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= 0 USER MOD Single : A 17 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -112:sc= -1.23! USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 24.229 9.101 0.519 1.00 0.00 N ATOM 226 CA SER A 15 25.186 9.078 -0.619 1.00 0.00 C ATOM 227 C SER A 15 24.929 7.849 -1.494 1.00 0.00 C ATOM 228 O SER A 15 25.586 6.837 -1.350 1.00 0.00 O ATOM 229 CB SER A 15 26.617 9.032 -0.083 1.00 0.00 C ATOM 230 OG SER A 15 27.318 10.190 -0.517 1.00 0.00 O ATOM 0 HA SER A 15 25.049 9.978 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 15 26.608 8.985 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 27.122 8.133 -0.437 1.00 0.00 H new ATOM 0 HG SER A 15 28.236 10.165 -0.174 1.00 0.00 H new ATOM 236 N PRO A 16 23.982 7.985 -2.382 1.00 0.00 N ATOM 237 CA PRO A 16 23.541 6.947 -3.364 1.00 0.00 C ATOM 238 C PRO A 16 24.390 7.047 -4.630 1.00 0.00 C ATOM 239 O PRO A 16 25.097 6.128 -4.992 1.00 0.00 O ATOM 240 CB PRO A 16 22.087 7.272 -3.672 1.00 0.00 C ATOM 241 CG PRO A 16 21.906 8.749 -3.382 1.00 0.00 C ATOM 242 CD PRO A 16 23.140 9.211 -2.602 1.00 0.00 C ATOM 0 HA PRO A 16 23.650 5.935 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 16 21.852 7.049 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 16 21.416 6.671 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 16 21.803 9.313 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.999 8.919 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.692 9.967 -3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 16 22.853 9.662 -1.652 1.00 0.00 H new ATOM 250 N GLN A 17 24.336 8.164 -5.302 1.00 0.00 N ATOM 251 CA GLN A 17 25.151 8.325 -6.537 1.00 0.00 C ATOM 252 C GLN A 17 26.611 8.024 -6.204 1.00 0.00 C ATOM 253 O GLN A 17 27.250 7.202 -6.831 1.00 0.00 O ATOM 254 CB GLN A 17 25.028 9.761 -7.052 1.00 0.00 C ATOM 255 CG GLN A 17 25.010 9.755 -8.583 1.00 0.00 C ATOM 256 CD GLN A 17 25.526 11.096 -9.109 1.00 0.00 C ATOM 257 OE1 GLN A 17 24.917 11.698 -9.971 1.00 0.00 O ATOM 258 NE2 GLN A 17 26.633 11.592 -8.627 1.00 0.00 N ATOM 0 H GLN A 17 23.764 8.970 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 17 24.796 7.640 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.116 10.219 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.863 10.361 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 17 25.630 8.942 -8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 17 23.997 9.577 -8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 17 27.145 11.088 -7.903 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.986 12.484 -8.974 1.00 0.00 H new ATOM 267 N VAL A 18 27.136 8.679 -5.209 1.00 0.00 N ATOM 268 CA VAL A 18 28.550 8.436 -4.811 1.00 0.00 C ATOM 269 C VAL A 18 28.741 6.944 -4.526 1.00 0.00 C ATOM 270 O VAL A 18 29.747 6.373 -4.868 1.00 0.00 O ATOM 271 CB VAL A 18 28.869 9.270 -3.561 1.00 0.00 C ATOM 272 CG1 VAL A 18 29.954 8.593 -2.716 1.00 0.00 C ATOM 273 CG2 VAL A 18 29.360 10.655 -3.989 1.00 0.00 C ATOM 0 H VAL A 18 26.644 9.377 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 18 29.226 8.730 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 18 27.962 9.358 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 18 30.163 9.202 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 29.609 7.608 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 18 30.863 8.487 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 29.587 11.250 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 18 30.259 10.551 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 18 28.584 11.152 -4.571 1.00 0.00 H new ATOM 283 N LEU A 19 27.786 6.305 -3.909 1.00 0.00 N ATOM 284 CA LEU A 19 27.943 4.850 -3.621 1.00 0.00 C ATOM 285 C LEU A 19 28.426 4.141 -4.886 1.00 0.00 C ATOM 286 O LEU A 19 29.375 3.384 -4.866 1.00 0.00 O ATOM 287 CB LEU A 19 26.595 4.268 -3.195 1.00 0.00 C ATOM 288 CG LEU A 19 26.811 2.908 -2.531 1.00 0.00 C ATOM 289 CD1 LEU A 19 27.337 1.912 -3.566 1.00 0.00 C ATOM 290 CD2 LEU A 19 27.829 3.053 -1.398 1.00 0.00 C ATOM 0 H LEU A 19 26.910 6.722 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 19 28.668 4.709 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.097 4.947 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 19 25.943 4.161 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 19 25.866 2.545 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 19 27.491 0.942 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.613 1.810 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.283 2.273 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 19 27.985 2.085 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.774 3.415 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.454 3.763 -0.661 1.00 0.00 H new ATOM 302 N ALA A 20 27.779 4.390 -5.987 1.00 0.00 N ATOM 303 CA ALA A 20 28.195 3.745 -7.263 1.00 0.00 C ATOM 304 C ALA A 20 29.650 4.098 -7.556 1.00 0.00 C ATOM 305 O ALA A 20 30.471 3.246 -7.821 1.00 0.00 O ATOM 306 CB ALA A 20 27.323 4.277 -8.396 1.00 0.00 C ATOM 0 H ALA A 20 26.976 5.015 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 20 28.085 2.664 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.621 3.810 -9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.278 4.045 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 20 27.446 5.357 -8.473 1.00 0.00 H new ATOM 312 N ALA A 21 29.960 5.360 -7.512 1.00 0.00 N ATOM 313 CA ALA A 21 31.351 5.821 -7.787 1.00 0.00 C ATOM 314 C ALA A 21 32.346 4.986 -6.981 1.00 0.00 C ATOM 315 O ALA A 21 33.262 4.392 -7.514 1.00 0.00 O ATOM 316 CB ALA A 21 31.467 7.288 -7.366 1.00 0.00 C ATOM 0 H ALA A 21 29.299 6.106 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 21 31.573 5.710 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 21 32.479 7.643 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 21 30.757 7.887 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 21 31.248 7.380 -6.302 1.00 0.00 H new ATOM 322 N VAL A 22 32.170 4.956 -5.697 1.00 0.00 N ATOM 323 CA VAL A 22 33.090 4.185 -4.816 1.00 0.00 C ATOM 324 C VAL A 22 33.241 2.750 -5.333 1.00 0.00 C ATOM 325 O VAL A 22 34.304 2.167 -5.262 1.00 0.00 O ATOM 326 CB VAL A 22 32.515 4.162 -3.396 1.00 0.00 C ATOM 327 CG1 VAL A 22 33.271 3.134 -2.552 1.00 0.00 C ATOM 328 CG2 VAL A 22 32.668 5.548 -2.766 1.00 0.00 C ATOM 0 H VAL A 22 31.416 5.440 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 22 34.071 4.660 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 22 31.460 3.891 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 22 32.860 3.119 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 22 33.166 2.146 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 22 34.327 3.403 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 22 32.260 5.535 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 22 33.724 5.816 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.129 6.282 -3.366 1.00 0.00 H new ATOM 338 N ILE A 23 32.187 2.171 -5.839 1.00 0.00 N ATOM 339 CA ILE A 23 32.277 0.769 -6.342 1.00 0.00 C ATOM 340 C ILE A 23 32.963 0.740 -7.710 1.00 0.00 C ATOM 341 O ILE A 23 33.565 -0.243 -8.085 1.00 0.00 O ATOM 342 CB ILE A 23 30.872 0.184 -6.467 1.00 0.00 C ATOM 343 CG1 ILE A 23 30.039 0.603 -5.232 1.00 0.00 C ATOM 344 CG2 ILE A 23 30.969 -1.344 -6.589 1.00 0.00 C ATOM 345 CD1 ILE A 23 29.572 -0.617 -4.426 1.00 0.00 C ATOM 0 H ILE A 23 31.269 2.606 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 23 32.863 0.177 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 23 30.376 0.564 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.636 1.255 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.172 1.180 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.968 -1.766 -6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.552 -1.602 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 23 31.456 -1.750 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 23 28.990 -0.284 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.954 -1.255 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 23 30.440 -1.179 -4.081 1.00 0.00 H new ATOM 357 N PHE A 24 32.883 1.804 -8.456 1.00 0.00 N ATOM 358 CA PHE A 24 33.543 1.825 -9.792 1.00 0.00 C ATOM 359 C PHE A 24 35.055 1.757 -9.589 1.00 0.00 C ATOM 360 O PHE A 24 35.771 1.148 -10.360 1.00 0.00 O ATOM 361 CB PHE A 24 33.174 3.122 -10.520 1.00 0.00 C ATOM 362 CG PHE A 24 32.916 2.832 -11.980 1.00 0.00 C ATOM 363 CD1 PHE A 24 31.710 2.241 -12.377 1.00 0.00 C ATOM 364 CD2 PHE A 24 33.884 3.157 -12.938 1.00 0.00 C ATOM 365 CE1 PHE A 24 31.472 1.976 -13.731 1.00 0.00 C ATOM 366 CE2 PHE A 24 33.647 2.892 -14.292 1.00 0.00 C ATOM 367 CZ PHE A 24 32.441 2.301 -14.689 1.00 0.00 C ATOM 0 H PHE A 24 32.390 2.660 -8.200 1.00 0.00 H new ATOM 0 HA PHE A 24 33.213 0.976 -10.390 1.00 0.00 H new ATOM 0 HB2 PHE A 24 32.288 3.566 -10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 24 33.981 3.848 -10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.963 1.990 -11.638 1.00 0.00 H new ATOM 0 HD2 PHE A 24 34.814 3.612 -12.632 1.00 0.00 H new ATOM 0 HE1 PHE A 24 30.541 1.521 -14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 24 34.394 3.143 -15.030 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.258 2.096 -15.733 1.00 0.00 H new ATOM 377 N ILE A 25 35.544 2.364 -8.544 1.00 0.00 N ATOM 378 CA ILE A 25 37.004 2.320 -8.272 1.00 0.00 C ATOM 379 C ILE A 25 37.328 0.994 -7.588 1.00 0.00 C ATOM 380 O ILE A 25 38.391 0.439 -7.769 1.00 0.00 O ATOM 381 CB ILE A 25 37.394 3.486 -7.362 1.00 0.00 C ATOM 382 CG1 ILE A 25 36.605 4.734 -7.766 1.00 0.00 C ATOM 383 CG2 ILE A 25 38.890 3.767 -7.504 1.00 0.00 C ATOM 384 CD1 ILE A 25 36.854 5.038 -9.244 1.00 0.00 C ATOM 0 H ILE A 25 34.992 2.890 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 25 37.563 2.403 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 25 37.168 3.229 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 25 35.541 4.577 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.908 5.583 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.167 4.598 -6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.456 2.880 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.115 4.024 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.292 5.927 -9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.918 5.213 -9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.530 4.192 -9.849 1.00 0.00 H new ATOM 396 N TYR A 26 36.410 0.460 -6.823 1.00 0.00 N ATOM 397 CA TYR A 26 36.676 -0.849 -6.169 1.00 0.00 C ATOM 398 C TYR A 26 36.739 -1.903 -7.272 1.00 0.00 C ATOM 399 O TYR A 26 37.419 -2.903 -7.169 1.00 0.00 O ATOM 400 CB TYR A 26 35.542 -1.186 -5.197 1.00 0.00 C ATOM 401 CG TYR A 26 35.857 -0.621 -3.833 1.00 0.00 C ATOM 402 CD1 TYR A 26 37.073 -0.929 -3.211 1.00 0.00 C ATOM 403 CD2 TYR A 26 34.932 0.208 -3.188 1.00 0.00 C ATOM 404 CE1 TYR A 26 37.363 -0.408 -1.945 1.00 0.00 C ATOM 405 CE2 TYR A 26 35.222 0.730 -1.922 1.00 0.00 C ATOM 406 CZ TYR A 26 36.437 0.422 -1.300 1.00 0.00 C ATOM 407 OH TYR A 26 36.723 0.936 -0.051 1.00 0.00 O ATOM 0 H TYR A 26 35.498 0.872 -6.626 1.00 0.00 H new ATOM 0 HA TYR A 26 37.610 -0.817 -5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 26 34.602 -0.775 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 26 35.414 -2.267 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 26 37.787 -1.569 -3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 26 33.994 0.445 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 26 38.301 -0.646 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 26 34.508 1.370 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 26 35.975 1.492 0.253 1.00 0.00 H new ATOM 417 N PHE A 27 36.040 -1.659 -8.344 1.00 0.00 N ATOM 418 CA PHE A 27 36.047 -2.606 -9.489 1.00 0.00 C ATOM 419 C PHE A 27 37.379 -2.466 -10.217 1.00 0.00 C ATOM 420 O PHE A 27 37.949 -3.421 -10.704 1.00 0.00 O ATOM 421 CB PHE A 27 34.911 -2.232 -10.444 1.00 0.00 C ATOM 422 CG PHE A 27 34.481 -3.455 -11.219 1.00 0.00 C ATOM 423 CD1 PHE A 27 34.057 -4.601 -10.538 1.00 0.00 C ATOM 424 CD2 PHE A 27 34.510 -3.445 -12.620 1.00 0.00 C ATOM 425 CE1 PHE A 27 33.661 -5.737 -11.255 1.00 0.00 C ATOM 426 CE2 PHE A 27 34.115 -4.581 -13.337 1.00 0.00 C ATOM 427 CZ PHE A 27 33.690 -5.727 -12.655 1.00 0.00 C ATOM 0 H PHE A 27 35.457 -0.832 -8.476 1.00 0.00 H new ATOM 0 HA PHE A 27 35.914 -3.630 -9.141 1.00 0.00 H new ATOM 0 HB2 PHE A 27 34.068 -1.829 -9.883 1.00 0.00 H new ATOM 0 HB3 PHE A 27 35.240 -1.451 -11.130 1.00 0.00 H new ATOM 0 HD1 PHE A 27 34.035 -4.610 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 27 34.837 -2.561 -13.147 1.00 0.00 H new ATOM 0 HE1 PHE A 27 33.333 -6.621 -10.728 1.00 0.00 H new ATOM 0 HE2 PHE A 27 34.138 -4.573 -14.417 1.00 0.00 H new ATOM 0 HZ PHE A 27 33.385 -6.603 -13.208 1.00 0.00 H new ATOM 437 N ALA A 28 37.864 -1.263 -10.293 1.00 0.00 N ATOM 438 CA ALA A 28 39.154 -0.998 -10.987 1.00 0.00 C ATOM 439 C ALA A 28 40.314 -1.673 -10.242 1.00 0.00 C ATOM 440 O ALA A 28 41.034 -2.481 -10.795 1.00 0.00 O ATOM 441 CB ALA A 28 39.385 0.515 -11.018 1.00 0.00 C ATOM 0 H ALA A 28 37.415 -0.437 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 28 39.111 -1.401 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.327 0.729 -11.523 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.568 0.997 -11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.425 0.898 -9.998 1.00 0.00 H new ATOM 447 N ALA A 29 40.514 -1.325 -8.999 1.00 0.00 N ATOM 448 CA ALA A 29 41.642 -1.913 -8.216 1.00 0.00 C ATOM 449 C ALA A 29 41.211 -3.199 -7.504 1.00 0.00 C ATOM 450 O ALA A 29 41.840 -4.231 -7.630 1.00 0.00 O ATOM 451 CB ALA A 29 42.090 -0.900 -7.165 1.00 0.00 C ATOM 0 H ALA A 29 39.941 -0.654 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 29 42.454 -2.151 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.914 -1.317 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.420 0.014 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.257 -0.673 -6.500 1.00 0.00 H new ATOM 457 N LEU A 30 40.159 -3.137 -6.736 1.00 0.00 N ATOM 458 CA LEU A 30 39.695 -4.346 -5.985 1.00 0.00 C ATOM 459 C LEU A 30 38.981 -5.340 -6.916 1.00 0.00 C ATOM 460 O LEU A 30 38.277 -6.221 -6.464 1.00 0.00 O ATOM 461 CB LEU A 30 38.730 -3.909 -4.879 1.00 0.00 C ATOM 462 CG LEU A 30 38.598 -5.023 -3.843 1.00 0.00 C ATOM 463 CD1 LEU A 30 39.536 -4.743 -2.667 1.00 0.00 C ATOM 464 CD2 LEU A 30 37.153 -5.077 -3.343 1.00 0.00 C ATOM 0 H LEU A 30 39.596 -2.299 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 30 40.566 -4.842 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 39.094 -2.998 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 30 37.754 -3.678 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 30 38.865 -5.978 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 39.441 -5.539 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 30 40.565 -4.701 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 39.271 -3.790 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 30 37.054 -5.871 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 30 36.889 -4.122 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 30 36.485 -5.276 -4.181 1.00 0.00 H new ATOM 476 N SER A 31 39.148 -5.213 -8.205 1.00 0.00 N ATOM 477 CA SER A 31 38.469 -6.156 -9.143 1.00 0.00 C ATOM 478 C SER A 31 38.859 -7.608 -8.827 1.00 0.00 C ATOM 479 O SER A 31 38.013 -8.478 -8.771 1.00 0.00 O ATOM 480 CB SER A 31 38.862 -5.829 -10.588 1.00 0.00 C ATOM 481 OG SER A 31 39.829 -4.786 -10.599 1.00 0.00 O ATOM 0 H SER A 31 39.724 -4.498 -8.650 1.00 0.00 H new ATOM 0 HA SER A 31 37.392 -6.044 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 31 39.266 -6.717 -11.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 37.981 -5.527 -11.155 1.00 0.00 H new ATOM 0 HG SER A 31 39.433 -3.977 -10.985 1.00 0.00 H new ATOM 487 N PRO A 32 40.133 -7.824 -8.656 1.00 0.00 N ATOM 488 CA PRO A 32 40.780 -9.147 -8.363 1.00 0.00 C ATOM 489 C PRO A 32 40.826 -9.419 -6.857 1.00 0.00 C ATOM 490 O PRO A 32 40.769 -10.553 -6.424 1.00 0.00 O ATOM 491 CB PRO A 32 42.190 -9.030 -8.923 1.00 0.00 C ATOM 492 CG PRO A 32 42.521 -7.549 -8.957 1.00 0.00 C ATOM 493 CD PRO A 32 41.215 -6.790 -8.716 1.00 0.00 C ATOM 0 HA PRO A 32 40.224 -9.972 -8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.901 -9.572 -8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.248 -9.463 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 32 43.257 -7.301 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 32 42.955 -7.273 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 32 41.261 -6.221 -7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 32 41.027 -6.076 -9.518 1.00 0.00 H new ATOM 501 N ALA A 33 40.936 -8.397 -6.055 1.00 0.00 N ATOM 502 CA ALA A 33 40.992 -8.614 -4.582 1.00 0.00 C ATOM 503 C ALA A 33 39.938 -9.645 -4.176 1.00 0.00 C ATOM 504 O ALA A 33 40.132 -10.418 -3.259 1.00 0.00 O ATOM 505 CB ALA A 33 40.719 -7.297 -3.856 1.00 0.00 C ATOM 0 H ALA A 33 40.989 -7.423 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 33 41.983 -8.979 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 33 40.761 -7.460 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 41.471 -6.562 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.730 -6.929 -4.129 1.00 0.00 H new