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= -0.474 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.491 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 127:sc= -2.04 USER MOD Single : A 35 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.00902 K(o=0.009,f=-0.52) 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 -11:sc= -0.41 USER MOD Single : A 54 SER OG : rot 86:sc= 0.408 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00461 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.129 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 -134:sc= 0.0487 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 14.387 -1.784 4.163 1.00 0.00 N ATOM 269 CA VAL A 18 13.674 -2.135 5.385 1.00 0.00 C ATOM 270 C VAL A 18 14.627 -2.687 6.440 1.00 0.00 C ATOM 271 O VAL A 18 15.560 -3.426 6.123 1.00 0.00 O ATOM 272 CB VAL A 18 12.565 -3.171 5.108 1.00 0.00 C ATOM 273 CG1 VAL A 18 13.156 -4.453 4.544 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.767 -3.452 6.373 1.00 0.00 C ATOM 0 HA VAL A 18 13.218 -1.220 5.762 1.00 0.00 H new ATOM 0 HB VAL A 18 11.886 -2.756 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.357 -5.170 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.675 -4.235 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.861 -4.875 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.990 -4.185 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.432 -3.844 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.307 -2.529 6.726 1.00 0.00 H new ATOM 284 N SER A 19 14.385 -2.325 7.697 1.00 0.00 N ATOM 285 CA SER A 19 15.220 -2.786 8.800 1.00 0.00 C ATOM 286 C SER A 19 14.859 -4.214 9.193 1.00 0.00 C ATOM 287 O SER A 19 13.799 -4.720 8.821 1.00 0.00 O ATOM 288 CB SER A 19 15.069 -1.858 10.007 1.00 0.00 C ATOM 289 OG SER A 19 13.837 -1.160 9.963 1.00 0.00 O ATOM 0 H SER A 19 13.617 -1.714 7.976 1.00 0.00 H new ATOM 0 HA SER A 19 16.258 -2.770 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.128 -2.440 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.894 -1.145 10.027 1.00 0.00 H new ATOM 0 HG SER A 19 13.764 -0.575 10.746 1.00 0.00 H new ATOM 295 N PHE A 20 15.745 -4.861 9.944 1.00 0.00 N ATOM 296 CA PHE A 20 15.516 -6.231 10.382 1.00 0.00 C ATOM 297 C PHE A 20 15.384 -6.307 11.900 1.00 0.00 C ATOM 298 O PHE A 20 15.892 -5.447 12.620 1.00 0.00 O ATOM 299 CB PHE A 20 16.656 -7.132 9.910 1.00 0.00 C ATOM 300 CG PHE A 20 16.404 -7.771 8.572 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.155 -8.282 8.254 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.417 -7.855 7.631 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.923 -8.867 7.024 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.192 -8.438 6.400 1.00 0.00 C ATOM 305 CZ PHE A 20 15.944 -8.945 6.096 1.00 0.00 C ATOM 0 H PHE A 20 16.627 -4.458 10.261 1.00 0.00 H new ATOM 0 HA PHE A 20 14.581 -6.576 9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.573 -6.545 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.821 -7.914 10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.354 -8.222 8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.395 -7.460 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.946 -9.262 6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.991 -8.497 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.766 -9.402 5.134 1.00 0.00 H new ATOM 315 N THR A 21 14.699 -7.341 12.377 1.00 0.00 N ATOM 316 CA THR A 21 14.500 -7.530 13.810 1.00 0.00 C ATOM 317 C THR A 21 14.128 -8.973 14.128 1.00 0.00 C ATOM 318 O THR A 21 13.894 -9.777 13.225 1.00 0.00 O ATOM 319 CB THR A 21 13.401 -6.594 14.352 1.00 0.00 C ATOM 320 OG1 THR A 21 13.071 -6.947 15.700 1.00 0.00 O ATOM 321 CG2 THR A 21 12.153 -6.666 13.484 1.00 0.00 C ATOM 0 H THR A 21 14.273 -8.061 11.793 1.00 0.00 H new ATOM 0 HA THR A 21 15.445 -7.288 14.296 1.00 0.00 H new ATOM 0 HB THR A 21 13.784 -5.574 14.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.374 -6.345 16.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.391 -5.998 13.886 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.400 -6.365 12.466 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.772 -7.687 13.478 1.00 0.00 H new ATOM 329 N GLY A 22 14.077 -9.295 15.416 1.00 0.00 N ATOM 330 CA GLY A 22 13.735 -10.641 15.833 1.00 0.00 C ATOM 331 C GLY A 22 14.943 -11.556 15.885 1.00 0.00 C ATOM 332 O GLY A 22 15.204 -12.192 16.906 1.00 0.00 O ATOM 0 H GLY A 22 14.267 -8.646 16.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.267 -10.606 16.817 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.998 -11.055 15.145 1.00 0.00 H new ATOM 336 N GLY A 23 15.680 -11.621 14.782 1.00 0.00 N ATOM 337 CA GLY A 23 16.858 -12.466 14.725 1.00 0.00 C ATOM 338 C GLY A 23 17.970 -11.970 15.629 1.00 0.00 C ATOM 339 O GLY A 23 17.871 -10.889 16.208 1.00 0.00 O ATOM 0 H GLY A 23 15.483 -11.103 13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.587 -13.482 15.011 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.221 -12.510 13.698 1.00 0.00 H new ATOM 343 N LYS A 24 19.030 -12.763 15.750 1.00 0.00 N ATOM 344 CA LYS A 24 20.166 -12.398 16.591 1.00 0.00 C ATOM 345 C LYS A 24 21.355 -11.967 15.740 1.00 0.00 C ATOM 346 O LYS A 24 22.054 -12.801 15.162 1.00 0.00 O ATOM 347 CB LYS A 24 20.566 -13.570 17.492 1.00 0.00 C ATOM 348 CG LYS A 24 19.864 -14.875 17.155 1.00 0.00 C ATOM 349 CD LYS A 24 18.524 -14.987 17.865 1.00 0.00 C ATOM 350 CE LYS A 24 17.781 -16.249 17.458 1.00 0.00 C ATOM 351 NZ LYS A 24 16.751 -16.636 18.461 1.00 0.00 N ATOM 0 H LYS A 24 19.127 -13.662 15.277 1.00 0.00 H new ATOM 0 HA LYS A 24 19.864 -11.558 17.217 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.643 -13.719 17.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.349 -13.309 18.528 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.712 -14.940 16.078 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.499 -15.715 17.439 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.682 -14.988 18.944 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.914 -14.114 17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.304 -16.093 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.493 -17.065 17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.267 -17.501 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.208 -16.810 19.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.057 -15.868 18.560 1.00 0.00 H new ATOM 365 N ALA A 25 21.579 -10.660 15.667 1.00 0.00 N ATOM 366 CA ALA A 25 22.683 -10.114 14.886 1.00 0.00 C ATOM 367 C ALA A 25 24.028 -10.502 15.492 1.00 0.00 C ATOM 368 O ALA A 25 24.308 -10.193 16.651 1.00 0.00 O ATOM 369 CB ALA A 25 22.564 -8.599 14.790 1.00 0.00 C ATOM 0 H ALA A 25 21.010 -9.958 16.140 1.00 0.00 H new ATOM 0 HA ALA A 25 22.629 -10.536 13.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.395 -8.205 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.623 -8.338 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.589 -8.168 15.791 1.00 0.00 H new ATOM 375 N ILE A 26 24.859 -11.173 14.700 1.00 0.00 N ATOM 376 CA ILE A 26 26.177 -11.594 15.158 1.00 0.00 C ATOM 377 C ILE A 26 27.009 -10.389 15.573 1.00 0.00 C ATOM 378 O ILE A 26 27.941 -10.504 16.370 1.00 0.00 O ATOM 379 CB ILE A 26 26.934 -12.373 14.064 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.187 -11.477 12.849 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.152 -13.614 13.661 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.618 -11.000 12.732 1.00 0.00 C ATOM 0 H ILE A 26 24.642 -11.436 13.739 1.00 0.00 H new ATOM 0 HA ILE A 26 26.025 -12.250 16.015 1.00 0.00 H new ATOM 0 HB ILE A 26 27.897 -12.688 14.464 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.920 -12.023 11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.528 -10.611 12.904 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.699 -14.154 12.888 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.020 -14.259 14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.176 -13.320 13.276 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.721 -10.371 11.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.884 -10.425 13.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.282 -11.860 12.644 1.00 0.00 H new ATOM 394 N SER A 27 26.660 -9.232 15.023 1.00 0.00 N ATOM 395 CA SER A 27 27.361 -7.992 15.320 1.00 0.00 C ATOM 396 C SER A 27 26.570 -6.799 14.813 1.00 0.00 C ATOM 397 O SER A 27 25.832 -6.901 13.834 1.00 0.00 O ATOM 398 CB SER A 27 28.753 -8.007 14.695 1.00 0.00 C ATOM 399 OG SER A 27 29.647 -7.176 15.414 1.00 0.00 O ATOM 0 H SER A 27 25.889 -9.128 14.364 1.00 0.00 H new ATOM 0 HA SER A 27 27.464 -7.905 16.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.136 -9.028 14.677 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.693 -7.671 13.660 1.00 0.00 H new ATOM 0 HG SER A 27 30.531 -7.206 14.993 1.00 0.00 H new ATOM 405 N GLU A 28 26.722 -5.670 15.489 1.00 0.00 N ATOM 406 CA GLU A 28 26.014 -4.456 15.115 1.00 0.00 C ATOM 407 C GLU A 28 26.936 -3.247 15.190 1.00 0.00 C ATOM 408 O GLU A 28 27.750 -3.128 16.106 1.00 0.00 O ATOM 409 CB GLU A 28 24.809 -4.247 16.031 1.00 0.00 C ATOM 410 CG GLU A 28 24.385 -5.502 16.781 1.00 0.00 C ATOM 411 CD GLU A 28 24.125 -5.242 18.251 1.00 0.00 C ATOM 412 OE1 GLU A 28 25.072 -4.839 18.960 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.975 -5.442 18.695 1.00 0.00 O ATOM 0 H GLU A 28 27.331 -5.570 16.301 1.00 0.00 H new ATOM 0 HA GLU A 28 25.669 -4.565 14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.044 -3.465 16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.969 -3.889 15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.483 -5.908 16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.162 -6.260 16.682 1.00 0.00 H new ATOM 420 N ALA A 29 26.803 -2.351 14.220 1.00 0.00 N ATOM 421 CA ALA A 29 27.625 -1.147 14.175 1.00 0.00 C ATOM 422 C ALA A 29 26.766 0.110 14.180 1.00 0.00 C ATOM 423 O ALA A 29 26.269 0.537 13.138 1.00 0.00 O ATOM 424 CB ALA A 29 28.522 -1.167 12.948 1.00 0.00 C ATOM 0 H ALA A 29 26.134 -2.435 13.454 1.00 0.00 H new ATOM 0 HA ALA A 29 28.247 -1.132 15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.130 -0.263 12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.173 -2.041 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.908 -1.212 12.049 1.00 0.00 H new ATOM 430 N LYS A 30 26.597 0.703 15.358 1.00 0.00 N ATOM 431 CA LYS A 30 25.801 1.918 15.495 1.00 0.00 C ATOM 432 C LYS A 30 26.358 3.027 14.610 1.00 0.00 C ATOM 433 O LYS A 30 27.262 3.760 15.011 1.00 0.00 O ATOM 434 CB LYS A 30 25.774 2.374 16.955 1.00 0.00 C ATOM 435 CG LYS A 30 24.809 1.582 17.823 1.00 0.00 C ATOM 436 CD LYS A 30 24.705 2.170 19.220 1.00 0.00 C ATOM 437 CE LYS A 30 23.294 2.650 19.519 1.00 0.00 C ATOM 438 NZ LYS A 30 23.171 3.185 20.903 1.00 0.00 N ATOM 0 H LYS A 30 27.000 0.362 16.231 1.00 0.00 H new ATOM 0 HA LYS A 30 24.782 1.698 15.176 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.778 2.289 17.372 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.501 3.429 16.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.824 1.572 17.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.142 0.546 17.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.998 1.420 19.954 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.402 3.002 19.318 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.015 3.424 18.804 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.594 1.825 19.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.194 3.502 21.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.413 2.439 21.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.820 3.988 21.024 1.00 0.00 H new ATOM 452 N ALA A 31 25.817 3.140 13.402 1.00 0.00 N ATOM 453 CA ALA A 31 26.266 4.153 12.455 1.00 0.00 C ATOM 454 C ALA A 31 25.085 4.878 11.819 1.00 0.00 C ATOM 455 O ALA A 31 24.012 4.302 11.641 1.00 0.00 O ATOM 456 CB ALA A 31 27.132 3.514 11.379 1.00 0.00 C ATOM 0 H ALA A 31 25.067 2.542 13.056 1.00 0.00 H new ATOM 0 HA ALA A 31 26.857 4.889 13.001 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.463 4.279 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.001 3.046 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.553 2.759 10.847 1.00 0.00 H new ATOM 462 N ALA A 32 25.296 6.144 11.473 1.00 0.00 N ATOM 463 CA ALA A 32 24.253 6.950 10.850 1.00 0.00 C ATOM 464 C ALA A 32 24.283 6.796 9.334 1.00 0.00 C ATOM 465 O ALA A 32 23.459 7.375 8.625 1.00 0.00 O ATOM 466 CB ALA A 32 24.413 8.411 11.240 1.00 0.00 C ATOM 0 H ALA A 32 26.180 6.633 11.614 1.00 0.00 H new ATOM 0 HA ALA A 32 23.286 6.597 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.628 9.002 10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.339 8.509 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.387 8.771 10.909 1.00 0.00 H new ATOM 472 N SER A 33 25.239 6.013 8.843 1.00 0.00 N ATOM 473 CA SER A 33 25.380 5.779 7.412 1.00 0.00 C ATOM 474 C SER A 33 25.852 4.355 7.140 1.00 0.00 C ATOM 475 O SER A 33 26.732 3.840 7.830 1.00 0.00 O ATOM 476 CB SER A 33 26.365 6.781 6.804 1.00 0.00 C ATOM 477 OG SER A 33 27.529 6.901 7.604 1.00 0.00 O ATOM 0 H SER A 33 25.929 5.529 9.418 1.00 0.00 H new ATOM 0 HA SER A 33 24.403 5.915 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.642 6.460 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.885 7.755 6.707 1.00 0.00 H new ATOM 0 HG SER A 33 28.143 7.545 7.194 1.00 0.00 H new ATOM 483 N SER A 34 25.259 3.725 6.131 1.00 0.00 N ATOM 484 CA SER A 34 25.614 2.359 5.765 1.00 0.00 C ATOM 485 C SER A 34 27.103 2.242 5.457 1.00 0.00 C ATOM 486 O SER A 34 27.697 1.176 5.616 1.00 0.00 O ATOM 487 CB SER A 34 24.802 1.908 4.552 1.00 0.00 C ATOM 488 OG SER A 34 23.511 2.496 4.553 1.00 0.00 O ATOM 0 H SER A 34 24.529 4.140 5.552 1.00 0.00 H new ATOM 0 HA SER A 34 25.384 1.715 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.328 2.180 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.710 0.822 4.556 1.00 0.00 H new ATOM 0 HG SER A 34 23.353 2.940 3.694 1.00 0.00 H new ATOM 494 N GLN A 35 27.696 3.346 5.013 1.00 0.00 N ATOM 495 CA GLN A 35 29.116 3.371 4.678 1.00 0.00 C ATOM 496 C GLN A 35 29.955 2.842 5.837 1.00 0.00 C ATOM 497 O GLN A 35 30.852 2.021 5.643 1.00 0.00 O ATOM 498 CB GLN A 35 29.541 4.797 4.312 1.00 0.00 C ATOM 499 CG GLN A 35 31.002 5.105 4.602 1.00 0.00 C ATOM 500 CD GLN A 35 31.935 4.580 3.528 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.658 5.344 2.891 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.921 3.267 3.322 1.00 0.00 N ATOM 0 H GLN A 35 27.215 4.235 4.877 1.00 0.00 H new ATOM 0 HA GLN A 35 29.283 2.722 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.350 4.960 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.917 5.502 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.130 6.184 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.278 4.668 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.305 2.671 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.527 2.856 2.612 1.00 0.00 H new ATOM 511 N ALA A 36 29.654 3.312 7.040 1.00 0.00 N ATOM 512 CA ALA A 36 30.376 2.882 8.230 1.00 0.00 C ATOM 513 C ALA A 36 30.102 1.412 8.524 1.00 0.00 C ATOM 514 O ALA A 36 30.950 0.710 9.075 1.00 0.00 O ATOM 515 CB ALA A 36 29.994 3.744 9.423 1.00 0.00 C ATOM 0 H ALA A 36 28.914 3.992 7.218 1.00 0.00 H new ATOM 0 HA ALA A 36 31.444 3.000 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.542 3.410 10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.242 4.785 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.923 3.656 9.607 1.00 0.00 H new ATOM 521 N CYS A 37 28.915 0.953 8.141 1.00 0.00 N ATOM 522 CA CYS A 37 28.528 -0.436 8.352 1.00 0.00 C ATOM 523 C CYS A 37 29.187 -1.330 7.308 1.00 0.00 C ATOM 524 O CYS A 37 29.327 -2.537 7.505 1.00 0.00 O ATOM 525 CB CYS A 37 27.006 -0.582 8.284 1.00 0.00 C ATOM 526 SG CYS A 37 26.418 -2.308 8.273 1.00 0.00 S ATOM 0 H CYS A 37 28.205 1.524 7.683 1.00 0.00 H new ATOM 0 HA CYS A 37 28.864 -0.743 9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.565 -0.065 9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.644 -0.081 7.386 1.00 0.00 H new ATOM 531 N GLN A 38 29.597 -0.722 6.198 1.00 0.00 N ATOM 532 CA GLN A 38 30.250 -1.454 5.120 1.00 0.00 C ATOM 533 C GLN A 38 31.690 -1.782 5.494 1.00 0.00 C ATOM 534 O GLN A 38 32.151 -2.907 5.301 1.00 0.00 O ATOM 535 CB GLN A 38 30.218 -0.637 3.827 1.00 0.00 C ATOM 536 CG GLN A 38 28.837 -0.542 3.199 1.00 0.00 C ATOM 537 CD GLN A 38 28.641 -1.537 2.072 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.517 -1.716 1.226 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.484 -2.190 2.054 1.00 0.00 N ATOM 0 H GLN A 38 29.488 0.277 6.023 1.00 0.00 H new ATOM 0 HA GLN A 38 29.709 -2.387 4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.583 0.369 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.905 -1.084 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.081 -0.712 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.683 0.468 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.786 -2.010 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.294 -2.871 1.319 1.00 0.00 H new ATOM 548 N GLU A 39 32.393 -0.793 6.040 1.00 0.00 N ATOM 549 CA GLU A 39 33.780 -0.981 6.450 1.00 0.00 C ATOM 550 C GLU A 39 33.852 -1.872 7.683 1.00 0.00 C ATOM 551 O GLU A 39 34.751 -2.703 7.812 1.00 0.00 O ATOM 552 CB GLU A 39 34.436 0.369 6.740 1.00 0.00 C ATOM 553 CG GLU A 39 34.998 1.052 5.503 1.00 0.00 C ATOM 554 CD GLU A 39 36.422 0.630 5.199 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.248 0.611 6.137 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.712 0.319 4.026 1.00 0.00 O ATOM 0 H GLU A 39 32.026 0.144 6.208 1.00 0.00 H new ATOM 0 HA GLU A 39 34.318 -1.465 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.703 1.027 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.240 0.225 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.364 0.822 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.965 2.132 5.643 1.00 0.00 H new ATOM 563 N LEU A 40 32.889 -1.698 8.580 1.00 0.00 N ATOM 564 CA LEU A 40 32.824 -2.488 9.802 1.00 0.00 C ATOM 565 C LEU A 40 32.589 -3.958 9.469 1.00 0.00 C ATOM 566 O LEU A 40 33.352 -4.831 9.883 1.00 0.00 O ATOM 567 CB LEU A 40 31.705 -1.956 10.710 1.00 0.00 C ATOM 568 CG LEU A 40 31.378 -2.799 11.952 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.308 -3.832 11.631 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.624 -3.474 12.504 1.00 0.00 C ATOM 0 H LEU A 40 32.139 -1.013 8.483 1.00 0.00 H new ATOM 0 HA LEU A 40 33.774 -2.403 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.979 -0.954 11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.798 -1.859 10.114 1.00 0.00 H new ATOM 0 HG LEU A 40 30.993 -2.128 12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.090 -4.419 12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.401 -3.326 11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.665 -4.492 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.360 -4.063 13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.051 -4.128 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.356 -2.716 12.782 1.00 0.00 H new ATOM 582 N CYS A 41 31.527 -4.218 8.716 1.00 0.00 N ATOM 583 CA CYS A 41 31.180 -5.576 8.317 1.00 0.00 C ATOM 584 C CYS A 41 32.335 -6.239 7.573 1.00 0.00 C ATOM 585 O CYS A 41 32.527 -7.452 7.659 1.00 0.00 O ATOM 586 CB CYS A 41 29.934 -5.552 7.435 1.00 0.00 C ATOM 587 SG CYS A 41 28.807 -6.960 7.686 1.00 0.00 S ATOM 0 H CYS A 41 30.889 -3.502 8.368 1.00 0.00 H new ATOM 0 HA CYS A 41 30.977 -6.158 9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.388 -4.627 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.244 -5.532 6.390 1.00 0.00 H new ATOM 592 N GLU A 42 33.102 -5.435 6.842 1.00 0.00 N ATOM 593 CA GLU A 42 34.238 -5.944 6.082 1.00 0.00 C ATOM 594 C GLU A 42 35.306 -6.514 7.009 1.00 0.00 C ATOM 595 O GLU A 42 36.004 -7.465 6.659 1.00 0.00 O ATOM 596 CB GLU A 42 34.838 -4.833 5.218 1.00 0.00 C ATOM 597 CG GLU A 42 34.262 -4.776 3.814 1.00 0.00 C ATOM 598 CD GLU A 42 35.292 -4.372 2.777 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.539 -3.158 2.627 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.853 -5.271 2.115 1.00 0.00 O ATOM 0 H GLU A 42 32.957 -4.429 6.760 1.00 0.00 H new ATOM 0 HA GLU A 42 33.879 -6.746 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.673 -3.874 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.917 -4.977 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.853 -5.752 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.434 -4.067 3.793 1.00 0.00 H new ATOM 607 N LYS A 43 35.430 -5.925 8.195 1.00 0.00 N ATOM 608 CA LYS A 43 36.416 -6.373 9.173 1.00 0.00 C ATOM 609 C LYS A 43 35.847 -7.481 10.054 1.00 0.00 C ATOM 610 O LYS A 43 36.346 -7.732 11.152 1.00 0.00 O ATOM 611 CB LYS A 43 36.873 -5.200 10.041 1.00 0.00 C ATOM 612 CG LYS A 43 37.579 -4.104 9.259 1.00 0.00 C ATOM 613 CD LYS A 43 39.068 -4.069 9.567 1.00 0.00 C ATOM 614 CE LYS A 43 39.887 -3.754 8.326 1.00 0.00 C ATOM 615 NZ LYS A 43 41.100 -4.612 8.229 1.00 0.00 N ATOM 0 H LYS A 43 34.860 -5.137 8.502 1.00 0.00 H new ATOM 0 HA LYS A 43 37.273 -6.771 8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.007 -4.774 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.543 -5.572 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.431 -4.265 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.134 -3.139 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.264 -3.319 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.379 -5.031 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.270 -3.895 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.184 -2.705 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.631 -4.366 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.701 -4.459 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.816 -5.611 8.186 1.00 0.00 H new ATOM 629 N ASP A 44 34.800 -8.141 9.567 1.00 0.00 N ATOM 630 CA ASP A 44 34.166 -9.222 10.311 1.00 0.00 C ATOM 631 C ASP A 44 34.091 -10.493 9.470 1.00 0.00 C ATOM 632 O ASP A 44 33.804 -10.441 8.274 1.00 0.00 O ATOM 633 CB ASP A 44 32.761 -8.809 10.755 1.00 0.00 C ATOM 634 CG ASP A 44 32.640 -8.698 12.263 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.432 -7.945 12.867 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.754 -9.364 12.838 1.00 0.00 O ATOM 0 H ASP A 44 34.374 -7.946 8.661 1.00 0.00 H new ATOM 0 HA ASP A 44 34.774 -9.426 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.507 -7.851 10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.038 -9.538 10.388 1.00 0.00 H new ATOM 641 N ALA A 45 34.353 -11.633 10.103 1.00 0.00 N ATOM 642 CA ALA A 45 34.317 -12.917 9.415 1.00 0.00 C ATOM 643 C ALA A 45 32.905 -13.494 9.400 1.00 0.00 C ATOM 644 O ALA A 45 32.494 -14.132 8.431 1.00 0.00 O ATOM 645 CB ALA A 45 35.282 -13.894 10.069 1.00 0.00 C ATOM 0 H ALA A 45 34.593 -11.692 11.093 1.00 0.00 H new ATOM 0 HA ALA A 45 34.625 -12.756 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.244 -14.849 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.294 -13.493 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.000 -14.041 11.111 1.00 0.00 H new ATOM 651 N LYS A 46 32.168 -13.264 10.483 1.00 0.00 N ATOM 652 CA LYS A 46 30.800 -13.759 10.597 1.00 0.00 C ATOM 653 C LYS A 46 29.824 -12.827 9.889 1.00 0.00 C ATOM 654 O LYS A 46 28.608 -12.990 9.991 1.00 0.00 O ATOM 655 CB LYS A 46 30.411 -13.902 12.070 1.00 0.00 C ATOM 656 CG LYS A 46 30.920 -15.182 12.712 1.00 0.00 C ATOM 657 CD LYS A 46 29.975 -16.346 12.459 1.00 0.00 C ATOM 658 CE LYS A 46 29.404 -16.893 13.758 1.00 0.00 C ATOM 659 NZ LYS A 46 28.826 -18.254 13.580 1.00 0.00 N ATOM 0 H LYS A 46 32.495 -12.738 11.294 1.00 0.00 H new ATOM 0 HA LYS A 46 30.751 -14.737 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 46 30.800 -13.048 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.325 -13.870 12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.907 -15.421 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.034 -15.031 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.161 -16.021 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.505 -17.139 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.189 -16.928 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 46 28.634 -16.217 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 28.447 -18.592 14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 28.060 -18.217 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 29.567 -18.905 13.250 1.00 0.00 H new ATOM 673 N CYS A 47 30.365 -11.850 9.169 1.00 0.00 N ATOM 674 CA CYS A 47 29.545 -10.890 8.440 1.00 0.00 C ATOM 675 C CYS A 47 29.241 -11.391 7.032 1.00 0.00 C ATOM 676 O CYS A 47 30.145 -11.776 6.291 1.00 0.00 O ATOM 677 CB CYS A 47 30.253 -9.534 8.372 1.00 0.00 C ATOM 678 SG CYS A 47 29.818 -8.539 6.909 1.00 0.00 S ATOM 0 H CYS A 47 31.370 -11.702 9.075 1.00 0.00 H new ATOM 0 HA CYS A 47 28.602 -10.774 8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 47 30.012 -8.965 9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.331 -9.698 8.379 1.00 0.00 H new ATOM 683 N ARG A 48 27.962 -11.383 6.670 1.00 0.00 N ATOM 684 CA ARG A 48 27.538 -11.836 5.350 1.00 0.00 C ATOM 685 C ARG A 48 26.380 -10.988 4.832 1.00 0.00 C ATOM 686 O ARG A 48 26.462 -10.401 3.752 1.00 0.00 O ATOM 687 CB ARG A 48 27.122 -13.308 5.402 1.00 0.00 C ATOM 688 CG ARG A 48 28.002 -14.218 4.560 1.00 0.00 C ATOM 689 CD ARG A 48 28.857 -15.127 5.427 1.00 0.00 C ATOM 690 NE ARG A 48 30.264 -15.092 5.036 1.00 0.00 N ATOM 691 CZ ARG A 48 31.219 -15.777 5.656 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.921 -16.549 6.693 1.00 0.00 N ATOM 693 NH2 ARG A 48 32.475 -15.693 5.240 1.00 0.00 N ATOM 0 H ARG A 48 27.201 -11.068 7.272 1.00 0.00 H new ATOM 0 HA ARG A 48 28.381 -11.727 4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.147 -13.648 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.090 -13.398 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.377 -14.823 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.645 -13.613 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.763 -14.826 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.486 -16.150 5.356 1.00 0.00 H new ATOM 0 HE ARG A 48 30.528 -14.509 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.956 -16.618 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.657 -17.073 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.710 -15.102 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.207 -16.220 5.717 1.00 0.00 H new ATOM 707 N PHE A 49 25.305 -10.924 5.612 1.00 0.00 N ATOM 708 CA PHE A 49 24.131 -10.145 5.235 1.00 0.00 C ATOM 709 C PHE A 49 23.912 -8.990 6.207 1.00 0.00 C ATOM 710 O PHE A 49 23.168 -9.118 7.180 1.00 0.00 O ATOM 711 CB PHE A 49 22.888 -11.038 5.199 1.00 0.00 C ATOM 712 CG PHE A 49 23.097 -12.335 4.472 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.308 -12.352 3.102 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.080 -13.539 5.158 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.498 -13.544 2.430 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.271 -14.735 4.492 1.00 0.00 C ATOM 717 CZ PHE A 49 23.479 -14.737 3.126 1.00 0.00 C ATOM 0 H PHE A 49 25.223 -11.402 6.509 1.00 0.00 H new ATOM 0 HA PHE A 49 24.303 -9.734 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.575 -11.251 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.073 -10.492 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.324 -11.422 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.916 -13.543 6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.661 -13.543 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.258 -15.666 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.627 -15.670 2.603 1.00 0.00 H new ATOM 727 N PHE A 50 24.564 -7.864 5.938 1.00 0.00 N ATOM 728 CA PHE A 50 24.440 -6.688 6.790 1.00 0.00 C ATOM 729 C PHE A 50 23.052 -6.066 6.660 1.00 0.00 C ATOM 730 O PHE A 50 22.328 -6.335 5.701 1.00 0.00 O ATOM 731 CB PHE A 50 25.516 -5.658 6.433 1.00 0.00 C ATOM 732 CG PHE A 50 25.152 -4.778 5.272 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.177 -5.270 3.977 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.784 -3.459 5.477 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.841 -4.462 2.907 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.448 -2.645 4.413 1.00 0.00 C ATOM 737 CZ PHE A 50 24.477 -3.146 3.126 1.00 0.00 C ATOM 0 H PHE A 50 25.183 -7.741 5.137 1.00 0.00 H new ATOM 0 HA PHE A 50 24.579 -7.001 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.710 -5.032 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.444 -6.181 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.462 -6.297 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.759 -3.062 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.863 -4.858 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.163 -1.618 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.216 -2.511 2.292 1.00 0.00 H new ATOM 747 N THR A 51 22.688 -5.234 7.632 1.00 0.00 N ATOM 748 CA THR A 51 21.388 -4.575 7.628 1.00 0.00 C ATOM 749 C THR A 51 21.406 -3.319 8.498 1.00 0.00 C ATOM 750 O THR A 51 21.140 -3.378 9.698 1.00 0.00 O ATOM 751 CB THR A 51 20.277 -5.522 8.126 1.00 0.00 C ATOM 752 OG1 THR A 51 20.184 -6.660 7.260 1.00 0.00 O ATOM 753 CG2 THR A 51 18.934 -4.810 8.178 1.00 0.00 C ATOM 0 H THR A 51 23.276 -5.001 8.432 1.00 0.00 H new ATOM 0 HA THR A 51 21.177 -4.294 6.596 1.00 0.00 H new ATOM 0 HB THR A 51 20.534 -5.847 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.712 -6.499 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.169 -5.501 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 51 18.999 -3.961 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.670 -4.457 7.181 1.00 0.00 H new ATOM 761 N LEU A 52 21.721 -2.186 7.879 1.00 0.00 N ATOM 762 CA LEU A 52 21.772 -0.912 8.588 1.00 0.00 C ATOM 763 C LEU A 52 20.376 -0.306 8.703 1.00 0.00 C ATOM 764 O LEU A 52 19.456 -0.705 7.990 1.00 0.00 O ATOM 765 CB LEU A 52 22.709 0.059 7.862 1.00 0.00 C ATOM 766 CG LEU A 52 22.891 1.420 8.537 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.332 1.608 8.985 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.474 2.540 7.596 1.00 0.00 C ATOM 0 H LEU A 52 21.945 -2.124 6.886 1.00 0.00 H new ATOM 0 HA LEU A 52 22.156 -1.091 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.687 -0.412 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.328 0.220 6.854 1.00 0.00 H new ATOM 0 HG LEU A 52 22.252 1.454 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.440 2.582 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.598 0.824 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.992 1.553 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.610 3.501 8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.088 2.506 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.425 2.416 7.325 1.00 0.00 H new ATOM 780 N ALA A 53 20.224 0.657 9.606 1.00 0.00 N ATOM 781 CA ALA A 53 18.939 1.315 9.812 1.00 0.00 C ATOM 782 C ALA A 53 19.102 2.829 9.878 1.00 0.00 C ATOM 783 O ALA A 53 20.111 3.373 9.428 1.00 0.00 O ATOM 784 CB ALA A 53 18.279 0.794 11.080 1.00 0.00 C ATOM 0 H ALA A 53 20.974 0.999 10.206 1.00 0.00 H new ATOM 0 HA ALA A 53 18.298 1.084 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.320 1.293 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.119 -0.281 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.924 0.996 11.935 1.00 0.00 H new ATOM 790 N SER A 54 18.104 3.503 10.439 1.00 0.00 N ATOM 791 CA SER A 54 18.134 4.957 10.564 1.00 0.00 C ATOM 792 C SER A 54 19.392 5.419 11.294 1.00 0.00 C ATOM 793 O SER A 54 19.813 6.568 11.158 1.00 0.00 O ATOM 794 CB SER A 54 16.890 5.451 11.305 1.00 0.00 C ATOM 795 OG SER A 54 16.344 6.598 10.678 1.00 0.00 O ATOM 0 H SER A 54 17.263 3.066 10.815 1.00 0.00 H new ATOM 0 HA SER A 54 18.145 5.381 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.142 4.659 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.147 5.685 12.338 1.00 0.00 H new ATOM 0 HG SER A 54 15.737 6.321 9.960 1.00 0.00 H new ATOM 801 N GLY A 55 19.988 4.516 12.067 1.00 0.00 N ATOM 802 CA GLY A 55 21.192 4.851 12.805 1.00 0.00 C ATOM 803 C GLY A 55 21.753 3.669 13.571 1.00 0.00 C ATOM 804 O GLY A 55 22.227 3.820 14.698 1.00 0.00 O ATOM 0 H GLY A 55 19.659 3.559 12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.947 5.222 12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.974 5.660 13.502 1.00 0.00 H new ATOM 808 N LYS A 56 21.698 2.492 12.960 1.00 0.00 N ATOM 809 CA LYS A 56 22.204 1.277 13.591 1.00 0.00 C ATOM 810 C LYS A 56 22.368 0.156 12.572 1.00 0.00 C ATOM 811 O LYS A 56 21.402 -0.267 11.937 1.00 0.00 O ATOM 812 CB LYS A 56 21.261 0.829 14.710 1.00 0.00 C ATOM 813 CG LYS A 56 21.973 0.156 15.872 1.00 0.00 C ATOM 814 CD LYS A 56 21.102 0.125 17.117 1.00 0.00 C ATOM 815 CE LYS A 56 21.806 -0.565 18.273 1.00 0.00 C ATOM 816 NZ LYS A 56 20.947 -0.631 19.488 1.00 0.00 N ATOM 0 H LYS A 56 21.308 2.352 12.028 1.00 0.00 H new ATOM 0 HA LYS A 56 23.183 1.501 14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.715 1.696 15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.524 0.140 14.298 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.246 -0.862 15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.900 0.687 16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.841 1.143 17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.169 -0.393 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.090 -1.574 17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.727 -0.031 18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.464 -1.109 20.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.696 0.333 19.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.080 -1.163 19.272 1.00 0.00 H new ATOM 830 N CYS A 57 23.598 -0.326 12.427 1.00 0.00 N ATOM 831 CA CYS A 57 23.894 -1.404 11.491 1.00 0.00 C ATOM 832 C CYS A 57 23.837 -2.756 12.195 1.00 0.00 C ATOM 833 O CYS A 57 24.122 -2.855 13.388 1.00 0.00 O ATOM 834 CB CYS A 57 25.274 -1.196 10.861 1.00 0.00 C ATOM 835 SG CYS A 57 26.050 -2.718 10.228 1.00 0.00 S ATOM 0 H CYS A 57 24.407 0.014 12.947 1.00 0.00 H new ATOM 0 HA CYS A 57 23.141 -1.391 10.703 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.182 -0.482 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.935 -0.747 11.603 1.00 0.00 H new ATOM 840 N SER A 58 23.466 -3.796 11.454 1.00 0.00 N ATOM 841 CA SER A 58 23.371 -5.139 12.015 1.00 0.00 C ATOM 842 C SER A 58 23.700 -6.194 10.964 1.00 0.00 C ATOM 843 O SER A 58 22.983 -6.342 9.977 1.00 0.00 O ATOM 844 CB SER A 58 21.971 -5.385 12.576 1.00 0.00 C ATOM 845 OG SER A 58 21.646 -4.432 13.573 1.00 0.00 O ATOM 0 H SER A 58 23.226 -3.734 10.464 1.00 0.00 H new ATOM 0 HA SER A 58 24.098 -5.217 12.824 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.239 -5.336 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.916 -6.389 12.997 1.00 0.00 H new ATOM 0 HG SER A 58 20.745 -4.610 13.915 1.00 0.00 H new ATOM 851 N LEU A 59 24.787 -6.925 11.185 1.00 0.00 N ATOM 852 CA LEU A 59 25.206 -7.968 10.257 1.00 0.00 C ATOM 853 C LEU A 59 24.745 -9.339 10.738 1.00 0.00 C ATOM 854 O LEU A 59 24.809 -9.644 11.929 1.00 0.00 O ATOM 855 CB LEU A 59 26.727 -7.957 10.079 1.00 0.00 C ATOM 856 CG LEU A 59 27.511 -7.184 11.146 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.912 -7.758 11.291 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.574 -5.707 10.800 1.00 0.00 C ATOM 0 H LEU A 59 25.393 -6.815 11.998 1.00 0.00 H new ATOM 0 HA LEU A 59 24.741 -7.764 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.081 -8.988 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.958 -7.530 9.103 1.00 0.00 H new ATOM 0 HG LEU A 59 26.992 -7.289 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.457 -7.199 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.847 -8.805 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.437 -7.681 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.135 -5.177 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.069 -5.580 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.563 -5.303 10.744 1.00 0.00 H new ATOM 870 N PHE A 60 24.272 -10.158 9.805 1.00 0.00 N ATOM 871 CA PHE A 60 23.791 -11.496 10.132 1.00 0.00 C ATOM 872 C PHE A 60 24.507 -12.552 9.294 1.00 0.00 C ATOM 873 O PHE A 60 24.522 -12.479 8.065 1.00 0.00 O ATOM 874 CB PHE A 60 22.279 -11.578 9.911 1.00 0.00 C ATOM 875 CG PHE A 60 21.528 -10.427 10.522 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.339 -9.251 9.814 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.021 -10.519 11.808 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.656 -8.190 10.377 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.339 -9.460 12.376 1.00 0.00 C ATOM 880 CZ PHE A 60 20.157 -8.293 11.659 1.00 0.00 C ATOM 0 H PHE A 60 24.211 -9.919 8.815 1.00 0.00 H new ATOM 0 HA PHE A 60 24.008 -11.693 11.182 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.076 -11.609 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.907 -12.511 10.333 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.730 -9.163 8.811 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.160 -11.429 12.373 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.513 -7.280 9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.949 -9.544 13.379 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.625 -7.463 12.101 1.00 0.00 H new ATOM 890 N ALA A 61 25.107 -13.526 9.971 1.00 0.00 N ATOM 891 CA ALA A 61 25.834 -14.594 9.295 1.00 0.00 C ATOM 892 C ALA A 61 24.893 -15.504 8.509 1.00 0.00 C ATOM 893 O ALA A 61 24.606 -15.250 7.339 1.00 0.00 O ATOM 894 CB ALA A 61 26.637 -15.403 10.305 1.00 0.00 C ATOM 0 H ALA A 61 25.104 -13.597 10.988 1.00 0.00 H new ATOM 0 HA ALA A 61 26.518 -14.134 8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.176 -16.198 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.349 -14.750 10.810 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.962 -15.841 11.040 1.00 0.00 H new ATOM 900 N ASP A 62 24.424 -16.569 9.155 1.00 0.00 N ATOM 901 CA ASP A 62 23.523 -17.519 8.509 1.00 0.00 C ATOM 902 C ASP A 62 22.145 -17.504 9.160 1.00 0.00 C ATOM 903 O ASP A 62 21.268 -18.287 8.792 1.00 0.00 O ATOM 904 CB ASP A 62 24.110 -18.930 8.574 1.00 0.00 C ATOM 905 CG ASP A 62 23.525 -19.849 7.521 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.751 -19.597 6.319 1.00 0.00 O ATOM 907 OD2 ASP A 62 22.840 -20.824 7.898 1.00 0.00 O ATOM 0 H ASP A 62 24.653 -16.795 10.123 1.00 0.00 H new ATOM 0 HA ASP A 62 23.412 -17.220 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.191 -18.877 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.927 -19.351 9.562 1.00 0.00 H new ATOM 912 N ASP A 63 21.958 -16.612 10.126 1.00 0.00 N ATOM 913 CA ASP A 63 20.684 -16.500 10.826 1.00 0.00 C ATOM 914 C ASP A 63 19.546 -16.234 9.845 1.00 0.00 C ATOM 915 O ASP A 63 19.695 -15.458 8.902 1.00 0.00 O ATOM 916 CB ASP A 63 20.749 -15.382 11.867 1.00 0.00 C ATOM 917 CG ASP A 63 19.605 -15.448 12.860 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.377 -16.534 13.431 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.937 -14.413 13.066 1.00 0.00 O ATOM 0 H ASP A 63 22.672 -15.956 10.442 1.00 0.00 H new ATOM 0 HA ASP A 63 20.489 -17.446 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.696 -15.444 12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.732 -14.417 11.361 1.00 0.00 H new ATOM 924 N ALA A 64 18.411 -16.889 10.071 1.00 0.00 N ATOM 925 CA ALA A 64 17.248 -16.726 9.206 1.00 0.00 C ATOM 926 C ALA A 64 16.017 -16.322 10.009 1.00 0.00 C ATOM 927 O ALA A 64 14.930 -16.159 9.456 1.00 0.00 O ATOM 928 CB ALA A 64 16.980 -18.011 8.437 1.00 0.00 C ATOM 0 H ALA A 64 18.272 -17.538 10.846 1.00 0.00 H new ATOM 0 HA ALA A 64 17.463 -15.927 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.109 -17.876 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.848 -18.256 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.790 -18.823 9.139 1.00 0.00 H new ATOM 934 N ALA A 65 16.196 -16.161 11.317 1.00 0.00 N ATOM 935 CA ALA A 65 15.099 -15.774 12.197 1.00 0.00 C ATOM 936 C ALA A 65 14.940 -14.258 12.240 1.00 0.00 C ATOM 937 O ALA A 65 14.308 -13.716 13.147 1.00 0.00 O ATOM 938 CB ALA A 65 15.327 -16.323 13.596 1.00 0.00 C ATOM 0 H ALA A 65 17.090 -16.293 11.790 1.00 0.00 H new ATOM 0 HA ALA A 65 14.178 -16.199 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.501 -16.027 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.384 -17.411 13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.260 -15.926 13.995 1.00 0.00 H new ATOM 944 N LEU A 66 15.519 -13.580 11.254 1.00 0.00 N ATOM 945 CA LEU A 66 15.443 -12.125 11.177 1.00 0.00 C ATOM 946 C LEU A 66 14.384 -11.686 10.171 1.00 0.00 C ATOM 947 O LEU A 66 14.520 -11.921 8.970 1.00 0.00 O ATOM 948 CB LEU A 66 16.804 -11.543 10.789 1.00 0.00 C ATOM 949 CG LEU A 66 17.537 -12.299 9.678 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.700 -11.416 8.450 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.890 -12.787 10.171 1.00 0.00 C ATOM 0 H LEU A 66 16.046 -14.015 10.497 1.00 0.00 H new ATOM 0 HA LEU A 66 15.161 -11.749 12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.664 -10.509 10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.439 -11.522 11.674 1.00 0.00 H new ATOM 0 HG LEU A 66 16.940 -13.167 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.223 -11.970 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.718 -11.116 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.276 -10.529 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.398 -13.322 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.495 -11.934 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.748 -13.455 11.020 1.00 0.00 H new ATOM 963 N ARG A 67 13.332 -11.046 10.669 1.00 0.00 N ATOM 964 CA ARG A 67 12.251 -10.571 9.814 1.00 0.00 C ATOM 965 C ARG A 67 12.258 -9.047 9.722 1.00 0.00 C ATOM 966 O ARG A 67 12.879 -8.371 10.542 1.00 0.00 O ATOM 967 CB ARG A 67 10.901 -11.051 10.347 1.00 0.00 C ATOM 968 CG ARG A 67 10.445 -12.373 9.751 1.00 0.00 C ATOM 969 CD ARG A 67 10.281 -13.440 10.820 1.00 0.00 C ATOM 970 NE ARG A 67 9.180 -13.139 11.731 1.00 0.00 N ATOM 971 CZ ARG A 67 8.896 -13.863 12.810 1.00 0.00 C ATOM 972 NH1 ARG A 67 9.630 -14.926 13.112 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.878 -13.523 13.588 1.00 0.00 N ATOM 0 H ARG A 67 13.205 -10.844 11.661 1.00 0.00 H new ATOM 0 HA ARG A 67 12.407 -10.980 8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.963 -11.153 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.148 -10.291 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.498 -12.231 9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.170 -12.708 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.104 -14.405 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.207 -13.529 11.388 1.00 0.00 H new ATOM 0 HE ARG A 67 8.596 -12.328 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.415 -15.190 12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.410 -15.479 13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.312 -12.706 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.661 -14.079 14.415 1.00 0.00 H new ATOM 987 N PRO A 68 11.562 -8.483 8.721 1.00 0.00 N ATOM 988 CA PRO A 68 11.488 -7.031 8.529 1.00 0.00 C ATOM 989 C PRO A 68 10.659 -6.347 9.610 1.00 0.00 C ATOM 990 O PRO A 68 9.960 -7.008 10.379 1.00 0.00 O ATOM 991 CB PRO A 68 10.810 -6.890 7.165 1.00 0.00 C ATOM 992 CG PRO A 68 10.001 -8.132 7.018 1.00 0.00 C ATOM 993 CD PRO A 68 10.787 -9.216 7.702 1.00 0.00 C ATOM 0 HA PRO A 68 12.470 -6.560 8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.182 -6.000 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.544 -6.798 6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.018 -8.015 7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.838 -8.371 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.134 -9.962 8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.438 -9.743 7.004 1.00 0.00 H new ATOM 1001 N THR A 69 10.741 -5.021 9.666 1.00 0.00 N ATOM 1002 CA THR A 69 9.996 -4.251 10.655 1.00 0.00 C ATOM 1003 C THR A 69 9.372 -3.009 10.031 1.00 0.00 C ATOM 1004 O THR A 69 8.151 -2.905 9.916 1.00 0.00 O ATOM 1005 CB THR A 69 10.891 -3.826 11.835 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.394 -2.617 12.420 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.330 -3.621 11.383 1.00 0.00 C ATOM 0 H THR A 69 11.315 -4.458 9.038 1.00 0.00 H new ATOM 0 HA THR A 69 9.206 -4.903 11.028 1.00 0.00 H new ATOM 0 HB THR A 69 10.871 -4.624 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.969 -2.356 13.170 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.940 -3.322 12.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.717 -4.552 10.969 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.365 -2.843 10.621 1.00 0.00 H new ATOM 1015 N LYS A 70 10.219 -2.069 9.631 1.00 0.00 N ATOM 1016 CA LYS A 70 9.754 -0.830 9.018 1.00 0.00 C ATOM 1017 C LYS A 70 10.791 -0.279 8.046 1.00 0.00 C ATOM 1018 O LYS A 70 11.943 -0.711 8.040 1.00 0.00 O ATOM 1019 CB LYS A 70 9.445 0.211 10.097 1.00 0.00 C ATOM 1020 CG LYS A 70 10.650 0.585 10.945 1.00 0.00 C ATOM 1021 CD LYS A 70 10.301 0.618 12.424 1.00 0.00 C ATOM 1022 CE LYS A 70 11.548 0.675 13.290 1.00 0.00 C ATOM 1023 NZ LYS A 70 11.268 1.253 14.633 1.00 0.00 N ATOM 0 H LYS A 70 11.233 -2.141 9.720 1.00 0.00 H new ATOM 0 HA LYS A 70 8.843 -1.049 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.053 1.110 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.659 -0.174 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.453 -0.133 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.025 1.561 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.673 1.484 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.718 -0.267 12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.956 -0.329 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.310 1.273 12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.145 1.274 15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.903 2.221 14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.560 0.669 15.122 1.00 0.00 H new ATOM 1037 N SER A 71 10.373 0.679 7.225 1.00 0.00 N ATOM 1038 CA SER A 71 11.262 1.293 6.246 1.00 0.00 C ATOM 1039 C SER A 71 11.536 2.752 6.601 1.00 0.00 C ATOM 1040 O SER A 71 11.285 3.655 5.802 1.00 0.00 O ATOM 1041 CB SER A 71 10.653 1.201 4.846 1.00 0.00 C ATOM 1042 OG SER A 71 9.237 1.242 4.901 1.00 0.00 O ATOM 0 H SER A 71 9.422 1.047 7.219 1.00 0.00 H new ATOM 0 HA SER A 71 12.208 0.751 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.020 2.023 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.975 0.277 4.366 1.00 0.00 H new ATOM 0 HG SER A 71 8.873 1.183 3.993 1.00 0.00 H new ATOM 1048 N ASP A 72 12.052 2.976 7.805 1.00 0.00 N ATOM 1049 CA ASP A 72 12.360 4.324 8.269 1.00 0.00 C ATOM 1050 C ASP A 72 13.781 4.722 7.882 1.00 0.00 C ATOM 1051 O ASP A 72 14.539 5.235 8.705 1.00 0.00 O ATOM 1052 CB ASP A 72 12.184 4.416 9.785 1.00 0.00 C ATOM 1053 CG ASP A 72 11.311 5.586 10.196 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.070 5.436 10.177 1.00 0.00 O ATOM 1055 OD2 ASP A 72 11.866 6.651 10.536 1.00 0.00 O ATOM 0 H ASP A 72 12.266 2.240 8.478 1.00 0.00 H new ATOM 0 HA ASP A 72 11.667 5.015 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.743 3.490 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.162 4.513 10.256 1.00 0.00 H new ATOM 1060 N GLY A 73 14.136 4.481 6.623 1.00 0.00 N ATOM 1061 CA GLY A 73 15.465 4.820 6.148 1.00 0.00 C ATOM 1062 C GLY A 73 16.483 3.741 6.457 1.00 0.00 C ATOM 1063 O GLY A 73 17.653 4.034 6.705 1.00 0.00 O ATOM 0 H GLY A 73 13.527 4.057 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.431 4.986 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.783 5.757 6.605 1.00 0.00 H new ATOM 1067 N ALA A 74 16.037 2.489 6.441 1.00 0.00 N ATOM 1068 CA ALA A 74 16.916 1.360 6.722 1.00 0.00 C ATOM 1069 C ALA A 74 17.409 0.714 5.432 1.00 0.00 C ATOM 1070 O ALA A 74 16.697 0.685 4.428 1.00 0.00 O ATOM 1071 CB ALA A 74 16.196 0.335 7.583 1.00 0.00 C ATOM 0 H ALA A 74 15.072 2.231 6.236 1.00 0.00 H new ATOM 0 HA ALA A 74 17.784 1.733 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.863 -0.503 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.897 0.796 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.311 -0.024 7.058 1.00 0.00 H new ATOM 1077 N VAL A 75 18.633 0.195 5.468 1.00 0.00 N ATOM 1078 CA VAL A 75 19.225 -0.453 4.303 1.00 0.00 C ATOM 1079 C VAL A 75 19.705 -1.861 4.644 1.00 0.00 C ATOM 1080 O VAL A 75 20.010 -2.159 5.797 1.00 0.00 O ATOM 1081 CB VAL A 75 20.411 0.358 3.744 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.307 0.480 2.232 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.480 1.734 4.392 1.00 0.00 C ATOM 0 H VAL A 75 19.234 0.211 6.292 1.00 0.00 H new ATOM 0 HA VAL A 75 18.445 -0.508 3.544 1.00 0.00 H new ATOM 0 HB VAL A 75 21.332 -0.174 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.152 1.055 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.316 -0.514 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.378 0.986 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.325 2.287 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.557 2.278 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.608 1.623 5.469 1.00 0.00 H new ATOM 1093 N SER A 76 19.770 -2.720 3.632 1.00 0.00 N ATOM 1094 CA SER A 76 20.214 -4.097 3.825 1.00 0.00 C ATOM 1095 C SER A 76 20.681 -4.707 2.507 1.00 0.00 C ATOM 1096 O SER A 76 20.178 -4.357 1.439 1.00 0.00 O ATOM 1097 CB SER A 76 19.087 -4.944 4.420 1.00 0.00 C ATOM 1098 OG SER A 76 17.881 -4.208 4.500 1.00 0.00 O ATOM 0 H SER A 76 19.521 -2.488 2.670 1.00 0.00 H new ATOM 0 HA SER A 76 21.054 -4.086 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.934 -5.832 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.373 -5.288 5.414 1.00 0.00 H new ATOM 0 HG SER A 76 17.470 -4.347 5.379 1.00 0.00 H new ATOM 1104 N GLY A 77 21.645 -5.619 2.590 1.00 0.00 N ATOM 1105 CA GLY A 77 22.162 -6.261 1.395 1.00 0.00 C ATOM 1106 C GLY A 77 22.409 -7.744 1.591 1.00 0.00 C ATOM 1107 O GLY A 77 22.750 -8.184 2.689 1.00 0.00 O ATOM 0 H GLY A 77 22.077 -5.924 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.456 -6.119 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.093 -5.777 1.101 1.00 0.00 H new