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= 0.808 USER MOD Set 1.2: A 62 CYS SG : rot -43:sc= -1.06 USER MOD Set 1.3: A 80 CYS SG : rot -135:sc= 0.637 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0648 X(o=0.52,f=0.58) USER MOD Set 1.5: A 83 CYS SG : rot 76:sc= 0.196 USER MOD Single : A 38 THR OG1 : rot 22:sc= 0.0405 USER MOD Single : A 55 SER OG : rot -25:sc= 0.0601 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0131 F(o=-0.51,f=-0.013) USER MOD Single : A 84 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 6.663 -18.815 -16.774 1.00 0.00 N ATOM 235 CA THR A 38 7.983 -19.171 -16.231 1.00 0.00 C ATOM 236 C THR A 38 8.070 -20.695 -16.000 1.00 0.00 C ATOM 237 O THR A 38 9.079 -21.334 -16.336 1.00 0.00 O ATOM 238 CB THR A 38 8.255 -18.410 -14.890 1.00 0.00 C ATOM 239 OG1 THR A 38 8.197 -16.985 -15.110 1.00 0.00 O ATOM 240 CG2 THR A 38 9.620 -18.782 -14.274 1.00 0.00 C ATOM 0 HA THR A 38 8.742 -18.876 -16.956 1.00 0.00 H new ATOM 0 HB THR A 38 7.480 -18.711 -14.185 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.674 -16.800 -15.918 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.763 -18.229 -13.346 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.646 -19.852 -14.067 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.416 -18.528 -14.974 1.00 0.00 H new ATOM 248 N ILE A 39 6.977 -21.255 -15.446 1.00 0.00 N ATOM 249 CA ILE A 39 6.881 -22.681 -15.085 1.00 0.00 C ATOM 250 C ILE A 39 6.962 -23.532 -16.365 1.00 0.00 C ATOM 251 O ILE A 39 7.759 -24.477 -16.465 1.00 0.00 O ATOM 252 CB ILE A 39 5.537 -23.014 -14.300 1.00 0.00 C ATOM 253 CG1 ILE A 39 5.429 -22.243 -12.929 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.377 -24.543 -14.078 1.00 0.00 C ATOM 255 CD1 ILE A 39 5.099 -20.753 -13.012 1.00 0.00 C ATOM 0 H ILE A 39 6.131 -20.726 -15.235 1.00 0.00 H new ATOM 0 HA ILE A 39 7.711 -22.915 -14.419 1.00 0.00 H new ATOM 0 HB ILE A 39 4.719 -22.666 -14.931 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.665 -22.729 -12.323 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.375 -22.355 -12.399 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.450 -24.737 -13.539 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.349 -25.050 -15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.220 -24.916 -13.496 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.052 -20.334 -12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.873 -20.240 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.136 -20.621 -13.506 1.00 0.00 H new ATOM 267 N GLU A 40 6.163 -23.122 -17.358 1.00 0.00 N ATOM 268 CA GLU A 40 6.012 -23.842 -18.629 1.00 0.00 C ATOM 269 C GLU A 40 7.243 -23.627 -19.533 1.00 0.00 C ATOM 270 O GLU A 40 7.586 -24.515 -20.315 1.00 0.00 O ATOM 271 CB GLU A 40 4.704 -23.397 -19.328 1.00 0.00 C ATOM 272 CG GLU A 40 4.668 -21.916 -19.755 1.00 0.00 C ATOM 273 CD GLU A 40 3.275 -21.435 -20.200 1.00 0.00 C ATOM 274 OE1 GLU A 40 2.909 -21.633 -21.381 1.00 0.00 O ATOM 275 OE2 GLU A 40 2.539 -20.851 -19.367 1.00 0.00 O ATOM 0 H GLU A 40 5.598 -22.274 -17.302 1.00 0.00 H new ATOM 0 HA GLU A 40 5.946 -24.911 -18.428 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.551 -24.018 -20.210 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.867 -23.587 -18.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.007 -21.299 -18.923 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.373 -21.765 -20.572 1.00 0.00 H new ATOM 282 N ASP A 41 7.907 -22.455 -19.396 1.00 0.00 N ATOM 283 CA ASP A 41 9.158 -22.143 -20.131 1.00 0.00 C ATOM 284 C ASP A 41 10.279 -23.086 -19.697 1.00 0.00 C ATOM 285 O ASP A 41 11.026 -23.587 -20.530 1.00 0.00 O ATOM 286 CB ASP A 41 9.603 -20.673 -19.889 1.00 0.00 C ATOM 287 CG ASP A 41 10.956 -20.309 -20.554 1.00 0.00 C ATOM 288 OD1 ASP A 41 10.971 -19.968 -21.754 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.013 -20.345 -19.865 1.00 0.00 O ATOM 0 H ASP A 41 7.595 -21.705 -18.779 1.00 0.00 H new ATOM 0 HA ASP A 41 8.957 -22.277 -21.194 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.831 -20.003 -20.268 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.678 -20.498 -18.816 1.00 0.00 H new ATOM 294 N ALA A 42 10.375 -23.309 -18.375 1.00 0.00 N ATOM 295 CA ALA A 42 11.405 -24.172 -17.773 1.00 0.00 C ATOM 296 C ALA A 42 11.314 -25.615 -18.316 1.00 0.00 C ATOM 297 O ALA A 42 12.336 -26.275 -18.533 1.00 0.00 O ATOM 298 CB ALA A 42 11.289 -24.139 -16.245 1.00 0.00 C ATOM 0 H ALA A 42 9.739 -22.895 -17.693 1.00 0.00 H new ATOM 0 HA ALA A 42 12.386 -23.788 -18.051 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.055 -24.780 -15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.426 -23.117 -15.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.303 -24.496 -15.947 1.00 0.00 H new ATOM 304 N ILE A 43 10.081 -26.071 -18.564 1.00 0.00 N ATOM 305 CA ILE A 43 9.806 -27.413 -19.106 1.00 0.00 C ATOM 306 C ILE A 43 9.958 -27.420 -20.654 1.00 0.00 C ATOM 307 O ILE A 43 10.330 -28.441 -21.262 1.00 0.00 O ATOM 308 CB ILE A 43 8.365 -27.887 -18.687 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.140 -27.716 -17.145 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.100 -29.348 -19.117 1.00 0.00 C ATOM 311 CD1 ILE A 43 9.098 -28.502 -16.256 1.00 0.00 C ATOM 0 H ILE A 43 9.240 -25.519 -18.395 1.00 0.00 H new ATOM 0 HA ILE A 43 10.533 -28.110 -18.690 1.00 0.00 H new ATOM 0 HB ILE A 43 7.651 -27.251 -19.209 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.226 -26.658 -16.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.120 -28.018 -16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.096 -29.641 -18.811 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.188 -29.430 -20.200 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.830 -30.005 -18.643 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.859 -28.315 -15.209 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.999 -29.567 -16.467 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.122 -28.186 -16.456 1.00 0.00 H new ATOM 323 N ALA A 44 9.683 -26.259 -21.278 1.00 0.00 N ATOM 324 CA ALA A 44 9.775 -26.080 -22.740 1.00 0.00 C ATOM 325 C ALA A 44 11.235 -25.954 -23.206 1.00 0.00 C ATOM 326 O ALA A 44 11.542 -26.270 -24.356 1.00 0.00 O ATOM 327 CB ALA A 44 8.966 -24.855 -23.180 1.00 0.00 C ATOM 0 H ALA A 44 9.390 -25.417 -20.782 1.00 0.00 H new ATOM 0 HA ALA A 44 9.354 -26.970 -23.209 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.044 -24.737 -24.261 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.920 -24.991 -22.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.358 -23.965 -22.688 1.00 0.00 H new ATOM 333 N ARG A 45 12.128 -25.484 -22.319 1.00 0.00 N ATOM 334 CA ARG A 45 13.576 -25.383 -22.612 1.00 0.00 C ATOM 335 C ARG A 45 14.288 -26.691 -22.228 1.00 0.00 C ATOM 336 O ARG A 45 15.377 -26.987 -22.729 1.00 0.00 O ATOM 337 CB ARG A 45 14.200 -24.157 -21.877 1.00 0.00 C ATOM 338 CG ARG A 45 14.218 -24.248 -20.331 1.00 0.00 C ATOM 339 CD ARG A 45 14.428 -22.883 -19.642 1.00 0.00 C ATOM 340 NE ARG A 45 15.717 -22.259 -19.986 1.00 0.00 N ATOM 341 CZ ARG A 45 16.018 -20.961 -19.822 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.102 -20.093 -19.392 1.00 0.00 N ATOM 343 NH2 ARG A 45 17.233 -20.530 -20.131 1.00 0.00 N ATOM 0 H ARG A 45 11.874 -25.164 -21.384 1.00 0.00 H new ATOM 0 HA ARG A 45 13.710 -25.228 -23.683 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.224 -24.027 -22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.648 -23.262 -22.165 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.277 -24.679 -19.988 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.012 -24.929 -20.023 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.618 -22.211 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.371 -23.015 -18.561 1.00 0.00 H new ATOM 0 HE ARG A 45 16.439 -22.862 -20.381 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.156 -20.412 -19.182 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.347 -19.110 -19.273 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.930 -21.183 -20.490 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.471 -19.546 -20.010 1.00 0.00 H new ATOM 357 N ALA A 46 13.643 -27.472 -21.333 1.00 0.00 N ATOM 358 CA ALA A 46 14.152 -28.779 -20.886 1.00 0.00 C ATOM 359 C ALA A 46 13.945 -29.857 -21.967 1.00 0.00 C ATOM 360 O ALA A 46 14.891 -30.558 -22.343 1.00 0.00 O ATOM 361 CB ALA A 46 13.457 -29.194 -19.578 1.00 0.00 C ATOM 0 H ALA A 46 12.756 -27.210 -20.903 1.00 0.00 H new ATOM 0 HA ALA A 46 15.223 -28.685 -20.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.839 -30.162 -19.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.656 -28.449 -18.808 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.382 -29.265 -19.744 1.00 0.00 H new ATOM 367 N ARG A 47 12.696 -29.978 -22.467 1.00 0.00 N ATOM 368 CA ARG A 47 12.310 -31.051 -23.415 1.00 0.00 C ATOM 369 C ARG A 47 11.241 -30.609 -24.440 1.00 0.00 C ATOM 370 O ARG A 47 10.813 -31.420 -25.268 1.00 0.00 O ATOM 371 CB ARG A 47 11.871 -32.325 -22.619 1.00 0.00 C ATOM 372 CG ARG A 47 10.813 -32.130 -21.486 1.00 0.00 C ATOM 373 CD ARG A 47 9.373 -31.875 -21.986 1.00 0.00 C ATOM 374 NE ARG A 47 8.953 -32.865 -23.013 1.00 0.00 N ATOM 375 CZ ARG A 47 7.719 -33.375 -23.165 1.00 0.00 C ATOM 376 NH1 ARG A 47 6.756 -33.112 -22.290 1.00 0.00 N ATOM 377 NH2 ARG A 47 7.468 -34.182 -24.188 1.00 0.00 N ATOM 0 H ARG A 47 11.933 -29.344 -22.230 1.00 0.00 H new ATOM 0 HA ARG A 47 13.189 -31.292 -24.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.474 -33.048 -23.331 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.762 -32.770 -22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.812 -33.017 -20.852 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.120 -31.292 -20.861 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.684 -31.915 -21.142 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.307 -30.870 -22.404 1.00 0.00 H new ATOM 0 HE ARG A 47 9.669 -33.187 -23.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.947 -32.514 -21.486 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.825 -33.508 -22.422 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.209 -34.411 -24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.534 -34.574 -24.311 1.00 0.00 H new ATOM 391 N GLY A 48 10.810 -29.340 -24.373 1.00 0.00 N ATOM 392 CA GLY A 48 9.874 -28.783 -25.360 1.00 0.00 C ATOM 393 C GLY A 48 8.457 -29.315 -25.234 1.00 0.00 C ATOM 394 O GLY A 48 7.870 -29.755 -26.226 1.00 0.00 O ATOM 0 H GLY A 48 11.094 -28.682 -23.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.855 -27.698 -25.256 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.245 -29.001 -26.361 1.00 0.00 H new ATOM 398 N GLU A 49 7.913 -29.291 -24.004 1.00 0.00 N ATOM 399 CA GLU A 49 6.510 -29.672 -23.735 1.00 0.00 C ATOM 400 C GLU A 49 5.544 -28.705 -24.448 1.00 0.00 C ATOM 401 O GLU A 49 4.604 -29.131 -25.133 1.00 0.00 O ATOM 402 CB GLU A 49 6.246 -29.655 -22.210 1.00 0.00 C ATOM 403 CG GLU A 49 4.806 -30.012 -21.791 1.00 0.00 C ATOM 404 CD GLU A 49 4.563 -29.850 -20.279 1.00 0.00 C ATOM 405 OE1 GLU A 49 4.422 -28.698 -19.813 1.00 0.00 O ATOM 406 OE2 GLU A 49 4.525 -30.869 -19.554 1.00 0.00 O ATOM 0 H GLU A 49 8.429 -29.009 -23.170 1.00 0.00 H new ATOM 0 HA GLU A 49 6.340 -30.678 -24.118 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.931 -30.354 -21.731 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.484 -28.663 -21.827 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.107 -29.378 -22.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.594 -31.042 -22.079 1.00 0.00 H new ATOM 413 N ILE A 50 5.793 -27.403 -24.243 1.00 0.00 N ATOM 414 CA ILE A 50 5.096 -26.330 -24.954 1.00 0.00 C ATOM 415 C ILE A 50 5.504 -26.383 -26.448 1.00 0.00 C ATOM 416 O ILE A 50 6.706 -26.505 -26.744 1.00 0.00 O ATOM 417 CB ILE A 50 5.439 -24.923 -24.318 1.00 0.00 C ATOM 418 CG1 ILE A 50 4.976 -24.861 -22.822 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.856 -23.745 -25.144 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.481 -25.060 -22.599 1.00 0.00 C ATOM 0 H ILE A 50 6.487 -27.067 -23.576 1.00 0.00 H new ATOM 0 HA ILE A 50 4.018 -26.468 -24.868 1.00 0.00 H new ATOM 0 HB ILE A 50 6.523 -24.812 -24.343 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.516 -25.622 -22.259 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.264 -23.894 -22.409 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.119 -22.801 -24.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.268 -23.769 -26.153 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.771 -23.837 -25.193 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.261 -25.000 -21.533 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.928 -24.284 -23.128 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.184 -26.039 -22.976 1.00 0.00 H new ATOM 492 N SER A 55 -1.456 -23.257 -33.035 1.00 0.00 N ATOM 493 CA SER A 55 -2.824 -23.525 -32.583 1.00 0.00 C ATOM 494 C SER A 55 -2.923 -24.917 -31.931 1.00 0.00 C ATOM 495 O SER A 55 -2.291 -25.880 -32.383 1.00 0.00 O ATOM 496 CB SER A 55 -3.776 -23.419 -33.784 1.00 0.00 C ATOM 497 OG SER A 55 -3.299 -24.182 -34.881 1.00 0.00 O ATOM 0 HA SER A 55 -3.106 -22.789 -31.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.768 -23.768 -33.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.879 -22.375 -34.080 1.00 0.00 H new ATOM 0 HG SER A 55 -2.327 -24.286 -34.809 1.00 0.00 H new ATOM 503 N LEU A 56 -3.718 -24.989 -30.862 1.00 0.00 N ATOM 504 CA LEU A 56 -3.975 -26.224 -30.106 1.00 0.00 C ATOM 505 C LEU A 56 -5.297 -26.871 -30.583 1.00 0.00 C ATOM 506 O LEU A 56 -6.030 -26.271 -31.378 1.00 0.00 O ATOM 507 CB LEU A 56 -3.971 -25.894 -28.572 1.00 0.00 C ATOM 508 CG LEU A 56 -4.721 -24.584 -28.122 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.245 -24.710 -28.224 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.308 -24.135 -26.707 1.00 0.00 C ATOM 0 H LEU A 56 -4.212 -24.179 -30.488 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.189 -26.957 -30.286 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.414 -26.737 -28.043 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.934 -25.821 -28.244 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.410 -23.811 -28.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.710 -23.778 -27.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.525 -24.916 -29.257 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.586 -25.525 -27.586 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.851 -23.228 -26.440 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.544 -24.923 -25.992 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.237 -23.936 -26.687 1.00 0.00 H new ATOM 522 N ASP A 57 -5.595 -28.086 -30.083 1.00 0.00 N ATOM 523 CA ASP A 57 -6.813 -28.855 -30.463 1.00 0.00 C ATOM 524 C ASP A 57 -7.805 -28.978 -29.284 1.00 0.00 C ATOM 525 O ASP A 57 -8.876 -29.574 -29.426 1.00 0.00 O ATOM 526 CB ASP A 57 -6.423 -30.263 -30.979 1.00 0.00 C ATOM 527 CG ASP A 57 -5.770 -31.153 -29.903 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.602 -30.897 -29.543 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.416 -32.106 -29.420 1.00 0.00 O ATOM 0 H ASP A 57 -5.004 -28.568 -29.405 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.311 -28.305 -31.261 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.314 -30.762 -31.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.735 -30.156 -31.818 1.00 0.00 H new ATOM 534 N GLU A 58 -7.462 -28.354 -28.147 1.00 0.00 N ATOM 535 CA GLU A 58 -8.224 -28.433 -26.880 1.00 0.00 C ATOM 536 C GLU A 58 -8.292 -27.040 -26.236 1.00 0.00 C ATOM 537 O GLU A 58 -7.272 -26.510 -25.790 1.00 0.00 O ATOM 538 CB GLU A 58 -7.581 -29.451 -25.895 1.00 0.00 C ATOM 539 CG GLU A 58 -7.671 -30.914 -26.346 1.00 0.00 C ATOM 540 CD GLU A 58 -6.961 -31.874 -25.386 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.718 -32.012 -25.479 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.629 -32.488 -24.527 1.00 0.00 O ATOM 0 H GLU A 58 -6.631 -27.767 -28.075 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.232 -28.782 -27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.532 -29.190 -25.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.065 -29.353 -24.923 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.719 -31.200 -26.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.234 -31.011 -27.340 1.00 0.00 H new ATOM 549 N CYS A 59 -9.498 -26.454 -26.254 1.00 0.00 N ATOM 550 CA CYS A 59 -9.822 -25.142 -25.647 1.00 0.00 C ATOM 551 C CYS A 59 -9.292 -25.017 -24.212 1.00 0.00 C ATOM 552 O CYS A 59 -9.668 -25.816 -23.368 1.00 0.00 O ATOM 553 CB CYS A 59 -11.355 -25.008 -25.657 1.00 0.00 C ATOM 554 SG CYS A 59 -12.022 -23.526 -24.851 1.00 0.00 S ATOM 0 H CYS A 59 -10.304 -26.888 -26.704 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.344 -24.348 -26.221 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.695 -25.020 -26.692 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.781 -25.886 -25.171 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.137 -23.184 -25.425 1.00 0.00 H new ATOM 559 N GLU A 60 -8.461 -23.986 -23.935 1.00 0.00 N ATOM 560 CA GLU A 60 -7.813 -23.818 -22.605 1.00 0.00 C ATOM 561 C GLU A 60 -8.842 -23.552 -21.477 1.00 0.00 C ATOM 562 O GLU A 60 -8.510 -23.644 -20.292 1.00 0.00 O ATOM 563 CB GLU A 60 -6.761 -22.672 -22.643 1.00 0.00 C ATOM 564 CG GLU A 60 -7.348 -21.274 -22.931 1.00 0.00 C ATOM 565 CD GLU A 60 -6.336 -20.135 -22.732 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.328 -20.086 -23.461 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.548 -19.274 -21.856 1.00 0.00 O ATOM 0 H GLU A 60 -8.221 -23.259 -24.609 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.312 -24.760 -22.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.239 -22.643 -21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.017 -22.904 -23.405 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.717 -21.247 -23.956 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.205 -21.107 -22.279 1.00 0.00 H new ATOM 574 N GLU A 61 -10.090 -23.223 -21.866 1.00 0.00 N ATOM 575 CA GLU A 61 -11.178 -22.890 -20.935 1.00 0.00 C ATOM 576 C GLU A 61 -11.990 -24.147 -20.595 1.00 0.00 C ATOM 577 O GLU A 61 -11.938 -24.643 -19.472 1.00 0.00 O ATOM 578 CB GLU A 61 -12.082 -21.803 -21.575 1.00 0.00 C ATOM 579 CG GLU A 61 -11.309 -20.576 -22.086 1.00 0.00 C ATOM 580 CD GLU A 61 -10.664 -19.724 -20.974 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.560 -20.064 -20.489 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.263 -18.702 -20.580 1.00 0.00 O ATOM 0 H GLU A 61 -10.370 -23.182 -22.846 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.759 -22.501 -20.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.634 -22.245 -22.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.818 -21.477 -20.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.529 -20.911 -22.769 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.988 -19.947 -22.662 1.00 0.00 H new ATOM 589 N CYS A 62 -12.709 -24.690 -21.599 1.00 0.00 N ATOM 590 CA CYS A 62 -13.698 -25.762 -21.372 1.00 0.00 C ATOM 591 C CYS A 62 -13.286 -27.097 -22.028 1.00 0.00 C ATOM 592 O CYS A 62 -14.111 -28.008 -22.144 1.00 0.00 O ATOM 593 CB CYS A 62 -15.090 -25.301 -21.867 1.00 0.00 C ATOM 594 SG CYS A 62 -15.298 -25.190 -23.677 1.00 0.00 S ATOM 0 H CYS A 62 -12.623 -24.403 -22.574 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.743 -25.952 -20.300 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.839 -25.990 -21.477 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.301 -24.322 -21.436 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.245 -24.637 -24.202 1.00 0.00 H new ATOM 599 N GLY A 63 -11.997 -27.204 -22.432 1.00 0.00 N ATOM 600 CA GLY A 63 -11.432 -28.420 -23.069 1.00 0.00 C ATOM 601 C GLY A 63 -12.165 -28.900 -24.320 1.00 0.00 C ATOM 602 O GLY A 63 -12.000 -30.045 -24.733 1.00 0.00 O ATOM 0 H GLY A 63 -11.319 -26.450 -22.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.392 -28.224 -23.330 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.430 -29.227 -22.336 1.00 0.00 H new ATOM 606 N ALA A 64 -12.955 -28.002 -24.923 1.00 0.00 N ATOM 607 CA ALA A 64 -13.796 -28.316 -26.090 1.00 0.00 C ATOM 608 C ALA A 64 -12.937 -28.502 -27.361 1.00 0.00 C ATOM 609 O ALA A 64 -11.909 -27.812 -27.504 1.00 0.00 O ATOM 610 CB ALA A 64 -14.830 -27.203 -26.294 1.00 0.00 C ATOM 0 H ALA A 64 -13.030 -27.032 -24.615 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.315 -29.256 -25.903 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.451 -27.438 -27.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.458 -27.123 -25.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.317 -26.256 -26.462 1.00 0.00 H new ATOM 616 N PRO A 65 -13.355 -29.411 -28.307 1.00 0.00 N ATOM 617 CA PRO A 65 -12.588 -29.700 -29.539 1.00 0.00 C ATOM 618 C PRO A 65 -12.449 -28.440 -30.419 1.00 0.00 C ATOM 619 O PRO A 65 -13.444 -27.928 -30.946 1.00 0.00 O ATOM 620 CB PRO A 65 -13.425 -30.808 -30.241 1.00 0.00 C ATOM 621 CG PRO A 65 -14.807 -30.646 -29.688 1.00 0.00 C ATOM 622 CD PRO A 65 -14.612 -30.210 -28.255 1.00 0.00 C ATOM 0 HA PRO A 65 -11.565 -30.017 -29.339 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.415 -30.686 -31.324 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.027 -31.800 -30.028 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.372 -29.904 -30.252 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.365 -31.581 -29.743 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.452 -29.615 -27.898 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.518 -31.064 -27.584 1.00 0.00 H new ATOM 630 N ILE A 66 -11.217 -27.914 -30.494 1.00 0.00 N ATOM 631 CA ILE A 66 -10.879 -26.772 -31.353 1.00 0.00 C ATOM 632 C ILE A 66 -11.017 -27.188 -32.830 1.00 0.00 C ATOM 633 O ILE A 66 -10.266 -28.072 -33.278 1.00 0.00 O ATOM 634 CB ILE A 66 -9.414 -26.268 -31.076 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.248 -25.842 -29.593 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.018 -25.110 -32.030 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.793 -24.488 -29.255 1.00 0.00 C ATOM 0 H ILE A 66 -10.426 -28.271 -29.958 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.565 -25.955 -31.131 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.738 -27.100 -31.272 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.739 -26.582 -28.962 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.188 -25.863 -29.342 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.000 -24.788 -31.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.073 -25.454 -33.063 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.702 -24.273 -31.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.629 -24.283 -28.197 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.286 -23.732 -29.854 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.862 -24.463 -29.468 1.00 0.00 H new ATOM 649 N PRO A 67 -11.982 -26.596 -33.605 1.00 0.00 N ATOM 650 CA PRO A 67 -12.117 -26.897 -35.043 1.00 0.00 C ATOM 651 C PRO A 67 -10.913 -26.339 -35.824 1.00 0.00 C ATOM 652 O PRO A 67 -10.377 -25.273 -35.471 1.00 0.00 O ATOM 653 CB PRO A 67 -13.449 -26.204 -35.441 1.00 0.00 C ATOM 654 CG PRO A 67 -13.607 -25.093 -34.449 1.00 0.00 C ATOM 655 CD PRO A 67 -13.002 -25.603 -33.155 1.00 0.00 C ATOM 0 HA PRO A 67 -12.134 -27.964 -35.266 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.408 -25.822 -36.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.287 -26.899 -35.395 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.099 -24.191 -34.789 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.658 -24.836 -34.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.548 -24.796 -32.580 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.755 -26.065 -32.516 1.00 0.00 H new ATOM 663 N GLN A 68 -10.505 -27.061 -36.884 1.00 0.00 N ATOM 664 CA GLN A 68 -9.372 -26.664 -37.736 1.00 0.00 C ATOM 665 C GLN A 68 -9.652 -25.301 -38.414 1.00 0.00 C ATOM 666 O GLN A 68 -8.720 -24.613 -38.830 1.00 0.00 O ATOM 667 CB GLN A 68 -9.052 -27.774 -38.790 1.00 0.00 C ATOM 668 CG GLN A 68 -10.063 -27.908 -39.973 1.00 0.00 C ATOM 669 CD GLN A 68 -9.603 -27.289 -41.319 1.00 0.00 C ATOM 670 OE1 GLN A 68 -8.704 -26.299 -41.287 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.040 -27.722 -42.387 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.950 -27.932 -37.172 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.490 -26.547 -37.106 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.063 -27.579 -39.204 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.998 -28.733 -38.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.271 -28.966 -40.132 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.002 -27.439 -39.680 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.725 -28.478 -42.389 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.716 -27.325 -43.269 1.00 0.00 H new ATOM 680 N ALA A 69 -10.960 -24.941 -38.489 1.00 0.00 N ATOM 681 CA ALA A 69 -11.440 -23.657 -39.008 1.00 0.00 C ATOM 682 C ALA A 69 -10.834 -22.504 -38.197 1.00 0.00 C ATOM 683 O ALA A 69 -10.292 -21.563 -38.752 1.00 0.00 O ATOM 684 CB ALA A 69 -12.983 -23.607 -38.955 1.00 0.00 C ATOM 0 H ALA A 69 -11.715 -25.554 -38.182 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.127 -23.553 -40.047 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.330 -22.649 -39.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.394 -24.414 -39.561 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.316 -23.723 -37.923 1.00 0.00 H new ATOM 690 N ARG A 70 -10.911 -22.624 -36.870 1.00 0.00 N ATOM 691 CA ARG A 70 -10.367 -21.624 -35.932 1.00 0.00 C ATOM 692 C ARG A 70 -8.833 -21.650 -35.911 1.00 0.00 C ATOM 693 O ARG A 70 -8.198 -20.631 -35.649 1.00 0.00 O ATOM 694 CB ARG A 70 -10.975 -21.819 -34.517 1.00 0.00 C ATOM 695 CG ARG A 70 -12.494 -21.536 -34.486 1.00 0.00 C ATOM 696 CD ARG A 70 -12.826 -20.060 -34.803 1.00 0.00 C ATOM 697 NE ARG A 70 -14.234 -19.874 -35.216 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.693 -19.964 -36.488 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.871 -20.279 -37.493 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.977 -19.745 -36.745 1.00 0.00 N ATOM 0 H ARG A 70 -11.353 -23.419 -36.408 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.656 -20.633 -36.281 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.791 -22.840 -34.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.470 -21.157 -33.813 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.996 -22.181 -35.207 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.888 -21.791 -33.502 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.625 -19.448 -33.924 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.168 -19.705 -35.596 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.913 -19.661 -34.486 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.884 -20.455 -37.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.231 -20.343 -38.445 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.616 -19.509 -35.986 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.324 -19.812 -37.702 1.00 0.00 H new ATOM 714 N ARG A 71 -8.249 -22.832 -36.181 1.00 0.00 N ATOM 715 CA ARG A 71 -6.782 -23.012 -36.206 1.00 0.00 C ATOM 716 C ARG A 71 -6.138 -22.309 -37.419 1.00 0.00 C ATOM 717 O ARG A 71 -5.030 -21.764 -37.306 1.00 0.00 O ATOM 718 CB ARG A 71 -6.416 -24.522 -36.170 1.00 0.00 C ATOM 719 CG ARG A 71 -7.034 -25.275 -34.965 1.00 0.00 C ATOM 720 CD ARG A 71 -6.371 -26.628 -34.654 1.00 0.00 C ATOM 721 NE ARG A 71 -6.350 -27.540 -35.814 1.00 0.00 N ATOM 722 CZ ARG A 71 -6.700 -28.837 -35.792 1.00 0.00 C ATOM 723 NH1 ARG A 71 -7.251 -29.374 -34.710 1.00 0.00 N ATOM 724 NH2 ARG A 71 -6.514 -29.579 -36.871 1.00 0.00 N ATOM 0 H ARG A 71 -8.773 -23.683 -36.386 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.375 -22.540 -35.312 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.752 -24.992 -37.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.331 -24.625 -36.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.967 -24.640 -34.082 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.094 -25.440 -35.160 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.349 -26.456 -34.315 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.903 -27.107 -33.832 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.044 -27.153 -36.707 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.413 -28.801 -33.882 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.512 -30.360 -34.707 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.108 -29.166 -37.710 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.777 -30.565 -36.864 1.00 0.00 H new ATOM 738 N GLU A 72 -6.832 -22.314 -38.578 1.00 0.00 N ATOM 739 CA GLU A 72 -6.332 -21.639 -39.798 1.00 0.00 C ATOM 740 C GLU A 72 -6.764 -20.161 -39.839 1.00 0.00 C ATOM 741 O GLU A 72 -6.041 -19.315 -40.375 1.00 0.00 O ATOM 742 CB GLU A 72 -6.743 -22.430 -41.083 1.00 0.00 C ATOM 743 CG GLU A 72 -8.258 -22.613 -41.349 1.00 0.00 C ATOM 744 CD GLU A 72 -8.949 -21.400 -42.008 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.444 -20.896 -43.034 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.008 -20.957 -41.520 1.00 0.00 O ATOM 0 H GLU A 72 -7.734 -22.775 -38.695 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.242 -21.637 -39.768 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.308 -21.924 -41.945 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.288 -23.419 -41.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.398 -23.485 -41.988 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.756 -22.828 -40.403 1.00 0.00 H new ATOM 753 N ALA A 73 -7.947 -19.860 -39.269 1.00 0.00 N ATOM 754 CA ALA A 73 -8.465 -18.474 -39.164 1.00 0.00 C ATOM 755 C ALA A 73 -7.613 -17.650 -38.191 1.00 0.00 C ATOM 756 O ALA A 73 -7.332 -16.468 -38.426 1.00 0.00 O ATOM 757 CB ALA A 73 -9.939 -18.474 -38.709 1.00 0.00 C ATOM 0 H ALA A 73 -8.570 -20.562 -38.870 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.407 -18.017 -40.152 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.298 -17.447 -38.639 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.543 -19.021 -39.433 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.019 -18.954 -37.733 1.00 0.00 H new ATOM 763 N ILE A 74 -7.207 -18.304 -37.088 1.00 0.00 N ATOM 764 CA ILE A 74 -6.462 -17.670 -35.994 1.00 0.00 C ATOM 765 C ILE A 74 -5.151 -18.452 -35.771 1.00 0.00 C ATOM 766 O ILE A 74 -5.182 -19.554 -35.195 1.00 0.00 O ATOM 767 CB ILE A 74 -7.312 -17.651 -34.664 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.765 -17.144 -34.945 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.614 -16.807 -33.562 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.722 -17.290 -33.785 1.00 0.00 C ATOM 0 H ILE A 74 -7.390 -19.295 -36.933 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.243 -16.637 -36.263 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.382 -18.673 -34.290 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.719 -16.093 -35.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.166 -17.689 -35.800 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.224 -16.813 -32.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.635 -17.233 -33.342 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.493 -15.782 -33.911 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.703 -16.913 -34.073 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.804 -18.342 -33.511 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.350 -16.721 -32.933 1.00 0.00 H new ATOM 782 N PRO A 75 -3.983 -17.925 -36.269 1.00 0.00 N ATOM 783 CA PRO A 75 -2.661 -18.517 -35.982 1.00 0.00 C ATOM 784 C PRO A 75 -2.365 -18.466 -34.464 1.00 0.00 C ATOM 785 O PRO A 75 -2.215 -17.382 -33.882 1.00 0.00 O ATOM 786 CB PRO A 75 -1.673 -17.647 -36.816 1.00 0.00 C ATOM 787 CG PRO A 75 -2.405 -16.360 -37.053 1.00 0.00 C ATOM 788 CD PRO A 75 -3.868 -16.733 -37.153 1.00 0.00 C ATOM 0 HA PRO A 75 -2.587 -19.571 -36.249 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.741 -17.479 -36.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.413 -18.134 -37.756 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.235 -15.657 -36.237 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.061 -15.877 -37.967 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.513 -15.921 -36.818 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.154 -16.965 -38.179 1.00 0.00 H new ATOM 796 N GLY A 76 -2.356 -19.650 -33.832 1.00 0.00 N ATOM 797 CA GLY A 76 -2.153 -19.764 -32.386 1.00 0.00 C ATOM 798 C GLY A 76 -3.442 -19.566 -31.590 1.00 0.00 C ATOM 799 O GLY A 76 -3.437 -18.885 -30.552 1.00 0.00 O ATOM 0 H GLY A 76 -2.488 -20.544 -34.306 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.738 -20.746 -32.158 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.418 -19.025 -32.068 1.00 0.00 H new ATOM 803 N VAL A 77 -4.556 -20.162 -32.077 1.00 0.00 N ATOM 804 CA VAL A 77 -5.853 -20.112 -31.373 1.00 0.00 C ATOM 805 C VAL A 77 -5.785 -20.950 -30.084 1.00 0.00 C ATOM 806 O VAL A 77 -5.130 -21.998 -30.049 1.00 0.00 O ATOM 807 CB VAL A 77 -7.058 -20.598 -32.274 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.945 -22.091 -32.638 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.424 -20.290 -31.608 1.00 0.00 C ATOM 0 H VAL A 77 -4.579 -20.682 -32.954 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.042 -19.067 -31.126 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.002 -20.033 -33.205 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.794 -22.380 -33.257 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.020 -22.262 -33.188 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.941 -22.688 -31.726 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.230 -20.637 -32.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.484 -20.801 -30.647 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.520 -19.215 -31.454 1.00 0.00 H new ATOM 819 N ARG A 78 -6.451 -20.465 -29.031 1.00 0.00 N ATOM 820 CA ARG A 78 -6.461 -21.108 -27.702 1.00 0.00 C ATOM 821 C ARG A 78 -7.890 -21.230 -27.132 1.00 0.00 C ATOM 822 O ARG A 78 -8.093 -21.759 -26.036 1.00 0.00 O ATOM 823 CB ARG A 78 -5.450 -20.392 -26.736 1.00 0.00 C ATOM 824 CG ARG A 78 -5.154 -18.899 -27.036 1.00 0.00 C ATOM 825 CD ARG A 78 -6.309 -17.956 -26.679 1.00 0.00 C ATOM 826 NE ARG A 78 -6.469 -17.814 -25.216 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.897 -16.718 -24.576 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.227 -15.621 -25.247 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.975 -16.720 -23.258 1.00 0.00 N ATOM 0 H ARG A 78 -7.004 -19.609 -29.072 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.112 -22.135 -27.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.836 -20.467 -25.720 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.508 -20.939 -26.760 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.265 -18.596 -26.482 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.922 -18.790 -28.095 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.129 -16.976 -27.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.235 -18.336 -27.111 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.232 -18.624 -24.642 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.156 -15.605 -26.264 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.551 -14.794 -24.745 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.710 -17.553 -22.733 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.300 -15.888 -22.765 1.00 0.00 H new ATOM 843 N LEU A 79 -8.891 -20.812 -27.928 1.00 0.00 N ATOM 844 CA LEU A 79 -10.314 -20.811 -27.523 1.00 0.00 C ATOM 845 C LEU A 79 -11.166 -21.505 -28.596 1.00 0.00 C ATOM 846 O LEU A 79 -10.969 -21.259 -29.791 1.00 0.00 O ATOM 847 CB LEU A 79 -10.805 -19.351 -27.313 1.00 0.00 C ATOM 848 CG LEU A 79 -9.995 -18.519 -26.281 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.403 -17.030 -26.298 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.124 -19.123 -24.881 1.00 0.00 C ATOM 0 H LEU A 79 -8.738 -20.464 -28.874 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.416 -21.356 -26.585 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.778 -18.835 -28.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.847 -19.378 -26.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.945 -18.560 -26.570 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.814 -16.483 -25.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.222 -16.615 -27.289 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.462 -16.940 -26.054 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.550 -18.526 -24.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.172 -19.130 -24.583 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.742 -20.144 -24.889 1.00 0.00 H new ATOM 862 N CYS A 80 -12.100 -22.389 -28.164 1.00 0.00 N ATOM 863 CA CYS A 80 -13.031 -23.094 -29.088 1.00 0.00 C ATOM 864 C CYS A 80 -13.965 -22.084 -29.736 1.00 0.00 C ATOM 865 O CYS A 80 -14.097 -20.983 -29.218 1.00 0.00 O ATOM 866 CB CYS A 80 -13.837 -24.183 -28.343 1.00 0.00 C ATOM 867 SG CYS A 80 -15.051 -23.542 -27.149 1.00 0.00 S ATOM 0 H CYS A 80 -12.230 -22.632 -27.182 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.446 -23.590 -29.863 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.358 -24.797 -29.077 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.141 -24.837 -27.818 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.965 -24.214 -26.039 1.00 0.00 H new ATOM 872 N ILE A 81 -14.643 -22.481 -30.830 1.00 0.00 N ATOM 873 CA ILE A 81 -15.482 -21.572 -31.649 1.00 0.00 C ATOM 874 C ILE A 81 -16.504 -20.785 -30.782 1.00 0.00 C ATOM 875 O ILE A 81 -16.851 -19.648 -31.096 1.00 0.00 O ATOM 876 CB ILE A 81 -16.212 -22.385 -32.794 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.048 -21.456 -33.732 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.086 -23.530 -32.220 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.690 -22.165 -34.921 1.00 0.00 C ATOM 0 H ILE A 81 -14.627 -23.441 -31.175 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.824 -20.835 -32.109 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.429 -22.840 -33.400 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.832 -20.979 -33.144 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.401 -20.662 -34.105 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.570 -24.064 -33.038 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.457 -24.221 -31.658 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.846 -23.112 -31.560 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.250 -21.443 -35.516 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.913 -22.619 -35.537 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.366 -22.940 -34.561 1.00 0.00 H new ATOM 891 N HIS A 82 -16.887 -21.390 -29.645 1.00 0.00 N ATOM 892 CA HIS A 82 -17.810 -20.799 -28.660 1.00 0.00 C ATOM 893 C HIS A 82 -17.095 -19.739 -27.780 1.00 0.00 C ATOM 894 O HIS A 82 -17.447 -18.555 -27.844 1.00 0.00 O ATOM 895 CB HIS A 82 -18.430 -21.926 -27.792 1.00 0.00 C ATOM 896 CG HIS A 82 -19.023 -23.034 -28.608 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.306 -23.002 -29.099 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.475 -24.182 -29.063 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.522 -24.085 -29.817 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.425 -24.812 -29.813 1.00 0.00 N ATOM 0 H HIS A 82 -16.559 -22.319 -29.380 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.609 -20.283 -29.192 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.662 -22.336 -27.136 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.202 -21.500 -27.151 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.473 -24.535 -28.869 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.443 -24.334 -30.323 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.304 -25.704 -30.294 1.00 0.00 H new ATOM 909 N CYS A 83 -16.050 -20.148 -27.001 1.00 0.00 N ATOM 910 CA CYS A 83 -15.323 -19.212 -26.091 1.00 0.00 C ATOM 911 C CYS A 83 -14.559 -18.137 -26.891 1.00 0.00 C ATOM 912 O CYS A 83 -14.167 -17.125 -26.325 1.00 0.00 O ATOM 913 CB CYS A 83 -14.318 -19.936 -25.147 1.00 0.00 C ATOM 914 SG CYS A 83 -15.004 -21.288 -24.140 1.00 0.00 S ATOM 0 H CYS A 83 -15.697 -21.105 -26.985 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.094 -18.747 -25.476 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.505 -20.337 -25.753 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.881 -19.196 -24.477 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.182 -22.338 -24.886 1.00 0.00 H new ATOM 919 N GLN A 84 -14.320 -18.371 -28.192 1.00 0.00 N ATOM 920 CA GLN A 84 -13.591 -17.421 -29.035 1.00 0.00 C ATOM 921 C GLN A 84 -14.545 -16.327 -29.553 1.00 0.00 C ATOM 922 O GLN A 84 -14.214 -15.161 -29.452 1.00 0.00 O ATOM 923 CB GLN A 84 -12.856 -18.142 -30.212 1.00 0.00 C ATOM 924 CG GLN A 84 -11.501 -17.514 -30.635 1.00 0.00 C ATOM 925 CD GLN A 84 -11.558 -16.002 -30.903 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.822 -15.553 -32.016 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.302 -15.202 -29.872 1.00 0.00 N ATOM 0 H GLN A 84 -14.624 -19.214 -28.680 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.823 -16.946 -28.425 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.683 -19.180 -29.928 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.518 -18.154 -31.078 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.766 -17.705 -29.853 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.146 -18.017 -31.535 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.086 -15.601 -28.958 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.322 -14.190 -29.995 1.00 0.00 H new