USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 19 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 21 THR OG1 : rot -89:sc= -0.598 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 160:sc= -1.37 USER MOD Single : A 35 GLN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.024) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -17:sc= 0.0261 USER MOD Single : A 54 SER OG : rot -19:sc= 0.928 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -104:sc= 0.0348 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 14.293 -1.294 4.456 1.00 0.00 N ATOM 269 CA VAL A 18 13.914 -2.544 5.107 1.00 0.00 C ATOM 270 C VAL A 18 14.710 -2.761 6.390 1.00 0.00 C ATOM 271 O VAL A 18 15.868 -3.176 6.350 1.00 0.00 O ATOM 272 CB VAL A 18 14.127 -3.754 4.177 1.00 0.00 C ATOM 273 CG1 VAL A 18 13.728 -5.044 4.879 1.00 0.00 C ATOM 274 CG2 VAL A 18 13.344 -3.583 2.884 1.00 0.00 C ATOM 0 HA VAL A 18 12.854 -2.462 5.347 1.00 0.00 H new ATOM 0 HB VAL A 18 15.187 -3.812 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.885 -5.888 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.337 -5.175 5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.676 -4.995 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.508 -4.448 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.281 -3.496 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.680 -2.682 2.371 1.00 0.00 H new ATOM 284 N SER A 19 14.079 -2.483 7.527 1.00 0.00 N ATOM 285 CA SER A 19 14.727 -2.654 8.821 1.00 0.00 C ATOM 286 C SER A 19 14.504 -4.068 9.348 1.00 0.00 C ATOM 287 O SER A 19 13.373 -4.552 9.391 1.00 0.00 O ATOM 288 CB SER A 19 14.192 -1.629 9.823 1.00 0.00 C ATOM 289 OG SER A 19 12.830 -1.330 9.567 1.00 0.00 O ATOM 0 H SER A 19 13.120 -2.139 7.577 1.00 0.00 H new ATOM 0 HA SER A 19 15.798 -2.495 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.299 -2.016 10.836 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.785 -0.716 9.766 1.00 0.00 H new ATOM 0 HG SER A 19 12.511 -0.674 10.221 1.00 0.00 H new ATOM 295 N PHE A 20 15.589 -4.727 9.742 1.00 0.00 N ATOM 296 CA PHE A 20 15.506 -6.089 10.258 1.00 0.00 C ATOM 297 C PHE A 20 15.308 -6.098 11.768 1.00 0.00 C ATOM 298 O PHE A 20 15.720 -5.170 12.466 1.00 0.00 O ATOM 299 CB PHE A 20 16.769 -6.874 9.893 1.00 0.00 C ATOM 300 CG PHE A 20 16.649 -7.660 8.615 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.413 -8.097 8.163 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.775 -7.963 7.869 1.00 0.00 C ATOM 303 CE1 PHE A 20 15.303 -8.819 6.992 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.672 -8.685 6.695 1.00 0.00 C ATOM 305 CZ PHE A 20 16.434 -9.114 6.256 1.00 0.00 C ATOM 0 H PHE A 20 16.533 -4.342 9.714 1.00 0.00 H new ATOM 0 HA PHE A 20 14.641 -6.567 9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.604 -6.179 9.804 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.009 -7.557 10.708 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.525 -7.869 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.745 -7.631 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.334 -9.153 6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.558 -8.914 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.351 -9.679 5.339 1.00 0.00 H new ATOM 315 N THR A 21 14.672 -7.155 12.267 1.00 0.00 N ATOM 316 CA THR A 21 14.417 -7.289 13.698 1.00 0.00 C ATOM 317 C THR A 21 13.970 -8.705 14.046 1.00 0.00 C ATOM 318 O THR A 21 13.710 -9.521 13.162 1.00 0.00 O ATOM 319 CB THR A 21 13.344 -6.291 14.174 1.00 0.00 C ATOM 320 OG1 THR A 21 12.940 -6.601 15.513 1.00 0.00 O ATOM 321 CG2 THR A 21 12.131 -6.320 13.255 1.00 0.00 C ATOM 0 H THR A 21 14.324 -7.930 11.702 1.00 0.00 H new ATOM 0 HA THR A 21 15.355 -7.071 14.208 1.00 0.00 H new ATOM 0 HB THR A 21 13.777 -5.291 14.149 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.195 -7.238 15.491 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.387 -5.607 13.611 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.435 -6.052 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.701 -7.322 13.251 1.00 0.00 H new ATOM 329 N GLY A 22 13.885 -8.989 15.341 1.00 0.00 N ATOM 330 CA GLY A 22 13.471 -10.306 15.788 1.00 0.00 C ATOM 331 C GLY A 22 14.637 -11.265 15.920 1.00 0.00 C ATOM 332 O GLY A 22 14.764 -11.963 16.925 1.00 0.00 O ATOM 0 H GLY A 22 14.096 -8.330 16.090 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.966 -10.218 16.750 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.746 -10.714 15.084 1.00 0.00 H new ATOM 336 N GLY A 23 15.492 -11.296 14.902 1.00 0.00 N ATOM 337 CA GLY A 23 16.643 -12.178 14.927 1.00 0.00 C ATOM 338 C GLY A 23 17.780 -11.617 15.759 1.00 0.00 C ATOM 339 O GLY A 23 17.694 -10.497 16.264 1.00 0.00 O ATOM 0 H GLY A 23 15.407 -10.726 14.061 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.346 -13.147 15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.991 -12.347 13.908 1.00 0.00 H new ATOM 343 N LYS A 24 18.846 -12.397 15.905 1.00 0.00 N ATOM 344 CA LYS A 24 20.002 -11.970 16.685 1.00 0.00 C ATOM 345 C LYS A 24 21.196 -11.686 15.780 1.00 0.00 C ATOM 346 O LYS A 24 21.789 -12.602 15.209 1.00 0.00 O ATOM 347 CB LYS A 24 20.372 -13.039 17.716 1.00 0.00 C ATOM 348 CG LYS A 24 19.857 -12.738 19.113 1.00 0.00 C ATOM 349 CD LYS A 24 20.951 -12.163 19.998 1.00 0.00 C ATOM 350 CE LYS A 24 20.460 -10.952 20.776 1.00 0.00 C ATOM 351 NZ LYS A 24 21.452 -9.840 20.759 1.00 0.00 N ATOM 0 H LYS A 24 18.933 -13.327 15.494 1.00 0.00 H new ATOM 0 HA LYS A 24 19.737 -11.050 17.205 1.00 0.00 H new ATOM 0 HB2 LYS A 24 19.974 -14.000 17.390 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.457 -13.139 17.751 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.028 -12.033 19.052 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.466 -13.651 19.562 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.297 -12.928 20.693 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.806 -11.880 19.384 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.518 -10.605 20.351 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.257 -11.241 21.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.079 -9.034 21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.343 -10.163 21.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.627 -9.546 19.777 1.00 0.00 H new ATOM 365 N ALA A 25 21.546 -10.409 15.657 1.00 0.00 N ATOM 366 CA ALA A 25 22.670 -10.001 14.825 1.00 0.00 C ATOM 367 C ALA A 25 23.994 -10.430 15.448 1.00 0.00 C ATOM 368 O ALA A 25 24.255 -10.156 16.620 1.00 0.00 O ATOM 369 CB ALA A 25 22.651 -8.494 14.613 1.00 0.00 C ATOM 0 H ALA A 25 21.066 -9.639 16.124 1.00 0.00 H new ATOM 0 HA ALA A 25 22.573 -10.494 13.858 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.497 -8.204 13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.722 -8.208 14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.721 -7.990 15.577 1.00 0.00 H new ATOM 375 N ILE A 26 24.829 -11.097 14.657 1.00 0.00 N ATOM 376 CA ILE A 26 26.127 -11.556 15.135 1.00 0.00 C ATOM 377 C ILE A 26 26.996 -10.374 15.540 1.00 0.00 C ATOM 378 O ILE A 26 27.951 -10.520 16.302 1.00 0.00 O ATOM 379 CB ILE A 26 26.868 -12.378 14.061 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.113 -11.528 12.813 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.076 -13.628 13.712 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.533 -11.025 12.687 1.00 0.00 C ATOM 0 H ILE A 26 24.630 -11.331 13.684 1.00 0.00 H new ATOM 0 HA ILE A 26 25.944 -12.193 16.000 1.00 0.00 H new ATOM 0 HB ILE A 26 27.834 -12.684 14.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.866 -12.117 11.930 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.435 -10.675 12.827 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.612 -14.198 12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.951 -14.241 14.605 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.097 -13.343 13.328 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.629 -10.431 11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.779 -10.408 13.552 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.216 -11.873 12.640 1.00 0.00 H new ATOM 394 N SER A 27 26.653 -9.202 15.018 1.00 0.00 N ATOM 395 CA SER A 27 27.393 -7.982 15.311 1.00 0.00 C ATOM 396 C SER A 27 26.644 -6.763 14.792 1.00 0.00 C ATOM 397 O SER A 27 26.058 -6.794 13.711 1.00 0.00 O ATOM 398 CB SER A 27 28.786 -8.047 14.685 1.00 0.00 C ATOM 399 OG SER A 27 29.572 -6.932 15.067 1.00 0.00 O ATOM 0 H SER A 27 25.863 -9.072 14.386 1.00 0.00 H new ATOM 0 HA SER A 27 27.494 -7.892 16.393 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.283 -8.968 14.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.698 -8.079 13.599 1.00 0.00 H new ATOM 0 HG SER A 27 30.458 -7.000 14.654 1.00 0.00 H new ATOM 405 N GLU A 28 26.666 -5.691 15.572 1.00 0.00 N ATOM 406 CA GLU A 28 25.989 -4.459 15.195 1.00 0.00 C ATOM 407 C GLU A 28 26.956 -3.283 15.242 1.00 0.00 C ATOM 408 O GLU A 28 27.797 -3.193 16.137 1.00 0.00 O ATOM 409 CB GLU A 28 24.807 -4.192 16.125 1.00 0.00 C ATOM 410 CG GLU A 28 24.296 -5.431 16.843 1.00 0.00 C ATOM 411 CD GLU A 28 23.758 -5.124 18.227 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.154 -4.045 18.405 1.00 0.00 O ATOM 413 OE2 GLU A 28 23.940 -5.964 19.134 1.00 0.00 O ATOM 0 H GLU A 28 27.146 -5.650 16.471 1.00 0.00 H new ATOM 0 HA GLU A 28 25.619 -4.573 14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.101 -3.450 16.867 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.992 -3.758 15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.510 -5.894 16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.104 -6.158 16.925 1.00 0.00 H new ATOM 420 N ALA A 29 26.831 -2.385 14.275 1.00 0.00 N ATOM 421 CA ALA A 29 27.696 -1.213 14.207 1.00 0.00 C ATOM 422 C ALA A 29 26.888 0.077 14.279 1.00 0.00 C ATOM 423 O ALA A 29 26.342 0.534 13.276 1.00 0.00 O ATOM 424 CB ALA A 29 28.526 -1.244 12.934 1.00 0.00 C ATOM 0 H ALA A 29 26.140 -2.444 13.527 1.00 0.00 H new ATOM 0 HA ALA A 29 28.364 -1.239 15.068 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.167 -0.363 12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.143 -2.143 12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.864 -1.248 12.068 1.00 0.00 H new ATOM 430 N LYS A 30 26.821 0.664 15.471 1.00 0.00 N ATOM 431 CA LYS A 30 26.085 1.907 15.669 1.00 0.00 C ATOM 432 C LYS A 30 26.652 3.014 14.786 1.00 0.00 C ATOM 433 O LYS A 30 27.561 3.740 15.189 1.00 0.00 O ATOM 434 CB LYS A 30 26.140 2.330 17.138 1.00 0.00 C ATOM 435 CG LYS A 30 25.783 1.215 18.108 1.00 0.00 C ATOM 436 CD LYS A 30 26.655 1.257 19.352 1.00 0.00 C ATOM 437 CE LYS A 30 25.831 1.071 20.616 1.00 0.00 C ATOM 438 NZ LYS A 30 25.848 -0.342 21.087 1.00 0.00 N ATOM 0 H LYS A 30 27.267 0.299 16.312 1.00 0.00 H new ATOM 0 HA LYS A 30 25.045 1.736 15.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.143 2.691 17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.458 3.166 17.292 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.735 1.302 18.394 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.899 0.251 17.614 1.00 0.00 H new ATOM 0 HD2 LYS A 30 27.413 0.476 19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 30 27.182 2.210 19.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.219 1.720 21.401 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.802 1.379 20.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.275 -0.427 21.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.454 -0.959 20.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 26.827 -0.628 21.292 1.00 0.00 H new ATOM 452 N ALA A 31 26.114 3.129 13.575 1.00 0.00 N ATOM 453 CA ALA A 31 26.572 4.138 12.630 1.00 0.00 C ATOM 454 C ALA A 31 25.401 4.915 12.038 1.00 0.00 C ATOM 455 O ALA A 31 24.270 4.430 12.016 1.00 0.00 O ATOM 456 CB ALA A 31 27.383 3.484 11.521 1.00 0.00 C ATOM 0 H ALA A 31 25.361 2.535 13.227 1.00 0.00 H new ATOM 0 HA ALA A 31 27.204 4.844 13.169 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.721 4.247 10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.247 2.979 11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.762 2.758 10.996 1.00 0.00 H new ATOM 462 N ALA A 32 25.685 6.119 11.554 1.00 0.00 N ATOM 463 CA ALA A 32 24.659 6.964 10.955 1.00 0.00 C ATOM 464 C ALA A 32 24.646 6.806 9.439 1.00 0.00 C ATOM 465 O ALA A 32 23.825 7.409 8.748 1.00 0.00 O ATOM 466 CB ALA A 32 24.885 8.419 11.335 1.00 0.00 C ATOM 0 H ALA A 32 26.618 6.532 11.565 1.00 0.00 H new ATOM 0 HA ALA A 32 23.689 6.649 11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 32 24.111 9.038 10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.842 8.523 12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.863 8.741 10.978 1.00 0.00 H new ATOM 472 N SER A 33 25.563 5.988 8.929 1.00 0.00 N ATOM 473 CA SER A 33 25.662 5.745 7.496 1.00 0.00 C ATOM 474 C SER A 33 26.036 4.292 7.219 1.00 0.00 C ATOM 475 O SER A 33 26.910 3.730 7.879 1.00 0.00 O ATOM 476 CB SER A 33 26.698 6.680 6.868 1.00 0.00 C ATOM 477 OG SER A 33 28.016 6.259 7.173 1.00 0.00 O ATOM 0 H SER A 33 26.249 5.482 9.490 1.00 0.00 H new ATOM 0 HA SER A 33 24.688 5.944 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.562 6.705 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.544 7.696 7.232 1.00 0.00 H new ATOM 0 HG SER A 33 28.659 6.872 6.759 1.00 0.00 H new ATOM 483 N SER A 34 25.368 3.692 6.239 1.00 0.00 N ATOM 484 CA SER A 34 25.626 2.304 5.871 1.00 0.00 C ATOM 485 C SER A 34 27.090 2.097 5.503 1.00 0.00 C ATOM 486 O SER A 34 27.642 1.014 5.695 1.00 0.00 O ATOM 487 CB SER A 34 24.737 1.896 4.699 1.00 0.00 C ATOM 488 OG SER A 34 23.487 2.563 4.746 1.00 0.00 O ATOM 0 H SER A 34 24.642 4.146 5.684 1.00 0.00 H new ATOM 0 HA SER A 34 25.396 1.679 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.240 2.127 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.578 0.818 4.718 1.00 0.00 H new ATOM 0 HG SER A 34 23.074 2.547 3.857 1.00 0.00 H new ATOM 494 N GLN A 35 27.711 3.143 4.966 1.00 0.00 N ATOM 495 CA GLN A 35 29.112 3.082 4.565 1.00 0.00 C ATOM 496 C GLN A 35 29.985 2.586 5.713 1.00 0.00 C ATOM 497 O GLN A 35 30.854 1.735 5.523 1.00 0.00 O ATOM 498 CB GLN A 35 29.582 4.460 4.092 1.00 0.00 C ATOM 499 CG GLN A 35 31.090 4.656 4.157 1.00 0.00 C ATOM 500 CD GLN A 35 31.816 3.987 3.005 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.451 4.653 2.188 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.724 2.664 2.935 1.00 0.00 N ATOM 0 H GLN A 35 27.265 4.045 4.798 1.00 0.00 H new ATOM 0 HA GLN A 35 29.205 2.375 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.250 4.613 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.100 5.225 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.314 5.723 4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.464 4.255 5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.186 2.152 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.191 2.159 2.182 1.00 0.00 H new ATOM 511 N ALA A 36 29.744 3.118 6.905 1.00 0.00 N ATOM 512 CA ALA A 36 30.505 2.724 8.084 1.00 0.00 C ATOM 513 C ALA A 36 30.216 1.276 8.453 1.00 0.00 C ATOM 514 O ALA A 36 31.070 0.581 9.003 1.00 0.00 O ATOM 515 CB ALA A 36 30.186 3.646 9.252 1.00 0.00 C ATOM 0 H ALA A 36 29.028 3.823 7.081 1.00 0.00 H new ATOM 0 HA ALA A 36 31.567 2.811 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.762 3.339 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.446 4.671 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.122 3.589 9.481 1.00 0.00 H new ATOM 521 N CYS A 37 29.006 0.824 8.137 1.00 0.00 N ATOM 522 CA CYS A 37 28.603 -0.547 8.425 1.00 0.00 C ATOM 523 C CYS A 37 29.250 -1.508 7.437 1.00 0.00 C ATOM 524 O CYS A 37 29.454 -2.684 7.739 1.00 0.00 O ATOM 525 CB CYS A 37 27.079 -0.677 8.363 1.00 0.00 C ATOM 526 SG CYS A 37 26.472 -2.393 8.428 1.00 0.00 S ATOM 0 H CYS A 37 28.288 1.388 7.682 1.00 0.00 H new ATOM 0 HA CYS A 37 28.937 -0.802 9.431 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.644 -0.118 9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.723 -0.212 7.443 1.00 0.00 H new ATOM 531 N GLN A 38 29.577 -0.994 6.255 1.00 0.00 N ATOM 532 CA GLN A 38 30.209 -1.798 5.217 1.00 0.00 C ATOM 533 C GLN A 38 31.661 -2.092 5.579 1.00 0.00 C ATOM 534 O GLN A 38 32.114 -3.233 5.485 1.00 0.00 O ATOM 535 CB GLN A 38 30.143 -1.074 3.872 1.00 0.00 C ATOM 536 CG GLN A 38 28.726 -0.863 3.365 1.00 0.00 C ATOM 537 CD GLN A 38 28.686 -0.184 2.010 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.331 -0.629 1.061 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.926 0.901 1.914 1.00 0.00 N ATOM 0 H GLN A 38 29.414 -0.022 5.993 1.00 0.00 H new ATOM 0 HA GLN A 38 29.670 -2.742 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.635 -0.106 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.703 -1.646 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.220 -1.826 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.172 -0.261 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.408 1.235 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.860 1.401 1.027 1.00 0.00 H new ATOM 548 N GLU A 39 32.381 -1.056 5.996 1.00 0.00 N ATOM 549 CA GLU A 39 33.781 -1.203 6.377 1.00 0.00 C ATOM 550 C GLU A 39 33.900 -2.016 7.663 1.00 0.00 C ATOM 551 O GLU A 39 34.845 -2.783 7.843 1.00 0.00 O ATOM 552 CB GLU A 39 34.432 0.175 6.545 1.00 0.00 C ATOM 553 CG GLU A 39 34.604 0.615 7.993 1.00 0.00 C ATOM 554 CD GLU A 39 34.626 2.123 8.145 1.00 0.00 C ATOM 555 OE1 GLU A 39 33.722 2.788 7.596 1.00 0.00 O ATOM 556 OE2 GLU A 39 35.545 2.638 8.815 1.00 0.00 O ATOM 0 H GLU A 39 32.019 -0.106 6.079 1.00 0.00 H new ATOM 0 HA GLU A 39 34.305 -1.738 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 39 35.409 0.163 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 39 33.827 0.916 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 39 33.791 0.205 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.532 0.200 8.387 1.00 0.00 H new ATOM 563 N LEU A 40 32.927 -1.840 8.551 1.00 0.00 N ATOM 564 CA LEU A 40 32.908 -2.556 9.821 1.00 0.00 C ATOM 565 C LEU A 40 32.727 -4.052 9.588 1.00 0.00 C ATOM 566 O LEU A 40 33.555 -4.861 10.006 1.00 0.00 O ATOM 567 CB LEU A 40 31.783 -2.011 10.713 1.00 0.00 C ATOM 568 CG LEU A 40 31.518 -2.777 12.020 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.483 -3.870 11.799 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.802 -3.364 12.586 1.00 0.00 C ATOM 0 H LEU A 40 32.140 -1.206 8.414 1.00 0.00 H new ATOM 0 HA LEU A 40 33.862 -2.402 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.016 -0.976 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.861 -1.998 10.131 1.00 0.00 H new ATOM 0 HG LEU A 40 31.125 -2.068 12.749 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.309 -4.401 12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.550 -3.423 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.848 -4.570 11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.581 -3.899 13.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.237 -4.053 11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.509 -2.561 12.792 1.00 0.00 H new ATOM 582 N CYS A 41 31.639 -4.411 8.918 1.00 0.00 N ATOM 583 CA CYS A 41 31.348 -5.809 8.629 1.00 0.00 C ATOM 584 C CYS A 41 32.456 -6.433 7.785 1.00 0.00 C ATOM 585 O CYS A 41 32.672 -7.644 7.825 1.00 0.00 O ATOM 586 CB CYS A 41 30.003 -5.928 7.912 1.00 0.00 C ATOM 587 SG CYS A 41 29.972 -7.163 6.571 1.00 0.00 S ATOM 0 H CYS A 41 30.944 -3.753 8.565 1.00 0.00 H new ATOM 0 HA CYS A 41 31.295 -6.351 9.573 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.236 -6.184 8.643 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.737 -4.955 7.499 1.00 0.00 H new ATOM 592 N GLU A 42 33.158 -5.595 7.026 1.00 0.00 N ATOM 593 CA GLU A 42 34.246 -6.066 6.176 1.00 0.00 C ATOM 594 C GLU A 42 35.405 -6.586 7.019 1.00 0.00 C ATOM 595 O GLU A 42 36.147 -7.474 6.595 1.00 0.00 O ATOM 596 CB GLU A 42 34.731 -4.941 5.261 1.00 0.00 C ATOM 597 CG GLU A 42 34.411 -5.168 3.793 1.00 0.00 C ATOM 598 CD GLU A 42 35.182 -4.238 2.877 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.327 -4.578 2.512 1.00 0.00 O ATOM 600 OE2 GLU A 42 34.641 -3.168 2.525 1.00 0.00 O ATOM 0 H GLU A 42 32.993 -4.589 6.983 1.00 0.00 H new ATOM 0 HA GLU A 42 33.868 -6.884 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.278 -4.003 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.809 -4.830 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.639 -6.201 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.342 -5.027 3.632 1.00 0.00 H new ATOM 607 N LYS A 43 35.556 -6.027 8.217 1.00 0.00 N ATOM 608 CA LYS A 43 36.624 -6.433 9.122 1.00 0.00 C ATOM 609 C LYS A 43 36.285 -7.756 9.806 1.00 0.00 C ATOM 610 O LYS A 43 37.161 -8.425 10.354 1.00 0.00 O ATOM 611 CB LYS A 43 36.876 -5.340 10.169 1.00 0.00 C ATOM 612 CG LYS A 43 36.116 -5.540 11.472 1.00 0.00 C ATOM 613 CD LYS A 43 37.021 -6.081 12.565 1.00 0.00 C ATOM 614 CE LYS A 43 37.108 -5.124 13.743 1.00 0.00 C ATOM 615 NZ LYS A 43 36.330 -5.610 14.915 1.00 0.00 N ATOM 0 H LYS A 43 34.951 -5.291 8.582 1.00 0.00 H new ATOM 0 HA LYS A 43 37.532 -6.576 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.943 -5.299 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.600 -4.375 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.684 -4.592 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.287 -6.229 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.645 -7.045 12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 43 38.018 -6.253 12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.152 -4.995 14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.737 -4.144 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.416 -4.928 15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.329 -5.709 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.700 -6.533 15.219 1.00 0.00 H new ATOM 629 N ASP A 44 35.009 -8.125 9.767 1.00 0.00 N ATOM 630 CA ASP A 44 34.552 -9.367 10.381 1.00 0.00 C ATOM 631 C ASP A 44 34.264 -10.425 9.321 1.00 0.00 C ATOM 632 O ASP A 44 33.931 -10.100 8.181 1.00 0.00 O ATOM 633 CB ASP A 44 33.298 -9.113 11.220 1.00 0.00 C ATOM 634 CG ASP A 44 33.279 -9.934 12.494 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.917 -11.127 12.426 1.00 0.00 O ATOM 636 OD2 ASP A 44 33.625 -9.383 13.560 1.00 0.00 O ATOM 0 H ASP A 44 34.273 -7.582 9.317 1.00 0.00 H new ATOM 0 HA ASP A 44 35.346 -9.737 11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.241 -8.054 11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.414 -9.347 10.627 1.00 0.00 H new ATOM 641 N ALA A 45 34.395 -11.691 9.704 1.00 0.00 N ATOM 642 CA ALA A 45 34.149 -12.797 8.786 1.00 0.00 C ATOM 643 C ALA A 45 32.787 -13.431 9.044 1.00 0.00 C ATOM 644 O ALA A 45 32.274 -14.183 8.215 1.00 0.00 O ATOM 645 CB ALA A 45 35.251 -13.839 8.909 1.00 0.00 C ATOM 0 H ALA A 45 34.670 -11.976 10.644 1.00 0.00 H new ATOM 0 HA ALA A 45 34.150 -12.402 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.055 -14.659 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.211 -13.383 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.277 -14.222 9.929 1.00 0.00 H new ATOM 651 N LYS A 46 32.203 -13.123 10.199 1.00 0.00 N ATOM 652 CA LYS A 46 30.899 -13.661 10.567 1.00 0.00 C ATOM 653 C LYS A 46 29.776 -12.854 9.926 1.00 0.00 C ATOM 654 O LYS A 46 28.599 -13.067 10.218 1.00 0.00 O ATOM 655 CB LYS A 46 30.736 -13.664 12.088 1.00 0.00 C ATOM 656 CG LYS A 46 30.897 -15.039 12.715 1.00 0.00 C ATOM 657 CD LYS A 46 31.800 -14.992 13.937 1.00 0.00 C ATOM 658 CE LYS A 46 31.802 -16.319 14.678 1.00 0.00 C ATOM 659 NZ LYS A 46 32.742 -16.308 15.833 1.00 0.00 N ATOM 0 H LYS A 46 32.614 -12.502 10.896 1.00 0.00 H new ATOM 0 HA LYS A 46 30.841 -14.686 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.470 -12.987 12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.751 -13.272 12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 46 29.919 -15.427 12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.313 -15.729 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.816 -14.743 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.466 -14.200 14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.795 -16.539 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.080 -17.118 13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.714 -17.231 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.707 -16.123 15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.462 -15.562 16.502 1.00 0.00 H new ATOM 673 N CYS A 47 30.147 -11.927 9.049 1.00 0.00 N ATOM 674 CA CYS A 47 29.170 -11.088 8.364 1.00 0.00 C ATOM 675 C CYS A 47 28.889 -11.613 6.960 1.00 0.00 C ATOM 676 O CYS A 47 29.788 -12.110 6.281 1.00 0.00 O ATOM 677 CB CYS A 47 29.669 -9.644 8.290 1.00 0.00 C ATOM 678 SG CYS A 47 28.656 -8.562 7.229 1.00 0.00 S ATOM 0 H CYS A 47 31.117 -11.738 8.796 1.00 0.00 H new ATOM 0 HA CYS A 47 28.242 -11.116 8.935 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.694 -9.227 9.297 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.694 -9.643 7.919 1.00 0.00 H new ATOM 683 N ARG A 48 27.636 -11.499 6.531 1.00 0.00 N ATOM 684 CA ARG A 48 27.235 -11.961 5.207 1.00 0.00 C ATOM 685 C ARG A 48 26.086 -11.119 4.665 1.00 0.00 C ATOM 686 O ARG A 48 26.021 -10.837 3.467 1.00 0.00 O ATOM 687 CB ARG A 48 26.825 -13.434 5.260 1.00 0.00 C ATOM 688 CG ARG A 48 27.854 -14.374 4.652 1.00 0.00 C ATOM 689 CD ARG A 48 27.611 -14.578 3.165 1.00 0.00 C ATOM 690 NE ARG A 48 28.655 -15.393 2.548 1.00 0.00 N ATOM 691 CZ ARG A 48 28.418 -16.318 1.621 1.00 0.00 C ATOM 692 NH1 ARG A 48 27.179 -16.542 1.204 1.00 0.00 N ATOM 693 NH2 ARG A 48 29.422 -17.018 1.110 1.00 0.00 N ATOM 0 H ARG A 48 26.881 -11.090 7.081 1.00 0.00 H new ATOM 0 HA ARG A 48 28.088 -11.854 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.654 -13.718 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.877 -13.558 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.854 -13.969 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.817 -15.336 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 48 26.643 -15.057 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.566 -13.609 2.668 1.00 0.00 H new ATOM 0 HE ARG A 48 29.620 -15.245 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 48 26.405 -16.005 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 48 27.001 -17.252 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.376 -16.847 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 48 29.240 -17.727 0.400 1.00 0.00 H new ATOM 707 N PHE A 49 25.182 -10.720 5.554 1.00 0.00 N ATOM 708 CA PHE A 49 24.033 -9.908 5.167 1.00 0.00 C ATOM 709 C PHE A 49 23.851 -8.736 6.126 1.00 0.00 C ATOM 710 O PHE A 49 23.070 -8.812 7.074 1.00 0.00 O ATOM 711 CB PHE A 49 22.763 -10.761 5.140 1.00 0.00 C ATOM 712 CG PHE A 49 22.881 -11.987 4.280 1.00 0.00 C ATOM 713 CD1 PHE A 49 22.768 -11.896 2.902 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.104 -13.231 4.851 1.00 0.00 C ATOM 715 CE1 PHE A 49 22.875 -13.023 2.108 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.212 -14.360 4.063 1.00 0.00 C ATOM 717 CZ PHE A 49 23.098 -14.257 2.689 1.00 0.00 C ATOM 0 H PHE A 49 25.223 -10.946 6.548 1.00 0.00 H new ATOM 0 HA PHE A 49 24.218 -9.514 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.517 -11.064 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 49 21.934 -10.152 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 49 22.594 -10.934 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.194 -13.318 5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 49 22.784 -12.939 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.385 -15.323 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.183 -15.139 2.071 1.00 0.00 H new ATOM 727 N PHE A 50 24.577 -7.650 5.871 1.00 0.00 N ATOM 728 CA PHE A 50 24.493 -6.462 6.712 1.00 0.00 C ATOM 729 C PHE A 50 23.111 -5.822 6.609 1.00 0.00 C ATOM 730 O PHE A 50 22.388 -6.039 5.636 1.00 0.00 O ATOM 731 CB PHE A 50 25.578 -5.454 6.321 1.00 0.00 C ATOM 732 CG PHE A 50 25.178 -4.532 5.205 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.189 -4.967 3.890 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.791 -3.229 5.473 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.821 -4.120 2.862 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.421 -2.377 4.449 1.00 0.00 C ATOM 737 CZ PHE A 50 24.436 -2.824 3.143 1.00 0.00 C ATOM 0 H PHE A 50 25.228 -7.570 5.090 1.00 0.00 H new ATOM 0 HA PHE A 50 24.653 -6.764 7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.839 -4.858 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.476 -5.997 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.489 -5.980 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.778 -2.875 6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.834 -4.471 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.121 -1.363 4.670 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.147 -2.160 2.341 1.00 0.00 H new ATOM 747 N THR A 51 22.750 -5.037 7.619 1.00 0.00 N ATOM 748 CA THR A 51 21.453 -4.371 7.643 1.00 0.00 C ATOM 749 C THR A 51 21.468 -3.163 8.576 1.00 0.00 C ATOM 750 O THR A 51 21.326 -3.302 9.792 1.00 0.00 O ATOM 751 CB THR A 51 20.338 -5.340 8.086 1.00 0.00 C ATOM 752 OG1 THR A 51 20.278 -6.457 7.192 1.00 0.00 O ATOM 753 CG2 THR A 51 18.988 -4.641 8.120 1.00 0.00 C ATOM 0 H THR A 51 23.337 -4.847 8.431 1.00 0.00 H new ATOM 0 HA THR A 51 21.250 -4.033 6.627 1.00 0.00 H new ATOM 0 HB THR A 51 20.572 -5.688 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.757 -6.240 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.220 -5.348 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.027 -3.809 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.748 -4.265 7.126 1.00 0.00 H new ATOM 761 N LEU A 52 21.640 -1.978 7.998 1.00 0.00 N ATOM 762 CA LEU A 52 21.672 -0.743 8.774 1.00 0.00 C ATOM 763 C LEU A 52 20.306 -0.060 8.758 1.00 0.00 C ATOM 764 O LEU A 52 19.559 -0.172 7.788 1.00 0.00 O ATOM 765 CB LEU A 52 22.738 0.206 8.216 1.00 0.00 C ATOM 766 CG LEU A 52 22.769 1.597 8.855 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.025 1.768 9.697 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.691 2.675 7.785 1.00 0.00 C ATOM 0 H LEU A 52 21.759 -1.847 6.994 1.00 0.00 H new ATOM 0 HA LEU A 52 21.923 -0.993 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.717 -0.257 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.576 0.319 7.144 1.00 0.00 H new ATOM 0 HG LEU A 52 21.902 1.697 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.031 2.762 10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.040 1.016 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.905 1.649 9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.714 3.658 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.539 2.577 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.763 2.564 7.223 1.00 0.00 H new ATOM 780 N ALA A 53 19.988 0.645 9.839 1.00 0.00 N ATOM 781 CA ALA A 53 18.711 1.342 9.946 1.00 0.00 C ATOM 782 C ALA A 53 18.911 2.852 10.016 1.00 0.00 C ATOM 783 O ALA A 53 18.188 3.551 10.727 1.00 0.00 O ATOM 784 CB ALA A 53 17.943 0.854 11.163 1.00 0.00 C ATOM 0 H ALA A 53 20.595 0.749 10.652 1.00 0.00 H new ATOM 0 HA ALA A 53 18.131 1.120 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.992 1.383 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.757 -0.216 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.528 1.044 12.063 1.00 0.00 H new ATOM 790 N SER A 54 19.896 3.342 9.271 1.00 0.00 N ATOM 791 CA SER A 54 20.204 4.770 9.233 1.00 0.00 C ATOM 792 C SER A 54 20.687 5.278 10.591 1.00 0.00 C ATOM 793 O SER A 54 21.044 6.447 10.732 1.00 0.00 O ATOM 794 CB SER A 54 18.976 5.564 8.786 1.00 0.00 C ATOM 795 OG SER A 54 19.206 6.959 8.880 1.00 0.00 O ATOM 0 H SER A 54 20.499 2.768 8.681 1.00 0.00 H new ATOM 0 HA SER A 54 21.010 4.915 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.725 5.303 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.119 5.292 9.402 1.00 0.00 H new ATOM 0 HG SER A 54 19.966 7.126 9.476 1.00 0.00 H new ATOM 801 N GLY A 55 20.693 4.396 11.586 1.00 0.00 N ATOM 802 CA GLY A 55 21.134 4.783 12.914 1.00 0.00 C ATOM 803 C GLY A 55 21.807 3.647 13.658 1.00 0.00 C ATOM 804 O GLY A 55 22.434 3.863 14.696 1.00 0.00 O ATOM 0 H GLY A 55 20.401 3.423 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.827 5.621 12.833 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.277 5.133 13.490 1.00 0.00 H new ATOM 808 N LYS A 56 21.678 2.435 13.128 1.00 0.00 N ATOM 809 CA LYS A 56 22.279 1.261 13.750 1.00 0.00 C ATOM 810 C LYS A 56 22.441 0.132 12.738 1.00 0.00 C ATOM 811 O LYS A 56 21.462 -0.354 12.172 1.00 0.00 O ATOM 812 CB LYS A 56 21.424 0.786 14.927 1.00 0.00 C ATOM 813 CG LYS A 56 22.227 0.119 16.031 1.00 0.00 C ATOM 814 CD LYS A 56 21.441 0.054 17.331 1.00 0.00 C ATOM 815 CE LYS A 56 22.261 0.564 18.504 1.00 0.00 C ATOM 816 NZ LYS A 56 21.476 0.567 19.770 1.00 0.00 N ATOM 0 H LYS A 56 21.163 2.240 12.269 1.00 0.00 H new ATOM 0 HA LYS A 56 23.266 1.542 14.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.888 1.639 15.343 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.673 0.085 14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.505 -0.889 15.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.154 0.670 16.192 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.531 0.646 17.237 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.134 -0.974 17.520 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.146 -0.060 18.627 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.610 1.574 18.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.070 0.921 20.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.645 1.183 19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.164 -0.401 19.987 1.00 0.00 H new ATOM 830 N CYS A 57 23.685 -0.282 12.517 1.00 0.00 N ATOM 831 CA CYS A 57 23.979 -1.355 11.575 1.00 0.00 C ATOM 832 C CYS A 57 23.863 -2.715 12.254 1.00 0.00 C ATOM 833 O CYS A 57 24.073 -2.836 13.462 1.00 0.00 O ATOM 834 CB CYS A 57 25.382 -1.177 10.990 1.00 0.00 C ATOM 835 SG CYS A 57 26.153 -2.722 10.407 1.00 0.00 S ATOM 0 H CYS A 57 24.506 0.110 12.978 1.00 0.00 H new ATOM 0 HA CYS A 57 23.250 -1.310 10.766 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.330 -0.474 10.158 1.00 0.00 H new ATOM 0 HB3 CYS A 57 26.024 -0.727 11.747 1.00 0.00 H new ATOM 840 N SER A 58 23.526 -3.736 11.474 1.00 0.00 N ATOM 841 CA SER A 58 23.383 -5.088 12.001 1.00 0.00 C ATOM 842 C SER A 58 23.704 -6.125 10.931 1.00 0.00 C ATOM 843 O SER A 58 22.965 -6.276 9.959 1.00 0.00 O ATOM 844 CB SER A 58 21.965 -5.305 12.530 1.00 0.00 C ATOM 845 OG SER A 58 21.649 -4.370 13.546 1.00 0.00 O ATOM 0 H SER A 58 23.347 -3.653 10.473 1.00 0.00 H new ATOM 0 HA SER A 58 24.091 -5.208 12.821 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.251 -5.212 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.871 -6.318 12.922 1.00 0.00 H new ATOM 0 HG SER A 58 20.736 -4.530 13.865 1.00 0.00 H new ATOM 851 N LEU A 59 24.810 -6.838 11.117 1.00 0.00 N ATOM 852 CA LEU A 59 25.225 -7.862 10.167 1.00 0.00 C ATOM 853 C LEU A 59 24.790 -9.244 10.642 1.00 0.00 C ATOM 854 O LEU A 59 24.996 -9.605 11.801 1.00 0.00 O ATOM 855 CB LEU A 59 26.743 -7.827 9.962 1.00 0.00 C ATOM 856 CG LEU A 59 27.542 -7.149 11.079 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.894 -7.824 11.247 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.719 -5.668 10.789 1.00 0.00 C ATOM 0 H LEU A 59 25.434 -6.725 11.916 1.00 0.00 H new ATOM 0 HA LEU A 59 24.741 -7.654 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.101 -8.851 9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.954 -7.313 9.024 1.00 0.00 H new ATOM 0 HG LEU A 59 26.985 -7.250 12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.450 -7.331 12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.747 -8.874 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.455 -7.752 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.289 -5.205 11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.254 -5.543 9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.741 -5.192 10.717 1.00 0.00 H new ATOM 870 N PHE A 60 24.180 -10.009 9.743 1.00 0.00 N ATOM 871 CA PHE A 60 23.708 -11.349 10.071 1.00 0.00 C ATOM 872 C PHE A 60 24.401 -12.398 9.208 1.00 0.00 C ATOM 873 O PHE A 60 24.363 -12.330 7.979 1.00 0.00 O ATOM 874 CB PHE A 60 22.191 -11.436 9.888 1.00 0.00 C ATOM 875 CG PHE A 60 21.447 -10.276 10.488 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.259 -9.108 9.765 1.00 0.00 C ATOM 877 CD2 PHE A 60 20.941 -10.350 11.776 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.581 -8.037 10.315 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.263 -9.282 12.331 1.00 0.00 C ATOM 880 CZ PHE A 60 20.082 -8.124 11.600 1.00 0.00 C ATOM 0 H PHE A 60 24.001 -9.723 8.780 1.00 0.00 H new ATOM 0 HA PHE A 60 23.952 -11.549 11.114 1.00 0.00 H new ATOM 0 HB2 PHE A 60 21.964 -11.491 8.823 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.831 -12.361 10.339 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.647 -9.034 8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.078 -11.253 12.352 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.441 -7.133 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.875 -9.352 13.336 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.551 -7.288 12.032 1.00 0.00 H new ATOM 890 N ALA A 61 25.038 -13.366 9.862 1.00 0.00 N ATOM 891 CA ALA A 61 25.744 -14.430 9.159 1.00 0.00 C ATOM 892 C ALA A 61 24.786 -15.270 8.322 1.00 0.00 C ATOM 893 O ALA A 61 25.122 -15.698 7.218 1.00 0.00 O ATOM 894 CB ALA A 61 26.491 -15.309 10.151 1.00 0.00 C ATOM 0 H ALA A 61 25.079 -13.434 10.879 1.00 0.00 H new ATOM 0 HA ALA A 61 26.463 -13.969 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.014 -16.100 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.213 -14.705 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.782 -15.753 10.850 1.00 0.00 H new ATOM 900 N ASP A 62 23.593 -15.503 8.857 1.00 0.00 N ATOM 901 CA ASP A 62 22.584 -16.293 8.161 1.00 0.00 C ATOM 902 C ASP A 62 21.195 -16.032 8.734 1.00 0.00 C ATOM 903 O ASP A 62 21.058 -15.473 9.823 1.00 0.00 O ATOM 904 CB ASP A 62 22.917 -17.784 8.260 1.00 0.00 C ATOM 905 CG ASP A 62 22.328 -18.585 7.116 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.548 -18.204 5.948 1.00 0.00 O ATOM 907 OD2 ASP A 62 21.646 -19.597 7.389 1.00 0.00 O ATOM 0 H ASP A 62 23.301 -15.156 9.771 1.00 0.00 H new ATOM 0 HA ASP A 62 22.586 -15.995 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.999 -17.912 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.541 -18.175 9.205 1.00 0.00 H new ATOM 912 N ASP A 63 20.170 -16.440 7.995 1.00 0.00 N ATOM 913 CA ASP A 63 18.790 -16.251 8.429 1.00 0.00 C ATOM 914 C ASP A 63 18.402 -17.288 9.478 1.00 0.00 C ATOM 915 O ASP A 63 18.514 -18.492 9.246 1.00 0.00 O ATOM 916 CB ASP A 63 17.840 -16.338 7.233 1.00 0.00 C ATOM 917 CG ASP A 63 16.870 -15.175 7.178 1.00 0.00 C ATOM 918 OD1 ASP A 63 16.062 -15.031 8.119 1.00 0.00 O ATOM 919 OD2 ASP A 63 16.918 -14.408 6.193 1.00 0.00 O ATOM 0 H ASP A 63 20.268 -16.904 7.092 1.00 0.00 H new ATOM 0 HA ASP A 63 18.709 -15.260 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.422 -16.366 6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.280 -17.272 7.285 1.00 0.00 H new ATOM 924 N ALA A 64 17.946 -16.812 10.632 1.00 0.00 N ATOM 925 CA ALA A 64 17.541 -17.696 11.718 1.00 0.00 C ATOM 926 C ALA A 64 16.238 -17.224 12.354 1.00 0.00 C ATOM 927 O ALA A 64 15.412 -18.034 12.775 1.00 0.00 O ATOM 928 CB ALA A 64 18.640 -17.784 12.766 1.00 0.00 C ATOM 0 H ALA A 64 17.848 -15.818 10.839 1.00 0.00 H new ATOM 0 HA ALA A 64 17.372 -18.689 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.323 -18.448 13.571 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.548 -18.176 12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.837 -16.791 13.171 1.00 0.00 H new ATOM 934 N ALA A 65 16.060 -15.909 12.416 1.00 0.00 N ATOM 935 CA ALA A 65 14.859 -15.326 13.000 1.00 0.00 C ATOM 936 C ALA A 65 14.696 -13.869 12.580 1.00 0.00 C ATOM 937 O ALA A 65 13.684 -13.235 12.882 1.00 0.00 O ATOM 938 CB ALA A 65 14.899 -15.438 14.516 1.00 0.00 C ATOM 0 H ALA A 65 16.733 -15.226 12.068 1.00 0.00 H new ATOM 0 HA ALA A 65 13.999 -15.883 12.629 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.995 -14.998 14.937 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.959 -16.488 14.802 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.772 -14.908 14.897 1.00 0.00 H new ATOM 944 N LEU A 66 15.697 -13.343 11.881 1.00 0.00 N ATOM 945 CA LEU A 66 15.666 -11.961 11.419 1.00 0.00 C ATOM 946 C LEU A 66 14.577 -11.762 10.370 1.00 0.00 C ATOM 947 O LEU A 66 14.428 -12.573 9.455 1.00 0.00 O ATOM 948 CB LEU A 66 17.026 -11.563 10.841 1.00 0.00 C ATOM 949 CG LEU A 66 17.579 -12.514 9.779 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.683 -11.809 8.434 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.935 -13.058 10.204 1.00 0.00 C ATOM 0 H LEU A 66 16.541 -13.855 11.622 1.00 0.00 H new ATOM 0 HA LEU A 66 15.442 -11.324 12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.942 -10.567 10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.745 -11.496 11.657 1.00 0.00 H new ATOM 0 HG LEU A 66 16.890 -13.352 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.078 -12.501 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.695 -11.469 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.350 -10.952 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.313 -13.733 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.633 -12.232 10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.831 -13.600 11.144 1.00 0.00 H new ATOM 963 N ARG A 67 13.818 -10.680 10.509 1.00 0.00 N ATOM 964 CA ARG A 67 12.741 -10.374 9.574 1.00 0.00 C ATOM 965 C ARG A 67 12.497 -8.868 9.494 1.00 0.00 C ATOM 966 O ARG A 67 12.919 -8.114 10.371 1.00 0.00 O ATOM 967 CB ARG A 67 11.454 -11.085 9.993 1.00 0.00 C ATOM 968 CG ARG A 67 11.345 -12.509 9.475 1.00 0.00 C ATOM 969 CD ARG A 67 9.918 -12.849 9.076 1.00 0.00 C ATOM 970 NE ARG A 67 9.852 -14.057 8.257 1.00 0.00 N ATOM 971 CZ ARG A 67 8.974 -15.036 8.456 1.00 0.00 C ATOM 972 NH1 ARG A 67 8.092 -14.951 9.442 1.00 0.00 N ATOM 973 NH2 ARG A 67 8.979 -16.102 7.667 1.00 0.00 N ATOM 0 H ARG A 67 13.929 -10.000 11.261 1.00 0.00 H new ATOM 0 HA ARG A 67 13.042 -10.729 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.395 -11.098 11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.599 -10.511 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.004 -12.636 8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.684 -13.204 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.314 -12.985 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.487 -12.013 8.525 1.00 0.00 H new ATOM 0 HE ARG A 67 10.517 -14.155 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.085 -14.133 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.420 -15.704 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.656 -16.171 6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.306 -16.853 7.820 1.00 0.00 H new ATOM 987 N PRO A 68 11.807 -8.409 8.435 1.00 0.00 N ATOM 988 CA PRO A 68 11.504 -6.987 8.243 1.00 0.00 C ATOM 989 C PRO A 68 10.438 -6.487 9.213 1.00 0.00 C ATOM 990 O PRO A 68 9.978 -7.229 10.082 1.00 0.00 O ATOM 991 CB PRO A 68 10.986 -6.930 6.806 1.00 0.00 C ATOM 992 CG PRO A 68 10.408 -8.281 6.564 1.00 0.00 C ATOM 993 CD PRO A 68 11.263 -9.241 7.345 1.00 0.00 C ATOM 0 HA PRO A 68 12.373 -6.355 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.235 -6.150 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.789 -6.710 6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.370 -8.326 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.417 -8.525 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.679 -10.076 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.056 -9.665 6.729 1.00 0.00 H new ATOM 1001 N THR A 69 10.049 -5.225 9.056 1.00 0.00 N ATOM 1002 CA THR A 69 9.035 -4.625 9.916 1.00 0.00 C ATOM 1003 C THR A 69 8.544 -3.301 9.343 1.00 0.00 C ATOM 1004 O THR A 69 7.345 -3.018 9.342 1.00 0.00 O ATOM 1005 CB THR A 69 9.571 -4.388 11.341 1.00 0.00 C ATOM 1006 OG1 THR A 69 8.645 -3.589 12.087 1.00 0.00 O ATOM 1007 CG2 THR A 69 10.927 -3.698 11.304 1.00 0.00 C ATOM 0 H THR A 69 10.421 -4.599 8.342 1.00 0.00 H new ATOM 0 HA THR A 69 8.204 -5.329 9.963 1.00 0.00 H new ATOM 0 HB THR A 69 9.688 -5.357 11.825 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.993 -3.444 12.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.284 -3.542 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.638 -4.322 10.762 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.832 -2.735 10.801 1.00 0.00 H new ATOM 1015 N LYS A 70 9.480 -2.494 8.857 1.00 0.00 N ATOM 1016 CA LYS A 70 9.149 -1.196 8.280 1.00 0.00 C ATOM 1017 C LYS A 70 10.314 -0.659 7.454 1.00 0.00 C ATOM 1018 O LYS A 70 11.244 -1.394 7.123 1.00 0.00 O ATOM 1019 CB LYS A 70 8.792 -0.203 9.386 1.00 0.00 C ATOM 1020 CG LYS A 70 7.552 0.622 9.085 1.00 0.00 C ATOM 1021 CD LYS A 70 7.321 1.681 10.148 1.00 0.00 C ATOM 1022 CE LYS A 70 6.984 3.029 9.530 1.00 0.00 C ATOM 1023 NZ LYS A 70 8.195 3.873 9.344 1.00 0.00 N ATOM 0 H LYS A 70 10.476 -2.716 8.851 1.00 0.00 H new ATOM 0 HA LYS A 70 8.288 -1.323 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.638 -0.749 10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.635 0.469 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.658 1.099 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.683 -0.033 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.509 1.368 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.213 1.777 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.497 2.875 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.271 3.552 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.922 4.783 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.646 4.041 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.865 3.385 8.715 1.00 0.00 H new ATOM 1037 N SER A 71 10.255 0.628 7.124 1.00 0.00 N ATOM 1038 CA SER A 71 11.306 1.264 6.338 1.00 0.00 C ATOM 1039 C SER A 71 12.189 2.139 7.220 1.00 0.00 C ATOM 1040 O SER A 71 13.309 1.762 7.564 1.00 0.00 O ATOM 1041 CB SER A 71 10.694 2.103 5.215 1.00 0.00 C ATOM 1042 OG SER A 71 9.530 1.488 4.693 1.00 0.00 O ATOM 0 H SER A 71 9.491 1.250 7.389 1.00 0.00 H new ATOM 0 HA SER A 71 11.924 0.480 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.446 3.095 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.426 2.238 4.418 1.00 0.00 H new ATOM 0 HG SER A 71 9.158 2.046 3.978 1.00 0.00 H new ATOM 1048 N ASP A 72 11.672 3.306 7.586 1.00 0.00 N ATOM 1049 CA ASP A 72 12.402 4.243 8.431 1.00 0.00 C ATOM 1050 C ASP A 72 13.783 4.544 7.850 1.00 0.00 C ATOM 1051 O ASP A 72 14.738 4.802 8.584 1.00 0.00 O ATOM 1052 CB ASP A 72 12.532 3.676 9.845 1.00 0.00 C ATOM 1053 CG ASP A 72 13.121 4.673 10.825 1.00 0.00 C ATOM 1054 OD1 ASP A 72 12.757 5.865 10.749 1.00 0.00 O ATOM 1055 OD2 ASP A 72 13.947 4.261 11.666 1.00 0.00 O ATOM 0 H ASP A 72 10.744 3.627 7.309 1.00 0.00 H new ATOM 0 HA ASP A 72 11.843 5.178 8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.549 3.363 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.160 2.785 9.818 1.00 0.00 H new ATOM 1060 N GLY A 73 13.880 4.511 6.524 1.00 0.00 N ATOM 1061 CA GLY A 73 15.143 4.783 5.863 1.00 0.00 C ATOM 1062 C GLY A 73 16.198 3.738 6.167 1.00 0.00 C ATOM 1063 O GLY A 73 17.385 4.054 6.260 1.00 0.00 O ATOM 0 H GLY A 73 13.105 4.300 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.982 4.829 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.507 5.762 6.173 1.00 0.00 H new ATOM 1067 N ALA A 74 15.767 2.491 6.319 1.00 0.00 N ATOM 1068 CA ALA A 74 16.683 1.395 6.613 1.00 0.00 C ATOM 1069 C ALA A 74 17.408 0.939 5.351 1.00 0.00 C ATOM 1070 O ALA A 74 17.300 1.569 4.298 1.00 0.00 O ATOM 1071 CB ALA A 74 15.932 0.232 7.243 1.00 0.00 C ATOM 0 H ALA A 74 14.788 2.214 6.243 1.00 0.00 H new ATOM 0 HA ALA A 74 17.429 1.755 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.629 -0.578 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.463 0.561 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.165 -0.122 6.554 1.00 0.00 H new ATOM 1077 N VAL A 75 18.149 -0.160 5.464 1.00 0.00 N ATOM 1078 CA VAL A 75 18.893 -0.702 4.333 1.00 0.00 C ATOM 1079 C VAL A 75 19.454 -2.084 4.656 1.00 0.00 C ATOM 1080 O VAL A 75 19.850 -2.355 5.789 1.00 0.00 O ATOM 1081 CB VAL A 75 20.049 0.232 3.922 1.00 0.00 C ATOM 1082 CG1 VAL A 75 21.057 0.370 5.054 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.724 -0.274 2.656 1.00 0.00 C ATOM 0 H VAL A 75 18.250 -0.692 6.328 1.00 0.00 H new ATOM 0 HA VAL A 75 18.193 -0.785 3.502 1.00 0.00 H new ATOM 0 HB VAL A 75 19.634 1.219 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.864 1.033 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.563 0.786 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.466 -0.610 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.537 0.399 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 75 21.123 -1.273 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.996 -0.311 1.846 1.00 0.00 H new ATOM 1093 N SER A 76 19.484 -2.954 3.651 1.00 0.00 N ATOM 1094 CA SER A 76 19.995 -4.309 3.826 1.00 0.00 C ATOM 1095 C SER A 76 20.497 -4.874 2.502 1.00 0.00 C ATOM 1096 O SER A 76 19.839 -4.742 1.470 1.00 0.00 O ATOM 1097 CB SER A 76 18.907 -5.218 4.402 1.00 0.00 C ATOM 1098 OG SER A 76 17.615 -4.733 4.082 1.00 0.00 O ATOM 0 H SER A 76 19.160 -2.745 2.707 1.00 0.00 H new ATOM 0 HA SER A 76 20.831 -4.268 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.027 -6.228 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.017 -5.281 5.485 1.00 0.00 H new ATOM 0 HG SER A 76 17.220 -4.309 4.872 1.00 0.00 H new ATOM 1104 N GLY A 77 21.669 -5.503 2.537 1.00 0.00 N ATOM 1105 CA GLY A 77 22.239 -6.077 1.332 1.00 0.00 C ATOM 1106 C GLY A 77 22.918 -7.408 1.586 1.00 0.00 C ATOM 1107 O GLY A 77 23.080 -7.821 2.734 1.00 0.00 O ATOM 0 H GLY A 77 22.233 -5.625 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.452 -6.211 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.962 -5.380 0.908 1.00 0.00 H new