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= -0.136 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.698 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 USER MOD Single : A 35 GLN : amide:sc= -0.768 K(o=-0.77,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.17 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 -12:sc= 0.0205 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 69 THR OG1 : rot 150:sc= -0.195 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 -117:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 15.049 -3.033 4.438 1.00 0.00 N ATOM 269 CA VAL A 18 14.913 -2.226 5.652 1.00 0.00 C ATOM 270 C VAL A 18 15.548 -2.912 6.863 1.00 0.00 C ATOM 271 O VAL A 18 16.258 -3.907 6.724 1.00 0.00 O ATOM 272 CB VAL A 18 13.431 -1.897 5.956 1.00 0.00 C ATOM 273 CG1 VAL A 18 12.685 -1.579 4.669 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.747 -3.035 6.703 1.00 0.00 C ATOM 0 HA VAL A 18 15.445 -1.294 5.464 1.00 0.00 H new ATOM 0 HB VAL A 18 13.410 -1.019 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.644 -1.350 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.147 -0.720 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.728 -2.440 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.708 -2.769 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.781 -3.940 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.261 -3.211 7.648 1.00 0.00 H new ATOM 284 N SER A 19 15.291 -2.369 8.049 1.00 0.00 N ATOM 285 CA SER A 19 15.836 -2.928 9.280 1.00 0.00 C ATOM 286 C SER A 19 15.348 -4.359 9.480 1.00 0.00 C ATOM 287 O SER A 19 14.437 -4.815 8.788 1.00 0.00 O ATOM 288 CB SER A 19 15.436 -2.068 10.479 1.00 0.00 C ATOM 289 OG SER A 19 16.027 -2.549 11.673 1.00 0.00 O ATOM 0 H SER A 19 14.709 -1.542 8.183 1.00 0.00 H new ATOM 0 HA SER A 19 16.923 -2.937 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.742 -1.036 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.351 -2.065 10.582 1.00 0.00 H new ATOM 0 HG SER A 19 15.757 -1.980 12.424 1.00 0.00 H new ATOM 295 N PHE A 20 15.957 -5.065 10.425 1.00 0.00 N ATOM 296 CA PHE A 20 15.578 -6.444 10.705 1.00 0.00 C ATOM 297 C PHE A 20 15.423 -6.680 12.202 1.00 0.00 C ATOM 298 O PHE A 20 16.147 -6.100 13.012 1.00 0.00 O ATOM 299 CB PHE A 20 16.615 -7.408 10.125 1.00 0.00 C ATOM 300 CG PHE A 20 16.310 -7.832 8.717 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.041 -8.267 8.371 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.290 -7.794 7.739 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.753 -8.655 7.079 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.009 -8.181 6.442 1.00 0.00 C ATOM 305 CZ PHE A 20 15.738 -8.613 6.112 1.00 0.00 C ATOM 0 H PHE A 20 16.713 -4.707 11.009 1.00 0.00 H new ATOM 0 HA PHE A 20 14.614 -6.630 10.231 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.596 -6.933 10.150 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.673 -8.293 10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.267 -8.303 9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.285 -7.458 7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.759 -8.991 6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.781 -8.146 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.516 -8.917 5.100 1.00 0.00 H new ATOM 315 N THR A 21 14.471 -7.535 12.562 1.00 0.00 N ATOM 316 CA THR A 21 14.217 -7.849 13.963 1.00 0.00 C ATOM 317 C THR A 21 13.844 -9.317 14.139 1.00 0.00 C ATOM 318 O THR A 21 13.629 -10.034 13.162 1.00 0.00 O ATOM 319 CB THR A 21 13.091 -6.969 14.542 1.00 0.00 C ATOM 320 OG1 THR A 21 12.685 -7.465 15.824 1.00 0.00 O ATOM 321 CG2 THR A 21 11.893 -6.934 13.605 1.00 0.00 C ATOM 0 H THR A 21 13.863 -8.022 11.903 1.00 0.00 H new ATOM 0 HA THR A 21 15.140 -7.645 14.505 1.00 0.00 H new ATOM 0 HB THR A 21 13.477 -5.956 14.652 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.971 -6.898 16.183 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.112 -6.307 14.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.197 -6.525 12.641 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.510 -7.945 13.466 1.00 0.00 H new ATOM 329 N GLY A 22 13.773 -9.757 15.390 1.00 0.00 N ATOM 330 CA GLY A 22 13.427 -11.138 15.675 1.00 0.00 C ATOM 331 C GLY A 22 14.644 -12.039 15.730 1.00 0.00 C ATOM 332 O GLY A 22 14.781 -12.854 16.642 1.00 0.00 O ATOM 0 H GLY A 22 13.949 -9.182 16.214 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.898 -11.188 16.627 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.742 -11.503 14.910 1.00 0.00 H new ATOM 336 N GLY A 23 15.532 -11.892 14.750 1.00 0.00 N ATOM 337 CA GLY A 23 16.733 -12.705 14.708 1.00 0.00 C ATOM 338 C GLY A 23 17.798 -12.215 15.669 1.00 0.00 C ATOM 339 O GLY A 23 17.602 -11.221 16.369 1.00 0.00 O ATOM 0 H GLY A 23 15.440 -11.224 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.478 -13.737 14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.134 -12.703 13.694 1.00 0.00 H new ATOM 343 N LYS A 24 18.928 -12.914 15.704 1.00 0.00 N ATOM 344 CA LYS A 24 20.028 -12.546 16.588 1.00 0.00 C ATOM 345 C LYS A 24 21.229 -12.054 15.786 1.00 0.00 C ATOM 346 O LYS A 24 21.996 -12.851 15.246 1.00 0.00 O ATOM 347 CB LYS A 24 20.432 -13.738 17.456 1.00 0.00 C ATOM 348 CG LYS A 24 19.767 -13.748 18.823 1.00 0.00 C ATOM 349 CD LYS A 24 20.744 -13.361 19.922 1.00 0.00 C ATOM 350 CE LYS A 24 20.653 -11.881 20.252 1.00 0.00 C ATOM 351 NZ LYS A 24 20.461 -11.647 21.710 1.00 0.00 N ATOM 0 H LYS A 24 19.106 -13.738 15.130 1.00 0.00 H new ATOM 0 HA LYS A 24 19.688 -11.735 17.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.181 -14.660 16.932 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.514 -13.731 17.588 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.925 -13.056 18.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.365 -14.741 19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.537 -13.948 20.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.760 -13.603 19.609 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.562 -11.379 19.921 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.824 -11.437 19.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.404 -10.625 21.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.581 -12.104 22.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.264 -12.048 22.235 1.00 0.00 H new ATOM 365 N ALA A 25 21.387 -10.736 15.716 1.00 0.00 N ATOM 366 CA ALA A 25 22.496 -10.137 14.982 1.00 0.00 C ATOM 367 C ALA A 25 23.834 -10.506 15.612 1.00 0.00 C ATOM 368 O ALA A 25 24.087 -10.199 16.777 1.00 0.00 O ATOM 369 CB ALA A 25 22.338 -8.624 14.929 1.00 0.00 C ATOM 0 H ALA A 25 20.761 -10.063 16.158 1.00 0.00 H new ATOM 0 HA ALA A 25 22.480 -10.530 13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.173 -8.190 14.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.403 -8.373 14.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.325 -8.224 15.943 1.00 0.00 H new ATOM 375 N ILE A 26 24.690 -11.162 14.833 1.00 0.00 N ATOM 376 CA ILE A 26 26.005 -11.568 15.317 1.00 0.00 C ATOM 377 C ILE A 26 26.822 -10.353 15.742 1.00 0.00 C ATOM 378 O ILE A 26 27.740 -10.461 16.556 1.00 0.00 O ATOM 379 CB ILE A 26 26.787 -12.349 14.242 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.089 -11.451 13.040 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.004 -13.579 13.807 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.527 -10.981 12.979 1.00 0.00 C ATOM 0 H ILE A 26 24.497 -11.423 13.866 1.00 0.00 H new ATOM 0 HA ILE A 26 25.843 -12.219 16.176 1.00 0.00 H new ATOM 0 HB ILE A 26 27.734 -12.676 14.672 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.854 -11.993 12.124 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.433 -10.581 13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.569 -14.120 13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.838 -14.228 14.667 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.043 -13.271 13.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.667 -10.350 12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.762 -10.410 13.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.189 -11.844 12.914 1.00 0.00 H new ATOM 394 N SER A 27 26.476 -9.198 15.184 1.00 0.00 N ATOM 395 CA SER A 27 27.168 -7.955 15.495 1.00 0.00 C ATOM 396 C SER A 27 26.391 -6.760 14.968 1.00 0.00 C ATOM 397 O SER A 27 25.580 -6.886 14.052 1.00 0.00 O ATOM 398 CB SER A 27 28.574 -7.963 14.896 1.00 0.00 C ATOM 399 OG SER A 27 29.454 -7.142 15.644 1.00 0.00 O ATOM 0 H SER A 27 25.716 -9.098 14.511 1.00 0.00 H new ATOM 0 HA SER A 27 27.244 -7.872 16.579 1.00 0.00 H new ATOM 0 HB2 SER A 27 28.956 -8.983 14.872 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.535 -7.613 13.864 1.00 0.00 H new ATOM 0 HG SER A 27 30.347 -7.166 15.240 1.00 0.00 H new ATOM 405 N GLU A 28 26.642 -5.600 15.560 1.00 0.00 N ATOM 406 CA GLU A 28 25.966 -4.376 15.158 1.00 0.00 C ATOM 407 C GLU A 28 26.928 -3.194 15.200 1.00 0.00 C ATOM 408 O GLU A 28 27.731 -3.069 16.125 1.00 0.00 O ATOM 409 CB GLU A 28 24.774 -4.101 16.074 1.00 0.00 C ATOM 410 CG GLU A 28 24.324 -5.309 16.883 1.00 0.00 C ATOM 411 CD GLU A 28 24.173 -4.999 18.359 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.433 -4.050 18.694 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.795 -5.704 19.181 1.00 0.00 O ATOM 0 H GLU A 28 27.310 -5.482 16.322 1.00 0.00 H new ATOM 0 HA GLU A 28 25.609 -4.505 14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.034 -3.294 16.759 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.938 -3.749 15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.372 -5.669 16.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.046 -6.116 16.757 1.00 0.00 H new ATOM 420 N ALA A 29 26.839 -2.329 14.197 1.00 0.00 N ATOM 421 CA ALA A 29 27.702 -1.158 14.125 1.00 0.00 C ATOM 422 C ALA A 29 26.888 0.129 14.159 1.00 0.00 C ATOM 423 O ALA A 29 26.326 0.543 13.146 1.00 0.00 O ATOM 424 CB ALA A 29 28.557 -1.208 12.868 1.00 0.00 C ATOM 0 H ALA A 29 26.179 -2.417 13.424 1.00 0.00 H new ATOM 0 HA ALA A 29 28.355 -1.167 14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.197 -0.326 12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.176 -2.105 12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.912 -1.228 11.990 1.00 0.00 H new ATOM 430 N LYS A 30 26.831 0.761 15.328 1.00 0.00 N ATOM 431 CA LYS A 30 26.089 2.006 15.489 1.00 0.00 C ATOM 432 C LYS A 30 26.633 3.078 14.551 1.00 0.00 C ATOM 433 O LYS A 30 27.541 3.828 14.909 1.00 0.00 O ATOM 434 CB LYS A 30 26.167 2.491 16.939 1.00 0.00 C ATOM 435 CG LYS A 30 24.999 2.032 17.796 1.00 0.00 C ATOM 436 CD LYS A 30 25.248 2.305 19.270 1.00 0.00 C ATOM 437 CE LYS A 30 24.547 3.574 19.727 1.00 0.00 C ATOM 438 NZ LYS A 30 24.686 3.789 21.195 1.00 0.00 N ATOM 0 H LYS A 30 27.290 0.431 16.177 1.00 0.00 H new ATOM 0 HA LYS A 30 25.046 1.817 15.237 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.096 2.134 17.384 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.208 3.580 16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.090 2.544 17.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.833 0.965 17.645 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.896 1.460 19.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.319 2.395 19.449 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.962 4.430 19.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.490 3.518 19.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.194 4.664 21.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.268 2.985 21.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.694 3.868 21.440 1.00 0.00 H new ATOM 452 N ALA A 31 26.082 3.133 13.343 1.00 0.00 N ATOM 453 CA ALA A 31 26.518 4.101 12.347 1.00 0.00 C ATOM 454 C ALA A 31 25.336 4.843 11.736 1.00 0.00 C ATOM 455 O ALA A 31 24.258 4.276 11.558 1.00 0.00 O ATOM 456 CB ALA A 31 27.317 3.401 11.258 1.00 0.00 C ATOM 0 H ALA A 31 25.331 2.517 13.031 1.00 0.00 H new ATOM 0 HA ALA A 31 27.151 4.835 12.845 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.640 4.132 10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.191 2.922 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.694 2.647 10.777 1.00 0.00 H new ATOM 462 N ALA A 32 25.549 6.114 11.410 1.00 0.00 N ATOM 463 CA ALA A 32 24.506 6.934 10.809 1.00 0.00 C ATOM 464 C ALA A 32 24.448 6.710 9.303 1.00 0.00 C ATOM 465 O ALA A 32 23.561 7.225 8.621 1.00 0.00 O ATOM 466 CB ALA A 32 24.744 8.404 11.119 1.00 0.00 C ATOM 0 H ALA A 32 26.436 6.598 11.553 1.00 0.00 H new ATOM 0 HA ALA A 32 23.547 6.639 11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.956 9.004 10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.736 8.554 12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.711 8.709 10.718 1.00 0.00 H new ATOM 472 N SER A 33 25.400 5.934 8.793 1.00 0.00 N ATOM 473 CA SER A 33 25.465 5.634 7.368 1.00 0.00 C ATOM 474 C SER A 33 25.924 4.197 7.139 1.00 0.00 C ATOM 475 O SER A 33 26.779 3.685 7.863 1.00 0.00 O ATOM 476 CB SER A 33 26.415 6.604 6.663 1.00 0.00 C ATOM 477 OG SER A 33 25.933 7.935 6.736 1.00 0.00 O ATOM 0 H SER A 33 26.138 5.501 9.348 1.00 0.00 H new ATOM 0 HA SER A 33 24.465 5.750 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.403 6.546 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.529 6.312 5.619 1.00 0.00 H new ATOM 0 HG SER A 33 26.559 8.535 6.279 1.00 0.00 H new ATOM 483 N SER A 34 25.349 3.552 6.130 1.00 0.00 N ATOM 484 CA SER A 34 25.694 2.173 5.803 1.00 0.00 C ATOM 485 C SER A 34 27.157 2.054 5.411 1.00 0.00 C ATOM 486 O SER A 34 27.783 1.019 5.633 1.00 0.00 O ATOM 487 CB SER A 34 24.823 1.670 4.662 1.00 0.00 C ATOM 488 OG SER A 34 25.368 0.498 4.080 1.00 0.00 O ATOM 0 H SER A 34 24.640 3.963 5.523 1.00 0.00 H new ATOM 0 HA SER A 34 25.520 1.565 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 34 23.819 1.463 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.729 2.447 3.903 1.00 0.00 H new ATOM 0 HG SER A 34 24.788 0.195 3.350 1.00 0.00 H new ATOM 494 N GLN A 35 27.692 3.117 4.827 1.00 0.00 N ATOM 495 CA GLN A 35 29.083 3.134 4.404 1.00 0.00 C ATOM 496 C GLN A 35 29.980 2.663 5.545 1.00 0.00 C ATOM 497 O GLN A 35 30.949 1.930 5.333 1.00 0.00 O ATOM 498 CB GLN A 35 29.466 4.543 3.952 1.00 0.00 C ATOM 499 CG GLN A 35 30.951 4.852 4.069 1.00 0.00 C ATOM 500 CD GLN A 35 31.262 5.800 5.211 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.132 7.017 5.074 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.674 5.246 6.346 1.00 0.00 N ATOM 0 H GLN A 35 27.182 3.979 4.636 1.00 0.00 H new ATOM 0 HA GLN A 35 29.217 2.453 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.159 4.676 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.908 5.267 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.501 3.922 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.302 5.288 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.767 4.233 6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.897 5.834 7.149 1.00 0.00 H new ATOM 511 N ALA A 36 29.630 3.072 6.760 1.00 0.00 N ATOM 512 CA ALA A 36 30.379 2.679 7.943 1.00 0.00 C ATOM 513 C ALA A 36 30.090 1.224 8.287 1.00 0.00 C ATOM 514 O ALA A 36 30.957 0.507 8.787 1.00 0.00 O ATOM 515 CB ALA A 36 30.037 3.585 9.116 1.00 0.00 C ATOM 0 H ALA A 36 28.831 3.677 6.949 1.00 0.00 H new ATOM 0 HA ALA A 36 31.444 2.782 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.607 3.276 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.288 4.616 8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.971 3.513 9.332 1.00 0.00 H new ATOM 521 N CYS A 37 28.864 0.789 7.997 1.00 0.00 N ATOM 522 CA CYS A 37 28.460 -0.586 8.258 1.00 0.00 C ATOM 523 C CYS A 37 29.099 -1.520 7.236 1.00 0.00 C ATOM 524 O CYS A 37 29.205 -2.726 7.461 1.00 0.00 O ATOM 525 CB CYS A 37 26.935 -0.714 8.202 1.00 0.00 C ATOM 526 SG CYS A 37 26.324 -2.428 8.306 1.00 0.00 S ATOM 0 H CYS A 37 28.136 1.371 7.582 1.00 0.00 H new ATOM 0 HA CYS A 37 28.797 -0.865 9.256 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.503 -0.136 9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.578 -0.269 7.273 1.00 0.00 H new ATOM 531 N GLN A 38 29.529 -0.947 6.116 1.00 0.00 N ATOM 532 CA GLN A 38 30.168 -1.715 5.056 1.00 0.00 C ATOM 533 C GLN A 38 31.606 -2.046 5.433 1.00 0.00 C ATOM 534 O GLN A 38 32.020 -3.204 5.385 1.00 0.00 O ATOM 535 CB GLN A 38 30.139 -0.935 3.740 1.00 0.00 C ATOM 536 CG GLN A 38 28.738 -0.715 3.194 1.00 0.00 C ATOM 537 CD GLN A 38 28.455 -1.551 1.961 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.884 -1.215 0.856 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.730 -2.648 2.144 1.00 0.00 N ATOM 0 H GLN A 38 29.445 0.050 5.920 1.00 0.00 H new ATOM 0 HA GLN A 38 29.616 -2.646 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.617 0.033 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.730 -1.471 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.009 -0.956 3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.608 0.340 2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.395 -2.888 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.508 -3.251 1.352 1.00 0.00 H new ATOM 548 N GLU A 39 32.361 -1.020 5.816 1.00 0.00 N ATOM 549 CA GLU A 39 33.750 -1.206 6.211 1.00 0.00 C ATOM 550 C GLU A 39 33.834 -2.053 7.476 1.00 0.00 C ATOM 551 O GLU A 39 34.771 -2.831 7.656 1.00 0.00 O ATOM 552 CB GLU A 39 34.428 0.147 6.438 1.00 0.00 C ATOM 553 CG GLU A 39 35.035 0.742 5.179 1.00 0.00 C ATOM 554 CD GLU A 39 36.278 0.002 4.725 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.258 -0.044 5.498 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.270 -0.533 3.596 1.00 0.00 O ATOM 0 H GLU A 39 32.034 -0.055 5.860 1.00 0.00 H new ATOM 0 HA GLU A 39 34.269 -1.726 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.697 0.846 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.210 0.031 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.294 0.725 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.285 1.788 5.360 1.00 0.00 H new ATOM 563 N LEU A 40 32.837 -1.903 8.343 1.00 0.00 N ATOM 564 CA LEU A 40 32.784 -2.660 9.586 1.00 0.00 C ATOM 565 C LEU A 40 32.520 -4.133 9.293 1.00 0.00 C ATOM 566 O LEU A 40 33.273 -5.009 9.721 1.00 0.00 O ATOM 567 CB LEU A 40 31.689 -2.089 10.501 1.00 0.00 C ATOM 568 CG LEU A 40 31.379 -2.892 11.774 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.286 -3.916 11.508 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.628 -3.571 12.316 1.00 0.00 C ATOM 0 H LEU A 40 32.055 -1.263 8.206 1.00 0.00 H new ATOM 0 HA LEU A 40 33.744 -2.576 10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.980 -1.081 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.771 -1.999 9.921 1.00 0.00 H new ATOM 0 HG LEU A 40 31.023 -2.193 12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.081 -4.475 12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.380 -3.405 11.184 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.614 -4.603 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.376 -4.131 13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.027 -4.252 11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.377 -2.817 12.556 1.00 0.00 H new ATOM 582 N CYS A 41 31.448 -4.394 8.555 1.00 0.00 N ATOM 583 CA CYS A 41 31.076 -5.753 8.191 1.00 0.00 C ATOM 584 C CYS A 41 32.203 -6.439 7.423 1.00 0.00 C ATOM 585 O CYS A 41 32.386 -7.652 7.519 1.00 0.00 O ATOM 586 CB CYS A 41 29.803 -5.733 7.346 1.00 0.00 C ATOM 587 SG CYS A 41 28.664 -7.119 7.664 1.00 0.00 S ATOM 0 H CYS A 41 30.818 -3.677 8.196 1.00 0.00 H new ATOM 0 HA CYS A 41 30.894 -6.318 9.105 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.276 -4.797 7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.081 -5.742 6.292 1.00 0.00 H new ATOM 592 N GLU A 42 32.958 -5.651 6.662 1.00 0.00 N ATOM 593 CA GLU A 42 34.068 -6.181 5.878 1.00 0.00 C ATOM 594 C GLU A 42 35.183 -6.691 6.785 1.00 0.00 C ATOM 595 O GLU A 42 35.898 -7.630 6.437 1.00 0.00 O ATOM 596 CB GLU A 42 34.612 -5.106 4.935 1.00 0.00 C ATOM 597 CG GLU A 42 33.913 -5.068 3.586 1.00 0.00 C ATOM 598 CD GLU A 42 34.673 -4.253 2.559 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.626 -4.792 1.958 1.00 0.00 O ATOM 600 OE2 GLU A 42 34.314 -3.073 2.354 1.00 0.00 O ATOM 0 H GLU A 42 32.821 -4.644 6.572 1.00 0.00 H new ATOM 0 HA GLU A 42 33.695 -7.018 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.513 -4.132 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.677 -5.278 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.788 -6.086 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 32.914 -4.649 3.710 1.00 0.00 H new ATOM 607 N LYS A 43 35.326 -6.063 7.948 1.00 0.00 N ATOM 608 CA LYS A 43 36.355 -6.452 8.905 1.00 0.00 C ATOM 609 C LYS A 43 35.831 -7.513 9.868 1.00 0.00 C ATOM 610 O LYS A 43 36.375 -7.700 10.957 1.00 0.00 O ATOM 611 CB LYS A 43 36.841 -5.231 9.688 1.00 0.00 C ATOM 612 CG LYS A 43 37.564 -4.206 8.829 1.00 0.00 C ATOM 613 CD LYS A 43 39.023 -4.070 9.235 1.00 0.00 C ATOM 614 CE LYS A 43 39.376 -2.630 9.571 1.00 0.00 C ATOM 615 NZ LYS A 43 40.782 -2.497 10.041 1.00 0.00 N ATOM 0 H LYS A 43 34.742 -5.283 8.250 1.00 0.00 H new ATOM 0 HA LYS A 43 37.192 -6.875 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.986 -4.753 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.509 -5.562 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.502 -4.499 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.068 -3.239 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.222 -4.705 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.662 -4.423 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.227 -2.005 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.699 -2.261 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.982 -1.500 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 40.918 -3.073 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.430 -2.825 9.296 1.00 0.00 H new ATOM 629 N ASP A 44 34.773 -8.205 9.459 1.00 0.00 N ATOM 630 CA ASP A 44 34.175 -9.249 10.285 1.00 0.00 C ATOM 631 C ASP A 44 34.017 -10.545 9.497 1.00 0.00 C ATOM 632 O ASP A 44 33.547 -10.538 8.359 1.00 0.00 O ATOM 633 CB ASP A 44 32.815 -8.791 10.814 1.00 0.00 C ATOM 634 CG ASP A 44 32.661 -9.036 12.302 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.300 -8.311 13.093 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.900 -9.954 12.677 1.00 0.00 O ATOM 0 H ASP A 44 34.312 -8.062 8.561 1.00 0.00 H new ATOM 0 HA ASP A 44 34.841 -9.437 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.688 -7.728 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.024 -9.316 10.278 1.00 0.00 H new ATOM 641 N ALA A 45 34.413 -11.656 10.111 1.00 0.00 N ATOM 642 CA ALA A 45 34.316 -12.961 9.469 1.00 0.00 C ATOM 643 C ALA A 45 32.910 -13.536 9.606 1.00 0.00 C ATOM 644 O ALA A 45 32.439 -14.265 8.733 1.00 0.00 O ATOM 645 CB ALA A 45 35.340 -13.917 10.062 1.00 0.00 C ATOM 0 H ALA A 45 34.804 -11.678 11.053 1.00 0.00 H new ATOM 0 HA ALA A 45 34.526 -12.834 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.257 -14.888 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.342 -13.518 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.155 -14.031 11.130 1.00 0.00 H new ATOM 651 N LYS A 46 32.245 -13.201 10.707 1.00 0.00 N ATOM 652 CA LYS A 46 30.892 -13.681 10.961 1.00 0.00 C ATOM 653 C LYS A 46 29.864 -12.806 10.252 1.00 0.00 C ATOM 654 O LYS A 46 28.659 -12.954 10.459 1.00 0.00 O ATOM 655 CB LYS A 46 30.611 -13.703 12.465 1.00 0.00 C ATOM 656 CG LYS A 46 30.990 -15.015 13.133 1.00 0.00 C ATOM 657 CD LYS A 46 30.265 -15.194 14.458 1.00 0.00 C ATOM 658 CE LYS A 46 29.336 -16.397 14.427 1.00 0.00 C ATOM 659 NZ LYS A 46 30.012 -17.633 14.907 1.00 0.00 N ATOM 0 H LYS A 46 32.622 -12.598 11.438 1.00 0.00 H new ATOM 0 HA LYS A 46 30.812 -14.695 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.159 -12.890 12.941 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.551 -13.513 12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.749 -15.846 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.067 -15.042 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.994 -15.317 15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.691 -14.295 14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 28.462 -16.197 15.047 1.00 0.00 H new ATOM 0 HE3 LYS A 46 28.976 -16.552 13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 29.345 -18.430 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.831 -17.839 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 30.333 -17.495 15.887 1.00 0.00 H new ATOM 673 N CYS A 47 30.349 -11.895 9.416 1.00 0.00 N ATOM 674 CA CYS A 47 29.475 -10.995 8.672 1.00 0.00 C ATOM 675 C CYS A 47 29.135 -11.575 7.303 1.00 0.00 C ATOM 676 O CYS A 47 29.998 -12.128 6.621 1.00 0.00 O ATOM 677 CB CYS A 47 30.140 -9.626 8.511 1.00 0.00 C ATOM 678 SG CYS A 47 29.673 -8.744 6.987 1.00 0.00 S ATOM 0 H CYS A 47 31.344 -11.760 9.236 1.00 0.00 H new ATOM 0 HA CYS A 47 28.549 -10.878 9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.882 -9.006 9.370 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.222 -9.756 8.525 1.00 0.00 H new ATOM 683 N ARG A 48 27.873 -11.444 6.908 1.00 0.00 N ATOM 684 CA ARG A 48 27.416 -11.954 5.620 1.00 0.00 C ATOM 685 C ARG A 48 26.301 -11.079 5.055 1.00 0.00 C ATOM 686 O ARG A 48 26.429 -10.520 3.966 1.00 0.00 O ATOM 687 CB ARG A 48 26.926 -13.396 5.764 1.00 0.00 C ATOM 688 CG ARG A 48 27.353 -14.300 4.619 1.00 0.00 C ATOM 689 CD ARG A 48 27.282 -15.767 5.013 1.00 0.00 C ATOM 690 NE ARG A 48 28.528 -16.473 4.720 1.00 0.00 N ATOM 691 CZ ARG A 48 29.474 -16.704 5.623 1.00 0.00 C ATOM 692 NH1 ARG A 48 29.321 -16.286 6.873 1.00 0.00 N ATOM 693 NH2 ARG A 48 30.578 -17.353 5.278 1.00 0.00 N ATOM 0 H ARG A 48 27.148 -10.989 7.462 1.00 0.00 H new ATOM 0 HA ARG A 48 28.258 -11.932 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.303 -13.807 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.838 -13.397 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.712 -14.122 3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.371 -14.052 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.062 -15.846 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.460 -16.246 4.481 1.00 0.00 H new ATOM 0 HE ARG A 48 28.679 -16.807 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.474 -15.785 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.050 -16.465 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.701 -17.675 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.304 -17.530 5.973 1.00 0.00 H new ATOM 707 N PHE A 49 25.210 -10.965 5.805 1.00 0.00 N ATOM 708 CA PHE A 49 24.071 -10.157 5.383 1.00 0.00 C ATOM 709 C PHE A 49 23.825 -9.016 6.365 1.00 0.00 C ATOM 710 O PHE A 49 23.033 -9.147 7.298 1.00 0.00 O ATOM 711 CB PHE A 49 22.816 -11.024 5.267 1.00 0.00 C ATOM 712 CG PHE A 49 23.069 -12.379 4.667 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.546 -12.500 3.371 1.00 0.00 C ATOM 714 CD2 PHE A 49 22.828 -13.530 5.400 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.778 -13.745 2.819 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.059 -14.776 4.852 1.00 0.00 C ATOM 717 CZ PHE A 49 23.534 -14.884 3.560 1.00 0.00 C ATOM 0 H PHE A 49 25.090 -11.422 6.709 1.00 0.00 H new ATOM 0 HA PHE A 49 24.300 -9.732 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.381 -11.151 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.078 -10.500 4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.738 -11.612 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.456 -13.452 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.150 -13.827 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 49 22.868 -15.666 5.434 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.714 -15.858 3.130 1.00 0.00 H new ATOM 727 N PHE A 50 24.512 -7.899 6.150 1.00 0.00 N ATOM 728 CA PHE A 50 24.369 -6.737 7.019 1.00 0.00 C ATOM 729 C PHE A 50 23.002 -6.084 6.840 1.00 0.00 C ATOM 730 O PHE A 50 22.277 -6.384 5.890 1.00 0.00 O ATOM 731 CB PHE A 50 25.480 -5.721 6.736 1.00 0.00 C ATOM 732 CG PHE A 50 25.263 -4.926 5.481 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.563 -5.467 4.241 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.758 -3.638 5.541 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.363 -4.737 3.085 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.556 -2.903 4.389 1.00 0.00 C ATOM 737 CZ PHE A 50 24.859 -3.453 3.160 1.00 0.00 C ATOM 0 H PHE A 50 25.172 -7.774 5.383 1.00 0.00 H new ATOM 0 HA PHE A 50 24.453 -7.075 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.558 -5.036 7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.432 -6.247 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.958 -6.470 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.519 -3.203 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.600 -5.170 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.162 -1.899 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.702 -2.880 2.258 1.00 0.00 H new ATOM 747 N THR A 51 22.658 -5.190 7.763 1.00 0.00 N ATOM 748 CA THR A 51 21.379 -4.492 7.719 1.00 0.00 C ATOM 749 C THR A 51 21.426 -3.216 8.555 1.00 0.00 C ATOM 750 O THR A 51 21.208 -3.246 9.766 1.00 0.00 O ATOM 751 CB THR A 51 20.233 -5.390 8.228 1.00 0.00 C ATOM 752 OG1 THR A 51 20.083 -6.528 7.372 1.00 0.00 O ATOM 753 CG2 THR A 51 18.921 -4.620 8.287 1.00 0.00 C ATOM 0 H THR A 51 23.250 -4.932 8.552 1.00 0.00 H new ATOM 0 HA THR A 51 21.189 -4.234 6.677 1.00 0.00 H new ATOM 0 HB THR A 51 20.486 -5.722 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.609 -6.395 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.130 -5.277 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.027 -3.772 8.964 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.666 -4.259 7.291 1.00 0.00 H new ATOM 761 N LEU A 52 21.715 -2.096 7.900 1.00 0.00 N ATOM 762 CA LEU A 52 21.792 -0.808 8.579 1.00 0.00 C ATOM 763 C LEU A 52 20.413 -0.159 8.666 1.00 0.00 C ATOM 764 O LEU A 52 19.490 -0.543 7.948 1.00 0.00 O ATOM 765 CB LEU A 52 22.764 0.120 7.844 1.00 0.00 C ATOM 766 CG LEU A 52 22.931 1.510 8.462 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.337 1.683 9.017 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.622 2.589 7.436 1.00 0.00 C ATOM 0 H LEU A 52 21.900 -2.055 6.898 1.00 0.00 H new ATOM 0 HA LEU A 52 22.158 -0.976 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.741 -0.362 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.423 0.236 6.815 1.00 0.00 H new ATOM 0 HG LEU A 52 22.225 1.608 9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.437 2.677 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.520 0.931 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.063 1.565 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.746 3.571 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.303 2.493 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.595 2.477 7.088 1.00 0.00 H new ATOM 780 N ALA A 53 20.282 0.827 9.548 1.00 0.00 N ATOM 781 CA ALA A 53 19.019 1.532 9.728 1.00 0.00 C ATOM 782 C ALA A 53 19.243 3.038 9.806 1.00 0.00 C ATOM 783 O ALA A 53 20.277 3.545 9.369 1.00 0.00 O ATOM 784 CB ALA A 53 18.310 1.032 10.976 1.00 0.00 C ATOM 0 H ALA A 53 21.037 1.156 10.150 1.00 0.00 H new ATOM 0 HA ALA A 53 18.387 1.330 8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.368 1.567 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.111 -0.035 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.942 1.205 11.847 1.00 0.00 H new ATOM 790 N SER A 54 18.267 3.747 10.364 1.00 0.00 N ATOM 791 CA SER A 54 18.353 5.197 10.500 1.00 0.00 C ATOM 792 C SER A 54 19.625 5.605 11.238 1.00 0.00 C ATOM 793 O SER A 54 20.090 6.738 11.112 1.00 0.00 O ATOM 794 CB SER A 54 17.127 5.734 11.241 1.00 0.00 C ATOM 795 OG SER A 54 16.792 7.037 10.799 1.00 0.00 O ATOM 0 H SER A 54 17.406 3.340 10.730 1.00 0.00 H new ATOM 0 HA SER A 54 18.384 5.627 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.281 5.065 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.325 5.750 12.313 1.00 0.00 H new ATOM 0 HG SER A 54 16.004 7.356 11.287 1.00 0.00 H new ATOM 801 N GLY A 55 20.184 4.675 12.006 1.00 0.00 N ATOM 802 CA GLY A 55 21.398 4.959 12.751 1.00 0.00 C ATOM 803 C GLY A 55 21.896 3.759 13.532 1.00 0.00 C ATOM 804 O GLY A 55 22.361 3.896 14.664 1.00 0.00 O ATOM 0 H GLY A 55 19.819 3.730 12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.175 5.287 12.061 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.213 5.784 13.439 1.00 0.00 H new ATOM 808 N LYS A 56 21.798 2.581 12.925 1.00 0.00 N ATOM 809 CA LYS A 56 22.240 1.350 13.570 1.00 0.00 C ATOM 810 C LYS A 56 22.385 0.222 12.555 1.00 0.00 C ATOM 811 O LYS A 56 21.418 -0.166 11.899 1.00 0.00 O ATOM 812 CB LYS A 56 21.256 0.940 14.666 1.00 0.00 C ATOM 813 CG LYS A 56 21.914 0.249 15.848 1.00 0.00 C ATOM 814 CD LYS A 56 21.018 0.271 17.076 1.00 0.00 C ATOM 815 CE LYS A 56 21.342 -0.872 18.024 1.00 0.00 C ATOM 816 NZ LYS A 56 20.882 -0.590 19.412 1.00 0.00 N ATOM 0 H LYS A 56 21.417 2.453 11.988 1.00 0.00 H new ATOM 0 HA LYS A 56 23.216 1.538 14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.731 1.827 15.021 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.506 0.275 14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.146 -0.783 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.860 0.740 16.078 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.136 1.221 17.597 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.975 0.204 16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.871 -1.787 17.664 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.418 -1.047 18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.122 -1.394 20.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.351 0.269 19.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.852 -0.448 19.414 1.00 0.00 H new ATOM 830 N CYS A 57 23.600 -0.301 12.435 1.00 0.00 N ATOM 831 CA CYS A 57 23.879 -1.388 11.505 1.00 0.00 C ATOM 832 C CYS A 57 23.815 -2.733 12.221 1.00 0.00 C ATOM 833 O CYS A 57 24.086 -2.818 13.418 1.00 0.00 O ATOM 834 CB CYS A 57 25.255 -1.192 10.864 1.00 0.00 C ATOM 835 SG CYS A 57 26.044 -2.731 10.294 1.00 0.00 S ATOM 0 H CYS A 57 24.409 0.011 12.972 1.00 0.00 H new ATOM 0 HA CYS A 57 23.122 -1.379 10.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.155 -0.514 10.017 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.913 -0.706 11.585 1.00 0.00 H new ATOM 840 N SER A 58 23.450 -3.783 11.488 1.00 0.00 N ATOM 841 CA SER A 58 23.349 -5.119 12.067 1.00 0.00 C ATOM 842 C SER A 58 23.691 -6.192 11.037 1.00 0.00 C ATOM 843 O SER A 58 23.002 -6.339 10.030 1.00 0.00 O ATOM 844 CB SER A 58 21.942 -5.354 12.616 1.00 0.00 C ATOM 845 OG SER A 58 21.567 -4.328 13.518 1.00 0.00 O ATOM 0 H SER A 58 23.220 -3.734 10.495 1.00 0.00 H new ATOM 0 HA SER A 58 24.068 -5.186 12.884 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.230 -5.396 11.792 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.902 -6.319 13.121 1.00 0.00 H new ATOM 0 HG SER A 58 20.663 -4.502 13.853 1.00 0.00 H new ATOM 851 N LEU A 59 24.755 -6.942 11.302 1.00 0.00 N ATOM 852 CA LEU A 59 25.186 -8.004 10.399 1.00 0.00 C ATOM 853 C LEU A 59 24.644 -9.355 10.856 1.00 0.00 C ATOM 854 O LEU A 59 24.643 -9.663 12.048 1.00 0.00 O ATOM 855 CB LEU A 59 26.715 -8.052 10.317 1.00 0.00 C ATOM 856 CG LEU A 59 27.445 -7.030 11.193 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.847 -7.509 11.525 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.498 -5.679 10.503 1.00 0.00 C ATOM 0 H LEU A 59 25.335 -6.835 12.134 1.00 0.00 H new ATOM 0 HA LEU A 59 24.788 -7.787 9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.047 -9.051 10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.013 -7.897 9.280 1.00 0.00 H new ATOM 0 HG LEU A 59 26.890 -6.923 12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.347 -6.767 12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.790 -8.456 12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.412 -7.648 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.020 -4.965 11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.028 -5.775 9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.484 -5.325 10.317 1.00 0.00 H new ATOM 870 N PHE A 60 24.177 -10.154 9.901 1.00 0.00 N ATOM 871 CA PHE A 60 23.625 -11.470 10.206 1.00 0.00 C ATOM 872 C PHE A 60 24.312 -12.553 9.381 1.00 0.00 C ATOM 873 O PHE A 60 24.283 -12.523 8.150 1.00 0.00 O ATOM 874 CB PHE A 60 22.118 -11.484 9.943 1.00 0.00 C ATOM 875 CG PHE A 60 21.392 -10.328 10.572 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.264 -9.124 9.900 1.00 0.00 C ATOM 877 CD2 PHE A 60 20.845 -10.445 11.840 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.604 -8.058 10.478 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.184 -9.381 12.425 1.00 0.00 C ATOM 880 CZ PHE A 60 20.064 -8.185 11.742 1.00 0.00 C ATOM 0 H PHE A 60 24.170 -9.913 8.910 1.00 0.00 H new ATOM 0 HA PHE A 60 23.804 -11.679 11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 60 21.944 -11.471 8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.699 -12.416 10.322 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.686 -9.018 8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 60 20.936 -11.378 12.377 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.510 -7.125 9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.762 -9.484 13.414 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.549 -7.352 12.196 1.00 0.00 H new ATOM 890 N ALA A 61 24.931 -13.509 10.067 1.00 0.00 N ATOM 891 CA ALA A 61 25.629 -14.602 9.400 1.00 0.00 C ATOM 892 C ALA A 61 24.647 -15.615 8.818 1.00 0.00 C ATOM 893 O ALA A 61 24.233 -15.499 7.664 1.00 0.00 O ATOM 894 CB ALA A 61 26.585 -15.284 10.368 1.00 0.00 C ATOM 0 H ALA A 61 24.963 -13.548 11.086 1.00 0.00 H new ATOM 0 HA ALA A 61 26.202 -14.181 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.100 -16.098 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.317 -14.560 10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.024 -15.683 11.213 1.00 0.00 H new ATOM 900 N ASP A 62 24.279 -16.608 9.622 1.00 0.00 N ATOM 901 CA ASP A 62 23.349 -17.643 9.184 1.00 0.00 C ATOM 902 C ASP A 62 21.908 -17.147 9.253 1.00 0.00 C ATOM 903 O ASP A 62 21.646 -16.027 9.690 1.00 0.00 O ATOM 904 CB ASP A 62 23.509 -18.899 10.043 1.00 0.00 C ATOM 905 CG ASP A 62 23.891 -18.579 11.475 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.085 -17.927 12.172 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.996 -18.979 11.898 1.00 0.00 O ATOM 0 H ASP A 62 24.611 -16.718 10.580 1.00 0.00 H new ATOM 0 HA ASP A 62 23.580 -17.887 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.575 -19.461 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.271 -19.542 9.602 1.00 0.00 H new ATOM 912 N ASP A 63 20.978 -17.991 8.818 1.00 0.00 N ATOM 913 CA ASP A 63 19.562 -17.642 8.828 1.00 0.00 C ATOM 914 C ASP A 63 18.980 -17.772 10.232 1.00 0.00 C ATOM 915 O ASP A 63 18.661 -18.872 10.684 1.00 0.00 O ATOM 916 CB ASP A 63 18.788 -18.535 7.858 1.00 0.00 C ATOM 917 CG ASP A 63 19.287 -18.410 6.432 1.00 0.00 C ATOM 918 OD1 ASP A 63 20.395 -18.910 6.146 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.570 -17.813 5.602 1.00 0.00 O ATOM 0 H ASP A 63 21.180 -18.922 8.454 1.00 0.00 H new ATOM 0 HA ASP A 63 19.467 -16.604 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.871 -19.573 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.730 -18.274 7.894 1.00 0.00 H new ATOM 924 N ALA A 64 18.843 -16.640 10.916 1.00 0.00 N ATOM 925 CA ALA A 64 18.299 -16.622 12.269 1.00 0.00 C ATOM 926 C ALA A 64 16.798 -16.359 12.250 1.00 0.00 C ATOM 927 O ALA A 64 16.221 -15.924 13.247 1.00 0.00 O ATOM 928 CB ALA A 64 19.008 -15.572 13.106 1.00 0.00 C ATOM 0 H ALA A 64 19.102 -15.722 10.554 1.00 0.00 H new ATOM 0 HA ALA A 64 18.466 -17.602 12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.593 -15.569 14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 64 20.072 -15.802 13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.869 -14.590 12.653 1.00 0.00 H new ATOM 934 N ALA A 65 16.175 -16.626 11.107 1.00 0.00 N ATOM 935 CA ALA A 65 14.740 -16.421 10.945 1.00 0.00 C ATOM 936 C ALA A 65 14.358 -14.970 11.220 1.00 0.00 C ATOM 937 O ALA A 65 13.251 -14.685 11.678 1.00 0.00 O ATOM 938 CB ALA A 65 13.967 -17.360 11.859 1.00 0.00 C ATOM 0 H ALA A 65 16.644 -16.986 10.276 1.00 0.00 H new ATOM 0 HA ALA A 65 14.479 -16.645 9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.897 -17.196 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.210 -18.393 11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.240 -17.164 12.896 1.00 0.00 H new ATOM 944 N LEU A 66 15.281 -14.058 10.934 1.00 0.00 N ATOM 945 CA LEU A 66 15.041 -12.635 11.147 1.00 0.00 C ATOM 946 C LEU A 66 13.940 -12.126 10.223 1.00 0.00 C ATOM 947 O LEU A 66 13.977 -12.353 9.014 1.00 0.00 O ATOM 948 CB LEU A 66 16.327 -11.836 10.915 1.00 0.00 C ATOM 949 CG LEU A 66 17.212 -12.345 9.775 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.600 -11.204 8.846 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.453 -13.026 10.330 1.00 0.00 C ATOM 0 H LEU A 66 16.202 -14.278 10.554 1.00 0.00 H new ATOM 0 HA LEU A 66 14.719 -12.498 12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.060 -10.799 10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.910 -11.840 11.836 1.00 0.00 H new ATOM 0 HG LEU A 66 16.644 -13.076 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.229 -11.587 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.700 -10.758 8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.149 -10.448 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.072 -13.382 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.021 -12.315 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.157 -13.870 10.953 1.00 0.00 H new ATOM 963 N ARG A 67 12.960 -11.439 10.802 1.00 0.00 N ATOM 964 CA ARG A 67 11.847 -10.900 10.030 1.00 0.00 C ATOM 965 C ARG A 67 12.050 -9.413 9.748 1.00 0.00 C ATOM 966 O ARG A 67 12.826 -8.744 10.428 1.00 0.00 O ATOM 967 CB ARG A 67 10.529 -11.109 10.779 1.00 0.00 C ATOM 968 CG ARG A 67 9.975 -12.519 10.658 1.00 0.00 C ATOM 969 CD ARG A 67 9.063 -12.863 11.825 1.00 0.00 C ATOM 970 NE ARG A 67 9.717 -12.646 13.112 1.00 0.00 N ATOM 971 CZ ARG A 67 9.060 -12.528 14.263 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.735 -12.606 14.285 1.00 0.00 N ATOM 973 NH2 ARG A 67 9.727 -12.331 15.391 1.00 0.00 N ATOM 0 H ARG A 67 12.914 -11.243 11.802 1.00 0.00 H new ATOM 0 HA ARG A 67 11.807 -11.432 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.680 -10.876 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.790 -10.404 10.399 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.423 -12.615 9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.798 -13.232 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.160 -12.256 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.752 -13.905 11.747 1.00 0.00 H new ATOM 0 HE ARG A 67 10.735 -12.581 13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.219 -12.757 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.233 -12.515 15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.745 -12.270 15.377 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.222 -12.241 16.273 1.00 0.00 H new ATOM 987 N PRO A 68 11.345 -8.876 8.737 1.00 0.00 N ATOM 988 CA PRO A 68 11.447 -7.462 8.365 1.00 0.00 C ATOM 989 C PRO A 68 10.821 -6.542 9.407 1.00 0.00 C ATOM 990 O PRO A 68 10.296 -7.001 10.421 1.00 0.00 O ATOM 991 CB PRO A 68 10.670 -7.384 7.050 1.00 0.00 C ATOM 992 CG PRO A 68 9.697 -8.509 7.121 1.00 0.00 C ATOM 993 CD PRO A 68 10.391 -9.605 7.882 1.00 0.00 C ATOM 0 HA PRO A 68 12.484 -7.136 8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.161 -6.426 6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.333 -7.487 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.781 -8.202 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.414 -8.845 6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.688 -10.191 8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.900 -10.299 7.213 1.00 0.00 H new ATOM 1001 N THR A 69 10.880 -5.239 9.149 1.00 0.00 N ATOM 1002 CA THR A 69 10.317 -4.252 10.063 1.00 0.00 C ATOM 1003 C THR A 69 9.417 -3.271 9.320 1.00 0.00 C ATOM 1004 O THR A 69 9.021 -3.518 8.180 1.00 0.00 O ATOM 1005 CB THR A 69 11.422 -3.466 10.796 1.00 0.00 C ATOM 1006 OG1 THR A 69 11.994 -2.490 9.919 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.510 -4.402 11.298 1.00 0.00 C ATOM 0 H THR A 69 11.312 -4.843 8.314 1.00 0.00 H new ATOM 0 HA THR A 69 9.727 -4.800 10.798 1.00 0.00 H new ATOM 0 HB THR A 69 10.972 -2.965 11.653 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.304 -1.722 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.278 -3.824 11.812 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.077 -5.125 11.989 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.955 -4.928 10.454 1.00 0.00 H new ATOM 1015 N LYS A 70 9.093 -2.159 9.971 1.00 0.00 N ATOM 1016 CA LYS A 70 8.237 -1.141 9.371 1.00 0.00 C ATOM 1017 C LYS A 70 9.059 0.057 8.908 1.00 0.00 C ATOM 1018 O LYS A 70 8.527 0.991 8.307 1.00 0.00 O ATOM 1019 CB LYS A 70 7.168 -0.684 10.368 1.00 0.00 C ATOM 1020 CG LYS A 70 7.131 -1.503 11.649 1.00 0.00 C ATOM 1021 CD LYS A 70 6.314 -2.773 11.474 1.00 0.00 C ATOM 1022 CE LYS A 70 6.506 -3.723 12.645 1.00 0.00 C ATOM 1023 NZ LYS A 70 5.969 -5.081 12.353 1.00 0.00 N ATOM 0 H LYS A 70 9.410 -1.939 10.915 1.00 0.00 H new ATOM 0 HA LYS A 70 7.748 -1.583 8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.344 0.361 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.191 -0.735 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.147 -1.761 11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.706 -0.903 12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.258 -2.518 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.606 -3.270 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.567 -3.796 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.009 -3.318 13.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.120 -5.698 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.951 -5.016 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.461 -5.479 11.528 1.00 0.00 H new ATOM 1037 N SER A 71 10.357 0.023 9.192 1.00 0.00 N ATOM 1038 CA SER A 71 11.255 1.107 8.808 1.00 0.00 C ATOM 1039 C SER A 71 11.302 1.267 7.291 1.00 0.00 C ATOM 1040 O SER A 71 11.024 0.326 6.547 1.00 0.00 O ATOM 1041 CB SER A 71 12.662 0.848 9.349 1.00 0.00 C ATOM 1042 OG SER A 71 12.788 1.306 10.683 1.00 0.00 O ATOM 0 H SER A 71 10.811 -0.744 9.687 1.00 0.00 H new ATOM 0 HA SER A 71 10.871 2.031 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.881 -0.219 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.396 1.350 8.718 1.00 0.00 H new ATOM 0 HG SER A 71 13.696 1.127 11.006 1.00 0.00 H new ATOM 1048 N ASP A 72 11.659 2.466 6.841 1.00 0.00 N ATOM 1049 CA ASP A 72 11.747 2.754 5.414 1.00 0.00 C ATOM 1050 C ASP A 72 13.092 3.388 5.072 1.00 0.00 C ATOM 1051 O ASP A 72 13.618 3.199 3.976 1.00 0.00 O ATOM 1052 CB ASP A 72 10.608 3.683 4.986 1.00 0.00 C ATOM 1053 CG ASP A 72 9.931 3.218 3.712 1.00 0.00 C ATOM 1054 OD1 ASP A 72 9.286 2.149 3.737 1.00 0.00 O ATOM 1055 OD2 ASP A 72 10.044 3.924 2.688 1.00 0.00 O ATOM 0 H ASP A 72 11.892 3.254 7.445 1.00 0.00 H new ATOM 0 HA ASP A 72 11.659 1.812 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.870 3.741 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.999 4.690 4.840 1.00 0.00 H new ATOM 1060 N GLY A 73 13.642 4.141 6.022 1.00 0.00 N ATOM 1061 CA GLY A 73 14.921 4.791 5.804 1.00 0.00 C ATOM 1062 C GLY A 73 16.086 3.833 5.934 1.00 0.00 C ATOM 1063 O GLY A 73 17.201 4.138 5.507 1.00 0.00 O ATOM 0 H GLY A 73 13.225 4.312 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.933 5.240 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.040 5.603 6.522 1.00 0.00 H new ATOM 1067 N ALA A 74 15.830 2.669 6.525 1.00 0.00 N ATOM 1068 CA ALA A 74 16.865 1.660 6.710 1.00 0.00 C ATOM 1069 C ALA A 74 17.320 1.087 5.372 1.00 0.00 C ATOM 1070 O ALA A 74 16.715 1.353 4.333 1.00 0.00 O ATOM 1071 CB ALA A 74 16.358 0.546 7.613 1.00 0.00 C ATOM 0 H ALA A 74 14.913 2.402 6.884 1.00 0.00 H new ATOM 0 HA ALA A 74 17.723 2.139 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.141 -0.201 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.086 0.960 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.483 0.080 7.160 1.00 0.00 H new ATOM 1077 N VAL A 75 18.387 0.298 5.408 1.00 0.00 N ATOM 1078 CA VAL A 75 18.926 -0.319 4.203 1.00 0.00 C ATOM 1079 C VAL A 75 19.679 -1.603 4.542 1.00 0.00 C ATOM 1080 O VAL A 75 20.471 -1.639 5.484 1.00 0.00 O ATOM 1081 CB VAL A 75 19.870 0.643 3.454 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.979 1.132 4.372 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.447 -0.027 2.216 1.00 0.00 C ATOM 0 H VAL A 75 18.897 0.070 6.261 1.00 0.00 H new ATOM 0 HA VAL A 75 18.081 -0.556 3.556 1.00 0.00 H new ATOM 0 HB VAL A 75 19.291 1.509 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.633 1.809 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.543 1.658 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.557 0.280 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.110 0.668 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 75 21.009 -0.914 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.636 -0.316 1.548 1.00 0.00 H new ATOM 1093 N SER A 76 19.424 -2.656 3.773 1.00 0.00 N ATOM 1094 CA SER A 76 20.076 -3.941 3.998 1.00 0.00 C ATOM 1095 C SER A 76 20.617 -4.517 2.694 1.00 0.00 C ATOM 1096 O SER A 76 20.277 -4.049 1.608 1.00 0.00 O ATOM 1097 CB SER A 76 19.099 -4.928 4.638 1.00 0.00 C ATOM 1098 OG SER A 76 17.756 -4.526 4.428 1.00 0.00 O ATOM 0 H SER A 76 18.771 -2.645 2.989 1.00 0.00 H new ATOM 0 HA SER A 76 20.914 -3.778 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.254 -5.922 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.298 -4.999 5.707 1.00 0.00 H new ATOM 0 HG SER A 76 17.332 -4.338 5.291 1.00 0.00 H new ATOM 1104 N GLY A 77 21.461 -5.539 2.812 1.00 0.00 N ATOM 1105 CA GLY A 77 22.036 -6.167 1.637 1.00 0.00 C ATOM 1106 C GLY A 77 23.042 -7.245 1.989 1.00 0.00 C ATOM 1107 O GLY A 77 23.106 -7.692 3.136 1.00 0.00 O ATOM 0 H GLY A 77 21.756 -5.943 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.239 -6.602 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.521 -5.408 1.024 1.00 0.00 H new