USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 146 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 15 SER OG : rot 180:sc= -1.98! USER MOD Single : A 17 GLN : amide:sc= -0.0368 K(o=-0.037,f=-0.97) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 26.944 -2.742 -11.689 1.00 0.00 N ATOM 226 CA SER A 15 28.320 -3.303 -11.744 1.00 0.00 C ATOM 227 C SER A 15 28.356 -4.674 -11.064 1.00 0.00 C ATOM 228 O SER A 15 28.518 -4.762 -9.864 1.00 0.00 O ATOM 229 CB SER A 15 29.262 -2.356 -11.011 1.00 0.00 C ATOM 230 OG SER A 15 30.472 -3.037 -10.707 1.00 0.00 O ATOM 0 HA SER A 15 28.627 -3.415 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 15 29.469 -1.481 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 15 28.794 -1.996 -10.095 1.00 0.00 H new ATOM 0 HG SER A 15 31.080 -2.429 -10.237 1.00 0.00 H new ATOM 236 N PRO A 16 28.209 -5.702 -11.857 1.00 0.00 N ATOM 237 CA PRO A 16 28.213 -7.142 -11.448 1.00 0.00 C ATOM 238 C PRO A 16 29.623 -7.724 -11.568 1.00 0.00 C ATOM 239 O PRO A 16 30.269 -8.026 -10.582 1.00 0.00 O ATOM 240 CB PRO A 16 27.277 -7.829 -12.434 1.00 0.00 C ATOM 241 CG PRO A 16 27.261 -6.964 -13.685 1.00 0.00 C ATOM 242 CD PRO A 16 27.996 -5.666 -13.341 1.00 0.00 C ATOM 0 HA PRO A 16 27.898 -7.277 -10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.625 -8.836 -12.663 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.275 -7.925 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 16 27.750 -7.476 -14.514 1.00 0.00 H new ATOM 0 HG3 PRO A 16 26.238 -6.757 -13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 16 28.946 -5.601 -13.872 1.00 0.00 H new ATOM 0 HD3 PRO A 16 27.409 -4.795 -13.631 1.00 0.00 H new ATOM 250 N GLN A 17 30.106 -7.881 -12.769 1.00 0.00 N ATOM 251 CA GLN A 17 31.472 -8.439 -12.950 1.00 0.00 C ATOM 252 C GLN A 17 32.466 -7.548 -12.214 1.00 0.00 C ATOM 253 O GLN A 17 33.268 -8.007 -11.424 1.00 0.00 O ATOM 254 CB GLN A 17 31.814 -8.479 -14.439 1.00 0.00 C ATOM 255 CG GLN A 17 31.002 -9.583 -15.118 1.00 0.00 C ATOM 256 CD GLN A 17 31.813 -10.181 -16.269 1.00 0.00 C ATOM 257 OE1 GLN A 17 32.707 -9.546 -16.791 1.00 0.00 O ATOM 258 NE2 GLN A 17 31.535 -11.385 -16.687 1.00 0.00 N ATOM 0 H GLN A 17 29.613 -7.647 -13.631 1.00 0.00 H new ATOM 0 HA GLN A 17 31.519 -9.452 -12.549 1.00 0.00 H new ATOM 0 HB2 GLN A 17 31.595 -7.516 -14.900 1.00 0.00 H new ATOM 0 HB3 GLN A 17 32.880 -8.662 -14.574 1.00 0.00 H new ATOM 0 HG2 GLN A 17 30.749 -10.359 -14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 17 30.062 -9.179 -15.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 30.784 -11.917 -16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.069 -11.795 -17.454 1.00 0.00 H new ATOM 267 N VAL A 18 32.406 -6.273 -12.459 1.00 0.00 N ATOM 268 CA VAL A 18 33.328 -5.336 -11.767 1.00 0.00 C ATOM 269 C VAL A 18 33.112 -5.453 -10.262 1.00 0.00 C ATOM 270 O VAL A 18 33.971 -5.122 -9.483 1.00 0.00 O ATOM 271 CB VAL A 18 33.025 -3.913 -12.214 1.00 0.00 C ATOM 272 CG1 VAL A 18 33.941 -2.933 -11.479 1.00 0.00 C ATOM 273 CG2 VAL A 18 33.252 -3.791 -13.723 1.00 0.00 C ATOM 0 H VAL A 18 31.755 -5.837 -13.112 1.00 0.00 H new ATOM 0 HA VAL A 18 34.362 -5.581 -12.012 1.00 0.00 H new ATOM 0 HB VAL A 18 31.986 -3.677 -11.982 1.00 0.00 H new ATOM 0 HG11 VAL A 18 33.720 -1.916 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 18 33.776 -3.016 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 18 34.981 -3.168 -11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 18 33.035 -2.772 -14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 34.290 -4.031 -13.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 32.593 -4.484 -14.247 1.00 0.00 H new ATOM 283 N LEU A 19 31.969 -5.923 -9.844 1.00 0.00 N ATOM 284 CA LEU A 19 31.728 -6.063 -8.379 1.00 0.00 C ATOM 285 C LEU A 19 32.774 -7.016 -7.795 1.00 0.00 C ATOM 286 O LEU A 19 33.520 -6.666 -6.901 1.00 0.00 O ATOM 287 CB LEU A 19 30.329 -6.635 -8.137 1.00 0.00 C ATOM 288 CG LEU A 19 29.887 -6.319 -6.707 1.00 0.00 C ATOM 289 CD1 LEU A 19 29.997 -4.813 -6.456 1.00 0.00 C ATOM 290 CD2 LEU A 19 28.434 -6.761 -6.514 1.00 0.00 C ATOM 0 H LEU A 19 31.198 -6.214 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 19 31.803 -5.087 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 19 29.623 -6.209 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.333 -7.713 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 19 30.528 -6.851 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 29.682 -4.590 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 31.031 -4.496 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.357 -4.279 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 19 28.118 -6.536 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.795 -6.228 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 28.353 -7.834 -6.691 1.00 0.00 H new ATOM 302 N ALA A 20 32.839 -8.217 -8.302 1.00 0.00 N ATOM 303 CA ALA A 20 33.841 -9.198 -7.789 1.00 0.00 C ATOM 304 C ALA A 20 35.231 -8.566 -7.823 1.00 0.00 C ATOM 305 O ALA A 20 35.958 -8.571 -6.852 1.00 0.00 O ATOM 306 CB ALA A 20 33.840 -10.431 -8.691 1.00 0.00 C ATOM 0 H ALA A 20 32.240 -8.563 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 20 33.586 -9.480 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.570 -11.152 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.848 -10.884 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 20 34.101 -10.138 -9.708 1.00 0.00 H new ATOM 312 N ALA A 21 35.596 -8.025 -8.948 1.00 0.00 N ATOM 313 CA ALA A 21 36.933 -7.380 -9.089 1.00 0.00 C ATOM 314 C ALA A 21 37.167 -6.426 -7.918 1.00 0.00 C ATOM 315 O ALA A 21 38.146 -6.519 -7.205 1.00 0.00 O ATOM 316 CB ALA A 21 36.954 -6.588 -10.400 1.00 0.00 C ATOM 0 H ALA A 21 35.019 -8.001 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 21 37.715 -8.139 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 21 37.926 -6.109 -10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 21 36.777 -7.264 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 36.174 -5.827 -10.378 1.00 0.00 H new ATOM 322 N VAL A 22 36.268 -5.510 -7.729 1.00 0.00 N ATOM 323 CA VAL A 22 36.402 -4.526 -6.618 1.00 0.00 C ATOM 324 C VAL A 22 36.682 -5.265 -5.313 1.00 0.00 C ATOM 325 O VAL A 22 37.400 -4.785 -4.461 1.00 0.00 O ATOM 326 CB VAL A 22 35.103 -3.729 -6.484 1.00 0.00 C ATOM 327 CG1 VAL A 22 35.134 -2.920 -5.185 1.00 0.00 C ATOM 328 CG2 VAL A 22 34.966 -2.775 -7.673 1.00 0.00 C ATOM 0 H VAL A 22 35.433 -5.396 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 22 37.226 -3.846 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 22 34.256 -4.414 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 22 34.209 -2.352 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 22 35.234 -3.597 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 22 35.981 -2.234 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 22 34.041 -2.207 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 22 35.813 -2.089 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 22 34.946 -3.349 -8.600 1.00 0.00 H new ATOM 338 N ILE A 23 36.121 -6.429 -5.149 1.00 0.00 N ATOM 339 CA ILE A 23 36.361 -7.199 -3.899 1.00 0.00 C ATOM 340 C ILE A 23 37.799 -7.722 -3.911 1.00 0.00 C ATOM 341 O ILE A 23 38.468 -7.745 -2.899 1.00 0.00 O ATOM 342 CB ILE A 23 35.360 -8.363 -3.823 1.00 0.00 C ATOM 343 CG1 ILE A 23 34.050 -7.857 -3.210 1.00 0.00 C ATOM 344 CG2 ILE A 23 35.922 -9.493 -2.953 1.00 0.00 C ATOM 345 CD1 ILE A 23 32.872 -8.266 -4.097 1.00 0.00 C ATOM 0 H ILE A 23 35.507 -6.880 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 23 36.222 -6.563 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 23 35.182 -8.746 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.923 -8.268 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.081 -6.772 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.202 -10.310 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.855 -9.855 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 23 36.109 -9.119 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.943 -7.904 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.996 -7.833 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.837 -9.352 -4.177 1.00 0.00 H new ATOM 357 N PHE A 24 38.283 -8.128 -5.051 1.00 0.00 N ATOM 358 CA PHE A 24 39.681 -8.628 -5.124 1.00 0.00 C ATOM 359 C PHE A 24 40.611 -7.532 -4.612 1.00 0.00 C ATOM 360 O PHE A 24 41.544 -7.787 -3.878 1.00 0.00 O ATOM 361 CB PHE A 24 40.020 -8.965 -6.579 1.00 0.00 C ATOM 362 CG PHE A 24 40.898 -10.190 -6.623 1.00 0.00 C ATOM 363 CD1 PHE A 24 40.417 -11.413 -6.142 1.00 0.00 C ATOM 364 CD2 PHE A 24 42.193 -10.104 -7.146 1.00 0.00 C ATOM 365 CE1 PHE A 24 41.231 -12.550 -6.183 1.00 0.00 C ATOM 366 CE2 PHE A 24 43.008 -11.240 -7.187 1.00 0.00 C ATOM 367 CZ PHE A 24 42.528 -12.464 -6.706 1.00 0.00 C ATOM 0 H PHE A 24 37.771 -8.135 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 24 39.799 -9.525 -4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 24 39.105 -9.140 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.529 -8.123 -7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.417 -11.479 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.563 -9.160 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 24 40.860 -13.494 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 24 44.008 -11.173 -7.590 1.00 0.00 H new ATOM 0 HZ PHE A 24 43.157 -13.341 -6.738 1.00 0.00 H new ATOM 377 N ILE A 25 40.348 -6.306 -4.975 1.00 0.00 N ATOM 378 CA ILE A 25 41.199 -5.188 -4.486 1.00 0.00 C ATOM 379 C ILE A 25 40.865 -4.948 -3.015 1.00 0.00 C ATOM 380 O ILE A 25 41.715 -4.599 -2.220 1.00 0.00 O ATOM 381 CB ILE A 25 40.905 -3.923 -5.295 1.00 0.00 C ATOM 382 CG1 ILE A 25 40.991 -4.244 -6.789 1.00 0.00 C ATOM 383 CG2 ILE A 25 41.932 -2.844 -4.948 1.00 0.00 C ATOM 384 CD1 ILE A 25 40.695 -2.982 -7.600 1.00 0.00 C ATOM 0 H ILE A 25 39.581 -6.032 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 25 42.254 -5.437 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 25 39.905 -3.563 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 25 41.984 -4.622 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.279 -5.029 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 25 41.722 -1.943 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 25 41.874 -2.615 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.933 -3.203 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 25 40.756 -3.211 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.693 -2.624 -7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 25 41.424 -2.211 -7.352 1.00 0.00 H new ATOM 396 N TYR A 26 39.630 -5.162 -2.644 1.00 0.00 N ATOM 397 CA TYR A 26 39.235 -4.981 -1.223 1.00 0.00 C ATOM 398 C TYR A 26 40.003 -6.009 -0.395 1.00 0.00 C ATOM 399 O TYR A 26 40.215 -5.851 0.791 1.00 0.00 O ATOM 400 CB TYR A 26 37.729 -5.218 -1.089 1.00 0.00 C ATOM 401 CG TYR A 26 37.317 -5.132 0.360 1.00 0.00 C ATOM 402 CD1 TYR A 26 37.471 -6.241 1.200 1.00 0.00 C ATOM 403 CD2 TYR A 26 36.768 -3.945 0.860 1.00 0.00 C ATOM 404 CE1 TYR A 26 37.076 -6.163 2.541 1.00 0.00 C ATOM 405 CE2 TYR A 26 36.375 -3.866 2.200 1.00 0.00 C ATOM 406 CZ TYR A 26 36.528 -4.975 3.041 1.00 0.00 C ATOM 407 OH TYR A 26 36.135 -4.899 4.362 1.00 0.00 O ATOM 0 H TYR A 26 38.878 -5.455 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 26 39.463 -3.973 -0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 26 37.183 -4.478 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 26 37.470 -6.197 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 26 37.894 -7.156 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 26 36.648 -3.090 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.194 -7.019 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 26 35.954 -2.950 2.586 1.00 0.00 H new ATOM 0 HH TYR A 26 35.777 -4.005 4.546 1.00 0.00 H new ATOM 417 N PHE A 27 40.434 -7.057 -1.040 1.00 0.00 N ATOM 418 CA PHE A 27 41.209 -8.117 -0.354 1.00 0.00 C ATOM 419 C PHE A 27 42.693 -7.767 -0.444 1.00 0.00 C ATOM 420 O PHE A 27 43.484 -8.092 0.419 1.00 0.00 O ATOM 421 CB PHE A 27 40.964 -9.440 -1.082 1.00 0.00 C ATOM 422 CG PHE A 27 40.723 -10.544 -0.078 1.00 0.00 C ATOM 423 CD1 PHE A 27 39.481 -10.655 0.558 1.00 0.00 C ATOM 424 CD2 PHE A 27 41.742 -11.459 0.215 1.00 0.00 C ATOM 425 CE1 PHE A 27 39.257 -11.680 1.486 1.00 0.00 C ATOM 426 CE2 PHE A 27 41.519 -12.484 1.142 1.00 0.00 C ATOM 427 CZ PHE A 27 40.276 -12.595 1.778 1.00 0.00 C ATOM 0 H PHE A 27 40.276 -7.223 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 27 40.907 -8.201 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.104 -9.346 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.823 -9.686 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 27 38.695 -9.950 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 27 42.701 -11.374 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 27 38.298 -11.765 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 27 42.305 -13.189 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 27 40.104 -13.386 2.493 1.00 0.00 H new ATOM 437 N ALA A 28 43.066 -7.122 -1.512 1.00 0.00 N ATOM 438 CA ALA A 28 44.492 -6.750 -1.725 1.00 0.00 C ATOM 439 C ALA A 28 44.831 -5.418 -1.038 1.00 0.00 C ATOM 440 O ALA A 28 45.553 -5.379 -0.061 1.00 0.00 O ATOM 441 CB ALA A 28 44.739 -6.611 -3.230 1.00 0.00 C ATOM 0 H ALA A 28 42.434 -6.832 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 28 45.124 -7.527 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.780 -6.338 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.525 -7.559 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.088 -5.836 -3.635 1.00 0.00 H new ATOM 447 N ALA A 29 44.350 -4.325 -1.567 1.00 0.00 N ATOM 448 CA ALA A 29 44.677 -2.987 -0.981 1.00 0.00 C ATOM 449 C ALA A 29 43.838 -2.692 0.263 1.00 0.00 C ATOM 450 O ALA A 29 44.354 -2.311 1.295 1.00 0.00 O ATOM 451 CB ALA A 29 44.383 -1.911 -2.021 1.00 0.00 C ATOM 0 H ALA A 29 43.741 -4.299 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 29 45.729 -2.992 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 29 44.617 -0.931 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 29 44.993 -2.085 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.328 -1.947 -2.294 1.00 0.00 H new ATOM 457 N LEU A 30 42.550 -2.829 0.161 1.00 0.00 N ATOM 458 CA LEU A 30 41.657 -2.521 1.321 1.00 0.00 C ATOM 459 C LEU A 30 41.668 -3.662 2.347 1.00 0.00 C ATOM 460 O LEU A 30 40.732 -3.831 3.102 1.00 0.00 O ATOM 461 CB LEU A 30 40.228 -2.314 0.809 1.00 0.00 C ATOM 462 CG LEU A 30 39.730 -0.928 1.224 1.00 0.00 C ATOM 463 CD1 LEU A 30 39.500 -0.072 -0.023 1.00 0.00 C ATOM 464 CD2 LEU A 30 38.415 -1.071 1.994 1.00 0.00 C ATOM 0 H LEU A 30 42.068 -3.143 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 30 42.022 -1.618 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 30 40.202 -2.411 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 30 39.571 -3.084 1.213 1.00 0.00 H new ATOM 0 HG LEU A 30 40.475 -0.449 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 39.145 0.915 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 40.436 0.029 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 30 38.755 -0.549 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 38.058 -0.085 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 30 37.671 -1.550 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 30 38.578 -1.680 2.883 1.00 0.00 H new ATOM 476 N SER A 31 42.710 -4.443 2.386 1.00 0.00 N ATOM 477 CA SER A 31 42.765 -5.566 3.365 1.00 0.00 C ATOM 478 C SER A 31 42.815 -5.024 4.803 1.00 0.00 C ATOM 479 O SER A 31 42.075 -5.467 5.657 1.00 0.00 O ATOM 480 CB SER A 31 44.010 -6.415 3.089 1.00 0.00 C ATOM 481 OG SER A 31 44.949 -6.245 4.143 1.00 0.00 O ATOM 0 H SER A 31 43.527 -4.353 1.782 1.00 0.00 H new ATOM 0 HA SER A 31 41.869 -6.177 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 31 43.733 -7.466 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 31 44.458 -6.123 2.139 1.00 0.00 H new ATOM 0 HG SER A 31 45.743 -6.790 3.965 1.00 0.00 H new ATOM 487 N PRO A 32 43.708 -4.099 5.023 1.00 0.00 N ATOM 488 CA PRO A 32 43.987 -3.418 6.333 1.00 0.00 C ATOM 489 C PRO A 32 43.145 -2.145 6.497 1.00 0.00 C ATOM 490 O PRO A 32 42.941 -1.667 7.596 1.00 0.00 O ATOM 491 CB PRO A 32 45.467 -3.061 6.276 1.00 0.00 C ATOM 492 CG PRO A 32 45.834 -2.971 4.804 1.00 0.00 C ATOM 493 CD PRO A 32 44.648 -3.526 4.009 1.00 0.00 C ATOM 0 HA PRO A 32 43.737 -4.060 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 32 45.657 -2.114 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 32 46.068 -3.818 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 32 46.038 -1.939 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 32 46.738 -3.543 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 32 44.165 -2.740 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 32 44.974 -4.290 3.303 1.00 0.00 H new ATOM 501 N ALA A 33 42.668 -1.582 5.422 1.00 0.00 N ATOM 502 CA ALA A 33 41.858 -0.332 5.531 1.00 0.00 C ATOM 503 C ALA A 33 40.589 -0.592 6.351 1.00 0.00 C ATOM 504 O ALA A 33 40.055 0.298 6.983 1.00 0.00 O ATOM 505 CB ALA A 33 41.472 0.145 4.129 1.00 0.00 C ATOM 0 H ALA A 33 42.803 -1.931 4.473 1.00 0.00 H new ATOM 0 HA ALA A 33 42.450 0.434 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 33 40.881 1.057 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 33 42.374 0.345 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 33 40.886 -0.627 3.631 1.00 0.00 H new