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 30:sc= 0.638 USER MOD Set 1.2: A 62 CYS SG : rot -47:sc= -1.07 USER MOD Set 1.3: A 80 CYS SG : rot -51:sc= -0.558 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0129 X(o=-1,f=-1) USER MOD Set 1.5: A 83 CYS SG : rot 140:sc=-0.00861 USER MOD Single : A 38 THR OG1 : rot 29:sc= 0.0649 USER MOD Single : A 55 SER OG : rot -27:sc= 0.34 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00696 F(o=-0.95,f=-0.007) USER MOD Single : A 84 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 8.101 -22.078 -38.835 1.00 0.00 N ATOM 235 CA THR A 38 9.374 -22.810 -38.908 1.00 0.00 C ATOM 236 C THR A 38 9.843 -23.277 -37.502 1.00 0.00 C ATOM 237 O THR A 38 10.220 -24.441 -37.314 1.00 0.00 O ATOM 238 CB THR A 38 10.468 -21.898 -39.549 1.00 0.00 C ATOM 239 OG1 THR A 38 10.069 -21.527 -40.880 1.00 0.00 O ATOM 240 CG2 THR A 38 11.858 -22.566 -39.595 1.00 0.00 C ATOM 0 HA THR A 38 9.219 -23.695 -39.525 1.00 0.00 H new ATOM 0 HB THR A 38 10.557 -21.016 -38.915 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.091 -21.506 -40.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.575 -21.883 -40.051 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.180 -22.807 -38.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.803 -23.481 -40.185 1.00 0.00 H new ATOM 248 N ILE A 39 9.770 -22.354 -36.527 1.00 0.00 N ATOM 249 CA ILE A 39 10.276 -22.563 -35.152 1.00 0.00 C ATOM 250 C ILE A 39 9.424 -23.621 -34.432 1.00 0.00 C ATOM 251 O ILE A 39 9.960 -24.555 -33.819 1.00 0.00 O ATOM 252 CB ILE A 39 10.313 -21.210 -34.304 1.00 0.00 C ATOM 253 CG1 ILE A 39 11.330 -20.154 -34.894 1.00 0.00 C ATOM 254 CG2 ILE A 39 10.646 -21.490 -32.808 1.00 0.00 C ATOM 255 CD1 ILE A 39 10.963 -19.517 -36.230 1.00 0.00 C ATOM 0 H ILE A 39 9.355 -21.433 -36.669 1.00 0.00 H new ATOM 0 HA ILE A 39 11.304 -22.916 -35.235 1.00 0.00 H new ATOM 0 HB ILE A 39 9.314 -20.780 -34.371 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.455 -19.357 -34.161 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.299 -20.641 -35.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.664 -20.550 -32.257 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.886 -22.145 -32.383 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.621 -21.971 -32.736 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.741 -18.813 -36.523 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.871 -20.293 -36.990 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.014 -18.989 -36.133 1.00 0.00 H new ATOM 267 N GLU A 40 8.100 -23.495 -34.571 1.00 0.00 N ATOM 268 CA GLU A 40 7.133 -24.366 -33.866 1.00 0.00 C ATOM 269 C GLU A 40 7.186 -25.801 -34.435 1.00 0.00 C ATOM 270 O GLU A 40 7.023 -26.772 -33.700 1.00 0.00 O ATOM 271 CB GLU A 40 5.703 -23.762 -33.959 1.00 0.00 C ATOM 272 CG GLU A 40 4.992 -23.927 -35.327 1.00 0.00 C ATOM 273 CD GLU A 40 3.813 -22.962 -35.564 1.00 0.00 C ATOM 274 OE1 GLU A 40 4.005 -21.738 -35.411 1.00 0.00 O ATOM 275 OE2 GLU A 40 2.708 -23.408 -35.936 1.00 0.00 O ATOM 0 H GLU A 40 7.663 -22.794 -35.169 1.00 0.00 H new ATOM 0 HA GLU A 40 7.403 -24.422 -32.812 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.083 -24.223 -33.190 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.762 -22.699 -33.726 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.725 -23.784 -36.121 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.627 -24.951 -35.410 1.00 0.00 H new ATOM 282 N ASP A 41 7.461 -25.894 -35.748 1.00 0.00 N ATOM 283 CA ASP A 41 7.612 -27.175 -36.469 1.00 0.00 C ATOM 284 C ASP A 41 8.930 -27.866 -36.070 1.00 0.00 C ATOM 285 O ASP A 41 8.996 -29.097 -35.965 1.00 0.00 O ATOM 286 CB ASP A 41 7.561 -26.909 -37.997 1.00 0.00 C ATOM 287 CG ASP A 41 7.727 -28.174 -38.869 1.00 0.00 C ATOM 288 OD1 ASP A 41 6.773 -28.969 -38.975 1.00 0.00 O ATOM 289 OD2 ASP A 41 8.811 -28.372 -39.473 1.00 0.00 O ATOM 0 H ASP A 41 7.586 -25.077 -36.345 1.00 0.00 H new ATOM 0 HA ASP A 41 6.795 -27.844 -36.199 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.609 -26.437 -38.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.345 -26.198 -38.256 1.00 0.00 H new ATOM 294 N ALA A 42 9.968 -27.040 -35.835 1.00 0.00 N ATOM 295 CA ALA A 42 11.297 -27.509 -35.399 1.00 0.00 C ATOM 296 C ALA A 42 11.234 -28.110 -33.982 1.00 0.00 C ATOM 297 O ALA A 42 11.856 -29.137 -33.713 1.00 0.00 O ATOM 298 CB ALA A 42 12.316 -26.361 -35.459 1.00 0.00 C ATOM 0 H ALA A 42 9.908 -26.027 -35.942 1.00 0.00 H new ATOM 0 HA ALA A 42 11.621 -28.295 -36.081 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.291 -26.723 -35.134 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.388 -25.992 -36.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.992 -25.553 -34.803 1.00 0.00 H new ATOM 304 N ILE A 43 10.451 -27.473 -33.097 1.00 0.00 N ATOM 305 CA ILE A 43 10.239 -27.950 -31.709 1.00 0.00 C ATOM 306 C ILE A 43 9.305 -29.188 -31.694 1.00 0.00 C ATOM 307 O ILE A 43 9.466 -30.109 -30.869 1.00 0.00 O ATOM 308 CB ILE A 43 9.641 -26.805 -30.804 1.00 0.00 C ATOM 309 CG1 ILE A 43 10.544 -25.526 -30.826 1.00 0.00 C ATOM 310 CG2 ILE A 43 9.420 -27.283 -29.352 1.00 0.00 C ATOM 311 CD1 ILE A 43 11.961 -25.717 -30.299 1.00 0.00 C ATOM 0 H ILE A 43 9.946 -26.615 -33.316 1.00 0.00 H new ATOM 0 HA ILE A 43 11.208 -28.238 -31.302 1.00 0.00 H new ATOM 0 HB ILE A 43 8.670 -26.544 -31.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.602 -25.161 -31.851 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.057 -24.748 -30.237 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.007 -26.467 -28.759 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.725 -28.123 -29.347 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.372 -27.597 -28.924 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.502 -24.772 -30.358 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.922 -26.048 -29.261 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.475 -26.467 -30.900 1.00 0.00 H new ATOM 323 N ALA A 44 8.349 -29.197 -32.638 1.00 0.00 N ATOM 324 CA ALA A 44 7.357 -30.273 -32.795 1.00 0.00 C ATOM 325 C ALA A 44 8.036 -31.608 -33.148 1.00 0.00 C ATOM 326 O ALA A 44 7.747 -32.639 -32.540 1.00 0.00 O ATOM 327 CB ALA A 44 6.333 -29.880 -33.869 1.00 0.00 C ATOM 0 H ALA A 44 8.242 -28.448 -33.322 1.00 0.00 H new ATOM 0 HA ALA A 44 6.840 -30.411 -31.846 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.600 -30.679 -33.983 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.826 -28.962 -33.570 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.845 -29.719 -34.818 1.00 0.00 H new ATOM 333 N ARG A 45 8.970 -31.567 -34.113 1.00 0.00 N ATOM 334 CA ARG A 45 9.739 -32.762 -34.524 1.00 0.00 C ATOM 335 C ARG A 45 10.835 -33.107 -33.483 1.00 0.00 C ATOM 336 O ARG A 45 11.214 -34.276 -33.344 1.00 0.00 O ATOM 337 CB ARG A 45 10.370 -32.533 -35.927 1.00 0.00 C ATOM 338 CG ARG A 45 11.454 -31.437 -35.949 1.00 0.00 C ATOM 339 CD ARG A 45 12.090 -31.207 -37.329 1.00 0.00 C ATOM 340 NE ARG A 45 13.260 -30.308 -37.222 1.00 0.00 N ATOM 341 CZ ARG A 45 13.831 -29.636 -38.224 1.00 0.00 C ATOM 342 NH1 ARG A 45 13.344 -29.700 -39.459 1.00 0.00 N ATOM 343 NH2 ARG A 45 14.912 -28.908 -37.984 1.00 0.00 N ATOM 0 H ARG A 45 9.214 -30.720 -34.626 1.00 0.00 H new ATOM 0 HA ARG A 45 9.054 -33.608 -34.579 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.805 -33.469 -36.277 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.582 -32.266 -36.631 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.015 -30.501 -35.603 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.238 -31.703 -35.240 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.396 -32.161 -37.757 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.354 -30.775 -38.007 1.00 0.00 H new ATOM 0 HE ARG A 45 13.669 -30.191 -36.295 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.521 -30.270 -39.654 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.794 -29.179 -40.212 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.299 -28.865 -37.041 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.357 -28.390 -38.742 1.00 0.00 H new ATOM 357 N ALA A 46 11.318 -32.072 -32.754 1.00 0.00 N ATOM 358 CA ALA A 46 12.459 -32.194 -31.829 1.00 0.00 C ATOM 359 C ALA A 46 12.148 -33.144 -30.662 1.00 0.00 C ATOM 360 O ALA A 46 12.824 -34.165 -30.489 1.00 0.00 O ATOM 361 CB ALA A 46 12.852 -30.811 -31.293 1.00 0.00 C ATOM 0 H ALA A 46 10.924 -31.132 -32.794 1.00 0.00 H new ATOM 0 HA ALA A 46 13.294 -32.618 -32.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.696 -30.912 -30.610 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.133 -30.165 -32.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.007 -30.373 -30.763 1.00 0.00 H new ATOM 367 N ARG A 47 11.105 -32.813 -29.882 1.00 0.00 N ATOM 368 CA ARG A 47 10.745 -33.576 -28.666 1.00 0.00 C ATOM 369 C ARG A 47 9.240 -33.892 -28.615 1.00 0.00 C ATOM 370 O ARG A 47 8.786 -34.623 -27.726 1.00 0.00 O ATOM 371 CB ARG A 47 11.195 -32.793 -27.402 1.00 0.00 C ATOM 372 CG ARG A 47 10.343 -31.551 -27.046 1.00 0.00 C ATOM 373 CD ARG A 47 10.877 -30.831 -25.795 1.00 0.00 C ATOM 374 NE ARG A 47 9.895 -29.919 -25.172 1.00 0.00 N ATOM 375 CZ ARG A 47 9.262 -30.147 -24.004 1.00 0.00 C ATOM 376 NH1 ARG A 47 9.375 -31.314 -23.371 1.00 0.00 N ATOM 377 NH2 ARG A 47 8.497 -29.213 -23.483 1.00 0.00 N ATOM 0 H ARG A 47 10.492 -32.020 -30.070 1.00 0.00 H new ATOM 0 HA ARG A 47 11.268 -34.532 -28.696 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.184 -33.475 -26.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.228 -32.475 -27.542 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.338 -30.860 -27.889 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.310 -31.855 -26.877 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.185 -31.576 -25.061 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.767 -30.263 -26.065 1.00 0.00 H new ATOM 0 HE ARG A 47 9.680 -29.051 -25.663 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.950 -32.057 -23.769 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.887 -31.465 -22.488 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.384 -28.320 -23.963 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.016 -29.382 -22.599 1.00 0.00 H new ATOM 391 N GLY A 48 8.475 -33.350 -29.580 1.00 0.00 N ATOM 392 CA GLY A 48 7.019 -33.533 -29.611 1.00 0.00 C ATOM 393 C GLY A 48 6.272 -32.607 -28.666 1.00 0.00 C ATOM 394 O GLY A 48 5.198 -32.962 -28.174 1.00 0.00 O ATOM 0 H GLY A 48 8.843 -32.784 -30.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.661 -33.368 -30.627 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.785 -34.566 -29.355 1.00 0.00 H new ATOM 398 N GLU A 49 6.853 -31.423 -28.402 1.00 0.00 N ATOM 399 CA GLU A 49 6.234 -30.395 -27.548 1.00 0.00 C ATOM 400 C GLU A 49 5.016 -29.793 -28.263 1.00 0.00 C ATOM 401 O GLU A 49 3.867 -29.970 -27.846 1.00 0.00 O ATOM 402 CB GLU A 49 7.265 -29.276 -27.226 1.00 0.00 C ATOM 403 CG GLU A 49 6.730 -28.150 -26.305 1.00 0.00 C ATOM 404 CD GLU A 49 7.693 -26.955 -26.147 1.00 0.00 C ATOM 405 OE1 GLU A 49 8.730 -27.099 -25.468 1.00 0.00 O ATOM 406 OE2 GLU A 49 7.424 -25.874 -26.698 1.00 0.00 O ATOM 0 H GLU A 49 7.763 -31.153 -28.774 1.00 0.00 H new ATOM 0 HA GLU A 49 5.911 -30.856 -26.614 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.137 -29.729 -26.755 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.603 -28.832 -28.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.782 -27.789 -26.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.523 -28.569 -25.320 1.00 0.00 H new ATOM 413 N ILE A 50 5.307 -29.078 -29.353 1.00 0.00 N ATOM 414 CA ILE A 50 4.300 -28.409 -30.174 1.00 0.00 C ATOM 415 C ILE A 50 3.648 -29.437 -31.128 1.00 0.00 C ATOM 416 O ILE A 50 4.311 -30.395 -31.533 1.00 0.00 O ATOM 417 CB ILE A 50 4.971 -27.224 -30.978 1.00 0.00 C ATOM 418 CG1 ILE A 50 5.735 -26.272 -30.011 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.940 -26.415 -31.805 1.00 0.00 C ATOM 420 CD1 ILE A 50 4.851 -25.572 -28.988 1.00 0.00 C ATOM 0 H ILE A 50 6.260 -28.947 -29.692 1.00 0.00 H new ATOM 0 HA ILE A 50 3.520 -27.988 -29.539 1.00 0.00 H new ATOM 0 HB ILE A 50 5.675 -27.675 -31.678 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.497 -26.845 -29.483 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.256 -25.517 -30.600 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.450 -25.613 -32.339 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.451 -27.074 -32.522 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.192 -25.988 -31.137 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.464 -24.929 -28.356 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.105 -24.968 -29.504 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.350 -26.317 -28.370 1.00 0.00 H new ATOM 492 N SER A 55 -1.990 -23.729 -33.017 1.00 0.00 N ATOM 493 CA SER A 55 -3.329 -24.234 -32.750 1.00 0.00 C ATOM 494 C SER A 55 -3.275 -25.559 -31.942 1.00 0.00 C ATOM 495 O SER A 55 -2.893 -26.614 -32.458 1.00 0.00 O ATOM 496 CB SER A 55 -4.025 -24.390 -34.114 1.00 0.00 C ATOM 497 OG SER A 55 -3.180 -25.021 -35.064 1.00 0.00 O ATOM 0 HA SER A 55 -3.899 -23.545 -32.127 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.937 -24.975 -33.993 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.322 -23.409 -34.486 1.00 0.00 H new ATOM 0 HG SER A 55 -2.243 -24.852 -34.831 1.00 0.00 H new ATOM 503 N LEU A 56 -3.642 -25.445 -30.654 1.00 0.00 N ATOM 504 CA LEU A 56 -3.408 -26.489 -29.615 1.00 0.00 C ATOM 505 C LEU A 56 -4.416 -27.670 -29.642 1.00 0.00 C ATOM 506 O LEU A 56 -4.165 -28.689 -28.989 1.00 0.00 O ATOM 507 CB LEU A 56 -3.375 -25.836 -28.181 1.00 0.00 C ATOM 508 CG LEU A 56 -4.277 -24.570 -27.929 1.00 0.00 C ATOM 509 CD1 LEU A 56 -5.752 -24.865 -28.207 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.101 -23.986 -26.505 1.00 0.00 C ATOM 0 H LEU A 56 -4.116 -24.618 -30.290 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.439 -26.926 -29.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.661 -26.600 -27.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.343 -25.561 -27.962 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.937 -23.812 -28.635 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.343 -23.968 -28.022 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.872 -25.171 -29.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.093 -25.666 -27.551 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.746 -23.115 -26.387 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.371 -24.741 -25.766 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.062 -23.690 -26.359 1.00 0.00 H new ATOM 522 N ASP A 57 -5.578 -27.474 -30.299 1.00 0.00 N ATOM 523 CA ASP A 57 -6.657 -28.511 -30.468 1.00 0.00 C ATOM 524 C ASP A 57 -7.539 -28.689 -29.213 1.00 0.00 C ATOM 525 O ASP A 57 -8.608 -29.307 -29.288 1.00 0.00 O ATOM 526 CB ASP A 57 -6.129 -29.890 -30.954 1.00 0.00 C ATOM 527 CG ASP A 57 -5.534 -29.818 -32.369 1.00 0.00 C ATOM 528 OD1 ASP A 57 -6.312 -29.656 -33.338 1.00 0.00 O ATOM 529 OD2 ASP A 57 -4.293 -29.866 -32.516 1.00 0.00 O ATOM 0 H ASP A 57 -5.811 -26.584 -30.739 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.285 -28.105 -31.261 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.370 -30.251 -30.260 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.944 -30.614 -30.941 1.00 0.00 H new ATOM 534 N GLU A 58 -7.116 -28.099 -28.079 1.00 0.00 N ATOM 535 CA GLU A 58 -7.824 -28.202 -26.772 1.00 0.00 C ATOM 536 C GLU A 58 -7.986 -26.793 -26.159 1.00 0.00 C ATOM 537 O GLU A 58 -7.026 -26.218 -25.646 1.00 0.00 O ATOM 538 CB GLU A 58 -7.104 -29.148 -25.744 1.00 0.00 C ATOM 539 CG GLU A 58 -7.282 -30.668 -25.967 1.00 0.00 C ATOM 540 CD GLU A 58 -6.522 -31.224 -27.176 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.289 -31.086 -27.212 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.146 -31.810 -28.080 1.00 0.00 O ATOM 0 H GLU A 58 -6.269 -27.532 -28.035 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.798 -28.648 -26.976 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.038 -28.923 -25.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.465 -28.905 -24.745 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.952 -31.195 -25.072 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.343 -30.883 -26.090 1.00 0.00 H new ATOM 549 N CYS A 59 -9.204 -26.262 -26.264 1.00 0.00 N ATOM 550 CA CYS A 59 -9.634 -24.964 -25.684 1.00 0.00 C ATOM 551 C CYS A 59 -9.187 -24.773 -24.214 1.00 0.00 C ATOM 552 O CYS A 59 -9.476 -25.619 -23.384 1.00 0.00 O ATOM 553 CB CYS A 59 -11.169 -24.925 -25.783 1.00 0.00 C ATOM 554 SG CYS A 59 -11.975 -23.516 -25.008 1.00 0.00 S ATOM 0 H CYS A 59 -9.955 -26.731 -26.771 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.164 -24.151 -26.238 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.446 -24.942 -26.837 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.565 -25.836 -25.335 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.181 -22.487 -25.045 1.00 0.00 H new ATOM 559 N GLU A 60 -8.499 -23.653 -23.914 1.00 0.00 N ATOM 560 CA GLU A 60 -7.998 -23.334 -22.549 1.00 0.00 C ATOM 561 C GLU A 60 -9.140 -23.145 -21.516 1.00 0.00 C ATOM 562 O GLU A 60 -8.918 -23.268 -20.312 1.00 0.00 O ATOM 563 CB GLU A 60 -7.122 -22.040 -22.575 1.00 0.00 C ATOM 564 CG GLU A 60 -7.881 -20.765 -23.013 1.00 0.00 C ATOM 565 CD GLU A 60 -7.091 -19.464 -22.778 1.00 0.00 C ATOM 566 OE1 GLU A 60 -6.178 -19.162 -23.560 1.00 0.00 O ATOM 567 OE2 GLU A 60 -7.402 -18.726 -21.822 1.00 0.00 O ATOM 0 H GLU A 60 -8.272 -22.940 -24.607 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.401 -24.191 -22.237 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.706 -21.877 -21.581 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.281 -22.198 -23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.126 -20.845 -24.072 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.825 -20.710 -22.470 1.00 0.00 H new ATOM 574 N GLU A 61 -10.352 -22.844 -22.010 1.00 0.00 N ATOM 575 CA GLU A 61 -11.501 -22.475 -21.163 1.00 0.00 C ATOM 576 C GLU A 61 -12.235 -23.722 -20.683 1.00 0.00 C ATOM 577 O GLU A 61 -12.476 -23.904 -19.488 1.00 0.00 O ATOM 578 CB GLU A 61 -12.480 -21.579 -21.966 1.00 0.00 C ATOM 579 CG GLU A 61 -11.847 -20.310 -22.555 1.00 0.00 C ATOM 580 CD GLU A 61 -11.512 -19.215 -21.522 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.422 -19.249 -20.909 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.342 -18.295 -21.330 1.00 0.00 O ATOM 0 H GLU A 61 -10.564 -22.849 -23.008 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.129 -21.928 -20.296 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.907 -22.167 -22.778 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.305 -21.289 -21.315 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.933 -20.587 -23.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.527 -19.893 -23.298 1.00 0.00 H new ATOM 589 N CYS A 62 -12.586 -24.591 -21.646 1.00 0.00 N ATOM 590 CA CYS A 62 -13.519 -25.706 -21.403 1.00 0.00 C ATOM 591 C CYS A 62 -13.038 -27.020 -22.051 1.00 0.00 C ATOM 592 O CYS A 62 -13.820 -27.966 -22.176 1.00 0.00 O ATOM 593 CB CYS A 62 -14.919 -25.312 -21.929 1.00 0.00 C ATOM 594 SG CYS A 62 -15.113 -25.371 -23.740 1.00 0.00 S ATOM 0 H CYS A 62 -12.237 -24.543 -22.603 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.565 -25.891 -20.330 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.658 -25.975 -21.479 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.147 -24.302 -21.588 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.107 -24.770 -24.304 1.00 0.00 H new ATOM 599 N GLY A 63 -11.743 -27.057 -22.444 1.00 0.00 N ATOM 600 CA GLY A 63 -11.104 -28.237 -23.068 1.00 0.00 C ATOM 601 C GLY A 63 -11.823 -28.802 -24.297 1.00 0.00 C ATOM 602 O GLY A 63 -11.628 -29.964 -24.658 1.00 0.00 O ATOM 0 H GLY A 63 -11.110 -26.264 -22.336 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.087 -27.969 -23.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.027 -29.025 -22.319 1.00 0.00 H new ATOM 606 N ALA A 64 -12.641 -27.966 -24.945 1.00 0.00 N ATOM 607 CA ALA A 64 -13.444 -28.376 -26.108 1.00 0.00 C ATOM 608 C ALA A 64 -12.559 -28.428 -27.364 1.00 0.00 C ATOM 609 O ALA A 64 -11.629 -27.600 -27.478 1.00 0.00 O ATOM 610 CB ALA A 64 -14.613 -27.405 -26.305 1.00 0.00 C ATOM 0 H ALA A 64 -12.767 -26.989 -24.681 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.850 -29.372 -25.932 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.202 -27.715 -27.168 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.243 -27.408 -25.415 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.227 -26.400 -26.472 1.00 0.00 H new ATOM 616 N PRO A 65 -12.825 -29.389 -28.313 1.00 0.00 N ATOM 617 CA PRO A 65 -12.107 -29.468 -29.601 1.00 0.00 C ATOM 618 C PRO A 65 -12.063 -28.110 -30.342 1.00 0.00 C ATOM 619 O PRO A 65 -13.110 -27.515 -30.653 1.00 0.00 O ATOM 620 CB PRO A 65 -12.911 -30.518 -30.400 1.00 0.00 C ATOM 621 CG PRO A 65 -13.512 -31.400 -29.347 1.00 0.00 C ATOM 622 CD PRO A 65 -13.831 -30.485 -28.187 1.00 0.00 C ATOM 0 HA PRO A 65 -11.059 -29.737 -29.468 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.680 -30.049 -31.013 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.268 -31.084 -31.074 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.411 -31.894 -29.715 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.817 -32.184 -29.048 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.850 -30.102 -28.248 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.741 -31.003 -27.232 1.00 0.00 H new ATOM 630 N ILE A 66 -10.836 -27.601 -30.517 1.00 0.00 N ATOM 631 CA ILE A 66 -10.555 -26.416 -31.328 1.00 0.00 C ATOM 632 C ILE A 66 -10.779 -26.772 -32.813 1.00 0.00 C ATOM 633 O ILE A 66 -10.028 -27.592 -33.356 1.00 0.00 O ATOM 634 CB ILE A 66 -9.075 -25.946 -31.086 1.00 0.00 C ATOM 635 CG1 ILE A 66 -8.870 -25.492 -29.611 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.642 -24.846 -32.081 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.275 -24.079 -29.313 1.00 0.00 C ATOM 0 H ILE A 66 -10.003 -28.008 -30.093 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.221 -25.599 -31.048 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.429 -26.805 -31.268 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.436 -26.159 -28.961 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.818 -25.613 -29.354 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.612 -24.553 -31.875 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.713 -25.228 -33.099 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.294 -23.980 -31.972 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.092 -23.862 -28.260 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.692 -23.396 -29.930 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.335 -23.951 -29.531 1.00 0.00 H new ATOM 649 N PRO A 67 -11.817 -26.188 -33.487 1.00 0.00 N ATOM 650 CA PRO A 67 -12.141 -26.536 -34.889 1.00 0.00 C ATOM 651 C PRO A 67 -11.070 -26.016 -35.869 1.00 0.00 C ATOM 652 O PRO A 67 -10.388 -25.013 -35.590 1.00 0.00 O ATOM 653 CB PRO A 67 -13.514 -25.862 -35.116 1.00 0.00 C ATOM 654 CG PRO A 67 -13.522 -24.699 -34.173 1.00 0.00 C ATOM 655 CD PRO A 67 -12.744 -25.149 -32.952 1.00 0.00 C ATOM 0 HA PRO A 67 -12.168 -27.611 -35.065 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.630 -25.536 -36.150 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.333 -26.549 -34.905 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.061 -23.823 -34.629 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.541 -24.420 -33.906 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.199 -24.322 -32.497 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.403 -25.557 -32.185 1.00 0.00 H new ATOM 663 N GLN A 68 -10.947 -26.709 -37.015 1.00 0.00 N ATOM 664 CA GLN A 68 -9.925 -26.425 -38.031 1.00 0.00 C ATOM 665 C GLN A 68 -10.086 -25.006 -38.614 1.00 0.00 C ATOM 666 O GLN A 68 -9.110 -24.410 -39.071 1.00 0.00 O ATOM 667 CB GLN A 68 -9.968 -27.502 -39.144 1.00 0.00 C ATOM 668 CG GLN A 68 -11.255 -27.506 -40.032 1.00 0.00 C ATOM 669 CD GLN A 68 -11.078 -26.914 -41.450 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.151 -25.968 -41.639 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.781 -27.307 -42.379 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.559 -27.487 -37.261 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.946 -26.462 -37.553 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.102 -27.364 -39.792 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.866 -28.483 -38.680 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.609 -28.533 -40.126 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.035 -26.946 -39.516 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.483 -28.029 -42.217 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.662 -26.911 -43.311 1.00 0.00 H new ATOM 680 N ALA A 69 -11.333 -24.501 -38.582 1.00 0.00 N ATOM 681 CA ALA A 69 -11.686 -23.155 -39.055 1.00 0.00 C ATOM 682 C ALA A 69 -10.959 -22.091 -38.215 1.00 0.00 C ATOM 683 O ALA A 69 -10.394 -21.135 -38.739 1.00 0.00 O ATOM 684 CB ALA A 69 -13.213 -22.971 -38.986 1.00 0.00 C ATOM 0 H ALA A 69 -12.131 -25.024 -38.222 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.369 -23.036 -40.091 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.475 -21.973 -39.337 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.698 -23.716 -39.616 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.548 -23.093 -37.956 1.00 0.00 H new ATOM 690 N ARG A 70 -10.957 -22.310 -36.893 1.00 0.00 N ATOM 691 CA ARG A 70 -10.258 -21.448 -35.929 1.00 0.00 C ATOM 692 C ARG A 70 -8.738 -21.646 -35.993 1.00 0.00 C ATOM 693 O ARG A 70 -7.982 -20.702 -35.746 1.00 0.00 O ATOM 694 CB ARG A 70 -10.805 -21.703 -34.498 1.00 0.00 C ATOM 695 CG ARG A 70 -12.252 -21.202 -34.303 1.00 0.00 C ATOM 696 CD ARG A 70 -12.343 -19.659 -34.391 1.00 0.00 C ATOM 697 NE ARG A 70 -13.593 -19.201 -35.027 1.00 0.00 N ATOM 698 CZ ARG A 70 -13.826 -17.954 -35.474 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.939 -16.980 -35.282 1.00 0.00 N ATOM 700 NH2 ARG A 70 -14.970 -17.683 -36.086 1.00 0.00 N ATOM 0 H ARG A 70 -11.443 -23.095 -36.459 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.451 -20.408 -36.194 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.765 -22.771 -34.286 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.156 -21.210 -33.774 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.896 -21.648 -35.061 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.624 -21.533 -33.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.274 -19.237 -33.389 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.492 -19.280 -34.956 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.341 -19.886 -35.137 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.067 -17.174 -34.789 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.131 -16.040 -35.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.666 -18.418 -36.215 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.155 -16.740 -36.428 1.00 0.00 H new ATOM 714 N ARG A 71 -8.306 -22.878 -36.314 1.00 0.00 N ATOM 715 CA ARG A 71 -6.877 -23.228 -36.432 1.00 0.00 C ATOM 716 C ARG A 71 -6.161 -22.404 -37.525 1.00 0.00 C ATOM 717 O ARG A 71 -5.078 -21.854 -37.283 1.00 0.00 O ATOM 718 CB ARG A 71 -6.700 -24.743 -36.720 1.00 0.00 C ATOM 719 CG ARG A 71 -7.060 -25.691 -35.550 1.00 0.00 C ATOM 720 CD ARG A 71 -6.700 -27.168 -35.855 1.00 0.00 C ATOM 721 NE ARG A 71 -5.381 -27.283 -36.535 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.246 -27.767 -36.007 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.211 -28.195 -34.766 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.135 -27.794 -36.734 1.00 0.00 N ATOM 0 H ARG A 71 -8.935 -23.659 -36.499 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.417 -22.986 -35.474 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.316 -25.006 -37.580 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.663 -24.922 -37.004 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.534 -25.370 -34.651 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.127 -25.616 -35.340 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.681 -27.738 -34.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.473 -27.609 -36.484 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.335 -26.961 -37.502 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.053 -28.162 -34.191 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.342 -28.561 -34.377 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.145 -27.447 -37.693 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.272 -28.162 -36.333 1.00 0.00 H new ATOM 738 N GLU A 72 -6.780 -22.317 -38.718 1.00 0.00 N ATOM 739 CA GLU A 72 -6.145 -21.687 -39.897 1.00 0.00 C ATOM 740 C GLU A 72 -6.398 -20.169 -39.929 1.00 0.00 C ATOM 741 O GLU A 72 -5.592 -19.406 -40.479 1.00 0.00 O ATOM 742 CB GLU A 72 -6.596 -22.408 -41.211 1.00 0.00 C ATOM 743 CG GLU A 72 -8.123 -22.480 -41.482 1.00 0.00 C ATOM 744 CD GLU A 72 -8.723 -21.220 -42.136 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.344 -20.910 -43.284 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.550 -20.524 -41.503 1.00 0.00 O ATOM 0 H GLU A 72 -7.719 -22.674 -38.893 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.065 -21.809 -39.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.125 -21.903 -42.054 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.206 -23.426 -41.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.324 -23.337 -42.125 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.637 -22.662 -40.538 1.00 0.00 H new ATOM 753 N ALA A 73 -7.525 -19.743 -39.339 1.00 0.00 N ATOM 754 CA ALA A 73 -7.863 -18.310 -39.190 1.00 0.00 C ATOM 755 C ALA A 73 -6.956 -17.634 -38.151 1.00 0.00 C ATOM 756 O ALA A 73 -6.498 -16.501 -38.350 1.00 0.00 O ATOM 757 CB ALA A 73 -9.343 -18.138 -38.788 1.00 0.00 C ATOM 0 H ALA A 73 -8.227 -20.374 -38.952 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.701 -17.829 -40.155 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.571 -17.077 -38.684 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.982 -18.572 -39.557 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.523 -18.643 -37.839 1.00 0.00 H new ATOM 763 N ILE A 74 -6.715 -18.341 -37.027 1.00 0.00 N ATOM 764 CA ILE A 74 -5.961 -17.809 -35.878 1.00 0.00 C ATOM 765 C ILE A 74 -4.735 -18.714 -35.611 1.00 0.00 C ATOM 766 O ILE A 74 -4.886 -19.805 -35.040 1.00 0.00 O ATOM 767 CB ILE A 74 -6.863 -17.734 -34.584 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.242 -17.057 -34.900 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.126 -17.005 -33.423 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.244 -17.084 -33.756 1.00 0.00 C ATOM 0 H ILE A 74 -7.040 -19.299 -36.893 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.634 -16.797 -36.117 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.061 -18.754 -34.255 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.065 -16.020 -35.184 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.685 -17.553 -35.764 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.773 -16.970 -32.547 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.211 -17.544 -33.177 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.877 -15.990 -33.731 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.166 -16.593 -34.068 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.457 -18.118 -33.484 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.828 -16.560 -32.895 1.00 0.00 H new ATOM 782 N PRO A 75 -3.505 -18.295 -36.052 1.00 0.00 N ATOM 783 CA PRO A 75 -2.253 -19.022 -35.736 1.00 0.00 C ATOM 784 C PRO A 75 -1.903 -18.887 -34.233 1.00 0.00 C ATOM 785 O PRO A 75 -1.287 -17.908 -33.796 1.00 0.00 O ATOM 786 CB PRO A 75 -1.199 -18.340 -36.652 1.00 0.00 C ATOM 787 CG PRO A 75 -1.730 -16.955 -36.861 1.00 0.00 C ATOM 788 CD PRO A 75 -3.237 -17.096 -36.903 1.00 0.00 C ATOM 0 HA PRO A 75 -2.316 -20.096 -35.913 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.216 -18.322 -36.182 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.091 -18.871 -37.598 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.421 -16.291 -36.053 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.351 -16.526 -37.789 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.733 -16.208 -36.511 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.597 -17.239 -37.922 1.00 0.00 H new ATOM 796 N GLY A 76 -2.368 -19.868 -33.443 1.00 0.00 N ATOM 797 CA GLY A 76 -2.217 -19.850 -31.981 1.00 0.00 C ATOM 798 C GLY A 76 -3.548 -19.661 -31.274 1.00 0.00 C ATOM 799 O GLY A 76 -3.622 -19.013 -30.219 1.00 0.00 O ATOM 0 H GLY A 76 -2.856 -20.690 -33.798 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.761 -20.784 -31.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.538 -19.046 -31.696 1.00 0.00 H new ATOM 803 N VAL A 77 -4.604 -20.218 -31.882 1.00 0.00 N ATOM 804 CA VAL A 77 -5.942 -20.252 -31.291 1.00 0.00 C ATOM 805 C VAL A 77 -5.945 -21.120 -30.021 1.00 0.00 C ATOM 806 O VAL A 77 -5.389 -22.220 -30.002 1.00 0.00 O ATOM 807 CB VAL A 77 -7.012 -20.782 -32.313 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.593 -22.128 -32.931 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.415 -20.868 -31.669 1.00 0.00 C ATOM 0 H VAL A 77 -4.551 -20.658 -32.801 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.212 -19.230 -31.025 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.068 -20.058 -33.126 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.359 -22.461 -33.632 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.647 -22.007 -33.458 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.477 -22.870 -32.141 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.130 -21.238 -32.403 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.384 -21.549 -30.818 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.721 -19.878 -31.331 1.00 0.00 H new ATOM 819 N ARG A 78 -6.569 -20.586 -28.967 1.00 0.00 N ATOM 820 CA ARG A 78 -6.675 -21.237 -27.657 1.00 0.00 C ATOM 821 C ARG A 78 -8.138 -21.267 -27.170 1.00 0.00 C ATOM 822 O ARG A 78 -8.429 -21.701 -26.062 1.00 0.00 O ATOM 823 CB ARG A 78 -5.699 -20.549 -26.642 1.00 0.00 C ATOM 824 CG ARG A 78 -5.366 -19.045 -26.877 1.00 0.00 C ATOM 825 CD ARG A 78 -6.585 -18.123 -26.740 1.00 0.00 C ATOM 826 NE ARG A 78 -6.227 -16.699 -26.837 1.00 0.00 N ATOM 827 CZ ARG A 78 -5.927 -15.906 -25.796 1.00 0.00 C ATOM 828 NH1 ARG A 78 -5.953 -16.373 -24.547 1.00 0.00 N ATOM 829 NH2 ARG A 78 -5.613 -14.637 -26.003 1.00 0.00 N ATOM 0 H ARG A 78 -7.023 -19.673 -29.000 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.369 -22.280 -27.742 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.126 -20.648 -25.644 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.762 -21.106 -26.645 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.602 -18.734 -26.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.940 -18.926 -27.873 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.310 -18.366 -27.517 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.071 -18.308 -25.782 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.205 -16.282 -27.768 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.204 -17.346 -24.371 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.722 -15.757 -23.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.599 -14.263 -26.952 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.385 -14.033 -25.214 1.00 0.00 H new ATOM 843 N LEU A 79 -9.060 -20.838 -28.038 1.00 0.00 N ATOM 844 CA LEU A 79 -10.504 -20.778 -27.724 1.00 0.00 C ATOM 845 C LEU A 79 -11.309 -21.528 -28.800 1.00 0.00 C ATOM 846 O LEU A 79 -11.169 -21.232 -29.992 1.00 0.00 O ATOM 847 CB LEU A 79 -10.957 -19.300 -27.673 1.00 0.00 C ATOM 848 CG LEU A 79 -10.180 -18.394 -26.676 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.432 -16.901 -26.945 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.516 -18.763 -25.225 1.00 0.00 C ATOM 0 H LEU A 79 -8.833 -20.521 -28.980 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.681 -21.249 -26.757 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.862 -18.875 -28.672 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.015 -19.272 -27.413 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.116 -18.572 -26.832 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.871 -16.302 -26.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.108 -16.654 -27.956 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.496 -16.687 -26.843 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.960 -18.115 -24.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.585 -18.634 -25.055 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.242 -19.802 -25.041 1.00 0.00 H new ATOM 862 N CYS A 80 -12.125 -22.525 -28.375 1.00 0.00 N ATOM 863 CA CYS A 80 -13.051 -23.241 -29.290 1.00 0.00 C ATOM 864 C CYS A 80 -14.096 -22.247 -29.799 1.00 0.00 C ATOM 865 O CYS A 80 -14.316 -21.243 -29.130 1.00 0.00 O ATOM 866 CB CYS A 80 -13.745 -24.429 -28.572 1.00 0.00 C ATOM 867 SG CYS A 80 -14.999 -23.938 -27.336 1.00 0.00 S ATOM 0 H CYS A 80 -12.161 -22.851 -27.409 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.483 -23.651 -30.125 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.220 -25.063 -29.321 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.984 -25.034 -28.079 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.488 -23.061 -26.524 1.00 0.00 H new ATOM 872 N ILE A 81 -14.763 -22.547 -30.926 1.00 0.00 N ATOM 873 CA ILE A 81 -15.669 -21.592 -31.633 1.00 0.00 C ATOM 874 C ILE A 81 -16.725 -20.936 -30.688 1.00 0.00 C ATOM 875 O ILE A 81 -17.128 -19.786 -30.891 1.00 0.00 O ATOM 876 CB ILE A 81 -16.382 -22.321 -32.841 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.323 -21.341 -33.623 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.126 -23.602 -32.375 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.094 -21.950 -34.784 1.00 0.00 C ATOM 0 H ILE A 81 -14.697 -23.457 -31.383 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.047 -20.780 -32.008 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.608 -22.643 -33.538 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.039 -20.915 -32.919 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.721 -20.516 -34.004 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.604 -24.077 -33.232 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.413 -24.294 -31.927 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.884 -23.335 -31.638 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.712 -21.184 -35.252 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.393 -22.349 -35.517 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.731 -22.755 -34.416 1.00 0.00 H new ATOM 891 N HIS A 82 -17.081 -21.651 -29.613 1.00 0.00 N ATOM 892 CA HIS A 82 -18.058 -21.182 -28.607 1.00 0.00 C ATOM 893 C HIS A 82 -17.424 -20.104 -27.695 1.00 0.00 C ATOM 894 O HIS A 82 -17.991 -19.026 -27.503 1.00 0.00 O ATOM 895 CB HIS A 82 -18.571 -22.389 -27.776 1.00 0.00 C ATOM 896 CG HIS A 82 -19.049 -23.529 -28.624 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.334 -23.621 -29.108 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.389 -24.611 -29.098 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.434 -24.700 -29.863 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.272 -25.319 -29.866 1.00 0.00 N ATOM 0 H HIS A 82 -16.701 -22.576 -29.411 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.907 -20.725 -29.116 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.771 -22.740 -27.125 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.385 -22.058 -27.131 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.358 -24.868 -28.906 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.321 -25.021 -30.390 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.064 -26.186 -30.361 1.00 0.00 H new ATOM 909 N CYS A 83 -16.215 -20.392 -27.171 1.00 0.00 N ATOM 910 CA CYS A 83 -15.474 -19.448 -26.307 1.00 0.00 C ATOM 911 C CYS A 83 -14.774 -18.356 -27.142 1.00 0.00 C ATOM 912 O CYS A 83 -14.379 -17.337 -26.594 1.00 0.00 O ATOM 913 CB CYS A 83 -14.424 -20.178 -25.445 1.00 0.00 C ATOM 914 SG CYS A 83 -15.084 -21.518 -24.420 1.00 0.00 S ATOM 0 H CYS A 83 -15.729 -21.274 -27.332 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.208 -18.980 -25.651 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.655 -20.586 -26.101 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.936 -19.450 -24.797 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.252 -22.517 -24.423 1.00 0.00 H new ATOM 919 N GLN A 84 -14.598 -18.574 -28.460 1.00 0.00 N ATOM 920 CA GLN A 84 -13.878 -17.619 -29.322 1.00 0.00 C ATOM 921 C GLN A 84 -14.833 -16.493 -29.754 1.00 0.00 C ATOM 922 O GLN A 84 -14.452 -15.328 -29.725 1.00 0.00 O ATOM 923 CB GLN A 84 -13.240 -18.339 -30.557 1.00 0.00 C ATOM 924 CG GLN A 84 -11.866 -17.776 -31.030 1.00 0.00 C ATOM 925 CD GLN A 84 -11.856 -16.264 -31.277 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.162 -15.804 -32.373 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.488 -15.489 -30.257 1.00 0.00 N ATOM 0 H GLN A 84 -14.943 -19.400 -28.949 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.057 -17.180 -28.755 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.116 -19.395 -30.315 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.941 -18.283 -31.390 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.111 -18.015 -30.281 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.575 -18.285 -31.949 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.241 -15.909 -29.361 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.454 -14.476 -30.373 1.00 0.00 H new