USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 318 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 59 CYS SG : rot 150:sc= 0.596 USER MOD Set 1.2: A 62 CYS SG : rot -42:sc= -1.04 USER MOD Set 1.3: A 80 CYS SG : rot -127:sc= 0.239 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.32 X(o=-0.46,f=-0.28) USER MOD Set 1.5: A 83 CYS SG : rot 85:sc= 0.0666 USER MOD Single : A 38 THR OG1 : rot 36:sc= 0.0828 USER MOD Single : A 55 SER OG : rot -33:sc= 0.151 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.092 F(o=-0.66,f=-0.092) USER MOD Single : A 84 GLN : amide:sc= -0.842 K(o=-0.84,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 8.690 -11.938 -34.257 1.00 0.00 N ATOM 235 CA THR A 38 7.888 -10.760 -33.870 1.00 0.00 C ATOM 236 C THR A 38 7.342 -10.029 -35.119 1.00 0.00 C ATOM 237 O THR A 38 6.190 -9.558 -35.129 1.00 0.00 O ATOM 238 CB THR A 38 8.757 -9.782 -33.009 1.00 0.00 C ATOM 239 OG1 THR A 38 9.265 -10.473 -31.848 1.00 0.00 O ATOM 240 CG2 THR A 38 7.971 -8.535 -32.566 1.00 0.00 C ATOM 0 HA THR A 38 7.039 -11.101 -33.278 1.00 0.00 H new ATOM 0 HB THR A 38 9.582 -9.443 -33.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.474 -11.401 -32.085 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.618 -7.889 -31.972 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.624 -7.992 -33.445 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.113 -8.840 -31.966 1.00 0.00 H new ATOM 248 N ILE A 39 8.178 -9.983 -36.173 1.00 0.00 N ATOM 249 CA ILE A 39 7.846 -9.318 -37.450 1.00 0.00 C ATOM 250 C ILE A 39 6.660 -10.052 -38.108 1.00 0.00 C ATOM 251 O ILE A 39 5.673 -9.431 -38.528 1.00 0.00 O ATOM 252 CB ILE A 39 9.089 -9.277 -38.450 1.00 0.00 C ATOM 253 CG1 ILE A 39 10.299 -8.444 -37.868 1.00 0.00 C ATOM 254 CG2 ILE A 39 8.678 -8.742 -39.851 1.00 0.00 C ATOM 255 CD1 ILE A 39 11.126 -9.133 -36.787 1.00 0.00 C ATOM 0 H ILE A 39 9.106 -10.407 -36.164 1.00 0.00 H new ATOM 0 HA ILE A 39 7.577 -8.284 -37.233 1.00 0.00 H new ATOM 0 HB ILE A 39 9.427 -10.307 -38.564 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.962 -8.180 -38.692 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.910 -7.511 -37.460 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.550 -8.728 -40.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.914 -9.391 -40.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.282 -7.731 -39.753 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.927 -8.469 -36.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.487 -9.372 -35.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.556 -10.051 -37.188 1.00 0.00 H new ATOM 267 N GLU A 40 6.752 -11.394 -38.109 1.00 0.00 N ATOM 268 CA GLU A 40 5.754 -12.276 -38.744 1.00 0.00 C ATOM 269 C GLU A 40 4.531 -12.476 -37.836 1.00 0.00 C ATOM 270 O GLU A 40 3.498 -12.937 -38.306 1.00 0.00 O ATOM 271 CB GLU A 40 6.392 -13.638 -39.122 1.00 0.00 C ATOM 272 CG GLU A 40 6.786 -14.534 -37.935 1.00 0.00 C ATOM 273 CD GLU A 40 7.615 -15.754 -38.358 1.00 0.00 C ATOM 274 OE1 GLU A 40 7.088 -16.606 -39.105 1.00 0.00 O ATOM 275 OE2 GLU A 40 8.801 -15.859 -37.972 1.00 0.00 O ATOM 0 H GLU A 40 7.521 -11.899 -37.669 1.00 0.00 H new ATOM 0 HA GLU A 40 5.411 -11.793 -39.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.691 -14.186 -39.752 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.281 -13.449 -39.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.355 -13.946 -37.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.883 -14.873 -37.427 1.00 0.00 H new ATOM 282 N ASP A 41 4.668 -12.142 -36.532 1.00 0.00 N ATOM 283 CA ASP A 41 3.540 -12.143 -35.571 1.00 0.00 C ATOM 284 C ASP A 41 2.590 -10.968 -35.869 1.00 0.00 C ATOM 285 O ASP A 41 1.368 -11.124 -35.832 1.00 0.00 O ATOM 286 CB ASP A 41 4.055 -12.060 -34.110 1.00 0.00 C ATOM 287 CG ASP A 41 2.916 -12.008 -33.068 1.00 0.00 C ATOM 288 OD1 ASP A 41 2.347 -13.071 -32.734 1.00 0.00 O ATOM 289 OD2 ASP A 41 2.584 -10.901 -32.576 1.00 0.00 O ATOM 0 H ASP A 41 5.558 -11.866 -36.118 1.00 0.00 H new ATOM 0 HA ASP A 41 2.994 -13.079 -35.685 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.688 -12.923 -33.905 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.680 -11.173 -34.001 1.00 0.00 H new ATOM 294 N ALA A 42 3.184 -9.793 -36.174 1.00 0.00 N ATOM 295 CA ALA A 42 2.434 -8.581 -36.580 1.00 0.00 C ATOM 296 C ALA A 42 1.642 -8.824 -37.884 1.00 0.00 C ATOM 297 O ALA A 42 0.591 -8.216 -38.119 1.00 0.00 O ATOM 298 CB ALA A 42 3.402 -7.398 -36.739 1.00 0.00 C ATOM 0 H ALA A 42 4.195 -9.657 -36.146 1.00 0.00 H new ATOM 0 HA ALA A 42 1.712 -8.343 -35.799 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.845 -6.510 -37.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.905 -7.209 -35.790 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.144 -7.635 -37.502 1.00 0.00 H new ATOM 304 N ILE A 43 2.172 -9.730 -38.713 1.00 0.00 N ATOM 305 CA ILE A 43 1.539 -10.169 -39.968 1.00 0.00 C ATOM 306 C ILE A 43 0.499 -11.296 -39.698 1.00 0.00 C ATOM 307 O ILE A 43 -0.573 -11.340 -40.319 1.00 0.00 O ATOM 308 CB ILE A 43 2.656 -10.646 -40.982 1.00 0.00 C ATOM 309 CG1 ILE A 43 3.714 -9.513 -41.224 1.00 0.00 C ATOM 310 CG2 ILE A 43 2.064 -11.131 -42.326 1.00 0.00 C ATOM 311 CD1 ILE A 43 3.161 -8.233 -41.842 1.00 0.00 C ATOM 0 H ILE A 43 3.065 -10.187 -38.531 1.00 0.00 H new ATOM 0 HA ILE A 43 1.000 -9.332 -40.411 1.00 0.00 H new ATOM 0 HB ILE A 43 3.154 -11.500 -40.522 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.182 -9.265 -40.272 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.498 -9.902 -41.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.872 -11.447 -42.986 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.393 -11.971 -42.146 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.510 -10.317 -42.794 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.969 -7.512 -41.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.720 -8.459 -42.813 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.399 -7.812 -41.186 1.00 0.00 H new ATOM 323 N ALA A 44 0.814 -12.176 -38.727 1.00 0.00 N ATOM 324 CA ALA A 44 0.011 -13.380 -38.414 1.00 0.00 C ATOM 325 C ALA A 44 -1.315 -13.035 -37.718 1.00 0.00 C ATOM 326 O ALA A 44 -2.338 -13.670 -37.975 1.00 0.00 O ATOM 327 CB ALA A 44 0.821 -14.351 -37.544 1.00 0.00 C ATOM 0 H ALA A 44 1.637 -12.073 -38.133 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.233 -13.856 -39.364 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.217 -15.231 -37.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.721 -14.654 -38.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.100 -13.859 -36.613 1.00 0.00 H new ATOM 333 N ARG A 45 -1.272 -12.011 -36.848 1.00 0.00 N ATOM 334 CA ARG A 45 -2.440 -11.548 -36.069 1.00 0.00 C ATOM 335 C ARG A 45 -3.555 -10.996 -36.989 1.00 0.00 C ATOM 336 O ARG A 45 -4.734 -11.009 -36.622 1.00 0.00 O ATOM 337 CB ARG A 45 -2.002 -10.458 -35.047 1.00 0.00 C ATOM 338 CG ARG A 45 -1.457 -9.169 -35.702 1.00 0.00 C ATOM 339 CD ARG A 45 -1.009 -8.097 -34.697 1.00 0.00 C ATOM 340 NE ARG A 45 -0.496 -6.900 -35.394 1.00 0.00 N ATOM 341 CZ ARG A 45 -0.123 -5.753 -34.808 1.00 0.00 C ATOM 342 NH1 ARG A 45 -0.147 -5.613 -33.487 1.00 0.00 N ATOM 343 NH2 ARG A 45 0.288 -4.747 -35.568 1.00 0.00 N ATOM 0 H ARG A 45 -0.423 -11.477 -36.663 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.845 -12.406 -35.532 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.854 -10.202 -34.417 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.235 -10.874 -34.393 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.613 -9.428 -36.341 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.228 -8.748 -36.347 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.847 -7.819 -34.058 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.234 -8.504 -34.047 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.419 -6.950 -36.410 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.453 -6.387 -32.898 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.141 -4.732 -33.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.317 -4.853 -36.582 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.575 -3.868 -35.138 1.00 0.00 H new ATOM 357 N ALA A 46 -3.158 -10.528 -38.193 1.00 0.00 N ATOM 358 CA ALA A 46 -4.058 -9.853 -39.137 1.00 0.00 C ATOM 359 C ALA A 46 -4.453 -10.788 -40.301 1.00 0.00 C ATOM 360 O ALA A 46 -5.602 -11.222 -40.372 1.00 0.00 O ATOM 361 CB ALA A 46 -3.386 -8.575 -39.651 1.00 0.00 C ATOM 0 H ALA A 46 -2.200 -10.611 -38.533 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.979 -9.585 -38.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.051 -8.071 -40.352 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.174 -7.913 -38.812 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.454 -8.831 -40.155 1.00 0.00 H new ATOM 367 N ARG A 47 -3.485 -11.115 -41.201 1.00 0.00 N ATOM 368 CA ARG A 47 -3.764 -11.900 -42.438 1.00 0.00 C ATOM 369 C ARG A 47 -3.569 -13.415 -42.226 1.00 0.00 C ATOM 370 O ARG A 47 -4.077 -14.219 -43.013 1.00 0.00 O ATOM 371 CB ARG A 47 -2.904 -11.369 -43.637 1.00 0.00 C ATOM 372 CG ARG A 47 -1.349 -11.512 -43.517 1.00 0.00 C ATOM 373 CD ARG A 47 -0.783 -12.855 -44.055 1.00 0.00 C ATOM 374 NE ARG A 47 -1.032 -13.016 -45.499 1.00 0.00 N ATOM 375 CZ ARG A 47 -1.015 -14.176 -46.178 1.00 0.00 C ATOM 376 NH1 ARG A 47 -0.804 -15.334 -45.565 1.00 0.00 N ATOM 377 NH2 ARG A 47 -1.230 -14.165 -47.483 1.00 0.00 N ATOM 0 H ARG A 47 -2.506 -10.848 -41.094 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.816 -11.757 -42.685 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.223 -11.890 -44.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.137 -10.314 -43.779 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.878 -10.691 -44.058 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.067 -11.407 -42.469 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.289 -12.900 -43.864 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.238 -13.684 -43.513 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.236 -12.170 -46.031 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.650 -15.357 -44.557 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.796 -16.201 -46.102 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.406 -13.283 -47.963 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.220 -15.039 -48.009 1.00 0.00 H new ATOM 391 N GLY A 48 -2.838 -13.799 -41.163 1.00 0.00 N ATOM 392 CA GLY A 48 -2.523 -15.214 -40.898 1.00 0.00 C ATOM 393 C GLY A 48 -1.287 -15.672 -41.671 1.00 0.00 C ATOM 394 O GLY A 48 -1.383 -16.026 -42.854 1.00 0.00 O ATOM 0 H GLY A 48 -2.455 -13.150 -40.475 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.358 -15.356 -39.830 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.376 -15.835 -41.174 1.00 0.00 H new ATOM 398 N GLU A 49 -0.123 -15.646 -41.003 1.00 0.00 N ATOM 399 CA GLU A 49 1.185 -15.932 -41.620 1.00 0.00 C ATOM 400 C GLU A 49 1.767 -17.212 -41.021 1.00 0.00 C ATOM 401 O GLU A 49 2.211 -18.109 -41.745 1.00 0.00 O ATOM 402 CB GLU A 49 2.151 -14.739 -41.402 1.00 0.00 C ATOM 403 CG GLU A 49 3.514 -14.884 -42.104 1.00 0.00 C ATOM 404 CD GLU A 49 3.373 -15.104 -43.624 1.00 0.00 C ATOM 405 OE1 GLU A 49 3.109 -14.120 -44.357 1.00 0.00 O ATOM 406 OE2 GLU A 49 3.519 -16.255 -44.094 1.00 0.00 O ATOM 0 H GLU A 49 -0.061 -15.424 -40.009 1.00 0.00 H new ATOM 0 HA GLU A 49 1.053 -16.074 -42.693 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.669 -13.828 -41.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.319 -14.615 -40.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.110 -13.989 -41.923 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.057 -15.722 -41.667 1.00 0.00 H new ATOM 413 N ILE A 50 1.799 -17.258 -39.681 1.00 0.00 N ATOM 414 CA ILE A 50 2.085 -18.484 -38.931 1.00 0.00 C ATOM 415 C ILE A 50 1.034 -19.566 -39.324 1.00 0.00 C ATOM 416 O ILE A 50 -0.141 -19.232 -39.507 1.00 0.00 O ATOM 417 CB ILE A 50 2.059 -18.198 -37.372 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.177 -17.184 -36.962 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.172 -19.499 -36.542 1.00 0.00 C ATOM 420 CD1 ILE A 50 4.599 -17.697 -37.145 1.00 0.00 C ATOM 0 H ILE A 50 1.627 -16.445 -39.089 1.00 0.00 H new ATOM 0 HA ILE A 50 3.082 -18.848 -39.178 1.00 0.00 H new ATOM 0 HB ILE A 50 1.091 -17.749 -37.149 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.055 -16.273 -37.548 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.035 -16.911 -35.916 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.150 -19.256 -35.480 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.336 -20.157 -36.781 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.109 -20.002 -36.780 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.306 -16.927 -36.836 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.745 -18.590 -36.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.765 -17.942 -38.194 1.00 0.00 H new ATOM 492 N SER A 55 -1.531 -22.782 -32.944 1.00 0.00 N ATOM 493 CA SER A 55 -2.937 -23.090 -32.657 1.00 0.00 C ATOM 494 C SER A 55 -3.083 -24.542 -32.152 1.00 0.00 C ATOM 495 O SER A 55 -2.624 -25.488 -32.806 1.00 0.00 O ATOM 496 CB SER A 55 -3.766 -22.833 -33.929 1.00 0.00 C ATOM 497 OG SER A 55 -3.245 -23.511 -35.050 1.00 0.00 O ATOM 0 HA SER A 55 -3.309 -22.445 -31.861 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.795 -23.151 -33.760 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.792 -21.763 -34.134 1.00 0.00 H new ATOM 0 HG SER A 55 -2.269 -23.560 -34.978 1.00 0.00 H new ATOM 503 N LEU A 56 -3.712 -24.691 -30.969 1.00 0.00 N ATOM 504 CA LEU A 56 -3.845 -25.990 -30.260 1.00 0.00 C ATOM 505 C LEU A 56 -5.091 -26.783 -30.732 1.00 0.00 C ATOM 506 O LEU A 56 -5.822 -26.333 -31.622 1.00 0.00 O ATOM 507 CB LEU A 56 -3.845 -25.740 -28.707 1.00 0.00 C ATOM 508 CG LEU A 56 -4.734 -24.551 -28.174 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.233 -24.764 -28.418 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.470 -24.234 -26.686 1.00 0.00 C ATOM 0 H LEU A 56 -4.146 -23.913 -30.472 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.988 -26.616 -30.507 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.174 -26.656 -28.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.817 -25.562 -28.392 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.428 -23.685 -28.762 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.790 -23.912 -28.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.417 -24.860 -29.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.559 -25.672 -27.911 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.108 -23.408 -26.371 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.691 -25.114 -26.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.425 -23.956 -26.553 1.00 0.00 H new ATOM 522 N ASP A 57 -5.338 -27.937 -30.085 1.00 0.00 N ATOM 523 CA ASP A 57 -6.426 -28.871 -30.451 1.00 0.00 C ATOM 524 C ASP A 57 -7.519 -28.926 -29.344 1.00 0.00 C ATOM 525 O ASP A 57 -8.618 -29.438 -29.568 1.00 0.00 O ATOM 526 CB ASP A 57 -5.814 -30.277 -30.689 1.00 0.00 C ATOM 527 CG ASP A 57 -6.820 -31.293 -31.253 1.00 0.00 C ATOM 528 OD1 ASP A 57 -7.190 -31.155 -32.435 1.00 0.00 O ATOM 529 OD2 ASP A 57 -7.256 -32.213 -30.523 1.00 0.00 O ATOM 0 H ASP A 57 -4.786 -28.252 -29.287 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.910 -28.520 -31.362 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.974 -30.188 -31.378 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.415 -30.656 -29.748 1.00 0.00 H new ATOM 534 N GLU A 58 -7.239 -28.315 -28.175 1.00 0.00 N ATOM 535 CA GLU A 58 -8.069 -28.431 -26.945 1.00 0.00 C ATOM 536 C GLU A 58 -8.221 -27.048 -26.295 1.00 0.00 C ATOM 537 O GLU A 58 -7.229 -26.436 -25.900 1.00 0.00 O ATOM 538 CB GLU A 58 -7.437 -29.426 -25.927 1.00 0.00 C ATOM 539 CG GLU A 58 -7.492 -30.897 -26.372 1.00 0.00 C ATOM 540 CD GLU A 58 -6.647 -31.818 -25.484 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.400 -31.759 -25.577 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.207 -32.598 -24.689 1.00 0.00 O ATOM 0 H GLU A 58 -6.421 -27.718 -28.051 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.049 -28.816 -27.229 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.397 -29.147 -25.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.951 -29.327 -24.971 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.527 -31.237 -26.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.144 -30.974 -27.402 1.00 0.00 H new ATOM 549 N CYS A 59 -9.472 -26.569 -26.240 1.00 0.00 N ATOM 550 CA CYS A 59 -9.861 -25.279 -25.628 1.00 0.00 C ATOM 551 C CYS A 59 -9.316 -25.114 -24.189 1.00 0.00 C ATOM 552 O CYS A 59 -9.495 -26.003 -23.367 1.00 0.00 O ATOM 553 CB CYS A 59 -11.395 -25.218 -25.626 1.00 0.00 C ATOM 554 SG CYS A 59 -12.126 -23.739 -24.890 1.00 0.00 S ATOM 0 H CYS A 59 -10.266 -27.077 -26.629 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.429 -24.464 -26.209 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.744 -25.298 -26.656 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.773 -26.090 -25.093 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.256 -23.475 -25.477 1.00 0.00 H new ATOM 559 N GLU A 60 -8.658 -23.971 -23.902 1.00 0.00 N ATOM 560 CA GLU A 60 -8.088 -23.675 -22.565 1.00 0.00 C ATOM 561 C GLU A 60 -9.186 -23.441 -21.497 1.00 0.00 C ATOM 562 O GLU A 60 -8.932 -23.565 -20.294 1.00 0.00 O ATOM 563 CB GLU A 60 -7.151 -22.434 -22.638 1.00 0.00 C ATOM 564 CG GLU A 60 -7.868 -21.111 -23.013 1.00 0.00 C ATOM 565 CD GLU A 60 -7.058 -19.848 -22.680 1.00 0.00 C ATOM 566 OE1 GLU A 60 -6.816 -19.595 -21.482 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.677 -19.091 -23.592 1.00 0.00 O ATOM 0 H GLU A 60 -8.506 -23.229 -24.585 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.514 -24.551 -22.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.661 -22.307 -21.673 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.367 -22.628 -23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.088 -21.119 -24.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.824 -21.066 -22.491 1.00 0.00 H new ATOM 574 N GLU A 61 -10.400 -23.112 -21.966 1.00 0.00 N ATOM 575 CA GLU A 61 -11.529 -22.717 -21.108 1.00 0.00 C ATOM 576 C GLU A 61 -12.311 -23.946 -20.650 1.00 0.00 C ATOM 577 O GLU A 61 -12.435 -24.206 -19.453 1.00 0.00 O ATOM 578 CB GLU A 61 -12.453 -21.753 -21.902 1.00 0.00 C ATOM 579 CG GLU A 61 -11.730 -20.537 -22.503 1.00 0.00 C ATOM 580 CD GLU A 61 -11.241 -19.509 -21.466 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.233 -19.766 -20.781 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.878 -18.442 -21.325 1.00 0.00 O ATOM 0 H GLU A 61 -10.628 -23.113 -22.960 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.149 -22.211 -20.220 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.934 -22.309 -22.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.245 -21.400 -21.241 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.874 -20.887 -23.080 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.403 -20.039 -23.201 1.00 0.00 H new ATOM 589 N CYS A 62 -12.811 -24.725 -21.626 1.00 0.00 N ATOM 590 CA CYS A 62 -13.747 -25.837 -21.348 1.00 0.00 C ATOM 591 C CYS A 62 -13.274 -27.180 -21.949 1.00 0.00 C ATOM 592 O CYS A 62 -14.042 -28.147 -21.957 1.00 0.00 O ATOM 593 CB CYS A 62 -15.162 -25.450 -21.853 1.00 0.00 C ATOM 594 SG CYS A 62 -15.381 -25.431 -23.672 1.00 0.00 S ATOM 0 H CYS A 62 -12.585 -24.608 -22.614 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.779 -25.995 -20.270 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.883 -26.147 -21.426 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.408 -24.461 -21.466 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.344 -24.879 -24.228 1.00 0.00 H new ATOM 599 N GLY A 63 -11.995 -27.232 -22.407 1.00 0.00 N ATOM 600 CA GLY A 63 -11.389 -28.439 -23.029 1.00 0.00 C ATOM 601 C GLY A 63 -12.173 -29.022 -24.201 1.00 0.00 C ATOM 602 O GLY A 63 -12.056 -30.214 -24.505 1.00 0.00 O ATOM 0 H GLY A 63 -11.356 -26.439 -22.355 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.385 -28.188 -23.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.282 -29.208 -22.264 1.00 0.00 H new ATOM 606 N ALA A 64 -12.965 -28.169 -24.859 1.00 0.00 N ATOM 607 CA ALA A 64 -13.798 -28.559 -26.008 1.00 0.00 C ATOM 608 C ALA A 64 -12.926 -28.724 -27.269 1.00 0.00 C ATOM 609 O ALA A 64 -11.911 -28.009 -27.400 1.00 0.00 O ATOM 610 CB ALA A 64 -14.892 -27.512 -26.231 1.00 0.00 C ATOM 0 H ALA A 64 -13.049 -27.183 -24.611 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.273 -29.518 -25.800 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.507 -27.804 -27.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.516 -27.442 -25.340 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.433 -26.543 -26.430 1.00 0.00 H new ATOM 616 N PRO A 65 -13.314 -29.636 -28.218 1.00 0.00 N ATOM 617 CA PRO A 65 -12.561 -29.856 -29.471 1.00 0.00 C ATOM 618 C PRO A 65 -12.461 -28.570 -30.330 1.00 0.00 C ATOM 619 O PRO A 65 -13.473 -28.019 -30.771 1.00 0.00 O ATOM 620 CB PRO A 65 -13.360 -30.982 -30.195 1.00 0.00 C ATOM 621 CG PRO A 65 -14.721 -30.955 -29.568 1.00 0.00 C ATOM 622 CD PRO A 65 -14.500 -30.538 -28.133 1.00 0.00 C ATOM 0 HA PRO A 65 -11.523 -30.134 -29.286 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.416 -30.799 -31.268 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.883 -31.953 -30.062 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.376 -30.253 -30.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.197 -31.934 -29.623 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.369 -30.022 -27.725 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.308 -31.396 -27.489 1.00 0.00 H new ATOM 630 N ILE A 66 -11.225 -28.076 -30.479 1.00 0.00 N ATOM 631 CA ILE A 66 -10.888 -26.952 -31.362 1.00 0.00 C ATOM 632 C ILE A 66 -10.942 -27.420 -32.833 1.00 0.00 C ATOM 633 O ILE A 66 -10.156 -28.301 -33.207 1.00 0.00 O ATOM 634 CB ILE A 66 -9.441 -26.415 -31.029 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.356 -25.933 -29.555 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.001 -25.299 -32.015 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.901 -24.561 -29.305 1.00 0.00 C ATOM 0 H ILE A 66 -10.418 -28.452 -29.981 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.608 -26.148 -31.207 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.745 -27.244 -31.153 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.894 -26.642 -28.925 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.313 -25.956 -29.241 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.000 -24.956 -31.753 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.995 -25.693 -33.031 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.699 -24.464 -31.954 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.797 -24.315 -28.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.349 -23.836 -29.902 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.955 -24.532 -29.582 1.00 0.00 H new ATOM 649 N PRO A 67 -11.873 -26.880 -33.682 1.00 0.00 N ATOM 650 CA PRO A 67 -11.923 -27.222 -35.122 1.00 0.00 C ATOM 651 C PRO A 67 -10.794 -26.507 -35.893 1.00 0.00 C ATOM 652 O PRO A 67 -10.312 -25.445 -35.460 1.00 0.00 O ATOM 653 CB PRO A 67 -13.325 -26.722 -35.551 1.00 0.00 C ATOM 654 CG PRO A 67 -13.590 -25.553 -34.647 1.00 0.00 C ATOM 655 CD PRO A 67 -12.932 -25.896 -33.319 1.00 0.00 C ATOM 0 HA PRO A 67 -11.777 -28.283 -35.326 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.339 -26.426 -36.600 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.080 -27.499 -35.429 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.175 -24.635 -35.063 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.661 -25.390 -34.522 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.508 -25.011 -32.844 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.649 -26.322 -32.617 1.00 0.00 H new ATOM 663 N GLN A 68 -10.393 -27.085 -37.042 1.00 0.00 N ATOM 664 CA GLN A 68 -9.301 -26.541 -37.864 1.00 0.00 C ATOM 665 C GLN A 68 -9.648 -25.163 -38.448 1.00 0.00 C ATOM 666 O GLN A 68 -8.742 -24.434 -38.814 1.00 0.00 O ATOM 667 CB GLN A 68 -8.881 -27.501 -39.000 1.00 0.00 C ATOM 668 CG GLN A 68 -10.010 -27.908 -39.985 1.00 0.00 C ATOM 669 CD GLN A 68 -9.540 -28.092 -41.427 1.00 0.00 C ATOM 670 OE1 GLN A 68 -8.716 -27.171 -41.914 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.000 -28.987 -42.137 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.814 -27.933 -37.421 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.454 -26.427 -37.187 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.078 -27.033 -39.569 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.469 -28.406 -38.553 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.462 -28.838 -39.640 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.790 -27.147 -39.962 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.631 -29.682 -41.737 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.750 -29.034 -43.125 1.00 0.00 H new ATOM 680 N ALA A 69 -10.956 -24.822 -38.507 1.00 0.00 N ATOM 681 CA ALA A 69 -11.433 -23.507 -38.996 1.00 0.00 C ATOM 682 C ALA A 69 -10.929 -22.377 -38.083 1.00 0.00 C ATOM 683 O ALA A 69 -10.647 -21.271 -38.541 1.00 0.00 O ATOM 684 CB ALA A 69 -12.970 -23.489 -39.088 1.00 0.00 C ATOM 0 H ALA A 69 -11.708 -25.448 -38.218 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.030 -23.344 -39.996 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.302 -22.515 -39.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.302 -24.264 -39.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.396 -23.675 -38.102 1.00 0.00 H new ATOM 690 N ARG A 70 -10.838 -22.676 -36.773 1.00 0.00 N ATOM 691 CA ARG A 70 -10.236 -21.766 -35.777 1.00 0.00 C ATOM 692 C ARG A 70 -8.704 -21.728 -35.914 1.00 0.00 C ATOM 693 O ARG A 70 -8.085 -20.682 -35.732 1.00 0.00 O ATOM 694 CB ARG A 70 -10.630 -22.193 -34.331 1.00 0.00 C ATOM 695 CG ARG A 70 -12.128 -22.023 -33.957 1.00 0.00 C ATOM 696 CD ARG A 70 -12.595 -20.544 -33.890 1.00 0.00 C ATOM 697 NE ARG A 70 -12.659 -19.899 -35.220 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.692 -18.574 -35.450 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.742 -17.703 -34.451 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.685 -18.130 -36.697 1.00 0.00 N ATOM 0 H ARG A 70 -11.178 -23.552 -36.375 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.624 -20.765 -35.967 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.358 -23.240 -34.196 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.032 -21.615 -33.627 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.738 -22.554 -34.688 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.307 -22.495 -32.991 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.579 -20.500 -33.423 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.913 -19.982 -33.252 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.680 -20.513 -36.034 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.756 -18.034 -33.486 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.766 -16.702 -34.648 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.655 -18.791 -37.473 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.710 -17.127 -36.881 1.00 0.00 H new ATOM 714 N ARG A 71 -8.111 -22.887 -36.246 1.00 0.00 N ATOM 715 CA ARG A 71 -6.642 -23.085 -36.242 1.00 0.00 C ATOM 716 C ARG A 71 -5.956 -22.442 -37.458 1.00 0.00 C ATOM 717 O ARG A 71 -4.812 -21.985 -37.358 1.00 0.00 O ATOM 718 CB ARG A 71 -6.316 -24.599 -36.173 1.00 0.00 C ATOM 719 CG ARG A 71 -6.968 -25.305 -34.969 1.00 0.00 C ATOM 720 CD ARG A 71 -6.559 -26.775 -34.833 1.00 0.00 C ATOM 721 NE ARG A 71 -5.137 -26.915 -34.497 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.486 -28.073 -34.379 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.090 -29.231 -34.606 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.218 -28.069 -34.048 1.00 0.00 N ATOM 0 H ARG A 71 -8.633 -23.717 -36.526 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.247 -22.584 -35.358 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.651 -25.079 -37.093 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.235 -24.730 -36.121 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.698 -24.774 -34.056 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.052 -25.244 -35.065 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.164 -27.251 -34.061 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.765 -27.298 -35.767 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.605 -26.059 -34.341 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.073 -29.249 -34.877 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.572 -30.104 -34.509 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.737 -27.185 -33.883 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.712 -28.950 -33.955 1.00 0.00 H new ATOM 738 N GLU A 72 -6.661 -22.428 -38.599 1.00 0.00 N ATOM 739 CA GLU A 72 -6.142 -21.874 -39.862 1.00 0.00 C ATOM 740 C GLU A 72 -6.370 -20.356 -39.878 1.00 0.00 C ATOM 741 O GLU A 72 -5.458 -19.584 -40.211 1.00 0.00 O ATOM 742 CB GLU A 72 -6.809 -22.562 -41.092 1.00 0.00 C ATOM 743 CG GLU A 72 -8.347 -22.440 -41.152 1.00 0.00 C ATOM 744 CD GLU A 72 -8.978 -23.149 -42.353 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.050 -22.538 -43.441 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.384 -24.327 -42.224 1.00 0.00 O ATOM 0 H GLU A 72 -7.608 -22.800 -38.674 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.072 -22.072 -39.929 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.390 -22.132 -42.002 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.543 -23.619 -41.087 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.771 -22.851 -40.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.617 -21.384 -41.182 1.00 0.00 H new ATOM 753 N ALA A 73 -7.589 -19.942 -39.468 1.00 0.00 N ATOM 754 CA ALA A 73 -7.986 -18.521 -39.419 1.00 0.00 C ATOM 755 C ALA A 73 -7.139 -17.755 -38.393 1.00 0.00 C ATOM 756 O ALA A 73 -6.600 -16.685 -38.683 1.00 0.00 O ATOM 757 CB ALA A 73 -9.480 -18.390 -39.063 1.00 0.00 C ATOM 0 H ALA A 73 -8.322 -20.583 -39.163 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.817 -18.090 -40.406 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.755 -17.336 -39.031 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.080 -18.899 -39.817 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.663 -18.842 -38.088 1.00 0.00 H new ATOM 763 N ILE A 74 -7.038 -18.334 -37.184 1.00 0.00 N ATOM 764 CA ILE A 74 -6.292 -17.747 -36.064 1.00 0.00 C ATOM 765 C ILE A 74 -5.052 -18.615 -35.766 1.00 0.00 C ATOM 766 O ILE A 74 -5.181 -19.693 -35.157 1.00 0.00 O ATOM 767 CB ILE A 74 -7.193 -17.629 -34.777 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.578 -16.994 -35.135 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.466 -16.822 -33.666 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.544 -16.890 -33.972 1.00 0.00 C ATOM 0 H ILE A 74 -7.475 -19.227 -36.958 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.979 -16.741 -36.344 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.375 -18.631 -34.388 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.411 -15.997 -35.542 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.042 -17.587 -35.924 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.107 -16.754 -32.787 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.537 -17.326 -33.399 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.243 -15.820 -34.031 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.476 -16.439 -34.312 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.746 -17.885 -33.577 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.106 -16.271 -33.189 1.00 0.00 H new ATOM 782 N PRO A 75 -3.834 -18.178 -36.217 1.00 0.00 N ATOM 783 CA PRO A 75 -2.571 -18.916 -35.988 1.00 0.00 C ATOM 784 C PRO A 75 -2.049 -18.736 -34.545 1.00 0.00 C ATOM 785 O PRO A 75 -1.035 -18.071 -34.290 1.00 0.00 O ATOM 786 CB PRO A 75 -1.633 -18.293 -37.038 1.00 0.00 C ATOM 787 CG PRO A 75 -2.096 -16.878 -37.178 1.00 0.00 C ATOM 788 CD PRO A 75 -3.597 -16.923 -36.996 1.00 0.00 C ATOM 0 HA PRO A 75 -2.671 -19.997 -36.091 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.593 -18.338 -36.715 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.695 -18.825 -37.988 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.629 -16.237 -36.430 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.831 -16.473 -38.155 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.960 -16.046 -36.459 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.114 -16.946 -37.955 1.00 0.00 H new ATOM 796 N GLY A 76 -2.779 -19.346 -33.615 1.00 0.00 N ATOM 797 CA GLY A 76 -2.530 -19.208 -32.181 1.00 0.00 C ATOM 798 C GLY A 76 -3.826 -19.173 -31.392 1.00 0.00 C ATOM 799 O GLY A 76 -3.917 -18.493 -30.361 1.00 0.00 O ATOM 0 H GLY A 76 -3.567 -19.955 -33.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.915 -20.039 -31.836 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.965 -18.295 -31.995 1.00 0.00 H new ATOM 803 N VAL A 77 -4.848 -19.910 -31.886 1.00 0.00 N ATOM 804 CA VAL A 77 -6.151 -19.996 -31.222 1.00 0.00 C ATOM 805 C VAL A 77 -6.037 -20.912 -29.996 1.00 0.00 C ATOM 806 O VAL A 77 -5.318 -21.919 -30.023 1.00 0.00 O ATOM 807 CB VAL A 77 -7.296 -20.508 -32.180 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.069 -21.971 -32.636 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.688 -20.333 -31.526 1.00 0.00 C ATOM 0 H VAL A 77 -4.785 -20.453 -32.747 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.430 -18.987 -30.916 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.263 -19.890 -33.077 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.883 -22.278 -33.293 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.123 -22.042 -33.172 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.042 -22.624 -31.764 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.458 -20.694 -32.208 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.728 -20.904 -30.598 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.859 -19.278 -31.311 1.00 0.00 H new ATOM 819 N ARG A 78 -6.723 -20.523 -28.918 1.00 0.00 N ATOM 820 CA ARG A 78 -6.735 -21.263 -27.640 1.00 0.00 C ATOM 821 C ARG A 78 -8.188 -21.529 -27.206 1.00 0.00 C ATOM 822 O ARG A 78 -8.444 -22.252 -26.250 1.00 0.00 O ATOM 823 CB ARG A 78 -5.927 -20.507 -26.515 1.00 0.00 C ATOM 824 CG ARG A 78 -5.035 -19.323 -26.992 1.00 0.00 C ATOM 825 CD ARG A 78 -5.836 -18.024 -27.239 1.00 0.00 C ATOM 826 NE ARG A 78 -6.323 -17.444 -25.973 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.071 -16.207 -25.533 1.00 0.00 C ATOM 828 NH1 ARG A 78 -5.449 -15.321 -26.300 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.461 -15.861 -24.323 1.00 0.00 N ATOM 0 H ARG A 78 -7.294 -19.678 -28.901 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.234 -22.219 -27.793 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.636 -20.128 -25.779 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.292 -21.230 -26.003 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.265 -19.132 -26.245 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.523 -19.608 -27.911 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.207 -17.299 -27.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.682 -18.235 -27.894 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.903 -18.039 -25.381 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.155 -15.579 -27.242 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.265 -14.382 -25.948 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.950 -16.534 -23.733 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.274 -14.920 -23.977 1.00 0.00 H new ATOM 843 N LEU A 79 -9.136 -20.964 -27.958 1.00 0.00 N ATOM 844 CA LEU A 79 -10.557 -20.910 -27.595 1.00 0.00 C ATOM 845 C LEU A 79 -11.393 -21.621 -28.663 1.00 0.00 C ATOM 846 O LEU A 79 -11.243 -21.332 -29.853 1.00 0.00 O ATOM 847 CB LEU A 79 -10.970 -19.423 -27.494 1.00 0.00 C ATOM 848 CG LEU A 79 -10.093 -18.548 -26.552 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.366 -17.048 -26.759 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.296 -18.954 -25.091 1.00 0.00 C ATOM 0 H LEU A 79 -8.934 -20.522 -28.855 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.725 -21.409 -26.641 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.945 -18.988 -28.493 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.003 -19.373 -27.150 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.049 -18.724 -26.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.736 -16.467 -26.085 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.141 -16.776 -27.790 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.414 -16.837 -26.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.674 -18.330 -24.450 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.343 -18.823 -24.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.016 -19.999 -24.962 1.00 0.00 H new ATOM 862 N CYS A 80 -12.253 -22.572 -28.240 1.00 0.00 N ATOM 863 CA CYS A 80 -13.204 -23.253 -29.153 1.00 0.00 C ATOM 864 C CYS A 80 -14.210 -22.219 -29.644 1.00 0.00 C ATOM 865 O CYS A 80 -14.396 -21.221 -28.956 1.00 0.00 O ATOM 866 CB CYS A 80 -13.908 -24.429 -28.435 1.00 0.00 C ATOM 867 SG CYS A 80 -15.156 -23.925 -27.216 1.00 0.00 S ATOM 0 H CYS A 80 -12.310 -22.888 -27.272 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.671 -23.677 -30.004 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.384 -25.063 -29.183 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.154 -25.037 -27.935 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.911 -24.506 -26.079 1.00 0.00 H new ATOM 872 N ILE A 81 -14.887 -22.481 -30.780 1.00 0.00 N ATOM 873 CA ILE A 81 -15.681 -21.460 -31.523 1.00 0.00 C ATOM 874 C ILE A 81 -16.678 -20.690 -30.609 1.00 0.00 C ATOM 875 O ILE A 81 -16.941 -19.506 -30.821 1.00 0.00 O ATOM 876 CB ILE A 81 -16.431 -22.122 -32.755 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.301 -21.073 -33.544 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.269 -23.353 -32.321 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.047 -21.622 -34.753 1.00 0.00 C ATOM 0 H ILE A 81 -14.904 -23.404 -31.215 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.974 -20.721 -31.899 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.664 -22.480 -33.442 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.027 -20.638 -32.857 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.651 -20.263 -33.876 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.768 -23.779 -33.192 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.613 -24.101 -31.876 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.016 -23.045 -31.590 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.615 -20.820 -35.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.332 -22.029 -35.468 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.729 -22.410 -34.433 1.00 0.00 H new ATOM 891 N HIS A 82 -17.127 -21.362 -29.539 1.00 0.00 N ATOM 892 CA HIS A 82 -18.101 -20.824 -28.563 1.00 0.00 C ATOM 893 C HIS A 82 -17.421 -19.832 -27.591 1.00 0.00 C ATOM 894 O HIS A 82 -17.917 -18.724 -27.374 1.00 0.00 O ATOM 895 CB HIS A 82 -18.753 -22.000 -27.791 1.00 0.00 C ATOM 896 CG HIS A 82 -19.305 -23.057 -28.704 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.583 -23.026 -29.207 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.723 -24.154 -29.237 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.759 -24.049 -30.012 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.647 -24.748 -30.047 1.00 0.00 N ATOM 0 H HIS A 82 -16.822 -22.310 -29.319 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.876 -20.274 -29.097 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.013 -22.449 -27.128 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.555 -21.615 -27.161 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.715 -24.497 -29.056 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.665 -24.277 -30.554 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.498 -25.597 -30.592 1.00 0.00 H new ATOM 909 N CYS A 83 -16.253 -20.233 -27.035 1.00 0.00 N ATOM 910 CA CYS A 83 -15.465 -19.381 -26.115 1.00 0.00 C ATOM 911 C CYS A 83 -14.684 -18.307 -26.900 1.00 0.00 C ATOM 912 O CYS A 83 -14.229 -17.332 -26.319 1.00 0.00 O ATOM 913 CB CYS A 83 -14.459 -20.219 -25.290 1.00 0.00 C ATOM 914 SG CYS A 83 -15.173 -21.556 -24.292 1.00 0.00 S ATOM 0 H CYS A 83 -15.835 -21.147 -27.210 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.173 -18.904 -25.438 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.729 -20.652 -25.974 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.914 -19.547 -24.626 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.324 -22.615 -25.030 1.00 0.00 H new ATOM 919 N GLN A 84 -14.503 -18.513 -28.223 1.00 0.00 N ATOM 920 CA GLN A 84 -13.711 -17.603 -29.068 1.00 0.00 C ATOM 921 C GLN A 84 -14.568 -16.393 -29.452 1.00 0.00 C ATOM 922 O GLN A 84 -14.140 -15.265 -29.258 1.00 0.00 O ATOM 923 CB GLN A 84 -13.169 -18.339 -30.348 1.00 0.00 C ATOM 924 CG GLN A 84 -11.826 -17.808 -30.935 1.00 0.00 C ATOM 925 CD GLN A 84 -11.777 -16.290 -31.147 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.191 -15.783 -32.187 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.254 -15.563 -30.161 1.00 0.00 N ATOM 0 H GLN A 84 -14.898 -19.307 -28.727 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.844 -17.262 -28.502 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.043 -19.395 -30.108 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.930 -18.277 -31.126 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.014 -18.095 -30.266 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.642 -18.301 -31.890 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.921 -16.020 -29.312 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.187 -14.550 -30.255 1.00 0.00 H new