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= 0.72 USER MOD Set 1.2: A 62 CYS SG : rot -47:sc= -0.167 USER MOD Set 1.3: A 80 CYS SG : rot -127:sc= -0.322 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0791 X(o=0.39,f=0.31) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= 0.242 USER MOD Single : A 38 THR OG1 : rot 30:sc= 0.113 USER MOD Single : A 55 SER OG : rot -37:sc= 0.147 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00163 F(o=-0.62,f=-0.0016) USER MOD Single : A 84 GLN : amide:sc= 0.206 K(o=0.21,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 11.543 -26.430 -23.341 1.00 0.00 N ATOM 235 CA THR A 38 12.939 -26.066 -23.670 1.00 0.00 C ATOM 236 C THR A 38 13.518 -27.005 -24.748 1.00 0.00 C ATOM 237 O THR A 38 14.148 -26.568 -25.725 1.00 0.00 O ATOM 238 CB THR A 38 13.831 -26.148 -22.383 1.00 0.00 C ATOM 239 OG1 THR A 38 13.263 -25.315 -21.354 1.00 0.00 O ATOM 240 CG2 THR A 38 15.287 -25.733 -22.652 1.00 0.00 C ATOM 0 HA THR A 38 12.938 -25.047 -24.057 1.00 0.00 H new ATOM 0 HB THR A 38 13.850 -27.188 -22.058 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.290 -25.279 -21.462 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.863 -25.807 -21.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.720 -26.392 -23.404 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.311 -24.705 -23.013 1.00 0.00 H new ATOM 248 N ILE A 39 13.255 -28.300 -24.557 1.00 0.00 N ATOM 249 CA ILE A 39 13.859 -29.378 -25.352 1.00 0.00 C ATOM 250 C ILE A 39 13.242 -29.408 -26.767 1.00 0.00 C ATOM 251 O ILE A 39 13.927 -29.677 -27.765 1.00 0.00 O ATOM 252 CB ILE A 39 13.672 -30.765 -24.629 1.00 0.00 C ATOM 253 CG1 ILE A 39 14.026 -30.663 -23.103 1.00 0.00 C ATOM 254 CG2 ILE A 39 14.494 -31.880 -25.321 1.00 0.00 C ATOM 255 CD1 ILE A 39 15.433 -30.173 -22.789 1.00 0.00 C ATOM 0 H ILE A 39 12.611 -28.635 -23.840 1.00 0.00 H new ATOM 0 HA ILE A 39 14.928 -29.187 -25.448 1.00 0.00 H new ATOM 0 HB ILE A 39 12.619 -31.036 -24.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.311 -29.992 -22.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.892 -31.645 -22.650 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.342 -32.823 -24.796 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.168 -31.984 -26.356 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.552 -31.619 -25.299 1.00 0.00 H new ATOM 0 HD11 ILE A 39 15.574 -30.139 -21.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 16.162 -30.854 -23.229 1.00 0.00 H new ATOM 0 HD13 ILE A 39 15.572 -29.175 -23.204 1.00 0.00 H new ATOM 267 N GLU A 40 11.940 -29.085 -26.835 1.00 0.00 N ATOM 268 CA GLU A 40 11.185 -29.043 -28.104 1.00 0.00 C ATOM 269 C GLU A 40 11.396 -27.693 -28.813 1.00 0.00 C ATOM 270 O GLU A 40 11.295 -27.617 -30.037 1.00 0.00 O ATOM 271 CB GLU A 40 9.679 -29.306 -27.846 1.00 0.00 C ATOM 272 CG GLU A 40 8.938 -28.180 -27.105 1.00 0.00 C ATOM 273 CD GLU A 40 7.528 -28.576 -26.652 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.588 -28.517 -27.475 1.00 0.00 O ATOM 275 OE2 GLU A 40 7.357 -28.969 -25.474 1.00 0.00 O ATOM 0 H GLU A 40 11.380 -28.846 -26.016 1.00 0.00 H new ATOM 0 HA GLU A 40 11.560 -29.830 -28.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.186 -29.475 -28.803 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.580 -30.226 -27.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.522 -27.883 -26.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.871 -27.309 -27.756 1.00 0.00 H new ATOM 282 N ASP A 41 11.695 -26.634 -28.023 1.00 0.00 N ATOM 283 CA ASP A 41 12.022 -25.285 -28.547 1.00 0.00 C ATOM 284 C ASP A 41 13.300 -25.337 -29.386 1.00 0.00 C ATOM 285 O ASP A 41 13.394 -24.676 -30.425 1.00 0.00 O ATOM 286 CB ASP A 41 12.200 -24.277 -27.379 1.00 0.00 C ATOM 287 CG ASP A 41 12.646 -22.866 -27.816 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.787 -22.059 -28.239 1.00 0.00 O ATOM 289 OD2 ASP A 41 13.853 -22.541 -27.699 1.00 0.00 O ATOM 0 H ASP A 41 11.716 -26.690 -27.005 1.00 0.00 H new ATOM 0 HA ASP A 41 11.197 -24.952 -29.177 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.257 -24.195 -26.839 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.934 -24.676 -26.679 1.00 0.00 H new ATOM 294 N ALA A 42 14.269 -26.140 -28.908 1.00 0.00 N ATOM 295 CA ALA A 42 15.538 -26.378 -29.609 1.00 0.00 C ATOM 296 C ALA A 42 15.284 -26.906 -31.035 1.00 0.00 C ATOM 297 O ALA A 42 15.769 -26.336 -32.014 1.00 0.00 O ATOM 298 CB ALA A 42 16.403 -27.361 -28.808 1.00 0.00 C ATOM 0 H ALA A 42 14.191 -26.641 -28.023 1.00 0.00 H new ATOM 0 HA ALA A 42 16.074 -25.432 -29.694 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.342 -27.532 -29.335 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.610 -26.944 -27.823 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.872 -28.306 -28.697 1.00 0.00 H new ATOM 304 N ILE A 43 14.465 -27.963 -31.118 1.00 0.00 N ATOM 305 CA ILE A 43 14.077 -28.615 -32.390 1.00 0.00 C ATOM 306 C ILE A 43 13.234 -27.659 -33.271 1.00 0.00 C ATOM 307 O ILE A 43 13.360 -27.637 -34.513 1.00 0.00 O ATOM 308 CB ILE A 43 13.260 -29.933 -32.099 1.00 0.00 C ATOM 309 CG1 ILE A 43 14.046 -30.887 -31.129 1.00 0.00 C ATOM 310 CG2 ILE A 43 12.864 -30.661 -33.409 1.00 0.00 C ATOM 311 CD1 ILE A 43 15.413 -31.342 -31.624 1.00 0.00 C ATOM 0 H ILE A 43 14.045 -28.400 -30.298 1.00 0.00 H new ATOM 0 HA ILE A 43 14.989 -28.868 -32.931 1.00 0.00 H new ATOM 0 HB ILE A 43 12.336 -29.641 -31.600 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.175 -30.379 -30.173 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.435 -31.770 -30.941 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.303 -31.564 -33.168 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.246 -30.002 -34.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.764 -30.930 -33.962 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.870 -31.995 -30.881 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.298 -31.884 -32.563 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.050 -30.472 -31.783 1.00 0.00 H new ATOM 323 N ALA A 44 12.399 -26.863 -32.590 1.00 0.00 N ATOM 324 CA ALA A 44 11.463 -25.918 -33.211 1.00 0.00 C ATOM 325 C ALA A 44 12.204 -24.824 -34.013 1.00 0.00 C ATOM 326 O ALA A 44 11.772 -24.450 -35.111 1.00 0.00 O ATOM 327 CB ALA A 44 10.575 -25.287 -32.123 1.00 0.00 C ATOM 0 H ALA A 44 12.355 -26.858 -31.571 1.00 0.00 H new ATOM 0 HA ALA A 44 10.839 -26.466 -33.917 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.879 -24.585 -32.583 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.015 -26.070 -31.611 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.201 -24.759 -31.404 1.00 0.00 H new ATOM 333 N ARG A 45 13.321 -24.316 -33.462 1.00 0.00 N ATOM 334 CA ARG A 45 14.153 -23.303 -34.137 1.00 0.00 C ATOM 335 C ARG A 45 15.281 -23.944 -34.974 1.00 0.00 C ATOM 336 O ARG A 45 15.865 -23.279 -35.836 1.00 0.00 O ATOM 337 CB ARG A 45 14.685 -22.257 -33.098 1.00 0.00 C ATOM 338 CG ARG A 45 15.543 -22.792 -31.911 1.00 0.00 C ATOM 339 CD ARG A 45 16.999 -23.114 -32.276 1.00 0.00 C ATOM 340 NE ARG A 45 17.761 -23.549 -31.088 1.00 0.00 N ATOM 341 CZ ARG A 45 18.528 -24.647 -30.996 1.00 0.00 C ATOM 342 NH1 ARG A 45 18.691 -25.473 -32.028 1.00 0.00 N ATOM 343 NH2 ARG A 45 19.122 -24.921 -29.847 1.00 0.00 N ATOM 0 H ARG A 45 13.670 -24.593 -32.545 1.00 0.00 H new ATOM 0 HA ARG A 45 13.529 -22.766 -34.851 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.280 -21.520 -33.637 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.826 -21.730 -32.682 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.537 -22.051 -31.111 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.073 -23.692 -31.515 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.023 -23.897 -33.034 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.471 -22.234 -32.712 1.00 0.00 H new ATOM 0 HE ARG A 45 17.699 -22.959 -30.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.227 -25.278 -32.915 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.279 -26.300 -31.931 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.994 -24.302 -29.046 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.708 -25.751 -29.761 1.00 0.00 H new ATOM 357 N ALA A 46 15.585 -25.235 -34.709 1.00 0.00 N ATOM 358 CA ALA A 46 16.681 -25.962 -35.392 1.00 0.00 C ATOM 359 C ALA A 46 16.337 -26.221 -36.867 1.00 0.00 C ATOM 360 O ALA A 46 16.923 -25.609 -37.773 1.00 0.00 O ATOM 361 CB ALA A 46 16.989 -27.288 -34.675 1.00 0.00 C ATOM 0 H ALA A 46 15.083 -25.798 -34.022 1.00 0.00 H new ATOM 0 HA ALA A 46 17.570 -25.333 -35.353 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.797 -27.804 -35.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.290 -27.085 -33.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.099 -27.917 -34.674 1.00 0.00 H new ATOM 367 N ARG A 47 15.347 -27.098 -37.100 1.00 0.00 N ATOM 368 CA ARG A 47 14.910 -27.485 -38.459 1.00 0.00 C ATOM 369 C ARG A 47 13.431 -27.141 -38.703 1.00 0.00 C ATOM 370 O ARG A 47 12.850 -27.567 -39.705 1.00 0.00 O ATOM 371 CB ARG A 47 15.239 -28.996 -38.707 1.00 0.00 C ATOM 372 CG ARG A 47 14.794 -30.013 -37.609 1.00 0.00 C ATOM 373 CD ARG A 47 13.281 -30.315 -37.593 1.00 0.00 C ATOM 374 NE ARG A 47 12.770 -30.724 -38.925 1.00 0.00 N ATOM 375 CZ ARG A 47 11.865 -31.690 -39.161 1.00 0.00 C ATOM 376 NH1 ARG A 47 11.397 -32.438 -38.178 1.00 0.00 N ATOM 377 NH2 ARG A 47 11.444 -31.907 -40.391 1.00 0.00 N ATOM 0 H ARG A 47 14.825 -27.560 -36.355 1.00 0.00 H new ATOM 0 HA ARG A 47 15.466 -26.901 -39.192 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.777 -29.292 -39.649 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.317 -29.090 -38.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.337 -30.947 -37.755 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.085 -29.625 -36.633 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.079 -31.106 -36.871 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.741 -29.431 -37.256 1.00 0.00 H new ATOM 0 HE ARG A 47 13.139 -30.227 -39.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.722 -32.287 -37.223 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.711 -33.167 -38.374 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.805 -31.343 -41.160 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.758 -32.639 -40.573 1.00 0.00 H new ATOM 391 N GLY A 48 12.850 -26.347 -37.780 1.00 0.00 N ATOM 392 CA GLY A 48 11.486 -25.833 -37.921 1.00 0.00 C ATOM 393 C GLY A 48 10.409 -26.907 -37.919 1.00 0.00 C ATOM 394 O GLY A 48 9.519 -26.900 -38.776 1.00 0.00 O ATOM 0 H GLY A 48 13.316 -26.050 -36.923 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.288 -25.135 -37.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.417 -25.268 -38.851 1.00 0.00 H new ATOM 398 N GLU A 49 10.495 -27.829 -36.948 1.00 0.00 N ATOM 399 CA GLU A 49 9.531 -28.934 -36.813 1.00 0.00 C ATOM 400 C GLU A 49 8.185 -28.388 -36.303 1.00 0.00 C ATOM 401 O GLU A 49 7.147 -28.539 -36.962 1.00 0.00 O ATOM 402 CB GLU A 49 10.086 -30.011 -35.849 1.00 0.00 C ATOM 403 CG GLU A 49 9.240 -31.298 -35.763 1.00 0.00 C ATOM 404 CD GLU A 49 9.895 -32.393 -34.903 1.00 0.00 C ATOM 405 OE1 GLU A 49 10.768 -33.129 -35.419 1.00 0.00 O ATOM 406 OE2 GLU A 49 9.563 -32.510 -33.712 1.00 0.00 O ATOM 0 H GLU A 49 11.228 -27.831 -36.239 1.00 0.00 H new ATOM 0 HA GLU A 49 9.374 -29.397 -37.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.095 -30.276 -36.165 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.167 -29.579 -34.852 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.261 -31.056 -35.349 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.074 -31.685 -36.768 1.00 0.00 H new ATOM 413 N ILE A 50 8.223 -27.753 -35.116 1.00 0.00 N ATOM 414 CA ILE A 50 7.073 -27.042 -34.536 1.00 0.00 C ATOM 415 C ILE A 50 7.325 -25.509 -34.595 1.00 0.00 C ATOM 416 O ILE A 50 8.456 -25.064 -34.423 1.00 0.00 O ATOM 417 CB ILE A 50 6.783 -27.548 -33.056 1.00 0.00 C ATOM 418 CG1 ILE A 50 6.202 -29.007 -33.096 1.00 0.00 C ATOM 419 CG2 ILE A 50 5.855 -26.584 -32.261 1.00 0.00 C ATOM 420 CD1 ILE A 50 5.572 -29.494 -31.798 1.00 0.00 C ATOM 0 H ILE A 50 9.058 -27.720 -34.531 1.00 0.00 H new ATOM 0 HA ILE A 50 6.179 -27.259 -35.121 1.00 0.00 H new ATOM 0 HB ILE A 50 7.731 -27.559 -32.518 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.453 -29.060 -33.886 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.004 -29.692 -33.370 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.692 -26.980 -31.259 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.324 -25.602 -32.191 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.898 -26.493 -32.775 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.202 -30.511 -31.932 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.319 -29.481 -31.004 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.743 -28.839 -31.528 1.00 0.00 H new ATOM 492 N SER A 55 -1.782 -23.075 -33.280 1.00 0.00 N ATOM 493 CA SER A 55 -3.168 -23.306 -32.911 1.00 0.00 C ATOM 494 C SER A 55 -3.353 -24.744 -32.378 1.00 0.00 C ATOM 495 O SER A 55 -3.051 -25.715 -33.082 1.00 0.00 O ATOM 496 CB SER A 55 -4.018 -23.047 -34.157 1.00 0.00 C ATOM 497 OG SER A 55 -3.525 -23.756 -35.286 1.00 0.00 O ATOM 0 HA SER A 55 -3.478 -22.637 -32.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.049 -23.344 -33.963 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.029 -21.979 -34.374 1.00 0.00 H new ATOM 0 HG SER A 55 -2.545 -23.772 -35.260 1.00 0.00 H new ATOM 503 N LEU A 56 -3.821 -24.860 -31.125 1.00 0.00 N ATOM 504 CA LEU A 56 -4.007 -26.159 -30.446 1.00 0.00 C ATOM 505 C LEU A 56 -5.310 -26.857 -30.911 1.00 0.00 C ATOM 506 O LEU A 56 -6.073 -26.295 -31.707 1.00 0.00 O ATOM 507 CB LEU A 56 -3.945 -25.971 -28.887 1.00 0.00 C ATOM 508 CG LEU A 56 -4.705 -24.739 -28.282 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.220 -24.830 -28.478 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.363 -24.508 -26.795 1.00 0.00 C ATOM 0 H LEU A 56 -4.082 -24.058 -30.551 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.189 -26.823 -30.727 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.341 -26.874 -28.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.897 -25.897 -28.597 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.351 -23.873 -28.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.697 -23.953 -28.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.447 -24.874 -29.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.597 -25.729 -27.990 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.915 -23.644 -26.425 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.639 -25.390 -26.217 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.293 -24.327 -26.692 1.00 0.00 H new ATOM 522 N ASP A 57 -5.562 -28.071 -30.380 1.00 0.00 N ATOM 523 CA ASP A 57 -6.732 -28.907 -30.767 1.00 0.00 C ATOM 524 C ASP A 57 -7.775 -29.009 -29.626 1.00 0.00 C ATOM 525 O ASP A 57 -8.845 -29.605 -29.809 1.00 0.00 O ATOM 526 CB ASP A 57 -6.257 -30.327 -31.190 1.00 0.00 C ATOM 527 CG ASP A 57 -5.668 -31.149 -30.027 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.584 -30.782 -29.524 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.284 -32.158 -29.612 1.00 0.00 O ATOM 0 H ASP A 57 -4.967 -28.504 -29.673 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.219 -28.421 -31.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.099 -30.870 -31.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.506 -30.232 -31.974 1.00 0.00 H new ATOM 534 N GLU A 58 -7.477 -28.371 -28.473 1.00 0.00 N ATOM 535 CA GLU A 58 -8.296 -28.457 -27.232 1.00 0.00 C ATOM 536 C GLU A 58 -8.280 -27.110 -26.476 1.00 0.00 C ATOM 537 O GLU A 58 -7.224 -26.637 -26.052 1.00 0.00 O ATOM 538 CB GLU A 58 -7.811 -29.597 -26.290 1.00 0.00 C ATOM 539 CG GLU A 58 -8.094 -31.018 -26.806 1.00 0.00 C ATOM 540 CD GLU A 58 -7.642 -32.105 -25.823 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.466 -32.513 -25.871 1.00 0.00 O ATOM 542 OE2 GLU A 58 -8.456 -32.540 -24.985 1.00 0.00 O ATOM 0 H GLU A 58 -6.655 -27.775 -28.371 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.316 -28.688 -27.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.738 -29.489 -26.133 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.289 -29.476 -25.318 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.162 -31.126 -26.995 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.586 -31.162 -27.759 1.00 0.00 H new ATOM 549 N CYS A 59 -9.474 -26.519 -26.351 1.00 0.00 N ATOM 550 CA CYS A 59 -9.751 -25.258 -25.617 1.00 0.00 C ATOM 551 C CYS A 59 -9.132 -25.231 -24.209 1.00 0.00 C ATOM 552 O CYS A 59 -9.354 -26.145 -23.436 1.00 0.00 O ATOM 553 CB CYS A 59 -11.276 -25.137 -25.524 1.00 0.00 C ATOM 554 SG CYS A 59 -11.915 -23.686 -24.655 1.00 0.00 S ATOM 0 H CYS A 59 -10.314 -26.915 -26.772 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.300 -24.422 -26.152 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.681 -25.135 -26.536 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.660 -26.029 -25.029 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.085 -23.377 -25.129 1.00 0.00 H new ATOM 559 N GLU A 60 -8.393 -24.159 -23.882 1.00 0.00 N ATOM 560 CA GLU A 60 -7.711 -24.013 -22.577 1.00 0.00 C ATOM 561 C GLU A 60 -8.712 -23.796 -21.410 1.00 0.00 C ATOM 562 O GLU A 60 -8.361 -23.967 -20.244 1.00 0.00 O ATOM 563 CB GLU A 60 -6.708 -22.819 -22.640 1.00 0.00 C ATOM 564 CG GLU A 60 -7.383 -21.440 -22.827 1.00 0.00 C ATOM 565 CD GLU A 60 -6.428 -20.231 -22.809 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.345 -20.313 -22.192 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.774 -19.184 -23.398 1.00 0.00 O ATOM 0 H GLU A 60 -8.249 -23.368 -24.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.177 -24.943 -22.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.120 -22.803 -21.722 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.012 -22.986 -23.462 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.921 -21.443 -23.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.125 -21.308 -22.040 1.00 0.00 H new ATOM 574 N GLU A 61 -9.960 -23.414 -21.750 1.00 0.00 N ATOM 575 CA GLU A 61 -10.993 -23.020 -20.769 1.00 0.00 C ATOM 576 C GLU A 61 -11.862 -24.213 -20.368 1.00 0.00 C ATOM 577 O GLU A 61 -12.099 -24.456 -19.184 1.00 0.00 O ATOM 578 CB GLU A 61 -11.887 -21.907 -21.376 1.00 0.00 C ATOM 579 CG GLU A 61 -11.120 -20.663 -21.842 1.00 0.00 C ATOM 580 CD GLU A 61 -10.451 -19.876 -20.693 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.116 -18.999 -20.108 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.262 -20.118 -20.373 1.00 0.00 O ATOM 0 H GLU A 61 -10.281 -23.370 -22.717 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.491 -22.649 -19.876 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.435 -22.320 -22.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.626 -21.606 -20.634 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.354 -20.966 -22.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.806 -20.002 -22.371 1.00 0.00 H new ATOM 589 N CYS A 62 -12.338 -24.969 -21.376 1.00 0.00 N ATOM 590 CA CYS A 62 -13.345 -26.024 -21.149 1.00 0.00 C ATOM 591 C CYS A 62 -12.990 -27.332 -21.894 1.00 0.00 C ATOM 592 O CYS A 62 -13.798 -28.254 -21.941 1.00 0.00 O ATOM 593 CB CYS A 62 -14.756 -25.495 -21.538 1.00 0.00 C ATOM 594 SG CYS A 62 -15.113 -25.368 -23.323 1.00 0.00 S ATOM 0 H CYS A 62 -12.044 -24.870 -22.348 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.351 -26.274 -20.088 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.502 -26.149 -21.086 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -14.885 -24.508 -21.093 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.117 -24.788 -23.925 1.00 0.00 H new ATOM 599 N GLY A 63 -11.741 -27.408 -22.425 1.00 0.00 N ATOM 600 CA GLY A 63 -11.224 -28.600 -23.143 1.00 0.00 C ATOM 601 C GLY A 63 -12.040 -29.041 -24.363 1.00 0.00 C ATOM 602 O GLY A 63 -11.905 -30.175 -24.825 1.00 0.00 O ATOM 0 H GLY A 63 -11.067 -26.645 -22.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.203 -28.394 -23.466 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.174 -29.432 -22.441 1.00 0.00 H new ATOM 606 N ALA A 64 -12.866 -28.128 -24.892 1.00 0.00 N ATOM 607 CA ALA A 64 -13.747 -28.414 -26.040 1.00 0.00 C ATOM 608 C ALA A 64 -12.934 -28.514 -27.351 1.00 0.00 C ATOM 609 O ALA A 64 -11.982 -27.734 -27.536 1.00 0.00 O ATOM 610 CB ALA A 64 -14.831 -27.333 -26.149 1.00 0.00 C ATOM 0 H ALA A 64 -12.945 -27.174 -24.540 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.229 -29.378 -25.877 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.478 -27.551 -26.999 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.425 -27.320 -25.235 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.361 -26.360 -26.291 1.00 0.00 H new ATOM 616 N PRO A 65 -13.314 -29.451 -28.290 1.00 0.00 N ATOM 617 CA PRO A 65 -12.551 -29.696 -29.536 1.00 0.00 C ATOM 618 C PRO A 65 -12.502 -28.439 -30.438 1.00 0.00 C ATOM 619 O PRO A 65 -13.530 -27.971 -30.938 1.00 0.00 O ATOM 620 CB PRO A 65 -13.317 -30.871 -30.211 1.00 0.00 C ATOM 621 CG PRO A 65 -14.698 -30.812 -29.629 1.00 0.00 C ATOM 622 CD PRO A 65 -14.518 -30.329 -28.207 1.00 0.00 C ATOM 0 HA PRO A 65 -11.504 -29.935 -29.348 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.339 -30.758 -31.295 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.839 -31.828 -30.000 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.334 -30.133 -30.196 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.176 -31.791 -29.653 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.392 -29.781 -27.855 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.364 -31.159 -27.517 1.00 0.00 H new ATOM 630 N ILE A 66 -11.290 -27.876 -30.569 1.00 0.00 N ATOM 631 CA ILE A 66 -11.016 -26.694 -31.405 1.00 0.00 C ATOM 632 C ILE A 66 -11.254 -27.026 -32.893 1.00 0.00 C ATOM 633 O ILE A 66 -10.653 -27.982 -33.401 1.00 0.00 O ATOM 634 CB ILE A 66 -9.529 -26.212 -31.183 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.297 -25.829 -29.699 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.145 -25.039 -32.124 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.798 -24.473 -29.296 1.00 0.00 C ATOM 0 H ILE A 66 -10.462 -28.233 -30.092 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.694 -25.891 -31.116 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.876 -27.048 -31.435 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.779 -26.577 -29.069 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.228 -25.879 -29.492 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.113 -24.743 -31.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.246 -25.357 -33.162 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.806 -24.192 -31.938 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.586 -24.306 -28.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.299 -23.709 -29.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.874 -24.418 -29.463 1.00 0.00 H new ATOM 649 N PRO A 67 -12.144 -26.266 -33.610 1.00 0.00 N ATOM 650 CA PRO A 67 -12.357 -26.468 -35.054 1.00 0.00 C ATOM 651 C PRO A 67 -11.149 -25.954 -35.862 1.00 0.00 C ATOM 652 O PRO A 67 -10.518 -24.946 -35.489 1.00 0.00 O ATOM 653 CB PRO A 67 -13.645 -25.659 -35.349 1.00 0.00 C ATOM 654 CG PRO A 67 -13.652 -24.576 -34.320 1.00 0.00 C ATOM 655 CD PRO A 67 -13.002 -25.168 -33.080 1.00 0.00 C ATOM 0 HA PRO A 67 -12.459 -27.516 -35.334 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.632 -25.247 -36.358 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.534 -26.286 -35.271 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.101 -23.703 -34.670 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.669 -24.247 -34.107 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.412 -24.424 -32.545 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.748 -25.547 -32.381 1.00 0.00 H new ATOM 663 N GLN A 68 -10.846 -26.649 -36.972 1.00 0.00 N ATOM 664 CA GLN A 68 -9.720 -26.311 -37.858 1.00 0.00 C ATOM 665 C GLN A 68 -9.908 -24.918 -38.489 1.00 0.00 C ATOM 666 O GLN A 68 -8.941 -24.309 -38.945 1.00 0.00 O ATOM 667 CB GLN A 68 -9.533 -27.408 -38.951 1.00 0.00 C ATOM 668 CG GLN A 68 -10.656 -27.499 -40.034 1.00 0.00 C ATOM 669 CD GLN A 68 -10.286 -26.926 -41.425 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.369 -25.956 -41.488 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.821 -27.366 -42.446 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.377 -27.463 -37.280 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.812 -26.277 -37.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.583 -27.231 -39.456 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.455 -28.376 -38.456 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.937 -28.545 -40.154 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.536 -26.972 -39.665 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.519 -28.107 -42.377 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.565 -26.989 -43.359 1.00 0.00 H new ATOM 680 N ALA A 69 -11.173 -24.448 -38.500 1.00 0.00 N ATOM 681 CA ALA A 69 -11.552 -23.116 -38.987 1.00 0.00 C ATOM 682 C ALA A 69 -10.904 -22.031 -38.108 1.00 0.00 C ATOM 683 O ALA A 69 -10.298 -21.087 -38.616 1.00 0.00 O ATOM 684 CB ALA A 69 -13.090 -22.976 -38.995 1.00 0.00 C ATOM 0 H ALA A 69 -11.966 -24.995 -38.165 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.192 -22.989 -40.008 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.363 -21.985 -39.358 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.521 -23.733 -39.650 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.473 -23.111 -37.983 1.00 0.00 H new ATOM 690 N ARG A 70 -11.016 -22.204 -36.774 1.00 0.00 N ATOM 691 CA ARG A 70 -10.387 -21.300 -35.784 1.00 0.00 C ATOM 692 C ARG A 70 -8.860 -21.440 -35.798 1.00 0.00 C ATOM 693 O ARG A 70 -8.142 -20.473 -35.529 1.00 0.00 O ATOM 694 CB ARG A 70 -10.942 -21.554 -34.355 1.00 0.00 C ATOM 695 CG ARG A 70 -12.431 -21.168 -34.149 1.00 0.00 C ATOM 696 CD ARG A 70 -12.706 -19.642 -34.177 1.00 0.00 C ATOM 697 NE ARG A 70 -12.562 -19.047 -35.521 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.325 -17.755 -35.780 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.247 -16.860 -34.811 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.192 -17.355 -37.021 1.00 0.00 N ATOM 0 H ARG A 70 -11.542 -22.970 -36.353 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.639 -20.279 -36.070 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.820 -22.611 -34.117 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.336 -20.995 -33.642 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.029 -21.647 -34.924 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.769 -21.568 -33.193 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.715 -19.455 -33.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.021 -19.144 -33.491 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.651 -19.674 -36.320 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.368 -17.148 -33.840 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.065 -15.881 -35.034 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.269 -18.027 -37.784 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.011 -16.372 -37.223 1.00 0.00 H new ATOM 714 N ARG A 71 -8.371 -22.660 -36.097 1.00 0.00 N ATOM 715 CA ARG A 71 -6.926 -22.948 -36.129 1.00 0.00 C ATOM 716 C ARG A 71 -6.211 -22.177 -37.256 1.00 0.00 C ATOM 717 O ARG A 71 -5.209 -21.496 -37.013 1.00 0.00 O ATOM 718 CB ARG A 71 -6.643 -24.468 -36.282 1.00 0.00 C ATOM 719 CG ARG A 71 -7.168 -25.354 -35.130 1.00 0.00 C ATOM 720 CD ARG A 71 -6.606 -26.792 -35.179 1.00 0.00 C ATOM 721 NE ARG A 71 -6.685 -27.376 -36.535 1.00 0.00 N ATOM 722 CZ ARG A 71 -6.414 -28.649 -36.850 1.00 0.00 C ATOM 723 NH1 ARG A 71 -6.131 -29.538 -35.907 1.00 0.00 N ATOM 724 NH2 ARG A 71 -6.447 -29.028 -38.114 1.00 0.00 N ATOM 0 H ARG A 71 -8.959 -23.463 -36.320 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.529 -22.613 -35.171 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.088 -24.812 -37.216 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.566 -24.614 -36.370 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.903 -24.897 -34.176 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.256 -25.392 -35.174 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.568 -26.786 -34.848 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.160 -27.421 -34.482 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.970 -26.757 -37.294 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.118 -29.255 -34.927 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.927 -30.504 -36.162 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.678 -28.353 -38.843 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.242 -29.996 -38.362 1.00 0.00 H new ATOM 738 N GLU A 72 -6.744 -22.280 -38.484 1.00 0.00 N ATOM 739 CA GLU A 72 -6.095 -21.702 -39.679 1.00 0.00 C ATOM 740 C GLU A 72 -6.315 -20.183 -39.734 1.00 0.00 C ATOM 741 O GLU A 72 -5.456 -19.441 -40.233 1.00 0.00 O ATOM 742 CB GLU A 72 -6.571 -22.436 -40.971 1.00 0.00 C ATOM 743 CG GLU A 72 -8.076 -22.318 -41.339 1.00 0.00 C ATOM 744 CD GLU A 72 -8.436 -21.060 -42.153 1.00 0.00 C ATOM 745 OE1 GLU A 72 -7.963 -20.928 -43.300 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.177 -20.194 -41.650 1.00 0.00 O ATOM 0 H GLU A 72 -7.624 -22.758 -38.679 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.018 -21.857 -39.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.987 -22.057 -41.810 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.330 -23.494 -40.867 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.368 -23.200 -41.908 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.663 -22.322 -40.421 1.00 0.00 H new ATOM 753 N ALA A 73 -7.472 -19.739 -39.213 1.00 0.00 N ATOM 754 CA ALA A 73 -7.811 -18.309 -39.095 1.00 0.00 C ATOM 755 C ALA A 73 -6.914 -17.624 -38.058 1.00 0.00 C ATOM 756 O ALA A 73 -6.432 -16.510 -38.285 1.00 0.00 O ATOM 757 CB ALA A 73 -9.294 -18.123 -38.724 1.00 0.00 C ATOM 0 H ALA A 73 -8.199 -20.362 -38.861 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.640 -17.843 -40.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.518 -17.059 -38.643 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.921 -18.568 -39.497 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.494 -18.610 -37.769 1.00 0.00 H new ATOM 763 N ILE A 74 -6.701 -18.306 -36.910 1.00 0.00 N ATOM 764 CA ILE A 74 -5.903 -17.776 -35.784 1.00 0.00 C ATOM 765 C ILE A 74 -4.714 -18.724 -35.508 1.00 0.00 C ATOM 766 O ILE A 74 -4.884 -19.726 -34.794 1.00 0.00 O ATOM 767 CB ILE A 74 -6.766 -17.630 -34.465 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.171 -17.020 -34.769 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.006 -16.802 -33.391 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.113 -16.982 -33.578 1.00 0.00 C ATOM 0 H ILE A 74 -7.078 -19.238 -36.739 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.547 -16.785 -36.066 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.927 -18.629 -34.060 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.039 -16.005 -35.144 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.638 -17.597 -35.567 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.621 -16.717 -32.495 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.069 -17.301 -33.142 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.794 -15.807 -33.782 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.064 -16.543 -33.880 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.280 -17.996 -33.214 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.672 -16.380 -32.784 1.00 0.00 H new ATOM 782 N PRO A 75 -3.502 -18.463 -36.099 1.00 0.00 N ATOM 783 CA PRO A 75 -2.281 -19.248 -35.804 1.00 0.00 C ATOM 784 C PRO A 75 -1.814 -19.013 -34.347 1.00 0.00 C ATOM 785 O PRO A 75 -0.978 -18.144 -34.066 1.00 0.00 O ATOM 786 CB PRO A 75 -1.256 -18.740 -36.856 1.00 0.00 C ATOM 787 CG PRO A 75 -1.723 -17.358 -37.204 1.00 0.00 C ATOM 788 CD PRO A 75 -3.235 -17.405 -37.117 1.00 0.00 C ATOM 0 HA PRO A 75 -2.427 -20.326 -35.874 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.245 -18.726 -36.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.237 -19.385 -37.735 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.313 -16.620 -36.514 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.397 -17.074 -38.204 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.648 -16.443 -36.812 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.683 -17.654 -38.079 1.00 0.00 H new ATOM 796 N GLY A 76 -2.435 -19.762 -33.428 1.00 0.00 N ATOM 797 CA GLY A 76 -2.204 -19.620 -31.988 1.00 0.00 C ATOM 798 C GLY A 76 -3.512 -19.460 -31.211 1.00 0.00 C ATOM 799 O GLY A 76 -3.532 -18.824 -30.147 1.00 0.00 O ATOM 0 H GLY A 76 -3.114 -20.486 -33.664 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.668 -20.494 -31.619 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.566 -18.755 -31.807 1.00 0.00 H new ATOM 803 N VAL A 77 -4.614 -20.043 -31.744 1.00 0.00 N ATOM 804 CA VAL A 77 -5.913 -20.060 -31.047 1.00 0.00 C ATOM 805 C VAL A 77 -5.825 -20.977 -29.818 1.00 0.00 C ATOM 806 O VAL A 77 -5.115 -21.988 -29.838 1.00 0.00 O ATOM 807 CB VAL A 77 -7.108 -20.514 -31.982 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.989 -21.985 -32.431 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.476 -20.251 -31.306 1.00 0.00 C ATOM 0 H VAL A 77 -4.624 -20.505 -32.653 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.129 -19.037 -30.739 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.044 -19.905 -32.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.835 -22.240 -33.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.061 -22.122 -32.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.987 -22.634 -31.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.278 -20.572 -31.971 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.533 -20.809 -30.372 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.581 -19.186 -31.099 1.00 0.00 H new ATOM 819 N ARG A 78 -6.524 -20.588 -28.748 1.00 0.00 N ATOM 820 CA ARG A 78 -6.573 -21.331 -27.476 1.00 0.00 C ATOM 821 C ARG A 78 -8.025 -21.448 -26.960 1.00 0.00 C ATOM 822 O ARG A 78 -8.278 -22.031 -25.908 1.00 0.00 O ATOM 823 CB ARG A 78 -5.596 -20.704 -26.415 1.00 0.00 C ATOM 824 CG ARG A 78 -5.227 -19.199 -26.587 1.00 0.00 C ATOM 825 CD ARG A 78 -6.447 -18.264 -26.580 1.00 0.00 C ATOM 826 NE ARG A 78 -6.096 -16.838 -26.683 1.00 0.00 N ATOM 827 CZ ARG A 78 -5.744 -16.195 -27.806 1.00 0.00 C ATOM 828 NH1 ARG A 78 -5.496 -16.854 -28.936 1.00 0.00 N ATOM 829 NH2 ARG A 78 -5.594 -14.888 -27.775 1.00 0.00 N ATOM 0 H ARG A 78 -7.082 -19.735 -28.736 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.223 -22.348 -27.655 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.042 -20.832 -25.429 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.672 -21.282 -26.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.549 -18.905 -25.785 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.686 -19.071 -27.525 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.103 -18.529 -27.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.013 -18.425 -25.662 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.123 -16.290 -25.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.572 -17.871 -28.961 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.230 -16.342 -29.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.745 -14.378 -26.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.327 -14.385 -28.621 1.00 0.00 H new ATOM 843 N LEU A 79 -8.983 -20.927 -27.738 1.00 0.00 N ATOM 844 CA LEU A 79 -10.413 -20.885 -27.356 1.00 0.00 C ATOM 845 C LEU A 79 -11.270 -21.595 -28.411 1.00 0.00 C ATOM 846 O LEU A 79 -11.107 -21.345 -29.609 1.00 0.00 O ATOM 847 CB LEU A 79 -10.853 -19.406 -27.206 1.00 0.00 C ATOM 848 CG LEU A 79 -10.068 -18.587 -26.143 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.395 -17.084 -26.221 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.322 -19.140 -24.737 1.00 0.00 C ATOM 0 H LEU A 79 -8.794 -20.520 -28.654 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.551 -21.402 -26.406 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.748 -18.912 -28.172 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.912 -19.383 -26.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.006 -18.693 -26.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.826 -16.548 -25.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.130 -16.705 -27.208 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.461 -16.934 -26.049 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.763 -18.552 -24.009 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.387 -19.082 -24.510 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.997 -20.179 -24.691 1.00 0.00 H new ATOM 862 N CYS A 80 -12.164 -22.509 -27.959 1.00 0.00 N ATOM 863 CA CYS A 80 -13.106 -23.232 -28.864 1.00 0.00 C ATOM 864 C CYS A 80 -14.121 -22.236 -29.416 1.00 0.00 C ATOM 865 O CYS A 80 -14.311 -21.217 -28.785 1.00 0.00 O ATOM 866 CB CYS A 80 -13.822 -24.379 -28.113 1.00 0.00 C ATOM 867 SG CYS A 80 -15.027 -23.832 -26.855 1.00 0.00 S ATOM 0 H CYS A 80 -12.256 -22.766 -26.976 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.546 -23.678 -29.686 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.337 -25.006 -28.841 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.071 -25.003 -27.629 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.765 -24.412 -25.722 1.00 0.00 H new ATOM 872 N ILE A 81 -14.809 -22.559 -30.538 1.00 0.00 N ATOM 873 CA ILE A 81 -15.675 -21.592 -31.285 1.00 0.00 C ATOM 874 C ILE A 81 -16.693 -20.867 -30.356 1.00 0.00 C ATOM 875 O ILE A 81 -17.049 -19.709 -30.585 1.00 0.00 O ATOM 876 CB ILE A 81 -16.437 -22.321 -32.467 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.253 -21.303 -33.335 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.343 -23.475 -31.949 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.039 -21.927 -34.479 1.00 0.00 C ATOM 0 H ILE A 81 -14.785 -23.490 -30.955 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.014 -20.831 -31.700 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.678 -22.770 -33.108 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.946 -20.767 -32.686 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.565 -20.564 -33.746 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.847 -23.948 -32.792 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.731 -24.214 -31.431 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.086 -23.073 -31.261 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.571 -21.147 -35.023 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.354 -22.438 -35.155 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.756 -22.644 -34.079 1.00 0.00 H new ATOM 891 N HIS A 82 -17.070 -21.560 -29.271 1.00 0.00 N ATOM 892 CA HIS A 82 -17.983 -21.056 -28.225 1.00 0.00 C ATOM 893 C HIS A 82 -17.279 -19.981 -27.356 1.00 0.00 C ATOM 894 O HIS A 82 -17.736 -18.835 -27.293 1.00 0.00 O ATOM 895 CB HIS A 82 -18.494 -22.250 -27.358 1.00 0.00 C ATOM 896 CG HIS A 82 -18.994 -23.417 -28.170 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.275 -23.504 -28.663 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.349 -24.518 -28.624 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.394 -24.606 -29.379 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.237 -25.235 -29.370 1.00 0.00 N ATOM 0 H HIS A 82 -16.743 -22.509 -29.089 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.843 -20.579 -28.695 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.686 -22.589 -26.710 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.297 -21.899 -26.709 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.319 -24.780 -28.430 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.288 -24.936 -29.886 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.038 -26.116 -29.844 1.00 0.00 H new ATOM 909 N CYS A 83 -16.132 -20.351 -26.729 1.00 0.00 N ATOM 910 CA CYS A 83 -15.328 -19.416 -25.887 1.00 0.00 C ATOM 911 C CYS A 83 -14.587 -18.363 -26.743 1.00 0.00 C ATOM 912 O CYS A 83 -14.066 -17.385 -26.204 1.00 0.00 O ATOM 913 CB CYS A 83 -14.279 -20.162 -25.021 1.00 0.00 C ATOM 914 SG CYS A 83 -14.923 -21.478 -23.953 1.00 0.00 S ATOM 0 H CYS A 83 -15.740 -21.291 -26.789 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.047 -18.920 -25.235 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.530 -20.594 -25.685 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.767 -19.431 -24.395 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.089 -22.562 -24.652 1.00 0.00 H new ATOM 919 N GLN A 84 -14.466 -18.602 -28.057 1.00 0.00 N ATOM 920 CA GLN A 84 -13.697 -17.732 -28.958 1.00 0.00 C ATOM 921 C GLN A 84 -14.559 -16.557 -29.436 1.00 0.00 C ATOM 922 O GLN A 84 -14.156 -15.405 -29.285 1.00 0.00 O ATOM 923 CB GLN A 84 -13.117 -18.540 -30.166 1.00 0.00 C ATOM 924 CG GLN A 84 -11.750 -18.051 -30.707 1.00 0.00 C ATOM 925 CD GLN A 84 -11.710 -16.563 -31.058 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.052 -16.174 -32.164 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.296 -15.724 -30.114 1.00 0.00 N ATOM 0 H GLN A 84 -14.897 -19.400 -28.523 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.852 -17.327 -28.401 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.016 -19.583 -29.867 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.841 -18.510 -30.980 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.982 -18.258 -29.962 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.496 -18.629 -31.595 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.017 -16.082 -29.200 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.257 -14.722 -30.303 1.00 0.00 H new