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= -0.0322 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot 180:sc= 0 USER MOD Single : A 254 THR OG1 : rot 81:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.442 9.950 3.961 1.00 0.00 N ATOM 130 CA LEU A 245 -1.668 9.194 3.768 1.00 0.00 C ATOM 131 C LEU A 245 -1.531 8.314 2.524 1.00 0.00 C ATOM 132 O LEU A 245 -1.827 7.121 2.567 1.00 0.00 O ATOM 133 CB LEU A 245 -2.876 10.132 3.728 1.00 0.00 C ATOM 134 CG LEU A 245 -3.452 10.543 5.085 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.245 11.846 4.972 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.291 9.414 5.689 1.00 0.00 C ATOM 0 HA LEU A 245 -1.840 8.527 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.592 11.035 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.666 9.651 3.151 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.621 10.729 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.643 12.115 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.590 12.641 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.068 11.712 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.689 9.732 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -5.115 9.174 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.667 8.531 5.827 1.00 0.00 H new ATOM 148 N SER A 246 -1.081 8.938 1.444 1.00 0.00 N ATOM 149 CA SER A 246 -0.967 8.244 0.173 1.00 0.00 C ATOM 150 C SER A 246 -0.013 7.056 0.310 1.00 0.00 C ATOM 151 O SER A 246 -0.277 5.980 -0.226 1.00 0.00 O ATOM 152 CB SER A 246 -0.482 9.189 -0.928 1.00 0.00 C ATOM 153 OG SER A 246 0.883 9.556 -0.755 1.00 0.00 O ATOM 0 H SER A 246 -0.791 9.916 1.424 1.00 0.00 H new ATOM 0 HA SER A 246 -1.955 7.879 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.608 8.709 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 246 -1.101 10.086 -0.933 1.00 0.00 H new ATOM 0 HG SER A 246 1.154 10.158 -1.479 1.00 0.00 H new ATOM 159 N ILE A 247 1.075 7.290 1.028 1.00 0.00 N ATOM 160 CA ILE A 247 2.067 6.250 1.245 1.00 0.00 C ATOM 161 C ILE A 247 1.483 5.178 2.168 1.00 0.00 C ATOM 162 O ILE A 247 1.577 3.987 1.877 1.00 0.00 O ATOM 163 CB ILE A 247 3.376 6.857 1.757 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.988 7.797 0.716 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.353 5.764 2.189 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.413 8.191 1.106 1.00 0.00 C ATOM 0 H ILE A 247 1.292 8.185 1.467 1.00 0.00 H new ATOM 0 HA ILE A 247 2.317 5.759 0.304 1.00 0.00 H new ATOM 0 HB ILE A 247 3.154 7.457 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.995 7.310 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.372 8.691 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.275 6.221 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.906 5.172 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.576 5.118 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.826 8.859 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.399 8.699 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.032 7.296 1.176 1.00 0.00 H new ATOM 178 N SER A 248 0.893 5.641 3.260 1.00 0.00 N ATOM 179 CA SER A 248 0.377 4.735 4.272 1.00 0.00 C ATOM 180 C SER A 248 -0.618 3.758 3.642 1.00 0.00 C ATOM 181 O SER A 248 -0.712 2.606 4.063 1.00 0.00 O ATOM 182 CB SER A 248 -0.287 5.506 5.414 1.00 0.00 C ATOM 183 OG SER A 248 -0.888 4.635 6.369 1.00 0.00 O ATOM 0 H SER A 248 0.761 6.631 3.466 1.00 0.00 H new ATOM 0 HA SER A 248 1.214 4.174 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 248 0.456 6.130 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.045 6.175 5.007 1.00 0.00 H new ATOM 0 HG SER A 248 -1.300 5.166 7.083 1.00 0.00 H new ATOM 189 N VAL A 249 -1.334 4.255 2.644 1.00 0.00 N ATOM 190 CA VAL A 249 -2.393 3.477 2.025 1.00 0.00 C ATOM 191 C VAL A 249 -1.808 2.639 0.887 1.00 0.00 C ATOM 192 O VAL A 249 -1.966 1.419 0.864 1.00 0.00 O ATOM 193 CB VAL A 249 -3.522 4.402 1.566 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.507 3.659 0.661 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.242 5.025 2.764 1.00 0.00 C ATOM 0 H VAL A 249 -1.202 5.186 2.249 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.829 2.786 2.746 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.077 5.210 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.299 4.340 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.982 3.286 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.942 2.822 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.040 5.678 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.667 4.236 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.532 5.606 3.353 1.00 0.00 H new ATOM 205 N LEU A 250 -1.142 3.326 -0.029 1.00 0.00 N ATOM 206 CA LEU A 250 -0.697 2.696 -1.260 1.00 0.00 C ATOM 207 C LEU A 250 0.388 1.666 -0.936 1.00 0.00 C ATOM 208 O LEU A 250 0.451 0.609 -1.563 1.00 0.00 O ATOM 209 CB LEU A 250 -0.255 3.753 -2.275 1.00 0.00 C ATOM 210 CG LEU A 250 -1.349 4.702 -2.772 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.742 5.903 -3.501 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.367 3.960 -3.639 1.00 0.00 C ATOM 0 H LEU A 250 -0.900 4.313 0.057 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.520 2.159 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.540 4.349 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.176 3.243 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.886 5.088 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.540 6.562 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -0.088 6.449 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.165 5.555 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -3.133 4.657 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.862 3.527 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.833 3.166 -3.055 1.00 0.00 H new ATOM 224 N LEU A 251 1.213 2.009 0.041 1.00 0.00 N ATOM 225 CA LEU A 251 2.305 1.137 0.439 1.00 0.00 C ATOM 226 C LEU A 251 1.732 -0.138 1.060 1.00 0.00 C ATOM 227 O LEU A 251 2.201 -1.239 0.772 1.00 0.00 O ATOM 228 CB LEU A 251 3.278 1.882 1.354 1.00 0.00 C ATOM 229 CG LEU A 251 4.608 1.179 1.634 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.450 1.072 0.361 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.367 1.871 2.768 1.00 0.00 C ATOM 0 H LEU A 251 1.148 2.879 0.569 1.00 0.00 H new ATOM 0 HA LEU A 251 2.888 0.835 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.490 2.855 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.781 2.068 2.306 1.00 0.00 H new ATOM 0 HG LEU A 251 4.394 0.163 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.390 0.569 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.904 0.500 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.657 2.071 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.308 1.351 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.571 2.905 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.764 1.850 3.675 1.00 0.00 H new ATOM 243 N SER A 252 0.726 0.051 1.902 1.00 0.00 N ATOM 244 CA SER A 252 0.040 -1.074 2.514 1.00 0.00 C ATOM 245 C SER A 252 -0.697 -1.883 1.445 1.00 0.00 C ATOM 246 O SER A 252 -0.802 -3.104 1.546 1.00 0.00 O ATOM 247 CB SER A 252 -0.939 -0.603 3.591 1.00 0.00 C ATOM 248 OG SER A 252 -1.614 -1.693 4.213 1.00 0.00 O ATOM 0 H SER A 252 0.370 0.967 2.175 1.00 0.00 H new ATOM 0 HA SER A 252 0.786 -1.709 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 252 -0.399 -0.032 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.671 0.070 3.146 1.00 0.00 H new ATOM 0 HG SER A 252 -2.229 -1.351 4.895 1.00 0.00 H new ATOM 254 N LEU A 253 -1.189 -1.168 0.443 1.00 0.00 N ATOM 255 CA LEU A 253 -1.882 -1.808 -0.664 1.00 0.00 C ATOM 256 C LEU A 253 -0.886 -2.646 -1.468 1.00 0.00 C ATOM 257 O LEU A 253 -1.196 -3.764 -1.874 1.00 0.00 O ATOM 258 CB LEU A 253 -2.628 -0.768 -1.501 1.00 0.00 C ATOM 259 CG LEU A 253 -3.892 -1.260 -2.209 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.664 -0.093 -2.829 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.557 -2.338 -3.242 1.00 0.00 C ATOM 0 H LEU A 253 -1.122 -0.153 0.374 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.646 -2.491 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.899 0.065 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.943 -0.376 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.544 -1.718 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.558 -0.471 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.953 0.609 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -4.032 0.416 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.473 -2.671 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -2.876 -1.928 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.083 -3.184 -2.744 1.00 0.00 H new ATOM 273 N THR A 254 0.290 -2.072 -1.674 1.00 0.00 N ATOM 274 CA THR A 254 1.316 -2.731 -2.463 1.00 0.00 C ATOM 275 C THR A 254 1.859 -3.953 -1.720 1.00 0.00 C ATOM 276 O THR A 254 2.136 -4.984 -2.331 1.00 0.00 O ATOM 277 CB THR A 254 2.392 -1.697 -2.798 1.00 0.00 C ATOM 278 OG1 THR A 254 1.713 -0.737 -3.603 1.00 0.00 O ATOM 279 CG2 THR A 254 3.478 -2.258 -3.722 1.00 0.00 C ATOM 0 H THR A 254 0.555 -1.158 -1.308 1.00 0.00 H new ATOM 0 HA THR A 254 0.909 -3.114 -3.399 1.00 0.00 H new ATOM 0 HB THR A 254 2.850 -1.339 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.211 -0.123 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.216 -1.483 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 254 3.966 -3.104 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.026 -2.586 -4.658 1.00 0.00 H new ATOM 287 N VAL A 255 1.994 -3.799 -0.410 1.00 0.00 N ATOM 288 CA VAL A 255 2.465 -4.888 0.427 1.00 0.00 C ATOM 289 C VAL A 255 1.429 -6.013 0.423 1.00 0.00 C ATOM 290 O VAL A 255 1.779 -7.185 0.290 1.00 0.00 O ATOM 291 CB VAL A 255 2.779 -4.369 1.832 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.842 -5.519 2.839 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.077 -3.561 1.840 1.00 0.00 C ATOM 0 H VAL A 255 1.785 -2.936 0.091 1.00 0.00 H new ATOM 0 HA VAL A 255 3.394 -5.300 0.032 1.00 0.00 H new ATOM 0 HB VAL A 255 1.969 -3.704 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.067 -5.123 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.882 -6.034 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.623 -6.220 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.277 -3.204 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.901 -4.193 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.980 -2.709 1.167 1.00 0.00 H new ATOM 303 N PHE A 256 0.173 -5.619 0.571 1.00 0.00 N ATOM 304 CA PHE A 256 -0.922 -6.574 0.546 1.00 0.00 C ATOM 305 C PHE A 256 -1.039 -7.237 -0.828 1.00 0.00 C ATOM 306 O PHE A 256 -1.379 -8.415 -0.927 1.00 0.00 O ATOM 307 CB PHE A 256 -2.205 -5.795 0.834 1.00 0.00 C ATOM 308 CG PHE A 256 -3.475 -6.646 0.784 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.580 -7.757 1.563 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.499 -6.293 -0.038 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.759 -8.547 1.517 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.678 -7.083 -0.084 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.784 -8.193 0.695 1.00 0.00 C ATOM 0 H PHE A 256 -0.111 -4.649 0.709 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.749 -7.357 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.126 -5.337 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.295 -4.984 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.767 -8.038 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.416 -5.411 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.842 -9.429 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.491 -6.802 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.681 -8.793 0.661 1.00 0.00 H new ATOM 323 N LEU A 257 -0.750 -6.450 -1.856 1.00 0.00 N ATOM 324 CA LEU A 257 -0.738 -6.968 -3.214 1.00 0.00 C ATOM 325 C LEU A 257 0.419 -7.956 -3.369 1.00 0.00 C ATOM 326 O LEU A 257 0.289 -8.968 -4.055 1.00 0.00 O ATOM 327 CB LEU A 257 -0.706 -5.820 -4.224 1.00 0.00 C ATOM 328 CG LEU A 257 -0.886 -6.211 -5.691 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.712 -5.164 -6.442 1.00 0.00 C ATOM 330 CD2 LEU A 257 0.465 -6.465 -6.362 1.00 0.00 C ATOM 0 H LEU A 257 -0.523 -5.459 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.656 -7.518 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.488 -5.109 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.246 -5.299 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 257 -1.444 -7.147 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.824 -5.467 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.696 -5.078 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -1.205 -4.200 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 257 0.307 -6.741 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 257 1.071 -5.560 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.981 -7.275 -5.846 1.00 0.00 H new ATOM 342 N LEU A 258 1.527 -7.627 -2.720 1.00 0.00 N ATOM 343 CA LEU A 258 2.674 -8.518 -2.698 1.00 0.00 C ATOM 344 C LEU A 258 2.277 -9.837 -2.033 1.00 0.00 C ATOM 345 O LEU A 258 2.553 -10.912 -2.564 1.00 0.00 O ATOM 346 CB LEU A 258 3.873 -7.833 -2.039 1.00 0.00 C ATOM 347 CG LEU A 258 5.244 -8.154 -2.639 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.348 -7.357 -1.943 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.516 -9.660 -2.607 1.00 0.00 C ATOM 0 H LEU A 258 1.654 -6.755 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 258 2.991 -8.755 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.721 -6.755 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.887 -8.106 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 258 5.239 -7.849 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.311 -7.604 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.156 -6.290 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.364 -7.607 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.496 -9.862 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.494 -10.012 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.751 -10.180 -3.184 1.00 0.00 H new ATOM 361 N VAL A 259 1.637 -9.713 -0.880 1.00 0.00 N ATOM 362 CA VAL A 259 1.210 -10.883 -0.130 1.00 0.00 C ATOM 363 C VAL A 259 0.329 -11.760 -1.022 1.00 0.00 C ATOM 364 O VAL A 259 0.378 -12.986 -0.935 1.00 0.00 O ATOM 365 CB VAL A 259 0.511 -10.450 1.161 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.325 -11.592 1.740 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.524 -9.937 2.187 1.00 0.00 C ATOM 0 H VAL A 259 1.403 -8.820 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 259 2.071 -11.482 0.168 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.164 -9.630 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.811 -11.258 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.083 -11.892 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.322 -12.441 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 259 1.002 -9.636 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.235 -10.728 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.058 -9.081 1.775 1.00 0.00 H new ATOM 377 N ILE A 260 -0.458 -11.098 -1.858 1.00 0.00 N ATOM 378 CA ILE A 260 -1.366 -11.801 -2.747 1.00 0.00 C ATOM 379 C ILE A 260 -0.561 -12.506 -3.841 1.00 0.00 C ATOM 380 O ILE A 260 -0.876 -13.632 -4.220 1.00 0.00 O ATOM 381 CB ILE A 260 -2.432 -10.846 -3.287 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.498 -10.558 -2.229 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.043 -11.384 -4.583 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.372 -9.370 -2.639 1.00 0.00 C ATOM 0 H ILE A 260 -0.485 -10.081 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.908 -12.574 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.951 -9.897 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.122 -11.441 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.019 -10.348 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.798 -10.687 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.261 -11.497 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.505 -12.353 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.122 -9.187 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.749 -8.483 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.869 -9.593 -3.583 1.00 0.00 H new ATOM 396 N VAL A 261 0.464 -11.813 -4.316 1.00 0.00 N ATOM 397 CA VAL A 261 1.294 -12.342 -5.383 1.00 0.00 C ATOM 398 C VAL A 261 2.116 -13.518 -4.851 1.00 0.00 C ATOM 399 O VAL A 261 2.602 -14.341 -5.624 1.00 0.00 O ATOM 400 CB VAL A 261 2.160 -11.228 -5.975 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.337 -11.808 -6.762 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.324 -10.291 -6.848 1.00 0.00 C ATOM 0 H VAL A 261 0.738 -10.889 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 261 0.674 -12.720 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 261 2.566 -10.643 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.936 -10.995 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.954 -12.415 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.960 -12.428 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.963 -9.508 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.876 -10.857 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.536 -9.839 -6.246 1.00 0.00 H new ATOM 412 N GLU A 262 2.245 -13.559 -3.532 1.00 0.00 N ATOM 413 CA GLU A 262 2.917 -14.670 -2.880 1.00 0.00 C ATOM 414 C GLU A 262 1.985 -15.880 -2.798 1.00 0.00 C ATOM 415 O GLU A 262 2.396 -17.005 -3.079 1.00 0.00 O ATOM 416 CB GLU A 262 3.417 -14.269 -1.491 1.00 0.00 C ATOM 417 CG GLU A 262 4.644 -13.358 -1.592 1.00 0.00 C ATOM 418 CD GLU A 262 5.140 -12.952 -0.203 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.895 -13.819 0.382 1.00 0.00 O ATOM 420 OE2 GLU A 262 4.809 -11.858 0.278 1.00 0.00 O ATOM 0 H GLU A 262 1.895 -12.841 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 262 3.786 -14.945 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.623 -13.756 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.669 -15.162 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.440 -13.872 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.394 -12.467 -2.168 1.00 0.00 H new ATOM 428 N LEU A 263 0.747 -15.609 -2.413 1.00 0.00 N ATOM 429 CA LEU A 263 -0.193 -16.675 -2.112 1.00 0.00 C ATOM 430 C LEU A 263 -0.708 -17.279 -3.421 1.00 0.00 C ATOM 431 O LEU A 263 -0.939 -18.485 -3.503 1.00 0.00 O ATOM 432 CB LEU A 263 -1.304 -16.166 -1.192 1.00 0.00 C ATOM 433 CG LEU A 263 -0.899 -15.883 0.255 1.00 0.00 C ATOM 434 CD1 LEU A 263 -1.960 -15.040 0.968 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.602 -17.182 1.007 1.00 0.00 C ATOM 0 H LEU A 263 0.373 -14.667 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 263 0.302 -17.476 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.712 -15.250 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.109 -16.901 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 263 0.022 -15.300 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.647 -14.854 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.080 -14.090 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.909 -15.576 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.317 -16.951 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.492 -17.812 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.214 -17.710 0.513 1.00 0.00 H new