USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=8 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= 0.108 USER MOD Set 1.2: A 62 CYS SG : rot -45:sc= -2.55! USER MOD Set 1.3: A 80 CYS SG : rot -127:sc= 0.502 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0718 X(o=-1.8,f=-1.8) USER MOD Set 1.5: A 83 CYS SG : rot 82:sc= 0.193 USER MOD Single : A 38 THR OG1 : rot 23:sc= 0.209 USER MOD Single : A 55 SER OG : rot -166:sc= 0.655 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0102 F(o=-1.1,f=-0.01) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.121 F(o=-2.1!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 1.365 -26.941 -16.765 1.00 0.00 N ATOM 235 CA THR A 38 2.676 -27.173 -16.116 1.00 0.00 C ATOM 236 C THR A 38 3.513 -28.255 -16.853 1.00 0.00 C ATOM 237 O THR A 38 4.753 -28.253 -16.782 1.00 0.00 O ATOM 238 CB THR A 38 2.487 -27.554 -14.619 1.00 0.00 C ATOM 239 OG1 THR A 38 1.591 -26.617 -13.995 1.00 0.00 O ATOM 240 CG2 THR A 38 3.820 -27.566 -13.853 1.00 0.00 C ATOM 0 HA THR A 38 3.234 -26.238 -16.175 1.00 0.00 H new ATOM 0 HB THR A 38 2.072 -28.561 -14.585 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.033 -26.192 -14.680 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.639 -27.837 -12.813 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.493 -28.294 -14.306 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.274 -26.576 -13.896 1.00 0.00 H new ATOM 248 N ILE A 39 2.817 -29.134 -17.598 1.00 0.00 N ATOM 249 CA ILE A 39 3.447 -30.201 -18.401 1.00 0.00 C ATOM 250 C ILE A 39 4.286 -29.581 -19.546 1.00 0.00 C ATOM 251 O ILE A 39 5.388 -30.070 -19.858 1.00 0.00 O ATOM 252 CB ILE A 39 2.377 -31.204 -18.991 1.00 0.00 C ATOM 253 CG1 ILE A 39 1.429 -31.737 -17.864 1.00 0.00 C ATOM 254 CG2 ILE A 39 3.047 -32.375 -19.772 1.00 0.00 C ATOM 255 CD1 ILE A 39 2.128 -32.398 -16.692 1.00 0.00 C ATOM 0 H ILE A 39 1.799 -29.125 -17.661 1.00 0.00 H new ATOM 0 HA ILE A 39 4.101 -30.769 -17.739 1.00 0.00 H new ATOM 0 HB ILE A 39 1.770 -30.651 -19.708 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.833 -30.905 -17.489 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.735 -32.453 -18.304 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.277 -33.041 -20.161 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.631 -31.973 -20.600 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.703 -32.931 -19.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.386 -32.732 -15.967 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.701 -33.255 -17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.801 -31.682 -16.219 1.00 0.00 H new ATOM 267 N GLU A 40 3.778 -28.467 -20.121 1.00 0.00 N ATOM 268 CA GLU A 40 4.454 -27.772 -21.232 1.00 0.00 C ATOM 269 C GLU A 40 5.718 -27.066 -20.700 1.00 0.00 C ATOM 270 O GLU A 40 6.771 -27.117 -21.323 1.00 0.00 O ATOM 271 CB GLU A 40 3.515 -26.750 -21.973 1.00 0.00 C ATOM 272 CG GLU A 40 3.444 -25.331 -21.366 1.00 0.00 C ATOM 273 CD GLU A 40 2.687 -24.324 -22.229 1.00 0.00 C ATOM 274 OE1 GLU A 40 3.272 -23.850 -23.218 1.00 0.00 O ATOM 275 OE2 GLU A 40 1.522 -24.000 -21.919 1.00 0.00 O ATOM 0 H GLU A 40 2.902 -28.033 -19.831 1.00 0.00 H new ATOM 0 HA GLU A 40 4.732 -28.522 -21.972 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.849 -26.665 -23.007 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.507 -27.164 -21.996 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.965 -25.389 -20.388 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.458 -24.965 -21.203 1.00 0.00 H new ATOM 282 N ASP A 41 5.592 -26.458 -19.504 1.00 0.00 N ATOM 283 CA ASP A 41 6.670 -25.662 -18.881 1.00 0.00 C ATOM 284 C ASP A 41 7.865 -26.553 -18.535 1.00 0.00 C ATOM 285 O ASP A 41 9.017 -26.166 -18.750 1.00 0.00 O ATOM 286 CB ASP A 41 6.146 -24.945 -17.611 1.00 0.00 C ATOM 287 CG ASP A 41 5.007 -23.959 -17.916 1.00 0.00 C ATOM 288 OD1 ASP A 41 5.250 -22.975 -18.641 1.00 0.00 O ATOM 289 OD2 ASP A 41 3.867 -24.166 -17.449 1.00 0.00 O ATOM 0 H ASP A 41 4.742 -26.504 -18.943 1.00 0.00 H new ATOM 0 HA ASP A 41 6.998 -24.908 -19.596 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.795 -25.690 -16.897 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.968 -24.409 -17.136 1.00 0.00 H new ATOM 294 N ALA A 42 7.542 -27.760 -18.041 1.00 0.00 N ATOM 295 CA ALA A 42 8.525 -28.800 -17.700 1.00 0.00 C ATOM 296 C ALA A 42 9.355 -29.204 -18.942 1.00 0.00 C ATOM 297 O ALA A 42 10.581 -29.089 -18.941 1.00 0.00 O ATOM 298 CB ALA A 42 7.801 -30.020 -17.093 1.00 0.00 C ATOM 0 H ALA A 42 6.578 -28.044 -17.865 1.00 0.00 H new ATOM 0 HA ALA A 42 9.219 -28.402 -16.960 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.532 -30.789 -16.841 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.269 -29.716 -16.191 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.090 -30.418 -17.817 1.00 0.00 H new ATOM 304 N ILE A 43 8.652 -29.598 -20.021 1.00 0.00 N ATOM 305 CA ILE A 43 9.278 -30.109 -21.265 1.00 0.00 C ATOM 306 C ILE A 43 10.001 -28.981 -22.052 1.00 0.00 C ATOM 307 O ILE A 43 11.019 -29.230 -22.720 1.00 0.00 O ATOM 308 CB ILE A 43 8.203 -30.833 -22.177 1.00 0.00 C ATOM 309 CG1 ILE A 43 7.533 -32.032 -21.424 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.802 -31.306 -23.528 1.00 0.00 C ATOM 311 CD1 ILE A 43 8.480 -33.164 -21.053 1.00 0.00 C ATOM 0 H ILE A 43 7.633 -29.573 -20.059 1.00 0.00 H new ATOM 0 HA ILE A 43 10.034 -30.839 -20.975 1.00 0.00 H new ATOM 0 HB ILE A 43 7.435 -30.093 -22.401 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.066 -31.655 -20.514 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.736 -32.435 -22.049 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.027 -31.796 -24.118 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.186 -30.446 -24.077 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.614 -32.009 -23.340 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.926 -33.947 -20.536 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.929 -33.574 -21.958 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.264 -32.783 -20.399 1.00 0.00 H new ATOM 323 N ALA A 44 9.500 -27.735 -21.933 1.00 0.00 N ATOM 324 CA ALA A 44 10.051 -26.579 -22.670 1.00 0.00 C ATOM 325 C ALA A 44 11.440 -26.193 -22.143 1.00 0.00 C ATOM 326 O ALA A 44 12.368 -25.966 -22.927 1.00 0.00 O ATOM 327 CB ALA A 44 9.095 -25.389 -22.591 1.00 0.00 C ATOM 0 H ALA A 44 8.711 -27.503 -21.330 1.00 0.00 H new ATOM 0 HA ALA A 44 10.160 -26.869 -23.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.517 -24.547 -23.139 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.135 -25.663 -23.029 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.950 -25.107 -21.548 1.00 0.00 H new ATOM 333 N ARG A 45 11.585 -26.145 -20.806 1.00 0.00 N ATOM 334 CA ARG A 45 12.881 -25.834 -20.167 1.00 0.00 C ATOM 335 C ARG A 45 13.784 -27.079 -20.097 1.00 0.00 C ATOM 336 O ARG A 45 15.002 -26.954 -19.926 1.00 0.00 O ATOM 337 CB ARG A 45 12.666 -25.204 -18.764 1.00 0.00 C ATOM 338 CG ARG A 45 11.999 -26.119 -17.719 1.00 0.00 C ATOM 339 CD ARG A 45 11.668 -25.373 -16.416 1.00 0.00 C ATOM 340 NE ARG A 45 11.013 -26.242 -15.413 1.00 0.00 N ATOM 341 CZ ARG A 45 10.380 -25.808 -14.310 1.00 0.00 C ATOM 342 NH1 ARG A 45 10.231 -24.504 -14.084 1.00 0.00 N ATOM 343 NH2 ARG A 45 9.875 -26.690 -13.454 1.00 0.00 N ATOM 0 H ARG A 45 10.825 -26.317 -20.148 1.00 0.00 H new ATOM 0 HA ARG A 45 13.395 -25.099 -20.786 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.634 -24.885 -18.377 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.057 -24.307 -18.877 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.084 -26.538 -18.138 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.661 -26.956 -17.498 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.585 -24.964 -15.993 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.016 -24.529 -16.641 1.00 0.00 H new ATOM 0 HE ARG A 45 11.045 -27.249 -15.571 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.599 -23.826 -14.751 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.749 -24.184 -13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.969 -27.689 -13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.393 -26.368 -12.615 1.00 0.00 H new ATOM 357 N ALA A 46 13.182 -28.276 -20.253 1.00 0.00 N ATOM 358 CA ALA A 46 13.924 -29.549 -20.235 1.00 0.00 C ATOM 359 C ALA A 46 14.730 -29.751 -21.530 1.00 0.00 C ATOM 360 O ALA A 46 15.932 -30.018 -21.480 1.00 0.00 O ATOM 361 CB ALA A 46 12.970 -30.728 -20.022 1.00 0.00 C ATOM 0 H ALA A 46 12.178 -28.385 -20.394 1.00 0.00 H new ATOM 0 HA ALA A 46 14.626 -29.506 -19.402 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.538 -31.658 -20.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.451 -30.609 -19.071 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.241 -30.757 -20.832 1.00 0.00 H new ATOM 367 N ARG A 47 14.064 -29.611 -22.698 1.00 0.00 N ATOM 368 CA ARG A 47 14.684 -29.939 -24.008 1.00 0.00 C ATOM 369 C ARG A 47 14.396 -28.867 -25.076 1.00 0.00 C ATOM 370 O ARG A 47 15.103 -28.796 -26.086 1.00 0.00 O ATOM 371 CB ARG A 47 14.192 -31.331 -24.495 1.00 0.00 C ATOM 372 CG ARG A 47 12.739 -31.358 -25.004 1.00 0.00 C ATOM 373 CD ARG A 47 12.254 -32.769 -25.385 1.00 0.00 C ATOM 374 NE ARG A 47 11.949 -33.585 -24.198 1.00 0.00 N ATOM 375 CZ ARG A 47 11.020 -34.547 -24.137 1.00 0.00 C ATOM 376 NH1 ARG A 47 10.288 -34.870 -25.194 1.00 0.00 N ATOM 377 NH2 ARG A 47 10.823 -35.188 -23.008 1.00 0.00 N ATOM 0 H ARG A 47 13.103 -29.275 -22.764 1.00 0.00 H new ATOM 0 HA ARG A 47 15.764 -29.964 -23.861 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.849 -31.674 -25.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.289 -32.043 -23.675 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.084 -30.952 -24.234 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.653 -30.705 -25.872 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.364 -32.690 -26.010 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.019 -33.267 -25.981 1.00 0.00 H new ATOM 0 HE ARG A 47 12.490 -33.402 -23.353 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.427 -34.382 -26.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.586 -35.607 -25.122 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.376 -34.952 -22.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.117 -35.922 -22.955 1.00 0.00 H new ATOM 391 N GLY A 48 13.363 -28.039 -24.853 1.00 0.00 N ATOM 392 CA GLY A 48 12.941 -27.032 -25.839 1.00 0.00 C ATOM 393 C GLY A 48 12.131 -27.626 -26.981 1.00 0.00 C ATOM 394 O GLY A 48 12.389 -27.347 -28.158 1.00 0.00 O ATOM 0 H GLY A 48 12.805 -28.047 -23.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.347 -26.267 -25.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.823 -26.536 -26.245 1.00 0.00 H new ATOM 398 N GLU A 49 11.147 -28.454 -26.619 1.00 0.00 N ATOM 399 CA GLU A 49 10.257 -29.145 -27.572 1.00 0.00 C ATOM 400 C GLU A 49 9.013 -28.313 -27.871 1.00 0.00 C ATOM 401 O GLU A 49 8.605 -28.178 -29.031 1.00 0.00 O ATOM 402 CB GLU A 49 9.835 -30.504 -26.972 1.00 0.00 C ATOM 403 CG GLU A 49 8.824 -31.321 -27.806 1.00 0.00 C ATOM 404 CD GLU A 49 8.669 -32.767 -27.309 1.00 0.00 C ATOM 405 OE1 GLU A 49 9.515 -33.617 -27.675 1.00 0.00 O ATOM 406 OE2 GLU A 49 7.726 -33.057 -26.539 1.00 0.00 O ATOM 0 H GLU A 49 10.939 -28.670 -25.644 1.00 0.00 H new ATOM 0 HA GLU A 49 10.798 -29.294 -28.507 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.730 -31.109 -26.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.405 -30.327 -25.986 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.853 -30.826 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.145 -31.333 -28.848 1.00 0.00 H new ATOM 413 N ILE A 50 8.428 -27.781 -26.789 1.00 0.00 N ATOM 414 CA ILE A 50 7.132 -27.100 -26.807 1.00 0.00 C ATOM 415 C ILE A 50 7.141 -25.918 -27.798 1.00 0.00 C ATOM 416 O ILE A 50 8.071 -25.101 -27.763 1.00 0.00 O ATOM 417 CB ILE A 50 6.756 -26.623 -25.356 1.00 0.00 C ATOM 418 CG1 ILE A 50 6.723 -27.846 -24.381 1.00 0.00 C ATOM 419 CG2 ILE A 50 5.420 -25.842 -25.325 1.00 0.00 C ATOM 420 CD1 ILE A 50 5.728 -28.937 -24.744 1.00 0.00 C ATOM 0 H ILE A 50 8.852 -27.814 -25.862 1.00 0.00 H new ATOM 0 HA ILE A 50 6.373 -27.804 -27.147 1.00 0.00 H new ATOM 0 HB ILE A 50 7.527 -25.929 -25.022 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.720 -28.285 -24.340 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.492 -27.485 -23.379 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.203 -25.533 -24.302 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.499 -24.960 -25.961 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.616 -26.481 -25.690 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.782 -29.739 -24.008 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.720 -28.522 -24.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.967 -29.334 -25.731 1.00 0.00 H new ATOM 492 N SER A 55 -1.894 -22.251 -32.484 1.00 0.00 N ATOM 493 CA SER A 55 -3.125 -23.038 -32.685 1.00 0.00 C ATOM 494 C SER A 55 -3.056 -24.461 -32.084 1.00 0.00 C ATOM 495 O SER A 55 -2.342 -25.339 -32.580 1.00 0.00 O ATOM 496 CB SER A 55 -3.452 -23.097 -34.188 1.00 0.00 C ATOM 497 OG SER A 55 -3.665 -21.786 -34.697 1.00 0.00 O ATOM 0 HA SER A 55 -3.923 -22.529 -32.145 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.634 -23.576 -34.727 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.341 -23.707 -34.350 1.00 0.00 H new ATOM 0 HG SER A 55 -4.078 -21.843 -35.584 1.00 0.00 H new ATOM 503 N LEU A 56 -3.801 -24.638 -30.984 1.00 0.00 N ATOM 504 CA LEU A 56 -3.911 -25.918 -30.246 1.00 0.00 C ATOM 505 C LEU A 56 -5.151 -26.714 -30.723 1.00 0.00 C ATOM 506 O LEU A 56 -5.870 -26.259 -31.619 1.00 0.00 O ATOM 507 CB LEU A 56 -3.936 -25.625 -28.702 1.00 0.00 C ATOM 508 CG LEU A 56 -4.757 -24.374 -28.223 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.262 -24.504 -28.488 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.492 -24.043 -26.739 1.00 0.00 C ATOM 0 H LEU A 56 -4.355 -23.888 -30.570 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.043 -26.545 -30.452 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.335 -26.505 -28.197 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.907 -25.503 -28.364 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.398 -23.541 -28.828 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.772 -23.608 -28.134 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.434 -24.621 -29.558 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.650 -25.375 -27.960 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.080 -23.172 -26.450 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.776 -24.894 -26.120 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.433 -23.829 -26.597 1.00 0.00 H new ATOM 522 N ASP A 57 -5.403 -27.892 -30.107 1.00 0.00 N ATOM 523 CA ASP A 57 -6.563 -28.774 -30.453 1.00 0.00 C ATOM 524 C ASP A 57 -7.476 -29.020 -29.236 1.00 0.00 C ATOM 525 O ASP A 57 -8.409 -29.831 -29.301 1.00 0.00 O ATOM 526 CB ASP A 57 -6.073 -30.121 -31.063 1.00 0.00 C ATOM 527 CG ASP A 57 -5.605 -29.991 -32.528 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.541 -29.383 -32.774 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.302 -30.488 -33.444 1.00 0.00 O ATOM 0 H ASP A 57 -4.817 -28.264 -29.359 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.156 -28.254 -31.205 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.252 -30.508 -30.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.880 -30.851 -31.010 1.00 0.00 H new ATOM 534 N GLU A 58 -7.237 -28.263 -28.147 1.00 0.00 N ATOM 535 CA GLU A 58 -8.006 -28.346 -26.888 1.00 0.00 C ATOM 536 C GLU A 58 -8.192 -26.936 -26.301 1.00 0.00 C ATOM 537 O GLU A 58 -7.226 -26.308 -25.864 1.00 0.00 O ATOM 538 CB GLU A 58 -7.327 -29.287 -25.842 1.00 0.00 C ATOM 539 CG GLU A 58 -7.383 -30.777 -26.216 1.00 0.00 C ATOM 540 CD GLU A 58 -6.750 -31.698 -25.164 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.513 -31.856 -25.174 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.490 -32.274 -24.336 1.00 0.00 O ATOM 0 H GLU A 58 -6.493 -27.566 -28.116 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.979 -28.778 -27.120 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.285 -28.991 -25.724 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.809 -29.147 -24.875 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.423 -31.068 -26.363 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.874 -30.923 -27.169 1.00 0.00 H new ATOM 549 N CYS A 59 -9.438 -26.453 -26.350 1.00 0.00 N ATOM 550 CA CYS A 59 -9.882 -25.167 -25.760 1.00 0.00 C ATOM 551 C CYS A 59 -9.459 -25.021 -24.290 1.00 0.00 C ATOM 552 O CYS A 59 -9.826 -25.854 -23.477 1.00 0.00 O ATOM 553 CB CYS A 59 -11.415 -25.120 -25.875 1.00 0.00 C ATOM 554 SG CYS A 59 -12.222 -23.709 -25.073 1.00 0.00 S ATOM 0 H CYS A 59 -10.195 -26.955 -26.814 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.413 -24.343 -26.298 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.681 -25.114 -26.932 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.821 -26.037 -25.449 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.382 -23.502 -25.623 1.00 0.00 H new ATOM 559 N GLU A 60 -8.722 -23.948 -23.955 1.00 0.00 N ATOM 560 CA GLU A 60 -8.206 -23.734 -22.575 1.00 0.00 C ATOM 561 C GLU A 60 -9.341 -23.463 -21.550 1.00 0.00 C ATOM 562 O GLU A 60 -9.131 -23.569 -20.339 1.00 0.00 O ATOM 563 CB GLU A 60 -7.181 -22.563 -22.558 1.00 0.00 C ATOM 564 CG GLU A 60 -7.762 -21.197 -22.978 1.00 0.00 C ATOM 565 CD GLU A 60 -6.796 -20.027 -22.728 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.863 -19.832 -23.527 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.980 -19.285 -21.739 1.00 0.00 O ATOM 0 H GLU A 60 -8.466 -23.212 -24.613 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.712 -24.658 -22.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.767 -22.474 -21.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.354 -22.812 -23.223 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.019 -21.228 -24.037 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.688 -21.019 -22.431 1.00 0.00 H new ATOM 574 N GLU A 61 -10.543 -23.131 -22.059 1.00 0.00 N ATOM 575 CA GLU A 61 -11.706 -22.754 -21.229 1.00 0.00 C ATOM 576 C GLU A 61 -12.431 -23.999 -20.733 1.00 0.00 C ATOM 577 O GLU A 61 -12.624 -24.191 -19.529 1.00 0.00 O ATOM 578 CB GLU A 61 -12.691 -21.899 -22.066 1.00 0.00 C ATOM 579 CG GLU A 61 -12.090 -20.616 -22.652 1.00 0.00 C ATOM 580 CD GLU A 61 -11.955 -19.459 -21.645 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.930 -19.380 -20.934 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.884 -18.617 -21.573 1.00 0.00 O ATOM 0 H GLU A 61 -10.736 -23.116 -23.060 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.349 -22.180 -20.374 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.076 -22.509 -22.883 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.542 -21.632 -21.439 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.105 -20.844 -23.059 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.711 -20.286 -23.485 1.00 0.00 H new ATOM 589 N CYS A 62 -12.832 -24.852 -21.689 1.00 0.00 N ATOM 590 CA CYS A 62 -13.746 -25.972 -21.411 1.00 0.00 C ATOM 591 C CYS A 62 -13.201 -27.317 -21.933 1.00 0.00 C ATOM 592 O CYS A 62 -13.910 -28.326 -21.892 1.00 0.00 O ATOM 593 CB CYS A 62 -15.152 -25.650 -21.988 1.00 0.00 C ATOM 594 SG CYS A 62 -15.314 -25.647 -23.805 1.00 0.00 S ATOM 0 H CYS A 62 -12.537 -24.787 -22.663 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.829 -26.087 -20.330 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.859 -26.375 -21.585 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.455 -24.670 -21.618 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.310 -25.009 -24.329 1.00 0.00 H new ATOM 599 N GLY A 63 -11.921 -27.322 -22.376 1.00 0.00 N ATOM 600 CA GLY A 63 -11.255 -28.516 -22.960 1.00 0.00 C ATOM 601 C GLY A 63 -11.987 -29.117 -24.162 1.00 0.00 C ATOM 602 O GLY A 63 -11.847 -30.305 -24.462 1.00 0.00 O ATOM 0 H GLY A 63 -11.319 -26.499 -22.339 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.245 -28.242 -23.264 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.160 -29.279 -22.188 1.00 0.00 H new ATOM 606 N ALA A 64 -12.757 -28.266 -24.850 1.00 0.00 N ATOM 607 CA ALA A 64 -13.569 -28.657 -26.009 1.00 0.00 C ATOM 608 C ALA A 64 -12.680 -28.858 -27.251 1.00 0.00 C ATOM 609 O ALA A 64 -11.660 -28.153 -27.384 1.00 0.00 O ATOM 610 CB ALA A 64 -14.635 -27.587 -26.278 1.00 0.00 C ATOM 0 H ALA A 64 -12.835 -27.276 -24.616 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.063 -29.604 -25.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.236 -27.880 -27.139 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.278 -27.486 -25.404 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.149 -26.633 -26.483 1.00 0.00 H new ATOM 616 N PRO A 65 -13.050 -29.808 -28.174 1.00 0.00 N ATOM 617 CA PRO A 65 -12.332 -30.002 -29.450 1.00 0.00 C ATOM 618 C PRO A 65 -12.285 -28.706 -30.293 1.00 0.00 C ATOM 619 O PRO A 65 -13.331 -28.160 -30.677 1.00 0.00 O ATOM 620 CB PRO A 65 -13.141 -31.117 -30.168 1.00 0.00 C ATOM 621 CG PRO A 65 -13.873 -31.823 -29.068 1.00 0.00 C ATOM 622 CD PRO A 65 -14.185 -30.765 -28.039 1.00 0.00 C ATOM 0 HA PRO A 65 -11.287 -30.271 -29.297 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.833 -30.697 -30.898 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.483 -31.799 -30.707 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.786 -32.288 -29.441 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.263 -32.618 -28.639 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.143 -30.283 -28.236 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.240 -31.185 -27.035 1.00 0.00 H new ATOM 630 N ILE A 66 -11.065 -28.187 -30.484 1.00 0.00 N ATOM 631 CA ILE A 66 -10.807 -27.050 -31.374 1.00 0.00 C ATOM 632 C ILE A 66 -10.969 -27.508 -32.834 1.00 0.00 C ATOM 633 O ILE A 66 -10.309 -28.471 -33.241 1.00 0.00 O ATOM 634 CB ILE A 66 -9.357 -26.476 -31.147 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.209 -25.936 -29.704 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.989 -25.388 -32.191 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.934 -24.649 -29.446 1.00 0.00 C ATOM 0 H ILE A 66 -10.228 -28.545 -30.024 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.522 -26.257 -31.152 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.654 -27.297 -31.285 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.575 -26.691 -29.008 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.150 -25.791 -29.490 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.981 -25.022 -31.995 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.031 -25.816 -33.193 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.696 -24.561 -32.120 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.776 -24.344 -28.412 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.553 -23.877 -30.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.000 -24.790 -29.624 1.00 0.00 H new ATOM 649 N PRO A 67 -11.856 -26.848 -33.638 1.00 0.00 N ATOM 650 CA PRO A 67 -11.997 -27.166 -35.063 1.00 0.00 C ATOM 651 C PRO A 67 -10.799 -26.617 -35.862 1.00 0.00 C ATOM 652 O PRO A 67 -10.250 -25.549 -35.533 1.00 0.00 O ATOM 653 CB PRO A 67 -13.329 -26.480 -35.452 1.00 0.00 C ATOM 654 CG PRO A 67 -13.451 -25.325 -34.507 1.00 0.00 C ATOM 655 CD PRO A 67 -12.774 -25.755 -33.221 1.00 0.00 C ATOM 0 HA PRO A 67 -12.011 -28.235 -35.275 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.313 -26.144 -36.489 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.171 -27.165 -35.352 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.975 -24.434 -34.918 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.497 -25.075 -34.331 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.228 -24.930 -32.763 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.500 -26.103 -32.486 1.00 0.00 H new ATOM 663 N GLN A 68 -10.403 -27.350 -36.913 1.00 0.00 N ATOM 664 CA GLN A 68 -9.277 -26.971 -37.775 1.00 0.00 C ATOM 665 C GLN A 68 -9.578 -25.658 -38.526 1.00 0.00 C ATOM 666 O GLN A 68 -8.653 -25.007 -39.017 1.00 0.00 O ATOM 667 CB GLN A 68 -8.918 -28.134 -38.749 1.00 0.00 C ATOM 668 CG GLN A 68 -10.061 -28.591 -39.710 1.00 0.00 C ATOM 669 CD GLN A 68 -9.925 -28.118 -41.173 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.259 -26.989 -41.412 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.413 -28.778 -42.093 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.855 -28.222 -37.188 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.403 -26.789 -37.149 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.063 -27.828 -39.351 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.600 -28.993 -38.158 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.107 -29.680 -39.701 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.011 -28.229 -39.316 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.919 -29.640 -41.890 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.310 -28.462 -43.057 1.00 0.00 H new ATOM 680 N ALA A 69 -10.879 -25.290 -38.581 1.00 0.00 N ATOM 681 CA ALA A 69 -11.350 -24.033 -39.175 1.00 0.00 C ATOM 682 C ALA A 69 -10.803 -22.841 -38.374 1.00 0.00 C ATOM 683 O ALA A 69 -10.334 -21.861 -38.945 1.00 0.00 O ATOM 684 CB ALA A 69 -12.890 -24.007 -39.208 1.00 0.00 C ATOM 0 H ALA A 69 -11.632 -25.868 -38.209 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.984 -23.961 -40.199 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.229 -23.070 -39.650 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.255 -24.843 -39.804 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.277 -24.089 -38.192 1.00 0.00 H new ATOM 690 N ARG A 70 -10.844 -22.968 -37.034 1.00 0.00 N ATOM 691 CA ARG A 70 -10.321 -21.951 -36.101 1.00 0.00 C ATOM 692 C ARG A 70 -8.786 -21.903 -36.107 1.00 0.00 C ATOM 693 O ARG A 70 -8.203 -20.841 -35.882 1.00 0.00 O ATOM 694 CB ARG A 70 -10.872 -22.190 -34.663 1.00 0.00 C ATOM 695 CG ARG A 70 -12.339 -21.755 -34.486 1.00 0.00 C ATOM 696 CD ARG A 70 -12.514 -20.234 -34.654 1.00 0.00 C ATOM 697 NE ARG A 70 -13.930 -19.814 -34.694 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.596 -19.429 -35.805 1.00 0.00 C ATOM 699 NH1 ARG A 70 -14.048 -19.553 -37.013 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.820 -18.931 -35.692 1.00 0.00 N ATOM 0 H ARG A 70 -11.242 -23.782 -36.566 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.671 -20.978 -36.445 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.784 -23.249 -34.420 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.252 -21.647 -33.950 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.962 -22.274 -35.215 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.689 -22.053 -33.498 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.013 -19.724 -33.831 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.021 -19.917 -35.573 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.445 -19.815 -33.814 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.111 -19.944 -37.110 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.566 -19.257 -37.841 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.251 -18.841 -34.772 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.330 -18.638 -36.525 1.00 0.00 H new ATOM 714 N ARG A 71 -8.139 -23.055 -36.356 1.00 0.00 N ATOM 715 CA ARG A 71 -6.659 -23.145 -36.386 1.00 0.00 C ATOM 716 C ARG A 71 -6.062 -22.374 -37.586 1.00 0.00 C ATOM 717 O ARG A 71 -5.008 -21.737 -37.466 1.00 0.00 O ATOM 718 CB ARG A 71 -6.192 -24.624 -36.412 1.00 0.00 C ATOM 719 CG ARG A 71 -6.712 -25.491 -35.238 1.00 0.00 C ATOM 720 CD ARG A 71 -6.018 -26.865 -35.155 1.00 0.00 C ATOM 721 NE ARG A 71 -6.009 -27.573 -36.451 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.341 -28.708 -36.708 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.693 -29.353 -35.747 1.00 0.00 N ATOM 724 NH2 ARG A 71 -5.347 -29.209 -37.931 1.00 0.00 N ATOM 0 H ARG A 71 -8.613 -23.939 -36.540 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.291 -22.679 -35.472 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.515 -25.076 -37.350 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.102 -24.646 -36.407 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.559 -24.955 -34.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.786 -25.638 -35.349 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.992 -26.730 -34.811 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.525 -27.480 -34.412 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.554 -27.167 -37.211 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.697 -28.987 -34.795 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.190 -30.215 -35.960 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.858 -28.733 -38.675 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.841 -30.072 -38.131 1.00 0.00 H new ATOM 738 N GLU A 72 -6.753 -22.443 -38.736 1.00 0.00 N ATOM 739 CA GLU A 72 -6.319 -21.766 -39.985 1.00 0.00 C ATOM 740 C GLU A 72 -6.843 -20.317 -40.059 1.00 0.00 C ATOM 741 O GLU A 72 -6.213 -19.458 -40.693 1.00 0.00 O ATOM 742 CB GLU A 72 -6.774 -22.588 -41.221 1.00 0.00 C ATOM 743 CG GLU A 72 -8.291 -22.853 -41.303 1.00 0.00 C ATOM 744 CD GLU A 72 -8.722 -23.821 -42.418 1.00 0.00 C ATOM 745 OE1 GLU A 72 -7.959 -24.758 -42.749 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.844 -23.671 -42.950 1.00 0.00 O ATOM 0 H GLU A 72 -7.624 -22.965 -38.834 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.230 -21.712 -39.981 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.463 -22.062 -42.123 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.253 -23.545 -41.214 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.627 -23.252 -40.346 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.803 -21.902 -41.450 1.00 0.00 H new ATOM 753 N ALA A 73 -8.006 -20.060 -39.434 1.00 0.00 N ATOM 754 CA ALA A 73 -8.607 -18.704 -39.371 1.00 0.00 C ATOM 755 C ALA A 73 -7.814 -17.800 -38.419 1.00 0.00 C ATOM 756 O ALA A 73 -7.605 -16.608 -38.687 1.00 0.00 O ATOM 757 CB ALA A 73 -10.075 -18.783 -38.918 1.00 0.00 C ATOM 0 H ALA A 73 -8.556 -20.776 -38.960 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.570 -18.274 -40.372 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.498 -17.779 -38.878 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.642 -19.388 -39.626 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.127 -19.238 -37.929 1.00 0.00 H new ATOM 763 N ILE A 74 -7.391 -18.389 -37.294 1.00 0.00 N ATOM 764 CA ILE A 74 -6.685 -17.688 -36.219 1.00 0.00 C ATOM 765 C ILE A 74 -5.290 -18.321 -36.064 1.00 0.00 C ATOM 766 O ILE A 74 -5.196 -19.472 -35.620 1.00 0.00 O ATOM 767 CB ILE A 74 -7.479 -17.805 -34.861 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.989 -17.453 -35.073 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.843 -16.924 -33.754 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.874 -17.726 -33.875 1.00 0.00 C ATOM 0 H ILE A 74 -7.533 -19.381 -37.104 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.598 -16.631 -36.469 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.417 -18.840 -34.524 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.069 -16.398 -35.335 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.365 -18.022 -35.923 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.415 -17.029 -32.832 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.815 -17.243 -33.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.851 -15.881 -34.070 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.902 -17.453 -34.112 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.829 -18.786 -33.623 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.529 -17.137 -33.026 1.00 0.00 H new ATOM 782 N PRO A 75 -4.186 -17.604 -36.453 1.00 0.00 N ATOM 783 CA PRO A 75 -2.801 -18.103 -36.285 1.00 0.00 C ATOM 784 C PRO A 75 -2.378 -18.039 -34.803 1.00 0.00 C ATOM 785 O PRO A 75 -1.624 -17.154 -34.369 1.00 0.00 O ATOM 786 CB PRO A 75 -1.972 -17.165 -37.193 1.00 0.00 C ATOM 787 CG PRO A 75 -2.733 -15.875 -37.195 1.00 0.00 C ATOM 788 CD PRO A 75 -4.202 -16.255 -37.086 1.00 0.00 C ATOM 0 HA PRO A 75 -2.669 -19.149 -36.561 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.962 -17.029 -36.806 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.876 -17.571 -38.200 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.431 -15.242 -36.361 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.543 -15.311 -38.108 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.755 -15.537 -36.480 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.680 -16.280 -38.065 1.00 0.00 H new ATOM 796 N GLY A 76 -2.922 -18.988 -34.034 1.00 0.00 N ATOM 797 CA GLY A 76 -2.759 -19.029 -32.591 1.00 0.00 C ATOM 798 C GLY A 76 -4.091 -19.036 -31.871 1.00 0.00 C ATOM 799 O GLY A 76 -4.355 -18.165 -31.035 1.00 0.00 O ATOM 0 H GLY A 76 -3.490 -19.750 -34.405 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.193 -19.919 -32.315 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.176 -18.167 -32.267 1.00 0.00 H new ATOM 803 N VAL A 77 -4.951 -20.013 -32.213 1.00 0.00 N ATOM 804 CA VAL A 77 -6.256 -20.184 -31.548 1.00 0.00 C ATOM 805 C VAL A 77 -6.061 -20.844 -30.168 1.00 0.00 C ATOM 806 O VAL A 77 -5.189 -21.702 -29.990 1.00 0.00 O ATOM 807 CB VAL A 77 -7.284 -21.004 -32.418 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.821 -22.454 -32.659 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.701 -20.968 -31.795 1.00 0.00 C ATOM 0 H VAL A 77 -4.765 -20.697 -32.947 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.685 -19.190 -31.419 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.329 -20.518 -33.393 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.563 -22.977 -33.263 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.865 -22.448 -33.183 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.707 -22.963 -31.702 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.387 -21.542 -32.418 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.670 -21.401 -30.795 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.045 -19.936 -31.733 1.00 0.00 H new ATOM 819 N ARG A 78 -6.860 -20.390 -29.202 1.00 0.00 N ATOM 820 CA ARG A 78 -6.821 -20.835 -27.796 1.00 0.00 C ATOM 821 C ARG A 78 -8.157 -21.501 -27.424 1.00 0.00 C ATOM 822 O ARG A 78 -8.232 -22.420 -26.596 1.00 0.00 O ATOM 823 CB ARG A 78 -6.647 -19.596 -26.883 1.00 0.00 C ATOM 824 CG ARG A 78 -5.571 -18.583 -27.321 1.00 0.00 C ATOM 825 CD ARG A 78 -5.778 -17.224 -26.634 1.00 0.00 C ATOM 826 NE ARG A 78 -5.777 -17.343 -25.168 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.300 -16.457 -24.310 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.851 -15.331 -24.740 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.273 -16.707 -23.017 1.00 0.00 N ATOM 0 H ARG A 78 -7.574 -19.683 -29.374 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.998 -21.538 -27.668 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.603 -19.077 -26.821 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.406 -19.941 -25.877 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.582 -18.970 -27.077 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.606 -18.456 -28.403 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.990 -16.538 -26.943 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.723 -16.792 -26.962 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.339 -18.174 -24.769 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.882 -15.127 -25.739 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.244 -14.668 -24.072 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.855 -17.572 -22.673 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.670 -16.036 -22.359 1.00 0.00 H new ATOM 843 N LEU A 79 -9.213 -20.985 -28.064 1.00 0.00 N ATOM 844 CA LEU A 79 -10.604 -21.105 -27.618 1.00 0.00 C ATOM 845 C LEU A 79 -11.444 -21.772 -28.707 1.00 0.00 C ATOM 846 O LEU A 79 -11.283 -21.455 -29.892 1.00 0.00 O ATOM 847 CB LEU A 79 -11.146 -19.676 -27.355 1.00 0.00 C ATOM 848 CG LEU A 79 -10.248 -18.753 -26.480 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.702 -17.283 -26.527 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.184 -19.260 -25.046 1.00 0.00 C ATOM 0 H LEU A 79 -9.119 -20.457 -28.932 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.657 -21.711 -26.713 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.306 -19.188 -28.316 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.121 -19.762 -26.875 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.244 -18.788 -26.903 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.045 -16.679 -25.901 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.658 -16.921 -27.554 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.725 -17.206 -26.159 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.551 -18.599 -24.454 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.188 -19.277 -24.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.768 -20.267 -25.034 1.00 0.00 H new ATOM 862 N CYS A 80 -12.334 -22.699 -28.307 1.00 0.00 N ATOM 863 CA CYS A 80 -13.289 -23.335 -29.239 1.00 0.00 C ATOM 864 C CYS A 80 -14.277 -22.272 -29.709 1.00 0.00 C ATOM 865 O CYS A 80 -14.473 -21.289 -28.992 1.00 0.00 O ATOM 866 CB CYS A 80 -14.017 -24.526 -28.575 1.00 0.00 C ATOM 867 SG CYS A 80 -15.267 -24.062 -27.344 1.00 0.00 S ATOM 0 H CYS A 80 -12.413 -23.026 -27.344 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.751 -23.741 -30.095 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.496 -25.120 -29.353 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.276 -25.166 -28.096 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.029 -24.684 -26.228 1.00 0.00 H new ATOM 872 N ILE A 81 -14.925 -22.500 -30.864 1.00 0.00 N ATOM 873 CA ILE A 81 -15.719 -21.471 -31.598 1.00 0.00 C ATOM 874 C ILE A 81 -16.763 -20.742 -30.688 1.00 0.00 C ATOM 875 O ILE A 81 -17.084 -19.566 -30.907 1.00 0.00 O ATOM 876 CB ILE A 81 -16.415 -22.124 -32.863 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.295 -21.092 -33.645 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.219 -23.388 -32.472 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.923 -21.619 -34.926 1.00 0.00 C ATOM 0 H ILE A 81 -14.919 -23.409 -31.328 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.023 -20.701 -31.931 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.623 -22.438 -33.543 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.090 -20.743 -32.986 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.680 -20.226 -33.890 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.684 -23.813 -33.361 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.548 -24.123 -32.027 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.991 -23.119 -31.751 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.512 -20.830 -35.394 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.138 -21.940 -35.611 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.569 -22.465 -34.693 1.00 0.00 H new ATOM 891 N HIS A 82 -17.199 -21.430 -29.624 1.00 0.00 N ATOM 892 CA HIS A 82 -18.183 -20.908 -28.646 1.00 0.00 C ATOM 893 C HIS A 82 -17.509 -19.924 -27.647 1.00 0.00 C ATOM 894 O HIS A 82 -18.013 -18.814 -27.428 1.00 0.00 O ATOM 895 CB HIS A 82 -18.861 -22.091 -27.899 1.00 0.00 C ATOM 896 CG HIS A 82 -19.326 -23.198 -28.813 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.573 -23.232 -29.390 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.673 -24.289 -29.280 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.667 -24.294 -30.168 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.526 -24.952 -30.118 1.00 0.00 N ATOM 0 H HIS A 82 -16.880 -22.375 -29.410 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.950 -20.350 -29.183 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.159 -22.502 -27.174 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.715 -21.713 -27.337 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.663 -24.582 -29.035 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.533 -24.576 -30.748 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.314 -25.814 -30.621 1.00 0.00 H new ATOM 909 N CYS A 83 -16.348 -20.325 -27.066 1.00 0.00 N ATOM 910 CA CYS A 83 -15.592 -19.476 -26.116 1.00 0.00 C ATOM 911 C CYS A 83 -14.771 -18.411 -26.864 1.00 0.00 C ATOM 912 O CYS A 83 -14.285 -17.457 -26.258 1.00 0.00 O ATOM 913 CB CYS A 83 -14.639 -20.323 -25.244 1.00 0.00 C ATOM 914 SG CYS A 83 -15.398 -21.734 -24.391 1.00 0.00 S ATOM 0 H CYS A 83 -15.917 -21.233 -27.241 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.323 -18.986 -25.473 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.832 -20.695 -25.876 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.185 -19.672 -24.497 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.489 -22.739 -25.211 1.00 0.00 H new ATOM 919 N GLN A 84 -14.561 -18.612 -28.176 1.00 0.00 N ATOM 920 CA GLN A 84 -13.737 -17.709 -28.987 1.00 0.00 C ATOM 921 C GLN A 84 -14.550 -16.474 -29.369 1.00 0.00 C ATOM 922 O GLN A 84 -14.090 -15.358 -29.153 1.00 0.00 O ATOM 923 CB GLN A 84 -13.197 -18.443 -30.257 1.00 0.00 C ATOM 924 CG GLN A 84 -11.809 -17.986 -30.779 1.00 0.00 C ATOM 925 CD GLN A 84 -11.649 -16.467 -30.918 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.036 -15.826 -29.923 1.00 0.00 O flip ATOM 927 NE2 GLN A 84 -12.017 -15.891 -31.934 1.00 0.00 N flip ATOM 0 H GLN A 84 -14.954 -19.396 -28.696 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.875 -17.391 -28.400 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.146 -19.510 -30.039 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.923 -18.316 -31.060 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.040 -18.359 -30.103 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.630 -18.448 -31.750 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.483 -16.413 -32.676 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.857 -14.889 -32.038 1.00 0.00 H new