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= -0.0763 USER MOD Single : A 17 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.6) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -80:sc= -1.7! USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 22.548 6.288 4.788 1.00 0.00 N ATOM 226 CA SER A 15 23.626 5.486 5.424 1.00 0.00 C ATOM 227 C SER A 15 24.997 5.967 4.938 1.00 0.00 C ATOM 228 O SER A 15 25.733 5.219 4.324 1.00 0.00 O ATOM 229 CB SER A 15 23.443 4.015 5.053 1.00 0.00 C ATOM 230 OG SER A 15 23.818 3.202 6.157 1.00 0.00 O ATOM 0 HA SER A 15 23.571 5.606 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 15 22.405 3.823 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 24.051 3.769 4.182 1.00 0.00 H new ATOM 0 HG SER A 15 23.700 2.258 5.923 1.00 0.00 H new ATOM 236 N PRO A 16 25.301 7.205 5.234 1.00 0.00 N ATOM 237 CA PRO A 16 26.575 7.910 4.882 1.00 0.00 C ATOM 238 C PRO A 16 27.595 7.736 6.010 1.00 0.00 C ATOM 239 O PRO A 16 28.626 7.114 5.842 1.00 0.00 O ATOM 240 CB PRO A 16 26.190 9.375 4.739 1.00 0.00 C ATOM 241 CG PRO A 16 24.936 9.575 5.570 1.00 0.00 C ATOM 242 CD PRO A 16 24.443 8.186 5.983 1.00 0.00 C ATOM 0 HA PRO A 16 27.028 7.517 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 16 26.994 10.023 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.007 9.628 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.149 10.185 6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.173 10.099 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.535 8.043 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.390 8.055 5.733 1.00 0.00 H new ATOM 250 N GLN A 17 27.310 8.280 7.161 1.00 0.00 N ATOM 251 CA GLN A 17 28.254 8.144 8.303 1.00 0.00 C ATOM 252 C GLN A 17 28.430 6.659 8.632 1.00 0.00 C ATOM 253 O GLN A 17 29.449 6.242 9.144 1.00 0.00 O ATOM 254 CB GLN A 17 27.688 8.877 9.523 1.00 0.00 C ATOM 255 CG GLN A 17 28.096 10.351 9.469 1.00 0.00 C ATOM 256 CD GLN A 17 29.619 10.463 9.564 1.00 0.00 C ATOM 257 OE1 GLN A 17 30.265 9.620 10.153 1.00 0.00 O ATOM 258 NE2 GLN A 17 30.222 11.476 9.004 1.00 0.00 N ATOM 0 H GLN A 17 26.463 8.813 7.359 1.00 0.00 H new ATOM 0 HA GLN A 17 29.218 8.578 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 17 26.602 8.790 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 17 28.059 8.419 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 17 27.745 10.803 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 17 27.629 10.899 10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 17 29.678 12.183 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 17 31.237 11.560 9.061 1.00 0.00 H new ATOM 267 N VAL A 18 27.441 5.857 8.335 1.00 0.00 N ATOM 268 CA VAL A 18 27.548 4.399 8.625 1.00 0.00 C ATOM 269 C VAL A 18 28.507 3.748 7.628 1.00 0.00 C ATOM 270 O VAL A 18 29.127 2.750 7.922 1.00 0.00 O ATOM 271 CB VAL A 18 26.173 3.749 8.507 1.00 0.00 C ATOM 272 CG1 VAL A 18 26.268 2.278 8.916 1.00 0.00 C ATOM 273 CG2 VAL A 18 25.183 4.470 9.425 1.00 0.00 C ATOM 0 H VAL A 18 26.564 6.150 7.904 1.00 0.00 H new ATOM 0 HA VAL A 18 27.927 4.261 9.638 1.00 0.00 H new ATOM 0 HB VAL A 18 25.827 3.819 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 18 25.286 1.813 8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 26.971 1.763 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 18 26.615 2.209 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.201 4.004 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 18 25.528 4.402 10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 18 25.114 5.518 9.134 1.00 0.00 H new ATOM 283 N LEU A 19 28.645 4.306 6.455 1.00 0.00 N ATOM 284 CA LEU A 19 29.585 3.709 5.464 1.00 0.00 C ATOM 285 C LEU A 19 31.009 3.872 5.994 1.00 0.00 C ATOM 286 O LEU A 19 31.755 2.920 6.107 1.00 0.00 O ATOM 287 CB LEU A 19 29.451 4.425 4.117 1.00 0.00 C ATOM 288 CG LEU A 19 29.936 3.498 3.000 1.00 0.00 C ATOM 289 CD1 LEU A 19 28.786 3.221 2.030 1.00 0.00 C ATOM 290 CD2 LEU A 19 31.089 4.165 2.244 1.00 0.00 C ATOM 0 H LEU A 19 28.152 5.142 6.142 1.00 0.00 H new ATOM 0 HA LEU A 19 29.354 2.653 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.413 4.708 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.036 5.345 4.121 1.00 0.00 H new ATOM 0 HG LEU A 19 30.281 2.559 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 19 29.132 2.561 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.965 2.745 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.441 4.160 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.433 3.504 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.745 5.104 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 31.910 4.362 2.933 1.00 0.00 H new ATOM 302 N ALA A 20 31.382 5.073 6.344 1.00 0.00 N ATOM 303 CA ALA A 20 32.747 5.299 6.897 1.00 0.00 C ATOM 304 C ALA A 20 32.974 4.304 8.027 1.00 0.00 C ATOM 305 O ALA A 20 33.992 3.649 8.112 1.00 0.00 O ATOM 306 CB ALA A 20 32.831 6.713 7.462 1.00 0.00 C ATOM 0 H ALA A 20 30.800 5.907 6.271 1.00 0.00 H new ATOM 0 HA ALA A 20 33.497 5.170 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.828 6.884 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.634 7.434 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.091 6.833 8.254 1.00 0.00 H new ATOM 312 N ALA A 21 32.011 4.198 8.893 1.00 0.00 N ATOM 313 CA ALA A 21 32.109 3.253 10.041 1.00 0.00 C ATOM 314 C ALA A 21 32.471 1.863 9.523 1.00 0.00 C ATOM 315 O ALA A 21 33.431 1.255 9.950 1.00 0.00 O ATOM 316 CB ALA A 21 30.749 3.191 10.741 1.00 0.00 C ATOM 0 H ALA A 21 31.144 4.734 8.856 1.00 0.00 H new ATOM 0 HA ALA A 21 32.875 3.591 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 21 30.805 2.503 11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 30.479 4.184 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 29.993 2.842 10.037 1.00 0.00 H new ATOM 322 N VAL A 22 31.702 1.360 8.605 1.00 0.00 N ATOM 323 CA VAL A 22 31.982 0.009 8.044 1.00 0.00 C ATOM 324 C VAL A 22 33.457 -0.079 7.652 1.00 0.00 C ATOM 325 O VAL A 22 34.061 -1.131 7.705 1.00 0.00 O ATOM 326 CB VAL A 22 31.109 -0.223 6.810 1.00 0.00 C ATOM 327 CG1 VAL A 22 31.479 -1.561 6.165 1.00 0.00 C ATOM 328 CG2 VAL A 22 29.637 -0.250 7.227 1.00 0.00 C ATOM 0 H VAL A 22 30.884 1.828 8.214 1.00 0.00 H new ATOM 0 HA VAL A 22 31.758 -0.751 8.792 1.00 0.00 H new ATOM 0 HB VAL A 22 31.272 0.582 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 22 30.856 -1.726 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 22 32.528 -1.544 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 31.317 -2.367 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 29.013 -0.415 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 22 29.476 -1.056 7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 29.372 0.702 7.687 1.00 0.00 H new ATOM 338 N ILE A 23 34.038 1.019 7.255 1.00 0.00 N ATOM 339 CA ILE A 23 35.474 1.004 6.858 1.00 0.00 C ATOM 340 C ILE A 23 36.352 1.002 8.111 1.00 0.00 C ATOM 341 O ILE A 23 37.387 0.369 8.148 1.00 0.00 O ATOM 342 CB ILE A 23 35.785 2.240 6.010 1.00 0.00 C ATOM 343 CG1 ILE A 23 35.028 2.148 4.682 1.00 0.00 C ATOM 344 CG2 ILE A 23 37.288 2.307 5.733 1.00 0.00 C ATOM 345 CD1 ILE A 23 35.246 3.431 3.878 1.00 0.00 C ATOM 0 H ILE A 23 33.580 1.928 7.188 1.00 0.00 H new ATOM 0 HA ILE A 23 35.679 0.107 6.274 1.00 0.00 H new ATOM 0 HB ILE A 23 35.475 3.136 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.376 1.286 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 23 33.964 1.999 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 23 37.508 3.187 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 23 37.829 2.370 6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 23 37.599 1.411 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 23 34.707 3.364 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 23 34.877 4.284 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 36.310 3.560 3.680 1.00 0.00 H new ATOM 357 N PHE A 24 35.946 1.691 9.141 1.00 0.00 N ATOM 358 CA PHE A 24 36.759 1.704 10.388 1.00 0.00 C ATOM 359 C PHE A 24 36.862 0.269 10.905 1.00 0.00 C ATOM 360 O PHE A 24 37.918 -0.188 11.295 1.00 0.00 O ATOM 361 CB PHE A 24 36.076 2.593 11.433 1.00 0.00 C ATOM 362 CG PHE A 24 37.027 3.681 11.878 1.00 0.00 C ATOM 363 CD1 PHE A 24 37.502 4.619 10.952 1.00 0.00 C ATOM 364 CD2 PHE A 24 37.429 3.754 13.217 1.00 0.00 C ATOM 365 CE1 PHE A 24 38.380 5.628 11.366 1.00 0.00 C ATOM 366 CE2 PHE A 24 38.307 4.764 13.631 1.00 0.00 C ATOM 367 CZ PHE A 24 38.782 5.701 12.706 1.00 0.00 C ATOM 0 H PHE A 24 35.089 2.244 9.173 1.00 0.00 H new ATOM 0 HA PHE A 24 37.755 2.100 10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 24 35.173 3.036 11.013 1.00 0.00 H new ATOM 0 HB3 PHE A 24 35.768 1.993 12.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.191 4.564 9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 24 37.062 3.031 13.931 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.747 6.350 10.652 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.617 4.820 14.664 1.00 0.00 H new ATOM 0 HZ PHE A 24 39.458 6.480 13.025 1.00 0.00 H new ATOM 377 N ILE A 25 35.774 -0.453 10.887 1.00 0.00 N ATOM 378 CA ILE A 25 35.812 -1.866 11.349 1.00 0.00 C ATOM 379 C ILE A 25 36.467 -2.708 10.257 1.00 0.00 C ATOM 380 O ILE A 25 37.145 -3.679 10.529 1.00 0.00 O ATOM 381 CB ILE A 25 34.389 -2.362 11.607 1.00 0.00 C ATOM 382 CG1 ILE A 25 33.742 -1.494 12.688 1.00 0.00 C ATOM 383 CG2 ILE A 25 34.431 -3.816 12.082 1.00 0.00 C ATOM 384 CD1 ILE A 25 32.437 -0.899 12.157 1.00 0.00 C ATOM 0 H ILE A 25 34.862 -0.123 10.572 1.00 0.00 H new ATOM 0 HA ILE A 25 36.381 -1.946 12.275 1.00 0.00 H new ATOM 0 HB ILE A 25 33.808 -2.299 10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 25 33.545 -2.091 13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.423 -0.696 12.984 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.416 -4.168 12.266 1.00 0.00 H new ATOM 0 HG22 ILE A 25 34.897 -4.436 11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 25 35.010 -3.881 13.003 1.00 0.00 H new ATOM 0 HD11 ILE A 25 31.978 -0.281 12.929 1.00 0.00 H new ATOM 0 HD12 ILE A 25 32.647 -0.287 11.280 1.00 0.00 H new ATOM 0 HD13 ILE A 25 31.755 -1.704 11.884 1.00 0.00 H new ATOM 396 N TYR A 26 36.298 -2.323 9.017 1.00 0.00 N ATOM 397 CA TYR A 26 36.944 -3.082 7.916 1.00 0.00 C ATOM 398 C TYR A 26 38.451 -2.879 8.045 1.00 0.00 C ATOM 399 O TYR A 26 39.243 -3.641 7.532 1.00 0.00 O ATOM 400 CB TYR A 26 36.459 -2.544 6.568 1.00 0.00 C ATOM 401 CG TYR A 26 35.564 -3.563 5.904 1.00 0.00 C ATOM 402 CD1 TYR A 26 35.886 -4.924 5.962 1.00 0.00 C ATOM 403 CD2 TYR A 26 34.410 -3.145 5.229 1.00 0.00 C ATOM 404 CE1 TYR A 26 35.054 -5.867 5.345 1.00 0.00 C ATOM 405 CE2 TYR A 26 33.579 -4.087 4.612 1.00 0.00 C ATOM 406 CZ TYR A 26 33.901 -5.448 4.671 1.00 0.00 C ATOM 407 OH TYR A 26 33.082 -6.378 4.063 1.00 0.00 O ATOM 0 H TYR A 26 35.742 -1.519 8.725 1.00 0.00 H new ATOM 0 HA TYR A 26 36.693 -4.141 7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 26 35.917 -1.609 6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 26 37.312 -2.322 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 26 36.776 -5.247 6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 26 34.161 -2.095 5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 26 35.302 -6.917 5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 26 32.690 -3.764 4.091 1.00 0.00 H new ATOM 0 HH TYR A 26 32.325 -5.921 3.641 1.00 0.00 H new ATOM 417 N PHE A 27 38.841 -1.854 8.756 1.00 0.00 N ATOM 418 CA PHE A 27 40.283 -1.577 8.968 1.00 0.00 C ATOM 419 C PHE A 27 40.747 -2.398 10.171 1.00 0.00 C ATOM 420 O PHE A 27 41.833 -2.941 10.197 1.00 0.00 O ATOM 421 CB PHE A 27 40.463 -0.084 9.261 1.00 0.00 C ATOM 422 CG PHE A 27 41.697 0.426 8.558 1.00 0.00 C ATOM 423 CD1 PHE A 27 41.756 0.426 7.159 1.00 0.00 C ATOM 424 CD2 PHE A 27 42.784 0.898 9.304 1.00 0.00 C ATOM 425 CE1 PHE A 27 42.900 0.898 6.507 1.00 0.00 C ATOM 426 CE2 PHE A 27 43.928 1.370 8.651 1.00 0.00 C ATOM 427 CZ PHE A 27 43.987 1.370 7.252 1.00 0.00 C ATOM 0 H PHE A 27 38.209 -1.190 9.203 1.00 0.00 H new ATOM 0 HA PHE A 27 40.865 -1.842 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 27 39.586 0.471 8.926 1.00 0.00 H new ATOM 0 HB3 PHE A 27 40.551 0.078 10.335 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.918 0.062 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 27 42.739 0.898 10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 27 42.945 0.898 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 27 44.766 1.735 9.226 1.00 0.00 H new ATOM 0 HZ PHE A 27 44.870 1.734 6.748 1.00 0.00 H new ATOM 437 N ALA A 28 39.905 -2.491 11.162 1.00 0.00 N ATOM 438 CA ALA A 28 40.238 -3.275 12.384 1.00 0.00 C ATOM 439 C ALA A 28 40.708 -4.673 11.988 1.00 0.00 C ATOM 440 O ALA A 28 41.726 -5.152 12.439 1.00 0.00 O ATOM 441 CB ALA A 28 38.977 -3.403 13.234 1.00 0.00 C ATOM 0 H ALA A 28 38.986 -2.050 11.177 1.00 0.00 H new ATOM 0 HA ALA A 28 41.028 -2.771 12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.202 -3.975 14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.624 -2.410 13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.203 -3.915 12.662 1.00 0.00 H new ATOM 447 N ALA A 29 39.951 -5.334 11.166 1.00 0.00 N ATOM 448 CA ALA A 29 40.319 -6.716 10.738 1.00 0.00 C ATOM 449 C ALA A 29 41.441 -6.678 9.700 1.00 0.00 C ATOM 450 O ALA A 29 42.401 -7.415 9.778 1.00 0.00 O ATOM 451 CB ALA A 29 39.102 -7.372 10.099 1.00 0.00 C ATOM 0 H ALA A 29 39.084 -4.977 10.766 1.00 0.00 H new ATOM 0 HA ALA A 29 40.654 -7.275 11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.358 -8.383 9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 29 38.289 -7.414 10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.787 -6.789 9.234 1.00 0.00 H new ATOM 457 N LEU A 30 41.299 -5.845 8.710 1.00 0.00 N ATOM 458 CA LEU A 30 42.326 -5.762 7.620 1.00 0.00 C ATOM 459 C LEU A 30 43.676 -5.230 8.137 1.00 0.00 C ATOM 460 O LEU A 30 44.592 -5.022 7.367 1.00 0.00 O ATOM 461 CB LEU A 30 41.818 -4.820 6.525 1.00 0.00 C ATOM 462 CG LEU A 30 41.010 -5.609 5.493 1.00 0.00 C ATOM 463 CD1 LEU A 30 41.910 -6.655 4.836 1.00 0.00 C ATOM 464 CD2 LEU A 30 39.837 -6.309 6.183 1.00 0.00 C ATOM 0 H LEU A 30 40.509 -5.209 8.602 1.00 0.00 H new ATOM 0 HA LEU A 30 42.482 -6.769 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 30 41.198 -4.038 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 30 42.659 -4.325 6.040 1.00 0.00 H new ATOM 0 HG LEU A 30 40.628 -4.926 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 41.336 -7.218 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 30 42.745 -6.158 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 42.292 -7.336 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 39.263 -6.870 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 40.217 -6.992 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 30 39.194 -5.564 6.653 1.00 0.00 H new ATOM 476 N SER A 31 43.816 -4.989 9.411 1.00 0.00 N ATOM 477 CA SER A 31 45.115 -4.453 9.921 1.00 0.00 C ATOM 478 C SER A 31 46.303 -5.227 9.328 1.00 0.00 C ATOM 479 O SER A 31 47.213 -4.632 8.785 1.00 0.00 O ATOM 480 CB SER A 31 45.158 -4.548 11.448 1.00 0.00 C ATOM 481 OG SER A 31 43.955 -5.135 11.919 1.00 0.00 O ATOM 0 H SER A 31 43.096 -5.137 10.118 1.00 0.00 H new ATOM 0 HA SER A 31 45.192 -3.410 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 31 46.014 -5.145 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 45.285 -3.556 11.881 1.00 0.00 H new ATOM 0 HG SER A 31 43.249 -4.456 11.946 1.00 0.00 H new ATOM 487 N PRO A 32 46.277 -6.525 9.478 1.00 0.00 N ATOM 488 CA PRO A 32 47.328 -7.495 9.024 1.00 0.00 C ATOM 489 C PRO A 32 47.030 -8.041 7.621 1.00 0.00 C ATOM 490 O PRO A 32 47.898 -8.587 6.969 1.00 0.00 O ATOM 491 CB PRO A 32 47.275 -8.622 10.049 1.00 0.00 C ATOM 492 CG PRO A 32 45.881 -8.593 10.651 1.00 0.00 C ATOM 493 CD PRO A 32 45.197 -7.325 10.135 1.00 0.00 C ATOM 0 HA PRO A 32 48.308 -7.022 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 32 47.474 -9.585 9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 32 48.033 -8.482 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 32 45.318 -9.480 10.362 1.00 0.00 H new ATOM 0 HG3 PRO A 32 45.931 -8.588 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 32 44.404 -7.567 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 32 44.737 -6.768 10.951 1.00 0.00 H new ATOM 501 N ALA A 33 45.819 -7.919 7.151 1.00 0.00 N ATOM 502 CA ALA A 33 45.499 -8.457 5.796 1.00 0.00 C ATOM 503 C ALA A 33 46.025 -7.509 4.714 1.00 0.00 C ATOM 504 O ALA A 33 46.337 -7.922 3.615 1.00 0.00 O ATOM 505 CB ALA A 33 43.986 -8.605 5.645 1.00 0.00 C ATOM 0 H ALA A 33 45.042 -7.474 7.641 1.00 0.00 H new ATOM 0 HA ALA A 33 45.976 -9.430 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 33 43.756 -8.998 4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 33 43.610 -9.291 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 33 43.511 -7.632 5.768 1.00 0.00 H new