00 H new ATOM 303 N PHE A 256 0.150 -5.667 0.607 1.00 0.00 N ATOM 304 CA PHE A 256 -0.968 -6.592 0.541 1.00 0.00 C ATOM 305 C PHE A 256 -1.053 -7.252 -0.837 1.00 0.00 C ATOM 306 O PHE A 256 -1.417 -8.422 -0.947 1.00 0.00 O ATOM 307 CB PHE A 256 -2.238 -5.774 0.780 1.00 0.00 C ATOM 308 CG PHE A 256 -3.530 -6.589 0.679 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.702 -7.692 1.455 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.508 -6.208 -0.188 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.900 -8.448 1.360 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.707 -6.964 -0.281 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.878 -8.067 0.494 1.00 0.00 C ATOM 0 H PHE A 256 -0.112 -4.689 0.734 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.844 -7.380 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.184 -5.318 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.276 -4.960 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.927 -7.993 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.372 -5.332 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -5.035 -9.325 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.483 -6.662 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.790 -8.641 0.423 1.00 0.00 H new ATOM 323 N LEU A 257 -0.709 -6.474 -1.853 1.00 0.00 N ATOM 324 CA LEU A 257 -0.664 -6.991 -3.210 1.00 0.00 C ATOM 325 C LEU A 257 0.486 -7.993 -3.331 1.00 0.00 C ATOM 326 O LEU A 257 0.375 -8.987 -4.048 1.00 0.00 O ATOM 327 CB LEU A 257 -0.589 -5.843 -4.218 1.00 0.00 C ATOM 328 CG LEU A 257 -0.673 -6.240 -5.693 1.00 0.00 C ATOM 329 CD1 LEU A 257 -2.083 -6.708 -6.056 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.197 -5.099 -6.596 1.00 0.00 C ATOM 0 H LEU A 257 -0.459 -5.489 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.582 -7.530 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.397 -5.144 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.347 -5.307 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.002 -7.083 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -2.115 -6.984 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.348 -7.572 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.793 -5.902 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.267 -5.407 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.823 -4.222 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.838 -4.855 -6.358 1.00 0.00 H new ATOM 342 N LEU A 258 1.563 -7.697 -2.619 1.00 0.00 N ATOM 343 CA LEU A 258 2.695 -8.608 -2.561 1.00 0.00 C ATOM 344 C LEU A 258 2.251 -9.925 -1.921 1.00 0.00 C ATOM 345 O LEU A 258 2.553 -11.002 -2.435 1.00 0.00 O ATOM 346 CB LEU A 258 3.878 -7.947 -1.851 1.00 0.00 C ATOM 347 CG LEU A 258 5.267 -8.325 -2.370 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.360 -7.575 -1.605 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.475 -9.840 -2.330 1.00 0.00 C ATOM 0 H LEU A 258 1.677 -6.840 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 258 3.047 -8.844 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.765 -6.866 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.827 -8.198 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 258 5.336 -8.019 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.338 -7.861 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.220 -6.501 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.302 -7.828 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.470 -10.081 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.378 -10.194 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.725 -10.327 -2.954 1.00 0.00 H new ATOM 361 N VAL A 259 1.542 -9.796 -0.809 1.00 0.00 N ATOM 362 CA VAL A 259 1.061 -10.964 -0.088 1.00 0.00 C ATOM 363 C VAL A 259 0.196 -11.813 -1.023 1.00 0.00 C ATOM 364 O VAL A 259 0.194 -13.039 -0.929 1.00 0.00 O ATOM 365 CB VAL A 259 0.324 -10.528 1.179 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.551 -11.662 1.721 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.307 -10.038 2.244 1.00 0.00 C ATOM 0 H VAL A 259 1.289 -8.901 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 259 1.896 -11.586 0.236 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.329 -9.695 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -1.064 -11.327 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.287 -11.945 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.075 -12.522 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.757 -9.734 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 259 1.996 -10.842 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.869 -9.188 1.857 1.00 0.00 H new ATOM 377 N ILE A 260 -0.518 -11.127 -1.901 1.00 0.00 N ATOM 378 CA ILE A 260 -1.408 -11.801 -2.832 1.00 0.00 C ATOM 379 C ILE A 260 -0.578 -12.515 -3.900 1.00 0.00 C ATOM 380 O ILE A 260 -0.903 -13.632 -4.301 1.00 0.00 O ATOM 381 CB ILE A 260 -2.431 -10.818 -3.404 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.519 -10.497 -2.375 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.020 -11.339 -4.716 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.371 -9.311 -2.830 1.00 0.00 C ATOM 0 H ILE A 260 -0.499 -10.111 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.989 -12.565 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.916 -9.884 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.154 -11.370 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.059 -10.271 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.744 -10.621 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.221 -11.474 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.515 -12.294 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.136 -9.104 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.737 -8.433 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.849 -9.549 -3.780 1.00 0.00 H new ATOM 396 N VAL A 261 0.478 -11.842 -4.331 1.00 0.00 N ATOM 397 CA VAL A 261 1.340 -12.384 -5.367 1.00 0.00 C ATOM 398 C VAL A 261 2.111 -13.582 -4.809 1.00 0.00 C ATOM 399 O VAL A 261 2.594 -14.422 -5.565 1.00 0.00 O ATOM 400 CB VAL A 261 2.255 -11.287 -5.915 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.446 -11.889 -6.665 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.478 -10.319 -6.807 1.00 0.00 C ATOM 0 H VAL A 261 0.757 -10.925 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 261 0.746 -12.743 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 261 2.644 -10.722 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.080 -11.088 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.023 -12.518 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.084 -12.491 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.152 -9.550 -7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 261 1.046 -10.864 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.681 -9.852 -6.229 1.00 0.00 H new ATOM 412 N GLU A 262 2.201 -13.623 -3.486 1.00 0.00 N ATOM 413 CA GLU A 262 2.826 -14.749 -2.814 1.00 0.00 C ATOM 414 C GLU A 262 1.871 -15.943 -2.781 1.00 0.00 C ATOM 415 O GLU A 262 2.271 -17.071 -3.068 1.00 0.00 O ATOM 416 CB GLU A 262 3.271 -14.365 -1.401 1.00 0.00 C ATOM 417 CG GLU A 262 4.527 -13.492 -1.441 1.00 0.00 C ATOM 418 CD GLU A 262 4.980 -13.119 -0.029 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.693 -14.011 0.570 1.00 0.00 O ATOM 420 OE2 GLU A 262 4.656 -12.025 0.458 1.00 0.00 O ATOM 0 H GLU A 262 1.852 -12.895 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 262 3.715 -15.035 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.467 -13.830 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.468 -15.266 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.328 -14.024 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.327 -12.586 -2.014 1.00 0.00 H new ATOM 428 N LEU A 263 0.626 -15.657 -2.429 1.00 0.00 N ATOM 429 CA LEU A 263 -0.344 -16.710 -2.183 1.00 0.00 C ATOM 430 C LEU A 263 -0.792 -17.306 -3.519 1.00 0.00 C ATOM 431 O LEU A 263 -0.909 -18.524 -3.652 1.00 0.00 O ATOM 432 CB LEU A 263 -1.498 -16.187 -1.326 1.00 0.00 C ATOM 433 CG LEU A 263 -1.195 -15.989 0.160 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.239 -15.087 0.819 1.00 0.00 C ATOM 435 CD2 LEU A 263 -1.065 -17.334 0.876 1.00 0.00 C ATOM 0 H LEU A 263 0.267 -14.710 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 263 0.109 -17.518 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.828 -15.234 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.334 -16.880 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.234 -15.483 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.999 -14.964 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.238 -14.113 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.225 -15.541 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.850 -17.165 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.998 -17.889 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -0.254 -17.908 0.427 1.00 0.00 H new