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 158:sc= 0.715 USER MOD Set 1.2: A 62 CYS SG : rot -45:sc= -1.32 USER MOD Set 1.3: A 80 CYS SG : rot -127:sc= 0.0821 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0204 X(o=-0.41,f=-0.58) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= 0.136 USER MOD Single : A 38 THR OG1 : rot 31:sc= 0.218 USER MOD Single : A 55 SER OG : rot -24:sc= 0.174 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.061 F(o=-1.1,f=-0.061) USER MOD Single : A 84 GLN : amide:sc= -2.12! C(o=-2.1!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 8.609 -18.454 -19.394 1.00 0.00 N ATOM 235 CA THR A 38 9.988 -18.978 -19.398 1.00 0.00 C ATOM 236 C THR A 38 10.019 -20.482 -19.011 1.00 0.00 C ATOM 237 O THR A 38 10.875 -21.246 -19.474 1.00 0.00 O ATOM 238 CB THR A 38 10.886 -18.162 -18.420 1.00 0.00 C ATOM 239 OG1 THR A 38 10.703 -16.758 -18.656 1.00 0.00 O ATOM 240 CG2 THR A 38 12.375 -18.520 -18.581 1.00 0.00 C ATOM 0 HA THR A 38 10.378 -18.875 -20.411 1.00 0.00 H new ATOM 0 HB THR A 38 10.587 -18.414 -17.402 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.790 -16.596 -18.973 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.969 -17.930 -17.882 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.519 -19.581 -18.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.693 -18.303 -19.601 1.00 0.00 H new ATOM 248 N ILE A 39 9.046 -20.879 -18.175 1.00 0.00 N ATOM 249 CA ILE A 39 8.911 -22.256 -17.674 1.00 0.00 C ATOM 250 C ILE A 39 8.444 -23.195 -18.809 1.00 0.00 C ATOM 251 O ILE A 39 8.876 -24.357 -18.883 1.00 0.00 O ATOM 252 CB ILE A 39 7.912 -22.313 -16.452 1.00 0.00 C ATOM 253 CG1 ILE A 39 8.278 -21.223 -15.384 1.00 0.00 C ATOM 254 CG2 ILE A 39 7.856 -23.727 -15.816 1.00 0.00 C ATOM 255 CD1 ILE A 39 9.688 -21.300 -14.828 1.00 0.00 C ATOM 0 H ILE A 39 8.325 -20.248 -17.825 1.00 0.00 H new ATOM 0 HA ILE A 39 9.887 -22.594 -17.325 1.00 0.00 H new ATOM 0 HB ILE A 39 6.914 -22.096 -16.833 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.136 -20.239 -15.831 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.575 -21.301 -14.555 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.157 -23.722 -14.979 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.524 -24.449 -16.562 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.848 -24.005 -15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.836 -20.503 -14.100 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.836 -22.266 -14.344 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.406 -21.187 -15.640 1.00 0.00 H new ATOM 267 N GLU A 40 7.607 -22.666 -19.723 1.00 0.00 N ATOM 268 CA GLU A 40 7.072 -23.460 -20.854 1.00 0.00 C ATOM 269 C GLU A 40 8.129 -23.540 -21.979 1.00 0.00 C ATOM 270 O GLU A 40 8.149 -24.507 -22.743 1.00 0.00 O ATOM 271 CB GLU A 40 5.710 -22.888 -21.378 1.00 0.00 C ATOM 272 CG GLU A 40 5.807 -21.676 -22.330 1.00 0.00 C ATOM 273 CD GLU A 40 4.437 -21.151 -22.789 1.00 0.00 C ATOM 274 OE1 GLU A 40 3.744 -20.482 -21.986 1.00 0.00 O ATOM 275 OE2 GLU A 40 4.038 -21.414 -23.943 1.00 0.00 O ATOM 0 H GLU A 40 7.286 -21.698 -19.703 1.00 0.00 H new ATOM 0 HA GLU A 40 6.863 -24.469 -20.499 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.177 -23.687 -21.893 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.104 -22.602 -20.518 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.347 -20.872 -21.830 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.393 -21.957 -23.205 1.00 0.00 H new ATOM 282 N ASP A 41 9.006 -22.508 -22.054 1.00 0.00 N ATOM 283 CA ASP A 41 10.195 -22.502 -22.942 1.00 0.00 C ATOM 284 C ASP A 41 11.200 -23.571 -22.499 1.00 0.00 C ATOM 285 O ASP A 41 11.824 -24.237 -23.334 1.00 0.00 O ATOM 286 CB ASP A 41 10.897 -21.115 -22.945 1.00 0.00 C ATOM 287 CG ASP A 41 10.067 -20.012 -23.623 1.00 0.00 C ATOM 288 OD1 ASP A 41 9.765 -20.145 -24.821 1.00 0.00 O ATOM 289 OD2 ASP A 41 9.762 -18.987 -22.982 1.00 0.00 O ATOM 0 H ASP A 41 8.909 -21.657 -21.501 1.00 0.00 H new ATOM 0 HA ASP A 41 9.846 -22.719 -23.951 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.108 -20.821 -21.917 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.856 -21.203 -23.455 1.00 0.00 H new ATOM 294 N ALA A 42 11.337 -23.714 -21.162 1.00 0.00 N ATOM 295 CA ALA A 42 12.206 -24.726 -20.533 1.00 0.00 C ATOM 296 C ALA A 42 11.739 -26.149 -20.912 1.00 0.00 C ATOM 297 O ALA A 42 12.557 -27.018 -21.218 1.00 0.00 O ATOM 298 CB ALA A 42 12.237 -24.533 -18.998 1.00 0.00 C ATOM 0 H ALA A 42 10.845 -23.127 -20.489 1.00 0.00 H new ATOM 0 HA ALA A 42 13.222 -24.598 -20.906 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.883 -25.288 -18.549 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.622 -23.541 -18.764 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.228 -24.634 -18.598 1.00 0.00 H new ATOM 304 N ILE A 43 10.405 -26.356 -20.926 1.00 0.00 N ATOM 305 CA ILE A 43 9.781 -27.640 -21.324 1.00 0.00 C ATOM 306 C ILE A 43 9.896 -27.859 -22.854 1.00 0.00 C ATOM 307 O ILE A 43 10.098 -28.996 -23.325 1.00 0.00 O ATOM 308 CB ILE A 43 8.269 -27.709 -20.868 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.138 -27.570 -19.316 1.00 0.00 C ATOM 310 CG2 ILE A 43 7.573 -29.003 -21.364 1.00 0.00 C ATOM 311 CD1 ILE A 43 8.800 -28.680 -18.507 1.00 0.00 C ATOM 0 H ILE A 43 9.729 -25.639 -20.662 1.00 0.00 H new ATOM 0 HA ILE A 43 10.322 -28.440 -20.819 1.00 0.00 H new ATOM 0 HB ILE A 43 7.759 -26.864 -21.330 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.570 -26.616 -19.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.079 -27.536 -19.058 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.536 -29.010 -21.029 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.602 -29.037 -22.453 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.091 -29.873 -20.959 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.653 -28.492 -17.443 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.354 -29.639 -18.771 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.867 -28.704 -18.727 1.00 0.00 H new ATOM 323 N ALA A 44 9.788 -26.760 -23.616 1.00 0.00 N ATOM 324 CA ALA A 44 9.848 -26.783 -25.089 1.00 0.00 C ATOM 325 C ALA A 44 11.237 -27.219 -25.603 1.00 0.00 C ATOM 326 O ALA A 44 11.343 -27.822 -26.673 1.00 0.00 O ATOM 327 CB ALA A 44 9.467 -25.408 -25.652 1.00 0.00 C ATOM 0 H ALA A 44 9.656 -25.826 -23.228 1.00 0.00 H new ATOM 0 HA ALA A 44 9.130 -27.524 -25.441 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.514 -25.435 -26.741 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.454 -25.155 -25.339 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.162 -24.656 -25.277 1.00 0.00 H new ATOM 333 N ARG A 45 12.301 -26.884 -24.846 1.00 0.00 N ATOM 334 CA ARG A 45 13.675 -27.348 -25.154 1.00 0.00 C ATOM 335 C ARG A 45 14.023 -28.653 -24.400 1.00 0.00 C ATOM 336 O ARG A 45 14.988 -29.340 -24.763 1.00 0.00 O ATOM 337 CB ARG A 45 14.710 -26.235 -24.837 1.00 0.00 C ATOM 338 CG ARG A 45 14.829 -25.844 -23.346 1.00 0.00 C ATOM 339 CD ARG A 45 15.969 -24.843 -23.093 1.00 0.00 C ATOM 340 NE ARG A 45 17.282 -25.397 -23.493 1.00 0.00 N ATOM 341 CZ ARG A 45 18.437 -24.717 -23.531 1.00 0.00 C ATOM 342 NH1 ARG A 45 18.493 -23.437 -23.171 1.00 0.00 N ATOM 343 NH2 ARG A 45 19.539 -25.328 -23.942 1.00 0.00 N ATOM 0 H ARG A 45 12.238 -26.294 -24.016 1.00 0.00 H new ATOM 0 HA ARG A 45 13.717 -27.569 -26.221 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.689 -26.562 -25.188 1.00 0.00 H new ATOM 0 HB3 ARG A 45 14.447 -25.345 -25.409 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.887 -25.410 -23.010 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.997 -26.741 -22.750 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.777 -23.925 -23.648 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.993 -24.578 -22.036 1.00 0.00 H new ATOM 0 HE ARG A 45 17.311 -26.380 -23.763 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.648 -22.957 -22.860 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.381 -22.936 -23.206 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.504 -26.307 -24.226 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.422 -24.819 -23.974 1.00 0.00 H new ATOM 357 N ALA A 46 13.245 -28.980 -23.338 1.00 0.00 N ATOM 358 CA ALA A 46 13.477 -30.188 -22.514 1.00 0.00 C ATOM 359 C ALA A 46 13.147 -31.464 -23.305 1.00 0.00 C ATOM 360 O ALA A 46 13.986 -32.358 -23.435 1.00 0.00 O ATOM 361 CB ALA A 46 12.655 -30.146 -21.213 1.00 0.00 C ATOM 0 H ALA A 46 12.449 -28.420 -23.033 1.00 0.00 H new ATOM 0 HA ALA A 46 14.534 -30.203 -22.250 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.848 -31.047 -20.631 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.940 -29.270 -20.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.594 -30.091 -21.455 1.00 0.00 H new ATOM 367 N ARG A 47 11.913 -31.526 -23.840 1.00 0.00 N ATOM 368 CA ARG A 47 11.413 -32.717 -24.567 1.00 0.00 C ATOM 369 C ARG A 47 10.638 -32.329 -25.846 1.00 0.00 C ATOM 370 O ARG A 47 10.037 -33.201 -26.490 1.00 0.00 O ATOM 371 CB ARG A 47 10.512 -33.570 -23.626 1.00 0.00 C ATOM 372 CG ARG A 47 9.254 -32.837 -23.113 1.00 0.00 C ATOM 373 CD ARG A 47 8.273 -33.774 -22.379 1.00 0.00 C ATOM 374 NE ARG A 47 8.801 -34.270 -21.092 1.00 0.00 N ATOM 375 CZ ARG A 47 8.709 -35.533 -20.642 1.00 0.00 C ATOM 376 NH1 ARG A 47 8.275 -36.521 -21.430 1.00 0.00 N ATOM 377 NH2 ARG A 47 9.090 -35.806 -19.405 1.00 0.00 N ATOM 0 H ARG A 47 11.238 -30.763 -23.784 1.00 0.00 H new ATOM 0 HA ARG A 47 12.276 -33.306 -24.877 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.202 -34.470 -24.157 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.104 -33.893 -22.770 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.556 -32.035 -22.439 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.742 -32.370 -23.955 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.337 -33.244 -22.201 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.041 -34.623 -23.022 1.00 0.00 H new ATOM 0 HE ARG A 47 9.277 -33.596 -20.493 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.006 -36.324 -22.394 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.213 -37.472 -21.068 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.448 -35.062 -18.806 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.026 -36.760 -19.050 1.00 0.00 H new ATOM 391 N GLY A 48 10.664 -31.029 -26.209 1.00 0.00 N ATOM 392 CA GLY A 48 9.966 -30.530 -27.410 1.00 0.00 C ATOM 393 C GLY A 48 8.448 -30.653 -27.328 1.00 0.00 C ATOM 394 O GLY A 48 7.778 -30.872 -28.343 1.00 0.00 O ATOM 0 H GLY A 48 11.161 -30.307 -25.687 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.230 -29.484 -27.565 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.320 -31.081 -28.281 1.00 0.00 H new ATOM 398 N GLU A 49 7.918 -30.515 -26.103 1.00 0.00 N ATOM 399 CA GLU A 49 6.486 -30.709 -25.809 1.00 0.00 C ATOM 400 C GLU A 49 5.668 -29.468 -26.206 1.00 0.00 C ATOM 401 O GLU A 49 4.767 -29.545 -27.053 1.00 0.00 O ATOM 402 CB GLU A 49 6.301 -31.008 -24.304 1.00 0.00 C ATOM 403 CG GLU A 49 4.846 -31.273 -23.852 1.00 0.00 C ATOM 404 CD GLU A 49 4.729 -31.515 -22.335 1.00 0.00 C ATOM 405 OE1 GLU A 49 5.012 -32.642 -21.881 1.00 0.00 O ATOM 406 OE2 GLU A 49 4.373 -30.575 -21.593 1.00 0.00 O ATOM 0 H GLU A 49 8.471 -30.265 -25.284 1.00 0.00 H new ATOM 0 HA GLU A 49 6.123 -31.554 -26.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.907 -31.877 -24.047 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.693 -30.166 -23.733 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.223 -30.422 -24.129 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.457 -32.140 -24.385 1.00 0.00 H new ATOM 413 N ILE A 50 6.004 -28.327 -25.575 1.00 0.00 N ATOM 414 CA ILE A 50 5.280 -27.063 -25.753 1.00 0.00 C ATOM 415 C ILE A 50 5.558 -26.487 -27.164 1.00 0.00 C ATOM 416 O ILE A 50 6.725 -26.409 -27.573 1.00 0.00 O ATOM 417 CB ILE A 50 5.678 -26.025 -24.632 1.00 0.00 C ATOM 418 CG1 ILE A 50 5.356 -26.594 -23.206 1.00 0.00 C ATOM 419 CG2 ILE A 50 5.004 -24.648 -24.847 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.894 -26.944 -22.955 1.00 0.00 C ATOM 0 H ILE A 50 6.788 -28.260 -24.926 1.00 0.00 H new ATOM 0 HA ILE A 50 4.211 -27.257 -25.661 1.00 0.00 H new ATOM 0 HB ILE A 50 6.754 -25.867 -24.704 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.958 -27.488 -23.046 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.669 -25.861 -22.462 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.307 -23.967 -24.052 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.309 -24.240 -25.811 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.921 -24.767 -24.830 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.781 -27.328 -21.941 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.280 -26.051 -23.076 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.574 -27.703 -23.668 1.00 0.00 H new ATOM 492 N SER A 55 -1.776 -22.672 -32.858 1.00 0.00 N ATOM 493 CA SER A 55 -3.088 -23.273 -32.563 1.00 0.00 C ATOM 494 C SER A 55 -2.956 -24.665 -31.907 1.00 0.00 C ATOM 495 O SER A 55 -1.981 -25.396 -32.148 1.00 0.00 O ATOM 496 CB SER A 55 -3.896 -23.347 -33.875 1.00 0.00 C ATOM 497 OG SER A 55 -3.159 -23.991 -34.905 1.00 0.00 O ATOM 0 HA SER A 55 -3.611 -22.648 -31.839 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.827 -23.887 -33.700 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.166 -22.340 -34.194 1.00 0.00 H new ATOM 0 HG SER A 55 -2.200 -23.915 -34.718 1.00 0.00 H new ATOM 503 N LEU A 56 -3.954 -25.014 -31.079 1.00 0.00 N ATOM 504 CA LEU A 56 -3.990 -26.289 -30.320 1.00 0.00 C ATOM 505 C LEU A 56 -5.235 -27.135 -30.698 1.00 0.00 C ATOM 506 O LEU A 56 -6.006 -26.745 -31.579 1.00 0.00 O ATOM 507 CB LEU A 56 -3.907 -25.991 -28.779 1.00 0.00 C ATOM 508 CG LEU A 56 -4.702 -24.748 -28.236 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.214 -24.872 -28.441 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.384 -24.459 -26.752 1.00 0.00 C ATOM 0 H LEU A 56 -4.767 -24.421 -30.912 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.123 -26.891 -30.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.259 -26.874 -28.246 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.857 -25.859 -28.518 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.360 -23.901 -28.831 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.709 -23.985 -28.046 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.430 -24.965 -29.505 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.581 -25.755 -27.918 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.955 -23.592 -26.420 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.653 -25.325 -26.147 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.319 -24.256 -26.641 1.00 0.00 H new ATOM 522 N ASP A 57 -5.413 -28.294 -30.024 1.00 0.00 N ATOM 523 CA ASP A 57 -6.546 -29.233 -30.285 1.00 0.00 C ATOM 524 C ASP A 57 -7.646 -29.139 -29.212 1.00 0.00 C ATOM 525 O ASP A 57 -8.753 -29.664 -29.398 1.00 0.00 O ATOM 526 CB ASP A 57 -6.040 -30.698 -30.344 1.00 0.00 C ATOM 527 CG ASP A 57 -5.026 -30.952 -31.472 1.00 0.00 C ATOM 528 OD1 ASP A 57 -3.826 -30.701 -31.268 1.00 0.00 O ATOM 529 OD2 ASP A 57 -5.423 -31.403 -32.567 1.00 0.00 O ATOM 0 H ASP A 57 -4.783 -28.610 -29.286 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.972 -28.939 -31.244 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.581 -30.954 -29.389 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.893 -31.364 -30.476 1.00 0.00 H new ATOM 534 N GLU A 58 -7.352 -28.428 -28.119 1.00 0.00 N ATOM 535 CA GLU A 58 -8.131 -28.479 -26.862 1.00 0.00 C ATOM 536 C GLU A 58 -8.229 -27.073 -26.244 1.00 0.00 C ATOM 537 O GLU A 58 -7.225 -26.511 -25.793 1.00 0.00 O ATOM 538 CB GLU A 58 -7.489 -29.464 -25.840 1.00 0.00 C ATOM 539 CG GLU A 58 -7.480 -30.943 -26.275 1.00 0.00 C ATOM 540 CD GLU A 58 -6.736 -31.845 -25.280 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.503 -32.010 -25.416 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.375 -32.373 -24.343 1.00 0.00 O ATOM 0 H GLU A 58 -6.557 -27.790 -28.074 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.132 -28.840 -27.100 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.462 -29.150 -25.652 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.025 -29.383 -24.894 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.507 -31.293 -26.380 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.012 -31.027 -27.256 1.00 0.00 H new ATOM 549 N CYS A 59 -9.444 -26.517 -26.283 1.00 0.00 N ATOM 550 CA CYS A 59 -9.815 -25.235 -25.637 1.00 0.00 C ATOM 551 C CYS A 59 -9.376 -25.166 -24.161 1.00 0.00 C ATOM 552 O CYS A 59 -9.794 -25.995 -23.376 1.00 0.00 O ATOM 553 CB CYS A 59 -11.338 -25.105 -25.712 1.00 0.00 C ATOM 554 SG CYS A 59 -12.060 -23.763 -24.732 1.00 0.00 S ATOM 0 H CYS A 59 -10.224 -26.951 -26.776 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.307 -24.424 -26.159 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.621 -24.962 -26.755 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.781 -26.046 -25.388 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.223 -23.447 -25.220 1.00 0.00 H new ATOM 559 N GLU A 60 -8.579 -24.143 -23.793 1.00 0.00 N ATOM 560 CA GLU A 60 -8.029 -24.006 -22.420 1.00 0.00 C ATOM 561 C GLU A 60 -9.113 -23.688 -21.347 1.00 0.00 C ATOM 562 O GLU A 60 -8.818 -23.724 -20.150 1.00 0.00 O ATOM 563 CB GLU A 60 -6.922 -22.915 -22.393 1.00 0.00 C ATOM 564 CG GLU A 60 -7.405 -21.499 -22.775 1.00 0.00 C ATOM 565 CD GLU A 60 -6.365 -20.388 -22.538 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.180 -20.575 -22.882 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.741 -19.302 -22.042 1.00 0.00 O ATOM 0 H GLU A 60 -8.298 -23.395 -24.427 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.607 -24.977 -22.160 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.490 -22.880 -21.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.124 -23.209 -23.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.688 -21.496 -23.827 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.303 -21.268 -22.202 1.00 0.00 H new ATOM 574 N GLU A 61 -10.353 -23.383 -21.785 1.00 0.00 N ATOM 575 CA GLU A 61 -11.467 -23.013 -20.876 1.00 0.00 C ATOM 576 C GLU A 61 -12.275 -24.243 -20.469 1.00 0.00 C ATOM 577 O GLU A 61 -12.546 -24.463 -19.282 1.00 0.00 O ATOM 578 CB GLU A 61 -12.409 -22.000 -21.571 1.00 0.00 C ATOM 579 CG GLU A 61 -11.701 -20.743 -22.081 1.00 0.00 C ATOM 580 CD GLU A 61 -11.051 -19.895 -20.976 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.769 -19.135 -20.297 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.820 -19.971 -20.782 1.00 0.00 O ATOM 0 H GLU A 61 -10.613 -23.385 -22.771 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.032 -22.563 -19.983 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.901 -22.493 -22.409 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.190 -21.706 -20.870 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.934 -21.037 -22.797 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.421 -20.127 -22.620 1.00 0.00 H new ATOM 589 N CYS A 62 -12.667 -25.046 -21.473 1.00 0.00 N ATOM 590 CA CYS A 62 -13.656 -26.130 -21.279 1.00 0.00 C ATOM 591 C CYS A 62 -13.241 -27.423 -22.007 1.00 0.00 C ATOM 592 O CYS A 62 -14.060 -28.329 -22.187 1.00 0.00 O ATOM 593 CB CYS A 62 -15.056 -25.627 -21.724 1.00 0.00 C ATOM 594 SG CYS A 62 -15.333 -25.462 -23.528 1.00 0.00 S ATOM 0 H CYS A 62 -12.317 -24.968 -22.428 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.699 -26.388 -20.221 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.806 -26.310 -21.325 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.232 -24.656 -21.262 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.308 -24.877 -24.073 1.00 0.00 H new ATOM 599 N GLY A 63 -11.950 -27.496 -22.396 1.00 0.00 N ATOM 600 CA GLY A 63 -11.347 -28.665 -23.076 1.00 0.00 C ATOM 601 C GLY A 63 -12.026 -29.074 -24.381 1.00 0.00 C ATOM 602 O GLY A 63 -11.768 -30.159 -24.905 1.00 0.00 O ATOM 0 H GLY A 63 -11.288 -26.735 -22.245 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.299 -28.446 -23.282 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.366 -29.514 -22.392 1.00 0.00 H new ATOM 606 N ALA A 64 -12.853 -28.175 -24.920 1.00 0.00 N ATOM 607 CA ALA A 64 -13.722 -28.460 -26.064 1.00 0.00 C ATOM 608 C ALA A 64 -12.910 -28.546 -27.377 1.00 0.00 C ATOM 609 O ALA A 64 -11.992 -27.724 -27.573 1.00 0.00 O ATOM 610 CB ALA A 64 -14.823 -27.400 -26.140 1.00 0.00 C ATOM 0 H ALA A 64 -12.939 -27.220 -24.571 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.190 -29.435 -25.926 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.472 -27.609 -26.991 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.411 -27.419 -25.222 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.372 -26.415 -26.261 1.00 0.00 H new ATOM 616 N PRO A 65 -13.245 -29.518 -28.293 1.00 0.00 N ATOM 617 CA PRO A 65 -12.441 -29.804 -29.505 1.00 0.00 C ATOM 618 C PRO A 65 -12.352 -28.587 -30.456 1.00 0.00 C ATOM 619 O PRO A 65 -13.369 -28.102 -30.972 1.00 0.00 O ATOM 620 CB PRO A 65 -13.172 -31.010 -30.161 1.00 0.00 C ATOM 621 CG PRO A 65 -14.568 -30.956 -29.623 1.00 0.00 C ATOM 622 CD PRO A 65 -14.446 -30.402 -28.221 1.00 0.00 C ATOM 0 HA PRO A 65 -11.401 -30.026 -29.267 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.165 -30.932 -31.248 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.687 -31.952 -29.906 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.201 -30.320 -30.241 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.023 -31.947 -29.614 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.337 -29.844 -27.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.315 -31.197 -27.486 1.00 0.00 H new ATOM 630 N ILE A 66 -11.123 -28.084 -30.614 1.00 0.00 N ATOM 631 CA ILE A 66 -10.795 -26.979 -31.522 1.00 0.00 C ATOM 632 C ILE A 66 -10.913 -27.442 -32.997 1.00 0.00 C ATOM 633 O ILE A 66 -10.234 -28.390 -33.384 1.00 0.00 O ATOM 634 CB ILE A 66 -9.333 -26.463 -31.228 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.209 -26.037 -29.745 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.926 -25.301 -32.176 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.905 -24.756 -29.393 1.00 0.00 C ATOM 0 H ILE A 66 -10.314 -28.440 -30.105 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.500 -26.164 -31.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.643 -27.285 -31.419 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.609 -26.834 -29.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.152 -25.938 -29.498 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.913 -24.976 -31.939 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.965 -25.644 -33.210 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.615 -24.466 -32.045 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.761 -24.543 -28.334 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.490 -23.942 -29.987 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.971 -24.852 -29.602 1.00 0.00 H new ATOM 649 N PRO A 67 -11.784 -26.795 -33.835 1.00 0.00 N ATOM 650 CA PRO A 67 -11.918 -27.135 -35.263 1.00 0.00 C ATOM 651 C PRO A 67 -10.815 -26.466 -36.094 1.00 0.00 C ATOM 652 O PRO A 67 -10.212 -25.469 -35.655 1.00 0.00 O ATOM 653 CB PRO A 67 -13.317 -26.573 -35.614 1.00 0.00 C ATOM 654 CG PRO A 67 -13.439 -25.356 -34.757 1.00 0.00 C ATOM 655 CD PRO A 67 -12.697 -25.684 -33.467 1.00 0.00 C ATOM 0 HA PRO A 67 -11.821 -28.201 -35.470 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.394 -26.326 -36.673 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.104 -27.295 -35.397 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.004 -24.486 -35.249 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.484 -25.120 -34.558 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.143 -24.821 -33.097 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.387 -25.982 -32.677 1.00 0.00 H new ATOM 663 N GLN A 68 -10.574 -26.996 -37.305 1.00 0.00 N ATOM 664 CA GLN A 68 -9.571 -26.455 -38.238 1.00 0.00 C ATOM 665 C GLN A 68 -9.911 -25.003 -38.618 1.00 0.00 C ATOM 666 O GLN A 68 -9.021 -24.237 -38.970 1.00 0.00 O ATOM 667 CB GLN A 68 -9.446 -27.355 -39.508 1.00 0.00 C ATOM 668 CG GLN A 68 -10.683 -27.361 -40.468 1.00 0.00 C ATOM 669 CD GLN A 68 -10.507 -26.580 -41.797 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.660 -25.551 -41.821 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.139 -26.913 -42.802 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.069 -27.812 -37.665 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.604 -26.455 -37.736 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.573 -27.031 -40.074 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.255 -28.379 -39.186 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.930 -28.396 -40.706 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.537 -26.944 -39.933 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.782 -27.704 -42.761 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.019 -26.398 -43.674 1.00 0.00 H new ATOM 680 N ALA A 69 -11.209 -24.649 -38.489 1.00 0.00 N ATOM 681 CA ALA A 69 -11.750 -23.340 -38.864 1.00 0.00 C ATOM 682 C ALA A 69 -11.142 -22.224 -38.005 1.00 0.00 C ATOM 683 O ALA A 69 -10.748 -21.181 -38.517 1.00 0.00 O ATOM 684 CB ALA A 69 -13.283 -23.367 -38.737 1.00 0.00 C ATOM 0 H ALA A 69 -11.916 -25.282 -38.114 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.484 -23.129 -39.900 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.688 -22.394 -39.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.689 -24.132 -39.398 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.559 -23.594 -37.707 1.00 0.00 H new ATOM 690 N ARG A 70 -11.059 -22.471 -36.686 1.00 0.00 N ATOM 691 CA ARG A 70 -10.459 -21.516 -35.732 1.00 0.00 C ATOM 692 C ARG A 70 -8.929 -21.485 -35.869 1.00 0.00 C ATOM 693 O ARG A 70 -8.301 -20.457 -35.618 1.00 0.00 O ATOM 694 CB ARG A 70 -10.852 -21.846 -34.268 1.00 0.00 C ATOM 695 CG ARG A 70 -12.371 -21.889 -33.992 1.00 0.00 C ATOM 696 CD ARG A 70 -13.131 -20.639 -34.492 1.00 0.00 C ATOM 697 NE ARG A 70 -12.586 -19.354 -33.999 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.827 -18.160 -34.574 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.573 -18.064 -35.674 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.304 -17.056 -34.064 1.00 0.00 N ATOM 0 H ARG A 70 -11.401 -23.328 -36.253 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.854 -20.530 -35.977 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.422 -22.812 -34.002 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.400 -21.104 -33.610 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.793 -22.774 -34.469 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.533 -21.997 -32.920 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.116 -20.632 -35.582 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.175 -20.718 -34.188 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.990 -19.374 -33.171 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.972 -18.903 -36.094 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.745 -17.151 -36.096 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.716 -17.107 -33.232 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.489 -16.154 -34.503 1.00 0.00 H new ATOM 714 N ARG A 71 -8.343 -22.636 -36.243 1.00 0.00 N ATOM 715 CA ARG A 71 -6.880 -22.796 -36.373 1.00 0.00 C ATOM 716 C ARG A 71 -6.338 -22.043 -37.608 1.00 0.00 C ATOM 717 O ARG A 71 -5.201 -21.557 -37.591 1.00 0.00 O ATOM 718 CB ARG A 71 -6.514 -24.299 -36.473 1.00 0.00 C ATOM 719 CG ARG A 71 -7.034 -25.176 -35.314 1.00 0.00 C ATOM 720 CD ARG A 71 -6.688 -26.667 -35.505 1.00 0.00 C ATOM 721 NE ARG A 71 -7.403 -27.557 -34.564 1.00 0.00 N ATOM 722 CZ ARG A 71 -6.911 -28.714 -34.085 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.638 -29.047 -34.276 1.00 0.00 N ATOM 724 NH2 ARG A 71 -7.682 -29.524 -33.381 1.00 0.00 N ATOM 0 H ARG A 71 -8.868 -23.482 -36.464 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.418 -22.368 -35.484 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.908 -24.692 -37.411 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.429 -24.391 -36.520 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.607 -24.824 -34.375 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.115 -25.064 -35.234 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.928 -26.961 -36.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.614 -26.803 -35.379 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.334 -27.274 -34.257 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.019 -28.422 -34.792 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.280 -29.928 -33.906 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.654 -29.273 -33.199 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.305 -30.400 -33.020 1.00 0.00 H new ATOM 738 N GLU A 72 -7.148 -21.981 -38.685 1.00 0.00 N ATOM 739 CA GLU A 72 -6.755 -21.307 -39.943 1.00 0.00 C ATOM 740 C GLU A 72 -7.146 -19.825 -39.905 1.00 0.00 C ATOM 741 O GLU A 72 -6.498 -18.979 -40.533 1.00 0.00 O ATOM 742 CB GLU A 72 -7.324 -22.057 -41.191 1.00 0.00 C ATOM 743 CG GLU A 72 -8.866 -22.199 -41.293 1.00 0.00 C ATOM 744 CD GLU A 72 -9.580 -21.029 -41.996 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.454 -20.911 -43.235 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.277 -20.241 -41.329 1.00 0.00 O ATOM 0 H GLU A 72 -8.082 -22.391 -38.710 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.670 -21.346 -40.037 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.973 -21.540 -42.084 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.891 -23.057 -41.210 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.097 -23.120 -41.828 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.274 -22.303 -40.288 1.00 0.00 H new ATOM 753 N ALA A 73 -8.223 -19.527 -39.154 1.00 0.00 N ATOM 754 CA ALA A 73 -8.634 -18.143 -38.849 1.00 0.00 C ATOM 755 C ALA A 73 -7.584 -17.459 -37.954 1.00 0.00 C ATOM 756 O ALA A 73 -7.245 -16.289 -38.151 1.00 0.00 O ATOM 757 CB ALA A 73 -10.013 -18.128 -38.161 1.00 0.00 C ATOM 0 H ALA A 73 -8.831 -20.236 -38.743 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.709 -17.591 -39.786 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.300 -17.099 -37.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.754 -18.580 -38.821 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.962 -18.695 -37.231 1.00 0.00 H new ATOM 763 N ILE A 74 -7.099 -18.221 -36.948 1.00 0.00 N ATOM 764 CA ILE A 74 -6.140 -17.744 -35.937 1.00 0.00 C ATOM 765 C ILE A 74 -5.032 -18.812 -35.763 1.00 0.00 C ATOM 766 O ILE A 74 -5.301 -19.884 -35.198 1.00 0.00 O ATOM 767 CB ILE A 74 -6.831 -17.474 -34.537 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.167 -16.681 -34.708 1.00 0.00 C ATOM 769 CG2 ILE A 74 -5.855 -16.736 -33.574 1.00 0.00 C ATOM 770 CD1 ILE A 74 -8.934 -16.444 -33.420 1.00 0.00 C ATOM 0 H ILE A 74 -7.369 -19.196 -36.817 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.723 -16.799 -36.284 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.078 -18.438 -34.092 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.945 -15.717 -35.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.809 -17.223 -35.402 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.350 -16.561 -32.619 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.967 -17.349 -33.416 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.564 -15.781 -34.012 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -9.846 -15.887 -33.637 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.193 -17.402 -32.969 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.315 -15.872 -32.728 1.00 0.00 H new ATOM 782 N PRO A 75 -3.773 -18.558 -36.247 1.00 0.00 N ATOM 783 CA PRO A 75 -2.614 -19.477 -36.050 1.00 0.00 C ATOM 784 C PRO A 75 -2.001 -19.343 -34.635 1.00 0.00 C ATOM 785 O PRO A 75 -0.777 -19.330 -34.464 1.00 0.00 O ATOM 786 CB PRO A 75 -1.634 -19.016 -37.158 1.00 0.00 C ATOM 787 CG PRO A 75 -1.885 -17.543 -37.277 1.00 0.00 C ATOM 788 CD PRO A 75 -3.380 -17.369 -37.062 1.00 0.00 C ATOM 0 HA PRO A 75 -2.880 -20.532 -36.121 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.599 -19.224 -36.887 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.826 -19.531 -38.100 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.314 -16.986 -36.534 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.583 -17.171 -38.256 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.602 -16.438 -36.541 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.918 -17.340 -38.009 1.00 0.00 H new ATOM 796 N GLY A 76 -2.884 -19.306 -33.632 1.00 0.00 N ATOM 797 CA GLY A 76 -2.524 -19.066 -32.239 1.00 0.00 C ATOM 798 C GLY A 76 -3.761 -19.072 -31.350 1.00 0.00 C ATOM 799 O GLY A 76 -3.816 -18.378 -30.325 1.00 0.00 O ATOM 0 H GLY A 76 -3.885 -19.445 -33.772 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.825 -19.832 -31.902 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.013 -18.107 -32.151 1.00 0.00 H new ATOM 803 N VAL A 77 -4.772 -19.866 -31.758 1.00 0.00 N ATOM 804 CA VAL A 77 -6.056 -19.956 -31.051 1.00 0.00 C ATOM 805 C VAL A 77 -5.945 -20.920 -29.860 1.00 0.00 C ATOM 806 O VAL A 77 -5.351 -21.999 -29.974 1.00 0.00 O ATOM 807 CB VAL A 77 -7.227 -20.395 -32.017 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.999 -21.794 -32.632 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.596 -20.318 -31.307 1.00 0.00 C ATOM 0 H VAL A 77 -4.717 -20.460 -32.586 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.298 -18.961 -30.677 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.229 -19.685 -32.844 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.834 -22.044 -33.287 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.074 -21.792 -33.208 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.928 -22.535 -31.835 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.382 -20.626 -31.997 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.594 -20.979 -30.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.780 -19.294 -30.981 1.00 0.00 H new ATOM 819 N ARG A 78 -6.488 -20.495 -28.708 1.00 0.00 N ATOM 820 CA ARG A 78 -6.533 -21.305 -27.472 1.00 0.00 C ATOM 821 C ARG A 78 -7.976 -21.484 -26.953 1.00 0.00 C ATOM 822 O ARG A 78 -8.201 -22.080 -25.899 1.00 0.00 O ATOM 823 CB ARG A 78 -5.544 -20.718 -26.402 1.00 0.00 C ATOM 824 CG ARG A 78 -5.482 -19.169 -26.253 1.00 0.00 C ATOM 825 CD ARG A 78 -6.748 -18.571 -25.639 1.00 0.00 C ATOM 826 NE ARG A 78 -6.662 -17.117 -25.401 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.302 -16.461 -24.410 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.951 -17.122 -23.451 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.243 -15.144 -24.355 1.00 0.00 N ATOM 0 H ARG A 78 -6.912 -19.573 -28.604 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.189 -22.314 -27.699 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.809 -21.139 -25.432 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.541 -21.073 -26.640 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.625 -18.904 -25.633 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.316 -18.723 -27.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.592 -18.773 -26.299 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.955 -19.073 -24.694 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.077 -16.568 -26.031 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.970 -18.142 -23.458 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.429 -16.608 -22.711 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.716 -14.627 -25.059 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.725 -14.643 -23.609 1.00 0.00 H new ATOM 843 N LEU A 79 -8.957 -21.011 -27.737 1.00 0.00 N ATOM 844 CA LEU A 79 -10.392 -21.046 -27.376 1.00 0.00 C ATOM 845 C LEU A 79 -11.205 -21.776 -28.456 1.00 0.00 C ATOM 846 O LEU A 79 -10.998 -21.543 -29.651 1.00 0.00 O ATOM 847 CB LEU A 79 -10.931 -19.600 -27.210 1.00 0.00 C ATOM 848 CG LEU A 79 -10.205 -18.719 -26.157 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.601 -17.232 -26.257 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.421 -19.254 -24.744 1.00 0.00 C ATOM 0 H LEU A 79 -8.780 -20.589 -28.648 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.496 -21.584 -26.434 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.873 -19.099 -28.176 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.986 -19.655 -26.943 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.140 -18.776 -26.382 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.065 -16.661 -25.499 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.344 -16.853 -27.246 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.674 -17.130 -26.097 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.900 -18.616 -24.030 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.487 -19.260 -24.516 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.030 -20.269 -24.676 1.00 0.00 H new ATOM 862 N CYS A 80 -12.144 -22.657 -28.033 1.00 0.00 N ATOM 863 CA CYS A 80 -13.091 -23.326 -28.962 1.00 0.00 C ATOM 864 C CYS A 80 -14.035 -22.276 -29.523 1.00 0.00 C ATOM 865 O CYS A 80 -14.202 -21.246 -28.881 1.00 0.00 O ATOM 866 CB CYS A 80 -13.887 -24.445 -28.251 1.00 0.00 C ATOM 867 SG CYS A 80 -15.102 -23.860 -27.032 1.00 0.00 S ATOM 0 H CYS A 80 -12.267 -22.921 -27.056 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.529 -23.797 -29.769 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.406 -25.037 -29.005 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.183 -25.111 -27.751 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.903 -24.463 -25.897 1.00 0.00 H new ATOM 872 N ILE A 81 -14.685 -22.549 -30.671 1.00 0.00 N ATOM 873 CA ILE A 81 -15.493 -21.551 -31.423 1.00 0.00 C ATOM 874 C ILE A 81 -16.511 -20.813 -30.512 1.00 0.00 C ATOM 875 O ILE A 81 -16.772 -19.635 -30.703 1.00 0.00 O ATOM 876 CB ILE A 81 -16.239 -22.236 -32.637 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.056 -21.194 -33.474 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.128 -23.415 -32.171 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.757 -21.753 -34.705 1.00 0.00 C ATOM 0 H ILE A 81 -14.669 -23.470 -31.110 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.799 -20.804 -31.808 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.473 -22.650 -33.293 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.805 -20.739 -32.826 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.382 -20.398 -33.790 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.624 -23.860 -33.034 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.509 -24.166 -31.681 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.878 -23.050 -31.470 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.294 -20.952 -35.213 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.018 -22.181 -35.382 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.462 -22.527 -34.402 1.00 0.00 H new ATOM 891 N HIS A 82 -16.975 -21.522 -29.471 1.00 0.00 N ATOM 892 CA HIS A 82 -17.947 -21.018 -28.478 1.00 0.00 C ATOM 893 C HIS A 82 -17.276 -19.980 -27.541 1.00 0.00 C ATOM 894 O HIS A 82 -17.754 -18.849 -27.417 1.00 0.00 O ATOM 895 CB HIS A 82 -18.528 -22.219 -27.675 1.00 0.00 C ATOM 896 CG HIS A 82 -19.003 -23.350 -28.546 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.218 -23.345 -29.190 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.390 -24.504 -28.906 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.335 -24.440 -29.912 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.241 -25.165 -29.758 1.00 0.00 N ATOM 0 H HIS A 82 -16.681 -22.482 -29.289 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.766 -20.512 -28.990 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.765 -22.593 -26.992 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.359 -21.869 -27.063 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.416 -24.841 -28.584 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.183 -24.702 -30.527 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.059 -26.067 -30.199 1.00 0.00 H new ATOM 909 N CYS A 83 -16.133 -20.368 -26.924 1.00 0.00 N ATOM 910 CA CYS A 83 -15.354 -19.474 -26.023 1.00 0.00 C ATOM 911 C CYS A 83 -14.577 -18.401 -26.823 1.00 0.00 C ATOM 912 O CYS A 83 -14.107 -17.423 -26.246 1.00 0.00 O ATOM 913 CB CYS A 83 -14.344 -20.256 -25.152 1.00 0.00 C ATOM 914 SG CYS A 83 -15.038 -21.552 -24.095 1.00 0.00 S ATOM 0 H CYS A 83 -15.727 -21.297 -27.033 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.088 -18.995 -25.375 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.603 -20.710 -25.810 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.814 -19.544 -24.519 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.232 -22.628 -24.798 1.00 0.00 H new ATOM 919 N GLN A 84 -14.391 -18.621 -28.137 1.00 0.00 N ATOM 920 CA GLN A 84 -13.591 -17.722 -28.984 1.00 0.00 C ATOM 921 C GLN A 84 -14.452 -16.551 -29.442 1.00 0.00 C ATOM 922 O GLN A 84 -14.062 -15.412 -29.256 1.00 0.00 O ATOM 923 CB GLN A 84 -12.973 -18.481 -30.212 1.00 0.00 C ATOM 924 CG GLN A 84 -11.552 -18.018 -30.647 1.00 0.00 C ATOM 925 CD GLN A 84 -11.359 -16.495 -30.688 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.648 -15.850 -31.680 1.00 0.00 O ATOM 927 NE2 GLN A 84 -10.847 -15.921 -29.605 1.00 0.00 N ATOM 0 H GLN A 84 -14.787 -19.418 -28.636 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.758 -17.342 -28.393 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.932 -19.544 -29.975 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.647 -18.369 -31.061 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.820 -18.445 -29.962 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.339 -18.425 -31.636 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.615 -16.487 -28.789 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.686 -14.914 -29.589 1.00 0.00 H new