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= -0.101 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -110:sc= -2.89! USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 28.260 10.735 -5.958 1.00 0.00 N ATOM 226 CA SER A 15 29.731 10.557 -5.829 1.00 0.00 C ATOM 227 C SER A 15 30.093 9.120 -6.206 1.00 0.00 C ATOM 228 O SER A 15 30.324 8.295 -5.347 1.00 0.00 O ATOM 229 CB SER A 15 30.154 10.833 -4.385 1.00 0.00 C ATOM 230 OG SER A 15 31.475 11.358 -4.376 1.00 0.00 O ATOM 0 HA SER A 15 30.247 11.251 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 29.466 11.540 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.111 9.915 -3.799 1.00 0.00 H new ATOM 0 HG SER A 15 31.749 11.538 -3.453 1.00 0.00 H new ATOM 236 N PRO A 16 30.116 8.868 -7.489 1.00 0.00 N ATOM 237 CA PRO A 16 30.425 7.550 -8.130 1.00 0.00 C ATOM 238 C PRO A 16 31.918 7.439 -8.442 1.00 0.00 C ATOM 239 O PRO A 16 32.624 6.635 -7.867 1.00 0.00 O ATOM 240 CB PRO A 16 29.618 7.545 -9.421 1.00 0.00 C ATOM 241 CG PRO A 16 29.383 9.000 -9.788 1.00 0.00 C ATOM 242 CD PRO A 16 29.836 9.843 -8.594 1.00 0.00 C ATOM 0 HA PRO A 16 30.175 6.712 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 16 30.158 7.027 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 16 28.672 7.021 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 16 29.944 9.267 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 16 28.330 9.177 -10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 16 30.726 10.422 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 16 29.063 10.554 -8.302 1.00 0.00 H new ATOM 250 N GLN A 17 32.404 8.237 -9.354 1.00 0.00 N ATOM 251 CA GLN A 17 33.851 8.170 -9.706 1.00 0.00 C ATOM 252 C GLN A 17 34.692 8.430 -8.456 1.00 0.00 C ATOM 253 O GLN A 17 35.679 7.766 -8.207 1.00 0.00 O ATOM 254 CB GLN A 17 34.168 9.222 -10.772 1.00 0.00 C ATOM 255 CG GLN A 17 34.690 8.530 -12.033 1.00 0.00 C ATOM 256 CD GLN A 17 34.689 9.521 -13.199 1.00 0.00 C ATOM 257 OE1 GLN A 17 35.410 10.499 -13.181 1.00 0.00 O ATOM 258 NE2 GLN A 17 33.905 9.308 -14.221 1.00 0.00 N ATOM 0 H GLN A 17 31.863 8.931 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 17 34.085 7.180 -10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 17 33.274 9.800 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.912 9.924 -10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.699 8.154 -11.863 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.065 7.670 -12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.299 8.487 -14.237 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.898 9.962 -15.004 1.00 0.00 H new ATOM 267 N VAL A 18 34.301 9.386 -7.664 1.00 0.00 N ATOM 268 CA VAL A 18 35.065 9.691 -6.422 1.00 0.00 C ATOM 269 C VAL A 18 34.814 8.590 -5.397 1.00 0.00 C ATOM 270 O VAL A 18 35.554 8.425 -4.456 1.00 0.00 O ATOM 271 CB VAL A 18 34.582 11.013 -5.849 1.00 0.00 C ATOM 272 CG1 VAL A 18 35.230 11.246 -4.483 1.00 0.00 C ATOM 273 CG2 VAL A 18 34.959 12.155 -6.796 1.00 0.00 C ATOM 0 H VAL A 18 33.482 9.973 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 18 36.129 9.752 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 18 33.498 10.982 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 18 34.883 12.194 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 18 34.955 10.436 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 18 36.314 11.274 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.611 13.101 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 18 36.042 12.187 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 34.493 11.991 -7.768 1.00 0.00 H new ATOM 283 N LEU A 19 33.767 7.840 -5.566 1.00 0.00 N ATOM 284 CA LEU A 19 33.480 6.746 -4.595 1.00 0.00 C ATOM 285 C LEU A 19 34.592 5.701 -4.687 1.00 0.00 C ATOM 286 O LEU A 19 35.131 5.261 -3.691 1.00 0.00 O ATOM 287 CB LEU A 19 32.140 6.092 -4.935 1.00 0.00 C ATOM 288 CG LEU A 19 31.292 5.979 -3.669 1.00 0.00 C ATOM 289 CD1 LEU A 19 30.007 5.209 -3.980 1.00 0.00 C ATOM 290 CD2 LEU A 19 32.085 5.232 -2.594 1.00 0.00 C ATOM 0 H LEU A 19 33.098 7.933 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 19 33.433 7.154 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 31.615 6.683 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.304 5.104 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 19 31.038 6.977 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 19 29.403 5.129 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 19 29.443 5.738 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 19 30.259 4.211 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.483 5.150 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.337 4.235 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.001 5.779 -2.372 1.00 0.00 H new ATOM 302 N ALA A 20 34.943 5.306 -5.881 1.00 0.00 N ATOM 303 CA ALA A 20 36.025 4.296 -6.050 1.00 0.00 C ATOM 304 C ALA A 20 37.361 4.927 -5.673 1.00 0.00 C ATOM 305 O ALA A 20 38.097 4.413 -4.860 1.00 0.00 O ATOM 306 CB ALA A 20 36.078 3.854 -7.511 1.00 0.00 C ATOM 0 H ALA A 20 34.525 5.641 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 20 35.827 3.435 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 20 36.869 3.115 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 20 35.121 3.415 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.282 4.717 -8.145 1.00 0.00 H new ATOM 312 N ALA A 21 37.671 6.042 -6.268 1.00 0.00 N ATOM 313 CA ALA A 21 38.955 6.737 -5.966 1.00 0.00 C ATOM 314 C ALA A 21 39.134 6.844 -4.454 1.00 0.00 C ATOM 315 O ALA A 21 40.124 6.418 -3.893 1.00 0.00 O ATOM 316 CB ALA A 21 38.899 8.147 -6.561 1.00 0.00 C ATOM 0 H ALA A 21 37.084 6.509 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 21 39.788 6.177 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 21 39.832 8.669 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 38.758 8.081 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 21 38.067 8.696 -6.119 1.00 0.00 H new ATOM 322 N VAL A 22 38.176 7.422 -3.802 1.00 0.00 N ATOM 323 CA VAL A 22 38.249 7.588 -2.323 1.00 0.00 C ATOM 324 C VAL A 22 38.560 6.237 -1.671 1.00 0.00 C ATOM 325 O VAL A 22 39.423 6.130 -0.823 1.00 0.00 O ATOM 326 CB VAL A 22 36.900 8.122 -1.811 1.00 0.00 C ATOM 327 CG1 VAL A 22 36.742 7.814 -0.319 1.00 0.00 C ATOM 328 CG2 VAL A 22 36.845 9.639 -2.020 1.00 0.00 C ATOM 0 H VAL A 22 37.330 7.794 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 22 39.039 8.294 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 22 36.094 7.639 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 35.784 8.197 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 22 36.781 6.736 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.549 8.290 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 22 35.891 10.022 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.658 10.112 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.947 9.864 -3.082 1.00 0.00 H new ATOM 338 N ILE A 23 37.858 5.209 -2.054 1.00 0.00 N ATOM 339 CA ILE A 23 38.104 3.869 -1.449 1.00 0.00 C ATOM 340 C ILE A 23 39.507 3.384 -1.801 1.00 0.00 C ATOM 341 O ILE A 23 40.091 2.610 -1.088 1.00 0.00 O ATOM 342 CB ILE A 23 37.078 2.878 -1.993 1.00 0.00 C ATOM 343 CG1 ILE A 23 35.701 3.185 -1.396 1.00 0.00 C ATOM 344 CG2 ILE A 23 37.492 1.453 -1.622 1.00 0.00 C ATOM 345 CD1 ILE A 23 35.745 2.994 0.122 1.00 0.00 C ATOM 0 H ILE A 23 37.123 5.237 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 23 38.014 3.943 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 23 37.030 2.968 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.409 4.208 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.949 2.528 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 36.758 0.748 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 23 38.469 1.234 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 23 37.544 1.360 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 34.764 3.213 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 23 36.017 1.964 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 36.485 3.669 0.552 1.00 0.00 H new ATOM 357 N PHE A 24 40.059 3.823 -2.885 1.00 0.00 N ATOM 358 CA PHE A 24 41.431 3.364 -3.233 1.00 0.00 C ATOM 359 C PHE A 24 42.389 3.877 -2.163 1.00 0.00 C ATOM 360 O PHE A 24 43.327 3.208 -1.775 1.00 0.00 O ATOM 361 CB PHE A 24 41.825 3.929 -4.599 1.00 0.00 C ATOM 362 CG PHE A 24 42.777 2.977 -5.283 1.00 0.00 C ATOM 363 CD1 PHE A 24 44.031 2.718 -4.717 1.00 0.00 C ATOM 364 CD2 PHE A 24 42.408 2.353 -6.481 1.00 0.00 C ATOM 365 CE1 PHE A 24 44.916 1.837 -5.349 1.00 0.00 C ATOM 366 CE2 PHE A 24 43.294 1.471 -7.113 1.00 0.00 C ATOM 367 CZ PHE A 24 44.548 1.213 -6.547 1.00 0.00 C ATOM 0 H PHE A 24 39.630 4.473 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 24 41.470 2.276 -3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.937 4.076 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 24 42.294 4.905 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.316 3.198 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 24 41.440 2.552 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 24 45.884 1.638 -4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.010 0.990 -8.037 1.00 0.00 H new ATOM 0 HZ PHE A 24 45.231 0.533 -7.034 1.00 0.00 H new ATOM 377 N ILE A 25 42.145 5.058 -1.672 1.00 0.00 N ATOM 378 CA ILE A 25 43.024 5.619 -0.611 1.00 0.00 C ATOM 379 C ILE A 25 42.716 4.918 0.713 1.00 0.00 C ATOM 380 O ILE A 25 43.610 4.558 1.450 1.00 0.00 O ATOM 381 CB ILE A 25 42.777 7.122 -0.480 1.00 0.00 C ATOM 382 CG1 ILE A 25 43.282 7.826 -1.741 1.00 0.00 C ATOM 383 CG2 ILE A 25 43.530 7.659 0.739 1.00 0.00 C ATOM 384 CD1 ILE A 25 42.427 9.064 -2.016 1.00 0.00 C ATOM 0 H ILE A 25 41.374 5.660 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 25 44.070 5.457 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 25 41.710 7.309 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 25 44.326 8.113 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 25 43.239 7.146 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 25 43.354 8.731 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.176 7.153 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 25 44.598 7.476 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 42.789 9.564 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.389 8.765 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 42.493 9.747 -1.169 1.00 0.00 H new ATOM 396 N TYR A 26 41.461 4.690 1.015 1.00 0.00 N ATOM 397 CA TYR A 26 41.136 3.976 2.280 1.00 0.00 C ATOM 398 C TYR A 26 41.793 2.599 2.194 1.00 0.00 C ATOM 399 O TYR A 26 42.712 2.285 2.924 1.00 0.00 O ATOM 400 CB TYR A 26 39.616 3.846 2.409 1.00 0.00 C ATOM 401 CG TYR A 26 39.057 5.139 2.956 1.00 0.00 C ATOM 402 CD1 TYR A 26 39.345 6.348 2.313 1.00 0.00 C ATOM 403 CD2 TYR A 26 38.260 5.130 4.107 1.00 0.00 C ATOM 404 CE1 TYR A 26 38.834 7.549 2.818 1.00 0.00 C ATOM 405 CE2 TYR A 26 37.750 6.332 4.614 1.00 0.00 C ATOM 406 CZ TYR A 26 38.037 7.542 3.969 1.00 0.00 C ATOM 407 OH TYR A 26 37.536 8.727 4.467 1.00 0.00 O ATOM 0 H TYR A 26 40.660 4.965 0.446 1.00 0.00 H new ATOM 0 HA TYR A 26 41.502 4.514 3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 26 39.173 3.625 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 26 39.364 3.017 3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 26 39.962 6.354 1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 26 38.039 4.197 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 26 39.055 8.481 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 26 37.136 6.326 5.502 1.00 0.00 H new ATOM 0 HH TYR A 26 37.003 8.545 5.269 1.00 0.00 H new ATOM 417 N PHE A 27 41.348 1.809 1.256 1.00 0.00 N ATOM 418 CA PHE A 27 41.942 0.460 1.016 1.00 0.00 C ATOM 419 C PHE A 27 43.451 0.533 1.233 1.00 0.00 C ATOM 420 O PHE A 27 44.093 -0.425 1.615 1.00 0.00 O ATOM 421 CB PHE A 27 41.679 0.084 -0.443 1.00 0.00 C ATOM 422 CG PHE A 27 40.608 -0.977 -0.507 1.00 0.00 C ATOM 423 CD1 PHE A 27 39.374 -0.759 0.116 1.00 0.00 C ATOM 424 CD2 PHE A 27 40.846 -2.175 -1.190 1.00 0.00 C ATOM 425 CE1 PHE A 27 38.377 -1.739 0.055 1.00 0.00 C ATOM 426 CE2 PHE A 27 39.849 -3.155 -1.251 1.00 0.00 C ATOM 427 CZ PHE A 27 38.614 -2.937 -0.628 1.00 0.00 C ATOM 0 H PHE A 27 40.579 2.047 0.630 1.00 0.00 H new ATOM 0 HA PHE A 27 41.506 -0.274 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.367 0.964 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.596 -0.282 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.191 0.165 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 27 41.799 -2.343 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 27 37.424 -1.571 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 27 40.032 -4.079 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 27 37.845 -3.693 -0.675 1.00 0.00 H new ATOM 437 N ALA A 28 44.012 1.667 0.947 1.00 0.00 N ATOM 438 CA ALA A 28 45.482 1.853 1.076 1.00 0.00 C ATOM 439 C ALA A 28 45.931 1.994 2.537 1.00 0.00 C ATOM 440 O ALA A 28 46.849 1.327 2.973 1.00 0.00 O ATOM 441 CB ALA A 28 45.865 3.134 0.337 1.00 0.00 C ATOM 0 H ALA A 28 43.506 2.491 0.623 1.00 0.00 H new ATOM 0 HA ALA A 28 45.969 0.972 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.940 3.293 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.589 3.044 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.339 3.980 0.779 1.00 0.00 H new ATOM 447 N ALA A 29 45.355 2.906 3.275 1.00 0.00 N ATOM 448 CA ALA A 29 45.825 3.132 4.666 1.00 0.00 C ATOM 449 C ALA A 29 45.074 2.300 5.711 1.00 0.00 C ATOM 450 O ALA A 29 45.500 1.229 6.093 1.00 0.00 O ATOM 451 CB ALA A 29 45.659 4.614 5.003 1.00 0.00 C ATOM 0 H ALA A 29 44.583 3.500 2.973 1.00 0.00 H new ATOM 0 HA ALA A 29 46.868 2.819 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 29 46.000 4.796 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 29 46.250 5.213 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 29 44.608 4.891 4.917 1.00 0.00 H new ATOM 457 N LEU A 30 44.001 2.830 6.228 1.00 0.00 N ATOM 458 CA LEU A 30 43.262 2.121 7.320 1.00 0.00 C ATOM 459 C LEU A 30 41.937 1.525 6.848 1.00 0.00 C ATOM 460 O LEU A 30 40.977 1.484 7.591 1.00 0.00 O ATOM 461 CB LEU A 30 42.985 3.106 8.457 1.00 0.00 C ATOM 462 CG LEU A 30 42.043 4.206 7.965 1.00 0.00 C ATOM 463 CD1 LEU A 30 40.759 4.188 8.795 1.00 0.00 C ATOM 464 CD2 LEU A 30 42.726 5.567 8.118 1.00 0.00 C ATOM 0 H LEU A 30 43.600 3.724 5.944 1.00 0.00 H new ATOM 0 HA LEU A 30 43.891 1.296 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 30 42.540 2.584 9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 30 43.919 3.544 8.808 1.00 0.00 H new ATOM 0 HG LEU A 30 41.801 4.034 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 30 40.088 4.972 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 30 40.271 3.219 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 30 41.001 4.360 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 30 42.056 6.352 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 30 42.967 5.737 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 43.642 5.583 7.528 1.00 0.00 H new ATOM 476 N SER A 31 41.863 1.049 5.648 1.00 0.00 N ATOM 477 CA SER A 31 40.578 0.449 5.189 1.00 0.00 C ATOM 478 C SER A 31 40.349 -0.886 5.905 1.00 0.00 C ATOM 479 O SER A 31 39.280 -1.140 6.422 1.00 0.00 O ATOM 480 CB SER A 31 40.626 0.218 3.688 1.00 0.00 C ATOM 481 OG SER A 31 39.572 0.944 3.067 1.00 0.00 O ATOM 0 H SER A 31 42.622 1.045 4.966 1.00 0.00 H new ATOM 0 HA SER A 31 39.760 1.131 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.588 0.539 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.529 -0.845 3.469 1.00 0.00 H new ATOM 0 HG SER A 31 38.898 0.318 2.729 1.00 0.00 H new ATOM 487 N PRO A 32 41.371 -1.695 5.906 1.00 0.00 N ATOM 488 CA PRO A 32 41.424 -3.057 6.529 1.00 0.00 C ATOM 489 C PRO A 32 41.812 -2.956 8.006 1.00 0.00 C ATOM 490 O PRO A 32 42.200 -3.928 8.623 1.00 0.00 O ATOM 491 CB PRO A 32 42.487 -3.816 5.747 1.00 0.00 C ATOM 492 CG PRO A 32 43.405 -2.774 5.140 1.00 0.00 C ATOM 493 CD PRO A 32 42.704 -1.420 5.280 1.00 0.00 C ATOM 0 HA PRO A 32 40.457 -3.559 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 32 43.043 -4.488 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.032 -4.431 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 32 44.368 -2.764 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 32 43.603 -2.999 4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 32 43.291 -0.741 5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 32 42.585 -0.942 4.308 1.00 0.00 H new ATOM 501 N ALA A 33 41.706 -1.788 8.580 1.00 0.00 N ATOM 502 CA ALA A 33 42.062 -1.630 10.016 1.00 0.00 C ATOM 503 C ALA A 33 40.820 -1.883 10.875 1.00 0.00 C ATOM 504 O ALA A 33 40.808 -2.751 11.725 1.00 0.00 O ATOM 505 CB ALA A 33 42.578 -0.211 10.265 1.00 0.00 C ATOM 0 H ALA A 33 41.388 -0.938 8.115 1.00 0.00 H new ATOM 0 HA ALA A 33 42.841 -2.346 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 33 42.838 -0.098 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 33 43.461 -0.032 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 33 41.803 0.509 10.003 1.00 0.00 H new