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 7.298 8.887 5.258 1.00 0.00 N ATOM 136 CA ALA A 10 6.874 10.219 5.669 1.00 0.00 C ATOM 137 C ALA A 10 5.640 10.151 6.564 1.00 0.00 C ATOM 138 O ALA A 10 5.526 10.894 7.538 1.00 0.00 O ATOM 139 CB ALA A 10 6.596 11.085 4.449 1.00 0.00 C ATOM 0 HA ALA A 10 7.683 10.669 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.280 12.077 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.502 11.170 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.806 10.629 3.852 1.00 0.00 H new ATOM 145 N VAL A 11 4.719 9.254 6.225 1.00 0.00 N ATOM 146 CA VAL A 11 3.494 9.089 6.998 1.00 0.00 C ATOM 147 C VAL A 11 3.793 8.553 8.394 1.00 0.00 C ATOM 148 O VAL A 11 3.308 9.088 9.392 1.00 0.00 O ATOM 149 CB VAL A 11 2.511 8.135 6.294 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.253 7.952 7.129 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.168 8.653 4.906 1.00 0.00 C ATOM 0 H VAL A 11 4.798 8.631 5.421 1.00 0.00 H new ATOM 0 HA VAL A 11 3.036 10.075 7.081 1.00 0.00 H new ATOM 0 HB VAL A 11 2.991 7.162 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.571 7.275 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.518 7.533 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.767 8.917 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.472 7.967 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.708 9.638 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.078 8.727 4.310 1.00 0.00 H new ATOM 161 N ILE A 12 4.593 7.495 8.457 1.00 0.00 N ATOM 162 CA ILE A 12 4.958 6.889 9.731 1.00 0.00 C ATOM 163 C ILE A 12 5.775 7.853 10.585 1.00 0.00 C ATOM 164 O ILE A 12 5.542 7.984 11.786 1.00 0.00 O ATOM 165 CB ILE A 12 5.764 5.592 9.527 1.00 0.00 C ATOM 166 CG1 ILE A 12 6.162 4.995 10.878 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.998 5.863 8.678 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.000 3.492 10.946 1.00 0.00 C ATOM 0 H ILE A 12 5.001 7.039 7.641 1.00 0.00 H new ATOM 0 HA ILE A 12 4.027 6.652 10.246 1.00 0.00 H new ATOM 0 HB ILE A 12 5.137 4.871 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.201 5.250 11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.558 5.453 11.661 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.557 4.937 8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.693 6.248 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.629 6.598 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.301 3.138 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.957 3.230 10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.626 3.024 10.186 1.00 0.00 H new ATOM 180 N ALA A 13 6.733 8.526 9.956 1.00 0.00 N ATOM 181 CA ALA A 13 7.582 9.481 10.657 1.00 0.00 C ATOM 182 C ALA A 13 6.759 10.631 11.228 1.00 0.00 C ATOM 183 O ALA A 13 6.982 11.065 12.357 1.00 0.00 O ATOM 184 CB ALA A 13 8.659 10.013 9.724 1.00 0.00 C ATOM 0 H ALA A 13 6.940 8.427 8.962 1.00 0.00 H new ATOM 0 HA ALA A 13 8.060 8.963 11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.286 10.725 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.273 9.186 9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.191 10.510 8.874 1.00 0.00 H new ATOM 190 N GLY A 14 5.806 11.120 10.440 1.00 0.00 N ATOM 191 CA GLY A 14 4.965 12.216 10.885 1.00 0.00 C ATOM 192 C GLY A 14 4.060 11.821 12.035 1.00 0.00 C ATOM 193 O GLY A 14 3.805 12.620 12.936 1.00 0.00 O ATOM 0 H GLY A 14 5.601 10.777 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.594 13.051 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.356 12.565 10.051 1.00 0.00 H new ATOM 197 N GLY A 15 3.570 10.585 12.004 1.00 0.00 N ATOM 198 CA GLY A 15 2.691 10.109 13.056 1.00 0.00 C ATOM 199 C GLY A 15 3.412 9.931 14.378 1.00 0.00 C ATOM 200 O GLY A 15 2.903 10.321 15.428 1.00 0.00 O ATOM 0 H GLY A 15 3.766 9.905 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.870 10.814 13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.251 9.158 12.755 1.00 0.00 H new ATOM 204 N VAL A 16 4.601 9.339 14.326 1.00 0.00 N ATOM 205 CA VAL A 16 5.393 9.109 15.529 1.00 0.00 C ATOM 206 C VAL A 16 5.870 10.426 16.132 1.00 0.00 C ATOM 207 O VAL A 16 5.830 10.612 17.349 1.00 0.00 O ATOM 208 CB VAL A 16 6.616 8.220 15.234 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.467 8.831 14.130 1.00 0.00 C ATOM 210 CG2 VAL A 16 7.438 8.010 16.496 1.00 0.00 C ATOM 0 H VAL A 16 5.037 9.010 13.464 1.00 0.00 H new ATOM 0 HA VAL A 16 4.746 8.599 16.242 1.00 0.00 H new ATOM 0 HB VAL A 16 6.262 7.248 14.892 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.326 8.189 13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.872 8.926 13.222 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.813 9.817 14.441 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.298 7.380 16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.783 8.974 16.870 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.823 7.526 17.254 1.00 0.00 H new ATOM 220 N ILE A 17 6.319 11.335 15.275 1.00 0.00 N ATOM 221 CA ILE A 17 6.802 12.636 15.724 1.00 0.00 C ATOM 222 C ILE A 17 5.677 13.453 16.350 1.00 0.00 C ATOM 223 O ILE A 17 5.846 14.051 17.411 1.00 0.00 O ATOM 224 CB ILE A 17 7.420 13.438 14.564 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.656 12.718 14.019 1.00 0.00 C ATOM 226 CG2 ILE A 17 7.779 14.843 15.024 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.026 13.134 12.612 1.00 0.00 C ATOM 0 H ILE A 17 6.359 11.196 14.265 1.00 0.00 H new ATOM 0 HA ILE A 17 7.571 12.446 16.473 1.00 0.00 H new ATOM 0 HB ILE A 17 6.685 13.516 13.763 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.500 12.912 14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.477 11.643 14.036 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.215 15.398 14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.880 15.354 15.369 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.500 14.786 15.840 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.910 12.584 12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.198 12.915 11.938 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.237 14.203 12.592 1.00 0.00 H new ATOM 239 N GLY A 18 4.526 13.473 15.684 1.00 0.00 N ATOM 240 CA GLY A 18 3.389 14.219 16.191 1.00 0.00 C ATOM 241 C GLY A 18 2.883 13.677 17.513 1.00 0.00 C ATOM 242 O GLY A 18 2.569 14.441 18.426 1.00 0.00 O ATOM 0 H GLY A 18 4.361 12.986 14.803 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.670 15.265 16.314 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.583 14.190 15.458 1.00 0.00 H new ATOM 246 N PHE A 19 2.801 12.355 17.616 1.00 0.00 N ATOM 247 CA PHE A 19 2.326 11.711 18.835 1.00 0.00 C ATOM 248 C PHE A 19 3.277 11.980 19.998 1.00 0.00 C ATOM 249 O PHE A 19 2.845 12.265 21.116 1.00 0.00 O ATOM 250 CB PHE A 19 2.182 10.203 18.618 1.00 0.00 C ATOM 251 CG PHE A 19 1.280 9.537 19.618 1.00 0.00 C ATOM 252 CD1 PHE A 19 -0.085 9.777 19.606 1.00 0.00 C ATOM 253 CD2 PHE A 19 1.796 8.672 20.569 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.918 9.166 20.524 1.00 0.00 C ATOM 255 CE2 PHE A 19 0.968 8.058 21.489 1.00 0.00 C ATOM 256 CZ PHE A 19 -0.391 8.306 21.467 1.00 0.00 C ATOM 0 H PHE A 19 3.057 11.708 16.870 1.00 0.00 H new ATOM 0 HA PHE A 19 1.351 12.130 19.081 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.795 10.024 17.615 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.168 9.741 18.666 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.502 10.449 18.871 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.858 8.475 20.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.980 9.361 20.504 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.383 7.385 22.225 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.040 7.828 22.186 1.00 0.00 H new ATOM 266 N LEU A 20 4.574 11.887 19.727 1.00 0.00 N ATOM 267 CA LEU A 20 5.588 12.120 20.750 1.00 0.00 C ATOM 268 C LEU A 20 5.551 13.566 21.234 1.00 0.00 C ATOM 269 O LEU A 20 5.739 13.840 22.420 1.00 0.00 O ATOM 270 CB LEU A 20 6.978 11.788 20.203 1.00 0.00 C ATOM 271 CG LEU A 20 8.091 11.643 21.242 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.459 10.179 21.428 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.311 12.454 20.833 1.00 0.00 C ATOM 0 H LEU A 20 4.949 11.652 18.808 1.00 0.00 H new ATOM 0 HA LEU A 20 5.372 11.468 21.596 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.912 10.858 19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.265 12.569 19.499 1.00 0.00 H new ATOM 0 HG LEU A 20 7.726 12.029 22.194 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.252 10.095 22.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.584 9.624 21.767 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.805 9.767 20.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.093 12.339 21.584 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.678 12.099 19.870 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.038 13.506 20.752 1.00 0.00 H new ATOM 285 N PHE A 21 5.306 14.488 20.309 1.00 0.00 N ATOM 286 CA PHE A 21 5.243 15.906 20.641 1.00 0.00 C ATOM 287 C PHE A 21 4.006 16.214 21.480 1.00 0.00 C ATOM 288 O PHE A 21 4.069 16.978 22.442 1.00 0.00 O ATOM 289 CB PHE A 21 5.231 16.751 19.366 1.00 0.00 C ATOM 290 CG PHE A 21 6.445 17.622 19.213 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.313 18.981 18.975 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.718 17.083 19.306 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.428 19.786 18.834 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.836 17.883 19.166 1.00 0.00 C ATOM 295 CZ PHE A 21 8.691 19.236 18.929 1.00 0.00 C ATOM 0 H PHE A 21 5.148 14.278 19.323 1.00 0.00 H new ATOM 0 HA PHE A 21 6.129 16.156 21.225 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.157 16.090 18.502 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.340 17.379 19.364 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.328 19.416 18.899 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.838 16.026 19.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.311 20.844 18.650 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.823 17.451 19.242 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.564 19.862 18.818 1.00 0.00 H new ATOM 305 N ALA A 22 2.881 15.614 21.106 1.00 0.00 N ATOM 306 CA ALA A 22 1.629 15.821 21.823 1.00 0.00 C ATOM 307 C ALA A 22 1.729 15.320 23.259 1.00 0.00 C ATOM 308 O ALA A 22 1.330 16.011 24.197 1.00 0.00 O ATOM 309 CB ALA A 22 0.484 15.128 21.099 1.00 0.00 C ATOM 0 H ALA A 22 2.811 14.980 20.310 1.00 0.00 H new ATOM 0 HA ALA A 22 1.430 16.892 21.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.444 15.291 21.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.389 15.537 20.093 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.686 14.059 21.038 1.00 0.00 H new ATOM 315 N ILE A 23 2.264 14.115 23.424 1.00 0.00 N ATOM 316 CA ILE A 23 2.417 13.522 24.747 1.00 0.00 C ATOM 317 C ILE A 23 3.436 14.292 25.580 1.00 0.00 C ATOM 318 O ILE A 23 3.288 14.423 26.796 1.00 0.00 O ATOM 319 CB ILE A 23 2.853 12.048 24.656 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.921 11.426 26.053 1.00 0.00 C ATOM 321 CG2 ILE A 23 4.199 11.936 23.956 1.00 0.00 C ATOM 322 CD1 ILE A 23 1.586 11.393 26.765 1.00 0.00 C ATOM 0 H ILE A 23 2.599 13.530 22.658 1.00 0.00 H new ATOM 0 HA ILE A 23 1.442 13.574 25.231 1.00 0.00 H new ATOM 0 HB ILE A 23 2.114 11.502 24.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.305 10.409 25.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.633 11.988 26.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.494 10.888 23.899 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.121 12.346 22.949 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.949 12.494 24.517 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.709 10.939 27.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.209 12.409 26.879 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.877 10.806 26.181 1.00 0.00 H new ATOM 334 N PHE A 24 4.470 14.801 24.918 1.00 0.00 N ATOM 335 CA PHE A 24 5.514 15.559 25.597 1.00 0.00 C ATOM 336 C PHE A 24 4.974 16.892 26.108 1.00 0.00 C ATOM 337 O PHE A 24 5.304 17.327 27.212 1.00 0.00 O ATOM 338 CB PHE A 24 6.693 15.802 24.653 1.00 0.00 C ATOM 339 CG PHE A 24 7.942 16.252 25.357 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.668 15.370 26.140 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.388 17.558 25.235 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.817 15.781 26.789 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.537 17.975 25.881 1.00 0.00 C ATOM 344 CZ PHE A 24 10.252 17.085 26.660 1.00 0.00 C ATOM 0 H PHE A 24 4.607 14.702 23.912 1.00 0.00 H new ATOM 0 HA PHE A 24 5.856 14.974 26.451 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.905 14.884 24.105 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.410 16.554 23.917 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.332 14.349 26.245 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.832 18.258 24.629 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.374 15.083 27.396 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.876 18.995 25.777 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.149 17.409 27.167 1.00 0.00 H new ATOM 354 N LEU A 25 4.141 17.535 25.297 1.00 0.00 N ATOM 355 CA LEU A 25 3.554 18.819 25.665 1.00 0.00 C ATOM 356 C LEU A 25 2.576 18.658 26.824 1.00 0.00 C ATOM 357 O LEU A 25 2.568 19.460 27.759 1.00 0.00 O ATOM 358 CB LEU A 25 2.841 19.439 24.463 1.00 0.00 C ATOM 359 CG LEU A 25 3.553 20.616 23.794 1.00 0.00 C ATOM 360 CD1 LEU A 25 4.356 20.141 22.593 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.548 21.681 23.378 1.00 0.00 C ATOM 0 H LEU A 25 3.857 17.189 24.381 1.00 0.00 H new ATOM 0 HA LEU A 25 4.359 19.481 25.983 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.688 18.661 23.716 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.854 19.772 24.783 1.00 0.00 H new ATOM 0 HG LEU A 25 4.242 21.056 24.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.856 20.992 22.130 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.102 19.415 22.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.687 19.675 21.869 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.072 22.511 22.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.835 21.253 22.674 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.016 22.043 24.258 1.00 0.00 H new ATOM 373 N ILE A 26 1.753 17.617 26.757 1.00 0.00 N ATOM 374 CA ILE A 26 0.773 17.349 27.802 1.00 0.00 C ATOM 375 C ILE A 26 1.456 17.017 29.124 1.00 0.00 C ATOM 376 O ILE A 26 1.073 17.526 30.179 1.00 0.00 O ATOM 377 CB ILE A 26 -0.161 16.188 27.414 1.00 0.00 C ATOM 378 CG1 ILE A 26 -1.021 16.577 26.210 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.038 15.796 28.594 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.008 17.685 26.505 1.00 0.00 C ATOM 0 H ILE A 26 1.745 16.945 25.990 1.00 0.00 H new ATOM 0 HA ILE A 26 0.181 18.257 27.919 1.00 0.00 H new ATOM 0 HB ILE A 26 0.449 15.328 27.138 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.369 16.890 25.394 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.566 15.699 25.864 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.693 14.974 28.304 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.409 15.482 29.427 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.642 16.651 28.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.583 17.909 25.607 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.684 17.368 27.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.469 18.578 26.822 1.00 0.00 H new ATOM 392 N LEU A 27 2.471 16.162 29.061 1.00 0.00 N ATOM 393 CA LEU A 27 3.210 15.762 30.253 1.00 0.00 C ATOM 394 C LEU A 27 3.909 16.961 30.888 1.00 0.00 C ATOM 395 O LEU A 27 3.908 17.118 32.110 1.00 0.00 O ATOM 396 CB LEU A 27 4.238 14.685 29.903 1.00 0.00 C ATOM 397 CG LEU A 27 3.875 13.255 30.302 1.00 0.00 C ATOM 398 CD1 LEU A 27 3.785 13.129 31.815 1.00 0.00 C ATOM 399 CD2 LEU A 27 2.564 12.836 29.652 1.00 0.00 C ATOM 0 H LEU A 27 2.801 15.732 28.197 1.00 0.00 H new ATOM 0 HA LEU A 27 2.499 15.356 30.972 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.407 14.709 28.826 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.183 14.945 30.380 1.00 0.00 H new ATOM 0 HG LEU A 27 4.662 12.589 29.948 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.526 12.104 32.080 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.746 13.386 32.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.018 13.806 32.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.321 11.815 29.947 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.767 13.506 29.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.663 12.886 28.568 1.00 0.00 H new ATOM 411 N LEU A 28 4.502 17.804 30.051 1.00 0.00 N ATOM 412 CA LEU A 28 5.202 18.991 30.530 1.00 0.00 C ATOM 413 C LEU A 28 4.238 19.952 31.218 1.00 0.00 C ATOM 414 O LEU A 28 4.549 20.512 32.270 1.00 0.00 O ATOM 415 CB LEU A 28 5.902 19.698 29.368 1.00 0.00 C ATOM 416 CG LEU A 28 7.193 20.442 29.714 1.00 0.00 C ATOM 417 CD1 LEU A 28 6.917 21.554 30.713 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.234 19.476 30.261 1.00 0.00 C ATOM 0 H LEU A 28 4.512 17.688 29.038 1.00 0.00 H new ATOM 0 HA LEU A 28 5.949 18.673 31.257 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.128 18.957 28.601 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.203 20.409 28.928 1.00 0.00 H new ATOM 0 HG LEU A 28 7.587 20.891 28.802 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.847 22.072 30.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.206 22.260 30.284 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.499 21.128 31.625 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.146 20.022 30.502 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.849 18.998 31.162 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.454 18.715 29.512 1.00 0.00 H new ATOM 430 N LEU A 29 3.067 20.136 30.619 1.00 0.00 N ATOM 431 CA LEU A 29 2.055 21.028 31.176 1.00 0.00 C ATOM 432 C LEU A 29 1.550 20.508 32.518 1.00 0.00 C ATOM 433 O LEU A 29 1.402 21.269 33.475 1.00 0.00 O ATOM 434 CB LEU A 29 0.886 21.176 30.201 1.00 0.00 C ATOM 435 CG LEU A 29 0.366 22.598 29.988 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.155 22.873 28.507 1.00 0.00 C ATOM 437 CD2 LEU A 29 -0.927 22.815 30.762 1.00 0.00 C ATOM 0 H LEU A 29 2.794 19.680 29.748 1.00 0.00 H new ATOM 0 HA LEU A 29 2.514 22.004 31.335 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.191 20.774 29.235 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.061 20.559 30.557 1.00 0.00 H new ATOM 0 HG LEU A 29 1.113 23.297 30.364 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.215 23.890 28.375 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.101 22.760 27.977 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.572 22.167 28.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.282 23.832 30.599 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.681 22.107 30.417 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.745 22.661 31.826 1.00 0.00 H new ATOM 449 N VAL A 30 1.289 19.206 32.582 1.00 0.00 N ATOM 450 CA VAL A 30 0.804 18.583 33.808 1.00 0.00 C ATOM 451 C VAL A 30 1.824 18.717 34.933 1.00 0.00 C ATOM 452 O VAL A 30 1.475 19.054 36.065 1.00 0.00 O ATOM 453 CB VAL A 30 0.486 17.092 33.592 1.00 0.00 C ATOM 454 CG1 VAL A 30 0.018 16.452 34.890 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.557 16.922 32.498 1.00 0.00 C ATOM 0 H VAL A 30 1.405 18.562 31.799 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.111 19.105 34.088 1.00 0.00 H new ATOM 0 HB VAL A 30 1.398 16.587 33.274 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.202 15.398 34.718 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.802 16.541 35.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.881 16.958 35.241 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.769 15.862 32.359 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.472 17.441 32.784 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.178 17.341 31.566 1.00 0.00 H new ATOM 465 N TYR A 31 3.086 18.451 34.615 1.00 0.00 N ATOM 466 CA TYR A 31 4.157 18.540 35.599 1.00 0.00 C ATOM 467 C TYR A 31 4.321 19.972 36.099 1.00 0.00 C ATOM 468 O TYR A 31 4.426 20.214 37.302 1.00 0.00 O ATOM 469 CB TYR A 31 5.474 18.045 34.998 1.00 0.00 C ATOM 470 CG TYR A 31 6.658 18.193 35.926 1.00 0.00 C ATOM 471 CD1 TYR A 31 7.667 19.109 35.656 1.00 0.00 C ATOM 472 CD2 TYR A 31 6.768 17.417 37.073 1.00 0.00 C ATOM 473 CE1 TYR A 31 8.751 19.247 36.501 1.00 0.00 C ATOM 474 CE2 TYR A 31 7.847 17.549 37.924 1.00 0.00 C ATOM 475 CZ TYR A 31 8.837 18.466 37.634 1.00 0.00 C ATOM 476 OH TYR A 31 9.914 18.600 38.479 1.00 0.00 O ATOM 0 H TYR A 31 3.392 18.172 33.683 1.00 0.00 H new ATOM 0 HA TYR A 31 3.890 17.907 36.445 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.367 16.995 34.725 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.673 18.595 34.078 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.603 19.724 34.770 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.996 16.698 37.303 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.527 19.963 36.275 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.916 16.938 38.812 1.00 0.00 H new ATOM 0 HH TYR A 31 9.820 17.977 39.230 1.00 0.00 H new ATOM 486 N ARG A 32 4.341 20.919 35.167 1.00 0.00 N ATOM 487 CA ARG A 32 4.492 22.327 35.511 1.00 0.00 C ATOM 488 C ARG A 32 3.348 22.794 36.406 1.00 0.00 C ATOM 489 O ARG A 32 3.559 23.541 37.361 1.00 0.00 O ATOM 490 CB ARG A 32 4.542 23.182 34.243 1.00 0.00 C ATOM 491 CG ARG A 32 5.774 24.068 34.154 1.00 0.00 C ATOM 492 CD ARG A 32 5.671 25.051 32.998 1.00 0.00 C ATOM 493 NE ARG A 32 6.557 26.198 33.175 1.00 0.00 N ATOM 494 CZ ARG A 32 6.552 27.260 32.377 1.00 0.00 C ATOM 495 NH1 ARG A 32 5.710 27.322 31.354 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.389 28.265 32.603 1.00 0.00 N ATOM 0 H ARG A 32 4.254 20.736 34.167 1.00 0.00 H new ATOM 0 HA ARG A 32 5.429 22.443 36.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.512 22.527 33.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.651 23.808 34.202 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.898 24.615 35.088 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.661 23.448 34.028 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.918 24.542 32.066 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.642 25.398 32.908 1.00 0.00 H new ATOM 0 HE ARG A 32 7.216 26.183 33.954 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.064 26.553 31.178 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.709 28.139 30.743 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.037 28.222 33.390 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.385 29.080 31.990 1.00 0.00 H new