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 7.476 8.814 5.063 1.00 0.00 N ATOM 136 CA ALA A 10 7.198 10.181 5.483 1.00 0.00 C ATOM 137 C ALA A 10 6.032 10.227 6.465 1.00 0.00 C ATOM 138 O ALA A 10 6.100 10.897 7.496 1.00 0.00 O ATOM 139 CB ALA A 10 6.906 11.056 4.273 1.00 0.00 C ATOM 0 HA ALA A 10 8.082 10.566 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.700 12.075 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.770 11.057 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.039 10.664 3.741 1.00 0.00 H new ATOM 145 N VAL A 11 4.961 9.510 6.139 1.00 0.00 N ATOM 146 CA VAL A 11 3.779 9.468 6.992 1.00 0.00 C ATOM 147 C VAL A 11 4.111 8.886 8.361 1.00 0.00 C ATOM 148 O VAL A 11 3.674 9.403 9.390 1.00 0.00 O ATOM 149 CB VAL A 11 2.653 8.636 6.351 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.428 8.611 7.253 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.302 9.185 4.977 1.00 0.00 C ATOM 0 H VAL A 11 4.888 8.950 5.290 1.00 0.00 H new ATOM 0 HA VAL A 11 3.437 10.496 7.111 1.00 0.00 H new ATOM 0 HB VAL A 11 3.006 7.612 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.643 8.019 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.692 8.168 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.070 9.629 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.505 8.585 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.968 10.218 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.181 9.146 4.334 1.00 0.00 H new ATOM 161 N ILE A 12 4.886 7.807 8.367 1.00 0.00 N ATOM 162 CA ILE A 12 5.278 7.155 9.611 1.00 0.00 C ATOM 163 C ILE A 12 6.097 8.093 10.489 1.00 0.00 C ATOM 164 O ILE A 12 5.835 8.228 11.684 1.00 0.00 O ATOM 165 CB ILE A 12 6.095 5.877 9.343 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.259 4.868 8.552 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.569 5.267 10.654 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.086 3.960 7.669 1.00 0.00 C ATOM 0 H ILE A 12 5.255 7.366 7.525 1.00 0.00 H new ATOM 0 HA ILE A 12 4.358 6.887 10.130 1.00 0.00 H new ATOM 0 HB ILE A 12 6.970 6.141 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.684 4.259 9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.542 5.408 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.145 4.365 10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.196 5.985 11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.706 5.014 11.271 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.429 3.271 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.641 4.560 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.785 3.393 8.284 1.00 0.00 H new ATOM 180 N ALA A 13 7.090 8.742 9.889 1.00 0.00 N ATOM 181 CA ALA A 13 7.945 9.672 10.616 1.00 0.00 C ATOM 182 C ALA A 13 7.134 10.826 11.195 1.00 0.00 C ATOM 183 O ALA A 13 7.345 11.234 12.336 1.00 0.00 O ATOM 184 CB ALA A 13 9.043 10.201 9.705 1.00 0.00 C ATOM 0 H ALA A 13 7.322 8.640 8.901 1.00 0.00 H new ATOM 0 HA ALA A 13 8.404 9.133 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.674 10.894 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.648 9.369 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.594 10.719 8.857 1.00 0.00 H new ATOM 190 N GLY A 14 6.205 11.348 10.400 1.00 0.00 N ATOM 191 CA GLY A 14 5.377 12.451 10.852 1.00 0.00 C ATOM 192 C GLY A 14 4.482 12.066 12.014 1.00 0.00 C ATOM 193 O GLY A 14 4.272 12.857 12.933 1.00 0.00 O ATOM 0 H GLY A 14 6.011 11.027 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.016 13.283 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.761 12.802 10.024 1.00 0.00 H new ATOM 197 N GLY A 15 3.952 10.847 11.973 1.00 0.00 N ATOM 198 CA GLY A 15 3.080 10.381 13.035 1.00 0.00 C ATOM 199 C GLY A 15 3.821 10.161 14.339 1.00 0.00 C ATOM 200 O GLY A 15 3.321 10.503 15.411 1.00 0.00 O ATOM 0 H GLY A 15 4.111 10.174 11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.283 11.108 13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.605 9.449 12.729 1.00 0.00 H new ATOM 204 N VAL A 16 5.017 9.587 14.249 1.00 0.00 N ATOM 205 CA VAL A 16 5.828 9.321 15.431 1.00 0.00 C ATOM 206 C VAL A 16 6.280 10.619 16.091 1.00 0.00 C ATOM 207 O VAL A 16 6.193 10.770 17.310 1.00 0.00 O ATOM 208 CB VAL A 16 7.068 8.477 15.082 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.875 8.170 16.335 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.657 7.194 14.376 1.00 0.00 C ATOM 0 H VAL A 16 5.445 9.297 13.370 1.00 0.00 H new ATOM 0 HA VAL A 16 5.201 8.763 16.126 1.00 0.00 H new ATOM 0 HB VAL A 16 7.699 9.052 14.404 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.747 7.573 16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.201 9.103 16.796 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.256 7.614 17.039 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.546 6.610 14.137 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.005 6.613 15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.125 7.439 13.457 1.00 0.00 H new ATOM 220 N ILE A 17 6.762 11.553 15.278 1.00 0.00 N ATOM 221 CA ILE A 17 7.226 12.839 15.783 1.00 0.00 C ATOM 222 C ILE A 17 6.082 13.630 16.408 1.00 0.00 C ATOM 223 O ILE A 17 6.224 14.198 17.490 1.00 0.00 O ATOM 224 CB ILE A 17 7.869 13.683 14.667 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.054 12.937 14.051 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.312 15.033 15.212 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.419 13.421 12.665 1.00 0.00 C ATOM 0 H ILE A 17 6.841 11.443 14.267 1.00 0.00 H new ATOM 0 HA ILE A 17 7.976 12.626 16.545 1.00 0.00 H new ATOM 0 HB ILE A 17 7.126 13.853 13.888 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.920 13.045 14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.819 11.874 14.005 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.765 15.618 14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.448 15.567 15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.041 14.882 16.008 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.267 12.847 12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.568 13.288 11.997 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.686 14.477 12.707 1.00 0.00 H new ATOM 239 N GLY A 18 4.945 13.661 15.719 1.00 0.00 N ATOM 240 CA GLY A 18 3.791 14.383 16.222 1.00 0.00 C ATOM 241 C GLY A 18 3.267 13.804 17.521 1.00 0.00 C ATOM 242 O GLY A 18 2.925 14.543 18.445 1.00 0.00 O ATOM 0 H GLY A 18 4.803 13.199 14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.059 15.428 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.999 14.363 15.473 1.00 0.00 H new ATOM 246 N PHE A 19 3.201 12.479 17.593 1.00 0.00 N ATOM 247 CA PHE A 19 2.712 11.801 18.788 1.00 0.00 C ATOM 248 C PHE A 19 3.636 12.057 19.975 1.00 0.00 C ATOM 249 O PHE A 19 3.177 12.306 21.091 1.00 0.00 O ATOM 250 CB PHE A 19 2.593 10.297 18.535 1.00 0.00 C ATOM 251 CG PHE A 19 1.204 9.858 18.169 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.967 9.172 16.989 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.134 10.133 19.006 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.310 8.767 16.650 1.00 0.00 C ATOM 255 CE2 PHE A 19 -1.145 9.729 18.673 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.368 9.047 17.493 1.00 0.00 C ATOM 0 H PHE A 19 3.480 11.853 16.838 1.00 0.00 H new ATOM 0 HA PHE A 19 1.726 12.201 19.024 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.277 10.016 17.734 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.911 9.760 19.429 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.790 8.951 16.326 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.302 10.669 19.929 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.481 8.232 15.727 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.970 9.947 19.335 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.367 8.733 17.230 1.00 0.00 H new ATOM 266 N LEU A 20 4.939 11.994 19.727 1.00 0.00 N ATOM 267 CA LEU A 20 5.929 12.218 20.775 1.00 0.00 C ATOM 268 C LEU A 20 5.856 13.650 21.296 1.00 0.00 C ATOM 269 O LEU A 20 5.993 13.893 22.495 1.00 0.00 O ATOM 270 CB LEU A 20 7.335 11.926 20.246 1.00 0.00 C ATOM 271 CG LEU A 20 8.083 10.779 20.927 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.969 10.053 19.927 1.00 0.00 C ATOM 273 CD2 LEU A 20 8.908 11.299 22.094 1.00 0.00 C ATOM 0 H LEU A 20 5.335 11.790 18.810 1.00 0.00 H new ATOM 0 HA LEU A 20 5.709 11.540 21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.262 11.704 19.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.933 12.832 20.343 1.00 0.00 H new ATOM 0 HG LEU A 20 7.350 10.071 21.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.494 9.240 20.429 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.354 9.647 19.124 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.695 10.751 19.510 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.433 10.469 22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.633 12.028 21.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.250 11.773 22.822 1.00 0.00 H new ATOM 285 N PHE A 21 5.638 14.594 20.387 1.00 0.00 N ATOM 286 CA PHE A 21 5.546 16.002 20.754 1.00 0.00 C ATOM 287 C PHE A 21 4.286 16.269 21.574 1.00 0.00 C ATOM 288 O PHE A 21 4.321 16.995 22.566 1.00 0.00 O ATOM 289 CB PHE A 21 5.547 16.880 19.501 1.00 0.00 C ATOM 290 CG PHE A 21 6.417 18.097 19.622 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.790 17.973 19.766 1.00 0.00 C ATOM 292 CD2 PHE A 21 5.863 19.367 19.593 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.594 19.092 19.878 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.662 20.489 19.704 1.00 0.00 C ATOM 295 CZ PHE A 21 8.029 20.351 19.848 1.00 0.00 C ATOM 0 H PHE A 21 5.522 14.409 19.391 1.00 0.00 H new ATOM 0 HA PHE A 21 6.415 16.250 21.363 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.883 16.286 18.651 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.525 17.194 19.286 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.237 16.990 19.791 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.795 19.481 19.482 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.663 18.981 19.989 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.218 21.473 19.678 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.655 21.227 19.937 1.00 0.00 H new ATOM 305 N ALA A 22 3.175 15.675 21.150 1.00 0.00 N ATOM 306 CA ALA A 22 1.905 15.847 21.845 1.00 0.00 C ATOM 307 C ALA A 22 1.978 15.296 23.265 1.00 0.00 C ATOM 308 O ALA A 22 1.506 15.929 24.210 1.00 0.00 O ATOM 309 CB ALA A 22 0.785 15.169 21.070 1.00 0.00 C ATOM 0 H ALA A 22 3.129 15.071 20.329 1.00 0.00 H new ATOM 0 HA ALA A 22 1.694 16.915 21.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.158 15.305 21.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.710 15.611 20.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.999 14.104 20.978 1.00 0.00 H new ATOM 315 N ILE A 23 2.570 14.116 23.407 1.00 0.00 N ATOM 316 CA ILE A 23 2.704 13.481 24.713 1.00 0.00 C ATOM 317 C ILE A 23 3.635 14.280 25.619 1.00 0.00 C ATOM 318 O ILE A 23 3.402 14.391 26.823 1.00 0.00 O ATOM 319 CB ILE A 23 3.238 12.042 24.587 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.294 11.198 23.728 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.409 11.419 25.965 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.964 9.999 23.095 1.00 0.00 C ATOM 0 H ILE A 23 2.965 13.580 22.634 1.00 0.00 H new ATOM 0 HA ILE A 23 1.708 13.452 25.154 1.00 0.00 H new ATOM 0 HB ILE A 23 4.212 12.072 24.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.463 10.856 24.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.872 11.825 22.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.787 10.402 25.860 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.116 12.011 26.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.447 11.397 26.477 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.236 9.447 22.501 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.778 10.334 22.452 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.362 9.350 23.875 1.00 0.00 H new ATOM 334 N PHE A 24 4.690 14.835 25.033 1.00 0.00 N ATOM 335 CA PHE A 24 5.656 15.625 25.787 1.00 0.00 C ATOM 336 C PHE A 24 5.027 16.923 26.285 1.00 0.00 C ATOM 337 O PHE A 24 5.273 17.352 27.413 1.00 0.00 O ATOM 338 CB PHE A 24 6.878 15.937 24.921 1.00 0.00 C ATOM 339 CG PHE A 24 8.146 16.098 25.710 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.858 17.286 25.667 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.627 15.062 26.493 1.00 0.00 C ATOM 342 CE1 PHE A 24 10.025 17.439 26.392 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.793 15.208 27.221 1.00 0.00 C ATOM 344 CZ PHE A 24 10.494 16.398 27.169 1.00 0.00 C ATOM 0 H PHE A 24 4.898 14.752 24.038 1.00 0.00 H new ATOM 0 HA PHE A 24 5.971 15.040 26.651 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.011 15.137 24.193 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.691 16.852 24.358 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.497 18.103 25.059 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.085 14.129 26.535 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.569 18.371 26.351 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.156 14.393 27.830 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.407 16.514 27.735 1.00 0.00 H new ATOM 354 N LEU A 25 4.216 17.544 25.436 1.00 0.00 N ATOM 355 CA LEU A 25 3.552 18.794 25.789 1.00 0.00 C ATOM 356 C LEU A 25 2.523 18.571 26.893 1.00 0.00 C ATOM 357 O LEU A 25 2.423 19.364 27.830 1.00 0.00 O ATOM 358 CB LEU A 25 2.873 19.398 24.558 1.00 0.00 C ATOM 359 CG LEU A 25 3.554 20.625 23.950 1.00 0.00 C ATOM 360 CD1 LEU A 25 5.016 20.330 23.651 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.828 21.067 22.688 1.00 0.00 C ATOM 0 H LEU A 25 4.002 17.203 24.499 1.00 0.00 H new ATOM 0 HA LEU A 25 4.308 19.488 26.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.805 18.627 23.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.852 19.670 24.828 1.00 0.00 H new ATOM 0 HG LEU A 25 3.509 21.438 24.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.485 21.214 23.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.529 20.062 24.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.083 19.502 22.945 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.326 21.941 22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.841 20.257 21.958 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.796 21.320 22.931 1.00 0.00 H new ATOM 373 N ILE A 26 1.764 17.487 26.777 1.00 0.00 N ATOM 374 CA ILE A 26 0.746 17.159 27.768 1.00 0.00 C ATOM 375 C ILE A 26 1.376 16.857 29.124 1.00 0.00 C ATOM 376 O ILE A 26 0.910 17.339 30.158 1.00 0.00 O ATOM 377 CB ILE A 26 -0.099 15.950 27.327 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.802 16.248 26.001 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.114 15.592 28.402 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.072 15.013 25.169 1.00 0.00 C ATOM 0 H ILE A 26 1.834 16.821 26.007 1.00 0.00 H new ATOM 0 HA ILE A 26 0.099 18.032 27.857 1.00 0.00 H new ATOM 0 HB ILE A 26 0.563 15.096 27.182 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.747 16.752 26.205 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.190 16.940 25.422 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.703 14.735 28.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.593 15.342 29.326 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.774 16.442 28.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.572 15.300 24.244 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.129 14.519 24.934 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.710 14.329 25.729 1.00 0.00 H new ATOM 392 N LEU A 27 2.437 16.059 29.112 1.00 0.00 N ATOM 393 CA LEU A 27 3.133 15.694 30.342 1.00 0.00 C ATOM 394 C LEU A 27 3.730 16.926 31.016 1.00 0.00 C ATOM 395 O LEU A 27 3.656 17.076 32.236 1.00 0.00 O ATOM 396 CB LEU A 27 4.236 14.677 30.044 1.00 0.00 C ATOM 397 CG LEU A 27 3.787 13.223 29.900 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.915 12.368 29.342 1.00 0.00 C ATOM 399 CD2 LEU A 27 3.312 12.676 31.238 1.00 0.00 C ATOM 0 H LEU A 27 2.835 15.652 28.265 1.00 0.00 H new ATOM 0 HA LEU A 27 2.408 15.246 31.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.737 14.974 29.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.977 14.730 30.842 1.00 0.00 H new ATOM 0 HG LEU A 27 2.953 13.189 29.200 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.577 11.336 29.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.208 12.746 28.362 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.770 12.408 30.017 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.996 11.640 31.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.126 12.725 31.961 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.472 13.271 31.597 1.00 0.00 H new ATOM 411 N LEU A 28 4.319 17.806 30.213 1.00 0.00 N ATOM 412 CA LEU A 28 4.927 19.026 30.732 1.00 0.00 C ATOM 413 C LEU A 28 3.876 19.928 31.372 1.00 0.00 C ATOM 414 O LEU A 28 4.100 20.499 32.440 1.00 0.00 O ATOM 415 CB LEU A 28 5.646 19.778 29.610 1.00 0.00 C ATOM 416 CG LEU A 28 7.172 19.814 29.697 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.781 19.992 28.315 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.627 20.926 30.630 1.00 0.00 C ATOM 0 H LEU A 28 4.388 17.697 29.201 1.00 0.00 H new ATOM 0 HA LEU A 28 5.652 18.745 31.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.367 19.325 28.659 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.279 20.804 29.594 1.00 0.00 H new ATOM 0 HG LEU A 28 7.516 18.863 30.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.868 20.015 28.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.483 19.161 27.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.430 20.928 27.880 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.716 20.937 30.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.272 21.885 30.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.220 20.754 31.626 1.00 0.00 H new ATOM 430 N LEU A 29 2.730 20.052 30.713 1.00 0.00 N ATOM 431 CA LEU A 29 1.642 20.883 31.218 1.00 0.00 C ATOM 432 C LEU A 29 1.097 20.328 32.530 1.00 0.00 C ATOM 433 O LEU A 29 0.858 21.073 33.480 1.00 0.00 O ATOM 434 CB LEU A 29 0.519 20.972 30.183 1.00 0.00 C ATOM 435 CG LEU A 29 -0.348 22.230 30.241 1.00 0.00 C ATOM 436 CD1 LEU A 29 -1.243 22.318 29.015 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.181 22.246 31.514 1.00 0.00 C ATOM 0 H LEU A 29 2.529 19.588 29.827 1.00 0.00 H new ATOM 0 HA LEU A 29 2.037 21.882 31.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.962 20.905 29.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.128 20.103 30.303 1.00 0.00 H new ATOM 0 HG LEU A 29 0.308 23.100 30.250 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.853 23.220 29.074 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.627 22.354 28.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.892 21.443 28.975 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.792 23.149 31.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.828 21.369 31.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.521 22.232 32.381 1.00 0.00 H new ATOM 449 N VAL A 30 0.906 19.013 32.576 1.00 0.00 N ATOM 450 CA VAL A 30 0.392 18.357 33.773 1.00 0.00 C ATOM 451 C VAL A 30 1.343 18.540 34.951 1.00 0.00 C ATOM 452 O VAL A 30 0.917 18.850 36.064 1.00 0.00 O ATOM 453 CB VAL A 30 0.170 16.852 33.536 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.331 16.180 34.806 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.802 16.631 32.387 1.00 0.00 C ATOM 0 H VAL A 30 1.099 18.381 31.799 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.564 18.826 34.005 1.00 0.00 H new ATOM 0 HB VAL A 30 1.124 16.400 33.266 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.482 15.117 34.620 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.405 16.308 35.600 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.275 16.633 35.109 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.947 15.562 32.234 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.758 17.096 32.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.398 17.076 31.478 1.00 0.00 H new ATOM 465 N TYR A 31 2.633 18.347 34.698 1.00 0.00 N ATOM 466 CA TYR A 31 3.645 18.489 35.738 1.00 0.00 C ATOM 467 C TYR A 31 3.770 19.944 36.182 1.00 0.00 C ATOM 468 O TYR A 31 3.910 20.232 37.371 1.00 0.00 O ATOM 469 CB TYR A 31 4.997 17.979 35.237 1.00 0.00 C ATOM 470 CG TYR A 31 5.437 16.689 35.890 1.00 0.00 C ATOM 471 CD1 TYR A 31 5.719 16.637 37.250 1.00 0.00 C ATOM 472 CD2 TYR A 31 5.573 15.522 35.148 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.123 15.461 37.851 1.00 0.00 C ATOM 474 CE2 TYR A 31 5.975 14.341 35.742 1.00 0.00 C ATOM 475 CZ TYR A 31 6.249 14.316 37.093 1.00 0.00 C ATOM 476 OH TYR A 31 6.650 13.141 37.687 1.00 0.00 O ATOM 0 H TYR A 31 3.002 18.092 33.782 1.00 0.00 H new ATOM 0 HA TYR A 31 3.334 17.892 36.595 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.943 17.830 34.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.753 18.743 35.416 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.621 17.532 37.847 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.361 15.538 34.089 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.339 15.438 38.909 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.074 13.442 35.151 1.00 0.00 H new ATOM 0 HH TYR A 31 6.687 12.430 37.014 1.00 0.00 H new ATOM 486 N ARG A 32 3.717 20.856 35.217 1.00 0.00 N ATOM 487 CA ARG A 32 3.825 22.281 35.506 1.00 0.00 C ATOM 488 C ARG A 32 2.702 22.734 36.434 1.00 0.00 C ATOM 489 O ARG A 32 2.920 23.532 37.345 1.00 0.00 O ATOM 490 CB ARG A 32 3.788 23.091 34.209 1.00 0.00 C ATOM 491 CG ARG A 32 3.869 24.593 34.426 1.00 0.00 C ATOM 492 CD ARG A 32 5.232 25.006 34.959 1.00 0.00 C ATOM 493 NE ARG A 32 6.213 25.166 33.889 1.00 0.00 N ATOM 494 CZ ARG A 32 6.189 26.165 33.014 1.00 0.00 C ATOM 495 NH1 ARG A 32 5.238 27.087 33.081 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.117 26.242 32.068 1.00 0.00 N ATOM 0 H ARG A 32 3.600 20.634 34.228 1.00 0.00 H new ATOM 0 HA ARG A 32 4.778 22.453 36.006 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.616 22.779 33.572 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.868 22.859 33.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.673 25.109 33.486 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.094 24.903 35.127 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.138 25.943 35.507 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.587 24.257 35.667 1.00 0.00 H new ATOM 0 HE ARG A 32 6.957 24.473 33.809 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.523 27.030 33.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.222 27.853 32.408 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.849 25.534 32.013 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.098 27.009 31.396 1.00 0.00 H new