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= 0.259 USER MOD Set 1.2: A 62 CYS SG : rot -40:sc= -0.977 USER MOD Set 1.3: A 80 CYS SG : rot 150:sc= -0.596 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.037 X(o=-1.1,f=-1.1) USER MOD Set 1.5: A 83 CYS SG : rot 85:sc= 0.213 USER MOD Single : A 38 THR OG1 : rot 29:sc= 0.0872 USER MOD Single : A 55 SER OG : rot -92:sc= 0.828 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00474 F(o=-0.93,f=-0.0047) USER MOD Single : A 84 GLN : amide:sc= 0.362 K(o=0.36,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 12.570 -20.179 -27.100 1.00 0.00 N ATOM 235 CA THR A 38 13.580 -20.779 -26.198 1.00 0.00 C ATOM 236 C THR A 38 13.130 -20.697 -24.720 1.00 0.00 C ATOM 237 O THR A 38 13.273 -21.661 -23.944 1.00 0.00 O ATOM 238 CB THR A 38 14.958 -20.061 -26.378 1.00 0.00 C ATOM 239 OG1 THR A 38 15.374 -20.154 -27.756 1.00 0.00 O ATOM 240 CG2 THR A 38 16.055 -20.653 -25.468 1.00 0.00 C ATOM 0 HA THR A 38 13.685 -21.831 -26.463 1.00 0.00 H new ATOM 0 HB THR A 38 14.822 -19.019 -26.090 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.584 -20.204 -28.334 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.991 -20.119 -25.632 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.757 -20.550 -24.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.193 -21.708 -25.704 1.00 0.00 H new ATOM 248 N ILE A 39 12.534 -19.541 -24.387 1.00 0.00 N ATOM 249 CA ILE A 39 12.046 -19.226 -23.041 1.00 0.00 C ATOM 250 C ILE A 39 10.900 -20.194 -22.660 1.00 0.00 C ATOM 251 O ILE A 39 10.896 -20.791 -21.577 1.00 0.00 O ATOM 252 CB ILE A 39 11.525 -17.735 -22.968 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.518 -16.734 -23.667 1.00 0.00 C ATOM 254 CG2 ILE A 39 11.232 -17.306 -21.506 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.936 -16.735 -23.122 1.00 0.00 C ATOM 0 H ILE A 39 12.377 -18.789 -25.058 1.00 0.00 H new ATOM 0 HA ILE A 39 12.872 -19.341 -22.339 1.00 0.00 H new ATOM 0 HB ILE A 39 10.585 -17.698 -23.519 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.556 -16.969 -24.731 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.113 -15.726 -23.578 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.876 -16.276 -21.494 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.469 -17.959 -21.081 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.145 -17.382 -20.915 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.538 -16.011 -23.672 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.920 -16.466 -22.066 1.00 0.00 H new ATOM 0 HD13 ILE A 39 14.369 -17.729 -23.237 1.00 0.00 H new ATOM 267 N GLU A 40 9.962 -20.377 -23.607 1.00 0.00 N ATOM 268 CA GLU A 40 8.721 -21.144 -23.380 1.00 0.00 C ATOM 269 C GLU A 40 8.968 -22.662 -23.532 1.00 0.00 C ATOM 270 O GLU A 40 8.186 -23.465 -23.027 1.00 0.00 O ATOM 271 CB GLU A 40 7.595 -20.628 -24.326 1.00 0.00 C ATOM 272 CG GLU A 40 7.670 -21.095 -25.789 1.00 0.00 C ATOM 273 CD GLU A 40 6.680 -20.357 -26.713 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.923 -19.161 -27.012 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.662 -20.952 -27.132 1.00 0.00 O ATOM 0 H GLU A 40 10.042 -19.998 -24.551 1.00 0.00 H new ATOM 0 HA GLU A 40 8.389 -20.987 -22.354 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.634 -20.939 -23.916 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.610 -19.538 -24.313 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.684 -20.945 -26.160 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.469 -22.165 -25.833 1.00 0.00 H new ATOM 282 N ASP A 41 10.080 -23.042 -24.209 1.00 0.00 N ATOM 283 CA ASP A 41 10.529 -24.455 -24.319 1.00 0.00 C ATOM 284 C ASP A 41 10.968 -24.964 -22.951 1.00 0.00 C ATOM 285 O ASP A 41 10.667 -26.096 -22.581 1.00 0.00 O ATOM 286 CB ASP A 41 11.706 -24.626 -25.335 1.00 0.00 C ATOM 287 CG ASP A 41 11.244 -24.692 -26.800 1.00 0.00 C ATOM 288 OD1 ASP A 41 10.579 -25.688 -27.172 1.00 0.00 O ATOM 289 OD2 ASP A 41 11.564 -23.787 -27.595 1.00 0.00 O ATOM 0 H ASP A 41 10.689 -22.382 -24.692 1.00 0.00 H new ATOM 0 HA ASP A 41 9.683 -25.036 -24.688 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.401 -23.794 -25.218 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.255 -25.536 -25.094 1.00 0.00 H new ATOM 294 N ALA A 42 11.689 -24.098 -22.218 1.00 0.00 N ATOM 295 CA ALA A 42 12.187 -24.397 -20.863 1.00 0.00 C ATOM 296 C ALA A 42 11.019 -24.667 -19.893 1.00 0.00 C ATOM 297 O ALA A 42 11.077 -25.588 -19.071 1.00 0.00 O ATOM 298 CB ALA A 42 13.070 -23.245 -20.355 1.00 0.00 C ATOM 0 H ALA A 42 11.944 -23.168 -22.549 1.00 0.00 H new ATOM 0 HA ALA A 42 12.794 -25.301 -20.910 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.431 -23.478 -19.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.919 -23.114 -21.026 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.486 -22.325 -20.325 1.00 0.00 H new ATOM 304 N ILE A 43 9.948 -23.867 -20.024 1.00 0.00 N ATOM 305 CA ILE A 43 8.744 -23.971 -19.175 1.00 0.00 C ATOM 306 C ILE A 43 7.904 -25.216 -19.563 1.00 0.00 C ATOM 307 O ILE A 43 7.363 -25.924 -18.693 1.00 0.00 O ATOM 308 CB ILE A 43 7.868 -22.658 -19.288 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.718 -21.376 -18.983 1.00 0.00 C ATOM 310 CG2 ILE A 43 6.628 -22.719 -18.361 1.00 0.00 C ATOM 311 CD1 ILE A 43 9.296 -21.305 -17.572 1.00 0.00 C ATOM 0 H ILE A 43 9.890 -23.127 -20.723 1.00 0.00 H new ATOM 0 HA ILE A 43 9.067 -24.084 -18.140 1.00 0.00 H new ATOM 0 HB ILE A 43 7.516 -22.597 -20.318 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.539 -21.324 -19.698 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.095 -20.497 -19.149 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.050 -21.801 -18.465 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.008 -23.571 -18.639 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.952 -22.828 -17.326 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.867 -20.383 -17.459 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.484 -21.321 -16.845 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.951 -22.160 -17.403 1.00 0.00 H new ATOM 323 N ALA A 44 7.829 -25.480 -20.878 1.00 0.00 N ATOM 324 CA ALA A 44 7.022 -26.578 -21.439 1.00 0.00 C ATOM 325 C ALA A 44 7.646 -27.957 -21.142 1.00 0.00 C ATOM 326 O ALA A 44 6.928 -28.920 -20.863 1.00 0.00 O ATOM 327 CB ALA A 44 6.842 -26.380 -22.947 1.00 0.00 C ATOM 0 H ALA A 44 8.327 -24.937 -21.584 1.00 0.00 H new ATOM 0 HA ALA A 44 6.045 -26.555 -20.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.244 -27.196 -23.352 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.335 -25.433 -23.132 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.818 -26.370 -23.432 1.00 0.00 H new ATOM 333 N ARG A 45 8.985 -28.041 -21.190 1.00 0.00 N ATOM 334 CA ARG A 45 9.711 -29.307 -20.943 1.00 0.00 C ATOM 335 C ARG A 45 9.756 -29.624 -19.440 1.00 0.00 C ATOM 336 O ARG A 45 9.908 -30.786 -19.046 1.00 0.00 O ATOM 337 CB ARG A 45 11.145 -29.246 -21.539 1.00 0.00 C ATOM 338 CG ARG A 45 12.144 -28.363 -20.757 1.00 0.00 C ATOM 339 CD ARG A 45 13.468 -28.146 -21.508 1.00 0.00 C ATOM 340 NE ARG A 45 14.470 -27.454 -20.669 1.00 0.00 N ATOM 341 CZ ARG A 45 15.512 -26.742 -21.128 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.656 -26.502 -22.426 1.00 0.00 N ATOM 343 NH2 ARG A 45 16.401 -26.257 -20.275 1.00 0.00 N ATOM 0 H ARG A 45 9.592 -27.248 -21.398 1.00 0.00 H new ATOM 0 HA ARG A 45 9.172 -30.112 -21.443 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.543 -30.259 -21.591 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.081 -28.876 -22.562 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.684 -27.396 -20.555 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.351 -28.825 -19.792 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.866 -29.109 -21.829 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.283 -27.561 -22.409 1.00 0.00 H new ATOM 0 HE ARG A 45 14.361 -27.523 -19.657 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.970 -26.860 -23.090 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.453 -25.959 -22.759 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.292 -26.425 -19.275 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.194 -25.716 -20.618 1.00 0.00 H new ATOM 357 N ALA A 46 9.617 -28.575 -18.611 1.00 0.00 N ATOM 358 CA ALA A 46 9.678 -28.688 -17.154 1.00 0.00 C ATOM 359 C ALA A 46 8.394 -29.320 -16.592 1.00 0.00 C ATOM 360 O ALA A 46 8.443 -30.366 -15.932 1.00 0.00 O ATOM 361 CB ALA A 46 9.916 -27.304 -16.534 1.00 0.00 C ATOM 0 H ALA A 46 9.459 -27.623 -18.940 1.00 0.00 H new ATOM 0 HA ALA A 46 10.510 -29.342 -16.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.961 -27.394 -15.449 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.857 -26.897 -16.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.099 -26.637 -16.809 1.00 0.00 H new ATOM 367 N ARG A 47 7.238 -28.690 -16.888 1.00 0.00 N ATOM 368 CA ARG A 47 5.942 -29.079 -16.286 1.00 0.00 C ATOM 369 C ARG A 47 4.781 -29.072 -17.304 1.00 0.00 C ATOM 370 O ARG A 47 3.662 -29.457 -16.956 1.00 0.00 O ATOM 371 CB ARG A 47 5.655 -28.167 -15.047 1.00 0.00 C ATOM 372 CG ARG A 47 5.725 -26.626 -15.293 1.00 0.00 C ATOM 373 CD ARG A 47 4.434 -26.031 -15.890 1.00 0.00 C ATOM 374 NE ARG A 47 3.293 -26.119 -14.955 1.00 0.00 N ATOM 375 CZ ARG A 47 2.046 -26.538 -15.254 1.00 0.00 C ATOM 376 NH1 ARG A 47 1.742 -26.978 -16.465 1.00 0.00 N ATOM 377 NH2 ARG A 47 1.109 -26.519 -14.321 1.00 0.00 N ATOM 0 H ARG A 47 7.174 -27.909 -17.541 1.00 0.00 H new ATOM 0 HA ARG A 47 6.015 -30.114 -15.952 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.662 -28.408 -14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.367 -28.421 -14.262 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.941 -26.126 -14.349 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.557 -26.412 -15.964 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.605 -24.987 -16.154 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.187 -26.556 -16.812 1.00 0.00 H new ATOM 0 HE ARG A 47 3.465 -25.836 -13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.457 -27.005 -17.192 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.793 -27.290 -16.671 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.331 -26.189 -13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.164 -26.834 -14.541 1.00 0.00 H new ATOM 391 N GLY A 48 5.057 -28.651 -18.554 1.00 0.00 N ATOM 392 CA GLY A 48 4.040 -28.649 -19.621 1.00 0.00 C ATOM 393 C GLY A 48 2.958 -27.592 -19.435 1.00 0.00 C ATOM 394 O GLY A 48 1.776 -27.925 -19.275 1.00 0.00 O ATOM 0 H GLY A 48 5.972 -28.309 -18.848 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.533 -28.487 -20.580 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.571 -29.632 -19.666 1.00 0.00 H new ATOM 398 N GLU A 49 3.370 -26.316 -19.413 1.00 0.00 N ATOM 399 CA GLU A 49 2.437 -25.170 -19.313 1.00 0.00 C ATOM 400 C GLU A 49 1.948 -24.783 -20.713 1.00 0.00 C ATOM 401 O GLU A 49 0.761 -24.938 -21.041 1.00 0.00 O ATOM 402 CB GLU A 49 3.135 -23.973 -18.622 1.00 0.00 C ATOM 403 CG GLU A 49 2.284 -22.688 -18.512 1.00 0.00 C ATOM 404 CD GLU A 49 3.051 -21.513 -17.883 1.00 0.00 C ATOM 405 OE1 GLU A 49 3.753 -20.791 -18.626 1.00 0.00 O ATOM 406 OE2 GLU A 49 2.985 -21.325 -16.648 1.00 0.00 O ATOM 0 H GLU A 49 4.352 -26.044 -19.463 1.00 0.00 H new ATOM 0 HA GLU A 49 1.576 -25.455 -18.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.435 -24.278 -17.619 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.047 -23.739 -19.171 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.940 -22.400 -19.505 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.396 -22.897 -17.915 1.00 0.00 H new ATOM 413 N ILE A 50 2.885 -24.274 -21.533 1.00 0.00 N ATOM 414 CA ILE A 50 2.614 -23.907 -22.922 1.00 0.00 C ATOM 415 C ILE A 50 2.707 -25.169 -23.811 1.00 0.00 C ATOM 416 O ILE A 50 3.615 -25.985 -23.626 1.00 0.00 O ATOM 417 CB ILE A 50 3.594 -22.776 -23.444 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.328 -21.433 -22.677 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.479 -22.563 -24.982 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.981 -20.200 -23.284 1.00 0.00 C ATOM 0 H ILE A 50 3.849 -24.108 -21.245 1.00 0.00 H new ATOM 0 HA ILE A 50 1.606 -23.495 -22.975 1.00 0.00 H new ATOM 0 HB ILE A 50 4.613 -23.106 -23.243 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.252 -21.268 -22.629 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.680 -21.543 -21.651 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.169 -21.779 -25.293 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.728 -23.491 -25.497 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.460 -22.270 -25.234 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.737 -19.325 -22.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.062 -20.335 -23.307 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.612 -20.055 -24.299 1.00 0.00 H new ATOM 492 N SER A 55 -1.731 -22.963 -32.957 1.00 0.00 N ATOM 493 CA SER A 55 -3.150 -23.308 -32.965 1.00 0.00 C ATOM 494 C SER A 55 -3.374 -24.742 -32.449 1.00 0.00 C ATOM 495 O SER A 55 -3.187 -25.719 -33.185 1.00 0.00 O ATOM 496 CB SER A 55 -3.692 -23.150 -34.390 1.00 0.00 C ATOM 497 OG SER A 55 -3.380 -21.866 -34.906 1.00 0.00 O ATOM 0 HA SER A 55 -3.687 -22.636 -32.296 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.266 -23.919 -35.034 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.772 -23.295 -34.392 1.00 0.00 H new ATOM 0 HG SER A 55 -4.120 -21.250 -34.721 1.00 0.00 H new ATOM 503 N LEU A 56 -3.751 -24.840 -31.171 1.00 0.00 N ATOM 504 CA LEU A 56 -3.962 -26.127 -30.475 1.00 0.00 C ATOM 505 C LEU A 56 -5.285 -26.795 -30.917 1.00 0.00 C ATOM 506 O LEU A 56 -6.070 -26.200 -31.672 1.00 0.00 O ATOM 507 CB LEU A 56 -3.879 -25.918 -28.917 1.00 0.00 C ATOM 508 CG LEU A 56 -4.629 -24.679 -28.302 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.144 -24.737 -28.526 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.318 -24.494 -26.799 1.00 0.00 C ATOM 0 H LEU A 56 -3.921 -24.026 -30.580 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.166 -26.816 -30.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.267 -26.816 -28.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.826 -25.841 -28.645 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.246 -23.810 -28.838 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.611 -23.858 -28.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.353 -24.758 -29.596 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.546 -25.637 -28.060 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.858 -23.627 -26.420 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.629 -25.383 -26.251 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.247 -24.341 -26.665 1.00 0.00 H new ATOM 522 N ASP A 57 -5.535 -28.018 -30.424 1.00 0.00 N ATOM 523 CA ASP A 57 -6.730 -28.818 -30.785 1.00 0.00 C ATOM 524 C ASP A 57 -7.663 -28.985 -29.555 1.00 0.00 C ATOM 525 O ASP A 57 -8.733 -29.598 -29.635 1.00 0.00 O ATOM 526 CB ASP A 57 -6.257 -30.191 -31.333 1.00 0.00 C ATOM 527 CG ASP A 57 -7.372 -31.026 -31.985 1.00 0.00 C ATOM 528 OD1 ASP A 57 -7.763 -30.724 -33.139 1.00 0.00 O ATOM 529 OD2 ASP A 57 -7.885 -31.972 -31.341 1.00 0.00 O ATOM 0 H ASP A 57 -4.917 -28.487 -29.762 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.306 -28.307 -31.556 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.467 -30.025 -32.065 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.819 -30.765 -30.516 1.00 0.00 H new ATOM 534 N GLU A 58 -7.284 -28.339 -28.435 1.00 0.00 N ATOM 535 CA GLU A 58 -7.942 -28.495 -27.112 1.00 0.00 C ATOM 536 C GLU A 58 -8.027 -27.123 -26.419 1.00 0.00 C ATOM 537 O GLU A 58 -7.004 -26.554 -26.039 1.00 0.00 O ATOM 538 CB GLU A 58 -7.162 -29.491 -26.206 1.00 0.00 C ATOM 539 CG GLU A 58 -7.218 -30.958 -26.665 1.00 0.00 C ATOM 540 CD GLU A 58 -6.276 -31.872 -25.866 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.061 -31.902 -26.176 1.00 0.00 O ATOM 542 OE2 GLU A 58 -6.735 -32.535 -24.907 1.00 0.00 O ATOM 0 H GLU A 58 -6.502 -27.684 -28.418 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.943 -28.896 -27.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.119 -29.179 -26.160 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.559 -29.426 -25.193 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.240 -31.325 -26.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.958 -31.013 -27.722 1.00 0.00 H new ATOM 549 N CYS A 59 -9.259 -26.601 -26.312 1.00 0.00 N ATOM 550 CA CYS A 59 -9.590 -25.326 -25.626 1.00 0.00 C ATOM 551 C CYS A 59 -8.970 -25.244 -24.221 1.00 0.00 C ATOM 552 O CYS A 59 -9.075 -26.195 -23.465 1.00 0.00 O ATOM 553 CB CYS A 59 -11.123 -25.250 -25.545 1.00 0.00 C ATOM 554 SG CYS A 59 -11.827 -23.792 -24.737 1.00 0.00 S ATOM 0 H CYS A 59 -10.079 -27.060 -26.708 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.178 -24.487 -26.186 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.520 -25.301 -26.559 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.480 -26.135 -25.019 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.008 -23.553 -25.226 1.00 0.00 H new ATOM 559 N GLU A 60 -8.324 -24.115 -23.862 1.00 0.00 N ATOM 560 CA GLU A 60 -7.704 -23.998 -22.509 1.00 0.00 C ATOM 561 C GLU A 60 -8.752 -23.584 -21.446 1.00 0.00 C ATOM 562 O GLU A 60 -8.480 -23.637 -20.245 1.00 0.00 O ATOM 563 CB GLU A 60 -6.510 -23.012 -22.503 1.00 0.00 C ATOM 564 CG GLU A 60 -6.879 -21.564 -22.853 1.00 0.00 C ATOM 565 CD GLU A 60 -5.769 -20.562 -22.526 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.743 -20.529 -23.242 1.00 0.00 O ATOM 567 OE2 GLU A 60 -5.925 -19.776 -21.576 1.00 0.00 O ATOM 0 H GLU A 60 -8.215 -23.295 -24.459 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.321 -24.985 -22.251 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.047 -23.027 -21.516 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.761 -23.364 -23.212 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.113 -21.503 -23.916 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.782 -21.285 -22.311 1.00 0.00 H new ATOM 574 N GLU A 61 -9.958 -23.216 -21.908 1.00 0.00 N ATOM 575 CA GLU A 61 -11.049 -22.752 -21.029 1.00 0.00 C ATOM 576 C GLU A 61 -11.919 -23.926 -20.571 1.00 0.00 C ATOM 577 O GLU A 61 -12.324 -23.990 -19.410 1.00 0.00 O ATOM 578 CB GLU A 61 -11.935 -21.726 -21.770 1.00 0.00 C ATOM 579 CG GLU A 61 -11.185 -20.502 -22.305 1.00 0.00 C ATOM 580 CD GLU A 61 -10.480 -19.666 -21.221 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.172 -18.919 -20.498 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.237 -19.747 -21.095 1.00 0.00 O ATOM 0 H GLU A 61 -10.206 -23.231 -22.897 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.596 -22.283 -20.156 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.428 -22.227 -22.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.719 -21.387 -21.093 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.443 -20.834 -23.031 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.889 -19.864 -22.839 1.00 0.00 H new ATOM 589 N CYS A 62 -12.222 -24.851 -21.509 1.00 0.00 N ATOM 590 CA CYS A 62 -13.141 -25.979 -21.221 1.00 0.00 C ATOM 591 C CYS A 62 -12.741 -27.289 -21.944 1.00 0.00 C ATOM 592 O CYS A 62 -13.548 -28.221 -22.019 1.00 0.00 O ATOM 593 CB CYS A 62 -14.606 -25.567 -21.550 1.00 0.00 C ATOM 594 SG CYS A 62 -15.048 -25.451 -23.326 1.00 0.00 S ATOM 0 H CYS A 62 -11.851 -24.842 -22.459 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.064 -26.198 -20.156 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.276 -26.286 -21.079 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -14.800 -24.599 -21.087 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.068 -24.905 -23.982 1.00 0.00 H new ATOM 599 N GLY A 63 -11.483 -27.361 -22.444 1.00 0.00 N ATOM 600 CA GLY A 63 -10.925 -28.558 -23.136 1.00 0.00 C ATOM 601 C GLY A 63 -11.713 -29.037 -24.346 1.00 0.00 C ATOM 602 O GLY A 63 -11.462 -30.131 -24.864 1.00 0.00 O ATOM 0 H GLY A 63 -10.820 -26.588 -22.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.907 -28.332 -23.453 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.862 -29.375 -22.418 1.00 0.00 H new ATOM 606 N ALA A 64 -12.641 -28.199 -24.812 1.00 0.00 N ATOM 607 CA ALA A 64 -13.586 -28.542 -25.875 1.00 0.00 C ATOM 608 C ALA A 64 -12.886 -28.540 -27.249 1.00 0.00 C ATOM 609 O ALA A 64 -12.016 -27.679 -27.481 1.00 0.00 O ATOM 610 CB ALA A 64 -14.763 -27.565 -25.846 1.00 0.00 C ATOM 0 H ALA A 64 -12.758 -27.250 -24.456 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.967 -29.549 -25.707 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.467 -27.820 -26.638 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.264 -27.628 -24.880 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.397 -26.550 -25.999 1.00 0.00 H new ATOM 616 N PRO A 65 -13.244 -29.504 -28.163 1.00 0.00 N ATOM 617 CA PRO A 65 -12.595 -29.655 -29.490 1.00 0.00 C ATOM 618 C PRO A 65 -12.540 -28.345 -30.309 1.00 0.00 C ATOM 619 O PRO A 65 -13.578 -27.791 -30.687 1.00 0.00 O ATOM 620 CB PRO A 65 -13.471 -30.723 -30.197 1.00 0.00 C ATOM 621 CG PRO A 65 -14.035 -31.539 -29.076 1.00 0.00 C ATOM 622 CD PRO A 65 -14.300 -30.545 -27.967 1.00 0.00 C ATOM 0 HA PRO A 65 -11.547 -29.938 -29.390 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.261 -30.261 -30.789 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.880 -31.336 -30.877 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.951 -32.047 -29.379 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.334 -32.310 -28.757 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.301 -30.119 -28.042 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.225 -31.012 -26.985 1.00 0.00 H new ATOM 630 N ILE A 66 -11.309 -27.842 -30.518 1.00 0.00 N ATOM 631 CA ILE A 66 -11.030 -26.667 -31.361 1.00 0.00 C ATOM 632 C ILE A 66 -11.252 -27.027 -32.854 1.00 0.00 C ATOM 633 O ILE A 66 -10.604 -27.953 -33.364 1.00 0.00 O ATOM 634 CB ILE A 66 -9.547 -26.176 -31.145 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.258 -25.907 -29.646 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.240 -24.920 -31.993 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.712 -24.575 -29.130 1.00 0.00 C ATOM 0 H ILE A 66 -10.471 -28.246 -30.100 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.710 -25.863 -31.078 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.888 -26.977 -31.479 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.737 -26.688 -29.056 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.184 -25.995 -29.480 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.210 -24.608 -31.821 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.377 -25.152 -33.049 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.916 -24.114 -31.708 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.461 -24.490 -28.073 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.214 -23.781 -29.686 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.791 -24.485 -29.256 1.00 0.00 H new ATOM 649 N PRO A 67 -12.177 -26.313 -33.575 1.00 0.00 N ATOM 650 CA PRO A 67 -12.433 -26.569 -35.007 1.00 0.00 C ATOM 651 C PRO A 67 -11.354 -25.920 -35.908 1.00 0.00 C ATOM 652 O PRO A 67 -10.738 -24.905 -35.527 1.00 0.00 O ATOM 653 CB PRO A 67 -13.827 -25.941 -35.217 1.00 0.00 C ATOM 654 CG PRO A 67 -13.869 -24.795 -34.259 1.00 0.00 C ATOM 655 CD PRO A 67 -13.038 -25.217 -33.058 1.00 0.00 C ATOM 0 HA PRO A 67 -12.398 -27.626 -35.273 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.960 -25.604 -36.245 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.621 -26.659 -35.012 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.464 -23.891 -34.715 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.894 -24.571 -33.964 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.441 -24.389 -32.676 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.669 -25.560 -32.238 1.00 0.00 H new ATOM 663 N GLN A 68 -11.150 -26.507 -37.106 1.00 0.00 N ATOM 664 CA GLN A 68 -10.093 -26.090 -38.049 1.00 0.00 C ATOM 665 C GLN A 68 -10.256 -24.626 -38.478 1.00 0.00 C ATOM 666 O GLN A 68 -9.267 -23.963 -38.777 1.00 0.00 O ATOM 667 CB GLN A 68 -10.062 -27.032 -39.295 1.00 0.00 C ATOM 668 CG GLN A 68 -11.312 -26.962 -40.226 1.00 0.00 C ATOM 669 CD GLN A 68 -11.112 -26.196 -41.558 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.186 -25.242 -41.619 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.789 -26.485 -42.544 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.715 -27.285 -37.446 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.139 -26.172 -37.528 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.178 -26.794 -39.886 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.947 -28.059 -38.949 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.629 -27.979 -40.457 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.127 -26.492 -39.676 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.495 -27.219 -42.481 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.644 -25.991 -43.425 1.00 0.00 H new ATOM 680 N ALA A 69 -11.515 -24.140 -38.487 1.00 0.00 N ATOM 681 CA ALA A 69 -11.859 -22.756 -38.861 1.00 0.00 C ATOM 682 C ALA A 69 -11.148 -21.748 -37.940 1.00 0.00 C ATOM 683 O ALA A 69 -10.568 -20.773 -38.404 1.00 0.00 O ATOM 684 CB ALA A 69 -13.385 -22.559 -38.812 1.00 0.00 C ATOM 0 H ALA A 69 -12.326 -24.703 -38.233 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.517 -22.576 -39.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.629 -21.534 -39.090 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.863 -23.247 -39.509 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.745 -22.757 -37.802 1.00 0.00 H new ATOM 690 N ARG A 70 -11.173 -22.032 -36.627 1.00 0.00 N ATOM 691 CA ARG A 70 -10.541 -21.172 -35.609 1.00 0.00 C ATOM 692 C ARG A 70 -9.009 -21.305 -35.656 1.00 0.00 C ATOM 693 O ARG A 70 -8.289 -20.347 -35.374 1.00 0.00 O ATOM 694 CB ARG A 70 -11.096 -21.502 -34.198 1.00 0.00 C ATOM 695 CG ARG A 70 -12.633 -21.329 -34.039 1.00 0.00 C ATOM 696 CD ARG A 70 -13.137 -19.871 -34.226 1.00 0.00 C ATOM 697 NE ARG A 70 -13.118 -19.421 -35.634 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.827 -18.174 -36.051 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.507 -17.217 -35.187 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.845 -17.901 -37.340 1.00 0.00 N ATOM 0 H ARG A 70 -11.629 -22.859 -36.242 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.788 -20.134 -35.831 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.834 -22.531 -33.953 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.596 -20.864 -33.469 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.135 -21.970 -34.763 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.925 -21.677 -33.048 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.154 -19.793 -33.841 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.518 -19.201 -33.629 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.344 -20.112 -36.349 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.478 -17.421 -34.188 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.290 -16.279 -35.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.078 -18.631 -38.013 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.626 -16.959 -37.665 1.00 0.00 H new ATOM 714 N ARG A 71 -8.532 -22.507 -36.025 1.00 0.00 N ATOM 715 CA ARG A 71 -7.092 -22.819 -36.086 1.00 0.00 C ATOM 716 C ARG A 71 -6.396 -22.092 -37.259 1.00 0.00 C ATOM 717 O ARG A 71 -5.298 -21.550 -37.089 1.00 0.00 O ATOM 718 CB ARG A 71 -6.873 -24.357 -36.173 1.00 0.00 C ATOM 719 CG ARG A 71 -7.500 -25.135 -35.000 1.00 0.00 C ATOM 720 CD ARG A 71 -7.205 -26.648 -35.003 1.00 0.00 C ATOM 721 NE ARG A 71 -5.833 -26.962 -34.556 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.293 -28.193 -34.537 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.955 -29.236 -35.023 1.00 0.00 N ATOM 724 NH2 ARG A 71 -4.087 -28.372 -34.023 1.00 0.00 N ATOM 0 H ARG A 71 -9.132 -23.288 -36.289 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.634 -22.455 -35.167 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.295 -24.724 -37.109 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.803 -24.562 -36.204 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.138 -24.709 -34.064 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.580 -24.989 -35.020 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.919 -27.155 -34.354 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.354 -27.041 -36.009 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.251 -26.187 -34.238 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.887 -29.110 -35.418 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.532 -30.164 -35.001 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.571 -27.578 -33.643 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.673 -29.304 -34.006 1.00 0.00 H new ATOM 738 N GLU A 72 -7.039 -22.066 -38.443 1.00 0.00 N ATOM 739 CA GLU A 72 -6.442 -21.452 -39.654 1.00 0.00 C ATOM 740 C GLU A 72 -6.637 -19.929 -39.666 1.00 0.00 C ATOM 741 O GLU A 72 -5.810 -19.196 -40.221 1.00 0.00 O ATOM 742 CB GLU A 72 -6.977 -22.119 -40.956 1.00 0.00 C ATOM 743 CG GLU A 72 -8.510 -22.090 -41.189 1.00 0.00 C ATOM 744 CD GLU A 72 -9.081 -20.763 -41.735 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.442 -20.138 -42.615 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.184 -20.356 -41.306 1.00 0.00 O ATOM 0 H GLU A 72 -7.968 -22.460 -38.590 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.368 -21.636 -39.621 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.497 -21.634 -41.806 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.654 -23.160 -40.959 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.768 -22.888 -41.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.006 -22.317 -40.245 1.00 0.00 H new ATOM 753 N ALA A 73 -7.746 -19.469 -39.062 1.00 0.00 N ATOM 754 CA ALA A 73 -8.029 -18.033 -38.898 1.00 0.00 C ATOM 755 C ALA A 73 -7.060 -17.405 -37.890 1.00 0.00 C ATOM 756 O ALA A 73 -6.482 -16.344 -38.142 1.00 0.00 O ATOM 757 CB ALA A 73 -9.491 -17.811 -38.460 1.00 0.00 C ATOM 0 H ALA A 73 -8.467 -20.078 -38.676 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.886 -17.544 -39.862 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.678 -16.743 -38.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.163 -18.218 -39.216 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.667 -18.315 -37.509 1.00 0.00 H new ATOM 763 N ILE A 74 -6.860 -18.091 -36.754 1.00 0.00 N ATOM 764 CA ILE A 74 -6.073 -17.562 -35.626 1.00 0.00 C ATOM 765 C ILE A 74 -4.835 -18.456 -35.385 1.00 0.00 C ATOM 766 O ILE A 74 -4.976 -19.554 -34.827 1.00 0.00 O ATOM 767 CB ILE A 74 -6.939 -17.488 -34.313 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.307 -16.788 -34.594 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.171 -16.769 -33.170 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.248 -16.731 -33.409 1.00 0.00 C ATOM 0 H ILE A 74 -7.237 -19.025 -36.590 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.752 -16.552 -35.880 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.138 -18.508 -33.985 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.115 -15.771 -34.936 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.805 -17.311 -35.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.796 -16.734 -32.278 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.253 -17.314 -32.949 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.924 -15.754 -33.480 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.170 -16.228 -33.700 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.477 -17.744 -33.077 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.776 -16.180 -32.595 1.00 0.00 H new ATOM 782 N PRO A 75 -3.613 -18.023 -35.834 1.00 0.00 N ATOM 783 CA PRO A 75 -2.349 -18.708 -35.494 1.00 0.00 C ATOM 784 C PRO A 75 -2.010 -18.496 -34.001 1.00 0.00 C ATOM 785 O PRO A 75 -1.570 -17.410 -33.590 1.00 0.00 O ATOM 786 CB PRO A 75 -1.315 -18.057 -36.444 1.00 0.00 C ATOM 787 CG PRO A 75 -1.872 -16.699 -36.741 1.00 0.00 C ATOM 788 CD PRO A 75 -3.380 -16.855 -36.723 1.00 0.00 C ATOM 0 HA PRO A 75 -2.383 -19.790 -35.623 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.334 -17.988 -35.974 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.191 -18.642 -37.355 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.546 -15.972 -35.997 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.528 -16.339 -37.711 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.869 -15.959 -36.340 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.775 -17.031 -37.724 1.00 0.00 H new ATOM 796 N GLY A 76 -2.276 -19.530 -33.199 1.00 0.00 N ATOM 797 CA GLY A 76 -2.167 -19.447 -31.741 1.00 0.00 C ATOM 798 C GLY A 76 -3.530 -19.313 -31.077 1.00 0.00 C ATOM 799 O GLY A 76 -3.672 -18.606 -30.067 1.00 0.00 O ATOM 0 H GLY A 76 -2.572 -20.445 -33.540 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.665 -20.338 -31.363 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.546 -18.593 -31.471 1.00 0.00 H new ATOM 803 N VAL A 77 -4.549 -19.983 -31.662 1.00 0.00 N ATOM 804 CA VAL A 77 -5.889 -20.059 -31.060 1.00 0.00 C ATOM 805 C VAL A 77 -5.829 -20.917 -29.787 1.00 0.00 C ATOM 806 O VAL A 77 -5.081 -21.894 -29.733 1.00 0.00 O ATOM 807 CB VAL A 77 -6.974 -20.629 -32.053 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.704 -22.099 -32.444 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.404 -20.472 -31.476 1.00 0.00 C ATOM 0 H VAL A 77 -4.463 -20.477 -32.550 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.196 -19.042 -30.814 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.901 -20.034 -32.964 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.480 -22.442 -33.128 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.732 -22.173 -32.931 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.710 -22.721 -31.549 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.128 -20.874 -32.184 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.478 -21.015 -30.534 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.613 -19.416 -31.304 1.00 0.00 H new ATOM 819 N ARG A 78 -6.590 -20.511 -28.761 1.00 0.00 N ATOM 820 CA ARG A 78 -6.675 -21.229 -27.472 1.00 0.00 C ATOM 821 C ARG A 78 -8.127 -21.293 -26.960 1.00 0.00 C ATOM 822 O ARG A 78 -8.390 -21.639 -25.799 1.00 0.00 O ATOM 823 CB ARG A 78 -5.664 -20.615 -26.449 1.00 0.00 C ATOM 824 CG ARG A 78 -5.413 -19.088 -26.558 1.00 0.00 C ATOM 825 CD ARG A 78 -6.612 -18.230 -26.141 1.00 0.00 C ATOM 826 NE ARG A 78 -6.935 -18.383 -24.709 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.641 -17.515 -23.969 1.00 0.00 C ATOM 828 NH1 ARG A 78 -8.112 -16.399 -24.499 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.879 -17.774 -22.700 1.00 0.00 N ATOM 0 H ARG A 78 -7.168 -19.672 -28.798 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.379 -22.268 -27.614 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.023 -20.831 -25.443 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.709 -21.127 -26.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.557 -18.825 -25.936 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.146 -18.846 -27.587 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.399 -17.182 -26.354 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.480 -18.506 -26.739 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.591 -19.222 -24.241 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.940 -16.189 -25.482 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.647 -15.748 -23.925 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.527 -18.634 -22.280 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.416 -17.114 -22.137 1.00 0.00 H new ATOM 843 N LEU A 79 -9.079 -21.029 -27.870 1.00 0.00 N ATOM 844 CA LEU A 79 -10.520 -20.957 -27.553 1.00 0.00 C ATOM 845 C LEU A 79 -11.331 -21.746 -28.592 1.00 0.00 C ATOM 846 O LEU A 79 -11.165 -21.533 -29.801 1.00 0.00 O ATOM 847 CB LEU A 79 -10.984 -19.479 -27.576 1.00 0.00 C ATOM 848 CG LEU A 79 -10.284 -18.538 -26.561 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.341 -17.073 -27.012 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.878 -18.709 -25.156 1.00 0.00 C ATOM 0 H LEU A 79 -8.872 -20.858 -28.854 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.682 -21.385 -26.564 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.826 -19.083 -28.579 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.057 -19.451 -27.388 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.233 -18.823 -26.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.840 -16.446 -26.275 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.842 -16.969 -27.976 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.381 -16.762 -27.107 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.371 -18.039 -24.462 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.941 -18.470 -25.179 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.745 -19.740 -24.828 1.00 0.00 H new ATOM 862 N CYS A 80 -12.192 -22.677 -28.121 1.00 0.00 N ATOM 863 CA CYS A 80 -13.153 -23.398 -28.991 1.00 0.00 C ATOM 864 C CYS A 80 -14.203 -22.403 -29.471 1.00 0.00 C ATOM 865 O CYS A 80 -14.408 -21.412 -28.794 1.00 0.00 O ATOM 866 CB CYS A 80 -13.796 -24.588 -28.238 1.00 0.00 C ATOM 867 SG CYS A 80 -14.980 -24.115 -26.933 1.00 0.00 S ATOM 0 H CYS A 80 -12.242 -22.948 -27.139 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.634 -23.819 -29.852 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.308 -25.224 -28.961 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.004 -25.188 -27.790 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.887 -25.039 -26.814 1.00 0.00 H new ATOM 872 N ILE A 81 -14.884 -22.684 -30.604 1.00 0.00 N ATOM 873 CA ILE A 81 -15.712 -21.683 -31.345 1.00 0.00 C ATOM 874 C ILE A 81 -16.761 -20.968 -30.442 1.00 0.00 C ATOM 875 O ILE A 81 -17.147 -19.828 -30.697 1.00 0.00 O ATOM 876 CB ILE A 81 -16.413 -22.351 -32.594 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.094 -21.282 -33.513 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.422 -23.445 -32.159 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.788 -21.843 -34.745 1.00 0.00 C ATOM 0 H ILE A 81 -14.881 -23.607 -31.037 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.025 -20.911 -31.692 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.634 -22.836 -33.181 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.825 -20.730 -32.922 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.338 -20.566 -33.835 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.886 -23.884 -33.042 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.899 -24.221 -31.600 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.191 -23.000 -31.528 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.229 -21.027 -35.318 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.061 -22.369 -35.364 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.572 -22.535 -34.438 1.00 0.00 H new ATOM 891 N HIS A 82 -17.155 -21.644 -29.352 1.00 0.00 N ATOM 892 CA HIS A 82 -18.123 -21.125 -28.363 1.00 0.00 C ATOM 893 C HIS A 82 -17.432 -20.106 -27.428 1.00 0.00 C ATOM 894 O HIS A 82 -17.939 -19.010 -27.213 1.00 0.00 O ATOM 895 CB HIS A 82 -18.744 -22.303 -27.565 1.00 0.00 C ATOM 896 CG HIS A 82 -19.236 -23.416 -28.454 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.485 -23.437 -29.025 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.592 -24.510 -28.926 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.592 -24.493 -29.806 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.459 -25.160 -29.761 1.00 0.00 N ATOM 0 H HIS A 82 -16.809 -22.577 -29.127 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.930 -20.606 -28.880 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.001 -22.699 -26.873 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.573 -21.931 -26.964 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.583 -24.813 -28.688 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.462 -24.765 -30.385 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.259 -26.023 -30.267 1.00 0.00 H new ATOM 909 N CYS A 83 -16.245 -20.474 -26.905 1.00 0.00 N ATOM 910 CA CYS A 83 -15.398 -19.553 -26.106 1.00 0.00 C ATOM 911 C CYS A 83 -14.729 -18.485 -27.004 1.00 0.00 C ATOM 912 O CYS A 83 -14.250 -17.476 -26.505 1.00 0.00 O ATOM 913 CB CYS A 83 -14.297 -20.322 -25.336 1.00 0.00 C ATOM 914 SG CYS A 83 -14.870 -21.591 -24.162 1.00 0.00 S ATOM 0 H CYS A 83 -15.846 -21.406 -27.020 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.058 -19.061 -25.391 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.641 -20.800 -26.064 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.693 -19.598 -24.789 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.064 -22.710 -24.794 1.00 0.00 H new ATOM 919 N GLN A 84 -14.660 -18.735 -28.322 1.00 0.00 N ATOM 920 CA GLN A 84 -13.966 -17.837 -29.261 1.00 0.00 C ATOM 921 C GLN A 84 -14.899 -16.695 -29.712 1.00 0.00 C ATOM 922 O GLN A 84 -14.485 -15.542 -29.704 1.00 0.00 O ATOM 923 CB GLN A 84 -13.405 -18.635 -30.485 1.00 0.00 C ATOM 924 CG GLN A 84 -12.057 -18.122 -31.049 1.00 0.00 C ATOM 925 CD GLN A 84 -12.062 -16.639 -31.430 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.430 -16.279 -32.543 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.604 -15.775 -30.529 1.00 0.00 N ATOM 0 H GLN A 84 -15.078 -19.554 -28.763 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.117 -17.389 -28.744 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.284 -19.678 -30.193 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.146 -18.611 -31.284 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.277 -18.293 -30.307 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.796 -18.711 -31.928 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.305 -16.105 -29.611 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.551 -14.782 -30.755 1.00 0.00 H new