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 13:sc= 1.19 USER MOD Single : A 254 THR OG1 : rot 82:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.408 10.053 3.901 1.00 0.00 N ATOM 130 CA LEU A 245 -1.607 9.242 3.779 1.00 0.00 C ATOM 131 C LEU A 245 -1.483 8.337 2.553 1.00 0.00 C ATOM 132 O LEU A 245 -1.780 7.145 2.622 1.00 0.00 O ATOM 133 CB LEU A 245 -2.854 10.127 3.766 1.00 0.00 C ATOM 134 CG LEU A 245 -3.441 10.481 5.135 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.279 11.757 5.059 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.236 9.306 5.710 1.00 0.00 C ATOM 0 HA LEU A 245 -1.716 8.591 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.612 11.054 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.625 9.625 3.181 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.616 10.679 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.684 11.986 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.653 12.584 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.098 11.613 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.642 9.583 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -5.053 9.054 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.579 8.443 5.823 1.00 0.00 H new ATOM 148 N SER A 246 -1.043 8.936 1.456 1.00 0.00 N ATOM 149 CA SER A 246 -0.909 8.208 0.206 1.00 0.00 C ATOM 150 C SER A 246 0.026 7.012 0.395 1.00 0.00 C ATOM 151 O SER A 246 -0.251 5.919 -0.098 1.00 0.00 O ATOM 152 CB SER A 246 -0.388 9.117 -0.908 1.00 0.00 C ATOM 153 OG SER A 246 -1.197 10.279 -1.072 1.00 0.00 O ATOM 0 H SER A 246 -0.774 9.919 1.407 1.00 0.00 H new ATOM 0 HA SER A 246 -1.895 7.848 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.635 9.417 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.358 8.561 -1.845 1.00 0.00 H new ATOM 0 HG SER A 246 -0.830 10.834 -1.791 1.00 0.00 H new ATOM 159 N ILE A 247 1.113 7.258 1.111 1.00 0.00 N ATOM 160 CA ILE A 247 2.094 6.217 1.364 1.00 0.00 C ATOM 161 C ILE A 247 1.502 5.188 2.330 1.00 0.00 C ATOM 162 O ILE A 247 1.605 3.984 2.099 1.00 0.00 O ATOM 163 CB ILE A 247 3.410 6.827 1.850 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.989 7.782 0.803 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.408 5.737 2.245 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.432 8.163 1.148 1.00 0.00 C ATOM 0 H ILE A 247 1.336 8.164 1.524 1.00 0.00 H new ATOM 0 HA ILE A 247 2.334 5.689 0.441 1.00 0.00 H new ATOM 0 HB ILE A 247 3.205 7.414 2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.958 7.312 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.375 8.681 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.335 6.198 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.987 5.132 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.615 5.103 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.820 8.842 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.456 8.654 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.048 7.264 1.180 1.00 0.00 H new ATOM 178 N SER A 248 0.893 5.699 3.389 1.00 0.00 N ATOM 179 CA SER A 248 0.375 4.841 4.441 1.00 0.00 C ATOM 180 C SER A 248 -0.592 3.813 3.849 1.00 0.00 C ATOM 181 O SER A 248 -0.684 2.689 4.340 1.00 0.00 O ATOM 182 CB SER A 248 -0.323 5.662 5.527 1.00 0.00 C ATOM 183 OG SER A 248 -0.867 4.837 6.553 1.00 0.00 O ATOM 0 H SER A 248 0.746 6.697 3.542 1.00 0.00 H new ATOM 0 HA SER A 248 1.214 4.319 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 248 0.388 6.363 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.120 6.255 5.078 1.00 0.00 H new ATOM 0 HG SER A 248 -1.303 5.399 7.228 1.00 0.00 H new ATOM 189 N VAL A 249 -1.288 4.235 2.803 1.00 0.00 N ATOM 190 CA VAL A 249 -2.321 3.406 2.207 1.00 0.00 C ATOM 191 C VAL A 249 -1.710 2.561 1.089 1.00 0.00 C ATOM 192 O VAL A 249 -1.833 1.337 1.091 1.00 0.00 O ATOM 193 CB VAL A 249 -3.483 4.279 1.731 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.473 3.466 0.894 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.186 4.950 2.913 1.00 0.00 C ATOM 0 H VAL A 249 -1.156 5.141 2.353 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.731 2.718 2.946 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.073 5.064 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.289 4.111 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.963 3.058 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.873 2.650 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.008 5.565 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.576 4.186 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.475 5.578 3.450 1.00 0.00 H new ATOM 205 N LEU A 250 -1.062 3.249 0.158 1.00 0.00 N ATOM 206 CA LEU A 250 -0.599 2.606 -1.060 1.00 0.00 C ATOM 207 C LEU A 250 0.498 1.596 -0.713 1.00 0.00 C ATOM 208 O LEU A 250 0.635 0.571 -1.378 1.00 0.00 O ATOM 209 CB LEU A 250 -0.167 3.654 -2.087 1.00 0.00 C ATOM 210 CG LEU A 250 -1.272 4.576 -2.609 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.679 5.764 -3.371 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.281 3.798 -3.454 1.00 0.00 C ATOM 0 H LEU A 250 -0.847 4.244 0.224 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.410 2.048 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.613 4.271 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.281 3.139 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.814 4.980 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.485 6.404 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -0.031 6.336 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.098 5.399 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -3.055 4.476 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.771 3.347 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.737 3.015 -2.848 1.00 0.00 H new ATOM 224 N LEU A 251 1.251 1.923 0.327 1.00 0.00 N ATOM 225 CA LEU A 251 2.350 1.072 0.750 1.00 0.00 C ATOM 226 C LEU A 251 1.791 -0.237 1.312 1.00 0.00 C ATOM 227 O LEU A 251 2.291 -1.315 0.998 1.00 0.00 O ATOM 228 CB LEU A 251 3.261 1.820 1.726 1.00 0.00 C ATOM 229 CG LEU A 251 4.570 1.119 2.091 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.477 0.979 0.867 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.273 1.837 3.244 1.00 0.00 C ATOM 0 H LEU A 251 1.122 2.765 0.889 1.00 0.00 H new ATOM 0 HA LEU A 251 2.978 0.811 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.500 2.793 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.703 2.006 2.644 1.00 0.00 H new ATOM 0 HG LEU A 251 4.333 0.112 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.401 0.477 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.968 0.392 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.709 1.968 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.201 1.318 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.496 2.863 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.624 1.842 4.119 1.00 0.00 H new ATOM 243 N SER A 252 0.758 -0.099 2.131 1.00 0.00 N ATOM 244 CA SER A 252 0.093 -1.259 2.699 1.00 0.00 C ATOM 245 C SER A 252 -0.655 -2.021 1.605 1.00 0.00 C ATOM 246 O SER A 252 -0.804 -3.239 1.683 1.00 0.00 O ATOM 247 CB SER A 252 -0.871 -0.849 3.816 1.00 0.00 C ATOM 248 OG SER A 252 -1.688 0.254 3.436 1.00 0.00 O ATOM 0 H SER A 252 0.366 0.799 2.415 1.00 0.00 H new ATOM 0 HA SER A 252 0.852 -1.911 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.505 -1.697 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.302 -0.589 4.709 1.00 0.00 H new ATOM 0 HG SER A 252 -1.617 0.396 2.469 1.00 0.00 H new ATOM 254 N LEU A 253 -1.107 -1.272 0.610 1.00 0.00 N ATOM 255 CA LEU A 253 -1.798 -1.868 -0.521 1.00 0.00 C ATOM 256 C LEU A 253 -0.798 -2.660 -1.366 1.00 0.00 C ATOM 257 O LEU A 253 -1.120 -3.735 -1.870 1.00 0.00 O ATOM 258 CB LEU A 253 -2.557 -0.799 -1.309 1.00 0.00 C ATOM 259 CG LEU A 253 -3.865 -1.250 -1.965 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.642 -2.491 -2.831 1.00 0.00 C ATOM 261 CD2 LEU A 253 -4.957 -1.471 -0.916 1.00 0.00 C ATOM 0 H LEU A 253 -1.008 -0.258 0.563 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.553 -2.574 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.778 0.031 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.898 -0.413 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.210 -0.454 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.586 -2.792 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.918 -2.263 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.263 -3.304 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.875 -1.791 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.636 -2.239 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.139 -0.540 -0.378 1.00 0.00 H new ATOM 273 N THR A 254 0.396 -2.099 -1.493 1.00 0.00 N ATOM 274 CA THR A 254 1.435 -2.723 -2.293 1.00 0.00 C ATOM 275 C THR A 254 1.970 -3.974 -1.593 1.00 0.00 C ATOM 276 O THR A 254 2.267 -4.975 -2.243 1.00 0.00 O ATOM 277 CB THR A 254 2.513 -1.675 -2.570 1.00 0.00 C ATOM 278 OG1 THR A 254 1.884 -0.757 -3.462 1.00 0.00 O ATOM 279 CG2 THR A 254 3.684 -2.237 -3.378 1.00 0.00 C ATOM 0 H THR A 254 0.666 -1.219 -1.055 1.00 0.00 H new ATOM 0 HA THR A 254 1.042 -3.067 -3.250 1.00 0.00 H new ATOM 0 HB THR A 254 2.883 -1.277 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.336 -0.126 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.420 -1.451 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.147 -3.056 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.321 -2.605 -4.337 1.00 0.00 H new ATOM 287 N VAL A 255 2.074 -3.876 -0.275 1.00 0.00 N ATOM 288 CA VAL A 255 2.505 -5.007 0.528 1.00 0.00 C ATOM 289 C VAL A 255 1.449 -6.111 0.451 1.00 0.00 C ATOM 290 O VAL A 255 1.781 -7.283 0.276 1.00 0.00 O ATOM 291 CB VAL A 255 2.792 -4.553 1.960 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.830 -5.747 2.916 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.093 -3.753 2.031 1.00 0.00 C ATOM 0 H VAL A 255 1.867 -3.030 0.256 1.00 0.00 H new ATOM 0 HA VAL A 255 3.436 -5.419 0.140 1.00 0.00 H new ATOM 0 HB VAL A 255 1.979 -3.898 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.036 -5.397 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.868 -6.258 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.614 -6.438 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.273 -3.442 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.921 -4.374 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.013 -2.872 1.395 1.00 0.00 H new ATOM 303 N PHE A 256 0.197 -5.699 0.585 1.00 0.00 N ATOM 304 CA PHE A 256 -0.913 -6.633 0.498 1.00 0.00 C ATOM 305 C PHE A 256 -0.999 -7.253 -0.899 1.00 0.00 C ATOM 306 O PHE A 256 -1.335 -8.428 -1.041 1.00 0.00 O ATOM 307 CB PHE A 256 -2.191 -5.838 0.768 1.00 0.00 C ATOM 308 CG PHE A 256 -3.475 -6.663 0.653 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.606 -7.818 1.360 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.484 -6.242 -0.155 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.797 -8.585 1.252 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.675 -7.007 -0.262 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.805 -8.162 0.444 1.00 0.00 C ATOM 0 H PHE A 256 -0.074 -4.730 0.753 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.777 -7.440 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.135 -5.410 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.243 -5.005 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.805 -8.152 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.379 -5.325 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.901 -9.503 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.477 -6.672 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.711 -8.744 0.363 1.00 0.00 H new ATOM 323 N LEU A 257 -0.689 -6.436 -1.895 1.00 0.00 N ATOM 324 CA LEU A 257 -0.641 -6.910 -3.266 1.00 0.00 C ATOM 325 C LEU A 257 0.486 -7.937 -3.406 1.00 0.00 C ATOM 326 O LEU A 257 0.322 -8.958 -4.073 1.00 0.00 O ATOM 327 CB LEU A 257 -0.524 -5.734 -4.237 1.00 0.00 C ATOM 328 CG LEU A 257 -0.624 -6.081 -5.725 1.00 0.00 C ATOM 329 CD1 LEU A 257 0.731 -6.525 -6.277 1.00 0.00 C ATOM 330 CD2 LEU A 257 -1.715 -7.124 -5.973 1.00 0.00 C ATOM 0 H LEU A 257 -0.468 -5.447 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.570 -7.416 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.306 -5.013 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.431 -5.238 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.912 -5.180 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 257 0.632 -6.765 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 257 1.455 -5.720 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 257 1.073 -7.407 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -1.765 -7.352 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.483 -8.033 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -2.676 -6.731 -5.641 1.00 0.00 H new ATOM 342 N LEU A 258 1.605 -7.631 -2.766 1.00 0.00 N ATOM 343 CA LEU A 258 2.726 -8.556 -2.732 1.00 0.00 C ATOM 344 C LEU A 258 2.272 -9.876 -2.105 1.00 0.00 C ATOM 345 O LEU A 258 2.521 -10.947 -2.657 1.00 0.00 O ATOM 346 CB LEU A 258 3.925 -7.920 -2.026 1.00 0.00 C ATOM 347 CG LEU A 258 5.301 -8.279 -2.590 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.407 -7.511 -1.863 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.532 -9.791 -2.549 1.00 0.00 C ATOM 0 H LEU A 258 1.760 -6.755 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 258 3.065 -8.782 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.810 -6.837 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.898 -8.208 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 258 5.332 -7.976 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.375 -7.784 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.247 -6.440 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.387 -7.762 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.517 -10.020 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.475 -10.140 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.769 -10.292 -3.144 1.00 0.00 H new ATOM 361 N VAL A 259 1.615 -9.757 -0.962 1.00 0.00 N ATOM 362 CA VAL A 259 1.158 -10.929 -0.234 1.00 0.00 C ATOM 363 C VAL A 259 0.262 -11.771 -1.144 1.00 0.00 C ATOM 364 O VAL A 259 0.277 -12.999 -1.073 1.00 0.00 O ATOM 365 CB VAL A 259 0.465 -10.504 1.060 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.395 -11.639 1.622 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.484 -10.025 2.098 1.00 0.00 C ATOM 0 H VAL A 259 1.387 -8.866 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 259 2.004 -11.552 0.057 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.194 -9.668 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.876 -11.309 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.157 -11.914 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.235 -12.503 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.964 -9.729 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.180 -10.833 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.034 -9.172 1.701 1.00 0.00 H new ATOM 377 N ILE A 260 -0.499 -11.077 -1.979 1.00 0.00 N ATOM 378 CA ILE A 260 -1.408 -11.745 -2.893 1.00 0.00 C ATOM 379 C ILE A 260 -0.598 -12.474 -3.969 1.00 0.00 C ATOM 380 O ILE A 260 -0.938 -13.593 -4.353 1.00 0.00 O ATOM 381 CB ILE A 260 -2.426 -10.753 -3.458 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.526 -10.455 -2.436 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.998 -11.250 -4.787 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.386 -9.271 -2.886 1.00 0.00 C ATOM 0 H ILE A 260 -0.504 -10.059 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.992 -12.499 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.911 -9.814 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.154 -11.336 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.078 -10.236 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.719 -10.526 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.190 -11.370 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.493 -12.209 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.160 -9.080 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.759 -8.386 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.852 -9.503 -3.844 1.00 0.00 H new ATOM 396 N VAL A 261 0.455 -11.812 -4.421 1.00 0.00 N ATOM 397 CA VAL A 261 1.285 -12.360 -5.480 1.00 0.00 C ATOM 398 C VAL A 261 2.081 -13.548 -4.935 1.00 0.00 C ATOM 399 O VAL A 261 2.569 -14.377 -5.702 1.00 0.00 O ATOM 400 CB VAL A 261 2.177 -11.264 -6.067 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.333 -11.867 -6.867 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.360 -10.297 -6.927 1.00 0.00 C ATOM 0 H VAL A 261 0.753 -10.901 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 261 0.665 -12.729 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 261 2.604 -10.699 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.951 -11.066 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.938 -12.497 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.935 -12.468 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.017 -9.527 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.893 -10.844 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.588 -9.830 -6.316 1.00 0.00 H new ATOM 412 N GLU A 262 2.186 -13.593 -3.614 1.00 0.00 N ATOM 413 CA GLU A 262 2.823 -14.719 -2.953 1.00 0.00 C ATOM 414 C GLU A 262 1.869 -15.914 -2.905 1.00 0.00 C ATOM 415 O GLU A 262 2.270 -17.045 -3.175 1.00 0.00 O ATOM 416 CB GLU A 262 3.291 -14.336 -1.548 1.00 0.00 C ATOM 417 CG GLU A 262 4.540 -13.453 -1.609 1.00 0.00 C ATOM 418 CD GLU A 262 4.982 -13.031 -0.206 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.713 -13.891 0.418 1.00 0.00 O ATOM 420 OE2 GLU A 262 4.635 -11.932 0.250 1.00 0.00 O ATOM 0 H GLU A 262 1.841 -12.868 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 262 3.703 -15.003 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.493 -13.808 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.506 -15.237 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.348 -13.994 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.335 -12.568 -2.211 1.00 0.00 H new ATOM 428 N LEU A 263 0.624 -15.624 -2.558 1.00 0.00 N ATOM 429 CA LEU A 263 -0.346 -16.675 -2.302 1.00 0.00 C ATOM 430 C LEU A 263 -0.841 -17.244 -3.633 1.00 0.00 C ATOM 431 O LEU A 263 -1.121 -18.436 -3.738 1.00 0.00 O ATOM 432 CB LEU A 263 -1.469 -16.160 -1.399 1.00 0.00 C ATOM 433 CG LEU A 263 -1.082 -15.866 0.053 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.104 -14.942 0.717 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.884 -17.163 0.839 1.00 0.00 C ATOM 0 H LEU A 263 0.264 -14.676 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 263 0.119 -17.496 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.872 -15.248 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.273 -16.896 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.127 -15.340 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.805 -14.749 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.152 -14.000 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.085 -15.417 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.610 -16.927 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.811 -17.737 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -0.090 -17.751 0.378 1.00 0.00 H new