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 -36:sc= -0.316! USER MOD Single : A 17 GLN : amide:sc= -0.221 K(o=-0.22,f=-3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -52:sc= 0.287! USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 24.828 4.123 2.778 1.00 0.00 N ATOM 226 CA SER A 15 25.046 2.901 3.612 1.00 0.00 C ATOM 227 C SER A 15 26.436 2.316 3.343 1.00 0.00 C ATOM 228 O SER A 15 26.560 1.207 2.864 1.00 0.00 O ATOM 229 CB SER A 15 23.979 1.871 3.257 1.00 0.00 C ATOM 230 OG SER A 15 24.426 0.576 3.637 1.00 0.00 O ATOM 0 HA SER A 15 24.978 3.163 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 15 23.045 2.109 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 15 23.775 1.897 2.187 1.00 0.00 H new ATOM 0 HG SER A 15 25.393 0.508 3.491 1.00 0.00 H new ATOM 236 N PRO A 16 27.439 3.089 3.660 1.00 0.00 N ATOM 237 CA PRO A 16 28.891 2.759 3.495 1.00 0.00 C ATOM 238 C PRO A 16 29.398 1.993 4.718 1.00 0.00 C ATOM 239 O PRO A 16 30.032 0.966 4.598 1.00 0.00 O ATOM 240 CB PRO A 16 29.599 4.099 3.368 1.00 0.00 C ATOM 241 CG PRO A 16 28.708 5.122 4.041 1.00 0.00 C ATOM 242 CD PRO A 16 27.343 4.465 4.256 1.00 0.00 C ATOM 0 HA PRO A 16 29.072 2.127 2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 16 30.579 4.066 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 16 29.761 4.355 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 16 29.136 5.438 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 16 28.612 6.014 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 16 27.099 4.413 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 16 26.553 5.043 3.776 1.00 0.00 H new ATOM 250 N GLN A 17 29.116 2.480 5.896 1.00 0.00 N ATOM 251 CA GLN A 17 29.577 1.766 7.120 1.00 0.00 C ATOM 252 C GLN A 17 28.975 0.361 7.126 1.00 0.00 C ATOM 253 O GLN A 17 29.639 -0.614 7.413 1.00 0.00 O ATOM 254 CB GLN A 17 29.114 2.530 8.363 1.00 0.00 C ATOM 255 CG GLN A 17 30.197 3.528 8.779 1.00 0.00 C ATOM 256 CD GLN A 17 30.133 3.752 10.291 1.00 0.00 C ATOM 257 OE1 GLN A 17 29.386 3.089 10.984 1.00 0.00 O ATOM 258 NE2 GLN A 17 30.890 4.664 10.837 1.00 0.00 N ATOM 0 H GLN A 17 28.589 3.337 6.063 1.00 0.00 H new ATOM 0 HA GLN A 17 30.665 1.702 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 17 28.181 3.054 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 17 28.913 1.834 9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 17 31.180 3.151 8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 17 30.056 4.473 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 17 31.517 5.221 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 17 30.855 4.820 11.844 1.00 0.00 H new ATOM 267 N VAL A 18 27.719 0.257 6.796 1.00 0.00 N ATOM 268 CA VAL A 18 27.055 -1.076 6.762 1.00 0.00 C ATOM 269 C VAL A 18 27.581 -1.864 5.563 1.00 0.00 C ATOM 270 O VAL A 18 27.975 -3.001 5.695 1.00 0.00 O ATOM 271 CB VAL A 18 25.545 -0.876 6.637 1.00 0.00 C ATOM 272 CG1 VAL A 18 24.856 -2.223 6.401 1.00 0.00 C ATOM 273 CG2 VAL A 18 25.008 -0.254 7.928 1.00 0.00 C ATOM 0 H VAL A 18 27.119 1.043 6.547 1.00 0.00 H new ATOM 0 HA VAL A 18 27.270 -1.629 7.676 1.00 0.00 H new ATOM 0 HB VAL A 18 25.340 -0.216 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.780 -2.071 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 18 25.236 -2.670 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 18 25.061 -2.888 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 18 23.931 -0.110 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 18 25.220 -0.917 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 18 25.490 0.709 8.096 1.00 0.00 H new ATOM 283 N LEU A 19 27.604 -1.272 4.397 1.00 0.00 N ATOM 284 CA LEU A 19 28.126 -2.008 3.209 1.00 0.00 C ATOM 285 C LEU A 19 29.419 -2.715 3.611 1.00 0.00 C ATOM 286 O LEU A 19 29.642 -3.863 3.283 1.00 0.00 O ATOM 287 CB LEU A 19 28.410 -1.025 2.072 1.00 0.00 C ATOM 288 CG LEU A 19 27.516 -1.354 0.875 1.00 0.00 C ATOM 289 CD1 LEU A 19 27.902 -2.722 0.307 1.00 0.00 C ATOM 290 CD2 LEU A 19 26.054 -1.383 1.326 1.00 0.00 C ATOM 0 H LEU A 19 27.287 -0.319 4.217 1.00 0.00 H new ATOM 0 HA LEU A 19 27.389 -2.735 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.227 -0.004 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.459 -1.082 1.782 1.00 0.00 H new ATOM 0 HG LEU A 19 27.646 -0.593 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 27.264 -2.955 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.944 -2.702 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.773 -3.484 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.415 -1.617 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 19 25.926 -2.144 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 19 25.778 -0.409 1.729 1.00 0.00 H new ATOM 302 N ALA A 20 30.260 -2.042 4.344 1.00 0.00 N ATOM 303 CA ALA A 20 31.527 -2.675 4.798 1.00 0.00 C ATOM 304 C ALA A 20 31.179 -3.939 5.571 1.00 0.00 C ATOM 305 O ALA A 20 31.723 -4.995 5.344 1.00 0.00 O ATOM 306 CB ALA A 20 32.263 -1.713 5.727 1.00 0.00 C ATOM 0 H ALA A 20 30.124 -1.078 4.649 1.00 0.00 H new ATOM 0 HA ALA A 20 32.158 -2.913 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.193 -2.172 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.486 -0.790 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.636 -1.489 6.590 1.00 0.00 H new ATOM 312 N ALA A 21 30.264 -3.816 6.487 1.00 0.00 N ATOM 313 CA ALA A 21 29.829 -4.980 7.312 1.00 0.00 C ATOM 314 C ALA A 21 29.429 -6.144 6.402 1.00 0.00 C ATOM 315 O ALA A 21 29.955 -7.241 6.496 1.00 0.00 O ATOM 316 CB ALA A 21 28.620 -4.545 8.146 1.00 0.00 C ATOM 0 H ALA A 21 29.788 -2.941 6.705 1.00 0.00 H new ATOM 0 HA ALA A 21 30.643 -5.306 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 21 28.282 -5.380 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 28.903 -3.713 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 21 27.814 -4.232 7.482 1.00 0.00 H new ATOM 322 N VAL A 22 28.500 -5.911 5.525 1.00 0.00 N ATOM 323 CA VAL A 22 28.052 -6.987 4.601 1.00 0.00 C ATOM 324 C VAL A 22 29.265 -7.554 3.864 1.00 0.00 C ATOM 325 O VAL A 22 29.264 -8.684 3.418 1.00 0.00 O ATOM 326 CB VAL A 22 27.065 -6.405 3.587 1.00 0.00 C ATOM 327 CG1 VAL A 22 26.525 -7.526 2.697 1.00 0.00 C ATOM 328 CG2 VAL A 22 25.903 -5.744 4.331 1.00 0.00 C ATOM 0 H VAL A 22 28.027 -5.015 5.406 1.00 0.00 H new ATOM 0 HA VAL A 22 27.565 -7.780 5.168 1.00 0.00 H new ATOM 0 HB VAL A 22 27.573 -5.664 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 22 25.822 -7.111 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 22 27.351 -8.000 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 26.016 -8.267 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 22 25.199 -5.329 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 22 25.396 -6.487 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 26.285 -4.945 4.966 1.00 0.00 H new ATOM 338 N ILE A 23 30.300 -6.771 3.733 1.00 0.00 N ATOM 339 CA ILE A 23 31.520 -7.251 3.027 1.00 0.00 C ATOM 340 C ILE A 23 32.370 -8.072 3.999 1.00 0.00 C ATOM 341 O ILE A 23 33.045 -8.997 3.610 1.00 0.00 O ATOM 342 CB ILE A 23 32.313 -6.037 2.515 1.00 0.00 C ATOM 343 CG1 ILE A 23 31.829 -5.666 1.110 1.00 0.00 C ATOM 344 CG2 ILE A 23 33.811 -6.361 2.448 1.00 0.00 C ATOM 345 CD1 ILE A 23 30.408 -5.100 1.176 1.00 0.00 C ATOM 0 H ILE A 23 30.353 -5.816 4.086 1.00 0.00 H new ATOM 0 HA ILE A 23 31.245 -7.879 2.180 1.00 0.00 H new ATOM 0 HB ILE A 23 32.154 -5.206 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.501 -4.931 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.849 -6.545 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 23 34.356 -5.490 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.171 -6.624 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.972 -7.199 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.073 -4.839 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.738 -5.848 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 23 30.400 -4.209 1.804 1.00 0.00 H new ATOM 357 N PHE A 24 32.337 -7.739 5.257 1.00 0.00 N ATOM 358 CA PHE A 24 33.136 -8.505 6.252 1.00 0.00 C ATOM 359 C PHE A 24 32.813 -9.988 6.088 1.00 0.00 C ATOM 360 O PHE A 24 33.695 -10.811 5.937 1.00 0.00 O ATOM 361 CB PHE A 24 32.771 -8.035 7.664 1.00 0.00 C ATOM 362 CG PHE A 24 33.977 -8.156 8.566 1.00 0.00 C ATOM 363 CD1 PHE A 24 34.458 -9.420 8.929 1.00 0.00 C ATOM 364 CD2 PHE A 24 34.614 -7.003 9.040 1.00 0.00 C ATOM 365 CE1 PHE A 24 35.576 -9.530 9.765 1.00 0.00 C ATOM 366 CE2 PHE A 24 35.731 -7.113 9.876 1.00 0.00 C ATOM 367 CZ PHE A 24 36.213 -8.376 10.239 1.00 0.00 C ATOM 0 H PHE A 24 31.790 -6.968 5.641 1.00 0.00 H new ATOM 0 HA PHE A 24 34.202 -8.343 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 24 32.427 -7.001 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.949 -8.634 8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 24 33.967 -10.310 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 24 34.243 -6.028 8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 24 35.947 -10.505 10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 24 36.221 -6.223 10.241 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.075 -8.461 10.884 1.00 0.00 H new ATOM 377 N ILE A 25 31.555 -10.336 6.081 1.00 0.00 N ATOM 378 CA ILE A 25 31.190 -11.768 5.883 1.00 0.00 C ATOM 379 C ILE A 25 31.562 -12.143 4.450 1.00 0.00 C ATOM 380 O ILE A 25 32.000 -13.242 4.175 1.00 0.00 O ATOM 381 CB ILE A 25 29.688 -11.956 6.095 1.00 0.00 C ATOM 382 CG1 ILE A 25 29.294 -11.388 7.460 1.00 0.00 C ATOM 383 CG2 ILE A 25 29.347 -13.446 6.046 1.00 0.00 C ATOM 384 CD1 ILE A 25 27.804 -11.045 7.461 1.00 0.00 C ATOM 0 H ILE A 25 30.770 -9.697 6.203 1.00 0.00 H new ATOM 0 HA ILE A 25 31.718 -12.401 6.596 1.00 0.00 H new ATOM 0 HB ILE A 25 29.141 -11.434 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 25 29.511 -12.114 8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 29.883 -10.497 7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 25 28.276 -13.579 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 25 29.630 -13.852 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 25 29.892 -13.970 6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 25 27.524 -10.641 8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 25 27.601 -10.304 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 25 27.223 -11.946 7.262 1.00 0.00 H new ATOM 396 N TYR A 26 31.419 -11.218 3.538 1.00 0.00 N ATOM 397 CA TYR A 26 31.797 -11.501 2.129 1.00 0.00 C ATOM 398 C TYR A 26 33.294 -11.810 2.099 1.00 0.00 C ATOM 399 O TYR A 26 33.801 -12.422 1.181 1.00 0.00 O ATOM 400 CB TYR A 26 31.508 -10.270 1.268 1.00 0.00 C ATOM 401 CG TYR A 26 31.318 -10.683 -0.171 1.00 0.00 C ATOM 402 CD1 TYR A 26 30.470 -11.749 -0.489 1.00 0.00 C ATOM 403 CD2 TYR A 26 31.989 -9.994 -1.188 1.00 0.00 C ATOM 404 CE1 TYR A 26 30.293 -12.127 -1.825 1.00 0.00 C ATOM 405 CE2 TYR A 26 31.813 -10.372 -2.523 1.00 0.00 C ATOM 406 CZ TYR A 26 30.964 -11.439 -2.842 1.00 0.00 C ATOM 407 OH TYR A 26 30.788 -11.812 -4.159 1.00 0.00 O ATOM 0 H TYR A 26 31.057 -10.280 3.711 1.00 0.00 H new ATOM 0 HA TYR A 26 31.227 -12.345 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 26 30.614 -9.763 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 26 32.331 -9.560 1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 29.952 -12.280 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 26 32.643 -9.170 -0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 26 29.638 -12.950 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 26 32.332 -9.841 -3.308 1.00 0.00 H new ATOM 0 HH TYR A 26 31.325 -11.231 -4.738 1.00 0.00 H new ATOM 417 N PHE A 27 33.995 -11.402 3.123 1.00 0.00 N ATOM 418 CA PHE A 27 35.452 -11.670 3.202 1.00 0.00 C ATOM 419 C PHE A 27 35.634 -13.055 3.810 1.00 0.00 C ATOM 420 O PHE A 27 36.462 -13.837 3.385 1.00 0.00 O ATOM 421 CB PHE A 27 36.113 -10.617 4.098 1.00 0.00 C ATOM 422 CG PHE A 27 37.476 -10.273 3.544 1.00 0.00 C ATOM 423 CD1 PHE A 27 37.591 -9.379 2.472 1.00 0.00 C ATOM 424 CD2 PHE A 27 38.626 -10.853 4.096 1.00 0.00 C ATOM 425 CE1 PHE A 27 38.853 -9.064 1.954 1.00 0.00 C ATOM 426 CE2 PHE A 27 39.888 -10.539 3.576 1.00 0.00 C ATOM 427 CZ PHE A 27 40.001 -9.644 2.506 1.00 0.00 C ATOM 0 H PHE A 27 33.611 -10.888 3.916 1.00 0.00 H new ATOM 0 HA PHE A 27 35.910 -11.626 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 27 35.492 -9.723 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 27 36.207 -10.996 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 27 36.705 -8.932 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 27 38.539 -11.542 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 27 38.941 -8.373 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 27 40.774 -10.988 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 27 40.974 -9.401 2.106 1.00 0.00 H new ATOM 437 N ALA A 28 34.836 -13.366 4.790 1.00 0.00 N ATOM 438 CA ALA A 28 34.914 -14.704 5.428 1.00 0.00 C ATOM 439 C ALA A 28 34.968 -15.759 4.324 1.00 0.00 C ATOM 440 O ALA A 28 35.845 -16.594 4.283 1.00 0.00 O ATOM 441 CB ALA A 28 33.659 -14.915 6.276 1.00 0.00 C ATOM 0 H ALA A 28 34.127 -12.744 5.179 1.00 0.00 H new ATOM 0 HA ALA A 28 35.799 -14.781 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 33.702 -15.895 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.603 -14.142 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.776 -14.859 5.639 1.00 0.00 H new ATOM 447 N ALA A 29 34.028 -15.706 3.426 1.00 0.00 N ATOM 448 CA ALA A 29 33.991 -16.681 2.295 1.00 0.00 C ATOM 449 C ALA A 29 35.174 -16.428 1.365 1.00 0.00 C ATOM 450 O ALA A 29 35.819 -17.338 0.882 1.00 0.00 O ATOM 451 CB ALA A 29 32.709 -16.458 1.504 1.00 0.00 C ATOM 0 H ALA A 29 33.272 -15.021 3.424 1.00 0.00 H new ATOM 0 HA ALA A 29 34.035 -17.697 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 29 32.667 -17.163 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 29 31.848 -16.612 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 29 32.693 -15.439 1.116 1.00 0.00 H new ATOM 457 N LEU A 30 35.439 -15.184 1.103 1.00 0.00 N ATOM 458 CA LEU A 30 36.559 -14.801 0.187 1.00 0.00 C ATOM 459 C LEU A 30 37.935 -15.078 0.825 1.00 0.00 C ATOM 460 O LEU A 30 38.943 -14.585 0.361 1.00 0.00 O ATOM 461 CB LEU A 30 36.444 -13.306 -0.121 1.00 0.00 C ATOM 462 CG LEU A 30 35.194 -13.049 -0.963 1.00 0.00 C ATOM 463 CD1 LEU A 30 34.889 -11.550 -0.973 1.00 0.00 C ATOM 464 CD2 LEU A 30 35.434 -13.530 -2.397 1.00 0.00 C ATOM 0 H LEU A 30 34.920 -14.396 1.490 1.00 0.00 H new ATOM 0 HA LEU A 30 36.483 -15.398 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 30 36.393 -12.736 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 30 37.331 -12.966 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 30 34.350 -13.591 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 30 33.998 -11.364 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 30 34.718 -11.207 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 30 35.734 -11.010 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 34.542 -13.346 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 30 36.277 -12.989 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 30 35.653 -14.598 -2.391 1.00 0.00 H new ATOM 476 N SER A 31 37.990 -15.853 1.875 1.00 0.00 N ATOM 477 CA SER A 31 39.300 -16.152 2.531 1.00 0.00 C ATOM 478 C SER A 31 40.409 -16.351 1.489 1.00 0.00 C ATOM 479 O SER A 31 41.485 -15.805 1.618 1.00 0.00 O ATOM 480 CB SER A 31 39.168 -17.430 3.360 1.00 0.00 C ATOM 481 OG SER A 31 37.803 -17.638 3.690 1.00 0.00 O ATOM 0 H SER A 31 37.180 -16.295 2.310 1.00 0.00 H new ATOM 0 HA SER A 31 39.565 -15.307 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 31 39.552 -18.282 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 31 39.765 -17.351 4.268 1.00 0.00 H new ATOM 0 HG SER A 31 37.439 -16.827 4.104 1.00 0.00 H new ATOM 487 N PRO A 32 40.116 -17.153 0.505 1.00 0.00 N ATOM 488 CA PRO A 32 41.023 -17.543 -0.627 1.00 0.00 C ATOM 489 C PRO A 32 40.941 -16.537 -1.783 1.00 0.00 C ATOM 490 O PRO A 32 41.855 -16.417 -2.574 1.00 0.00 O ATOM 491 CB PRO A 32 40.533 -18.915 -1.069 1.00 0.00 C ATOM 492 CG PRO A 32 39.081 -19.020 -0.638 1.00 0.00 C ATOM 493 CD PRO A 32 38.804 -17.848 0.304 1.00 0.00 C ATOM 0 HA PRO A 32 42.068 -17.558 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 32 40.625 -19.029 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.130 -19.705 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 32 38.419 -18.983 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 32 38.896 -19.970 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.066 -17.170 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.400 -18.199 1.254 1.00 0.00 H new ATOM 501 N ALA A 33 39.862 -15.815 -1.888 1.00 0.00 N ATOM 502 CA ALA A 33 39.732 -14.820 -2.995 1.00 0.00 C ATOM 503 C ALA A 33 40.723 -13.675 -2.784 1.00 0.00 C ATOM 504 O ALA A 33 40.948 -12.869 -3.663 1.00 0.00 O ATOM 505 CB ALA A 33 38.323 -14.251 -2.988 1.00 0.00 C ATOM 0 H ALA A 33 39.063 -15.868 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 33 39.939 -15.312 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.220 -13.524 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.604 -15.057 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.132 -13.763 -2.032 1.00 0.00 H new