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= -0.0213 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 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 180:sc= 0.0547 USER MOD Single : A 35 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.3) USER MOD Single : A 38 GLN : amide:sc= -0.174 X(o=-0.17,f=0) 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 4:sc= 0.307 USER MOD Single : A 54 SER OG : rot -18:sc= 0.814 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 76:sc= -0.219 USER MOD Single : A 69 THR OG1 : rot -39:sc= 1.04 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 180:sc= 0.0124 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 14.409 -2.723 4.700 1.00 0.00 N ATOM 269 CA VAL A 18 13.971 -2.278 6.021 1.00 0.00 C ATOM 270 C VAL A 18 14.769 -2.962 7.129 1.00 0.00 C ATOM 271 O VAL A 18 15.354 -4.026 6.922 1.00 0.00 O ATOM 272 CB VAL A 18 12.468 -2.548 6.236 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.969 -1.854 7.494 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.665 -2.103 5.023 1.00 0.00 C ATOM 0 HA VAL A 18 14.148 -1.203 6.066 1.00 0.00 H new ATOM 0 HB VAL A 18 12.330 -3.622 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.906 -2.059 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.520 -2.226 8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.123 -0.779 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.607 -2.302 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.812 -1.035 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.000 -2.653 4.143 1.00 0.00 H new ATOM 284 N SER A 19 14.788 -2.344 8.307 1.00 0.00 N ATOM 285 CA SER A 19 15.511 -2.891 9.449 1.00 0.00 C ATOM 286 C SER A 19 15.060 -4.319 9.738 1.00 0.00 C ATOM 287 O SER A 19 13.936 -4.701 9.411 1.00 0.00 O ATOM 288 CB SER A 19 15.297 -2.016 10.684 1.00 0.00 C ATOM 289 OG SER A 19 15.627 -2.716 11.871 1.00 0.00 O ATOM 0 H SER A 19 14.310 -1.463 8.495 1.00 0.00 H new ATOM 0 HA SER A 19 16.573 -2.904 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.909 -1.117 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.257 -1.691 10.727 1.00 0.00 H new ATOM 0 HG SER A 19 15.483 -2.133 12.645 1.00 0.00 H new ATOM 295 N PHE A 20 15.942 -5.103 10.347 1.00 0.00 N ATOM 296 CA PHE A 20 15.628 -6.489 10.671 1.00 0.00 C ATOM 297 C PHE A 20 15.483 -6.686 12.175 1.00 0.00 C ATOM 298 O PHE A 20 16.044 -5.928 12.969 1.00 0.00 O ATOM 299 CB PHE A 20 16.706 -7.420 10.119 1.00 0.00 C ATOM 300 CG PHE A 20 16.426 -7.894 8.721 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.137 -8.230 8.334 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.450 -8.006 7.795 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.876 -8.665 7.051 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.195 -8.441 6.509 1.00 0.00 C ATOM 305 CZ PHE A 20 15.906 -8.773 6.136 1.00 0.00 C ATOM 0 H PHE A 20 16.877 -4.804 10.625 1.00 0.00 H new ATOM 0 HA PHE A 20 14.674 -6.734 10.205 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.665 -6.902 10.134 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.800 -8.285 10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.328 -8.150 9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.459 -7.750 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.867 -8.921 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.002 -8.522 5.796 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.704 -9.116 5.132 1.00 0.00 H new ATOM 315 N THR A 21 14.725 -7.709 12.557 1.00 0.00 N ATOM 316 CA THR A 21 14.498 -8.012 13.966 1.00 0.00 C ATOM 317 C THR A 21 14.310 -9.508 14.182 1.00 0.00 C ATOM 318 O THR A 21 14.042 -10.253 13.240 1.00 0.00 O ATOM 319 CB THR A 21 13.261 -7.272 14.509 1.00 0.00 C ATOM 320 OG1 THR A 21 12.159 -7.430 13.607 1.00 0.00 O ATOM 321 CG2 THR A 21 13.555 -5.792 14.700 1.00 0.00 C ATOM 0 H THR A 21 14.257 -8.343 11.910 1.00 0.00 H new ATOM 0 HA THR A 21 15.382 -7.675 14.507 1.00 0.00 H new ATOM 0 HB THR A 21 13.004 -7.704 15.476 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.376 -6.958 13.961 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.666 -5.291 15.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.374 -5.672 15.409 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.836 -5.350 13.744 1.00 0.00 H new ATOM 329 N GLY A 22 14.451 -9.942 15.431 1.00 0.00 N ATOM 330 CA GLY A 22 14.291 -11.348 15.751 1.00 0.00 C ATOM 331 C GLY A 22 15.521 -12.166 15.408 1.00 0.00 C ATOM 332 O GLY A 22 15.817 -13.162 16.070 1.00 0.00 O ATOM 0 H GLY A 22 14.673 -9.344 16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.074 -11.453 16.814 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.432 -11.745 15.210 1.00 0.00 H new ATOM 336 N GLY A 23 16.240 -11.746 14.371 1.00 0.00 N ATOM 337 CA GLY A 23 17.436 -12.457 13.961 1.00 0.00 C ATOM 338 C GLY A 23 18.551 -12.347 14.980 1.00 0.00 C ATOM 339 O GLY A 23 18.564 -11.429 15.801 1.00 0.00 O ATOM 0 H GLY A 23 16.015 -10.926 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.194 -13.508 13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.781 -12.062 13.005 1.00 0.00 H new ATOM 343 N LYS A 24 19.489 -13.285 14.926 1.00 0.00 N ATOM 344 CA LYS A 24 20.615 -13.296 15.849 1.00 0.00 C ATOM 345 C LYS A 24 21.794 -12.514 15.281 1.00 0.00 C ATOM 346 O LYS A 24 22.776 -13.100 14.821 1.00 0.00 O ATOM 347 CB LYS A 24 21.034 -14.735 16.147 1.00 0.00 C ATOM 348 CG LYS A 24 20.175 -15.412 17.201 1.00 0.00 C ATOM 349 CD LYS A 24 18.979 -16.112 16.579 1.00 0.00 C ATOM 350 CE LYS A 24 18.006 -16.603 17.640 1.00 0.00 C ATOM 351 NZ LYS A 24 17.105 -17.667 17.117 1.00 0.00 N ATOM 0 H LYS A 24 19.491 -14.049 14.251 1.00 0.00 H new ATOM 0 HA LYS A 24 20.302 -12.815 16.776 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.989 -15.316 15.226 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.073 -14.741 16.478 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.776 -16.136 17.751 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.830 -14.671 17.922 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.467 -15.427 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.321 -16.956 15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.564 -16.987 18.494 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.408 -15.766 18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.457 -17.975 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.554 -17.294 16.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.673 -18.477 16.797 1.00 0.00 H new ATOM 365 N ALA A 25 21.693 -11.188 15.318 1.00 0.00 N ATOM 366 CA ALA A 25 22.754 -10.327 14.808 1.00 0.00 C ATOM 367 C ALA A 25 24.089 -10.662 15.462 1.00 0.00 C ATOM 368 O ALA A 25 24.297 -10.390 16.644 1.00 0.00 O ATOM 369 CB ALA A 25 22.404 -8.864 15.039 1.00 0.00 C ATOM 0 H ALA A 25 20.888 -10.688 15.695 1.00 0.00 H new ATOM 0 HA ALA A 25 22.848 -10.501 13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.205 -8.233 14.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.474 -8.626 14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.282 -8.683 16.107 1.00 0.00 H new ATOM 375 N ILE A 26 24.992 -11.251 14.684 1.00 0.00 N ATOM 376 CA ILE A 26 26.309 -11.621 15.190 1.00 0.00 C ATOM 377 C ILE A 26 27.079 -10.384 15.634 1.00 0.00 C ATOM 378 O ILE A 26 28.031 -10.473 16.409 1.00 0.00 O ATOM 379 CB ILE A 26 27.134 -12.376 14.129 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.403 -11.477 12.920 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.412 -13.645 13.702 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.851 -11.062 12.785 1.00 0.00 C ATOM 0 H ILE A 26 24.836 -11.482 13.703 1.00 0.00 H new ATOM 0 HA ILE A 26 26.151 -12.281 16.043 1.00 0.00 H new ATOM 0 HB ILE A 26 28.092 -12.655 14.568 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.098 -12.000 12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.783 -10.584 12.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.007 -14.167 12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.270 -14.292 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.441 -13.387 13.279 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.967 -10.427 11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.156 -10.511 13.675 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.475 -11.949 12.676 1.00 0.00 H new ATOM 394 N SER A 27 26.651 -9.230 15.134 1.00 0.00 N ATOM 395 CA SER A 27 27.282 -7.961 15.466 1.00 0.00 C ATOM 396 C SER A 27 26.465 -6.804 14.918 1.00 0.00 C ATOM 397 O SER A 27 25.788 -6.937 13.899 1.00 0.00 O ATOM 398 CB SER A 27 28.704 -7.910 14.912 1.00 0.00 C ATOM 399 OG SER A 27 29.500 -6.979 15.626 1.00 0.00 O ATOM 0 H SER A 27 25.863 -9.149 14.492 1.00 0.00 H new ATOM 0 HA SER A 27 27.328 -7.874 16.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.156 -8.900 14.972 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.677 -7.635 13.858 1.00 0.00 H new ATOM 0 HG SER A 27 30.406 -6.968 15.252 1.00 0.00 H new ATOM 405 N GLU A 28 26.524 -5.674 15.605 1.00 0.00 N ATOM 406 CA GLU A 28 25.780 -4.494 15.191 1.00 0.00 C ATOM 407 C GLU A 28 26.617 -3.236 15.374 1.00 0.00 C ATOM 408 O GLU A 28 27.314 -3.080 16.377 1.00 0.00 O ATOM 409 CB GLU A 28 24.485 -4.375 15.994 1.00 0.00 C ATOM 410 CG GLU A 28 24.075 -5.662 16.695 1.00 0.00 C ATOM 411 CD GLU A 28 23.646 -5.434 18.130 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.401 -4.778 18.878 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.556 -5.912 18.508 1.00 0.00 O ATOM 0 H GLU A 28 27.079 -5.549 16.452 1.00 0.00 H new ATOM 0 HA GLU A 28 25.537 -4.600 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.602 -3.588 16.739 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.682 -4.065 15.326 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.257 -6.126 16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.909 -6.363 16.676 1.00 0.00 H new ATOM 420 N ALA A 29 26.539 -2.340 14.400 1.00 0.00 N ATOM 421 CA ALA A 29 27.287 -1.090 14.451 1.00 0.00 C ATOM 422 C ALA A 29 26.356 0.097 14.676 1.00 0.00 C ATOM 423 O ALA A 29 25.133 -0.048 14.658 1.00 0.00 O ATOM 424 CB ALA A 29 28.085 -0.901 13.169 1.00 0.00 C ATOM 0 H ALA A 29 25.965 -2.455 13.564 1.00 0.00 H new ATOM 0 HA ALA A 29 27.978 -1.142 15.293 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.639 0.036 13.220 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.783 -1.729 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.405 -0.874 12.318 1.00 0.00 H new ATOM 430 N LYS A 30 26.943 1.270 14.886 1.00 0.00 N ATOM 431 CA LYS A 30 26.170 2.485 15.112 1.00 0.00 C ATOM 432 C LYS A 30 26.526 3.544 14.074 1.00 0.00 C ATOM 433 O LYS A 30 27.220 4.516 14.374 1.00 0.00 O ATOM 434 CB LYS A 30 26.422 3.024 16.521 1.00 0.00 C ATOM 435 CG LYS A 30 25.222 2.894 17.446 1.00 0.00 C ATOM 436 CD LYS A 30 25.568 2.107 18.699 1.00 0.00 C ATOM 437 CE LYS A 30 24.849 2.659 19.919 1.00 0.00 C ATOM 438 NZ LYS A 30 24.715 1.640 20.995 1.00 0.00 N ATOM 0 H LYS A 30 27.954 1.405 14.904 1.00 0.00 H new ATOM 0 HA LYS A 30 25.112 2.242 15.015 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.267 2.492 16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.706 4.074 16.454 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.867 3.886 17.725 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.406 2.400 16.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.298 1.060 18.559 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.645 2.139 18.864 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.395 3.521 20.302 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.859 3.011 19.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.219 2.057 21.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.172 0.828 20.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.660 1.322 21.291 1.00 0.00 H new ATOM 452 N ALA A 31 26.052 3.344 12.849 1.00 0.00 N ATOM 453 CA ALA A 31 26.324 4.274 11.761 1.00 0.00 C ATOM 454 C ALA A 31 25.035 4.808 11.149 1.00 0.00 C ATOM 455 O ALA A 31 23.964 4.229 11.326 1.00 0.00 O ATOM 456 CB ALA A 31 27.168 3.593 10.695 1.00 0.00 C ATOM 0 H ALA A 31 25.477 2.544 12.585 1.00 0.00 H new ATOM 0 HA ALA A 31 26.874 5.121 12.171 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.367 4.295 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.112 3.266 11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.631 2.729 10.303 1.00 0.00 H new ATOM 462 N ALA A 32 25.150 5.915 10.420 1.00 0.00 N ATOM 463 CA ALA A 32 23.998 6.528 9.772 1.00 0.00 C ATOM 464 C ALA A 32 23.919 6.108 8.308 1.00 0.00 C ATOM 465 O ALA A 32 22.885 6.270 7.658 1.00 0.00 O ATOM 466 CB ALA A 32 24.071 8.043 9.886 1.00 0.00 C ATOM 0 H ALA A 32 26.031 6.405 10.264 1.00 0.00 H new ATOM 0 HA ALA A 32 23.095 6.184 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.204 8.487 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.081 8.329 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.981 8.401 9.405 1.00 0.00 H new ATOM 472 N SER A 33 25.020 5.567 7.799 1.00 0.00 N ATOM 473 CA SER A 33 25.086 5.116 6.414 1.00 0.00 C ATOM 474 C SER A 33 25.660 3.706 6.332 1.00 0.00 C ATOM 475 O SER A 33 26.621 3.377 7.027 1.00 0.00 O ATOM 476 CB SER A 33 25.941 6.076 5.582 1.00 0.00 C ATOM 477 OG SER A 33 25.697 7.423 5.948 1.00 0.00 O ATOM 0 H SER A 33 25.882 5.430 8.327 1.00 0.00 H new ATOM 0 HA SER A 33 24.073 5.103 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.996 5.843 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.722 5.938 4.523 1.00 0.00 H new ATOM 0 HG SER A 33 26.256 8.016 5.404 1.00 0.00 H new ATOM 483 N SER A 34 25.062 2.877 5.481 1.00 0.00 N ATOM 484 CA SER A 34 25.509 1.500 5.310 1.00 0.00 C ATOM 485 C SER A 34 26.995 1.443 4.978 1.00 0.00 C ATOM 486 O SER A 34 27.664 0.449 5.257 1.00 0.00 O ATOM 487 CB SER A 34 24.711 0.816 4.204 1.00 0.00 C ATOM 488 OG SER A 34 23.380 1.301 4.159 1.00 0.00 O ATOM 0 H SER A 34 24.266 3.136 4.899 1.00 0.00 H new ATOM 0 HA SER A 34 25.343 0.977 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.196 0.987 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.703 -0.261 4.370 1.00 0.00 H new ATOM 0 HG SER A 34 22.891 0.848 3.441 1.00 0.00 H new ATOM 494 N GLN A 35 27.503 2.515 4.379 1.00 0.00 N ATOM 495 CA GLN A 35 28.910 2.592 4.007 1.00 0.00 C ATOM 496 C GLN A 35 29.798 2.230 5.194 1.00 0.00 C ATOM 497 O GLN A 35 30.679 1.377 5.087 1.00 0.00 O ATOM 498 CB GLN A 35 29.239 3.997 3.492 1.00 0.00 C ATOM 499 CG GLN A 35 30.648 4.469 3.820 1.00 0.00 C ATOM 500 CD GLN A 35 31.709 3.727 3.032 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.895 3.967 1.839 1.00 0.00 O ATOM 502 NE2 GLN A 35 32.414 2.819 3.697 1.00 0.00 N ATOM 0 H GLN A 35 26.959 3.344 4.141 1.00 0.00 H new ATOM 0 HA GLN A 35 29.103 1.875 3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.104 4.016 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.524 4.703 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 35 30.727 5.536 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 35 30.833 4.336 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.227 2.652 4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 35 33.143 2.289 3.219 1.00 0.00 H new ATOM 511 N ALA A 36 29.548 2.875 6.325 1.00 0.00 N ATOM 512 CA ALA A 36 30.314 2.613 7.537 1.00 0.00 C ATOM 513 C ALA A 36 30.101 1.177 7.998 1.00 0.00 C ATOM 514 O ALA A 36 31.008 0.546 8.541 1.00 0.00 O ATOM 515 CB ALA A 36 29.921 3.590 8.635 1.00 0.00 C ATOM 0 H ALA A 36 28.821 3.583 6.429 1.00 0.00 H new ATOM 0 HA ALA A 36 31.372 2.751 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.502 3.381 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.120 4.609 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.859 3.481 8.856 1.00 0.00 H new ATOM 521 N CYS A 37 28.897 0.666 7.764 1.00 0.00 N ATOM 522 CA CYS A 37 28.555 -0.697 8.138 1.00 0.00 C ATOM 523 C CYS A 37 29.236 -1.689 7.203 1.00 0.00 C ATOM 524 O CYS A 37 29.401 -2.861 7.537 1.00 0.00 O ATOM 525 CB CYS A 37 27.039 -0.888 8.092 1.00 0.00 C ATOM 526 SG CYS A 37 26.089 0.575 8.615 1.00 0.00 S ATOM 0 H CYS A 37 28.140 1.180 7.314 1.00 0.00 H new ATOM 0 HA CYS A 37 28.904 -0.879 9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.748 -1.153 7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.770 -1.730 8.730 1.00 0.00 H new ATOM 531 N GLN A 38 29.636 -1.203 6.032 1.00 0.00 N ATOM 532 CA GLN A 38 30.308 -2.038 5.044 1.00 0.00 C ATOM 533 C GLN A 38 31.753 -2.289 5.459 1.00 0.00 C ATOM 534 O GLN A 38 32.232 -3.423 5.424 1.00 0.00 O ATOM 535 CB GLN A 38 30.265 -1.376 3.666 1.00 0.00 C ATOM 536 CG GLN A 38 28.899 -1.441 3.004 1.00 0.00 C ATOM 537 CD GLN A 38 28.792 -2.569 1.997 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.748 -2.337 0.788 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.748 -3.801 2.491 1.00 0.00 N ATOM 0 H GLN A 38 29.506 -0.233 5.744 1.00 0.00 H new ATOM 0 HA GLN A 38 29.787 -2.994 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.563 -0.332 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.997 -1.857 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.134 -1.569 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.696 -0.493 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.787 -3.948 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.675 -4.600 1.862 1.00 0.00 H new ATOM 548 N GLU A 39 32.440 -1.224 5.861 1.00 0.00 N ATOM 549 CA GLU A 39 33.827 -1.333 6.295 1.00 0.00 C ATOM 550 C GLU A 39 33.911 -2.126 7.592 1.00 0.00 C ATOM 551 O GLU A 39 34.845 -2.901 7.804 1.00 0.00 O ATOM 552 CB GLU A 39 34.437 0.056 6.487 1.00 0.00 C ATOM 553 CG GLU A 39 35.029 0.642 5.215 1.00 0.00 C ATOM 554 CD GLU A 39 36.338 -0.015 4.824 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.303 -1.015 4.078 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.401 0.473 5.266 1.00 0.00 O ATOM 0 H GLU A 39 32.059 -0.278 5.895 1.00 0.00 H new ATOM 0 HA GLU A 39 34.391 -1.857 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.670 0.731 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.216 -0.000 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.313 0.530 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.190 1.711 5.353 1.00 0.00 H new ATOM 563 N LEU A 40 32.916 -1.933 8.452 1.00 0.00 N ATOM 564 CA LEU A 40 32.855 -2.632 9.727 1.00 0.00 C ATOM 565 C LEU A 40 32.627 -4.123 9.496 1.00 0.00 C ATOM 566 O LEU A 40 33.365 -4.966 10.008 1.00 0.00 O ATOM 567 CB LEU A 40 31.728 -2.039 10.590 1.00 0.00 C ATOM 568 CG LEU A 40 31.376 -2.803 11.876 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.293 -3.836 11.606 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.606 -3.462 12.482 1.00 0.00 C ATOM 0 H LEU A 40 32.138 -1.295 8.286 1.00 0.00 H new ATOM 0 HA LEU A 40 33.802 -2.507 10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.007 -1.021 10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.829 -1.970 9.977 1.00 0.00 H new ATOM 0 HG LEU A 40 30.994 -2.082 12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.058 -4.366 12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.398 -3.336 11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.646 -4.547 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.323 -3.994 13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.032 -4.166 11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.346 -2.699 12.724 1.00 0.00 H new ATOM 582 N CYS A 41 31.603 -4.436 8.714 1.00 0.00 N ATOM 583 CA CYS A 41 31.266 -5.819 8.398 1.00 0.00 C ATOM 584 C CYS A 41 32.447 -6.532 7.744 1.00 0.00 C ATOM 585 O CYS A 41 32.600 -7.746 7.874 1.00 0.00 O ATOM 586 CB CYS A 41 30.054 -5.852 7.469 1.00 0.00 C ATOM 587 SG CYS A 41 28.877 -7.198 7.816 1.00 0.00 S ATOM 0 H CYS A 41 30.987 -3.746 8.284 1.00 0.00 H new ATOM 0 HA CYS A 41 31.027 -6.339 9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.530 -4.899 7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.402 -5.946 6.440 1.00 0.00 H new ATOM 592 N GLU A 42 33.276 -5.768 7.038 1.00 0.00 N ATOM 593 CA GLU A 42 34.442 -6.327 6.361 1.00 0.00 C ATOM 594 C GLU A 42 35.473 -6.833 7.365 1.00 0.00 C ATOM 595 O GLU A 42 36.150 -7.833 7.122 1.00 0.00 O ATOM 596 CB GLU A 42 35.077 -5.277 5.447 1.00 0.00 C ATOM 597 CG GLU A 42 34.820 -5.521 3.969 1.00 0.00 C ATOM 598 CD GLU A 42 35.948 -6.278 3.298 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.986 -5.652 2.995 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.795 -7.498 3.075 1.00 0.00 O ATOM 0 H GLU A 42 33.162 -4.761 6.920 1.00 0.00 H new ATOM 0 HA GLU A 42 34.107 -7.172 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.693 -4.293 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.153 -5.258 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.892 -6.081 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.680 -4.564 3.466 1.00 0.00 H new ATOM 607 N LYS A 43 35.589 -6.137 8.491 1.00 0.00 N ATOM 608 CA LYS A 43 36.542 -6.517 9.529 1.00 0.00 C ATOM 609 C LYS A 43 36.033 -7.715 10.327 1.00 0.00 C ATOM 610 O LYS A 43 36.770 -8.303 11.120 1.00 0.00 O ATOM 611 CB LYS A 43 36.813 -5.330 10.462 1.00 0.00 C ATOM 612 CG LYS A 43 35.891 -5.268 11.670 1.00 0.00 C ATOM 613 CD LYS A 43 36.592 -5.757 12.927 1.00 0.00 C ATOM 614 CE LYS A 43 36.972 -4.602 13.839 1.00 0.00 C ATOM 615 NZ LYS A 43 38.444 -4.515 14.042 1.00 0.00 N ATOM 0 H LYS A 43 35.036 -5.308 8.708 1.00 0.00 H new ATOM 0 HA LYS A 43 37.475 -6.805 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.845 -5.382 10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.713 -4.405 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.549 -4.243 11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.005 -5.876 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.940 -6.446 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.487 -6.314 12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.609 -3.667 13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.479 -4.724 14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.661 -3.715 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.788 -5.397 14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.913 -4.373 13.125 1.00 0.00 H new ATOM 629 N ASP A 44 34.771 -8.073 10.112 1.00 0.00 N ATOM 630 CA ASP A 44 34.167 -9.201 10.811 1.00 0.00 C ATOM 631 C ASP A 44 34.197 -10.458 9.948 1.00 0.00 C ATOM 632 O ASP A 44 34.086 -10.385 8.724 1.00 0.00 O ATOM 633 CB ASP A 44 32.725 -8.872 11.203 1.00 0.00 C ATOM 634 CG ASP A 44 32.280 -9.612 12.448 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.035 -10.834 12.357 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.177 -8.972 13.515 1.00 0.00 O ATOM 0 H ASP A 44 34.147 -7.598 9.459 1.00 0.00 H new ATOM 0 HA ASP A 44 34.749 -9.389 11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.633 -7.799 11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.060 -9.125 10.377 1.00 0.00 H new ATOM 641 N ALA A 45 34.347 -11.611 10.593 1.00 0.00 N ATOM 642 CA ALA A 45 34.391 -12.885 9.886 1.00 0.00 C ATOM 643 C ALA A 45 33.020 -13.551 9.869 1.00 0.00 C ATOM 644 O ALA A 45 32.653 -14.215 8.899 1.00 0.00 O ATOM 645 CB ALA A 45 35.421 -13.806 10.523 1.00 0.00 C ATOM 0 H ALA A 45 34.440 -11.688 11.606 1.00 0.00 H new ATOM 0 HA ALA A 45 34.683 -12.690 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.443 -14.754 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.405 -13.339 10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.154 -13.986 11.564 1.00 0.00 H new ATOM 651 N LYS A 46 32.267 -13.369 10.949 1.00 0.00 N ATOM 652 CA LYS A 46 30.934 -13.950 11.062 1.00 0.00 C ATOM 653 C LYS A 46 29.901 -13.078 10.357 1.00 0.00 C ATOM 654 O LYS A 46 28.698 -13.319 10.456 1.00 0.00 O ATOM 655 CB LYS A 46 30.553 -14.125 12.533 1.00 0.00 C ATOM 656 CG LYS A 46 31.147 -15.370 13.172 1.00 0.00 C ATOM 657 CD LYS A 46 30.250 -15.911 14.272 1.00 0.00 C ATOM 658 CE LYS A 46 30.689 -15.417 15.642 1.00 0.00 C ATOM 659 NZ LYS A 46 29.954 -16.101 16.742 1.00 0.00 N ATOM 0 H LYS A 46 32.558 -12.823 11.760 1.00 0.00 H new ATOM 0 HA LYS A 46 30.948 -14.928 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 30.881 -13.248 13.091 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.467 -14.167 12.616 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.294 -16.136 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.129 -15.136 13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.220 -15.605 14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.267 -17.001 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.759 -15.584 15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.525 -14.342 15.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.283 -15.736 17.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 28.935 -15.921 16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 30.131 -17.125 16.694 1.00 0.00 H new ATOM 673 N CYS A 47 30.380 -12.063 9.645 1.00 0.00 N ATOM 674 CA CYS A 47 29.500 -11.153 8.923 1.00 0.00 C ATOM 675 C CYS A 47 29.250 -11.650 7.503 1.00 0.00 C ATOM 676 O CYS A 47 30.125 -12.252 6.880 1.00 0.00 O ATOM 677 CB CYS A 47 30.108 -9.748 8.889 1.00 0.00 C ATOM 678 SG CYS A 47 29.892 -8.877 7.304 1.00 0.00 S ATOM 0 H CYS A 47 31.373 -11.850 9.553 1.00 0.00 H new ATOM 0 HA CYS A 47 28.544 -11.116 9.446 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.659 -9.151 9.683 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.173 -9.820 9.108 1.00 0.00 H new ATOM 683 N ARG A 48 28.047 -11.393 6.995 1.00 0.00 N ATOM 684 CA ARG A 48 27.679 -11.813 5.648 1.00 0.00 C ATOM 685 C ARG A 48 26.588 -10.912 5.077 1.00 0.00 C ATOM 686 O ARG A 48 26.772 -10.282 4.037 1.00 0.00 O ATOM 687 CB ARG A 48 27.203 -13.266 5.657 1.00 0.00 C ATOM 688 CG ARG A 48 28.222 -14.244 5.096 1.00 0.00 C ATOM 689 CD ARG A 48 27.558 -15.311 4.241 1.00 0.00 C ATOM 690 NE ARG A 48 27.689 -15.030 2.814 1.00 0.00 N ATOM 691 CZ ARG A 48 28.247 -15.867 1.945 1.00 0.00 C ATOM 692 NH1 ARG A 48 28.725 -17.033 2.355 1.00 0.00 N ATOM 693 NH2 ARG A 48 28.326 -15.537 0.663 1.00 0.00 N ATOM 0 H ARG A 48 27.311 -10.896 7.497 1.00 0.00 H new ATOM 0 HA ARG A 48 28.562 -11.731 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.961 -13.554 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.282 -13.342 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.957 -13.703 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.763 -14.717 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.003 -16.281 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.502 -15.379 4.502 1.00 0.00 H new ATOM 0 HE ARG A 48 27.332 -14.141 2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.665 -17.291 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.152 -17.673 1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 48 27.959 -14.641 0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 28.754 -16.179 -0.004 1.00 0.00 H new ATOM 707 N PHE A 49 25.454 -10.857 5.768 1.00 0.00 N ATOM 708 CA PHE A 49 24.331 -10.033 5.333 1.00 0.00 C ATOM 709 C PHE A 49 24.035 -8.936 6.350 1.00 0.00 C ATOM 710 O PHE A 49 23.240 -9.127 7.271 1.00 0.00 O ATOM 711 CB PHE A 49 23.086 -10.899 5.124 1.00 0.00 C ATOM 712 CG PHE A 49 23.342 -12.139 4.317 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.614 -12.057 2.961 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.310 -13.389 4.915 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.849 -13.197 2.217 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.543 -14.532 4.176 1.00 0.00 C ATOM 717 CZ PHE A 49 23.814 -14.436 2.825 1.00 0.00 C ATOM 0 H PHE A 49 25.288 -11.373 6.632 1.00 0.00 H new ATOM 0 HA PHE A 49 24.602 -9.564 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.686 -11.185 6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.320 -10.304 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.643 -11.090 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.100 -13.470 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.060 -13.119 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.513 -15.500 4.654 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.998 -15.328 2.245 1.00 0.00 H new ATOM 727 N PHE A 50 24.680 -7.785 6.179 1.00 0.00 N ATOM 728 CA PHE A 50 24.482 -6.660 7.085 1.00 0.00 C ATOM 729 C PHE A 50 23.106 -6.034 6.882 1.00 0.00 C ATOM 730 O PHE A 50 22.418 -6.327 5.903 1.00 0.00 O ATOM 731 CB PHE A 50 25.579 -5.610 6.881 1.00 0.00 C ATOM 732 CG PHE A 50 25.407 -4.786 5.637 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.816 -5.271 4.405 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.834 -3.525 5.701 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.659 -4.513 3.261 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.674 -2.764 4.559 1.00 0.00 C ATOM 737 CZ PHE A 50 25.087 -3.258 3.337 1.00 0.00 C ATOM 0 H PHE A 50 25.342 -7.608 5.423 1.00 0.00 H new ATOM 0 HA PHE A 50 24.540 -7.033 8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.598 -4.946 7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.546 -6.111 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.262 -6.252 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.509 -3.133 6.654 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.984 -4.902 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.226 -1.783 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.963 -2.665 2.443 1.00 0.00 H new ATOM 747 N THR A 51 22.711 -5.174 7.814 1.00 0.00 N ATOM 748 CA THR A 51 21.415 -4.509 7.742 1.00 0.00 C ATOM 749 C THR A 51 21.410 -3.226 8.569 1.00 0.00 C ATOM 750 O THR A 51 21.328 -3.265 9.797 1.00 0.00 O ATOM 751 CB THR A 51 20.284 -5.434 8.236 1.00 0.00 C ATOM 752 OG1 THR A 51 20.152 -6.556 7.354 1.00 0.00 O ATOM 753 CG2 THR A 51 18.960 -4.690 8.314 1.00 0.00 C ATOM 0 H THR A 51 23.270 -4.921 8.629 1.00 0.00 H new ATOM 0 HA THR A 51 21.240 -4.262 6.695 1.00 0.00 H new ATOM 0 HB THR A 51 20.544 -5.780 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.847 -6.513 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.182 -5.368 8.665 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.053 -3.854 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.695 -4.314 7.326 1.00 0.00 H new ATOM 761 N LEU A 52 21.496 -2.088 7.884 1.00 0.00 N ATOM 762 CA LEU A 52 21.498 -0.791 8.550 1.00 0.00 C ATOM 763 C LEU A 52 20.076 -0.251 8.675 1.00 0.00 C ATOM 764 O LEU A 52 19.193 -0.621 7.902 1.00 0.00 O ATOM 765 CB LEU A 52 22.376 0.198 7.773 1.00 0.00 C ATOM 766 CG LEU A 52 22.165 1.675 8.120 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.148 2.117 9.192 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.302 2.539 6.877 1.00 0.00 C ATOM 0 H LEU A 52 21.565 -2.039 6.868 1.00 0.00 H new ATOM 0 HA LEU A 52 21.908 -0.915 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.422 -0.054 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.191 0.062 6.707 1.00 0.00 H new ATOM 0 HG LEU A 52 21.155 1.796 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.983 3.169 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.000 1.518 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.167 1.981 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.149 3.585 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.299 2.414 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.556 2.239 6.141 1.00 0.00 H new ATOM 780 N ALA A 53 19.859 0.625 9.651 1.00 0.00 N ATOM 781 CA ALA A 53 18.545 1.214 9.870 1.00 0.00 C ATOM 782 C ALA A 53 18.627 2.735 9.909 1.00 0.00 C ATOM 783 O ALA A 53 17.950 3.384 10.707 1.00 0.00 O ATOM 784 CB ALA A 53 17.934 0.685 11.156 1.00 0.00 C ATOM 0 H ALA A 53 20.577 0.942 10.302 1.00 0.00 H new ATOM 0 HA ALA A 53 17.905 0.930 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.952 1.135 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.830 -0.398 11.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.580 0.938 11.997 1.00 0.00 H new ATOM 790 N SER A 54 19.464 3.294 9.039 1.00 0.00 N ATOM 791 CA SER A 54 19.648 4.740 8.959 1.00 0.00 C ATOM 792 C SER A 54 20.302 5.291 10.225 1.00 0.00 C ATOM 793 O SER A 54 20.587 6.485 10.314 1.00 0.00 O ATOM 794 CB SER A 54 18.306 5.434 8.719 1.00 0.00 C ATOM 795 OG SER A 54 18.434 6.842 8.805 1.00 0.00 O ATOM 0 H SER A 54 20.029 2.763 8.376 1.00 0.00 H new ATOM 0 HA SER A 54 20.313 4.944 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.923 5.161 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.578 5.087 9.452 1.00 0.00 H new ATOM 0 HG SER A 54 19.266 7.067 9.271 1.00 0.00 H new ATOM 801 N GLY A 55 20.536 4.419 11.200 1.00 0.00 N ATOM 802 CA GLY A 55 21.152 4.848 12.442 1.00 0.00 C ATOM 803 C GLY A 55 21.722 3.697 13.248 1.00 0.00 C ATOM 804 O GLY A 55 22.154 3.885 14.385 1.00 0.00 O ATOM 0 H GLY A 55 20.311 3.425 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.948 5.559 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.413 5.376 13.045 1.00 0.00 H new ATOM 808 N LYS A 56 21.724 2.502 12.662 1.00 0.00 N ATOM 809 CA LYS A 56 22.247 1.322 13.344 1.00 0.00 C ATOM 810 C LYS A 56 22.427 0.156 12.376 1.00 0.00 C ATOM 811 O LYS A 56 21.473 -0.283 11.735 1.00 0.00 O ATOM 812 CB LYS A 56 21.311 0.911 14.481 1.00 0.00 C ATOM 813 CG LYS A 56 22.036 0.341 15.689 1.00 0.00 C ATOM 814 CD LYS A 56 21.185 0.442 16.945 1.00 0.00 C ATOM 815 CE LYS A 56 20.497 -0.877 17.260 1.00 0.00 C ATOM 816 NZ LYS A 56 19.213 -0.674 17.986 1.00 0.00 N ATOM 0 H LYS A 56 21.371 2.326 11.721 1.00 0.00 H new ATOM 0 HA LYS A 56 23.224 1.579 13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.729 1.778 14.793 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.604 0.170 14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.291 -0.702 15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.974 0.877 15.839 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.811 0.737 17.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.435 1.223 16.816 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.308 -1.418 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.160 -1.498 17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.775 -1.597 18.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.396 -0.180 18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.570 -0.103 17.401 1.00 0.00 H new ATOM 830 N CYS A 57 23.656 -0.344 12.283 1.00 0.00 N ATOM 831 CA CYS A 57 23.963 -1.464 11.401 1.00 0.00 C ATOM 832 C CYS A 57 23.799 -2.791 12.139 1.00 0.00 C ATOM 833 O CYS A 57 23.892 -2.841 13.366 1.00 0.00 O ATOM 834 CB CYS A 57 25.389 -1.342 10.861 1.00 0.00 C ATOM 835 SG CYS A 57 25.956 0.374 10.631 1.00 0.00 S ATOM 0 H CYS A 57 24.456 0.010 12.808 1.00 0.00 H new ATOM 0 HA CYS A 57 23.264 -1.440 10.565 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.069 -1.849 11.545 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.450 -1.864 9.906 1.00 0.00 H new ATOM 840 N SER A 58 23.555 -3.860 11.387 1.00 0.00 N ATOM 841 CA SER A 58 23.381 -5.186 11.976 1.00 0.00 C ATOM 842 C SER A 58 23.768 -6.278 10.986 1.00 0.00 C ATOM 843 O SER A 58 23.079 -6.500 9.993 1.00 0.00 O ATOM 844 CB SER A 58 21.931 -5.383 12.426 1.00 0.00 C ATOM 845 OG SER A 58 21.346 -4.156 12.826 1.00 0.00 O ATOM 0 H SER A 58 23.473 -3.836 10.371 1.00 0.00 H new ATOM 0 HA SER A 58 24.037 -5.257 12.843 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.351 -5.817 11.612 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.898 -6.091 13.254 1.00 0.00 H new ATOM 0 HG SER A 58 21.125 -3.625 12.033 1.00 0.00 H new ATOM 851 N LEU A 59 24.873 -6.960 11.264 1.00 0.00 N ATOM 852 CA LEU A 59 25.349 -8.031 10.394 1.00 0.00 C ATOM 853 C LEU A 59 24.799 -9.378 10.846 1.00 0.00 C ATOM 854 O LEU A 59 24.798 -9.692 12.036 1.00 0.00 O ATOM 855 CB LEU A 59 26.882 -8.071 10.364 1.00 0.00 C ATOM 856 CG LEU A 59 27.592 -7.165 11.376 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.048 -7.581 11.527 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.496 -5.707 10.957 1.00 0.00 C ATOM 0 H LEU A 59 25.456 -6.791 12.084 1.00 0.00 H new ATOM 0 HA LEU A 59 24.988 -7.827 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.203 -9.098 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.214 -7.796 9.363 1.00 0.00 H new ATOM 0 HG LEU A 59 27.096 -7.274 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.540 -6.929 12.249 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.097 -8.612 11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.551 -7.500 10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.007 -5.083 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 59 27.964 -5.577 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.448 -5.414 10.898 1.00 0.00 H new ATOM 870 N PHE A 60 24.328 -10.170 9.888 1.00 0.00 N ATOM 871 CA PHE A 60 23.767 -11.483 10.187 1.00 0.00 C ATOM 872 C PHE A 60 24.484 -12.579 9.407 1.00 0.00 C ATOM 873 O PHE A 60 24.639 -12.491 8.190 1.00 0.00 O ATOM 874 CB PHE A 60 22.272 -11.502 9.864 1.00 0.00 C ATOM 875 CG PHE A 60 21.513 -10.378 10.504 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.060 -10.485 11.809 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.257 -9.210 9.804 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.367 -9.449 12.403 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.565 -8.170 10.395 1.00 0.00 C ATOM 880 CZ PHE A 60 20.119 -8.290 11.696 1.00 0.00 C ATOM 0 H PHE A 60 24.324 -9.925 8.898 1.00 0.00 H new ATOM 0 HA PHE A 60 23.907 -11.676 11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.140 -11.451 8.783 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.848 -12.451 10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.251 -11.389 12.368 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.602 -9.111 8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.019 -9.546 13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.373 -7.264 9.839 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.577 -7.479 12.159 1.00 0.00 H new ATOM 890 N ALA A 61 24.917 -13.614 10.120 1.00 0.00 N ATOM 891 CA ALA A 61 25.616 -14.733 9.501 1.00 0.00 C ATOM 892 C ALA A 61 24.627 -15.709 8.870 1.00 0.00 C ATOM 893 O ALA A 61 23.522 -15.324 8.486 1.00 0.00 O ATOM 894 CB ALA A 61 26.486 -15.441 10.530 1.00 0.00 C ATOM 0 H ALA A 61 24.795 -13.700 11.129 1.00 0.00 H new ATOM 0 HA ALA A 61 26.257 -14.345 8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.004 -16.275 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.218 -14.740 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.860 -15.815 11.340 1.00 0.00 H new ATOM 900 N ASP A 62 25.028 -16.974 8.765 1.00 0.00 N ATOM 901 CA ASP A 62 24.173 -18.000 8.180 1.00 0.00 C ATOM 902 C ASP A 62 22.921 -18.215 9.025 1.00 0.00 C ATOM 903 O ASP A 62 22.914 -19.029 9.949 1.00 0.00 O ATOM 904 CB ASP A 62 24.941 -19.316 8.043 1.00 0.00 C ATOM 905 CG ASP A 62 25.346 -19.604 6.611 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.449 -19.687 5.745 1.00 0.00 O ATOM 907 OD2 ASP A 62 26.561 -19.747 6.354 1.00 0.00 O ATOM 0 H ASP A 62 25.939 -17.311 9.077 1.00 0.00 H new ATOM 0 HA ASP A 62 23.867 -17.660 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.832 -19.280 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.324 -20.134 8.414 1.00 0.00 H new ATOM 912 N ASP A 63 21.862 -17.477 8.703 1.00 0.00 N ATOM 913 CA ASP A 63 20.604 -17.584 9.431 1.00 0.00 C ATOM 914 C ASP A 63 19.447 -17.036 8.601 1.00 0.00 C ATOM 915 O ASP A 63 19.644 -16.555 7.486 1.00 0.00 O ATOM 916 CB ASP A 63 20.694 -16.832 10.761 1.00 0.00 C ATOM 917 CG ASP A 63 20.404 -17.724 11.951 1.00 0.00 C ATOM 918 OD1 ASP A 63 21.009 -18.813 12.039 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.573 -17.332 12.797 1.00 0.00 O ATOM 0 H ASP A 63 21.852 -16.798 7.942 1.00 0.00 H new ATOM 0 HA ASP A 63 20.417 -18.639 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.691 -16.404 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.989 -16.001 10.753 1.00 0.00 H new ATOM 924 N ALA A 64 18.239 -17.112 9.154 1.00 0.00 N ATOM 925 CA ALA A 64 17.051 -16.624 8.463 1.00 0.00 C ATOM 926 C ALA A 64 15.940 -16.285 9.452 1.00 0.00 C ATOM 927 O ALA A 64 14.799 -16.043 9.059 1.00 0.00 O ATOM 928 CB ALA A 64 16.566 -17.655 7.456 1.00 0.00 C ATOM 0 H ALA A 64 18.058 -17.506 10.077 1.00 0.00 H new ATOM 0 HA ALA A 64 17.320 -15.711 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.679 -17.278 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.351 -17.845 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.321 -18.582 7.974 1.00 0.00 H new ATOM 934 N ALA A 65 16.281 -16.269 10.737 1.00 0.00 N ATOM 935 CA ALA A 65 15.313 -15.960 11.782 1.00 0.00 C ATOM 936 C ALA A 65 14.956 -14.476 11.778 1.00 0.00 C ATOM 937 O ALA A 65 13.973 -14.063 12.393 1.00 0.00 O ATOM 938 CB ALA A 65 15.855 -16.371 13.143 1.00 0.00 C ATOM 0 H ALA A 65 17.221 -16.467 11.079 1.00 0.00 H new ATOM 0 HA ALA A 65 14.404 -16.527 11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.121 -16.134 13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.053 -17.443 13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.780 -15.831 13.345 1.00 0.00 H new ATOM 944 N LEU A 66 15.762 -13.682 11.081 1.00 0.00 N ATOM 945 CA LEU A 66 15.533 -12.244 10.995 1.00 0.00 C ATOM 946 C LEU A 66 14.238 -11.942 10.246 1.00 0.00 C ATOM 947 O LEU A 66 13.768 -12.756 9.451 1.00 0.00 O ATOM 948 CB LEU A 66 16.711 -11.555 10.301 1.00 0.00 C ATOM 949 CG LEU A 66 17.407 -12.390 9.224 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.616 -11.567 7.963 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.734 -12.926 9.741 1.00 0.00 C ATOM 0 H LEU A 66 16.580 -14.010 10.567 1.00 0.00 H new ATOM 0 HA LEU A 66 15.444 -11.857 12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.355 -10.630 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.447 -11.278 11.056 1.00 0.00 H new ATOM 0 HG LEU A 66 16.767 -13.237 8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.112 -12.177 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.651 -11.233 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.235 -10.700 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.216 -13.518 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.381 -12.093 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.558 -13.552 10.616 1.00 0.00 H new ATOM 963 N ARG A 67 13.669 -10.769 10.505 1.00 0.00 N ATOM 964 CA ARG A 67 12.429 -10.360 9.856 1.00 0.00 C ATOM 965 C ARG A 67 12.283 -8.841 9.863 1.00 0.00 C ATOM 966 O ARG A 67 12.771 -8.167 10.769 1.00 0.00 O ATOM 967 CB ARG A 67 11.229 -11.001 10.553 1.00 0.00 C ATOM 968 CG ARG A 67 11.077 -10.590 12.008 1.00 0.00 C ATOM 969 CD ARG A 67 9.630 -10.277 12.350 1.00 0.00 C ATOM 970 NE ARG A 67 9.393 -10.289 13.792 1.00 0.00 N ATOM 971 CZ ARG A 67 8.848 -11.314 14.441 1.00 0.00 C ATOM 972 NH1 ARG A 67 8.485 -12.405 13.780 1.00 0.00 N ATOM 973 NH2 ARG A 67 8.665 -11.247 15.753 1.00 0.00 N ATOM 0 H ARG A 67 14.047 -10.085 11.160 1.00 0.00 H new ATOM 0 HA ARG A 67 12.464 -10.698 8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.321 -10.734 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.325 -12.085 10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.439 -11.390 12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.696 -9.715 12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.366 -9.299 11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.978 -11.006 11.869 1.00 0.00 H new ATOM 0 HE ARG A 67 9.660 -9.465 14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.624 -12.460 12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.067 -13.189 14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.942 -10.409 16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.247 -12.033 16.250 1.00 0.00 H new ATOM 987 N PRO A 68 11.604 -8.277 8.850 1.00 0.00 N ATOM 988 CA PRO A 68 11.400 -6.830 8.749 1.00 0.00 C ATOM 989 C PRO A 68 10.391 -6.315 9.772 1.00 0.00 C ATOM 990 O PRO A 68 9.662 -7.095 10.385 1.00 0.00 O ATOM 991 CB PRO A 68 10.868 -6.647 7.330 1.00 0.00 C ATOM 992 CG PRO A 68 10.202 -7.939 7.006 1.00 0.00 C ATOM 993 CD PRO A 68 10.984 -9.004 7.725 1.00 0.00 C ATOM 0 HA PRO A 68 12.315 -6.272 8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.166 -5.815 7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.675 -6.431 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.162 -7.933 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.199 -8.117 5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.338 -9.809 8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.735 -9.457 7.077 1.00 0.00 H new ATOM 1001 N THR A 69 10.358 -4.998 9.953 1.00 0.00 N ATOM 1002 CA THR A 69 9.441 -4.380 10.903 1.00 0.00 C ATOM 1003 C THR A 69 8.837 -3.098 10.338 1.00 0.00 C ATOM 1004 O THR A 69 8.203 -2.330 11.062 1.00 0.00 O ATOM 1005 CB THR A 69 10.147 -4.061 12.235 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.201 -3.557 13.185 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.258 -3.042 12.030 1.00 0.00 C ATOM 0 H THR A 69 10.956 -4.339 9.454 1.00 0.00 H new ATOM 0 HA THR A 69 8.643 -5.100 11.085 1.00 0.00 H new ATOM 0 HB THR A 69 10.587 -4.983 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.561 -2.970 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.741 -2.833 12.985 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.993 -3.441 11.331 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.837 -2.121 11.627 1.00 0.00 H new ATOM 1015 N LYS A 70 9.040 -2.876 9.041 1.00 0.00 N ATOM 1016 CA LYS A 70 8.519 -1.689 8.366 1.00 0.00 C ATOM 1017 C LYS A 70 9.165 -0.417 8.909 1.00 0.00 C ATOM 1018 O LYS A 70 9.083 -0.126 10.103 1.00 0.00 O ATOM 1019 CB LYS A 70 6.999 -1.607 8.516 1.00 0.00 C ATOM 1020 CG LYS A 70 6.245 -1.834 7.216 1.00 0.00 C ATOM 1021 CD LYS A 70 4.764 -2.071 7.464 1.00 0.00 C ATOM 1022 CE LYS A 70 3.910 -1.008 6.792 1.00 0.00 C ATOM 1023 NZ LYS A 70 3.005 -0.329 7.760 1.00 0.00 N ATOM 0 H LYS A 70 9.564 -3.506 8.434 1.00 0.00 H new ATOM 0 HA LYS A 70 8.766 -1.775 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.674 -2.346 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.734 -0.627 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.372 -0.969 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.669 -2.691 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.484 -3.055 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.569 -2.072 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.556 -0.269 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.317 -1.466 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.440 0.388 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.371 -1.030 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.571 0.130 8.502 1.00 0.00 H new ATOM 1037 N SER A 71 9.808 0.338 8.024 1.00 0.00 N ATOM 1038 CA SER A 71 10.470 1.579 8.410 1.00 0.00 C ATOM 1039 C SER A 71 10.806 2.421 7.184 1.00 0.00 C ATOM 1040 O SER A 71 11.197 1.891 6.143 1.00 0.00 O ATOM 1041 CB SER A 71 11.744 1.277 9.201 1.00 0.00 C ATOM 1042 OG SER A 71 12.415 2.472 9.565 1.00 0.00 O ATOM 0 H SER A 71 9.885 0.111 7.032 1.00 0.00 H new ATOM 0 HA SER A 71 9.785 2.146 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.493 0.710 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.407 0.652 8.603 1.00 0.00 H new ATOM 0 HG SER A 71 13.225 2.251 10.071 1.00 0.00 H new ATOM 1048 N ASP A 72 10.654 3.735 7.315 1.00 0.00 N ATOM 1049 CA ASP A 72 10.943 4.652 6.218 1.00 0.00 C ATOM 1050 C ASP A 72 12.316 5.294 6.395 1.00 0.00 C ATOM 1051 O ASP A 72 12.426 6.452 6.797 1.00 0.00 O ATOM 1052 CB ASP A 72 9.867 5.737 6.130 1.00 0.00 C ATOM 1053 CG ASP A 72 9.029 5.828 7.391 1.00 0.00 C ATOM 1054 OD1 ASP A 72 8.073 5.036 7.527 1.00 0.00 O ATOM 1055 OD2 ASP A 72 9.331 6.690 8.242 1.00 0.00 O ATOM 0 H ASP A 72 10.332 4.189 8.170 1.00 0.00 H new ATOM 0 HA ASP A 72 10.945 4.079 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.341 6.700 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.217 5.531 5.280 1.00 0.00 H new ATOM 1060 N GLY A 73 13.362 4.530 6.092 1.00 0.00 N ATOM 1061 CA GLY A 73 14.715 5.037 6.222 1.00 0.00 C ATOM 1062 C GLY A 73 15.741 3.926 6.321 1.00 0.00 C ATOM 1063 O GLY A 73 16.892 4.096 5.918 1.00 0.00 O ATOM 0 H GLY A 73 13.296 3.568 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.948 5.668 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.780 5.668 7.108 1.00 0.00 H new ATOM 1067 N ALA A 74 15.323 2.784 6.861 1.00 0.00 N ATOM 1068 CA ALA A 74 16.211 1.639 7.012 1.00 0.00 C ATOM 1069 C ALA A 74 16.559 1.030 5.658 1.00 0.00 C ATOM 1070 O ALA A 74 15.892 1.295 4.658 1.00 0.00 O ATOM 1071 CB ALA A 74 15.572 0.593 7.911 1.00 0.00 C ATOM 0 H ALA A 74 14.374 2.629 7.201 1.00 0.00 H new ATOM 0 HA ALA A 74 17.135 1.987 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.246 -0.257 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.379 1.026 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.633 0.259 7.470 1.00 0.00 H new ATOM 1077 N VAL A 75 17.605 0.211 5.635 1.00 0.00 N ATOM 1078 CA VAL A 75 18.044 -0.438 4.407 1.00 0.00 C ATOM 1079 C VAL A 75 19.067 -1.534 4.698 1.00 0.00 C ATOM 1080 O VAL A 75 19.981 -1.346 5.500 1.00 0.00 O ATOM 1081 CB VAL A 75 18.654 0.578 3.421 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.862 1.268 4.037 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.026 -0.102 2.112 1.00 0.00 C ATOM 0 H VAL A 75 18.165 -0.019 6.456 1.00 0.00 H new ATOM 0 HA VAL A 75 17.161 -0.885 3.952 1.00 0.00 H new ATOM 0 HB VAL A 75 17.904 1.339 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.277 1.981 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.558 1.795 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 75 20.618 0.524 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.455 0.632 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.756 -0.888 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.134 -0.538 1.662 1.00 0.00 H new ATOM 1093 N SER A 76 18.905 -2.679 4.041 1.00 0.00 N ATOM 1094 CA SER A 76 19.813 -3.804 4.232 1.00 0.00 C ATOM 1095 C SER A 76 20.705 -3.996 3.010 1.00 0.00 C ATOM 1096 O SER A 76 20.604 -3.254 2.033 1.00 0.00 O ATOM 1097 CB SER A 76 19.021 -5.084 4.505 1.00 0.00 C ATOM 1098 OG SER A 76 17.776 -5.068 3.829 1.00 0.00 O ATOM 0 H SER A 76 18.154 -2.851 3.373 1.00 0.00 H new ATOM 0 HA SER A 76 20.447 -3.586 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.601 -5.949 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.855 -5.191 5.577 1.00 0.00 H new ATOM 0 HG SER A 76 17.290 -5.898 4.019 1.00 0.00 H new ATOM 1104 N GLY A 77 21.579 -4.996 3.072 1.00 0.00 N ATOM 1105 CA GLY A 77 22.477 -5.266 1.963 1.00 0.00 C ATOM 1106 C GLY A 77 22.959 -6.703 1.943 1.00 0.00 C ATOM 1107 O GLY A 77 22.797 -7.433 2.921 1.00 0.00 O ATOM 0 H GLY A 77 21.682 -5.624 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.968 -5.044 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.337 -4.599 2.025 1.00 0.00 H new