USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 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 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.479 8.898 5.048 1.00 0.00 N ATOM 136 CA ALA A 10 7.192 10.258 5.485 1.00 0.00 C ATOM 137 C ALA A 10 6.036 10.283 6.478 1.00 0.00 C ATOM 138 O ALA A 10 6.106 10.949 7.512 1.00 0.00 O ATOM 139 CB ALA A 10 6.881 11.143 4.287 1.00 0.00 C ATOM 0 HA ALA A 10 8.077 10.646 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.669 12.156 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.738 11.159 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.013 10.749 3.759 1.00 0.00 H new ATOM 145 N VAL A 11 4.971 9.555 6.158 1.00 0.00 N ATOM 146 CA VAL A 11 3.799 9.493 7.023 1.00 0.00 C ATOM 147 C VAL A 11 4.148 8.894 8.380 1.00 0.00 C ATOM 148 O VAL A 11 3.719 9.396 9.420 1.00 0.00 O ATOM 149 CB VAL A 11 2.671 8.662 6.382 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.469 8.586 7.310 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.278 9.248 5.034 1.00 0.00 C ATOM 0 H VAL A 11 4.896 9.000 5.306 1.00 0.00 H new ATOM 0 HA VAL A 11 3.453 10.517 7.160 1.00 0.00 H new ATOM 0 HB VAL A 11 3.038 7.649 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.683 7.995 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.763 8.117 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.098 9.592 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.480 8.649 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.930 10.272 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.142 9.244 4.370 1.00 0.00 H new ATOM 161 N ILE A 12 4.929 7.819 8.363 1.00 0.00 N ATOM 162 CA ILE A 12 5.337 7.152 9.593 1.00 0.00 C ATOM 163 C ILE A 12 6.155 8.086 10.479 1.00 0.00 C ATOM 164 O ILE A 12 5.901 8.202 11.678 1.00 0.00 O ATOM 165 CB ILE A 12 6.164 5.887 9.300 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.326 4.875 8.515 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.669 5.272 10.597 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.149 3.977 7.618 1.00 0.00 C ATOM 0 H ILE A 12 5.292 7.391 7.511 1.00 0.00 H new ATOM 0 HA ILE A 12 4.424 6.866 10.115 1.00 0.00 H new ATOM 0 HB ILE A 12 7.026 6.166 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.764 4.258 9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.597 5.412 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.252 4.379 10.373 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.296 5.993 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.821 5.004 11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.490 3.285 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.690 4.585 6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.860 3.413 8.222 1.00 0.00 H new ATOM 180 N ALA A 13 7.137 8.752 9.880 1.00 0.00 N ATOM 181 CA ALA A 13 7.990 9.679 10.613 1.00 0.00 C ATOM 182 C ALA A 13 7.173 10.818 11.215 1.00 0.00 C ATOM 183 O ALA A 13 7.384 11.207 12.363 1.00 0.00 O ATOM 184 CB ALA A 13 9.076 10.230 9.702 1.00 0.00 C ATOM 0 H ALA A 13 7.361 8.667 8.889 1.00 0.00 H new ATOM 0 HA ALA A 13 8.460 9.132 11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.705 10.921 10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.685 9.409 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.617 10.756 8.865 1.00 0.00 H new ATOM 190 N GLY A 14 6.239 11.349 10.431 1.00 0.00 N ATOM 191 CA GLY A 14 5.406 12.439 10.904 1.00 0.00 C ATOM 192 C GLY A 14 4.513 12.027 12.058 1.00 0.00 C ATOM 193 O GLY A 14 4.275 12.809 12.978 1.00 0.00 O ATOM 0 H GLY A 14 6.045 11.044 9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.041 13.268 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.789 12.803 10.083 1.00 0.00 H new ATOM 197 N GLY A 15 4.015 10.795 12.009 1.00 0.00 N ATOM 198 CA GLY A 15 3.147 10.303 13.063 1.00 0.00 C ATOM 199 C GLY A 15 3.889 10.072 14.365 1.00 0.00 C ATOM 200 O GLY A 15 3.379 10.381 15.442 1.00 0.00 O ATOM 0 H GLY A 15 4.197 10.129 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.341 11.018 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.684 9.370 12.742 1.00 0.00 H new ATOM 204 N VAL A 16 5.097 9.527 14.266 1.00 0.00 N ATOM 205 CA VAL A 16 5.911 9.254 15.445 1.00 0.00 C ATOM 206 C VAL A 16 6.339 10.548 16.129 1.00 0.00 C ATOM 207 O VAL A 16 6.211 10.691 17.345 1.00 0.00 O ATOM 208 CB VAL A 16 7.166 8.437 15.084 1.00 0.00 C ATOM 209 CG1 VAL A 16 8.022 8.199 16.319 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.774 7.119 14.434 1.00 0.00 C ATOM 0 H VAL A 16 5.534 9.266 13.382 1.00 0.00 H new ATOM 0 HA VAL A 16 5.293 8.672 16.129 1.00 0.00 H new ATOM 0 HB VAL A 16 7.757 9.008 14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.904 7.620 16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.332 9.157 16.737 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.444 7.649 17.062 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.673 6.554 14.185 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.162 6.540 15.125 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.206 7.316 13.525 1.00 0.00 H new ATOM 220 N ILE A 17 6.848 11.487 15.339 1.00 0.00 N ATOM 221 CA ILE A 17 7.293 12.770 15.868 1.00 0.00 C ATOM 222 C ILE A 17 6.125 13.563 16.445 1.00 0.00 C ATOM 223 O ILE A 17 6.233 14.155 17.518 1.00 0.00 O ATOM 224 CB ILE A 17 7.986 13.616 14.783 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.443 14.956 15.365 1.00 0.00 C ATOM 226 CG2 ILE A 17 7.051 13.836 13.604 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.428 14.816 16.504 1.00 0.00 C ATOM 0 H ILE A 17 6.962 11.383 14.331 1.00 0.00 H new ATOM 0 HA ILE A 17 8.008 12.553 16.661 1.00 0.00 H new ATOM 0 HB ILE A 17 8.864 13.076 14.429 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.898 15.551 14.573 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.570 15.507 15.716 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.556 14.435 12.846 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.771 12.873 13.177 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.156 14.358 13.942 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.708 15.805 16.867 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.969 14.249 17.314 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.318 14.293 16.153 1.00 0.00 H new ATOM 239 N GLY A 18 5.007 13.567 15.726 1.00 0.00 N ATOM 240 CA GLY A 18 3.833 14.288 16.183 1.00 0.00 C ATOM 241 C GLY A 18 3.277 13.728 17.477 1.00 0.00 C ATOM 242 O GLY A 18 2.909 14.480 18.380 1.00 0.00 O ATOM 0 H GLY A 18 4.893 13.084 14.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.088 15.338 16.325 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.063 14.248 15.413 1.00 0.00 H new ATOM 246 N PHE A 19 3.212 12.404 17.568 1.00 0.00 N ATOM 247 CA PHE A 19 2.693 11.744 18.760 1.00 0.00 C ATOM 248 C PHE A 19 3.590 12.013 19.964 1.00 0.00 C ATOM 249 O PHE A 19 3.107 12.283 21.065 1.00 0.00 O ATOM 250 CB PHE A 19 2.576 10.236 18.524 1.00 0.00 C ATOM 251 CG PHE A 19 1.246 9.819 17.966 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.491 8.843 18.596 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.750 10.402 16.810 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.734 8.456 18.086 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.474 10.020 16.296 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.217 9.045 16.933 1.00 0.00 C ATOM 0 H PHE A 19 3.512 11.767 16.830 1.00 0.00 H new ATOM 0 HA PHE A 19 1.703 12.150 18.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.363 9.921 17.839 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.746 9.715 19.466 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.864 8.379 19.497 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.327 11.163 16.306 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.313 7.695 18.588 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.850 10.484 15.396 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.173 8.744 16.531 1.00 0.00 H new ATOM 266 N LEU A 20 4.899 11.936 19.749 1.00 0.00 N ATOM 267 CA LEU A 20 5.865 12.171 20.816 1.00 0.00 C ATOM 268 C LEU A 20 5.789 13.611 21.312 1.00 0.00 C ATOM 269 O LEU A 20 5.923 13.875 22.508 1.00 0.00 O ATOM 270 CB LEU A 20 7.281 11.862 20.326 1.00 0.00 C ATOM 271 CG LEU A 20 8.138 10.997 21.251 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.705 9.541 21.172 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.611 11.137 20.898 1.00 0.00 C ATOM 0 H LEU A 20 5.316 11.713 18.845 1.00 0.00 H new ATOM 0 HA LEU A 20 5.621 11.507 21.646 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.209 11.363 19.359 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.800 12.806 20.160 1.00 0.00 H new ATOM 0 HG LEU A 20 7.996 11.342 22.275 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.326 8.940 21.837 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.661 9.455 21.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.817 9.183 20.149 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.206 10.515 21.566 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.770 10.818 19.868 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.914 12.178 21.007 1.00 0.00 H new ATOM 285 N PHE A 21 5.571 14.540 20.387 1.00 0.00 N ATOM 286 CA PHE A 21 5.476 15.954 20.731 1.00 0.00 C ATOM 287 C PHE A 21 4.199 16.238 21.516 1.00 0.00 C ATOM 288 O PHE A 21 4.210 16.994 22.487 1.00 0.00 O ATOM 289 CB PHE A 21 5.511 16.812 19.464 1.00 0.00 C ATOM 290 CG PHE A 21 6.560 17.886 19.496 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.410 18.075 18.418 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.697 18.706 20.604 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.376 19.062 18.444 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.661 19.696 20.635 1.00 0.00 C ATOM 295 CZ PHE A 21 8.503 19.873 19.554 1.00 0.00 C ATOM 0 H PHE A 21 5.457 14.339 19.394 1.00 0.00 H new ATOM 0 HA PHE A 21 6.331 16.208 21.358 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.689 16.167 18.603 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.534 17.274 19.320 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.316 17.443 17.547 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.043 18.570 21.453 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.031 19.199 17.597 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.756 20.331 21.504 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.259 20.644 19.577 1.00 0.00 H new ATOM 305 N ALA A 22 3.100 15.626 21.088 1.00 0.00 N ATOM 306 CA ALA A 22 1.815 15.811 21.751 1.00 0.00 C ATOM 307 C ALA A 22 1.860 15.300 23.187 1.00 0.00 C ATOM 308 O ALA A 22 1.408 15.977 24.111 1.00 0.00 O ATOM 309 CB ALA A 22 0.713 15.109 20.972 1.00 0.00 C ATOM 0 H ALA A 22 3.074 14.998 20.285 1.00 0.00 H new ATOM 0 HA ALA A 22 1.599 16.879 21.780 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.241 15.256 21.479 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.657 15.525 19.966 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.932 14.043 20.912 1.00 0.00 H new ATOM 315 N ILE A 23 2.405 14.102 23.366 1.00 0.00 N ATOM 316 CA ILE A 23 2.508 13.500 24.690 1.00 0.00 C ATOM 317 C ILE A 23 3.476 14.280 25.574 1.00 0.00 C ATOM 318 O ILE A 23 3.271 14.400 26.782 1.00 0.00 O ATOM 319 CB ILE A 23 2.973 12.034 24.608 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.994 11.404 26.002 1.00 0.00 C ATOM 321 CG2 ILE A 23 4.347 11.950 23.961 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.092 10.197 26.134 1.00 0.00 C ATOM 0 H ILE A 23 2.782 13.529 22.611 1.00 0.00 H new ATOM 0 HA ILE A 23 1.511 13.532 25.130 1.00 0.00 H new ATOM 0 HB ILE A 23 2.268 11.478 23.990 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.016 11.112 26.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.694 12.153 26.735 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.662 10.908 23.910 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.301 12.365 22.954 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.064 12.517 24.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.158 9.803 27.148 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.063 10.487 25.924 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.405 9.430 25.426 1.00 0.00 H new ATOM 334 N PHE A 24 4.530 14.810 24.963 1.00 0.00 N ATOM 335 CA PHE A 24 5.530 15.580 25.695 1.00 0.00 C ATOM 336 C PHE A 24 4.945 16.899 26.190 1.00 0.00 C ATOM 337 O PHE A 24 5.218 17.331 27.311 1.00 0.00 O ATOM 338 CB PHE A 24 6.746 15.850 24.806 1.00 0.00 C ATOM 339 CG PHE A 24 7.913 14.951 25.099 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.500 14.205 24.090 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.423 14.852 26.383 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.575 13.377 24.355 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.498 14.026 26.655 1.00 0.00 C ATOM 344 CZ PHE A 24 10.073 13.287 25.640 1.00 0.00 C ATOM 0 H PHE A 24 4.714 14.721 23.964 1.00 0.00 H new ATOM 0 HA PHE A 24 5.843 14.995 26.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.457 15.729 23.762 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.056 16.887 24.933 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.113 14.271 23.084 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.976 15.427 27.181 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.024 12.802 23.559 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.887 13.959 27.660 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.911 12.639 25.851 1.00 0.00 H new ATOM 354 N LEU A 25 4.140 17.536 25.347 1.00 0.00 N ATOM 355 CA LEU A 25 3.516 18.808 25.698 1.00 0.00 C ATOM 356 C LEU A 25 2.490 18.622 26.811 1.00 0.00 C ATOM 357 O LEU A 25 2.429 19.415 27.751 1.00 0.00 O ATOM 358 CB LEU A 25 2.845 19.425 24.469 1.00 0.00 C ATOM 359 CG LEU A 25 3.338 20.815 24.064 1.00 0.00 C ATOM 360 CD1 LEU A 25 2.684 21.254 22.763 1.00 0.00 C ATOM 361 CD2 LEU A 25 3.061 21.823 25.169 1.00 0.00 C ATOM 0 H LEU A 25 3.904 17.193 24.416 1.00 0.00 H new ATOM 0 HA LEU A 25 4.295 19.481 26.056 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.987 18.750 23.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.772 19.481 24.655 1.00 0.00 H new ATOM 0 HG LEU A 25 4.416 20.766 23.907 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.046 22.245 22.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.934 20.546 21.973 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.602 21.286 22.892 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.419 22.806 24.863 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.989 21.870 25.358 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.577 21.516 26.079 1.00 0.00 H new ATOM 373 N ILE A 26 1.689 17.568 26.701 1.00 0.00 N ATOM 374 CA ILE A 26 0.668 17.276 27.700 1.00 0.00 C ATOM 375 C ILE A 26 1.298 16.944 29.048 1.00 0.00 C ATOM 376 O ILE A 26 0.863 17.440 30.088 1.00 0.00 O ATOM 377 CB ILE A 26 -0.229 16.104 27.262 1.00 0.00 C ATOM 378 CG1 ILE A 26 -1.040 16.488 26.023 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.152 15.690 28.399 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.055 17.580 26.280 1.00 0.00 C ATOM 0 H ILE A 26 1.727 16.902 25.930 1.00 0.00 H new ATOM 0 HA ILE A 26 0.057 18.173 27.798 1.00 0.00 H new ATOM 0 HB ILE A 26 0.406 15.255 27.008 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.357 16.815 25.239 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.556 15.604 25.648 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.780 14.860 28.074 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.556 15.379 29.257 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.782 16.533 28.681 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.593 17.801 25.358 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.761 17.249 27.042 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.543 18.478 26.626 1.00 0.00 H new ATOM 392 N LEU A 27 2.326 16.103 29.023 1.00 0.00 N ATOM 393 CA LEU A 27 3.019 15.705 30.244 1.00 0.00 C ATOM 394 C LEU A 27 3.671 16.909 30.917 1.00 0.00 C ATOM 395 O LEU A 27 3.632 17.047 32.140 1.00 0.00 O ATOM 396 CB LEU A 27 4.077 14.646 29.931 1.00 0.00 C ATOM 397 CG LEU A 27 3.582 13.200 29.871 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.550 12.337 29.076 1.00 0.00 C ATOM 399 CD2 LEU A 27 3.395 12.641 31.274 1.00 0.00 C ATOM 0 H LEU A 27 2.698 15.683 28.171 1.00 0.00 H new ATOM 0 HA LEU A 27 2.284 15.283 30.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.536 14.892 28.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.861 14.710 30.686 1.00 0.00 H new ATOM 0 HG LEU A 27 2.617 13.188 29.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.181 11.312 29.044 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.633 12.724 28.061 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.530 12.356 29.553 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.042 11.611 31.211 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.346 12.667 31.806 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.662 13.243 31.811 1.00 0.00 H new ATOM 411 N LEU A 28 4.270 17.778 30.110 1.00 0.00 N ATOM 412 CA LEU A 28 4.929 18.972 30.627 1.00 0.00 C ATOM 413 C LEU A 28 3.918 19.920 31.265 1.00 0.00 C ATOM 414 O LEU A 28 4.181 20.513 32.312 1.00 0.00 O ATOM 415 CB LEU A 28 5.680 19.690 29.504 1.00 0.00 C ATOM 416 CG LEU A 28 7.113 19.222 29.249 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.600 19.707 27.892 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.038 19.708 30.355 1.00 0.00 C ATOM 0 H LEU A 28 4.313 17.678 29.096 1.00 0.00 H new ATOM 0 HA LEU A 28 5.641 18.662 31.392 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.111 19.573 28.581 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.702 20.756 29.732 1.00 0.00 H new ATOM 0 HG LEU A 28 7.124 18.132 29.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.622 19.364 27.728 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.954 19.309 27.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.574 20.796 27.864 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.054 19.365 30.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.023 20.797 30.390 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.701 19.310 31.312 1.00 0.00 H new ATOM 430 N LEU A 29 2.760 20.056 30.628 1.00 0.00 N ATOM 431 CA LEU A 29 1.707 20.930 31.135 1.00 0.00 C ATOM 432 C LEU A 29 1.170 20.419 32.468 1.00 0.00 C ATOM 433 O LEU A 29 1.055 21.175 33.433 1.00 0.00 O ATOM 434 CB LEU A 29 0.569 21.032 30.118 1.00 0.00 C ATOM 435 CG LEU A 29 -0.126 22.390 30.021 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.829 23.440 29.474 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.370 22.293 29.150 1.00 0.00 C ATOM 0 H LEU A 29 2.526 19.573 29.761 1.00 0.00 H new ATOM 0 HA LEU A 29 2.135 21.920 31.293 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.964 20.778 29.134 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.180 20.280 30.365 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.432 22.692 31.023 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.317 24.400 29.412 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.690 23.530 30.137 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.166 23.143 28.481 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.851 23.269 29.093 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.088 21.968 28.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.063 21.572 29.584 1.00 0.00 H new ATOM 449 N VAL A 30 0.843 19.132 32.514 1.00 0.00 N ATOM 450 CA VAL A 30 0.321 18.519 33.730 1.00 0.00 C ATOM 451 C VAL A 30 1.368 18.518 34.838 1.00 0.00 C ATOM 452 O VAL A 30 1.037 18.630 36.019 1.00 0.00 O ATOM 453 CB VAL A 30 -0.141 17.072 33.474 1.00 0.00 C ATOM 454 CG1 VAL A 30 1.030 16.207 33.034 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.801 16.496 34.719 1.00 0.00 C ATOM 0 H VAL A 30 0.930 18.493 31.724 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.535 19.116 34.044 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.877 17.081 32.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.684 15.188 32.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.455 16.610 32.115 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.792 16.202 33.814 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.121 15.473 34.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.088 16.500 35.543 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.667 17.102 34.985 1.00 0.00 H new ATOM 465 N TYR A 31 2.632 18.392 34.450 1.00 0.00 N ATOM 466 CA TYR A 31 3.728 18.375 35.411 1.00 0.00 C ATOM 467 C TYR A 31 3.881 19.734 36.087 1.00 0.00 C ATOM 468 O TYR A 31 3.833 19.840 37.313 1.00 0.00 O ATOM 469 CB TYR A 31 5.035 17.987 34.719 1.00 0.00 C ATOM 470 CG TYR A 31 5.415 16.536 34.911 1.00 0.00 C ATOM 471 CD1 TYR A 31 5.689 15.719 33.821 1.00 0.00 C ATOM 472 CD2 TYR A 31 5.499 15.981 36.182 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.035 14.393 33.991 1.00 0.00 C ATOM 474 CE2 TYR A 31 5.846 14.657 36.362 1.00 0.00 C ATOM 475 CZ TYR A 31 6.113 13.866 35.264 1.00 0.00 C ATOM 476 OH TYR A 31 6.457 12.546 35.438 1.00 0.00 O ATOM 0 H TYR A 31 2.923 18.300 33.477 1.00 0.00 H new ATOM 0 HA TYR A 31 3.496 17.633 36.175 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.946 18.192 33.652 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.839 18.618 35.099 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.630 16.128 32.823 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.289 16.596 37.044 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.243 13.772 33.132 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.908 14.243 37.357 1.00 0.00 H new ATOM 0 HH TYR A 31 6.468 12.334 36.395 1.00 0.00 H new ATOM 486 N ARG A 32 4.066 20.772 35.278 1.00 0.00 N ATOM 487 CA ARG A 32 4.227 22.126 35.796 1.00 0.00 C ATOM 488 C ARG A 32 3.047 22.513 36.682 1.00 0.00 C ATOM 489 O ARG A 32 3.222 23.138 37.727 1.00 0.00 O ATOM 490 CB ARG A 32 4.362 23.123 34.643 1.00 0.00 C ATOM 491 CG ARG A 32 5.762 23.696 34.494 1.00 0.00 C ATOM 492 CD ARG A 32 6.175 23.784 33.034 1.00 0.00 C ATOM 493 NE ARG A 32 5.728 25.027 32.412 1.00 0.00 N ATOM 494 CZ ARG A 32 5.927 25.323 31.133 1.00 0.00 C ATOM 495 NH1 ARG A 32 6.563 24.469 30.343 1.00 0.00 N ATOM 496 NH2 ARG A 32 5.489 26.475 30.641 1.00 0.00 N ATOM 0 H ARG A 32 4.108 20.702 34.261 1.00 0.00 H new ATOM 0 HA ARG A 32 5.135 22.152 36.398 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.079 22.630 33.713 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.658 23.941 34.797 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.800 24.688 34.944 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.472 23.072 35.037 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.260 23.711 32.959 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.760 22.936 32.488 1.00 0.00 H new ATOM 0 HE ARG A 32 5.235 25.706 32.992 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.901 23.582 30.717 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.715 24.699 29.361 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.999 27.134 31.246 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.643 26.701 29.658 1.00 0.00 H new