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= -5.14! C(o=-5.1!,f=-9.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N SER A 15 23.692 5.919 9.247 1.00 0.00 N ATOM 226 CA SER A 15 24.765 6.264 10.215 1.00 0.00 C ATOM 227 C SER A 15 26.097 5.619 9.814 1.00 0.00 C ATOM 228 O SER A 15 27.099 6.301 9.721 1.00 0.00 O ATOM 229 CB SER A 15 24.353 5.754 11.587 1.00 0.00 C ATOM 230 OG SER A 15 24.603 6.753 12.572 1.00 0.00 O ATOM 0 HA SER A 15 24.901 7.345 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 23.295 5.491 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 24.907 4.847 11.828 1.00 0.00 H new ATOM 0 HG SER A 15 24.334 6.418 13.453 1.00 0.00 H new ATOM 236 N PRO A 16 26.083 4.324 9.604 1.00 0.00 N ATOM 237 CA PRO A 16 27.278 3.501 9.224 1.00 0.00 C ATOM 238 C PRO A 16 27.526 3.598 7.719 1.00 0.00 C ATOM 239 O PRO A 16 28.632 3.412 7.249 1.00 0.00 O ATOM 240 CB PRO A 16 26.949 2.076 9.642 1.00 0.00 C ATOM 241 CG PRO A 16 25.440 1.975 9.693 1.00 0.00 C ATOM 242 CD PRO A 16 24.890 3.403 9.685 1.00 0.00 C ATOM 0 HA PRO A 16 28.188 3.848 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.361 1.359 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 16 27.385 1.847 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.063 1.413 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 16 25.120 1.445 10.590 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.223 3.557 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.309 3.600 10.586 1.00 0.00 H new ATOM 250 N GLN A 17 26.513 3.911 6.962 1.00 0.00 N ATOM 251 CA GLN A 17 26.702 4.046 5.492 1.00 0.00 C ATOM 252 C GLN A 17 27.505 5.321 5.221 1.00 0.00 C ATOM 253 O GLN A 17 28.023 5.528 4.142 1.00 0.00 O ATOM 254 CB GLN A 17 25.333 4.142 4.813 1.00 0.00 C ATOM 255 CG GLN A 17 25.496 4.683 3.389 1.00 0.00 C ATOM 256 CD GLN A 17 25.537 6.212 3.426 1.00 0.00 C ATOM 257 OE1 GLN A 17 25.427 6.809 4.478 1.00 0.00 O ATOM 258 NE2 GLN A 17 25.691 6.876 2.313 1.00 0.00 N ATOM 0 H GLN A 17 25.564 4.079 7.297 1.00 0.00 H new ATOM 0 HA GLN A 17 27.236 3.181 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.860 3.160 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.677 4.796 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.412 4.295 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 17 24.669 4.346 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.783 6.375 1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 17 25.719 7.896 2.327 1.00 0.00 H new ATOM 267 N VAL A 18 27.610 6.176 6.203 1.00 0.00 N ATOM 268 CA VAL A 18 28.374 7.441 6.024 1.00 0.00 C ATOM 269 C VAL A 18 29.862 7.172 6.279 1.00 0.00 C ATOM 270 O VAL A 18 30.721 7.764 5.658 1.00 0.00 O ATOM 271 CB VAL A 18 27.831 8.484 7.006 1.00 0.00 C ATOM 272 CG1 VAL A 18 28.892 9.548 7.304 1.00 0.00 C ATOM 273 CG2 VAL A 18 26.603 9.157 6.390 1.00 0.00 C ATOM 0 H VAL A 18 27.196 6.050 7.127 1.00 0.00 H new ATOM 0 HA VAL A 18 28.261 7.818 5.008 1.00 0.00 H new ATOM 0 HB VAL A 18 27.563 7.986 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 18 28.487 10.280 8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 18 29.770 9.074 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 18 29.175 10.049 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 18 26.210 9.901 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 18 26.885 9.644 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 25.838 8.406 6.191 1.00 0.00 H new ATOM 283 N LEU A 19 30.173 6.271 7.170 1.00 0.00 N ATOM 284 CA LEU A 19 31.606 5.954 7.435 1.00 0.00 C ATOM 285 C LEU A 19 32.197 5.327 6.172 1.00 0.00 C ATOM 286 O LEU A 19 33.192 5.783 5.644 1.00 0.00 O ATOM 287 CB LEU A 19 31.706 4.964 8.598 1.00 0.00 C ATOM 288 CG LEU A 19 32.916 5.309 9.466 1.00 0.00 C ATOM 289 CD1 LEU A 19 32.571 6.487 10.377 1.00 0.00 C ATOM 290 CD2 LEU A 19 33.287 4.097 10.323 1.00 0.00 C ATOM 0 H LEU A 19 29.500 5.742 7.725 1.00 0.00 H new ATOM 0 HA LEU A 19 32.152 6.860 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.796 4.998 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.798 3.947 8.216 1.00 0.00 H new ATOM 0 HG LEU A 19 33.757 5.577 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.434 6.733 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.302 7.351 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.730 6.218 11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.150 4.340 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.445 3.831 10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.531 3.255 9.676 1.00 0.00 H new ATOM 302 N ALA A 20 31.576 4.295 5.670 1.00 0.00 N ATOM 303 CA ALA A 20 32.087 3.658 4.428 1.00 0.00 C ATOM 304 C ALA A 20 32.212 4.735 3.355 1.00 0.00 C ATOM 305 O ALA A 20 33.238 4.894 2.727 1.00 0.00 O ATOM 306 CB ALA A 20 31.094 2.599 3.956 1.00 0.00 C ATOM 0 H ALA A 20 30.739 3.868 6.067 1.00 0.00 H new ATOM 0 HA ALA A 20 33.054 3.191 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.467 2.131 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.974 1.842 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.131 3.068 3.755 1.00 0.00 H new ATOM 312 N ALA A 21 31.163 5.480 3.157 1.00 0.00 N ATOM 313 CA ALA A 21 31.191 6.566 2.142 1.00 0.00 C ATOM 314 C ALA A 21 32.507 7.324 2.268 1.00 0.00 C ATOM 315 O ALA A 21 33.244 7.492 1.317 1.00 0.00 O ATOM 316 CB ALA A 21 30.031 7.527 2.410 1.00 0.00 C ATOM 0 H ALA A 21 30.280 5.382 3.659 1.00 0.00 H new ATOM 0 HA ALA A 21 31.099 6.145 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 30.043 8.327 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 21 29.087 6.986 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 21 30.135 7.954 3.408 1.00 0.00 H new ATOM 322 N VAL A 22 32.796 7.784 3.446 1.00 0.00 N ATOM 323 CA VAL A 22 34.058 8.543 3.672 1.00 0.00 C ATOM 324 C VAL A 22 35.211 7.849 2.940 1.00 0.00 C ATOM 325 O VAL A 22 35.983 8.481 2.248 1.00 0.00 O ATOM 326 CB VAL A 22 34.347 8.612 5.178 1.00 0.00 C ATOM 327 CG1 VAL A 22 35.817 8.974 5.416 1.00 0.00 C ATOM 328 CG2 VAL A 22 33.458 9.684 5.809 1.00 0.00 C ATOM 0 H VAL A 22 32.209 7.668 4.272 1.00 0.00 H new ATOM 0 HA VAL A 22 33.954 9.556 3.284 1.00 0.00 H new ATOM 0 HB VAL A 22 34.141 7.641 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 36.011 9.020 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 36.456 8.216 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 36.030 9.944 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 22 33.658 9.739 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 22 33.671 10.650 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.411 9.429 5.648 1.00 0.00 H new ATOM 338 N ILE A 23 35.338 6.559 3.084 1.00 0.00 N ATOM 339 CA ILE A 23 36.447 5.845 2.388 1.00 0.00 C ATOM 340 C ILE A 23 36.221 5.898 0.875 1.00 0.00 C ATOM 341 O ILE A 23 37.150 6.060 0.109 1.00 0.00 O ATOM 342 CB ILE A 23 36.498 4.389 2.853 1.00 0.00 C ATOM 343 CG1 ILE A 23 36.458 4.343 4.383 1.00 0.00 C ATOM 344 CG2 ILE A 23 37.796 3.741 2.361 1.00 0.00 C ATOM 345 CD1 ILE A 23 36.569 2.891 4.854 1.00 0.00 C ATOM 0 H ILE A 23 34.726 5.971 3.650 1.00 0.00 H new ATOM 0 HA ILE A 23 37.394 6.329 2.628 1.00 0.00 H new ATOM 0 HB ILE A 23 35.643 3.848 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 23 37.275 4.934 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 23 35.530 4.784 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 23 37.833 2.703 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 23 37.830 3.776 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 23 38.650 4.282 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 23 36.541 2.859 5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.737 2.313 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 23 37.509 2.465 4.503 1.00 0.00 H new ATOM 357 N PHE A 24 34.999 5.772 0.432 1.00 0.00 N ATOM 358 CA PHE A 24 34.737 5.828 -1.033 1.00 0.00 C ATOM 359 C PHE A 24 35.363 7.105 -1.591 1.00 0.00 C ATOM 360 O PHE A 24 35.943 7.112 -2.658 1.00 0.00 O ATOM 361 CB PHE A 24 33.227 5.833 -1.285 1.00 0.00 C ATOM 362 CG PHE A 24 32.899 4.851 -2.387 1.00 0.00 C ATOM 363 CD1 PHE A 24 32.960 3.472 -2.142 1.00 0.00 C ATOM 364 CD2 PHE A 24 32.534 5.320 -3.654 1.00 0.00 C ATOM 365 CE1 PHE A 24 32.657 2.565 -3.165 1.00 0.00 C ATOM 366 CE2 PHE A 24 32.230 4.412 -4.676 1.00 0.00 C ATOM 367 CZ PHE A 24 32.292 3.035 -4.432 1.00 0.00 C ATOM 0 H PHE A 24 34.176 5.634 1.018 1.00 0.00 H new ATOM 0 HA PHE A 24 35.172 4.958 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 24 32.694 5.564 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 24 32.897 6.834 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 24 33.241 3.109 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 24 32.487 6.382 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.705 1.503 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 24 31.947 4.775 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.058 2.336 -5.221 1.00 0.00 H new ATOM 377 N ILE A 25 35.270 8.183 -0.861 1.00 0.00 N ATOM 378 CA ILE A 25 35.882 9.454 -1.335 1.00 0.00 C ATOM 379 C ILE A 25 37.397 9.288 -1.322 1.00 0.00 C ATOM 380 O ILE A 25 38.084 9.748 -2.212 1.00 0.00 O ATOM 381 CB ILE A 25 35.479 10.603 -0.408 1.00 0.00 C ATOM 382 CG1 ILE A 25 33.998 10.465 -0.036 1.00 0.00 C ATOM 383 CG2 ILE A 25 35.704 11.937 -1.124 1.00 0.00 C ATOM 384 CD1 ILE A 25 33.523 11.727 0.691 1.00 0.00 C ATOM 0 H ILE A 25 34.797 8.237 0.041 1.00 0.00 H new ATOM 0 HA ILE A 25 35.537 9.683 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 25 36.085 10.570 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 25 33.402 10.306 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.854 9.592 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 25 35.417 12.757 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.757 12.035 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 25 35.098 11.971 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 25 32.470 11.622 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.110 11.867 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 33.651 12.592 0.040 1.00 0.00 H new ATOM 396 N TYR A 26 37.936 8.614 -0.337 1.00 0.00 N ATOM 397 CA TYR A 26 39.407 8.418 -0.332 1.00 0.00 C ATOM 398 C TYR A 26 39.767 7.623 -1.584 1.00 0.00 C ATOM 399 O TYR A 26 40.880 7.667 -2.062 1.00 0.00 O ATOM 400 CB TYR A 26 39.862 7.663 0.915 1.00 0.00 C ATOM 401 CG TYR A 26 41.352 7.855 1.061 1.00 0.00 C ATOM 402 CD1 TYR A 26 41.888 9.149 1.087 1.00 0.00 C ATOM 403 CD2 TYR A 26 42.200 6.745 1.148 1.00 0.00 C ATOM 404 CE1 TYR A 26 43.271 9.333 1.205 1.00 0.00 C ATOM 405 CE2 TYR A 26 43.583 6.929 1.263 1.00 0.00 C ATOM 406 CZ TYR A 26 44.119 8.223 1.292 1.00 0.00 C ATOM 407 OH TYR A 26 45.483 8.404 1.402 1.00 0.00 O ATOM 0 H TYR A 26 37.429 8.201 0.446 1.00 0.00 H new ATOM 0 HA TYR A 26 39.908 9.386 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 26 39.342 8.036 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 26 39.621 6.603 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 26 41.234 10.005 1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.788 5.747 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.683 10.331 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 26 44.237 6.072 1.329 1.00 0.00 H new ATOM 0 HH TYR A 26 45.926 7.531 1.453 1.00 0.00 H new ATOM 417 N PHE A 27 38.806 6.927 -2.141 1.00 0.00 N ATOM 418 CA PHE A 27 39.056 6.168 -3.397 1.00 0.00 C ATOM 419 C PHE A 27 39.142 7.201 -4.506 1.00 0.00 C ATOM 420 O PHE A 27 39.923 7.102 -5.427 1.00 0.00 O ATOM 421 CB PHE A 27 37.883 5.216 -3.669 1.00 0.00 C ATOM 422 CG PHE A 27 38.383 3.930 -4.295 1.00 0.00 C ATOM 423 CD1 PHE A 27 39.149 3.032 -3.541 1.00 0.00 C ATOM 424 CD2 PHE A 27 38.078 3.635 -5.631 1.00 0.00 C ATOM 425 CE1 PHE A 27 39.610 1.843 -4.123 1.00 0.00 C ATOM 426 CE2 PHE A 27 38.538 2.447 -6.211 1.00 0.00 C ATOM 427 CZ PHE A 27 39.304 1.551 -5.457 1.00 0.00 C ATOM 0 H PHE A 27 37.857 6.854 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 27 39.968 5.574 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 27 37.361 4.996 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 27 37.163 5.695 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.385 3.256 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 27 37.487 4.326 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 27 40.202 1.152 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.302 2.222 -7.241 1.00 0.00 H new ATOM 0 HZ PHE A 27 39.659 0.634 -5.904 1.00 0.00 H new ATOM 437 N ALA A 28 38.345 8.217 -4.386 1.00 0.00 N ATOM 438 CA ALA A 28 38.354 9.317 -5.380 1.00 0.00 C ATOM 439 C ALA A 28 39.757 9.930 -5.411 1.00 0.00 C ATOM 440 O ALA A 28 40.353 10.124 -6.452 1.00 0.00 O ATOM 441 CB ALA A 28 37.351 10.375 -4.917 1.00 0.00 C ATOM 0 H ALA A 28 37.674 8.334 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 28 38.089 8.952 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.336 11.199 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.357 9.931 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.644 10.750 -3.936 1.00 0.00 H new ATOM 447 N ALA A 29 40.269 10.237 -4.252 1.00 0.00 N ATOM 448 CA ALA A 29 41.625 10.851 -4.129 1.00 0.00 C ATOM 449 C ALA A 29 42.716 9.901 -4.630 1.00 0.00 C ATOM 450 O ALA A 29 43.628 10.306 -5.312 1.00 0.00 O ATOM 451 CB ALA A 29 41.885 11.132 -2.656 1.00 0.00 C ATOM 0 H ALA A 29 39.794 10.085 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 29 41.651 11.761 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.871 11.582 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.127 11.817 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.843 10.199 -2.095 1.00 0.00 H new ATOM 457 N LEU A 30 42.636 8.651 -4.261 1.00 0.00 N ATOM 458 CA LEU A 30 43.677 7.639 -4.671 1.00 0.00 C ATOM 459 C LEU A 30 43.975 7.696 -6.182 1.00 0.00 C ATOM 460 O LEU A 30 44.916 7.089 -6.649 1.00 0.00 O ATOM 461 CB LEU A 30 43.194 6.228 -4.296 1.00 0.00 C ATOM 462 CG LEU A 30 42.345 5.637 -5.431 1.00 0.00 C ATOM 463 CD1 LEU A 30 43.258 4.970 -6.458 1.00 0.00 C ATOM 464 CD2 LEU A 30 41.376 4.597 -4.865 1.00 0.00 C ATOM 0 H LEU A 30 41.885 8.274 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 30 44.600 7.878 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 30 44.051 5.583 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 42.608 6.269 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 30 41.779 6.437 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.655 4.551 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 43.946 5.709 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 30 43.825 4.173 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 40.776 4.181 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 30 41.940 3.798 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 40.721 5.070 -4.134 1.00 0.00 H new ATOM 476 N SER A 31 43.171 8.389 -6.939 1.00 0.00 N ATOM 477 CA SER A 31 43.378 8.476 -8.424 1.00 0.00 C ATOM 478 C SER A 31 44.862 8.330 -8.829 1.00 0.00 C ATOM 479 O SER A 31 45.181 7.552 -9.705 1.00 0.00 O ATOM 480 CB SER A 31 42.849 9.824 -8.923 1.00 0.00 C ATOM 481 OG SER A 31 43.752 10.366 -9.879 1.00 0.00 O ATOM 0 H SER A 31 42.365 8.909 -6.592 1.00 0.00 H new ATOM 0 HA SER A 31 42.835 7.648 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.863 9.696 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 31 42.733 10.513 -8.086 1.00 0.00 H new ATOM 0 HG SER A 31 43.412 11.228 -10.199 1.00 0.00 H new ATOM 487 N PRO A 32 45.717 9.091 -8.202 1.00 0.00 N ATOM 488 CA PRO A 32 47.198 9.140 -8.443 1.00 0.00 C ATOM 489 C PRO A 32 47.917 8.063 -7.625 1.00 0.00 C ATOM 490 O PRO A 32 48.918 7.522 -8.047 1.00 0.00 O ATOM 491 CB PRO A 32 47.626 10.539 -8.021 1.00 0.00 C ATOM 492 CG PRO A 32 46.579 11.036 -7.043 1.00 0.00 C ATOM 493 CD PRO A 32 45.404 10.059 -7.108 1.00 0.00 C ATOM 0 HA PRO A 32 47.451 8.944 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 32 48.612 10.519 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 32 47.694 11.200 -8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 32 46.986 11.082 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 46.257 12.044 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 32 45.277 9.542 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 32 44.472 10.586 -7.311 1.00 0.00 H new ATOM 501 N ALA A 33 47.408 7.737 -6.469 1.00 0.00 N ATOM 502 CA ALA A 33 48.054 6.679 -5.639 1.00 0.00 C ATOM 503 C ALA A 33 48.280 5.433 -6.491 1.00 0.00 C ATOM 504 O ALA A 33 49.102 4.598 -6.175 1.00 0.00 O ATOM 505 CB ALA A 33 47.136 6.321 -4.476 1.00 0.00 C ATOM 0 H ALA A 33 46.572 8.157 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 33 49.008 7.047 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 33 47.605 5.548 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 33 46.960 7.207 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 33 46.186 5.952 -4.863 1.00 0.00 H new