USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 358 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 Set 1.1: A 54 THR OG1 : rot 57:sc= -0.313! USER MOD Set 1.2: A 73 TYR OH : rot 163:sc= -1.27 USER MOD Single : A 28 GLN :FLIP amide:sc= -6.52! C(o=-8!,f=-6.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.13! C(o=-3.1!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -24:sc= -0.227 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.073 K(o=0.073,f=-4.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 18 -3.296 16.376 5.148 1.00 0.00 N ATOM 240 CA LEU A 18 -4.445 15.722 5.748 1.00 0.00 C ATOM 241 C LEU A 18 -4.143 14.233 5.929 1.00 0.00 C ATOM 242 O LEU A 18 -2.982 13.827 5.921 1.00 0.00 O ATOM 243 CB LEU A 18 -5.708 15.997 4.929 1.00 0.00 C ATOM 244 CG LEU A 18 -5.801 15.282 3.579 1.00 0.00 C ATOM 245 CD1 LEU A 18 -4.413 15.079 2.969 1.00 0.00 C ATOM 246 CD2 LEU A 18 -6.568 13.965 3.709 1.00 0.00 C ATOM 0 HA LEU A 18 -4.640 16.131 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.574 15.715 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.777 17.071 4.755 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.363 15.917 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.508 14.569 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.936 16.048 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.804 14.476 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.620 13.477 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.054 13.313 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.577 14.166 4.069 1.00 0.00 H new ATOM 257 N CYS A 19 -5.208 13.460 6.087 1.00 0.00 N ATOM 258 CA CYS A 19 -5.071 12.026 6.270 1.00 0.00 C ATOM 259 C CYS A 19 -4.619 11.414 4.942 1.00 0.00 C ATOM 260 O CYS A 19 -4.887 10.244 4.671 1.00 0.00 O ATOM 261 CB CYS A 19 -6.368 11.393 6.777 1.00 0.00 C ATOM 262 SG CYS A 19 -6.139 9.926 7.847 1.00 0.00 S ATOM 0 H CYS A 19 -6.169 13.801 6.092 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.322 11.825 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.930 12.145 7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.976 11.108 5.919 1.00 0.00 H new ATOM 266 N GLY A 20 -3.941 12.231 4.150 1.00 0.00 N ATOM 267 CA GLY A 20 -3.450 11.785 2.857 1.00 0.00 C ATOM 268 C GLY A 20 -1.937 11.983 2.748 1.00 0.00 C ATOM 269 O GLY A 20 -1.315 11.524 1.791 1.00 0.00 O ATOM 0 H GLY A 20 -3.720 13.200 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.694 10.732 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.951 12.339 2.063 1.00 0.00 H new ATOM 273 N ALA A 21 -1.388 12.666 3.742 1.00 0.00 N ATOM 274 CA ALA A 21 0.040 12.929 3.769 1.00 0.00 C ATOM 275 C ALA A 21 0.711 11.981 4.766 1.00 0.00 C ATOM 276 O ALA A 21 1.936 11.868 4.793 1.00 0.00 O ATOM 277 CB ALA A 21 0.281 14.401 4.112 1.00 0.00 C ATOM 0 H ALA A 21 -1.907 13.045 4.534 1.00 0.00 H new ATOM 0 HA ALA A 21 0.483 12.745 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.353 14.599 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.190 15.032 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.147 14.622 5.090 1.00 0.00 H new ATOM 283 N GLU A 22 -0.122 11.323 5.560 1.00 0.00 N ATOM 284 CA GLU A 22 0.376 10.389 6.554 1.00 0.00 C ATOM 285 C GLU A 22 0.684 9.038 5.907 1.00 0.00 C ATOM 286 O GLU A 22 1.847 8.705 5.679 1.00 0.00 O ATOM 287 CB GLU A 22 -0.621 10.230 7.704 1.00 0.00 C ATOM 288 CG GLU A 22 -0.220 9.074 8.624 1.00 0.00 C ATOM 289 CD GLU A 22 -1.315 8.008 8.674 1.00 0.00 C ATOM 290 OE1 GLU A 22 -1.782 7.623 7.580 1.00 0.00 O ATOM 291 OE2 GLU A 22 -1.661 7.602 9.804 1.00 0.00 O ATOM 0 H GLU A 22 -1.137 11.419 5.535 1.00 0.00 H new ATOM 0 HA GLU A 22 1.301 10.790 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.670 11.155 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.618 10.051 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.710 8.629 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.030 9.453 9.628 1.00 0.00 H new ATOM 296 N LEU A 23 -0.377 8.296 5.627 1.00 0.00 N ATOM 297 CA LEU A 23 -0.234 6.988 5.010 1.00 0.00 C ATOM 298 C LEU A 23 0.941 7.017 4.031 1.00 0.00 C ATOM 299 O LEU A 23 1.638 6.017 3.862 1.00 0.00 O ATOM 300 CB LEU A 23 -1.554 6.549 4.372 1.00 0.00 C ATOM 301 CG LEU A 23 -2.479 7.675 3.904 1.00 0.00 C ATOM 302 CD1 LEU A 23 -3.364 8.169 5.050 1.00 0.00 C ATOM 303 CD2 LEU A 23 -1.680 8.811 3.264 1.00 0.00 C ATOM 0 H LEU A 23 -1.340 8.575 5.816 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.004 6.235 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.327 5.912 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.096 5.935 5.091 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.141 7.276 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.012 8.969 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.975 7.345 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.737 8.545 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.361 9.598 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.977 9.216 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.131 8.430 2.403 1.00 0.00 H new ATOM 314 N VAL A 24 1.127 8.174 3.412 1.00 0.00 N ATOM 315 CA VAL A 24 2.206 8.345 2.455 1.00 0.00 C ATOM 316 C VAL A 24 3.523 8.547 3.208 1.00 0.00 C ATOM 317 O VAL A 24 4.576 8.098 2.757 1.00 0.00 O ATOM 318 CB VAL A 24 1.881 9.497 1.501 1.00 0.00 C ATOM 319 CG1 VAL A 24 0.998 10.542 2.184 1.00 0.00 C ATOM 320 CG2 VAL A 24 3.160 10.132 0.954 1.00 0.00 C ATOM 0 H VAL A 24 0.548 9.002 3.555 1.00 0.00 H new ATOM 0 HA VAL A 24 2.316 7.452 1.840 1.00 0.00 H new ATOM 0 HB VAL A 24 1.324 9.088 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.782 11.349 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.064 10.078 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.517 10.945 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.901 10.948 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.756 10.520 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.736 9.382 0.412 1.00 0.00 H new ATOM 330 N ASP A 25 3.421 9.223 4.343 1.00 0.00 N ATOM 331 CA ASP A 25 4.590 9.490 5.163 1.00 0.00 C ATOM 332 C ASP A 25 5.058 8.187 5.816 1.00 0.00 C ATOM 333 O ASP A 25 6.238 8.033 6.126 1.00 0.00 O ATOM 334 CB ASP A 25 4.266 10.487 6.277 1.00 0.00 C ATOM 335 CG ASP A 25 4.891 11.873 6.107 1.00 0.00 C ATOM 336 OD1 ASP A 25 5.600 12.055 5.092 1.00 0.00 O ATOM 337 OD2 ASP A 25 4.648 12.718 6.994 1.00 0.00 O ATOM 0 H ASP A 25 2.546 9.594 4.714 1.00 0.00 H new ATOM 0 HA ASP A 25 5.365 9.908 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.184 10.599 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.600 10.069 7.227 1.00 0.00 H new ATOM 341 N ALA A 26 4.107 7.283 6.006 1.00 0.00 N ATOM 342 CA ALA A 26 4.407 5.999 6.616 1.00 0.00 C ATOM 343 C ALA A 26 5.275 5.177 5.662 1.00 0.00 C ATOM 344 O ALA A 26 6.375 4.759 6.022 1.00 0.00 O ATOM 345 CB ALA A 26 3.101 5.288 6.977 1.00 0.00 C ATOM 0 H ALA A 26 3.129 7.415 5.748 1.00 0.00 H new ATOM 0 HA ALA A 26 4.970 6.134 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.326 4.325 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.535 5.900 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.510 5.132 6.074 1.00 0.00 H new ATOM 351 N LEU A 27 4.747 4.967 4.466 1.00 0.00 N ATOM 352 CA LEU A 27 5.460 4.201 3.458 1.00 0.00 C ATOM 353 C LEU A 27 6.754 4.929 3.089 1.00 0.00 C ATOM 354 O LEU A 27 7.682 4.323 2.557 1.00 0.00 O ATOM 355 CB LEU A 27 4.552 3.916 2.259 1.00 0.00 C ATOM 356 CG LEU A 27 3.132 3.451 2.589 1.00 0.00 C ATOM 357 CD1 LEU A 27 2.098 4.480 2.129 1.00 0.00 C ATOM 358 CD2 LEU A 27 2.861 2.064 2.003 1.00 0.00 C ATOM 0 H LEU A 27 3.834 5.314 4.172 1.00 0.00 H new ATOM 0 HA LEU A 27 5.744 3.226 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.486 4.821 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.028 3.155 1.641 1.00 0.00 H new ATOM 0 HG LEU A 27 3.042 3.367 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.097 4.125 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.281 5.429 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.178 4.620 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.845 1.756 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.975 2.098 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.569 1.348 2.420 1.00 0.00 H new ATOM 369 N GLN A 28 6.774 6.220 3.388 1.00 0.00 N ATOM 370 CA GLN A 28 7.938 7.038 3.095 1.00 0.00 C ATOM 371 C GLN A 28 8.907 7.026 4.280 1.00 0.00 C ATOM 372 O GLN A 28 10.051 7.460 4.155 1.00 0.00 O ATOM 373 CB GLN A 28 7.528 8.468 2.737 1.00 0.00 C ATOM 374 CG GLN A 28 8.688 9.225 2.086 1.00 0.00 C ATOM 375 CD GLN A 28 9.038 10.483 2.882 1.00 0.00 C ATOM 376 OE1 GLN A 28 9.119 10.287 4.195 1.00 0.00 O flip ATOM 377 NE2 GLN A 28 9.222 11.560 2.341 1.00 0.00 N flip ATOM 0 H GLN A 28 6.002 6.719 3.830 1.00 0.00 H new ATOM 0 HA GLN A 28 8.447 6.614 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.676 8.446 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.205 8.993 3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.561 8.575 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.421 9.499 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.144 11.641 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.454 12.380 2.902 1.00 0.00 H new ATOM 384 N PHE A 29 8.412 6.524 5.402 1.00 0.00 N ATOM 385 CA PHE A 29 9.219 6.450 6.607 1.00 0.00 C ATOM 386 C PHE A 29 10.078 5.183 6.615 1.00 0.00 C ATOM 387 O PHE A 29 11.272 5.240 6.905 1.00 0.00 O ATOM 388 CB PHE A 29 8.252 6.403 7.792 1.00 0.00 C ATOM 389 CG PHE A 29 8.737 5.540 8.958 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.047 5.564 9.324 1.00 0.00 C ATOM 391 CD2 PHE A 29 7.859 4.749 9.631 1.00 0.00 C ATOM 392 CE1 PHE A 29 10.497 4.764 10.406 1.00 0.00 C ATOM 393 CE2 PHE A 29 8.309 3.948 10.713 1.00 0.00 C ATOM 394 CZ PHE A 29 9.619 3.973 11.078 1.00 0.00 C ATOM 0 H PHE A 29 7.463 6.165 5.501 1.00 0.00 H new ATOM 0 HA PHE A 29 9.886 7.310 6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.084 7.418 8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.290 6.023 7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.745 6.192 8.791 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.819 4.730 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.537 4.783 10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.612 3.319 11.246 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.962 3.364 11.902 1.00 0.00 H new ATOM 403 N VAL A 30 9.436 4.070 6.294 1.00 0.00 N ATOM 404 CA VAL A 30 10.126 2.791 6.260 1.00 0.00 C ATOM 405 C VAL A 30 10.514 2.464 4.816 1.00 0.00 C ATOM 406 O VAL A 30 11.659 2.110 4.542 1.00 0.00 O ATOM 407 CB VAL A 30 9.257 1.711 6.905 1.00 0.00 C ATOM 408 CG1 VAL A 30 9.497 0.349 6.249 1.00 0.00 C ATOM 409 CG2 VAL A 30 9.499 1.642 8.414 1.00 0.00 C ATOM 0 H VAL A 30 8.445 4.027 6.055 1.00 0.00 H new ATOM 0 HA VAL A 30 11.047 2.838 6.841 1.00 0.00 H new ATOM 0 HB VAL A 30 8.213 1.981 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.867 -0.401 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.251 0.408 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.544 0.069 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.869 0.866 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.546 1.408 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.255 2.603 8.866 1.00 0.00 H new ATOM 419 N CYS A 31 9.537 2.595 3.931 1.00 0.00 N ATOM 420 CA CYS A 31 9.762 2.318 2.522 1.00 0.00 C ATOM 421 C CYS A 31 10.927 3.184 2.041 1.00 0.00 C ATOM 422 O CYS A 31 11.631 2.818 1.102 1.00 0.00 O ATOM 423 CB CYS A 31 8.498 2.549 1.692 1.00 0.00 C ATOM 424 SG CYS A 31 7.994 1.131 0.649 1.00 0.00 S ATOM 0 H CYS A 31 8.588 2.889 4.162 1.00 0.00 H new ATOM 0 HA CYS A 31 10.016 1.266 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.678 2.796 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.655 3.416 1.050 1.00 0.00 H new ATOM 428 N GLY A 32 11.095 4.317 2.708 1.00 0.00 N ATOM 429 CA GLY A 32 12.162 5.239 2.360 1.00 0.00 C ATOM 430 C GLY A 32 11.616 6.649 2.127 1.00 0.00 C ATOM 431 O GLY A 32 10.725 6.844 1.302 1.00 0.00 O ATOM 0 H GLY A 32 10.510 4.617 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.904 5.260 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.671 4.889 1.462 1.00 0.00 H new ATOM 435 N ASP A 33 12.171 7.595 2.870 1.00 0.00 N ATOM 436 CA ASP A 33 11.751 8.981 2.755 1.00 0.00 C ATOM 437 C ASP A 33 11.418 9.289 1.293 1.00 0.00 C ATOM 438 O ASP A 33 10.646 10.202 1.008 1.00 0.00 O ATOM 439 CB ASP A 33 12.863 9.933 3.197 1.00 0.00 C ATOM 440 CG ASP A 33 13.374 9.712 4.622 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.515 9.616 5.526 1.00 0.00 O ATOM 442 OD2 ASP A 33 14.613 9.644 4.777 1.00 0.00 O ATOM 0 H ASP A 33 12.909 7.429 3.555 1.00 0.00 H new ATOM 0 HA ASP A 33 10.880 9.123 3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.701 9.834 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.499 10.957 3.112 1.00 0.00 H new ATOM 446 N ARG A 34 12.019 8.509 0.407 1.00 0.00 N ATOM 447 CA ARG A 34 11.796 8.687 -1.018 1.00 0.00 C ATOM 448 C ARG A 34 10.302 8.598 -1.338 1.00 0.00 C ATOM 449 O ARG A 34 9.867 9.017 -2.409 1.00 0.00 O ATOM 450 CB ARG A 34 12.547 7.628 -1.829 1.00 0.00 C ATOM 451 CG ARG A 34 14.059 7.838 -1.737 1.00 0.00 C ATOM 452 CD ARG A 34 14.530 8.890 -2.744 1.00 0.00 C ATOM 453 NE ARG A 34 15.156 10.027 -2.033 1.00 0.00 N ATOM 454 CZ ARG A 34 16.268 9.929 -1.291 1.00 0.00 C ATOM 455 NH1 ARG A 34 16.882 8.745 -1.159 1.00 0.00 N ATOM 456 NH2 ARG A 34 16.765 11.013 -0.683 1.00 0.00 N ATOM 0 H ARG A 34 12.660 7.753 0.648 1.00 0.00 H new ATOM 0 HA ARG A 34 12.171 9.673 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.291 6.634 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.233 7.673 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.325 8.151 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.573 6.895 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.244 8.447 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.686 9.242 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 34 14.714 10.943 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.503 7.919 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.728 8.669 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.298 11.914 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.611 10.938 -0.118 1.00 0.00 H new ATOM 467 N GLY A 35 9.558 8.052 -0.387 1.00 0.00 N ATOM 468 CA GLY A 35 8.121 7.904 -0.554 1.00 0.00 C ATOM 469 C GLY A 35 7.790 6.645 -1.357 1.00 0.00 C ATOM 470 O GLY A 35 8.480 6.321 -2.322 1.00 0.00 O ATOM 0 H GLY A 35 9.922 7.707 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.641 7.853 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.718 8.780 -1.062 1.00 0.00 H new ATOM 474 N PHE A 36 6.734 5.969 -0.929 1.00 0.00 N ATOM 475 CA PHE A 36 6.302 4.754 -1.597 1.00 0.00 C ATOM 476 C PHE A 36 5.124 5.031 -2.534 1.00 0.00 C ATOM 477 O PHE A 36 4.341 5.950 -2.297 1.00 0.00 O ATOM 478 CB PHE A 36 5.852 3.780 -0.507 1.00 0.00 C ATOM 479 CG PHE A 36 4.443 3.220 -0.713 1.00 0.00 C ATOM 480 CD1 PHE A 36 3.365 4.045 -0.629 1.00 0.00 C ATOM 481 CD2 PHE A 36 4.269 1.898 -0.983 1.00 0.00 C ATOM 482 CE1 PHE A 36 2.057 3.526 -0.822 1.00 0.00 C ATOM 483 CE2 PHE A 36 2.962 1.379 -1.175 1.00 0.00 C ATOM 484 CZ PHE A 36 1.883 2.204 -1.090 1.00 0.00 C ATOM 0 H PHE A 36 6.165 6.240 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 36 7.119 4.348 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.558 2.951 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.893 4.286 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.504 5.095 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.125 1.243 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.201 4.181 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.824 0.329 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.888 1.809 -1.235 1.00 0.00 H new ATOM 493 N TYR A 37 5.037 4.220 -3.578 1.00 0.00 N ATOM 494 CA TYR A 37 3.968 4.366 -4.551 1.00 0.00 C ATOM 495 C TYR A 37 2.688 3.682 -4.067 1.00 0.00 C ATOM 496 O TYR A 37 2.641 2.459 -3.947 1.00 0.00 O ATOM 497 CB TYR A 37 4.456 3.668 -5.822 1.00 0.00 C ATOM 498 CG TYR A 37 4.178 4.450 -7.107 1.00 0.00 C ATOM 499 CD1 TYR A 37 2.882 4.776 -7.450 1.00 0.00 C ATOM 500 CD2 TYR A 37 5.223 4.829 -7.924 1.00 0.00 C ATOM 501 CE1 TYR A 37 2.620 5.512 -8.660 1.00 0.00 C ATOM 502 CE2 TYR A 37 4.962 5.565 -9.134 1.00 0.00 C ATOM 503 CZ TYR A 37 3.674 5.870 -9.442 1.00 0.00 C ATOM 504 OH TYR A 37 3.427 6.565 -10.585 1.00 0.00 O ATOM 0 H TYR A 37 5.689 3.460 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 37 3.739 5.419 -4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.529 3.494 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.979 2.690 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.064 4.479 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.238 4.574 -7.656 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.610 5.774 -8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.771 5.868 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 37 4.273 6.754 -11.042 1.00 0.00 H new ATOM 513 N PHE A 38 1.680 4.501 -3.802 1.00 0.00 N ATOM 514 CA PHE A 38 0.403 3.990 -3.334 1.00 0.00 C ATOM 515 C PHE A 38 -0.257 3.108 -4.395 1.00 0.00 C ATOM 516 O PHE A 38 0.162 1.972 -4.613 1.00 0.00 O ATOM 517 CB PHE A 38 -0.492 5.201 -3.065 1.00 0.00 C ATOM 518 CG PHE A 38 -0.239 5.875 -1.714 1.00 0.00 C ATOM 519 CD1 PHE A 38 0.981 6.409 -1.440 1.00 0.00 C ATOM 520 CD2 PHE A 38 -1.233 5.939 -0.789 1.00 0.00 C ATOM 521 CE1 PHE A 38 1.215 7.035 -0.187 1.00 0.00 C ATOM 522 CE2 PHE A 38 -0.999 6.564 0.463 1.00 0.00 C ATOM 523 CZ PHE A 38 0.221 7.099 0.738 1.00 0.00 C ATOM 0 H PHE A 38 1.722 5.515 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 38 0.550 3.386 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.343 5.933 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.535 4.887 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.771 6.357 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.201 5.514 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.183 7.461 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.789 6.615 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.400 7.575 1.691 1.00 0.00 H new ATOM 532 N ASN A 39 -1.279 3.665 -5.029 1.00 0.00 N ATOM 533 CA ASN A 39 -2.002 2.943 -6.063 1.00 0.00 C ATOM 534 C ASN A 39 -1.330 3.190 -7.415 1.00 0.00 C ATOM 535 O ASN A 39 -0.425 4.016 -7.521 1.00 0.00 O ATOM 536 CB ASN A 39 -3.451 3.424 -6.160 1.00 0.00 C ATOM 537 CG ASN A 39 -4.318 2.405 -6.902 1.00 0.00 C ATOM 538 OD1 ASN A 39 -3.878 1.328 -7.270 1.00 0.00 O ATOM 539 ND2 ASN A 39 -5.571 2.804 -7.102 1.00 0.00 N ATOM 0 H ASN A 39 -1.623 4.608 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.991 1.884 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.851 3.588 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.486 4.382 -6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.228 2.195 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.874 3.719 -6.768 1.00 0.00 H new ATOM 545 N LYS A 40 -1.800 2.460 -8.416 1.00 0.00 N ATOM 546 CA LYS A 40 -1.257 2.589 -9.757 1.00 0.00 C ATOM 547 C LYS A 40 -2.198 3.449 -10.603 1.00 0.00 C ATOM 548 O LYS A 40 -3.277 3.001 -10.988 1.00 0.00 O ATOM 549 CB LYS A 40 -0.977 1.210 -10.358 1.00 0.00 C ATOM 550 CG LYS A 40 0.469 1.109 -10.847 1.00 0.00 C ATOM 551 CD LYS A 40 0.539 0.415 -12.208 1.00 0.00 C ATOM 552 CE LYS A 40 1.804 -0.439 -12.325 1.00 0.00 C ATOM 553 NZ LYS A 40 2.035 -0.833 -13.732 1.00 0.00 N ATOM 0 H LYS A 40 -2.552 1.777 -8.325 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.295 3.100 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.167 0.439 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.659 1.026 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.903 2.106 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.064 0.555 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.342 -0.213 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.526 1.162 -13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.663 0.119 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.708 -1.329 -11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.897 -1.412 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.223 -1.384 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.148 0.019 -14.317 1.00 0.00 H new ATOM 563 N PRO A 41 -1.744 4.702 -10.875 1.00 0.00 N ATOM 564 CA PRO A 41 -2.533 5.629 -11.669 1.00 0.00 C ATOM 565 C PRO A 41 -2.492 5.255 -13.152 1.00 0.00 C ATOM 566 O PRO A 41 -2.075 6.056 -13.986 1.00 0.00 O ATOM 567 CB PRO A 41 -1.936 6.997 -11.385 1.00 0.00 C ATOM 568 CG PRO A 41 -0.552 6.738 -10.813 1.00 0.00 C ATOM 569 CD PRO A 41 -0.471 5.268 -10.436 1.00 0.00 C ATOM 0 HA PRO A 41 -3.591 5.609 -11.409 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.877 7.594 -12.295 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.553 7.553 -10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.216 6.987 -11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.376 7.366 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.370 4.779 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.331 5.142 -9.362 1.00 0.00 H new ATOM 574 N THR A 42 -2.929 4.035 -13.433 1.00 0.00 N ATOM 575 CA THR A 42 -2.947 3.545 -14.801 1.00 0.00 C ATOM 576 C THR A 42 -3.916 2.368 -14.933 1.00 0.00 C ATOM 577 O THR A 42 -4.530 1.952 -13.951 1.00 0.00 O ATOM 578 CB THR A 42 -1.510 3.196 -15.197 1.00 0.00 C ATOM 579 OG1 THR A 42 -0.811 4.434 -15.092 1.00 0.00 O ATOM 580 CG2 THR A 42 -1.385 2.821 -16.675 1.00 0.00 C ATOM 0 H THR A 42 -3.273 3.373 -12.737 1.00 0.00 H new ATOM 0 HA THR A 42 -3.314 4.307 -15.489 1.00 0.00 H new ATOM 0 HB THR A 42 -1.154 2.370 -14.582 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.444 5.176 -15.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.346 2.583 -16.903 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.011 1.954 -16.884 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.709 3.659 -17.292 1.00 0.00 H new ATOM 588 N GLY A 43 -4.025 1.866 -16.154 1.00 0.00 N ATOM 589 CA GLY A 43 -4.909 0.746 -16.427 1.00 0.00 C ATOM 590 C GLY A 43 -4.930 -0.234 -15.253 1.00 0.00 C ATOM 591 O GLY A 43 -3.978 -0.299 -14.476 1.00 0.00 O ATOM 0 H GLY A 43 -3.515 2.215 -16.966 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.918 1.112 -16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.581 0.231 -17.330 1.00 0.00 H new ATOM 595 N TYR A 44 -6.025 -0.974 -15.161 1.00 0.00 N ATOM 596 CA TYR A 44 -6.183 -1.948 -14.095 1.00 0.00 C ATOM 597 C TYR A 44 -5.490 -3.265 -14.448 1.00 0.00 C ATOM 598 O TYR A 44 -6.076 -4.337 -14.308 1.00 0.00 O ATOM 599 CB TYR A 44 -7.688 -2.197 -13.970 1.00 0.00 C ATOM 600 CG TYR A 44 -8.228 -2.036 -12.547 1.00 0.00 C ATOM 601 CD1 TYR A 44 -7.688 -2.777 -11.516 1.00 0.00 C ATOM 602 CD2 TYR A 44 -9.257 -1.150 -12.295 1.00 0.00 C ATOM 603 CE1 TYR A 44 -8.197 -2.626 -10.177 1.00 0.00 C ATOM 604 CE2 TYR A 44 -9.766 -0.999 -10.956 1.00 0.00 C ATOM 605 CZ TYR A 44 -9.210 -1.745 -9.963 1.00 0.00 C ATOM 606 OH TYR A 44 -9.691 -1.602 -8.699 1.00 0.00 O ATOM 0 H TYR A 44 -6.812 -0.918 -15.808 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.741 -1.578 -13.170 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.216 -1.507 -14.629 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.910 -3.205 -14.320 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.884 -3.470 -11.713 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.680 -0.570 -13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.783 -3.200 -9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.570 -0.310 -10.745 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.412 -0.938 -8.696 1.00 0.00 H new ATOM 615 N GLY A 45 -4.249 -3.141 -14.899 1.00 0.00 N ATOM 616 CA GLY A 45 -3.469 -4.308 -15.273 1.00 0.00 C ATOM 617 C GLY A 45 -3.717 -5.467 -14.306 1.00 0.00 C ATOM 618 O GLY A 45 -3.597 -6.632 -14.683 1.00 0.00 O ATOM 0 H GLY A 45 -3.766 -2.250 -15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.729 -4.614 -16.287 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.409 -4.055 -15.278 1.00 0.00 H new ATOM 622 N SER A 46 -4.061 -5.108 -13.078 1.00 0.00 N ATOM 623 CA SER A 46 -4.328 -6.104 -12.055 1.00 0.00 C ATOM 624 C SER A 46 -5.806 -6.500 -12.082 1.00 0.00 C ATOM 625 O SER A 46 -6.554 -6.186 -11.157 1.00 0.00 O ATOM 626 CB SER A 46 -3.943 -5.585 -10.667 1.00 0.00 C ATOM 627 OG SER A 46 -3.910 -6.628 -9.697 1.00 0.00 O ATOM 0 H SER A 46 -4.161 -4.141 -12.769 1.00 0.00 H new ATOM 0 HA SER A 46 -3.719 -6.983 -12.267 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.965 -5.106 -10.718 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.656 -4.822 -10.355 1.00 0.00 H new ATOM 0 HG SER A 46 -3.659 -6.256 -8.826 1.00 0.00 H new ATOM 632 N SER A 47 -6.183 -7.184 -13.153 1.00 0.00 N ATOM 633 CA SER A 47 -7.557 -7.626 -13.314 1.00 0.00 C ATOM 634 C SER A 47 -7.833 -8.820 -12.398 1.00 0.00 C ATOM 635 O SER A 47 -7.979 -9.947 -12.869 1.00 0.00 O ATOM 636 CB SER A 47 -7.852 -7.994 -14.769 1.00 0.00 C ATOM 637 OG SER A 47 -6.754 -8.666 -15.382 1.00 0.00 O ATOM 0 H SER A 47 -5.560 -7.443 -13.918 1.00 0.00 H new ATOM 0 HA SER A 47 -8.215 -6.803 -13.036 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.736 -8.631 -14.810 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.084 -7.090 -15.332 1.00 0.00 H new ATOM 0 HG SER A 47 -6.982 -8.886 -16.310 1.00 0.00 H new ATOM 642 N SER A 48 -7.894 -8.533 -11.106 1.00 0.00 N ATOM 643 CA SER A 48 -8.150 -9.570 -10.121 1.00 0.00 C ATOM 644 C SER A 48 -9.126 -9.056 -9.061 1.00 0.00 C ATOM 645 O SER A 48 -9.352 -7.851 -8.953 1.00 0.00 O ATOM 646 CB SER A 48 -6.850 -10.036 -9.462 1.00 0.00 C ATOM 647 OG SER A 48 -6.480 -9.207 -8.364 1.00 0.00 O ATOM 0 H SER A 48 -7.771 -7.598 -10.719 1.00 0.00 H new ATOM 0 HA SER A 48 -8.595 -10.424 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.967 -11.063 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.049 -10.037 -10.201 1.00 0.00 H new ATOM 0 HG SER A 48 -5.646 -9.539 -7.970 1.00 0.00 H new ATOM 652 N ARG A 49 -9.679 -9.993 -8.306 1.00 0.00 N ATOM 653 CA ARG A 49 -10.626 -9.650 -7.259 1.00 0.00 C ATOM 654 C ARG A 49 -10.196 -8.360 -6.557 1.00 0.00 C ATOM 655 O ARG A 49 -9.366 -8.390 -5.651 1.00 0.00 O ATOM 656 CB ARG A 49 -10.736 -10.773 -6.226 1.00 0.00 C ATOM 657 CG ARG A 49 -9.354 -11.311 -5.852 1.00 0.00 C ATOM 658 CD ARG A 49 -9.452 -12.342 -4.726 1.00 0.00 C ATOM 659 NE ARG A 49 -8.702 -13.563 -5.091 1.00 0.00 N ATOM 660 CZ ARG A 49 -9.186 -14.535 -5.877 1.00 0.00 C ATOM 661 NH1 ARG A 49 -10.421 -14.433 -6.385 1.00 0.00 N ATOM 662 NH2 ARG A 49 -8.434 -15.608 -6.156 1.00 0.00 N ATOM 0 H ARG A 49 -9.489 -10.991 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.600 -9.506 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.240 -10.403 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.349 -11.581 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.888 -11.766 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.711 -10.487 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.053 -11.923 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.497 -12.590 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.758 -13.672 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.993 -13.616 -6.174 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.789 -15.173 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.493 -15.685 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.803 -16.347 -6.754 1.00 0.00 H new ATOM 673 N ARG A 50 -10.782 -7.259 -7.003 1.00 0.00 N ATOM 674 CA ARG A 50 -10.470 -5.960 -6.428 1.00 0.00 C ATOM 675 C ARG A 50 -10.226 -6.091 -4.924 1.00 0.00 C ATOM 676 O ARG A 50 -11.159 -6.327 -4.157 1.00 0.00 O ATOM 677 CB ARG A 50 -11.607 -4.965 -6.669 1.00 0.00 C ATOM 678 CG ARG A 50 -12.961 -5.580 -6.309 1.00 0.00 C ATOM 679 CD ARG A 50 -14.014 -5.243 -7.367 1.00 0.00 C ATOM 680 NE ARG A 50 -14.980 -6.358 -7.490 1.00 0.00 N ATOM 681 CZ ARG A 50 -16.227 -6.222 -7.962 1.00 0.00 C ATOM 682 NH1 ARG A 50 -16.667 -5.020 -8.358 1.00 0.00 N ATOM 683 NH2 ARG A 50 -17.034 -7.289 -8.038 1.00 0.00 N ATOM 0 H ARG A 50 -11.471 -7.239 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.568 -5.589 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.442 -4.067 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.610 -4.657 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.861 -6.662 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.286 -5.210 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.536 -4.326 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.532 -5.061 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.678 -7.287 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.053 -4.208 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.616 -4.917 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.699 -8.204 -7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.983 -7.186 -8.397 1.00 0.00 H new ATOM 694 N ALA A 51 -8.966 -5.932 -4.545 1.00 0.00 N ATOM 695 CA ALA A 51 -8.587 -6.028 -3.145 1.00 0.00 C ATOM 696 C ALA A 51 -8.854 -4.689 -2.456 1.00 0.00 C ATOM 697 O ALA A 51 -9.546 -4.636 -1.441 1.00 0.00 O ATOM 698 CB ALA A 51 -7.122 -6.456 -3.042 1.00 0.00 C ATOM 0 H ALA A 51 -8.194 -5.737 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.184 -6.785 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.837 -6.528 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.992 -7.426 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.492 -5.719 -3.539 1.00 0.00 H new ATOM 704 N CYS A 52 -8.290 -3.638 -3.035 1.00 0.00 N ATOM 705 CA CYS A 52 -8.458 -2.303 -2.488 1.00 0.00 C ATOM 706 C CYS A 52 -7.318 -2.039 -1.504 1.00 0.00 C ATOM 707 O CYS A 52 -7.044 -0.891 -1.158 1.00 0.00 O ATOM 708 CB CYS A 52 -9.830 -2.129 -1.832 1.00 0.00 C ATOM 709 SG CYS A 52 -10.366 -0.383 -1.958 1.00 0.00 S ATOM 0 H CYS A 52 -7.717 -3.685 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.417 -1.570 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.559 -2.778 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.783 -2.429 -0.785 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.532 -0.246 -1.400 1.00 0.00 H new ATOM 714 N GLN A 53 -6.683 -3.122 -1.080 1.00 0.00 N ATOM 715 CA GLN A 53 -5.577 -3.022 -0.142 1.00 0.00 C ATOM 716 C GLN A 53 -4.793 -1.731 -0.382 1.00 0.00 C ATOM 717 O GLN A 53 -4.322 -1.102 0.564 1.00 0.00 O ATOM 718 CB GLN A 53 -4.663 -4.245 -0.240 1.00 0.00 C ATOM 719 CG GLN A 53 -3.266 -3.930 0.299 1.00 0.00 C ATOM 720 CD GLN A 53 -2.707 -5.110 1.097 1.00 0.00 C ATOM 721 OE1 GLN A 53 -3.111 -5.385 2.215 1.00 0.00 O ATOM 722 NE2 GLN A 53 -1.759 -5.792 0.460 1.00 0.00 N ATOM 0 H GLN A 53 -6.913 -4.073 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.984 -2.994 0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.095 -5.073 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.592 -4.568 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.597 -3.697 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.308 -3.045 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.467 -5.508 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.324 -6.599 0.907 1.00 0.00 H new ATOM 729 N THR A 54 -4.677 -1.373 -1.652 1.00 0.00 N ATOM 730 CA THR A 54 -3.957 -0.168 -2.028 1.00 0.00 C ATOM 731 C THR A 54 -4.653 1.068 -1.455 1.00 0.00 C ATOM 732 O THR A 54 -4.490 2.172 -1.973 1.00 0.00 O ATOM 733 CB THR A 54 -3.836 -0.146 -3.553 1.00 0.00 C ATOM 734 OG1 THR A 54 -2.555 0.431 -3.791 1.00 0.00 O ATOM 735 CG2 THR A 54 -4.813 0.836 -4.203 1.00 0.00 C ATOM 0 H THR A 54 -5.070 -1.896 -2.434 1.00 0.00 H new ATOM 0 HA THR A 54 -2.951 -0.160 -1.608 1.00 0.00 H new ATOM 0 HB THR A 54 -4.012 -1.147 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.867 -0.101 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.686 0.813 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.835 0.553 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.615 1.843 -3.836 1.00 0.00 H new ATOM 743 N GLY A 55 -5.413 0.842 -0.394 1.00 0.00 N ATOM 744 CA GLY A 55 -6.134 1.924 0.255 1.00 0.00 C ATOM 745 C GLY A 55 -5.351 2.462 1.453 1.00 0.00 C ATOM 746 O GLY A 55 -5.940 2.970 2.407 1.00 0.00 O ATOM 0 H GLY A 55 -5.545 -0.075 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.311 2.728 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.111 1.569 0.584 1.00 0.00 H new ATOM 750 N ILE A 56 -4.035 2.335 1.366 1.00 0.00 N ATOM 751 CA ILE A 56 -3.166 2.803 2.432 1.00 0.00 C ATOM 752 C ILE A 56 -3.589 4.213 2.848 1.00 0.00 C ATOM 753 O ILE A 56 -3.097 4.744 3.842 1.00 0.00 O ATOM 754 CB ILE A 56 -1.699 2.700 2.011 1.00 0.00 C ATOM 755 CG1 ILE A 56 -0.974 1.614 2.809 1.00 0.00 C ATOM 756 CG2 ILE A 56 -0.999 4.056 2.122 1.00 0.00 C ATOM 757 CD1 ILE A 56 -1.827 0.350 2.916 1.00 0.00 C ATOM 0 H ILE A 56 -3.550 1.915 0.574 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.267 2.168 3.312 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.666 2.406 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.025 1.377 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.741 1.985 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.042 3.954 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.498 4.777 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.042 4.404 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.288 -0.405 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.765 0.585 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.037 -0.033 1.917 1.00 0.00 H new ATOM 768 N VAL A 57 -4.496 4.778 2.066 1.00 0.00 N ATOM 769 CA VAL A 57 -4.991 6.117 2.340 1.00 0.00 C ATOM 770 C VAL A 57 -6.446 6.032 2.807 1.00 0.00 C ATOM 771 O VAL A 57 -6.828 6.679 3.782 1.00 0.00 O ATOM 772 CB VAL A 57 -4.810 7.004 1.107 1.00 0.00 C ATOM 773 CG1 VAL A 57 -4.028 8.273 1.455 1.00 0.00 C ATOM 774 CG2 VAL A 57 -4.131 6.235 -0.027 1.00 0.00 C ATOM 0 H VAL A 57 -4.902 4.334 1.242 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.418 6.579 3.144 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.799 7.304 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.913 8.886 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.569 8.837 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.044 8.001 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.015 6.889 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.151 5.891 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.743 5.376 -0.302 1.00 0.00 H new ATOM 784 N ASP A 58 -7.219 5.229 2.091 1.00 0.00 N ATOM 785 CA ASP A 58 -8.623 5.052 2.419 1.00 0.00 C ATOM 786 C ASP A 58 -8.775 3.848 3.351 1.00 0.00 C ATOM 787 O ASP A 58 -9.697 3.802 4.165 1.00 0.00 O ATOM 788 CB ASP A 58 -9.453 4.785 1.163 1.00 0.00 C ATOM 789 CG ASP A 58 -8.766 3.920 0.105 1.00 0.00 C ATOM 790 OD1 ASP A 58 -7.871 4.463 -0.578 1.00 0.00 O ATOM 791 OD2 ASP A 58 -9.151 2.735 0.002 1.00 0.00 O ATOM 0 H ASP A 58 -6.899 4.693 1.284 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.976 5.966 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.384 4.301 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.719 5.741 0.712 1.00 0.00 H new ATOM 795 N GLU A 59 -7.858 2.904 3.201 1.00 0.00 N ATOM 796 CA GLU A 59 -7.880 1.703 4.019 1.00 0.00 C ATOM 797 C GLU A 59 -7.040 1.907 5.283 1.00 0.00 C ATOM 798 O GLU A 59 -7.223 1.201 6.274 1.00 0.00 O ATOM 799 CB GLU A 59 -7.390 0.490 3.226 1.00 0.00 C ATOM 800 CG GLU A 59 -5.867 0.365 3.299 1.00 0.00 C ATOM 801 CD GLU A 59 -5.456 -0.802 4.201 1.00 0.00 C ATOM 802 OE1 GLU A 59 -6.192 -1.047 5.181 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.416 -1.420 3.891 1.00 0.00 O ATOM 0 H GLU A 59 -7.095 2.946 2.525 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.910 1.509 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.852 -0.416 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.701 0.582 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.462 0.216 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.440 1.292 3.681 1.00 0.00 H new ATOM 808 N CYS A 60 -6.138 2.874 5.206 1.00 0.00 N ATOM 809 CA CYS A 60 -5.271 3.179 6.331 1.00 0.00 C ATOM 810 C CYS A 60 -6.011 4.143 7.260 1.00 0.00 C ATOM 811 O CYS A 60 -6.089 3.911 8.466 1.00 0.00 O ATOM 812 CB CYS A 60 -3.927 3.748 5.871 1.00 0.00 C ATOM 813 SG CYS A 60 -2.604 3.709 7.134 1.00 0.00 S ATOM 0 H CYS A 60 -5.989 3.456 4.382 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.037 2.262 6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.592 3.189 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.075 4.780 5.552 1.00 0.00 H new ATOM 817 N CYS A 61 -6.535 5.205 6.665 1.00 0.00 N ATOM 818 CA CYS A 61 -7.266 6.204 7.424 1.00 0.00 C ATOM 819 C CYS A 61 -8.514 5.543 8.013 1.00 0.00 C ATOM 820 O CYS A 61 -8.871 5.796 9.163 1.00 0.00 O ATOM 821 CB CYS A 61 -7.616 7.423 6.568 1.00 0.00 C ATOM 822 SG CYS A 61 -6.290 8.678 6.441 1.00 0.00 S ATOM 0 H CYS A 61 -6.467 5.395 5.665 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.639 6.579 8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.873 7.083 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.506 7.896 6.982 1.00 0.00 H new ATOM 826 N PHE A 62 -9.143 4.710 7.198 1.00 0.00 N ATOM 827 CA PHE A 62 -10.343 4.010 7.623 1.00 0.00 C ATOM 828 C PHE A 62 -9.996 2.813 8.510 1.00 0.00 C ATOM 829 O PHE A 62 -10.608 2.614 9.559 1.00 0.00 O ATOM 830 CB PHE A 62 -11.039 3.506 6.357 1.00 0.00 C ATOM 831 CG PHE A 62 -12.426 2.909 6.605 1.00 0.00 C ATOM 832 CD1 PHE A 62 -13.242 3.453 7.547 1.00 0.00 C ATOM 833 CD2 PHE A 62 -12.843 1.835 5.883 1.00 0.00 C ATOM 834 CE1 PHE A 62 -14.529 2.900 7.777 1.00 0.00 C ATOM 835 CE2 PHE A 62 -14.131 1.281 6.113 1.00 0.00 C ATOM 836 CZ PHE A 62 -14.946 1.825 7.055 1.00 0.00 C ATOM 0 H PHE A 62 -8.844 4.504 6.245 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.980 4.681 8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.131 4.332 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.409 2.752 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.911 4.306 8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.195 1.403 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -15.177 3.333 8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -14.462 0.428 5.540 1.00 0.00 H new ATOM 0 HZ PHE A 62 -15.925 1.404 7.230 1.00 0.00 H new ATOM 845 N ARG A 63 -9.014 2.048 8.059 1.00 0.00 N ATOM 846 CA ARG A 63 -8.576 0.876 8.799 1.00 0.00 C ATOM 847 C ARG A 63 -7.243 1.154 9.494 1.00 0.00 C ATOM 848 O ARG A 63 -6.180 0.966 8.904 1.00 0.00 O ATOM 849 CB ARG A 63 -8.420 -0.333 7.874 1.00 0.00 C ATOM 850 CG ARG A 63 -9.077 -1.575 8.479 1.00 0.00 C ATOM 851 CD ARG A 63 -9.641 -2.484 7.385 1.00 0.00 C ATOM 852 NE ARG A 63 -10.706 -3.346 7.944 1.00 0.00 N ATOM 853 CZ ARG A 63 -11.274 -4.364 7.282 1.00 0.00 C ATOM 854 NH1 ARG A 63 -10.881 -4.654 6.034 1.00 0.00 N ATOM 855 NH2 ARG A 63 -12.233 -5.093 7.868 1.00 0.00 N ATOM 0 H ARG A 63 -8.508 2.216 7.189 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.338 0.652 9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.870 -0.115 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.362 -0.526 7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.347 -2.125 9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.877 -1.275 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.040 -1.881 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.845 -3.100 6.966 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.028 -3.154 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.150 -4.100 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.313 -5.429 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.531 -4.874 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.665 -5.867 7.364 1.00 0.00 H new ATOM 866 N SER A 64 -7.342 1.598 10.739 1.00 0.00 N ATOM 867 CA SER A 64 -6.155 1.904 11.520 1.00 0.00 C ATOM 868 C SER A 64 -4.979 1.051 11.042 1.00 0.00 C ATOM 869 O SER A 64 -4.834 -0.099 11.450 1.00 0.00 O ATOM 870 CB SER A 64 -6.405 1.673 13.013 1.00 0.00 C ATOM 871 OG SER A 64 -7.617 2.281 13.451 1.00 0.00 O ATOM 0 H SER A 64 -8.225 1.753 11.226 1.00 0.00 H new ATOM 0 HA SER A 64 -5.913 2.957 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.444 0.602 13.213 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.570 2.074 13.587 1.00 0.00 H new ATOM 0 HG SER A 64 -7.742 2.110 14.408 1.00 0.00 H new ATOM 876 N CYS A 65 -4.167 1.650 10.182 1.00 0.00 N ATOM 877 CA CYS A 65 -3.007 0.961 9.643 1.00 0.00 C ATOM 878 C CYS A 65 -1.755 1.745 10.039 1.00 0.00 C ATOM 879 O CYS A 65 -1.394 2.719 9.379 1.00 0.00 O ATOM 880 CB CYS A 65 -3.112 0.778 8.127 1.00 0.00 C ATOM 881 SG CYS A 65 -2.156 1.987 7.141 1.00 0.00 S ATOM 0 H CYS A 65 -4.290 2.605 9.846 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.951 -0.044 10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.774 -0.226 7.872 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.161 0.844 7.839 1.00 0.00 H new ATOM 885 N ASP A 66 -1.127 1.292 11.113 1.00 0.00 N ATOM 886 CA ASP A 66 0.078 1.939 11.604 1.00 0.00 C ATOM 887 C ASP A 66 1.138 1.939 10.501 1.00 0.00 C ATOM 888 O ASP A 66 0.853 2.308 9.362 1.00 0.00 O ATOM 889 CB ASP A 66 0.651 1.193 12.810 1.00 0.00 C ATOM 890 CG ASP A 66 -0.356 0.886 13.921 1.00 0.00 C ATOM 891 OD1 ASP A 66 -0.840 1.861 14.533 1.00 0.00 O ATOM 892 OD2 ASP A 66 -0.620 -0.318 14.130 1.00 0.00 O ATOM 0 H ASP A 66 -1.430 0.484 11.658 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.182 2.956 11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.085 0.255 12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.464 1.784 13.231 1.00 0.00 H new ATOM 896 N LEU A 67 2.338 1.522 10.877 1.00 0.00 N ATOM 897 CA LEU A 67 3.441 1.471 9.934 1.00 0.00 C ATOM 898 C LEU A 67 3.496 0.080 9.295 1.00 0.00 C ATOM 899 O LEU A 67 4.093 -0.096 8.234 1.00 0.00 O ATOM 900 CB LEU A 67 4.748 1.886 10.613 1.00 0.00 C ATOM 901 CG LEU A 67 5.849 0.825 10.656 1.00 0.00 C ATOM 902 CD1 LEU A 67 7.056 1.254 9.820 1.00 0.00 C ATOM 903 CD2 LEU A 67 6.238 0.497 12.099 1.00 0.00 C ATOM 0 H LEU A 67 2.570 1.216 11.822 1.00 0.00 H new ATOM 0 HA LEU A 67 3.286 2.188 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.138 2.765 10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.523 2.189 11.636 1.00 0.00 H new ATOM 0 HG LEU A 67 5.459 -0.091 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.824 0.482 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.749 1.397 8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.456 2.189 10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.022 -0.260 12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.602 1.399 12.592 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.367 0.118 12.634 1.00 0.00 H new ATOM 914 N ARG A 68 2.864 -0.869 9.969 1.00 0.00 N ATOM 915 CA ARG A 68 2.833 -2.238 9.480 1.00 0.00 C ATOM 916 C ARG A 68 2.256 -2.283 8.064 1.00 0.00 C ATOM 917 O ARG A 68 2.673 -3.102 7.246 1.00 0.00 O ATOM 918 CB ARG A 68 1.992 -3.131 10.395 1.00 0.00 C ATOM 919 CG ARG A 68 2.791 -4.350 10.856 1.00 0.00 C ATOM 920 CD ARG A 68 3.191 -5.227 9.667 1.00 0.00 C ATOM 921 NE ARG A 68 4.580 -5.709 9.836 1.00 0.00 N ATOM 922 CZ ARG A 68 4.936 -6.693 10.673 1.00 0.00 C ATOM 923 NH1 ARG A 68 4.007 -7.306 11.420 1.00 0.00 N ATOM 924 NH2 ARG A 68 6.221 -7.065 10.762 1.00 0.00 N ATOM 0 H ARG A 68 2.370 -0.718 10.848 1.00 0.00 H new ATOM 0 HA ARG A 68 3.858 -2.610 9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.661 -2.560 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.096 -3.457 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.684 -4.023 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.197 -4.934 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.511 -6.075 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.105 -4.659 8.741 1.00 0.00 H new ATOM 0 HE ARG A 68 5.312 -5.265 9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.029 -7.023 11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.278 -8.055 12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.927 -6.599 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.492 -7.814 11.399 1.00 0.00 H new ATOM 935 N ARG A 69 1.307 -1.393 7.817 1.00 0.00 N ATOM 936 CA ARG A 69 0.668 -1.321 6.515 1.00 0.00 C ATOM 937 C ARG A 69 1.657 -0.806 5.467 1.00 0.00 C ATOM 938 O ARG A 69 1.804 -1.403 4.401 1.00 0.00 O ATOM 939 CB ARG A 69 -0.553 -0.400 6.549 1.00 0.00 C ATOM 940 CG ARG A 69 -1.755 -1.057 5.868 1.00 0.00 C ATOM 941 CD ARG A 69 -2.128 -2.369 6.561 1.00 0.00 C ATOM 942 NE ARG A 69 -2.155 -3.473 5.575 1.00 0.00 N ATOM 943 CZ ARG A 69 -2.738 -4.659 5.791 1.00 0.00 C ATOM 944 NH1 ARG A 69 -3.346 -4.904 6.960 1.00 0.00 N ATOM 945 NH2 ARG A 69 -2.712 -5.602 4.839 1.00 0.00 N ATOM 0 H ARG A 69 0.965 -0.715 8.498 1.00 0.00 H new ATOM 0 HA ARG A 69 0.342 -2.327 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.803 -0.159 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.317 0.540 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.606 -0.376 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.524 -1.248 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.408 -2.591 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.103 -2.273 7.039 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.701 -3.321 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.365 -4.187 7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.790 -5.807 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.248 -5.416 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.156 -6.505 5.004 1.00 0.00 H new ATOM 956 N LEU A 70 2.310 0.295 5.806 1.00 0.00 N ATOM 957 CA LEU A 70 3.281 0.896 4.908 1.00 0.00 C ATOM 958 C LEU A 70 4.215 -0.190 4.371 1.00 0.00 C ATOM 959 O LEU A 70 4.630 -0.140 3.215 1.00 0.00 O ATOM 960 CB LEU A 70 4.011 2.048 5.602 1.00 0.00 C ATOM 961 CG LEU A 70 5.334 1.690 6.282 1.00 0.00 C ATOM 962 CD1 LEU A 70 6.464 1.576 5.258 1.00 0.00 C ATOM 963 CD2 LEU A 70 5.666 2.687 7.394 1.00 0.00 C ATOM 0 H LEU A 70 2.186 0.787 6.691 1.00 0.00 H new ATOM 0 HA LEU A 70 2.780 1.339 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.204 2.827 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.344 2.476 6.351 1.00 0.00 H new ATOM 0 HG LEU A 70 5.224 0.711 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.393 1.321 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.222 0.798 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.584 2.528 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.611 2.410 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.750 3.688 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.874 2.674 8.143 1.00 0.00 H new ATOM 974 N GLU A 71 4.517 -1.145 5.237 1.00 0.00 N ATOM 975 CA GLU A 71 5.395 -2.243 4.865 1.00 0.00 C ATOM 976 C GLU A 71 4.623 -3.289 4.060 1.00 0.00 C ATOM 977 O GLU A 71 5.205 -4.006 3.248 1.00 0.00 O ATOM 978 CB GLU A 71 6.043 -2.870 6.101 1.00 0.00 C ATOM 979 CG GLU A 71 5.381 -4.204 6.450 1.00 0.00 C ATOM 980 CD GLU A 71 5.987 -5.348 5.634 1.00 0.00 C ATOM 981 OE1 GLU A 71 7.222 -5.516 5.723 1.00 0.00 O ATOM 982 OE2 GLU A 71 5.202 -6.027 4.938 1.00 0.00 O ATOM 0 H GLU A 71 4.170 -1.182 6.195 1.00 0.00 H new ATOM 0 HA GLU A 71 6.194 -1.848 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.107 -3.024 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.960 -2.187 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.503 -4.407 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.310 -4.144 6.258 1.00 0.00 H new ATOM 987 N MET A 72 3.323 -3.345 4.313 1.00 0.00 N ATOM 988 CA MET A 72 2.465 -4.292 3.622 1.00 0.00 C ATOM 989 C MET A 72 2.523 -4.079 2.108 1.00 0.00 C ATOM 990 O MET A 72 2.774 -5.019 1.355 1.00 0.00 O ATOM 991 CB MET A 72 1.024 -4.125 4.107 1.00 0.00 C ATOM 992 CG MET A 72 0.605 -5.298 4.995 1.00 0.00 C ATOM 993 SD MET A 72 0.552 -6.802 4.033 1.00 0.00 S ATOM 994 CE MET A 72 0.329 -7.997 5.340 1.00 0.00 C ATOM 0 H MET A 72 2.843 -2.749 4.988 1.00 0.00 H new ATOM 0 HA MET A 72 2.816 -5.300 3.842 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.929 -3.192 4.662 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.354 -4.055 3.250 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.308 -5.409 5.821 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.374 -5.102 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.275 -8.998 4.912 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.171 -7.942 6.031 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.595 -7.781 5.876 1.00 0.00 H new ATOM 1002 N TYR A 73 2.285 -2.839 1.707 1.00 0.00 N ATOM 1003 CA TYR A 73 2.306 -2.491 0.296 1.00 0.00 C ATOM 1004 C TYR A 73 3.671 -1.929 -0.110 1.00 0.00 C ATOM 1005 O TYR A 73 4.003 -1.893 -1.294 1.00 0.00 O ATOM 1006 CB TYR A 73 1.246 -1.404 0.114 1.00 0.00 C ATOM 1007 CG TYR A 73 0.352 -1.605 -1.112 1.00 0.00 C ATOM 1008 CD1 TYR A 73 -0.506 -2.684 -1.171 1.00 0.00 C ATOM 1009 CD2 TYR A 73 0.405 -0.707 -2.159 1.00 0.00 C ATOM 1010 CE1 TYR A 73 -1.346 -2.873 -2.325 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -0.435 -0.897 -3.312 1.00 0.00 C ATOM 1012 CZ TYR A 73 -1.269 -1.970 -3.339 1.00 0.00 C ATOM 1013 OH TYR A 73 -2.064 -2.148 -4.428 1.00 0.00 O ATOM 0 H TYR A 73 2.077 -2.062 2.335 1.00 0.00 H new ATOM 0 HA TYR A 73 2.113 -3.370 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.620 -1.369 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.742 -0.437 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.547 -3.387 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.076 0.138 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.022 -3.713 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.403 -0.202 -4.138 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.112 -1.312 -4.938 1.00 0.00 H new ATOM 1022 N CYS A 74 4.423 -1.505 0.895 1.00 0.00 N ATOM 1023 CA CYS A 74 5.743 -0.947 0.658 1.00 0.00 C ATOM 1024 C CYS A 74 6.141 -1.253 -0.787 1.00 0.00 C ATOM 1025 O CYS A 74 7.221 -1.786 -1.039 1.00 0.00 O ATOM 1026 CB CYS A 74 6.771 -1.480 1.657 1.00 0.00 C ATOM 1027 SG CYS A 74 7.903 -0.216 2.343 1.00 0.00 S ATOM 0 H CYS A 74 4.143 -1.537 1.875 1.00 0.00 H new ATOM 0 HA CYS A 74 5.716 0.133 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.242 -1.959 2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.365 -2.252 1.168 1.00 0.00 H new ATOM 1031 N ALA A 75 5.247 -0.903 -1.700 1.00 0.00 N ATOM 1032 CA ALA A 75 5.492 -1.133 -3.114 1.00 0.00 C ATOM 1033 C ALA A 75 6.892 -0.631 -3.474 1.00 0.00 C ATOM 1034 O ALA A 75 7.492 0.137 -2.723 1.00 0.00 O ATOM 1035 CB ALA A 75 4.399 -0.450 -3.940 1.00 0.00 C ATOM 0 H ALA A 75 4.352 -0.462 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 75 5.455 -2.199 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.583 -0.623 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.427 -0.862 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.408 0.621 -3.740 1.00 0.00 H new ATOM 1041 N PRO A 76 7.384 -1.097 -4.652 1.00 0.00 N ATOM 1042 CA PRO A 76 8.703 -0.704 -5.121 1.00 0.00 C ATOM 1043 C PRO A 76 8.690 0.730 -5.653 1.00 0.00 C ATOM 1044 O PRO A 76 8.787 0.949 -6.860 1.00 0.00 O ATOM 1045 CB PRO A 76 9.066 -1.729 -6.182 1.00 0.00 C ATOM 1046 CG PRO A 76 7.755 -2.378 -6.598 1.00 0.00 C ATOM 1047 CD PRO A 76 6.702 -2.008 -5.567 1.00 0.00 C ATOM 0 HA PRO A 76 9.447 -0.696 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.555 -1.254 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.761 -2.470 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.457 -2.034 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.867 -3.461 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.841 -1.529 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.332 -2.890 -5.045 1.00 0.00 H new