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 152:sc= -0.702! USER MOD Set 1.2: A 62 CYS SG : rot -41:sc= -0.484 USER MOD Set 1.3: A 80 CYS SG : rot -135:sc= 0.583 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.123 X(o=-0.6,f=-0.48) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= 0.126 USER MOD Single : A 38 THR OG1 : rot 31:sc= 0.136 USER MOD Single : A 55 SER OG : rot -27:sc= 0.486 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0549 F(o=-0.7,f=-0.055) USER MOD Single : A 84 GLN : amide:sc= -0.98 K(o=-0.98,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 14.608 -21.091 -20.804 1.00 0.00 N ATOM 235 CA THR A 38 14.769 -22.099 -19.741 1.00 0.00 C ATOM 236 C THR A 38 13.483 -22.223 -18.891 1.00 0.00 C ATOM 237 O THR A 38 13.082 -23.327 -18.505 1.00 0.00 O ATOM 238 CB THR A 38 15.971 -21.711 -18.819 1.00 0.00 C ATOM 239 OG1 THR A 38 17.154 -21.539 -19.616 1.00 0.00 O ATOM 240 CG2 THR A 38 16.228 -22.760 -17.718 1.00 0.00 C ATOM 0 HA THR A 38 14.964 -23.062 -20.213 1.00 0.00 H new ATOM 0 HB THR A 38 15.715 -20.776 -18.321 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.904 -21.212 -20.506 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.072 -22.445 -17.105 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.341 -22.856 -17.092 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.453 -23.722 -18.178 1.00 0.00 H new ATOM 248 N ILE A 39 12.847 -21.068 -18.626 1.00 0.00 N ATOM 249 CA ILE A 39 11.616 -20.984 -17.818 1.00 0.00 C ATOM 250 C ILE A 39 10.472 -21.698 -18.552 1.00 0.00 C ATOM 251 O ILE A 39 9.776 -22.536 -17.978 1.00 0.00 O ATOM 252 CB ILE A 39 11.209 -19.479 -17.489 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.195 -18.813 -16.463 1.00 0.00 C ATOM 254 CG2 ILE A 39 9.746 -19.370 -16.967 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.624 -18.623 -16.939 1.00 0.00 C ATOM 0 H ILE A 39 13.173 -20.164 -18.967 1.00 0.00 H new ATOM 0 HA ILE A 39 11.809 -21.476 -16.865 1.00 0.00 H new ATOM 0 HB ILE A 39 11.277 -18.936 -18.432 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.794 -17.839 -16.184 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.212 -19.421 -15.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.512 -18.327 -16.756 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.060 -19.749 -17.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.640 -19.958 -16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.212 -18.156 -16.149 1.00 0.00 H new ATOM 0 HD12 ILE A 39 14.056 -19.592 -17.188 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.631 -17.985 -17.823 1.00 0.00 H new ATOM 267 N GLU A 40 10.339 -21.398 -19.851 1.00 0.00 N ATOM 268 CA GLU A 40 9.231 -21.911 -20.674 1.00 0.00 C ATOM 269 C GLU A 40 9.489 -23.384 -21.062 1.00 0.00 C ATOM 270 O GLU A 40 8.549 -24.120 -21.369 1.00 0.00 O ATOM 271 CB GLU A 40 9.020 -21.021 -21.923 1.00 0.00 C ATOM 272 CG GLU A 40 10.054 -21.207 -23.047 1.00 0.00 C ATOM 273 CD GLU A 40 9.785 -20.320 -24.271 1.00 0.00 C ATOM 274 OE1 GLU A 40 10.195 -19.141 -24.265 1.00 0.00 O ATOM 275 OE2 GLU A 40 9.166 -20.800 -25.247 1.00 0.00 O ATOM 0 H GLU A 40 10.989 -20.798 -20.359 1.00 0.00 H new ATOM 0 HA GLU A 40 8.312 -21.876 -20.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.028 -21.221 -22.328 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.032 -19.977 -21.611 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.048 -20.986 -22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.059 -22.252 -23.358 1.00 0.00 H new ATOM 282 N ASP A 41 10.774 -23.786 -21.031 1.00 0.00 N ATOM 283 CA ASP A 41 11.200 -25.189 -21.201 1.00 0.00 C ATOM 284 C ASP A 41 10.767 -26.005 -19.979 1.00 0.00 C ATOM 285 O ASP A 41 10.253 -27.118 -20.112 1.00 0.00 O ATOM 286 CB ASP A 41 12.740 -25.255 -21.377 1.00 0.00 C ATOM 287 CG ASP A 41 13.294 -26.682 -21.529 1.00 0.00 C ATOM 288 OD1 ASP A 41 13.062 -27.300 -22.587 1.00 0.00 O ATOM 289 OD2 ASP A 41 13.969 -27.189 -20.605 1.00 0.00 O ATOM 0 H ASP A 41 11.551 -23.142 -20.886 1.00 0.00 H new ATOM 0 HA ASP A 41 10.731 -25.607 -22.092 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.020 -24.673 -22.255 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.214 -24.782 -20.517 1.00 0.00 H new ATOM 294 N ALA A 42 10.973 -25.402 -18.792 1.00 0.00 N ATOM 295 CA ALA A 42 10.560 -25.979 -17.503 1.00 0.00 C ATOM 296 C ALA A 42 9.034 -26.195 -17.462 1.00 0.00 C ATOM 297 O ALA A 42 8.563 -27.228 -16.997 1.00 0.00 O ATOM 298 CB ALA A 42 11.009 -25.072 -16.342 1.00 0.00 C ATOM 0 H ALA A 42 11.433 -24.496 -18.703 1.00 0.00 H new ATOM 0 HA ALA A 42 11.042 -26.950 -17.393 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.696 -25.512 -15.395 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.094 -24.974 -16.356 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.554 -24.088 -16.453 1.00 0.00 H new ATOM 304 N ILE A 43 8.288 -25.213 -17.996 1.00 0.00 N ATOM 305 CA ILE A 43 6.810 -25.243 -18.051 1.00 0.00 C ATOM 306 C ILE A 43 6.300 -26.269 -19.100 1.00 0.00 C ATOM 307 O ILE A 43 5.316 -26.995 -18.859 1.00 0.00 O ATOM 308 CB ILE A 43 6.241 -23.802 -18.355 1.00 0.00 C ATOM 309 CG1 ILE A 43 6.676 -22.776 -17.251 1.00 0.00 C ATOM 310 CG2 ILE A 43 4.703 -23.806 -18.524 1.00 0.00 C ATOM 311 CD1 ILE A 43 6.267 -23.140 -15.828 1.00 0.00 C ATOM 0 H ILE A 43 8.692 -24.370 -18.405 1.00 0.00 H new ATOM 0 HA ILE A 43 6.445 -25.563 -17.075 1.00 0.00 H new ATOM 0 HB ILE A 43 6.671 -23.487 -19.305 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.760 -22.669 -17.284 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.252 -21.802 -17.496 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.357 -22.793 -18.732 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.430 -24.460 -19.352 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.237 -24.168 -17.607 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.614 -22.368 -15.141 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.181 -23.216 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.713 -24.096 -15.555 1.00 0.00 H new ATOM 323 N ALA A 44 6.992 -26.332 -20.249 1.00 0.00 N ATOM 324 CA ALA A 44 6.633 -27.236 -21.360 1.00 0.00 C ATOM 325 C ALA A 44 6.870 -28.714 -20.982 1.00 0.00 C ATOM 326 O ALA A 44 6.139 -29.598 -21.436 1.00 0.00 O ATOM 327 CB ALA A 44 7.416 -26.858 -22.628 1.00 0.00 C ATOM 0 H ALA A 44 7.815 -25.760 -20.436 1.00 0.00 H new ATOM 0 HA ALA A 44 5.568 -27.119 -21.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.142 -27.532 -23.439 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.177 -25.833 -22.911 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.485 -26.940 -22.433 1.00 0.00 H new ATOM 333 N ARG A 45 7.890 -28.979 -20.141 1.00 0.00 N ATOM 334 CA ARG A 45 8.174 -30.342 -19.649 1.00 0.00 C ATOM 335 C ARG A 45 7.394 -30.637 -18.351 1.00 0.00 C ATOM 336 O ARG A 45 7.248 -31.807 -17.978 1.00 0.00 O ATOM 337 CB ARG A 45 9.708 -30.552 -19.431 1.00 0.00 C ATOM 338 CG ARG A 45 10.338 -29.761 -18.236 1.00 0.00 C ATOM 339 CD ARG A 45 10.946 -30.660 -17.134 1.00 0.00 C ATOM 340 NE ARG A 45 9.959 -31.595 -16.552 1.00 0.00 N ATOM 341 CZ ARG A 45 9.986 -32.089 -15.304 1.00 0.00 C ATOM 342 NH1 ARG A 45 10.956 -31.756 -14.460 1.00 0.00 N ATOM 343 NH2 ARG A 45 9.031 -32.917 -14.914 1.00 0.00 N ATOM 0 H ARG A 45 8.530 -28.267 -19.789 1.00 0.00 H new ATOM 0 HA ARG A 45 7.840 -31.046 -20.412 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.892 -31.615 -19.276 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.229 -30.268 -20.346 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.115 -29.101 -18.621 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.572 -29.126 -17.790 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.777 -31.229 -17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.356 -30.032 -16.343 1.00 0.00 H new ATOM 0 HE ARG A 45 9.189 -31.891 -17.152 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.693 -31.117 -14.757 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.963 -32.139 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.284 -33.174 -15.559 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.042 -33.298 -13.968 1.00 0.00 H new ATOM 357 N ALA A 46 6.919 -29.571 -17.660 1.00 0.00 N ATOM 358 CA ALA A 46 6.201 -29.708 -16.373 1.00 0.00 C ATOM 359 C ALA A 46 4.868 -30.439 -16.564 1.00 0.00 C ATOM 360 O ALA A 46 4.607 -31.454 -15.905 1.00 0.00 O ATOM 361 CB ALA A 46 5.964 -28.337 -15.716 1.00 0.00 C ATOM 0 H ALA A 46 7.022 -28.606 -17.975 1.00 0.00 H new ATOM 0 HA ALA A 46 6.831 -30.300 -15.710 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.435 -28.472 -14.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.922 -27.853 -15.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.367 -27.713 -16.381 1.00 0.00 H new ATOM 367 N ARG A 47 4.043 -29.935 -17.498 1.00 0.00 N ATOM 368 CA ARG A 47 2.714 -30.512 -17.774 1.00 0.00 C ATOM 369 C ARG A 47 2.320 -30.373 -19.257 1.00 0.00 C ATOM 370 O ARG A 47 1.202 -30.746 -19.635 1.00 0.00 O ATOM 371 CB ARG A 47 1.658 -29.886 -16.811 1.00 0.00 C ATOM 372 CG ARG A 47 1.398 -28.351 -16.936 1.00 0.00 C ATOM 373 CD ARG A 47 0.209 -28.006 -17.860 1.00 0.00 C ATOM 374 NE ARG A 47 -0.260 -26.612 -17.674 1.00 0.00 N ATOM 375 CZ ARG A 47 -1.528 -26.255 -17.391 1.00 0.00 C ATOM 376 NH1 ARG A 47 -2.468 -27.176 -17.206 1.00 0.00 N ATOM 377 NH2 ARG A 47 -1.845 -24.976 -17.271 1.00 0.00 N ATOM 0 H ARG A 47 4.273 -29.127 -18.076 1.00 0.00 H new ATOM 0 HA ARG A 47 2.752 -31.584 -17.582 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.711 -30.403 -16.967 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.970 -30.093 -15.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.210 -27.939 -15.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.297 -27.867 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.504 -28.152 -18.899 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.614 -28.693 -17.663 1.00 0.00 H new ATOM 0 HE ARG A 47 0.430 -25.866 -17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.233 -28.166 -17.278 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.424 -26.893 -16.992 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.129 -24.260 -17.393 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.805 -24.706 -17.057 1.00 0.00 H new ATOM 391 N GLY A 48 3.258 -29.880 -20.093 1.00 0.00 N ATOM 392 CA GLY A 48 2.997 -29.663 -21.523 1.00 0.00 C ATOM 393 C GLY A 48 1.989 -28.555 -21.773 1.00 0.00 C ATOM 394 O GLY A 48 0.927 -28.788 -22.354 1.00 0.00 O ATOM 0 H GLY A 48 4.201 -29.626 -19.798 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.933 -29.418 -22.026 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.630 -30.589 -21.966 1.00 0.00 H new ATOM 398 N GLU A 49 2.324 -27.344 -21.310 1.00 0.00 N ATOM 399 CA GLU A 49 1.410 -26.190 -21.336 1.00 0.00 C ATOM 400 C GLU A 49 1.470 -25.454 -22.686 1.00 0.00 C ATOM 401 O GLU A 49 0.435 -25.258 -23.335 1.00 0.00 O ATOM 402 CB GLU A 49 1.756 -25.226 -20.177 1.00 0.00 C ATOM 403 CG GLU A 49 0.772 -24.043 -20.015 1.00 0.00 C ATOM 404 CD GLU A 49 1.068 -23.168 -18.788 1.00 0.00 C ATOM 405 OE1 GLU A 49 0.691 -23.566 -17.661 1.00 0.00 O ATOM 406 OE2 GLU A 49 1.689 -22.100 -18.935 1.00 0.00 O ATOM 0 H GLU A 49 3.237 -27.134 -20.906 1.00 0.00 H new ATOM 0 HA GLU A 49 0.391 -26.556 -21.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.782 -25.792 -19.246 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.759 -24.830 -20.337 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.809 -23.424 -20.911 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.243 -24.432 -19.938 1.00 0.00 H new ATOM 413 N ILE A 50 2.686 -25.026 -23.089 1.00 0.00 N ATOM 414 CA ILE A 50 2.885 -24.295 -24.353 1.00 0.00 C ATOM 415 C ILE A 50 2.601 -25.209 -25.577 1.00 0.00 C ATOM 416 O ILE A 50 3.072 -26.355 -25.616 1.00 0.00 O ATOM 417 CB ILE A 50 4.332 -23.659 -24.448 1.00 0.00 C ATOM 418 CG1 ILE A 50 4.510 -22.562 -23.342 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.634 -23.085 -25.867 1.00 0.00 C ATOM 420 CD1 ILE A 50 5.700 -21.635 -23.540 1.00 0.00 C ATOM 0 H ILE A 50 3.542 -25.176 -22.555 1.00 0.00 H new ATOM 0 HA ILE A 50 2.168 -23.474 -24.365 1.00 0.00 H new ATOM 0 HB ILE A 50 5.057 -24.455 -24.276 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.603 -21.960 -23.300 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.610 -23.055 -22.375 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.638 -22.660 -25.882 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.568 -23.885 -26.605 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.908 -22.309 -26.108 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.738 -20.912 -22.725 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.620 -22.220 -23.549 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.596 -21.107 -24.488 1.00 0.00 H new ATOM 492 N SER A 55 -1.586 -22.714 -33.029 1.00 0.00 N ATOM 493 CA SER A 55 -2.889 -23.125 -32.496 1.00 0.00 C ATOM 494 C SER A 55 -2.822 -24.504 -31.794 1.00 0.00 C ATOM 495 O SER A 55 -1.919 -25.299 -32.050 1.00 0.00 O ATOM 496 CB SER A 55 -3.877 -23.164 -33.671 1.00 0.00 C ATOM 497 OG SER A 55 -3.390 -23.963 -34.741 1.00 0.00 O ATOM 0 HA SER A 55 -3.213 -22.412 -31.738 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.834 -23.558 -33.329 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.059 -22.150 -34.027 1.00 0.00 H new ATOM 0 HG SER A 55 -2.410 -23.977 -34.719 1.00 0.00 H new ATOM 503 N LEU A 56 -3.800 -24.771 -30.915 1.00 0.00 N ATOM 504 CA LEU A 56 -3.925 -26.058 -30.182 1.00 0.00 C ATOM 505 C LEU A 56 -5.210 -26.799 -30.617 1.00 0.00 C ATOM 506 O LEU A 56 -5.978 -26.274 -31.432 1.00 0.00 O ATOM 507 CB LEU A 56 -3.866 -25.789 -28.640 1.00 0.00 C ATOM 508 CG LEU A 56 -4.720 -24.583 -28.098 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.230 -24.813 -28.235 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.370 -24.218 -26.645 1.00 0.00 C ATOM 0 H LEU A 56 -4.535 -24.102 -30.685 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.091 -26.714 -30.429 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.189 -26.693 -28.125 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.825 -25.620 -28.364 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.453 -23.738 -28.733 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.767 -23.948 -27.845 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.483 -24.953 -29.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.515 -25.701 -27.672 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.988 -23.380 -26.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.555 -25.076 -25.999 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.318 -23.938 -26.583 1.00 0.00 H new ATOM 522 N ASP A 57 -5.455 -28.003 -30.051 1.00 0.00 N ATOM 523 CA ASP A 57 -6.623 -28.855 -30.422 1.00 0.00 C ATOM 524 C ASP A 57 -7.651 -28.976 -29.272 1.00 0.00 C ATOM 525 O ASP A 57 -8.730 -29.549 -29.454 1.00 0.00 O ATOM 526 CB ASP A 57 -6.154 -30.266 -30.888 1.00 0.00 C ATOM 527 CG ASP A 57 -5.496 -31.104 -29.776 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.346 -30.799 -29.397 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.121 -32.076 -29.291 1.00 0.00 O ATOM 0 H ASP A 57 -4.860 -28.413 -29.332 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.126 -28.360 -31.253 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.012 -30.812 -31.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.446 -30.150 -31.709 1.00 0.00 H new ATOM 534 N GLU A 58 -7.339 -28.363 -28.120 1.00 0.00 N ATOM 535 CA GLU A 58 -8.157 -28.442 -26.886 1.00 0.00 C ATOM 536 C GLU A 58 -8.266 -27.051 -26.236 1.00 0.00 C ATOM 537 O GLU A 58 -7.267 -26.491 -25.789 1.00 0.00 O ATOM 538 CB GLU A 58 -7.567 -29.456 -25.861 1.00 0.00 C ATOM 539 CG GLU A 58 -7.643 -30.927 -26.298 1.00 0.00 C ATOM 540 CD GLU A 58 -7.138 -31.888 -25.215 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.911 -32.117 -25.133 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.957 -32.391 -24.416 1.00 0.00 O ATOM 0 H GLU A 58 -6.502 -27.790 -28.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.148 -28.795 -27.172 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.524 -29.199 -25.676 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.096 -29.344 -24.914 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.674 -31.176 -26.548 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.054 -31.064 -27.205 1.00 0.00 H new ATOM 549 N CYS A 59 -9.492 -26.513 -26.239 1.00 0.00 N ATOM 550 CA CYS A 59 -9.868 -25.229 -25.601 1.00 0.00 C ATOM 551 C CYS A 59 -9.347 -25.107 -24.155 1.00 0.00 C ATOM 552 O CYS A 59 -9.629 -25.968 -23.339 1.00 0.00 O ATOM 553 CB CYS A 59 -11.405 -25.161 -25.611 1.00 0.00 C ATOM 554 SG CYS A 59 -12.136 -23.743 -24.754 1.00 0.00 S ATOM 0 H CYS A 59 -10.281 -26.968 -26.698 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.417 -24.406 -26.156 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.743 -25.149 -26.647 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.793 -26.074 -25.160 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.281 -23.451 -25.296 1.00 0.00 H new ATOM 559 N GLU A 60 -8.616 -24.019 -23.833 1.00 0.00 N ATOM 560 CA GLU A 60 -8.056 -23.812 -22.474 1.00 0.00 C ATOM 561 C GLU A 60 -9.165 -23.536 -21.426 1.00 0.00 C ATOM 562 O GLU A 60 -8.921 -23.600 -20.220 1.00 0.00 O ATOM 563 CB GLU A 60 -7.030 -22.650 -22.476 1.00 0.00 C ATOM 564 CG GLU A 60 -7.631 -21.262 -22.803 1.00 0.00 C ATOM 565 CD GLU A 60 -6.690 -20.116 -22.430 1.00 0.00 C ATOM 566 OE1 GLU A 60 -6.636 -19.764 -21.233 1.00 0.00 O ATOM 567 OE2 GLU A 60 -5.995 -19.578 -23.309 1.00 0.00 O ATOM 0 H GLU A 60 -8.398 -23.271 -24.491 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.551 -24.736 -22.192 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.552 -22.603 -21.498 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.249 -22.874 -23.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.859 -21.210 -23.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.574 -21.143 -22.269 1.00 0.00 H new ATOM 574 N GLU A 61 -10.380 -23.225 -21.912 1.00 0.00 N ATOM 575 CA GLU A 61 -11.533 -22.877 -21.071 1.00 0.00 C ATOM 576 C GLU A 61 -12.232 -24.146 -20.595 1.00 0.00 C ATOM 577 O GLU A 61 -12.291 -24.436 -19.405 1.00 0.00 O ATOM 578 CB GLU A 61 -12.539 -22.022 -21.886 1.00 0.00 C ATOM 579 CG GLU A 61 -11.935 -20.756 -22.522 1.00 0.00 C ATOM 580 CD GLU A 61 -11.929 -19.512 -21.611 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.137 -19.464 -20.647 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.709 -18.572 -21.874 1.00 0.00 O ATOM 0 H GLU A 61 -10.588 -23.209 -22.910 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.180 -22.309 -20.210 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.966 -22.641 -22.675 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.360 -21.728 -21.232 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.910 -20.972 -22.824 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.492 -20.521 -23.429 1.00 0.00 H new ATOM 589 N CYS A 62 -12.745 -24.917 -21.571 1.00 0.00 N ATOM 590 CA CYS A 62 -13.646 -26.044 -21.293 1.00 0.00 C ATOM 591 C CYS A 62 -13.162 -27.350 -21.963 1.00 0.00 C ATOM 592 O CYS A 62 -13.923 -28.312 -22.070 1.00 0.00 O ATOM 593 CB CYS A 62 -15.087 -25.656 -21.719 1.00 0.00 C ATOM 594 SG CYS A 62 -15.384 -25.484 -23.511 1.00 0.00 S ATOM 0 H CYS A 62 -12.548 -24.777 -22.562 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.643 -26.249 -20.222 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.773 -26.408 -21.330 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.343 -24.712 -21.238 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.370 -24.886 -24.063 1.00 0.00 H new ATOM 599 N GLY A 63 -11.866 -27.380 -22.381 1.00 0.00 N ATOM 600 CA GLY A 63 -11.225 -28.566 -23.011 1.00 0.00 C ATOM 601 C GLY A 63 -11.888 -29.061 -24.301 1.00 0.00 C ATOM 602 O GLY A 63 -11.562 -30.142 -24.791 1.00 0.00 O ATOM 0 H GLY A 63 -11.238 -26.582 -22.290 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.184 -28.324 -23.227 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.220 -29.382 -22.288 1.00 0.00 H new ATOM 606 N ALA A 64 -12.784 -28.236 -24.861 1.00 0.00 N ATOM 607 CA ALA A 64 -13.633 -28.597 -26.014 1.00 0.00 C ATOM 608 C ALA A 64 -12.807 -28.704 -27.318 1.00 0.00 C ATOM 609 O ALA A 64 -11.830 -27.956 -27.479 1.00 0.00 O ATOM 610 CB ALA A 64 -14.753 -27.550 -26.158 1.00 0.00 C ATOM 0 H ALA A 64 -12.944 -27.287 -24.525 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.071 -29.579 -25.835 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.385 -27.808 -27.007 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.355 -27.534 -25.249 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.313 -26.566 -26.319 1.00 0.00 H new ATOM 616 N PRO A 65 -13.202 -29.619 -28.280 1.00 0.00 N ATOM 617 CA PRO A 65 -12.445 -29.852 -29.529 1.00 0.00 C ATOM 618 C PRO A 65 -12.382 -28.588 -30.409 1.00 0.00 C ATOM 619 O PRO A 65 -13.408 -28.124 -30.927 1.00 0.00 O ATOM 620 CB PRO A 65 -13.214 -31.007 -30.239 1.00 0.00 C ATOM 621 CG PRO A 65 -14.085 -31.606 -29.172 1.00 0.00 C ATOM 622 CD PRO A 65 -14.420 -30.475 -28.236 1.00 0.00 C ATOM 0 HA PRO A 65 -11.404 -30.107 -29.333 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.810 -30.632 -31.071 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.526 -31.747 -30.648 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.988 -32.039 -29.602 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.566 -32.408 -28.647 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.306 -29.931 -28.564 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.622 -30.835 -27.227 1.00 0.00 H new ATOM 630 N ILE A 66 -11.177 -28.012 -30.502 1.00 0.00 N ATOM 631 CA ILE A 66 -10.883 -26.858 -31.360 1.00 0.00 C ATOM 632 C ILE A 66 -11.052 -27.255 -32.844 1.00 0.00 C ATOM 633 O ILE A 66 -10.405 -28.214 -33.287 1.00 0.00 O ATOM 634 CB ILE A 66 -9.416 -26.345 -31.084 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.267 -25.876 -29.610 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.995 -25.224 -32.067 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.865 -24.532 -29.302 1.00 0.00 C ATOM 0 H ILE A 66 -10.367 -28.340 -29.975 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.580 -26.051 -31.134 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.742 -27.185 -31.251 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.730 -26.619 -28.961 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.207 -25.850 -29.359 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.979 -24.903 -31.839 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.035 -25.602 -33.089 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.674 -24.378 -31.966 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.708 -24.297 -28.249 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.387 -23.771 -29.919 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.934 -24.552 -29.514 1.00 0.00 H new ATOM 649 N PRO A 67 -11.940 -26.561 -33.627 1.00 0.00 N ATOM 650 CA PRO A 67 -12.073 -26.817 -35.069 1.00 0.00 C ATOM 651 C PRO A 67 -10.897 -26.183 -35.842 1.00 0.00 C ATOM 652 O PRO A 67 -10.388 -25.110 -35.463 1.00 0.00 O ATOM 653 CB PRO A 67 -13.430 -26.162 -35.428 1.00 0.00 C ATOM 654 CG PRO A 67 -13.591 -25.051 -34.441 1.00 0.00 C ATOM 655 CD PRO A 67 -12.868 -25.490 -33.175 1.00 0.00 C ATOM 0 HA PRO A 67 -12.048 -27.875 -35.329 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.429 -25.785 -36.451 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.247 -26.879 -35.353 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.168 -24.124 -34.828 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.645 -24.861 -34.240 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.326 -24.661 -32.720 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.568 -25.862 -32.427 1.00 0.00 H new ATOM 663 N GLN A 68 -10.481 -26.857 -36.921 1.00 0.00 N ATOM 664 CA GLN A 68 -9.364 -26.415 -37.771 1.00 0.00 C ATOM 665 C GLN A 68 -9.696 -25.090 -38.499 1.00 0.00 C ATOM 666 O GLN A 68 -8.793 -24.392 -38.960 1.00 0.00 O ATOM 667 CB GLN A 68 -8.979 -27.533 -38.775 1.00 0.00 C ATOM 668 CG GLN A 68 -10.140 -28.036 -39.687 1.00 0.00 C ATOM 669 CD GLN A 68 -9.887 -27.871 -41.189 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.239 -26.785 -41.599 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.325 -28.694 -41.991 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.910 -27.728 -37.232 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.504 -26.219 -37.131 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.172 -27.167 -39.410 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.584 -28.381 -38.216 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.320 -29.090 -39.476 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.051 -27.498 -39.424 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.819 -29.521 -41.655 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.194 -28.550 -42.992 1.00 0.00 H new ATOM 680 N ALA A 69 -11.007 -24.762 -38.565 1.00 0.00 N ATOM 681 CA ALA A 69 -11.506 -23.467 -39.069 1.00 0.00 C ATOM 682 C ALA A 69 -10.947 -22.307 -38.221 1.00 0.00 C ATOM 683 O ALA A 69 -10.504 -21.290 -38.756 1.00 0.00 O ATOM 684 CB ALA A 69 -13.048 -23.449 -39.060 1.00 0.00 C ATOM 0 H ALA A 69 -11.750 -25.394 -38.268 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.163 -23.338 -40.096 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.403 -22.489 -39.434 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.425 -24.248 -39.698 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.408 -23.597 -38.042 1.00 0.00 H new ATOM 690 N ARG A 70 -10.965 -22.492 -36.885 1.00 0.00 N ATOM 691 CA ARG A 70 -10.436 -21.507 -35.916 1.00 0.00 C ATOM 692 C ARG A 70 -8.900 -21.451 -35.962 1.00 0.00 C ATOM 693 O ARG A 70 -8.314 -20.408 -35.694 1.00 0.00 O ATOM 694 CB ARG A 70 -10.920 -21.837 -34.474 1.00 0.00 C ATOM 695 CG ARG A 70 -12.441 -21.648 -34.218 1.00 0.00 C ATOM 696 CD ARG A 70 -12.889 -20.172 -34.108 1.00 0.00 C ATOM 697 NE ARG A 70 -12.789 -19.431 -35.383 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.631 -18.104 -35.495 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.604 -17.330 -34.418 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.533 -17.554 -36.687 1.00 0.00 N ATOM 0 H ARG A 70 -11.347 -23.330 -36.446 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.821 -20.527 -36.197 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.657 -22.871 -34.249 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.371 -21.209 -33.773 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.996 -22.125 -35.026 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.710 -22.167 -33.298 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.920 -20.138 -33.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.280 -19.670 -33.356 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.845 -19.972 -36.246 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.704 -17.743 -33.491 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.483 -16.322 -34.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.577 -18.137 -37.523 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.413 -16.545 -36.775 1.00 0.00 H new ATOM 714 N ARG A 71 -8.270 -22.596 -36.275 1.00 0.00 N ATOM 715 CA ARG A 71 -6.796 -22.733 -36.290 1.00 0.00 C ATOM 716 C ARG A 71 -6.157 -22.012 -37.493 1.00 0.00 C ATOM 717 O ARG A 71 -5.065 -21.435 -37.372 1.00 0.00 O ATOM 718 CB ARG A 71 -6.398 -24.232 -36.284 1.00 0.00 C ATOM 719 CG ARG A 71 -6.957 -25.009 -35.073 1.00 0.00 C ATOM 720 CD ARG A 71 -6.431 -26.450 -34.970 1.00 0.00 C ATOM 721 NE ARG A 71 -4.977 -26.483 -34.712 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.329 -27.436 -34.038 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.971 -28.486 -33.549 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.029 -27.329 -33.835 1.00 0.00 N ATOM 0 H ARG A 71 -8.763 -23.453 -36.525 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.414 -22.255 -35.388 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.755 -24.699 -37.202 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.311 -24.312 -36.287 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.703 -24.472 -34.159 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.045 -25.032 -35.137 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.955 -26.972 -34.169 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.649 -26.984 -35.895 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.420 -25.712 -35.080 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.978 -28.577 -33.685 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.459 -29.204 -33.037 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.522 -26.520 -34.193 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.532 -28.056 -33.320 1.00 0.00 H new ATOM 738 N GLU A 72 -6.841 -22.058 -38.648 1.00 0.00 N ATOM 739 CA GLU A 72 -6.358 -21.404 -39.888 1.00 0.00 C ATOM 740 C GLU A 72 -6.722 -19.912 -39.877 1.00 0.00 C ATOM 741 O GLU A 72 -5.966 -19.074 -40.392 1.00 0.00 O ATOM 742 CB GLU A 72 -6.930 -22.112 -41.145 1.00 0.00 C ATOM 743 CG GLU A 72 -8.468 -22.110 -41.240 1.00 0.00 C ATOM 744 CD GLU A 72 -9.002 -22.894 -42.445 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.141 -22.306 -43.534 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.267 -24.103 -42.314 1.00 0.00 O ATOM 0 H GLU A 72 -7.733 -22.541 -38.755 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.272 -21.491 -39.927 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.524 -21.629 -42.034 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.580 -23.144 -41.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.882 -22.536 -40.326 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.820 -21.080 -41.300 1.00 0.00 H new ATOM 753 N ALA A 73 -7.893 -19.592 -39.293 1.00 0.00 N ATOM 754 CA ALA A 73 -8.345 -18.202 -39.115 1.00 0.00 C ATOM 755 C ALA A 73 -7.426 -17.464 -38.124 1.00 0.00 C ATOM 756 O ALA A 73 -6.999 -16.334 -38.375 1.00 0.00 O ATOM 757 CB ALA A 73 -9.807 -18.160 -38.637 1.00 0.00 C ATOM 0 H ALA A 73 -8.548 -20.287 -38.934 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.291 -17.696 -40.079 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.119 -17.123 -38.512 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.445 -18.645 -39.376 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.893 -18.682 -37.684 1.00 0.00 H new ATOM 763 N ILE A 74 -7.113 -18.141 -37.003 1.00 0.00 N ATOM 764 CA ILE A 74 -6.301 -17.581 -35.904 1.00 0.00 C ATOM 765 C ILE A 74 -5.048 -18.462 -35.693 1.00 0.00 C ATOM 766 O ILE A 74 -5.150 -19.531 -35.061 1.00 0.00 O ATOM 767 CB ILE A 74 -7.110 -17.513 -34.550 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.536 -16.923 -34.777 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.329 -16.716 -33.465 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.418 -16.912 -33.542 1.00 0.00 C ATOM 0 H ILE A 74 -7.418 -19.099 -36.833 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.019 -16.566 -36.184 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.230 -18.532 -34.182 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.438 -15.902 -35.147 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.033 -17.499 -35.558 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.912 -16.687 -32.545 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.373 -17.203 -33.274 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.154 -15.699 -33.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.389 -16.485 -33.792 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.552 -17.932 -33.181 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.947 -16.311 -32.764 1.00 0.00 H new ATOM 782 N PRO A 75 -3.860 -18.061 -36.247 1.00 0.00 N ATOM 783 CA PRO A 75 -2.579 -18.745 -35.964 1.00 0.00 C ATOM 784 C PRO A 75 -2.162 -18.546 -34.481 1.00 0.00 C ATOM 785 O PRO A 75 -1.440 -17.600 -34.133 1.00 0.00 O ATOM 786 CB PRO A 75 -1.590 -18.085 -36.968 1.00 0.00 C ATOM 787 CG PRO A 75 -2.184 -16.736 -37.254 1.00 0.00 C ATOM 788 CD PRO A 75 -3.683 -16.936 -37.210 1.00 0.00 C ATOM 0 HA PRO A 75 -2.620 -19.827 -36.090 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.592 -17.996 -36.540 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.495 -18.677 -37.878 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.864 -16.002 -36.515 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.866 -16.366 -38.229 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.198 -16.036 -36.874 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.083 -17.183 -38.193 1.00 0.00 H new ATOM 796 N GLY A 76 -2.698 -19.422 -33.616 1.00 0.00 N ATOM 797 CA GLY A 76 -2.466 -19.364 -32.168 1.00 0.00 C ATOM 798 C GLY A 76 -3.767 -19.309 -31.368 1.00 0.00 C ATOM 799 O GLY A 76 -3.815 -18.672 -30.305 1.00 0.00 O ATOM 0 H GLY A 76 -3.305 -20.190 -33.903 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.891 -20.237 -31.860 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.863 -18.487 -31.935 1.00 0.00 H new ATOM 803 N VAL A 77 -4.825 -19.984 -31.871 1.00 0.00 N ATOM 804 CA VAL A 77 -6.125 -20.048 -31.176 1.00 0.00 C ATOM 805 C VAL A 77 -6.026 -20.979 -29.952 1.00 0.00 C ATOM 806 O VAL A 77 -5.352 -22.014 -29.994 1.00 0.00 O ATOM 807 CB VAL A 77 -7.308 -20.503 -32.121 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.132 -21.950 -32.630 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.682 -20.325 -31.426 1.00 0.00 C ATOM 0 H VAL A 77 -4.801 -20.491 -32.756 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.360 -19.035 -30.848 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.279 -19.851 -32.994 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.971 -22.214 -33.275 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.203 -22.027 -33.194 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.098 -22.633 -31.781 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.475 -20.646 -32.101 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.711 -20.928 -30.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.827 -19.276 -31.169 1.00 0.00 H new ATOM 819 N ARG A 78 -6.683 -20.563 -28.860 1.00 0.00 N ATOM 820 CA ARG A 78 -6.707 -21.287 -27.574 1.00 0.00 C ATOM 821 C ARG A 78 -8.147 -21.409 -27.034 1.00 0.00 C ATOM 822 O ARG A 78 -8.375 -21.934 -25.944 1.00 0.00 O ATOM 823 CB ARG A 78 -5.721 -20.619 -26.533 1.00 0.00 C ATOM 824 CG ARG A 78 -5.277 -19.157 -26.837 1.00 0.00 C ATOM 825 CD ARG A 78 -6.416 -18.126 -26.735 1.00 0.00 C ATOM 826 NE ARG A 78 -6.033 -16.827 -27.316 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.549 -15.634 -26.989 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.411 -15.505 -25.996 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.171 -14.561 -27.650 1.00 0.00 N ATOM 0 H ARG A 78 -7.224 -19.698 -28.842 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.349 -22.303 -27.741 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.198 -20.634 -25.553 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.828 -21.239 -26.462 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.483 -18.877 -26.144 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.853 -19.117 -27.840 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.299 -18.508 -27.248 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.690 -17.990 -25.689 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.308 -16.837 -28.033 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.697 -16.324 -25.460 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.790 -14.586 -25.766 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.490 -14.641 -28.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.559 -13.649 -27.407 1.00 0.00 H new ATOM 843 N LEU A 79 -9.119 -20.968 -27.845 1.00 0.00 N ATOM 844 CA LEU A 79 -10.546 -20.911 -27.463 1.00 0.00 C ATOM 845 C LEU A 79 -11.397 -21.644 -28.513 1.00 0.00 C ATOM 846 O LEU A 79 -11.256 -21.379 -29.715 1.00 0.00 O ATOM 847 CB LEU A 79 -10.992 -19.428 -27.370 1.00 0.00 C ATOM 848 CG LEU A 79 -10.159 -18.548 -26.396 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.443 -17.050 -26.601 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.404 -18.966 -24.940 1.00 0.00 C ATOM 0 H LEU A 79 -8.940 -20.637 -28.793 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.682 -21.395 -26.496 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.943 -18.987 -28.366 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.036 -19.398 -27.059 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.105 -18.710 -26.622 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.843 -16.467 -25.903 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.188 -16.768 -27.622 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.500 -16.852 -26.423 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.811 -18.337 -24.276 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.461 -18.850 -24.701 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.114 -20.008 -24.807 1.00 0.00 H new ATOM 862 N CYS A 80 -12.261 -22.584 -28.057 1.00 0.00 N ATOM 863 CA CYS A 80 -13.228 -23.285 -28.945 1.00 0.00 C ATOM 864 C CYS A 80 -14.230 -22.268 -29.456 1.00 0.00 C ATOM 865 O CYS A 80 -14.433 -21.267 -28.782 1.00 0.00 O ATOM 866 CB CYS A 80 -13.949 -24.433 -28.200 1.00 0.00 C ATOM 867 SG CYS A 80 -15.199 -23.890 -26.996 1.00 0.00 S ATOM 0 H CYS A 80 -12.310 -22.876 -27.081 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.691 -23.735 -29.780 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.429 -25.080 -28.935 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.204 -25.037 -27.682 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.067 -24.571 -25.896 1.00 0.00 H new ATOM 872 N ILE A 81 -14.890 -22.552 -30.594 1.00 0.00 N ATOM 873 CA ILE A 81 -15.715 -21.568 -31.344 1.00 0.00 C ATOM 874 C ILE A 81 -16.750 -20.833 -30.440 1.00 0.00 C ATOM 875 O ILE A 81 -17.072 -19.666 -30.672 1.00 0.00 O ATOM 876 CB ILE A 81 -16.431 -22.280 -32.559 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.275 -21.269 -33.403 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.290 -23.491 -32.088 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.948 -21.867 -34.619 1.00 0.00 C ATOM 0 H ILE A 81 -14.870 -23.475 -31.027 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.040 -20.800 -31.722 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.650 -22.671 -33.211 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.039 -20.830 -32.761 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.625 -20.456 -33.727 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.767 -23.956 -32.951 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.650 -24.220 -31.591 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.055 -23.146 -31.392 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.510 -21.093 -35.142 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.192 -22.280 -35.287 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.628 -22.660 -34.306 1.00 0.00 H new ATOM 891 N HIS A 82 -17.174 -21.510 -29.360 1.00 0.00 N ATOM 892 CA HIS A 82 -18.141 -20.980 -28.379 1.00 0.00 C ATOM 893 C HIS A 82 -17.465 -19.953 -27.451 1.00 0.00 C ATOM 894 O HIS A 82 -17.930 -18.815 -27.338 1.00 0.00 O ATOM 895 CB HIS A 82 -18.758 -22.148 -27.570 1.00 0.00 C ATOM 896 CG HIS A 82 -19.323 -23.219 -28.456 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.601 -23.180 -28.964 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.744 -24.321 -28.985 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.778 -24.208 -29.766 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.670 -24.914 -29.793 1.00 0.00 N ATOM 0 H HIS A 82 -16.852 -22.452 -29.139 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.943 -20.466 -28.909 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.996 -22.581 -26.922 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.546 -21.762 -26.923 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.737 -24.667 -28.802 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.683 -24.434 -30.311 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.525 -25.768 -30.331 1.00 0.00 H new ATOM 909 N CYS A 83 -16.334 -20.344 -26.829 1.00 0.00 N ATOM 910 CA CYS A 83 -15.553 -19.438 -25.964 1.00 0.00 C ATOM 911 C CYS A 83 -14.822 -18.373 -26.807 1.00 0.00 C ATOM 912 O CYS A 83 -14.380 -17.376 -26.266 1.00 0.00 O ATOM 913 CB CYS A 83 -14.515 -20.214 -25.114 1.00 0.00 C ATOM 914 SG CYS A 83 -15.188 -21.563 -24.090 1.00 0.00 S ATOM 0 H CYS A 83 -15.941 -21.282 -26.910 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.260 -18.950 -25.292 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.762 -20.631 -25.783 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.004 -19.506 -24.461 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.363 -22.621 -24.826 1.00 0.00 H new ATOM 919 N GLN A 84 -14.670 -18.604 -28.128 1.00 0.00 N ATOM 920 CA GLN A 84 -13.911 -17.699 -29.005 1.00 0.00 C ATOM 921 C GLN A 84 -14.790 -16.518 -29.450 1.00 0.00 C ATOM 922 O GLN A 84 -14.369 -15.379 -29.328 1.00 0.00 O ATOM 923 CB GLN A 84 -13.324 -18.454 -30.246 1.00 0.00 C ATOM 924 CG GLN A 84 -11.957 -17.928 -30.769 1.00 0.00 C ATOM 925 CD GLN A 84 -11.897 -16.408 -30.986 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.232 -15.907 -32.053 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.450 -15.665 -29.978 1.00 0.00 N ATOM 0 H GLN A 84 -15.065 -19.413 -28.608 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.069 -17.310 -28.432 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.213 -19.507 -29.989 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.049 -18.399 -31.058 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.178 -18.212 -30.061 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.728 -18.426 -31.711 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.178 -16.107 -29.100 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.380 -14.653 -30.083 1.00 0.00 H new