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 157:sc= 0.964 USER MOD Set 1.2: A 62 CYS SG : rot -54:sc= -0.481 USER MOD Set 1.3: A 80 CYS SG : rot 150:sc= -0.999 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0207 X(o=-0.28,f=-0.26) USER MOD Set 1.5: A 83 CYS SG : rot 80:sc= 0.255 USER MOD Single : A 38 THR OG1 : rot 24:sc= 0.156 USER MOD Single : A 55 SER OG : rot -33:sc= 0.21 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.145 F(o=-1.1,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -0.0697 K(o=-0.07,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 9.101 -18.714 -41.062 1.00 0.00 N ATOM 235 CA THR A 38 9.937 -17.633 -40.458 1.00 0.00 C ATOM 236 C THR A 38 9.143 -16.309 -40.269 1.00 0.00 C ATOM 237 O THR A 38 9.503 -15.457 -39.435 1.00 0.00 O ATOM 238 CB THR A 38 11.226 -17.400 -41.321 1.00 0.00 C ATOM 239 OG1 THR A 38 11.914 -18.657 -41.485 1.00 0.00 O ATOM 240 CG2 THR A 38 12.207 -16.381 -40.701 1.00 0.00 C ATOM 0 HA THR A 38 10.234 -17.963 -39.463 1.00 0.00 H new ATOM 0 HB THR A 38 10.895 -16.990 -42.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.279 -19.395 -41.373 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.075 -16.270 -41.351 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.710 -15.417 -40.591 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.530 -16.736 -39.722 1.00 0.00 H new ATOM 248 N ILE A 39 8.030 -16.181 -41.014 1.00 0.00 N ATOM 249 CA ILE A 39 7.138 -15.005 -40.955 1.00 0.00 C ATOM 250 C ILE A 39 6.481 -14.868 -39.560 1.00 0.00 C ATOM 251 O ILE A 39 6.192 -13.752 -39.119 1.00 0.00 O ATOM 252 CB ILE A 39 6.040 -15.072 -42.088 1.00 0.00 C ATOM 253 CG1 ILE A 39 6.706 -15.263 -43.491 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.116 -13.819 -42.084 1.00 0.00 C ATOM 255 CD1 ILE A 39 7.742 -14.214 -43.870 1.00 0.00 C ATOM 0 H ILE A 39 7.721 -16.892 -41.677 1.00 0.00 H new ATOM 0 HA ILE A 39 7.748 -14.118 -41.125 1.00 0.00 H new ATOM 0 HB ILE A 39 5.411 -15.937 -41.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.180 -16.244 -43.519 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.923 -15.266 -44.249 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.377 -13.909 -42.880 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.607 -13.745 -41.123 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.716 -12.924 -42.246 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.142 -14.438 -44.859 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.275 -13.229 -43.882 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.552 -14.223 -43.141 1.00 0.00 H new ATOM 267 N GLU A 40 6.303 -16.013 -38.845 1.00 0.00 N ATOM 268 CA GLU A 40 5.694 -16.014 -37.499 1.00 0.00 C ATOM 269 C GLU A 40 6.550 -15.173 -36.526 1.00 0.00 C ATOM 270 O GLU A 40 6.016 -14.454 -35.687 1.00 0.00 O ATOM 271 CB GLU A 40 5.496 -17.461 -36.953 1.00 0.00 C ATOM 272 CG GLU A 40 6.776 -18.179 -36.457 1.00 0.00 C ATOM 273 CD GLU A 40 6.494 -19.533 -35.796 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.405 -20.558 -36.514 1.00 0.00 O ATOM 275 OE2 GLU A 40 6.360 -19.577 -34.550 1.00 0.00 O ATOM 0 H GLU A 40 6.573 -16.937 -39.182 1.00 0.00 H new ATOM 0 HA GLU A 40 4.705 -15.563 -37.580 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.782 -17.423 -36.130 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.045 -18.066 -37.739 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.451 -18.328 -37.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.293 -17.535 -35.745 1.00 0.00 H new ATOM 282 N ASP A 41 7.885 -15.253 -36.702 1.00 0.00 N ATOM 283 CA ASP A 41 8.862 -14.501 -35.899 1.00 0.00 C ATOM 284 C ASP A 41 8.836 -13.018 -36.272 1.00 0.00 C ATOM 285 O ASP A 41 8.919 -12.157 -35.397 1.00 0.00 O ATOM 286 CB ASP A 41 10.290 -15.071 -36.096 1.00 0.00 C ATOM 287 CG ASP A 41 11.357 -14.346 -35.246 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.440 -14.620 -34.029 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.109 -13.490 -35.777 1.00 0.00 O ATOM 0 H ASP A 41 8.315 -15.847 -37.411 1.00 0.00 H new ATOM 0 HA ASP A 41 8.587 -14.605 -34.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.290 -16.131 -35.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.562 -14.997 -37.149 1.00 0.00 H new ATOM 294 N ALA A 42 8.717 -12.746 -37.584 1.00 0.00 N ATOM 295 CA ALA A 42 8.674 -11.377 -38.134 1.00 0.00 C ATOM 296 C ALA A 42 7.477 -10.582 -37.580 1.00 0.00 C ATOM 297 O ALA A 42 7.584 -9.387 -37.292 1.00 0.00 O ATOM 298 CB ALA A 42 8.646 -11.430 -39.667 1.00 0.00 C ATOM 0 H ALA A 42 8.648 -13.472 -38.297 1.00 0.00 H new ATOM 0 HA ALA A 42 9.576 -10.852 -37.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.614 -10.416 -40.066 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.541 -11.935 -40.030 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.762 -11.977 -39.996 1.00 0.00 H new ATOM 304 N ILE A 43 6.344 -11.282 -37.413 1.00 0.00 N ATOM 305 CA ILE A 43 5.107 -10.707 -36.864 1.00 0.00 C ATOM 306 C ILE A 43 5.153 -10.675 -35.313 1.00 0.00 C ATOM 307 O ILE A 43 4.639 -9.736 -34.686 1.00 0.00 O ATOM 308 CB ILE A 43 3.854 -11.519 -37.374 1.00 0.00 C ATOM 309 CG1 ILE A 43 3.804 -11.550 -38.941 1.00 0.00 C ATOM 310 CG2 ILE A 43 2.533 -10.957 -36.796 1.00 0.00 C ATOM 311 CD1 ILE A 43 3.663 -10.189 -39.620 1.00 0.00 C ATOM 0 H ILE A 43 6.260 -12.269 -37.657 1.00 0.00 H new ATOM 0 HA ILE A 43 5.018 -9.679 -37.216 1.00 0.00 H new ATOM 0 HB ILE A 43 3.963 -12.542 -37.013 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.713 -12.027 -39.307 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.968 -12.179 -39.248 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.694 -11.543 -37.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.559 -11.014 -35.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.415 -9.917 -37.102 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.638 -10.323 -40.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.739 -9.713 -39.292 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.511 -9.559 -39.352 1.00 0.00 H new ATOM 323 N ALA A 44 5.789 -11.697 -34.704 1.00 0.00 N ATOM 324 CA ALA A 44 5.931 -11.806 -33.232 1.00 0.00 C ATOM 325 C ALA A 44 6.807 -10.666 -32.674 1.00 0.00 C ATOM 326 O ALA A 44 6.527 -10.126 -31.609 1.00 0.00 O ATOM 327 CB ALA A 44 6.516 -13.175 -32.843 1.00 0.00 C ATOM 0 H ALA A 44 6.218 -12.469 -35.214 1.00 0.00 H new ATOM 0 HA ALA A 44 4.938 -11.716 -32.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.612 -13.235 -31.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.853 -13.967 -33.193 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.498 -13.295 -33.302 1.00 0.00 H new ATOM 333 N ARG A 45 7.863 -10.293 -33.414 1.00 0.00 N ATOM 334 CA ARG A 45 8.781 -9.209 -33.002 1.00 0.00 C ATOM 335 C ARG A 45 8.183 -7.831 -33.330 1.00 0.00 C ATOM 336 O ARG A 45 8.520 -6.836 -32.678 1.00 0.00 O ATOM 337 CB ARG A 45 10.185 -9.393 -33.640 1.00 0.00 C ATOM 338 CG ARG A 45 10.257 -9.186 -35.172 1.00 0.00 C ATOM 339 CD ARG A 45 11.646 -9.527 -35.746 1.00 0.00 C ATOM 340 NE ARG A 45 11.732 -9.265 -37.196 1.00 0.00 N ATOM 341 CZ ARG A 45 12.066 -10.165 -38.139 1.00 0.00 C ATOM 342 NH1 ARG A 45 12.219 -11.446 -37.834 1.00 0.00 N ATOM 343 NH2 ARG A 45 12.192 -9.773 -39.397 1.00 0.00 N ATOM 0 H ARG A 45 8.106 -10.726 -34.305 1.00 0.00 H new ATOM 0 HA ARG A 45 8.908 -9.263 -31.921 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.874 -8.695 -33.165 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.540 -10.398 -33.410 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.504 -9.808 -35.656 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.014 -8.150 -35.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.405 -8.941 -35.227 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.868 -10.577 -35.555 1.00 0.00 H new ATOM 0 HE ARG A 45 11.520 -8.318 -37.511 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.083 -11.761 -36.873 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.472 -12.116 -38.560 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.036 -8.796 -39.645 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.445 -10.448 -40.119 1.00 0.00 H new ATOM 357 N ALA A 46 7.275 -7.799 -34.328 1.00 0.00 N ATOM 358 CA ALA A 46 6.604 -6.566 -34.775 1.00 0.00 C ATOM 359 C ALA A 46 5.516 -6.116 -33.783 1.00 0.00 C ATOM 360 O ALA A 46 5.432 -4.931 -33.444 1.00 0.00 O ATOM 361 CB ALA A 46 5.987 -6.777 -36.168 1.00 0.00 C ATOM 0 H ALA A 46 6.988 -8.630 -34.845 1.00 0.00 H new ATOM 0 HA ALA A 46 7.357 -5.779 -34.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.493 -5.860 -36.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.772 -7.035 -36.879 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.258 -7.586 -36.124 1.00 0.00 H new ATOM 367 N ARG A 47 4.696 -7.073 -33.307 1.00 0.00 N ATOM 368 CA ARG A 47 3.473 -6.757 -32.529 1.00 0.00 C ATOM 369 C ARG A 47 3.122 -7.825 -31.470 1.00 0.00 C ATOM 370 O ARG A 47 2.132 -7.656 -30.753 1.00 0.00 O ATOM 371 CB ARG A 47 2.277 -6.556 -33.494 1.00 0.00 C ATOM 372 CG ARG A 47 2.011 -7.737 -34.456 1.00 0.00 C ATOM 373 CD ARG A 47 0.573 -7.751 -35.005 1.00 0.00 C ATOM 374 NE ARG A 47 0.173 -6.490 -35.639 1.00 0.00 N ATOM 375 CZ ARG A 47 -0.958 -6.312 -36.333 1.00 0.00 C ATOM 376 NH1 ARG A 47 -1.791 -7.318 -36.572 1.00 0.00 N ATOM 377 NH2 ARG A 47 -1.232 -5.120 -36.808 1.00 0.00 N ATOM 0 H ARG A 47 4.854 -8.071 -33.445 1.00 0.00 H new ATOM 0 HA ARG A 47 3.680 -5.838 -31.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.378 -6.378 -32.903 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.453 -5.657 -34.085 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.712 -7.685 -35.289 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.204 -8.674 -33.934 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.478 -8.559 -35.731 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.116 -7.972 -34.190 1.00 0.00 H new ATOM 0 HE ARG A 47 0.801 -5.692 -35.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.575 -8.252 -36.224 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.647 -7.156 -37.103 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.588 -4.346 -36.646 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.089 -4.967 -37.339 1.00 0.00 H new ATOM 391 N GLY A 48 3.926 -8.896 -31.361 1.00 0.00 N ATOM 392 CA GLY A 48 3.666 -9.969 -30.378 1.00 0.00 C ATOM 393 C GLY A 48 2.346 -10.701 -30.623 1.00 0.00 C ATOM 394 O GLY A 48 1.669 -11.103 -29.671 1.00 0.00 O ATOM 0 H GLY A 48 4.756 -9.044 -31.935 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.484 -10.688 -30.409 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.656 -9.541 -29.376 1.00 0.00 H new ATOM 398 N GLU A 49 1.989 -10.843 -31.913 1.00 0.00 N ATOM 399 CA GLU A 49 0.721 -11.469 -32.348 1.00 0.00 C ATOM 400 C GLU A 49 0.722 -12.973 -32.077 1.00 0.00 C ATOM 401 O GLU A 49 -0.275 -13.526 -31.584 1.00 0.00 O ATOM 402 CB GLU A 49 0.502 -11.206 -33.850 1.00 0.00 C ATOM 403 CG GLU A 49 -0.815 -11.756 -34.431 1.00 0.00 C ATOM 404 CD GLU A 49 -0.999 -11.438 -35.925 1.00 0.00 C ATOM 405 OE1 GLU A 49 -1.345 -10.281 -36.256 1.00 0.00 O ATOM 406 OE2 GLU A 49 -0.823 -12.339 -36.774 1.00 0.00 O ATOM 0 H GLU A 49 2.572 -10.526 -32.688 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.093 -11.025 -31.775 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.534 -10.130 -34.022 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.334 -11.642 -34.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.843 -12.836 -34.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.653 -11.340 -33.872 1.00 0.00 H new ATOM 413 N ILE A 50 1.840 -13.627 -32.441 1.00 0.00 N ATOM 414 CA ILE A 50 2.047 -15.041 -32.153 1.00 0.00 C ATOM 415 C ILE A 50 2.232 -15.224 -30.628 1.00 0.00 C ATOM 416 O ILE A 50 3.149 -14.635 -30.033 1.00 0.00 O ATOM 417 CB ILE A 50 3.265 -15.650 -32.941 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.001 -15.584 -34.483 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.562 -17.113 -32.483 1.00 0.00 C ATOM 420 CD1 ILE A 50 1.754 -16.335 -34.959 1.00 0.00 C ATOM 0 H ILE A 50 2.614 -13.187 -32.938 1.00 0.00 H new ATOM 0 HA ILE A 50 1.165 -15.586 -32.490 1.00 0.00 H new ATOM 0 HB ILE A 50 4.149 -15.053 -32.717 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.911 -14.538 -34.777 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.870 -15.987 -35.003 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.409 -17.506 -33.046 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.799 -17.120 -31.419 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.686 -17.736 -32.664 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.657 -16.231 -36.040 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.845 -17.391 -34.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.871 -15.919 -34.473 1.00 0.00 H new ATOM 492 N SER A 55 -1.764 -22.807 -32.785 1.00 0.00 N ATOM 493 CA SER A 55 -3.196 -23.076 -32.705 1.00 0.00 C ATOM 494 C SER A 55 -3.429 -24.539 -32.270 1.00 0.00 C ATOM 495 O SER A 55 -3.145 -25.469 -33.027 1.00 0.00 O ATOM 496 CB SER A 55 -3.830 -22.770 -34.080 1.00 0.00 C ATOM 497 OG SER A 55 -3.114 -23.397 -35.136 1.00 0.00 O ATOM 0 HA SER A 55 -3.669 -22.439 -31.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.865 -23.111 -34.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.848 -21.692 -34.241 1.00 0.00 H new ATOM 0 HG SER A 55 -2.162 -23.437 -34.907 1.00 0.00 H new ATOM 503 N LEU A 56 -3.903 -24.717 -31.028 1.00 0.00 N ATOM 504 CA LEU A 56 -4.115 -26.049 -30.405 1.00 0.00 C ATOM 505 C LEU A 56 -5.418 -26.719 -30.906 1.00 0.00 C ATOM 506 O LEU A 56 -6.188 -26.106 -31.650 1.00 0.00 O ATOM 507 CB LEU A 56 -4.074 -25.920 -28.836 1.00 0.00 C ATOM 508 CG LEU A 56 -4.781 -24.668 -28.199 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.285 -24.632 -28.468 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.509 -24.538 -26.688 1.00 0.00 C ATOM 0 H LEU A 56 -4.154 -23.940 -30.416 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.303 -26.708 -30.711 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.527 -26.816 -28.411 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.029 -25.913 -28.525 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.334 -23.808 -28.698 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.717 -23.745 -28.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.462 -24.601 -29.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.751 -25.524 -28.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.021 -23.657 -26.301 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.876 -25.426 -26.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.437 -24.438 -26.519 1.00 0.00 H new ATOM 522 N ASP A 57 -5.655 -27.977 -30.471 1.00 0.00 N ATOM 523 CA ASP A 57 -6.855 -28.778 -30.857 1.00 0.00 C ATOM 524 C ASP A 57 -7.816 -28.971 -29.657 1.00 0.00 C ATOM 525 O ASP A 57 -8.891 -29.572 -29.804 1.00 0.00 O ATOM 526 CB ASP A 57 -6.426 -30.156 -31.439 1.00 0.00 C ATOM 527 CG ASP A 57 -5.758 -31.079 -30.400 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.639 -30.772 -29.954 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.350 -32.116 -30.034 1.00 0.00 O ATOM 0 H ASP A 57 -5.023 -28.472 -29.842 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.392 -28.224 -31.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.303 -30.658 -31.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.736 -29.993 -32.267 1.00 0.00 H new ATOM 534 N GLU A 58 -7.466 -28.376 -28.500 1.00 0.00 N ATOM 535 CA GLU A 58 -8.194 -28.539 -27.216 1.00 0.00 C ATOM 536 C GLU A 58 -8.232 -27.186 -26.482 1.00 0.00 C ATOM 537 O GLU A 58 -7.192 -26.663 -26.080 1.00 0.00 O ATOM 538 CB GLU A 58 -7.527 -29.604 -26.302 1.00 0.00 C ATOM 539 CG GLU A 58 -7.616 -31.048 -26.820 1.00 0.00 C ATOM 540 CD GLU A 58 -6.778 -32.024 -25.986 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.555 -32.099 -26.205 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.336 -32.699 -25.089 1.00 0.00 O ATOM 0 H GLU A 58 -6.658 -27.758 -28.425 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.204 -28.881 -27.442 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.476 -29.344 -26.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.991 -29.558 -25.317 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.657 -31.370 -26.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.280 -31.080 -27.857 1.00 0.00 H new ATOM 549 N CYS A 59 -9.442 -26.618 -26.376 1.00 0.00 N ATOM 550 CA CYS A 59 -9.742 -25.390 -25.602 1.00 0.00 C ATOM 551 C CYS A 59 -9.176 -25.473 -24.182 1.00 0.00 C ATOM 552 O CYS A 59 -9.543 -26.369 -23.446 1.00 0.00 O ATOM 553 CB CYS A 59 -11.265 -25.253 -25.547 1.00 0.00 C ATOM 554 SG CYS A 59 -11.939 -23.820 -24.652 1.00 0.00 S ATOM 0 H CYS A 59 -10.266 -27.005 -26.836 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.281 -24.527 -26.082 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.638 -25.218 -26.571 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.669 -26.157 -25.091 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.135 -23.558 -25.090 1.00 0.00 H new ATOM 559 N GLU A 60 -8.309 -24.526 -23.782 1.00 0.00 N ATOM 560 CA GLU A 60 -7.596 -24.652 -22.480 1.00 0.00 C ATOM 561 C GLU A 60 -8.439 -24.092 -21.303 1.00 0.00 C ATOM 562 O GLU A 60 -7.934 -23.927 -20.187 1.00 0.00 O ATOM 563 CB GLU A 60 -6.191 -23.996 -22.556 1.00 0.00 C ATOM 564 CG GLU A 60 -6.194 -22.507 -22.921 1.00 0.00 C ATOM 565 CD GLU A 60 -4.796 -21.869 -22.859 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.034 -21.976 -23.840 1.00 0.00 O ATOM 567 OE2 GLU A 60 -4.446 -21.279 -21.823 1.00 0.00 O ATOM 0 H GLU A 60 -8.084 -23.687 -24.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.453 -25.714 -22.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.696 -24.118 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.594 -24.535 -23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.598 -22.386 -23.926 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.861 -21.974 -22.243 1.00 0.00 H new ATOM 574 N GLU A 61 -9.743 -23.831 -21.564 1.00 0.00 N ATOM 575 CA GLU A 61 -10.706 -23.380 -20.542 1.00 0.00 C ATOM 576 C GLU A 61 -11.725 -24.493 -20.216 1.00 0.00 C ATOM 577 O GLU A 61 -12.141 -24.637 -19.066 1.00 0.00 O ATOM 578 CB GLU A 61 -11.455 -22.126 -21.038 1.00 0.00 C ATOM 579 CG GLU A 61 -10.556 -21.001 -21.564 1.00 0.00 C ATOM 580 CD GLU A 61 -9.502 -20.509 -20.564 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.880 -19.932 -19.526 1.00 0.00 O ATOM 582 OE2 GLU A 61 -8.288 -20.679 -20.821 1.00 0.00 O ATOM 0 H GLU A 61 -10.153 -23.929 -22.493 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.150 -23.139 -19.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.143 -22.422 -21.830 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.060 -21.735 -20.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.050 -21.349 -22.465 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.183 -20.158 -21.856 1.00 0.00 H new ATOM 589 N CYS A 62 -12.128 -25.277 -21.251 1.00 0.00 N ATOM 590 CA CYS A 62 -13.197 -26.305 -21.092 1.00 0.00 C ATOM 591 C CYS A 62 -12.910 -27.593 -21.905 1.00 0.00 C ATOM 592 O CYS A 62 -13.807 -28.423 -22.080 1.00 0.00 O ATOM 593 CB CYS A 62 -14.583 -25.699 -21.467 1.00 0.00 C ATOM 594 SG CYS A 62 -14.991 -25.654 -23.250 1.00 0.00 S ATOM 0 H CYS A 62 -11.737 -25.221 -22.191 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.212 -26.602 -20.043 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.356 -26.270 -20.953 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -14.628 -24.681 -21.080 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.040 -25.050 -23.898 1.00 0.00 H new ATOM 599 N GLY A 63 -11.647 -27.756 -22.365 1.00 0.00 N ATOM 600 CA GLY A 63 -11.174 -28.943 -23.137 1.00 0.00 C ATOM 601 C GLY A 63 -11.982 -29.313 -24.377 1.00 0.00 C ATOM 602 O GLY A 63 -11.824 -30.415 -24.908 1.00 0.00 O ATOM 0 H GLY A 63 -10.915 -27.062 -22.212 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.143 -28.763 -23.442 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.163 -29.803 -22.468 1.00 0.00 H new ATOM 606 N ALA A 64 -12.808 -28.378 -24.863 1.00 0.00 N ATOM 607 CA ALA A 64 -13.726 -28.625 -25.992 1.00 0.00 C ATOM 608 C ALA A 64 -12.967 -28.587 -27.338 1.00 0.00 C ATOM 609 O ALA A 64 -12.025 -27.788 -27.476 1.00 0.00 O ATOM 610 CB ALA A 64 -14.867 -27.600 -25.976 1.00 0.00 C ATOM 0 H ALA A 64 -12.862 -27.431 -24.489 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.154 -29.621 -25.881 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.539 -27.790 -26.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.419 -27.685 -25.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.454 -26.595 -26.064 1.00 0.00 H new ATOM 616 N PRO A 65 -13.373 -29.444 -28.344 1.00 0.00 N ATOM 617 CA PRO A 65 -12.728 -29.511 -29.684 1.00 0.00 C ATOM 618 C PRO A 65 -12.580 -28.130 -30.352 1.00 0.00 C ATOM 619 O PRO A 65 -13.568 -27.409 -30.530 1.00 0.00 O ATOM 620 CB PRO A 65 -13.695 -30.405 -30.501 1.00 0.00 C ATOM 621 CG PRO A 65 -14.329 -31.296 -29.481 1.00 0.00 C ATOM 622 CD PRO A 65 -14.480 -30.444 -28.238 1.00 0.00 C ATOM 0 HA PRO A 65 -11.710 -29.897 -29.620 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.441 -29.808 -31.025 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.161 -30.982 -31.256 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.296 -31.662 -29.826 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.709 -32.171 -29.284 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.455 -29.957 -28.204 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.391 -31.042 -27.331 1.00 0.00 H new ATOM 630 N ILE A 66 -11.331 -27.747 -30.638 1.00 0.00 N ATOM 631 CA ILE A 66 -11.020 -26.560 -31.442 1.00 0.00 C ATOM 632 C ILE A 66 -11.247 -26.883 -32.938 1.00 0.00 C ATOM 633 O ILE A 66 -10.555 -27.753 -33.487 1.00 0.00 O ATOM 634 CB ILE A 66 -9.534 -26.101 -31.221 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.255 -25.875 -29.716 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.204 -24.830 -32.041 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.775 -24.594 -29.154 1.00 0.00 C ATOM 0 H ILE A 66 -10.505 -28.253 -30.318 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.677 -25.748 -31.131 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.882 -26.898 -31.578 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.691 -26.702 -29.155 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.178 -25.912 -29.554 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.168 -24.541 -31.864 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.347 -25.034 -33.102 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.864 -24.018 -31.735 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.527 -24.534 -28.094 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.321 -23.755 -29.681 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.858 -24.556 -29.276 1.00 0.00 H new ATOM 649 N PRO A 67 -12.236 -26.204 -33.619 1.00 0.00 N ATOM 650 CA PRO A 67 -12.453 -26.382 -35.070 1.00 0.00 C ATOM 651 C PRO A 67 -11.305 -25.732 -35.880 1.00 0.00 C ATOM 652 O PRO A 67 -10.721 -24.716 -35.441 1.00 0.00 O ATOM 653 CB PRO A 67 -13.812 -25.678 -35.312 1.00 0.00 C ATOM 654 CG PRO A 67 -13.874 -24.622 -34.257 1.00 0.00 C ATOM 655 CD PRO A 67 -13.199 -25.221 -33.040 1.00 0.00 C ATOM 0 HA PRO A 67 -12.465 -27.425 -35.387 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.864 -25.245 -36.311 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.643 -26.377 -35.224 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.365 -23.714 -34.581 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.906 -24.347 -34.037 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.688 -24.460 -32.450 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.919 -25.706 -32.381 1.00 0.00 H new ATOM 663 N GLN A 68 -11.002 -26.314 -37.055 1.00 0.00 N ATOM 664 CA GLN A 68 -9.899 -25.865 -37.927 1.00 0.00 C ATOM 665 C GLN A 68 -10.098 -24.414 -38.403 1.00 0.00 C ATOM 666 O GLN A 68 -9.124 -23.730 -38.720 1.00 0.00 O ATOM 667 CB GLN A 68 -9.731 -26.797 -39.157 1.00 0.00 C ATOM 668 CG GLN A 68 -10.943 -26.832 -40.140 1.00 0.00 C ATOM 669 CD GLN A 68 -10.543 -26.773 -41.623 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.532 -25.969 -41.953 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.192 -27.381 -42.480 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.517 -27.112 -37.428 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.992 -25.909 -37.324 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.845 -26.485 -39.710 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.544 -27.810 -38.801 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.515 -27.743 -39.964 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.603 -25.993 -39.918 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.961 -27.990 -42.201 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.959 -27.274 -43.467 1.00 0.00 H new ATOM 680 N ALA A 69 -11.377 -23.971 -38.421 1.00 0.00 N ATOM 681 CA ALA A 69 -11.781 -22.604 -38.795 1.00 0.00 C ATOM 682 C ALA A 69 -11.093 -21.563 -37.900 1.00 0.00 C ATOM 683 O ALA A 69 -10.572 -20.565 -38.386 1.00 0.00 O ATOM 684 CB ALA A 69 -13.312 -22.471 -38.701 1.00 0.00 C ATOM 0 H ALA A 69 -12.166 -24.567 -38.171 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.469 -22.417 -39.823 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.607 -21.459 -38.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.781 -23.184 -39.378 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.633 -22.676 -37.680 1.00 0.00 H new ATOM 690 N ARG A 70 -11.078 -21.842 -36.589 1.00 0.00 N ATOM 691 CA ARG A 70 -10.439 -20.980 -35.578 1.00 0.00 C ATOM 692 C ARG A 70 -8.905 -21.083 -35.636 1.00 0.00 C ATOM 693 O ARG A 70 -8.214 -20.110 -35.355 1.00 0.00 O ATOM 694 CB ARG A 70 -10.986 -21.319 -34.163 1.00 0.00 C ATOM 695 CG ARG A 70 -12.517 -21.107 -33.981 1.00 0.00 C ATOM 696 CD ARG A 70 -12.952 -19.613 -33.991 1.00 0.00 C ATOM 697 NE ARG A 70 -12.812 -18.963 -35.314 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.899 -17.642 -35.547 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.159 -16.780 -34.580 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.701 -17.186 -36.760 1.00 0.00 N ATOM 0 H ARG A 70 -11.511 -22.677 -36.195 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.691 -19.943 -35.801 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.749 -22.359 -33.938 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.460 -20.707 -33.430 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.044 -21.634 -34.776 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.827 -21.559 -33.039 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.991 -19.544 -33.670 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.356 -19.065 -33.261 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.635 -19.568 -36.116 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.300 -17.111 -33.626 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.219 -15.783 -34.788 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.483 -17.832 -37.518 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.765 -16.185 -36.945 1.00 0.00 H new ATOM 714 N ARG A 71 -8.392 -22.276 -36.006 1.00 0.00 N ATOM 715 CA ARG A 71 -6.935 -22.546 -36.068 1.00 0.00 C ATOM 716 C ARG A 71 -6.259 -21.807 -37.247 1.00 0.00 C ATOM 717 O ARG A 71 -5.101 -21.383 -37.142 1.00 0.00 O ATOM 718 CB ARG A 71 -6.667 -24.076 -36.153 1.00 0.00 C ATOM 719 CG ARG A 71 -7.318 -24.894 -35.019 1.00 0.00 C ATOM 720 CD ARG A 71 -6.976 -26.396 -35.048 1.00 0.00 C ATOM 721 NE ARG A 71 -5.589 -26.676 -34.612 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.083 -27.906 -34.405 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.800 -28.990 -34.660 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.852 -28.039 -33.939 1.00 0.00 N ATOM 0 H ARG A 71 -8.969 -23.075 -36.269 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.492 -22.162 -35.149 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.035 -24.446 -37.110 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.591 -24.247 -36.138 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.004 -24.480 -34.061 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.400 -24.778 -35.077 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.671 -26.935 -34.404 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.118 -26.777 -36.059 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.972 -25.879 -34.457 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.751 -28.900 -35.019 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.402 -29.915 -34.498 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.291 -27.211 -33.738 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.464 -28.969 -33.781 1.00 0.00 H new ATOM 738 N GLU A 72 -6.998 -21.652 -38.365 1.00 0.00 N ATOM 739 CA GLU A 72 -6.485 -20.977 -39.581 1.00 0.00 C ATOM 740 C GLU A 72 -6.727 -19.461 -39.490 1.00 0.00 C ATOM 741 O GLU A 72 -5.860 -18.657 -39.854 1.00 0.00 O ATOM 742 CB GLU A 72 -7.128 -21.575 -40.866 1.00 0.00 C ATOM 743 CG GLU A 72 -8.665 -21.451 -40.956 1.00 0.00 C ATOM 744 CD GLU A 72 -9.243 -22.008 -42.257 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.572 -23.205 -42.309 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.352 -21.253 -43.246 1.00 0.00 O ATOM 0 H GLU A 72 -7.958 -21.986 -38.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.410 -21.148 -39.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.689 -21.083 -41.734 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.861 -22.630 -40.928 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.115 -21.976 -40.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.944 -20.401 -40.863 1.00 0.00 H new ATOM 753 N ALA A 73 -7.922 -19.090 -38.976 1.00 0.00 N ATOM 754 CA ALA A 73 -8.312 -17.680 -38.782 1.00 0.00 C ATOM 755 C ALA A 73 -7.453 -17.013 -37.702 1.00 0.00 C ATOM 756 O ALA A 73 -7.201 -15.807 -37.760 1.00 0.00 O ATOM 757 CB ALA A 73 -9.803 -17.558 -38.425 1.00 0.00 C ATOM 0 H ALA A 73 -8.637 -19.757 -38.687 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.142 -17.163 -39.726 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.060 -16.507 -38.288 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.406 -17.977 -39.231 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.002 -18.103 -37.502 1.00 0.00 H new ATOM 763 N ILE A 74 -7.031 -17.803 -36.694 1.00 0.00 N ATOM 764 CA ILE A 74 -6.196 -17.320 -35.580 1.00 0.00 C ATOM 765 C ILE A 74 -5.013 -18.302 -35.372 1.00 0.00 C ATOM 766 O ILE A 74 -5.193 -19.355 -34.734 1.00 0.00 O ATOM 767 CB ILE A 74 -7.021 -17.164 -34.240 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.339 -16.352 -34.491 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.152 -16.509 -33.122 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.150 -16.034 -33.256 1.00 0.00 C ATOM 0 H ILE A 74 -7.261 -18.795 -36.631 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.822 -16.330 -35.839 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.304 -18.159 -33.895 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.080 -15.416 -34.986 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.966 -16.915 -35.182 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.743 -16.413 -32.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.281 -17.134 -32.925 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.824 -15.522 -33.447 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.039 -15.471 -33.540 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.448 -16.962 -32.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.548 -15.439 -32.569 1.00 0.00 H new ATOM 782 N PRO A 75 -3.801 -18.000 -35.955 1.00 0.00 N ATOM 783 CA PRO A 75 -2.568 -18.787 -35.712 1.00 0.00 C ATOM 784 C PRO A 75 -2.087 -18.612 -34.252 1.00 0.00 C ATOM 785 O PRO A 75 -1.263 -17.738 -33.935 1.00 0.00 O ATOM 786 CB PRO A 75 -1.566 -18.222 -36.756 1.00 0.00 C ATOM 787 CG PRO A 75 -2.045 -16.824 -37.012 1.00 0.00 C ATOM 788 CD PRO A 75 -3.554 -16.888 -36.911 1.00 0.00 C ATOM 0 HA PRO A 75 -2.701 -19.863 -35.827 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.546 -18.229 -36.372 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.567 -18.816 -37.670 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.632 -16.128 -36.282 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.732 -16.476 -37.996 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.970 -15.949 -36.547 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.011 -17.085 -37.880 1.00 0.00 H new ATOM 796 N GLY A 76 -2.680 -19.420 -33.367 1.00 0.00 N ATOM 797 CA GLY A 76 -2.442 -19.350 -31.929 1.00 0.00 C ATOM 798 C GLY A 76 -3.731 -19.194 -31.146 1.00 0.00 C ATOM 799 O GLY A 76 -3.779 -18.468 -30.143 1.00 0.00 O ATOM 0 H GLY A 76 -3.344 -20.146 -33.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.927 -20.253 -31.603 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.782 -18.510 -31.711 1.00 0.00 H new ATOM 803 N VAL A 77 -4.795 -19.872 -31.618 1.00 0.00 N ATOM 804 CA VAL A 77 -6.085 -19.919 -30.920 1.00 0.00 C ATOM 805 C VAL A 77 -5.956 -20.823 -29.677 1.00 0.00 C ATOM 806 O VAL A 77 -5.245 -21.832 -29.718 1.00 0.00 O ATOM 807 CB VAL A 77 -7.243 -20.421 -31.867 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.992 -21.858 -32.392 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.628 -20.320 -31.176 1.00 0.00 C ATOM 0 H VAL A 77 -4.780 -20.399 -32.491 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.350 -18.909 -30.607 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.247 -19.757 -32.731 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.816 -22.158 -33.039 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.060 -21.881 -32.957 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.923 -22.546 -31.550 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.401 -20.674 -31.858 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.630 -20.933 -30.275 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.827 -19.282 -30.910 1.00 0.00 H new ATOM 819 N ARG A 78 -6.619 -20.432 -28.577 1.00 0.00 N ATOM 820 CA ARG A 78 -6.579 -21.163 -27.289 1.00 0.00 C ATOM 821 C ARG A 78 -7.999 -21.373 -26.715 1.00 0.00 C ATOM 822 O ARG A 78 -8.172 -21.833 -25.579 1.00 0.00 O ATOM 823 CB ARG A 78 -5.588 -20.443 -26.304 1.00 0.00 C ATOM 824 CG ARG A 78 -5.519 -18.892 -26.404 1.00 0.00 C ATOM 825 CD ARG A 78 -6.756 -18.166 -25.840 1.00 0.00 C ATOM 826 NE ARG A 78 -6.665 -17.883 -24.391 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.161 -18.637 -23.390 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.697 -19.818 -23.617 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.089 -18.201 -22.150 1.00 0.00 N ATOM 0 H ARG A 78 -7.203 -19.596 -28.550 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.190 -22.169 -27.448 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.867 -20.708 -25.284 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.588 -20.841 -26.474 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.634 -18.544 -25.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.393 -18.612 -27.450 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.893 -17.228 -26.377 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.641 -18.773 -26.029 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.176 -17.029 -24.122 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.744 -20.182 -24.569 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.065 -20.369 -22.841 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.660 -17.297 -21.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.463 -18.767 -21.388 1.00 0.00 H new ATOM 843 N LEU A 79 -9.019 -21.094 -27.546 1.00 0.00 N ATOM 844 CA LEU A 79 -10.447 -21.130 -27.153 1.00 0.00 C ATOM 845 C LEU A 79 -11.276 -21.840 -28.229 1.00 0.00 C ATOM 846 O LEU A 79 -11.099 -21.570 -29.422 1.00 0.00 O ATOM 847 CB LEU A 79 -10.979 -19.686 -26.988 1.00 0.00 C ATOM 848 CG LEU A 79 -10.315 -18.846 -25.869 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.521 -17.340 -26.080 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.816 -19.287 -24.495 1.00 0.00 C ATOM 0 H LEU A 79 -8.878 -20.834 -28.522 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.534 -21.671 -26.211 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.850 -19.161 -27.935 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.050 -19.734 -26.793 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.241 -19.027 -25.917 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.039 -16.790 -25.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.083 -17.043 -27.033 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.588 -17.116 -26.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.338 -18.685 -23.723 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.897 -19.154 -24.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.572 -20.338 -24.339 1.00 0.00 H new ATOM 862 N CYS A 80 -12.171 -22.767 -27.812 1.00 0.00 N ATOM 863 CA CYS A 80 -13.121 -23.444 -28.746 1.00 0.00 C ATOM 864 C CYS A 80 -14.134 -22.420 -29.211 1.00 0.00 C ATOM 865 O CYS A 80 -14.382 -21.488 -28.460 1.00 0.00 O ATOM 866 CB CYS A 80 -13.825 -24.644 -28.071 1.00 0.00 C ATOM 867 SG CYS A 80 -15.060 -24.183 -26.810 1.00 0.00 S ATOM 0 H CYS A 80 -12.260 -23.066 -26.841 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.569 -23.843 -29.597 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.315 -25.241 -28.840 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.070 -25.278 -27.607 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.994 -25.086 -26.767 1.00 0.00 H new ATOM 872 N ILE A 81 -14.760 -22.622 -30.399 1.00 0.00 N ATOM 873 CA ILE A 81 -15.555 -21.569 -31.098 1.00 0.00 C ATOM 874 C ILE A 81 -16.622 -20.922 -30.177 1.00 0.00 C ATOM 875 O ILE A 81 -16.963 -19.771 -30.344 1.00 0.00 O ATOM 876 CB ILE A 81 -16.234 -22.126 -32.416 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.874 -20.971 -33.272 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.278 -23.225 -32.088 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.570 -21.420 -34.551 1.00 0.00 C ATOM 0 H ILE A 81 -14.731 -23.511 -30.899 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.845 -20.791 -31.377 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.448 -22.581 -33.019 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.596 -20.439 -32.652 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.092 -20.259 -33.534 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.727 -23.588 -33.013 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.787 -24.052 -31.574 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.055 -22.809 -31.446 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.977 -20.551 -35.068 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.852 -21.924 -35.198 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.379 -22.107 -34.303 1.00 0.00 H new ATOM 891 N HIS A 82 -17.073 -21.676 -29.168 1.00 0.00 N ATOM 892 CA HIS A 82 -18.086 -21.235 -28.185 1.00 0.00 C ATOM 893 C HIS A 82 -17.485 -20.208 -27.191 1.00 0.00 C ATOM 894 O HIS A 82 -18.059 -19.140 -26.979 1.00 0.00 O ATOM 895 CB HIS A 82 -18.662 -22.475 -27.454 1.00 0.00 C ATOM 896 CG HIS A 82 -19.110 -23.551 -28.411 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.322 -23.525 -29.062 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.459 -24.645 -28.882 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.394 -24.544 -29.895 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.279 -25.238 -29.802 1.00 0.00 N ATOM 0 H HIS A 82 -16.743 -22.627 -29.003 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.900 -20.729 -28.705 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.905 -22.882 -26.783 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.505 -22.169 -26.835 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.477 -24.984 -28.586 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.227 -24.771 -30.544 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.062 -26.082 -30.331 1.00 0.00 H new ATOM 909 N CYS A 83 -16.301 -20.528 -26.621 1.00 0.00 N ATOM 910 CA CYS A 83 -15.554 -19.589 -25.741 1.00 0.00 C ATOM 911 C CYS A 83 -14.830 -18.513 -26.582 1.00 0.00 C ATOM 912 O CYS A 83 -14.453 -17.471 -26.059 1.00 0.00 O ATOM 913 CB CYS A 83 -14.498 -20.339 -24.884 1.00 0.00 C ATOM 914 SG CYS A 83 -15.109 -21.759 -23.916 1.00 0.00 S ATOM 0 H CYS A 83 -15.839 -21.428 -26.752 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.283 -19.117 -25.082 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.706 -20.691 -25.546 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.045 -19.625 -24.196 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.224 -22.796 -24.692 1.00 0.00 H new ATOM 919 N GLN A 84 -14.615 -18.800 -27.882 1.00 0.00 N ATOM 920 CA GLN A 84 -13.802 -17.949 -28.768 1.00 0.00 C ATOM 921 C GLN A 84 -14.639 -16.797 -29.342 1.00 0.00 C ATOM 922 O GLN A 84 -14.189 -15.668 -29.315 1.00 0.00 O ATOM 923 CB GLN A 84 -13.167 -18.801 -29.920 1.00 0.00 C ATOM 924 CG GLN A 84 -11.790 -18.323 -30.452 1.00 0.00 C ATOM 925 CD GLN A 84 -11.783 -16.886 -30.972 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.079 -16.642 -32.127 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.403 -15.929 -30.135 1.00 0.00 N ATOM 0 H GLN A 84 -14.999 -19.625 -28.343 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.995 -17.516 -28.176 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.060 -19.827 -29.567 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.867 -18.823 -30.755 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.054 -18.412 -29.653 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.472 -18.989 -31.254 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.160 -16.161 -29.172 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.354 -14.962 -30.455 1.00 0.00 H new