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 7.454 8.834 5.042 1.00 0.00 N ATOM 136 CA ALA A 10 7.183 10.198 5.479 1.00 0.00 C ATOM 137 C ALA A 10 6.033 10.235 6.480 1.00 0.00 C ATOM 138 O ALA A 10 6.117 10.900 7.513 1.00 0.00 O ATOM 139 CB ALA A 10 6.872 11.084 4.282 1.00 0.00 C ATOM 0 HA ALA A 10 8.076 10.578 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.672 12.100 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.725 11.091 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.996 10.697 3.761 1.00 0.00 H new ATOM 145 N VAL A 11 4.959 9.517 6.167 1.00 0.00 N ATOM 146 CA VAL A 11 3.792 9.468 7.040 1.00 0.00 C ATOM 147 C VAL A 11 4.145 8.866 8.396 1.00 0.00 C ATOM 148 O VAL A 11 3.729 9.372 9.438 1.00 0.00 O ATOM 149 CB VAL A 11 2.653 8.647 6.408 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.457 8.581 7.346 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.254 9.238 5.064 1.00 0.00 C ATOM 0 H VAL A 11 4.873 8.962 5.316 1.00 0.00 H new ATOM 0 HA VAL A 11 3.456 10.496 7.178 1.00 0.00 H new ATOM 0 HB VAL A 11 3.010 7.631 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.662 7.997 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.755 8.109 8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.096 9.590 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.448 8.646 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.915 10.265 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.113 9.228 4.393 1.00 0.00 H new ATOM 161 N ILE A 12 4.915 7.783 8.374 1.00 0.00 N ATOM 162 CA ILE A 12 5.325 7.113 9.602 1.00 0.00 C ATOM 163 C ILE A 12 6.158 8.040 10.482 1.00 0.00 C ATOM 164 O ILE A 12 5.913 8.158 11.682 1.00 0.00 O ATOM 165 CB ILE A 12 6.138 5.839 9.304 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.285 4.835 8.527 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.647 5.221 10.597 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.092 3.927 7.625 1.00 0.00 C ATOM 0 H ILE A 12 5.267 7.351 7.520 1.00 0.00 H new ATOM 0 HA ILE A 12 4.413 6.837 10.130 1.00 0.00 H new ATOM 0 HB ILE A 12 6.998 6.109 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.722 4.225 9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.557 5.378 7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.219 4.322 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.285 5.936 11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.801 4.961 11.234 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.422 3.242 7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.634 4.528 6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.802 3.357 8.224 1.00 0.00 H new ATOM 180 N ALA A 13 7.142 8.696 9.876 1.00 0.00 N ATOM 181 CA ALA A 13 8.008 9.615 10.603 1.00 0.00 C ATOM 182 C ALA A 13 7.206 10.762 11.209 1.00 0.00 C ATOM 183 O ALA A 13 7.429 11.150 12.355 1.00 0.00 O ATOM 184 CB ALA A 13 9.094 10.156 9.684 1.00 0.00 C ATOM 0 H ALA A 13 7.359 8.608 8.883 1.00 0.00 H new ATOM 0 HA ALA A 13 8.478 9.064 11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.733 10.841 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.693 9.329 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.634 10.686 8.850 1.00 0.00 H new ATOM 190 N GLY A 14 6.273 11.302 10.431 1.00 0.00 N ATOM 191 CA GLY A 14 5.453 12.399 10.909 1.00 0.00 C ATOM 192 C GLY A 14 4.564 11.997 12.069 1.00 0.00 C ATOM 193 O GLY A 14 4.340 12.781 12.990 1.00 0.00 O ATOM 0 H GLY A 14 6.071 10.999 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.097 13.222 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.833 12.768 10.092 1.00 0.00 H new ATOM 197 N GLY A 15 4.053 10.770 12.024 1.00 0.00 N ATOM 198 CA GLY A 15 3.188 10.287 13.084 1.00 0.00 C ATOM 199 C GLY A 15 3.936 10.050 14.380 1.00 0.00 C ATOM 200 O GLY A 15 3.436 10.363 15.461 1.00 0.00 O ATOM 0 H GLY A 15 4.223 10.102 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.390 11.010 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.714 9.358 12.767 1.00 0.00 H new ATOM 204 N VAL A 16 5.139 9.493 14.275 1.00 0.00 N ATOM 205 CA VAL A 16 5.957 9.213 15.448 1.00 0.00 C ATOM 206 C VAL A 16 6.402 10.503 16.129 1.00 0.00 C ATOM 207 O VAL A 16 6.283 10.648 17.346 1.00 0.00 O ATOM 208 CB VAL A 16 7.202 8.385 15.079 1.00 0.00 C ATOM 209 CG1 VAL A 16 8.057 8.128 16.311 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.795 7.076 14.421 1.00 0.00 C ATOM 0 H VAL A 16 5.568 9.227 13.389 1.00 0.00 H new ATOM 0 HA VAL A 16 5.337 8.638 16.136 1.00 0.00 H new ATOM 0 HB VAL A 16 7.797 8.955 14.365 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.932 7.542 16.031 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.378 9.079 16.736 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.474 7.579 17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.687 6.504 14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.178 6.499 15.110 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.228 7.286 13.514 1.00 0.00 H new ATOM 220 N ILE A 17 6.913 11.438 15.335 1.00 0.00 N ATOM 221 CA ILE A 17 7.374 12.717 15.861 1.00 0.00 C ATOM 222 C ILE A 17 6.217 13.519 16.447 1.00 0.00 C ATOM 223 O ILE A 17 6.338 14.111 17.519 1.00 0.00 O ATOM 224 CB ILE A 17 8.066 13.557 14.771 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.540 14.892 15.350 1.00 0.00 C ATOM 226 CG2 ILE A 17 7.123 13.786 13.600 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.528 14.742 16.485 1.00 0.00 C ATOM 0 H ILE A 17 7.018 11.334 14.326 1.00 0.00 H new ATOM 0 HA ILE A 17 8.094 12.494 16.648 1.00 0.00 H new ATOM 0 HB ILE A 17 8.936 13.010 14.409 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.998 15.481 14.556 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.675 15.453 15.704 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.627 14.381 12.838 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.830 12.826 13.175 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.235 14.316 13.946 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.820 15.728 16.846 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.067 14.180 17.297 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.411 14.209 16.131 1.00 0.00 H new ATOM 239 N GLY A 18 5.093 13.534 15.736 1.00 0.00 N ATOM 240 CA GLY A 18 3.930 14.265 16.202 1.00 0.00 C ATOM 241 C GLY A 18 3.376 13.707 17.498 1.00 0.00 C ATOM 242 O GLY A 18 3.020 14.461 18.405 1.00 0.00 O ATOM 0 H GLY A 18 4.968 13.053 14.846 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.196 15.312 16.345 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.155 14.235 15.436 1.00 0.00 H new ATOM 246 N PHE A 19 3.301 12.383 17.587 1.00 0.00 N ATOM 247 CA PHE A 19 2.784 11.725 18.781 1.00 0.00 C ATOM 248 C PHE A 19 3.689 11.986 19.982 1.00 0.00 C ATOM 249 O PHE A 19 3.213 12.254 21.086 1.00 0.00 O ATOM 250 CB PHE A 19 2.654 10.219 18.544 1.00 0.00 C ATOM 251 CG PHE A 19 1.257 9.783 18.210 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.982 9.155 17.006 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.217 10.002 19.099 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.303 8.752 16.695 1.00 0.00 C ATOM 255 CE2 PHE A 19 -1.070 9.600 18.794 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.331 8.976 17.590 1.00 0.00 C ATOM 0 H PHE A 19 3.592 11.745 16.846 1.00 0.00 H new ATOM 0 HA PHE A 19 1.798 12.139 18.995 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.321 9.928 17.732 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.988 9.689 19.436 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.782 8.978 16.302 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.414 10.492 20.041 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.503 8.263 15.753 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.871 9.774 19.497 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.336 8.664 17.349 1.00 0.00 H new ATOM 266 N LEU A 20 4.996 11.906 19.758 1.00 0.00 N ATOM 267 CA LEU A 20 5.969 12.133 20.820 1.00 0.00 C ATOM 268 C LEU A 20 5.902 13.572 21.322 1.00 0.00 C ATOM 269 O LEU A 20 6.020 13.829 22.520 1.00 0.00 O ATOM 270 CB LEU A 20 7.381 11.821 20.321 1.00 0.00 C ATOM 271 CG LEU A 20 8.311 11.137 21.323 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.163 9.625 21.243 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.756 11.547 21.076 1.00 0.00 C ATOM 0 H LEU A 20 5.406 11.686 18.850 1.00 0.00 H new ATOM 0 HA LEU A 20 5.727 11.467 21.648 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.301 11.186 19.438 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.846 12.754 20.002 1.00 0.00 H new ATOM 0 HG LEU A 20 8.030 11.456 22.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.833 9.155 21.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.134 9.348 21.470 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.417 9.287 20.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.404 11.050 21.799 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.049 11.257 20.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.851 12.627 21.185 1.00 0.00 H new ATOM 285 N PHE A 21 5.710 14.507 20.397 1.00 0.00 N ATOM 286 CA PHE A 21 5.626 15.921 20.746 1.00 0.00 C ATOM 287 C PHE A 21 4.356 16.210 21.540 1.00 0.00 C ATOM 288 O PHE A 21 4.381 16.948 22.525 1.00 0.00 O ATOM 289 CB PHE A 21 5.658 16.782 19.481 1.00 0.00 C ATOM 290 CG PHE A 21 6.174 18.173 19.717 1.00 0.00 C ATOM 291 CD1 PHE A 21 5.299 19.241 19.829 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.534 18.412 19.825 1.00 0.00 C ATOM 293 CE1 PHE A 21 5.770 20.522 20.045 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.012 19.691 20.042 1.00 0.00 C ATOM 295 CZ PHE A 21 7.129 20.747 20.151 1.00 0.00 C ATOM 0 H PHE A 21 5.610 14.311 19.401 1.00 0.00 H new ATOM 0 HA PHE A 21 6.486 16.169 21.368 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.283 16.293 18.734 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.652 16.842 19.066 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.236 19.070 19.747 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.229 17.590 19.739 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.077 21.346 20.131 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.075 19.864 20.126 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.500 21.747 20.319 1.00 0.00 H new ATOM 305 N ALA A 22 3.245 15.624 21.104 1.00 0.00 N ATOM 306 CA ALA A 22 1.965 15.817 21.774 1.00 0.00 C ATOM 307 C ALA A 22 2.008 15.285 23.202 1.00 0.00 C ATOM 308 O ALA A 22 1.531 15.937 24.132 1.00 0.00 O ATOM 309 CB ALA A 22 0.851 15.141 20.989 1.00 0.00 C ATOM 0 H ALA A 22 3.206 15.011 20.289 1.00 0.00 H new ATOM 0 HA ALA A 22 1.764 16.887 21.819 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.099 15.293 21.501 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.797 15.572 19.989 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.055 14.073 20.914 1.00 0.00 H new ATOM 315 N ILE A 23 2.579 14.097 23.369 1.00 0.00 N ATOM 316 CA ILE A 23 2.683 13.478 24.684 1.00 0.00 C ATOM 317 C ILE A 23 3.608 14.277 25.597 1.00 0.00 C ATOM 318 O ILE A 23 3.358 14.401 26.796 1.00 0.00 O ATOM 319 CB ILE A 23 3.202 12.031 24.586 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.265 11.187 23.720 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.342 11.423 25.974 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.931 9.970 23.118 1.00 0.00 C ATOM 0 H ILE A 23 2.977 13.544 22.610 1.00 0.00 H new ATOM 0 HA ILE A 23 1.679 13.467 25.108 1.00 0.00 H new ATOM 0 HB ILE A 23 4.185 12.045 24.116 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.417 10.865 24.324 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.868 11.808 22.917 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.710 10.400 25.888 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.046 12.013 26.561 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.371 11.419 26.469 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.207 9.419 22.517 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.762 10.285 22.487 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.304 9.328 23.916 1.00 0.00 H new ATOM 334 N PHE A 24 4.676 14.818 25.020 1.00 0.00 N ATOM 335 CA PHE A 24 5.638 15.607 25.781 1.00 0.00 C ATOM 336 C PHE A 24 5.014 16.915 26.256 1.00 0.00 C ATOM 337 O PHE A 24 5.251 17.357 27.381 1.00 0.00 O ATOM 338 CB PHE A 24 6.876 15.898 24.931 1.00 0.00 C ATOM 339 CG PHE A 24 8.031 16.444 25.721 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.191 17.810 25.887 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.958 15.590 26.297 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.252 18.315 26.614 1.00 0.00 C ATOM 343 CE2 PHE A 24 10.021 16.089 27.026 1.00 0.00 C ATOM 344 CZ PHE A 24 10.169 17.453 27.183 1.00 0.00 C ATOM 0 H PHE A 24 4.897 14.725 24.029 1.00 0.00 H new ATOM 0 HA PHE A 24 5.934 15.028 26.656 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.189 14.980 24.433 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.611 16.611 24.150 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.478 18.488 25.443 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.849 14.523 26.175 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.364 19.382 26.737 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.735 15.413 27.472 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.000 17.845 27.750 1.00 0.00 H new ATOM 354 N LEU A 25 4.215 17.531 25.391 1.00 0.00 N ATOM 355 CA LEU A 25 3.556 18.790 25.721 1.00 0.00 C ATOM 356 C LEU A 25 2.518 18.590 26.820 1.00 0.00 C ATOM 357 O LEU A 25 2.422 19.391 27.751 1.00 0.00 O ATOM 358 CB LEU A 25 2.891 19.382 24.477 1.00 0.00 C ATOM 359 CG LEU A 25 3.431 20.732 24.005 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.369 21.754 25.130 1.00 0.00 C ATOM 361 CD2 LEU A 25 4.856 20.587 23.491 1.00 0.00 C ATOM 0 H LEU A 25 4.008 17.179 24.456 1.00 0.00 H new ATOM 0 HA LEU A 25 4.314 19.484 26.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.993 18.667 23.660 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.825 19.489 24.676 1.00 0.00 H new ATOM 0 HG LEU A 25 2.805 21.086 23.185 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.757 22.709 24.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.335 21.879 25.451 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.970 21.407 25.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.224 21.558 23.159 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.495 20.211 24.290 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.872 19.888 22.655 1.00 0.00 H new ATOM 373 N ILE A 26 1.744 17.516 26.707 1.00 0.00 N ATOM 374 CA ILE A 26 0.716 17.209 27.693 1.00 0.00 C ATOM 375 C ILE A 26 1.332 16.904 29.054 1.00 0.00 C ATOM 376 O ILE A 26 0.867 17.396 30.083 1.00 0.00 O ATOM 377 CB ILE A 26 -0.147 16.011 27.253 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.959 16.370 26.007 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.066 15.576 28.384 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.007 17.433 26.255 1.00 0.00 C ATOM 0 H ILE A 26 1.809 16.844 25.942 1.00 0.00 H new ATOM 0 HA ILE A 26 0.083 18.093 27.773 1.00 0.00 H new ATOM 0 HB ILE A 26 0.512 15.178 27.007 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.280 16.715 25.228 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.447 15.471 25.629 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.669 14.729 28.057 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.468 15.284 29.247 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.721 16.403 28.659 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.544 17.638 25.329 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.709 17.082 27.012 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.524 18.346 26.603 1.00 0.00 H new ATOM 392 N LEU A 27 2.383 16.091 29.053 1.00 0.00 N ATOM 393 CA LEU A 27 3.066 15.721 30.287 1.00 0.00 C ATOM 394 C LEU A 27 3.673 16.947 30.962 1.00 0.00 C ATOM 395 O LEU A 27 3.592 17.101 32.182 1.00 0.00 O ATOM 396 CB LEU A 27 4.159 14.689 30.000 1.00 0.00 C ATOM 397 CG LEU A 27 4.232 13.503 30.962 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.501 13.983 32.380 1.00 0.00 C ATOM 399 CD2 LEU A 27 2.947 12.691 30.906 1.00 0.00 C ATOM 0 H LEU A 27 2.781 15.675 28.211 1.00 0.00 H new ATOM 0 HA LEU A 27 2.331 15.283 30.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.011 14.304 28.991 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.123 15.198 30.009 1.00 0.00 H new ATOM 0 HG LEU A 27 5.057 12.860 30.655 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.550 13.126 33.051 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.449 14.521 32.409 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.697 14.647 32.698 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.017 11.851 31.597 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.105 13.323 31.187 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.797 12.316 29.893 1.00 0.00 H new ATOM 411 N LEU A 28 4.278 17.817 30.162 1.00 0.00 N ATOM 412 CA LEU A 28 4.897 19.032 30.681 1.00 0.00 C ATOM 413 C LEU A 28 3.853 19.949 31.309 1.00 0.00 C ATOM 414 O LEU A 28 4.075 20.520 32.378 1.00 0.00 O ATOM 415 CB LEU A 28 5.635 19.770 29.563 1.00 0.00 C ATOM 416 CG LEU A 28 7.162 19.749 29.639 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.644 20.464 30.892 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.678 18.318 29.607 1.00 0.00 C ATOM 0 H LEU A 28 4.353 17.704 29.151 1.00 0.00 H new ATOM 0 HA LEU A 28 5.612 18.745 31.452 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.333 19.338 28.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.306 20.809 29.562 1.00 0.00 H new ATOM 0 HG LEU A 28 7.557 20.276 28.770 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.733 20.439 30.929 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.305 21.500 30.873 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.239 19.966 31.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.767 18.322 29.662 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.274 17.766 30.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.363 17.838 28.680 1.00 0.00 H new ATOM 430 N LEU A 29 2.714 20.085 30.639 1.00 0.00 N ATOM 431 CA LEU A 29 1.633 20.932 31.133 1.00 0.00 C ATOM 432 C LEU A 29 1.070 20.389 32.442 1.00 0.00 C ATOM 433 O LEU A 29 0.831 21.141 33.387 1.00 0.00 O ATOM 434 CB LEU A 29 0.520 21.033 30.088 1.00 0.00 C ATOM 435 CG LEU A 29 0.359 22.392 29.407 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.171 23.423 30.392 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.683 22.852 28.813 1.00 0.00 C ATOM 0 H LEU A 29 2.515 19.620 29.753 1.00 0.00 H new ATOM 0 HA LEU A 29 2.040 21.926 31.319 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.703 20.283 29.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.425 20.775 30.567 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.363 22.287 28.597 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.279 24.384 29.890 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.141 23.100 30.770 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.527 23.525 31.223 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.549 23.821 28.332 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.426 22.940 29.605 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.023 22.125 28.075 1.00 0.00 H new ATOM 449 N VAL A 30 0.860 19.077 32.491 1.00 0.00 N ATOM 450 CA VAL A 30 0.328 18.432 33.685 1.00 0.00 C ATOM 451 C VAL A 30 1.271 18.606 34.870 1.00 0.00 C ATOM 452 O VAL A 30 0.840 18.925 35.978 1.00 0.00 O ATOM 453 CB VAL A 30 0.087 16.928 33.451 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.432 16.267 34.718 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.879 16.717 32.295 1.00 0.00 C ATOM 0 H VAL A 30 1.050 18.440 31.717 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.624 18.914 33.908 1.00 0.00 H new ATOM 0 HB VAL A 30 1.037 16.462 33.190 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.596 15.205 34.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.299 16.387 35.517 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.372 16.734 35.013 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.038 15.649 32.144 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.831 17.196 32.524 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.462 17.154 31.388 1.00 0.00 H new ATOM 465 N TYR A 31 2.560 18.395 34.629 1.00 0.00 N ATOM 466 CA TYR A 31 3.565 18.526 35.677 1.00 0.00 C ATOM 467 C TYR A 31 3.631 19.961 36.191 1.00 0.00 C ATOM 468 O TYR A 31 3.595 20.202 37.398 1.00 0.00 O ATOM 469 CB TYR A 31 4.937 18.096 35.154 1.00 0.00 C ATOM 470 CG TYR A 31 5.762 17.340 36.171 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.094 16.005 35.970 1.00 0.00 C ATOM 472 CD2 TYR A 31 6.209 17.958 37.332 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.848 15.310 36.896 1.00 0.00 C ATOM 474 CE2 TYR A 31 6.963 17.271 38.262 1.00 0.00 C ATOM 475 CZ TYR A 31 7.280 15.947 38.040 1.00 0.00 C ATOM 476 OH TYR A 31 8.031 15.259 38.965 1.00 0.00 O ATOM 0 H TYR A 31 2.934 18.132 33.717 1.00 0.00 H new ATOM 0 HA TYR A 31 3.279 17.876 36.503 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.801 17.471 34.272 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.489 18.980 34.836 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.757 15.503 35.075 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.962 18.994 37.510 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.098 14.273 36.725 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.303 17.768 39.159 1.00 0.00 H new ATOM 0 HH TYR A 31 8.255 15.853 39.712 1.00 0.00 H new ATOM 486 N ARG A 32 3.728 20.910 35.266 1.00 0.00 N ATOM 487 CA ARG A 32 3.800 22.322 35.624 1.00 0.00 C ATOM 488 C ARG A 32 2.537 22.761 36.360 1.00 0.00 C ATOM 489 O ARG A 32 2.598 23.553 37.300 1.00 0.00 O ATOM 490 CB ARG A 32 3.998 23.178 34.372 1.00 0.00 C ATOM 491 CG ARG A 32 5.452 23.316 33.952 1.00 0.00 C ATOM 492 CD ARG A 32 5.587 24.118 32.667 1.00 0.00 C ATOM 493 NE ARG A 32 5.884 25.523 32.928 1.00 0.00 N ATOM 494 CZ ARG A 32 6.199 26.396 31.977 1.00 0.00 C ATOM 495 NH1 ARG A 32 6.258 26.010 30.710 1.00 0.00 N ATOM 496 NH2 ARG A 32 6.457 27.659 32.293 1.00 0.00 N ATOM 0 H ARG A 32 3.759 20.727 34.263 1.00 0.00 H new ATOM 0 HA ARG A 32 4.653 22.460 36.288 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.431 22.741 33.550 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.585 24.171 34.552 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.017 23.803 34.747 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.887 22.326 33.812 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.378 23.688 32.053 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.663 24.043 32.094 1.00 0.00 H new ATOM 0 HE ARG A 32 5.848 25.853 33.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.061 25.040 30.463 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.500 26.683 29.983 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.414 27.960 33.267 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.699 28.328 31.562 1.00 0.00 H new