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 150:sc= 0.979 USER MOD Set 1.2: A 62 CYS SG : rot -43:sc= 0.25 USER MOD Set 1.3: A 80 CYS SG : rot -132:sc= 0.522 USER MOD Set 1.4: A 83 CYS SG : rot 82:sc= 0.263 USER MOD Single : A 38 THR OG1 : rot 31:sc= 0.0841 USER MOD Single : A 55 SER OG : rot 37:sc= -1.06 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0183 F(o=-0.72,f=-0.018) USER MOD Single : A 82 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.037) USER MOD Single : A 84 GLN : amide:sc= -0.262 K(o=-0.26,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 3.997 -14.636 -22.057 1.00 0.00 N ATOM 235 CA THR A 38 5.313 -14.159 -21.584 1.00 0.00 C ATOM 236 C THR A 38 6.109 -15.295 -20.899 1.00 0.00 C ATOM 237 O THR A 38 7.277 -15.548 -21.224 1.00 0.00 O ATOM 238 CB THR A 38 5.133 -12.960 -20.585 1.00 0.00 C ATOM 239 OG1 THR A 38 4.413 -11.898 -21.233 1.00 0.00 O ATOM 240 CG2 THR A 38 6.484 -12.423 -20.062 1.00 0.00 C ATOM 0 HA THR A 38 5.876 -13.822 -22.454 1.00 0.00 H new ATOM 0 HB THR A 38 4.573 -13.331 -19.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.795 -12.277 -21.893 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.305 -11.595 -19.375 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.015 -13.219 -19.540 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.086 -12.075 -20.901 1.00 0.00 H new ATOM 248 N ILE A 39 5.434 -15.991 -19.980 1.00 0.00 N ATOM 249 CA ILE A 39 6.066 -16.985 -19.087 1.00 0.00 C ATOM 250 C ILE A 39 6.350 -18.283 -19.865 1.00 0.00 C ATOM 251 O ILE A 39 7.390 -18.922 -19.676 1.00 0.00 O ATOM 252 CB ILE A 39 5.177 -17.308 -17.808 1.00 0.00 C ATOM 253 CG1 ILE A 39 4.775 -16.002 -17.017 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.894 -18.321 -16.867 1.00 0.00 C ATOM 255 CD1 ILE A 39 3.631 -15.186 -17.615 1.00 0.00 C ATOM 0 H ILE A 39 4.431 -15.886 -19.828 1.00 0.00 H new ATOM 0 HA ILE A 39 7.000 -16.550 -18.731 1.00 0.00 H new ATOM 0 HB ILE A 39 4.256 -17.765 -18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.501 -16.286 -16.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.653 -15.361 -16.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.263 -18.523 -16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.079 -19.250 -17.406 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.843 -17.900 -16.534 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.441 -14.313 -16.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.902 -14.861 -18.619 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.732 -15.800 -17.663 1.00 0.00 H new ATOM 267 N GLU A 40 5.428 -18.634 -20.775 1.00 0.00 N ATOM 268 CA GLU A 40 5.528 -19.863 -21.579 1.00 0.00 C ATOM 269 C GLU A 40 6.610 -19.713 -22.673 1.00 0.00 C ATOM 270 O GLU A 40 7.184 -20.705 -23.122 1.00 0.00 O ATOM 271 CB GLU A 40 4.148 -20.214 -22.185 1.00 0.00 C ATOM 272 CG GLU A 40 3.688 -19.289 -23.322 1.00 0.00 C ATOM 273 CD GLU A 40 2.290 -19.634 -23.855 1.00 0.00 C ATOM 274 OE1 GLU A 40 2.176 -20.498 -24.748 1.00 0.00 O ATOM 275 OE2 GLU A 40 1.295 -19.040 -23.384 1.00 0.00 O ATOM 0 H GLU A 40 4.596 -18.078 -20.974 1.00 0.00 H new ATOM 0 HA GLU A 40 5.832 -20.687 -20.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.181 -21.237 -22.559 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.402 -20.189 -21.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.690 -18.259 -22.967 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.406 -19.345 -24.140 1.00 0.00 H new ATOM 282 N ASP A 41 6.891 -18.452 -23.072 1.00 0.00 N ATOM 283 CA ASP A 41 8.000 -18.122 -23.995 1.00 0.00 C ATOM 284 C ASP A 41 9.352 -18.517 -23.369 1.00 0.00 C ATOM 285 O ASP A 41 10.266 -18.974 -24.068 1.00 0.00 O ATOM 286 CB ASP A 41 7.972 -16.609 -24.338 1.00 0.00 C ATOM 287 CG ASP A 41 9.142 -16.157 -25.239 1.00 0.00 C ATOM 288 OD1 ASP A 41 9.039 -16.282 -26.473 1.00 0.00 O ATOM 289 OD2 ASP A 41 10.174 -15.670 -24.714 1.00 0.00 O ATOM 0 H ASP A 41 6.358 -17.638 -22.765 1.00 0.00 H new ATOM 0 HA ASP A 41 7.875 -18.688 -24.918 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.031 -16.375 -24.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.995 -16.035 -23.412 1.00 0.00 H new ATOM 294 N ALA A 42 9.456 -18.332 -22.041 1.00 0.00 N ATOM 295 CA ALA A 42 10.642 -18.732 -21.265 1.00 0.00 C ATOM 296 C ALA A 42 10.818 -20.260 -21.277 1.00 0.00 C ATOM 297 O ALA A 42 11.938 -20.770 -21.329 1.00 0.00 O ATOM 298 CB ALA A 42 10.541 -18.196 -19.836 1.00 0.00 C ATOM 0 H ALA A 42 8.722 -17.902 -21.477 1.00 0.00 H new ATOM 0 HA ALA A 42 11.526 -18.298 -21.732 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.423 -18.498 -19.271 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.479 -17.108 -19.859 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.648 -18.600 -19.358 1.00 0.00 H new ATOM 304 N ILE A 43 9.696 -20.975 -21.265 1.00 0.00 N ATOM 305 CA ILE A 43 9.681 -22.446 -21.279 1.00 0.00 C ATOM 306 C ILE A 43 10.008 -22.978 -22.704 1.00 0.00 C ATOM 307 O ILE A 43 10.598 -24.063 -22.869 1.00 0.00 O ATOM 308 CB ILE A 43 8.286 -22.978 -20.780 1.00 0.00 C ATOM 309 CG1 ILE A 43 7.873 -22.309 -19.422 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.281 -24.513 -20.646 1.00 0.00 C ATOM 311 CD1 ILE A 43 8.844 -22.524 -18.265 1.00 0.00 C ATOM 0 H ILE A 43 8.767 -20.555 -21.245 1.00 0.00 H new ATOM 0 HA ILE A 43 10.449 -22.815 -20.599 1.00 0.00 H new ATOM 0 HB ILE A 43 7.550 -22.702 -21.535 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.759 -21.237 -19.584 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.895 -22.693 -19.130 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.302 -24.845 -20.299 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.495 -24.964 -21.615 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.043 -24.818 -19.928 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.466 -22.022 -17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.942 -23.591 -18.066 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.819 -22.113 -18.527 1.00 0.00 H new ATOM 323 N ALA A 44 9.643 -22.178 -23.721 1.00 0.00 N ATOM 324 CA ALA A 44 9.917 -22.475 -25.138 1.00 0.00 C ATOM 325 C ALA A 44 11.416 -22.293 -25.470 1.00 0.00 C ATOM 326 O ALA A 44 11.980 -23.065 -26.249 1.00 0.00 O ATOM 327 CB ALA A 44 9.045 -21.590 -26.039 1.00 0.00 C ATOM 0 H ALA A 44 9.145 -21.299 -23.581 1.00 0.00 H new ATOM 0 HA ALA A 44 9.666 -23.519 -25.324 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.255 -21.817 -27.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.993 -21.783 -25.830 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.267 -20.541 -25.844 1.00 0.00 H new ATOM 333 N ARG A 45 12.063 -21.271 -24.865 1.00 0.00 N ATOM 334 CA ARG A 45 13.511 -21.014 -25.058 1.00 0.00 C ATOM 335 C ARG A 45 14.356 -21.896 -24.108 1.00 0.00 C ATOM 336 O ARG A 45 15.582 -21.963 -24.242 1.00 0.00 O ATOM 337 CB ARG A 45 13.830 -19.504 -24.835 1.00 0.00 C ATOM 338 CG ARG A 45 13.721 -19.038 -23.366 1.00 0.00 C ATOM 339 CD ARG A 45 13.888 -17.523 -23.177 1.00 0.00 C ATOM 340 NE ARG A 45 13.799 -17.146 -21.748 1.00 0.00 N ATOM 341 CZ ARG A 45 13.440 -15.946 -21.276 1.00 0.00 C ATOM 342 NH1 ARG A 45 13.122 -14.955 -22.096 1.00 0.00 N ATOM 343 NH2 ARG A 45 13.395 -15.751 -19.972 1.00 0.00 N ATOM 0 H ARG A 45 11.606 -20.609 -24.238 1.00 0.00 H new ATOM 0 HA ARG A 45 13.772 -21.274 -26.084 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.839 -19.302 -25.193 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.150 -18.908 -25.444 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.750 -19.338 -22.972 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.478 -19.553 -22.775 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.851 -17.208 -23.579 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.119 -16.997 -23.743 1.00 0.00 H new ATOM 0 HE ARG A 45 14.032 -17.864 -21.062 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.148 -15.100 -23.105 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.851 -14.047 -21.718 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.632 -16.511 -19.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.123 -14.840 -19.602 1.00 0.00 H new ATOM 357 N ALA A 46 13.691 -22.560 -23.136 1.00 0.00 N ATOM 358 CA ALA A 46 14.356 -23.453 -22.172 1.00 0.00 C ATOM 359 C ALA A 46 14.531 -24.861 -22.771 1.00 0.00 C ATOM 360 O ALA A 46 15.658 -25.291 -23.040 1.00 0.00 O ATOM 361 CB ALA A 46 13.564 -23.509 -20.858 1.00 0.00 C ATOM 0 H ALA A 46 12.682 -22.490 -23.001 1.00 0.00 H new ATOM 0 HA ALA A 46 15.347 -23.053 -21.954 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.069 -24.173 -20.157 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.500 -22.509 -20.429 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.560 -23.885 -21.054 1.00 0.00 H new ATOM 367 N ARG A 47 13.399 -25.566 -23.006 1.00 0.00 N ATOM 368 CA ARG A 47 13.402 -26.970 -23.494 1.00 0.00 C ATOM 369 C ARG A 47 12.496 -27.161 -24.724 1.00 0.00 C ATOM 370 O ARG A 47 12.358 -28.285 -25.216 1.00 0.00 O ATOM 371 CB ARG A 47 12.987 -27.941 -22.350 1.00 0.00 C ATOM 372 CG ARG A 47 11.587 -27.671 -21.744 1.00 0.00 C ATOM 373 CD ARG A 47 11.149 -28.764 -20.745 1.00 0.00 C ATOM 374 NE ARG A 47 11.008 -30.082 -21.395 1.00 0.00 N ATOM 375 CZ ARG A 47 10.659 -31.226 -20.784 1.00 0.00 C ATOM 376 NH1 ARG A 47 10.406 -31.255 -19.484 1.00 0.00 N ATOM 377 NH2 ARG A 47 10.574 -32.344 -21.489 1.00 0.00 N ATOM 0 H ARG A 47 12.464 -25.183 -22.865 1.00 0.00 H new ATOM 0 HA ARG A 47 14.419 -27.204 -23.808 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.011 -28.962 -22.732 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.730 -27.881 -21.554 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.594 -26.705 -21.239 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.854 -27.605 -22.548 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.880 -28.833 -19.940 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.200 -28.480 -20.290 1.00 0.00 H new ATOM 0 HE ARG A 47 11.192 -30.128 -22.397 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.475 -30.400 -18.932 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.142 -32.132 -19.035 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.773 -32.333 -22.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.310 -33.216 -21.032 1.00 0.00 H new ATOM 391 N GLY A 48 11.892 -26.060 -25.223 1.00 0.00 N ATOM 392 CA GLY A 48 11.004 -26.115 -26.402 1.00 0.00 C ATOM 393 C GLY A 48 9.679 -26.802 -26.123 1.00 0.00 C ATOM 394 O GLY A 48 9.026 -27.301 -27.043 1.00 0.00 O ATOM 0 H GLY A 48 12.004 -25.126 -24.828 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.813 -25.101 -26.752 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.515 -26.640 -27.209 1.00 0.00 H new ATOM 398 N GLU A 49 9.291 -26.821 -24.836 1.00 0.00 N ATOM 399 CA GLU A 49 8.051 -27.467 -24.357 1.00 0.00 C ATOM 400 C GLU A 49 6.812 -26.793 -24.971 1.00 0.00 C ATOM 401 O GLU A 49 5.842 -27.449 -25.354 1.00 0.00 O ATOM 402 CB GLU A 49 8.000 -27.375 -22.816 1.00 0.00 C ATOM 403 CG GLU A 49 6.790 -28.052 -22.150 1.00 0.00 C ATOM 404 CD GLU A 49 6.740 -29.573 -22.378 1.00 0.00 C ATOM 405 OE1 GLU A 49 7.531 -30.306 -21.739 1.00 0.00 O ATOM 406 OE2 GLU A 49 5.925 -30.046 -23.202 1.00 0.00 O ATOM 0 H GLU A 49 9.833 -26.385 -24.090 1.00 0.00 H new ATOM 0 HA GLU A 49 8.050 -28.513 -24.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.910 -27.820 -22.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.007 -26.323 -22.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.816 -27.853 -21.079 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.874 -27.604 -22.536 1.00 0.00 H new ATOM 413 N ILE A 50 6.866 -25.468 -25.020 1.00 0.00 N ATOM 414 CA ILE A 50 5.870 -24.636 -25.682 1.00 0.00 C ATOM 415 C ILE A 50 6.244 -24.499 -27.178 1.00 0.00 C ATOM 416 O ILE A 50 7.434 -24.334 -27.492 1.00 0.00 O ATOM 417 CB ILE A 50 5.810 -23.240 -24.960 1.00 0.00 C ATOM 418 CG1 ILE A 50 5.340 -23.427 -23.479 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.936 -22.206 -25.714 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.918 -23.961 -23.309 1.00 0.00 C ATOM 0 H ILE A 50 7.620 -24.931 -24.591 1.00 0.00 H new ATOM 0 HA ILE A 50 4.880 -25.088 -25.623 1.00 0.00 H new ATOM 0 HB ILE A 50 6.818 -22.825 -24.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.029 -24.108 -22.980 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.414 -22.467 -22.967 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.934 -21.263 -25.167 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.343 -22.045 -26.712 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.916 -22.581 -25.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.689 -24.055 -22.247 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.213 -23.272 -23.773 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.837 -24.938 -23.785 1.00 0.00 H new ATOM 492 N SER A 55 -1.483 -23.170 -33.126 1.00 0.00 N ATOM 493 CA SER A 55 -2.811 -23.531 -32.610 1.00 0.00 C ATOM 494 C SER A 55 -2.802 -24.914 -31.939 1.00 0.00 C ATOM 495 O SER A 55 -1.964 -25.768 -32.248 1.00 0.00 O ATOM 496 CB SER A 55 -3.844 -23.505 -33.761 1.00 0.00 C ATOM 497 OG SER A 55 -5.113 -23.990 -33.343 1.00 0.00 O ATOM 0 HA SER A 55 -3.089 -22.798 -31.852 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.949 -22.486 -34.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.479 -24.110 -34.591 1.00 0.00 H new ATOM 0 HG SER A 55 -5.286 -23.702 -32.423 1.00 0.00 H new ATOM 503 N LEU A 56 -3.771 -25.110 -31.039 1.00 0.00 N ATOM 504 CA LEU A 56 -4.003 -26.378 -30.313 1.00 0.00 C ATOM 505 C LEU A 56 -5.311 -27.041 -30.826 1.00 0.00 C ATOM 506 O LEU A 56 -6.014 -26.464 -31.663 1.00 0.00 O ATOM 507 CB LEU A 56 -4.026 -26.086 -28.765 1.00 0.00 C ATOM 508 CG LEU A 56 -4.677 -24.725 -28.304 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.186 -24.675 -28.568 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.381 -24.407 -26.823 1.00 0.00 C ATOM 0 H LEU A 56 -4.435 -24.379 -30.784 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.197 -27.087 -30.499 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.559 -26.900 -28.274 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.999 -26.112 -28.400 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.208 -23.954 -28.915 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.583 -23.717 -28.232 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.373 -24.790 -29.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.677 -25.482 -28.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.850 -23.461 -26.553 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.780 -25.202 -26.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.304 -24.333 -26.675 1.00 0.00 H new ATOM 522 N ASP A 57 -5.625 -28.248 -30.318 1.00 0.00 N ATOM 523 CA ASP A 57 -6.857 -29.008 -30.690 1.00 0.00 C ATOM 524 C ASP A 57 -7.810 -29.149 -29.477 1.00 0.00 C ATOM 525 O ASP A 57 -8.873 -29.776 -29.573 1.00 0.00 O ATOM 526 CB ASP A 57 -6.487 -30.407 -31.264 1.00 0.00 C ATOM 527 CG ASP A 57 -5.883 -31.363 -30.215 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.687 -31.206 -29.877 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.594 -32.271 -29.730 1.00 0.00 O ATOM 0 H ASP A 57 -5.039 -28.732 -29.638 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.379 -28.446 -31.465 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.381 -30.864 -31.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.776 -30.279 -32.080 1.00 0.00 H new ATOM 534 N GLU A 58 -7.452 -28.487 -28.364 1.00 0.00 N ATOM 535 CA GLU A 58 -8.166 -28.566 -27.075 1.00 0.00 C ATOM 536 C GLU A 58 -8.272 -27.152 -26.487 1.00 0.00 C ATOM 537 O GLU A 58 -7.250 -26.538 -26.184 1.00 0.00 O ATOM 538 CB GLU A 58 -7.407 -29.483 -26.070 1.00 0.00 C ATOM 539 CG GLU A 58 -7.379 -30.978 -26.438 1.00 0.00 C ATOM 540 CD GLU A 58 -6.329 -31.753 -25.637 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.157 -31.785 -26.071 1.00 0.00 O ATOM 542 OE2 GLU A 58 -6.643 -32.279 -24.550 1.00 0.00 O ATOM 0 H GLU A 58 -6.641 -27.869 -28.333 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.156 -28.990 -27.245 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.380 -29.128 -25.983 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.866 -29.376 -25.087 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.363 -31.412 -26.260 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.172 -31.084 -27.503 1.00 0.00 H new ATOM 549 N CYS A 59 -9.506 -26.634 -26.402 1.00 0.00 N ATOM 550 CA CYS A 59 -9.829 -25.363 -25.709 1.00 0.00 C ATOM 551 C CYS A 59 -9.214 -25.343 -24.304 1.00 0.00 C ATOM 552 O CYS A 59 -9.538 -26.200 -23.502 1.00 0.00 O ATOM 553 CB CYS A 59 -11.362 -25.234 -25.625 1.00 0.00 C ATOM 554 SG CYS A 59 -11.984 -23.742 -24.799 1.00 0.00 S ATOM 0 H CYS A 59 -10.322 -27.086 -26.815 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.413 -24.523 -26.265 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.766 -25.262 -26.637 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.753 -26.106 -25.101 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.129 -23.406 -25.315 1.00 0.00 H new ATOM 559 N GLU A 60 -8.337 -24.371 -24.004 1.00 0.00 N ATOM 560 CA GLU A 60 -7.604 -24.359 -22.715 1.00 0.00 C ATOM 561 C GLU A 60 -8.516 -23.968 -21.534 1.00 0.00 C ATOM 562 O GLU A 60 -8.093 -24.013 -20.380 1.00 0.00 O ATOM 563 CB GLU A 60 -6.369 -23.429 -22.788 1.00 0.00 C ATOM 564 CG GLU A 60 -6.681 -21.946 -23.091 1.00 0.00 C ATOM 565 CD GLU A 60 -5.435 -21.048 -23.004 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.500 -21.248 -23.803 1.00 0.00 O ATOM 567 OE2 GLU A 60 -5.379 -20.136 -22.151 1.00 0.00 O ATOM 0 H GLU A 60 -8.116 -23.591 -24.623 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.258 -25.377 -22.534 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.835 -23.485 -21.839 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.694 -23.806 -23.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.113 -21.866 -24.089 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.433 -21.586 -22.389 1.00 0.00 H new ATOM 574 N GLU A 61 -9.775 -23.593 -21.839 1.00 0.00 N ATOM 575 CA GLU A 61 -10.775 -23.224 -20.838 1.00 0.00 C ATOM 576 C GLU A 61 -11.654 -24.442 -20.512 1.00 0.00 C ATOM 577 O GLU A 61 -11.517 -25.045 -19.450 1.00 0.00 O ATOM 578 CB GLU A 61 -11.641 -22.052 -21.370 1.00 0.00 C ATOM 579 CG GLU A 61 -10.849 -20.848 -21.893 1.00 0.00 C ATOM 580 CD GLU A 61 -9.950 -20.186 -20.836 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.469 -19.403 -20.012 1.00 0.00 O ATOM 582 OE2 GLU A 61 -8.722 -20.421 -20.829 1.00 0.00 O ATOM 0 H GLU A 61 -10.121 -23.540 -22.797 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.275 -22.900 -19.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.278 -22.425 -22.172 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.300 -21.715 -20.570 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.231 -21.169 -22.732 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.548 -20.105 -22.278 1.00 0.00 H new ATOM 589 N CYS A 62 -12.533 -24.827 -21.466 1.00 0.00 N ATOM 590 CA CYS A 62 -13.545 -25.883 -21.232 1.00 0.00 C ATOM 591 C CYS A 62 -13.179 -27.216 -21.931 1.00 0.00 C ATOM 592 O CYS A 62 -14.023 -28.107 -22.031 1.00 0.00 O ATOM 593 CB CYS A 62 -14.953 -25.373 -21.665 1.00 0.00 C ATOM 594 SG CYS A 62 -15.270 -25.281 -23.466 1.00 0.00 S ATOM 0 H CYS A 62 -12.562 -24.423 -22.402 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.565 -26.099 -20.164 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.704 -26.025 -21.219 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.101 -24.380 -21.241 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.234 -24.772 -24.064 1.00 0.00 H new ATOM 599 N GLY A 63 -11.899 -27.335 -22.392 1.00 0.00 N ATOM 600 CA GLY A 63 -11.350 -28.557 -23.049 1.00 0.00 C ATOM 601 C GLY A 63 -12.192 -29.119 -24.185 1.00 0.00 C ATOM 602 O GLY A 63 -12.166 -30.320 -24.451 1.00 0.00 O ATOM 0 H GLY A 63 -11.217 -26.580 -22.317 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.357 -28.327 -23.434 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.227 -29.332 -22.292 1.00 0.00 H new ATOM 606 N ALA A 64 -12.945 -28.236 -24.846 1.00 0.00 N ATOM 607 CA ALA A 64 -13.804 -28.600 -25.977 1.00 0.00 C ATOM 608 C ALA A 64 -12.965 -28.660 -27.268 1.00 0.00 C ATOM 609 O ALA A 64 -12.056 -27.824 -27.426 1.00 0.00 O ATOM 610 CB ALA A 64 -14.939 -27.579 -26.109 1.00 0.00 C ATOM 0 H ALA A 64 -12.976 -27.244 -24.611 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.242 -29.583 -25.806 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.577 -27.851 -26.950 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.530 -27.571 -25.193 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.519 -26.588 -26.278 1.00 0.00 H new ATOM 616 N PRO A 65 -13.240 -29.639 -28.195 1.00 0.00 N ATOM 617 CA PRO A 65 -12.528 -29.757 -29.491 1.00 0.00 C ATOM 618 C PRO A 65 -12.462 -28.426 -30.279 1.00 0.00 C ATOM 619 O PRO A 65 -13.491 -27.797 -30.552 1.00 0.00 O ATOM 620 CB PRO A 65 -13.359 -30.813 -30.259 1.00 0.00 C ATOM 621 CG PRO A 65 -13.935 -31.671 -29.180 1.00 0.00 C ATOM 622 CD PRO A 65 -14.258 -30.723 -28.045 1.00 0.00 C ATOM 0 HA PRO A 65 -11.483 -30.033 -29.350 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.141 -30.347 -30.859 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.737 -31.393 -30.941 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.829 -32.190 -29.525 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.225 -32.435 -28.864 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.273 -30.334 -28.124 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.180 -31.216 -27.076 1.00 0.00 H new ATOM 630 N ILE A 66 -11.230 -27.983 -30.557 1.00 0.00 N ATOM 631 CA ILE A 66 -10.958 -26.809 -31.395 1.00 0.00 C ATOM 632 C ILE A 66 -11.199 -27.176 -32.874 1.00 0.00 C ATOM 633 O ILE A 66 -10.538 -28.093 -33.385 1.00 0.00 O ATOM 634 CB ILE A 66 -9.474 -26.318 -31.188 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.235 -25.957 -29.700 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.117 -25.120 -32.115 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.822 -24.650 -29.266 1.00 0.00 C ATOM 0 H ILE A 66 -10.386 -28.434 -30.203 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.628 -25.998 -31.109 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.812 -27.139 -31.465 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.650 -26.750 -29.078 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.161 -25.936 -29.514 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.085 -24.817 -31.937 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.232 -25.419 -33.157 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.783 -24.284 -31.902 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.603 -24.485 -28.211 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.389 -23.843 -29.857 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.902 -24.669 -29.414 1.00 0.00 H new ATOM 649 N PRO A 67 -12.151 -26.488 -33.577 1.00 0.00 N ATOM 650 CA PRO A 67 -12.415 -26.744 -35.004 1.00 0.00 C ATOM 651 C PRO A 67 -11.268 -26.200 -35.884 1.00 0.00 C ATOM 652 O PRO A 67 -10.630 -25.187 -35.539 1.00 0.00 O ATOM 653 CB PRO A 67 -13.754 -26.006 -35.257 1.00 0.00 C ATOM 654 CG PRO A 67 -13.758 -24.886 -34.264 1.00 0.00 C ATOM 655 CD PRO A 67 -13.034 -25.413 -33.043 1.00 0.00 C ATOM 0 HA PRO A 67 -12.476 -27.803 -35.253 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.814 -25.631 -36.279 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.607 -26.669 -35.111 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.257 -24.006 -34.666 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.776 -24.587 -34.016 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.456 -24.629 -32.554 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.733 -25.803 -32.303 1.00 0.00 H new ATOM 663 N GLN A 68 -11.032 -26.881 -37.017 1.00 0.00 N ATOM 664 CA GLN A 68 -9.931 -26.572 -37.944 1.00 0.00 C ATOM 665 C GLN A 68 -10.077 -25.148 -38.531 1.00 0.00 C ATOM 666 O GLN A 68 -9.088 -24.533 -38.928 1.00 0.00 O ATOM 667 CB GLN A 68 -9.863 -27.654 -39.068 1.00 0.00 C ATOM 668 CG GLN A 68 -11.057 -27.657 -40.083 1.00 0.00 C ATOM 669 CD GLN A 68 -10.738 -27.073 -41.475 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.752 -26.181 -41.572 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.367 -27.441 -42.470 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.605 -27.669 -37.318 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.991 -26.593 -37.392 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.937 -27.514 -39.626 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.807 -28.636 -38.598 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.404 -28.683 -40.208 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.882 -27.092 -39.650 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.118 -28.125 -42.375 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.136 -27.062 -43.388 1.00 0.00 H new ATOM 680 N ALA A 69 -11.329 -24.646 -38.550 1.00 0.00 N ATOM 681 CA ALA A 69 -11.672 -23.306 -39.051 1.00 0.00 C ATOM 682 C ALA A 69 -11.034 -22.213 -38.164 1.00 0.00 C ATOM 683 O ALA A 69 -10.552 -21.192 -38.668 1.00 0.00 O ATOM 684 CB ALA A 69 -13.204 -23.158 -39.109 1.00 0.00 C ATOM 0 H ALA A 69 -12.137 -25.169 -38.213 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.272 -23.183 -40.057 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.460 -22.166 -39.480 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.617 -23.913 -39.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.620 -23.290 -38.110 1.00 0.00 H new ATOM 690 N ARG A 70 -11.028 -22.445 -36.834 1.00 0.00 N ATOM 691 CA ARG A 70 -10.372 -21.535 -35.865 1.00 0.00 C ATOM 692 C ARG A 70 -8.843 -21.650 -35.940 1.00 0.00 C ATOM 693 O ARG A 70 -8.133 -20.654 -35.780 1.00 0.00 O ATOM 694 CB ARG A 70 -10.859 -21.821 -34.419 1.00 0.00 C ATOM 695 CG ARG A 70 -12.349 -21.483 -34.146 1.00 0.00 C ATOM 696 CD ARG A 70 -12.676 -19.966 -34.175 1.00 0.00 C ATOM 697 NE ARG A 70 -12.592 -19.376 -35.529 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.402 -18.078 -35.804 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.304 -17.179 -34.847 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.312 -17.683 -37.054 1.00 0.00 N ATOM 0 H ARG A 70 -11.471 -23.257 -36.404 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.652 -20.516 -36.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.696 -22.876 -34.200 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.241 -21.252 -33.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.966 -21.990 -34.888 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.628 -21.884 -33.172 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.680 -19.810 -33.780 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.988 -19.440 -33.514 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.687 -20.011 -36.321 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.373 -17.464 -33.870 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.159 -16.197 -35.082 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.387 -18.363 -37.810 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.167 -16.696 -37.268 1.00 0.00 H new ATOM 714 N ARG A 71 -8.362 -22.885 -36.178 1.00 0.00 N ATOM 715 CA ARG A 71 -6.923 -23.206 -36.245 1.00 0.00 C ATOM 716 C ARG A 71 -6.239 -22.495 -37.425 1.00 0.00 C ATOM 717 O ARG A 71 -5.125 -21.975 -37.280 1.00 0.00 O ATOM 718 CB ARG A 71 -6.718 -24.747 -36.352 1.00 0.00 C ATOM 719 CG ARG A 71 -7.300 -25.534 -35.158 1.00 0.00 C ATOM 720 CD ARG A 71 -7.074 -27.054 -35.247 1.00 0.00 C ATOM 721 NE ARG A 71 -5.646 -27.420 -35.262 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.169 -28.656 -35.078 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.975 -29.671 -34.810 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.874 -28.880 -35.173 1.00 0.00 N ATOM 0 H ARG A 71 -8.965 -23.694 -36.330 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.460 -22.847 -35.326 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.182 -25.103 -37.272 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.652 -24.958 -36.430 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.851 -25.163 -34.237 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.370 -25.338 -35.093 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.560 -27.539 -34.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.551 -27.435 -36.150 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.970 -26.674 -35.425 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.981 -29.519 -34.740 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.590 -30.606 -34.673 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.238 -28.112 -35.386 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.508 -29.822 -35.033 1.00 0.00 H new ATOM 738 N GLU A 72 -6.929 -22.453 -38.581 1.00 0.00 N ATOM 739 CA GLU A 72 -6.369 -21.883 -39.823 1.00 0.00 C ATOM 740 C GLU A 72 -6.502 -20.354 -39.820 1.00 0.00 C ATOM 741 O GLU A 72 -5.628 -19.648 -40.345 1.00 0.00 O ATOM 742 CB GLU A 72 -7.055 -22.484 -41.082 1.00 0.00 C ATOM 743 CG GLU A 72 -8.548 -22.129 -41.251 1.00 0.00 C ATOM 744 CD GLU A 72 -9.110 -22.510 -42.629 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.946 -21.722 -43.589 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.698 -23.598 -42.774 1.00 0.00 O ATOM 0 H GLU A 72 -7.880 -22.809 -38.681 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.311 -22.144 -39.862 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.515 -22.145 -41.966 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.958 -23.569 -41.046 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.125 -22.636 -40.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.680 -21.058 -41.096 1.00 0.00 H new ATOM 753 N ALA A 73 -7.598 -19.856 -39.218 1.00 0.00 N ATOM 754 CA ALA A 73 -7.888 -18.416 -39.138 1.00 0.00 C ATOM 755 C ALA A 73 -6.916 -17.719 -38.181 1.00 0.00 C ATOM 756 O ALA A 73 -6.370 -16.653 -38.486 1.00 0.00 O ATOM 757 CB ALA A 73 -9.338 -18.190 -38.683 1.00 0.00 C ATOM 0 H ALA A 73 -8.306 -20.442 -38.774 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.760 -17.984 -40.131 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.540 -17.120 -38.628 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.020 -18.651 -39.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.485 -18.638 -37.700 1.00 0.00 H new ATOM 763 N ILE A 74 -6.702 -18.354 -37.014 1.00 0.00 N ATOM 764 CA ILE A 74 -5.938 -17.774 -35.901 1.00 0.00 C ATOM 765 C ILE A 74 -4.740 -18.688 -35.556 1.00 0.00 C ATOM 766 O ILE A 74 -4.940 -19.782 -35.002 1.00 0.00 O ATOM 767 CB ILE A 74 -6.854 -17.591 -34.631 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.166 -16.836 -35.013 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.095 -16.871 -33.479 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.146 -16.651 -33.876 1.00 0.00 C ATOM 0 H ILE A 74 -7.058 -19.290 -36.818 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.571 -16.794 -36.206 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.126 -18.580 -34.262 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.902 -15.856 -35.409 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.662 -17.382 -35.816 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.757 -16.762 -32.620 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.224 -17.460 -33.193 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.772 -15.886 -33.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.025 -16.117 -34.237 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.446 -17.626 -33.492 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.674 -16.076 -33.079 1.00 0.00 H new ATOM 782 N PRO A 75 -3.479 -18.270 -35.900 1.00 0.00 N ATOM 783 CA PRO A 75 -2.263 -19.009 -35.513 1.00 0.00 C ATOM 784 C PRO A 75 -1.977 -18.830 -34.006 1.00 0.00 C ATOM 785 O PRO A 75 -1.408 -17.821 -33.567 1.00 0.00 O ATOM 786 CB PRO A 75 -1.162 -18.394 -36.413 1.00 0.00 C ATOM 787 CG PRO A 75 -1.631 -16.991 -36.672 1.00 0.00 C ATOM 788 CD PRO A 75 -3.150 -17.050 -36.696 1.00 0.00 C ATOM 0 HA PRO A 75 -2.339 -20.087 -35.654 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.192 -18.403 -35.916 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.050 -18.953 -37.342 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.280 -16.313 -35.894 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.241 -16.619 -37.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.591 -16.156 -36.256 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.530 -17.124 -37.715 1.00 0.00 H new ATOM 796 N GLY A 76 -2.447 -19.805 -33.221 1.00 0.00 N ATOM 797 CA GLY A 76 -2.359 -19.756 -31.762 1.00 0.00 C ATOM 798 C GLY A 76 -3.694 -19.462 -31.112 1.00 0.00 C ATOM 799 O GLY A 76 -3.744 -18.782 -30.077 1.00 0.00 O ATOM 0 H GLY A 76 -2.897 -20.647 -33.580 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.980 -20.708 -31.392 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.640 -18.991 -31.470 1.00 0.00 H new ATOM 803 N VAL A 77 -4.789 -19.963 -31.728 1.00 0.00 N ATOM 804 CA VAL A 77 -6.114 -19.938 -31.098 1.00 0.00 C ATOM 805 C VAL A 77 -6.093 -20.843 -29.856 1.00 0.00 C ATOM 806 O VAL A 77 -5.551 -21.947 -29.895 1.00 0.00 O ATOM 807 CB VAL A 77 -7.280 -20.358 -32.079 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.072 -21.765 -32.668 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.657 -20.261 -31.386 1.00 0.00 C ATOM 0 H VAL A 77 -4.774 -20.386 -32.656 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.326 -18.908 -30.812 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.257 -19.651 -32.908 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.900 -22.006 -33.335 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.136 -21.791 -33.227 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.032 -22.496 -31.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.438 -20.556 -32.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.676 -20.923 -30.521 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.829 -19.235 -31.061 1.00 0.00 H new ATOM 819 N ARG A 78 -6.633 -20.325 -28.754 1.00 0.00 N ATOM 820 CA ARG A 78 -6.616 -20.988 -27.439 1.00 0.00 C ATOM 821 C ARG A 78 -8.001 -21.579 -27.132 1.00 0.00 C ATOM 822 O ARG A 78 -8.153 -22.491 -26.318 1.00 0.00 O ATOM 823 CB ARG A 78 -6.247 -19.961 -26.313 1.00 0.00 C ATOM 824 CG ARG A 78 -5.122 -18.931 -26.633 1.00 0.00 C ATOM 825 CD ARG A 78 -5.647 -17.689 -27.387 1.00 0.00 C ATOM 826 NE ARG A 78 -4.615 -16.650 -27.565 1.00 0.00 N ATOM 827 CZ ARG A 78 -4.854 -15.333 -27.674 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.092 -14.866 -27.670 1.00 0.00 N ATOM 829 NH2 ARG A 78 -3.845 -14.484 -27.784 1.00 0.00 N ATOM 0 H ARG A 78 -7.103 -19.420 -28.743 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.870 -21.782 -27.467 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.149 -19.407 -26.052 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.950 -20.522 -25.427 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.650 -18.614 -25.703 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.351 -19.416 -27.232 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.021 -17.994 -28.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.490 -17.267 -26.840 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.643 -16.956 -27.609 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.879 -15.509 -27.583 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.259 -13.863 -27.754 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.885 -14.830 -27.786 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.027 -13.484 -27.867 1.00 0.00 H new ATOM 843 N LEU A 79 -9.003 -21.034 -27.820 1.00 0.00 N ATOM 844 CA LEU A 79 -10.405 -21.079 -27.408 1.00 0.00 C ATOM 845 C LEU A 79 -11.252 -21.760 -28.482 1.00 0.00 C ATOM 846 O LEU A 79 -11.086 -21.468 -29.670 1.00 0.00 O ATOM 847 CB LEU A 79 -10.874 -19.617 -27.218 1.00 0.00 C ATOM 848 CG LEU A 79 -10.012 -18.769 -26.231 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.266 -17.262 -26.392 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.248 -19.215 -24.786 1.00 0.00 C ATOM 0 H LEU A 79 -8.859 -20.538 -28.699 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.514 -21.647 -26.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.877 -19.123 -28.190 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.904 -19.625 -26.862 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.965 -18.944 -26.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.645 -16.711 -25.686 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.017 -16.958 -27.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.317 -17.047 -26.196 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.638 -18.611 -24.115 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.301 -19.087 -24.533 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.974 -20.265 -24.680 1.00 0.00 H new ATOM 862 N CYS A 80 -12.151 -22.676 -28.059 1.00 0.00 N ATOM 863 CA CYS A 80 -13.135 -23.310 -28.972 1.00 0.00 C ATOM 864 C CYS A 80 -14.059 -22.218 -29.491 1.00 0.00 C ATOM 865 O CYS A 80 -14.194 -21.200 -28.805 1.00 0.00 O ATOM 866 CB CYS A 80 -13.925 -24.414 -28.245 1.00 0.00 C ATOM 867 SG CYS A 80 -15.091 -23.795 -27.006 1.00 0.00 S ATOM 0 H CYS A 80 -12.218 -22.994 -27.092 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.623 -23.789 -29.807 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.473 -25.000 -28.983 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.221 -25.090 -27.760 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.948 -24.466 -25.902 1.00 0.00 H new ATOM 872 N ILE A 81 -14.728 -22.443 -30.649 1.00 0.00 N ATOM 873 CA ILE A 81 -15.418 -21.361 -31.414 1.00 0.00 C ATOM 874 C ILE A 81 -16.372 -20.533 -30.523 1.00 0.00 C ATOM 875 O ILE A 81 -16.548 -19.353 -30.755 1.00 0.00 O ATOM 876 CB ILE A 81 -16.202 -21.921 -32.672 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.903 -20.762 -33.476 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.207 -23.026 -32.266 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.762 -21.204 -34.646 1.00 0.00 C ATOM 0 H ILE A 81 -14.807 -23.365 -31.079 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.627 -20.702 -31.772 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.471 -22.379 -33.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.525 -20.190 -32.787 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.134 -20.085 -33.848 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.728 -23.388 -33.153 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.671 -23.851 -31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.931 -22.618 -31.561 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.197 -20.329 -35.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.147 -21.747 -35.364 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.560 -21.854 -34.287 1.00 0.00 H new ATOM 891 N HIS A 82 -16.894 -21.154 -29.456 1.00 0.00 N ATOM 892 CA HIS A 82 -17.828 -20.515 -28.509 1.00 0.00 C ATOM 893 C HIS A 82 -17.070 -19.554 -27.567 1.00 0.00 C ATOM 894 O HIS A 82 -17.395 -18.365 -27.509 1.00 0.00 O ATOM 895 CB HIS A 82 -18.600 -21.606 -27.725 1.00 0.00 C ATOM 896 CG HIS A 82 -19.260 -22.600 -28.643 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.549 -22.468 -29.117 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.758 -23.699 -29.242 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.794 -23.435 -29.977 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.726 -24.195 -30.061 1.00 0.00 N ATOM 0 H HIS A 82 -16.680 -22.123 -29.221 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.554 -19.917 -29.060 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.913 -22.128 -27.059 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.356 -21.135 -27.097 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.770 -24.110 -29.098 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.716 -23.579 -30.521 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.636 -25.025 -30.647 1.00 0.00 H new ATOM 909 N CYS A 83 -16.004 -20.060 -26.897 1.00 0.00 N ATOM 910 CA CYS A 83 -15.155 -19.223 -26.006 1.00 0.00 C ATOM 911 C CYS A 83 -14.357 -18.174 -26.826 1.00 0.00 C ATOM 912 O CYS A 83 -13.880 -17.183 -26.271 1.00 0.00 O ATOM 913 CB CYS A 83 -14.165 -20.085 -25.175 1.00 0.00 C ATOM 914 SG CYS A 83 -14.914 -21.388 -24.139 1.00 0.00 S ATOM 0 H CYS A 83 -15.712 -21.036 -26.955 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.829 -18.711 -25.319 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.459 -20.554 -25.860 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.590 -19.421 -24.530 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.150 -22.439 -24.867 1.00 0.00 H new ATOM 919 N GLN A 84 -14.190 -18.418 -28.146 1.00 0.00 N ATOM 920 CA GLN A 84 -13.440 -17.516 -29.040 1.00 0.00 C ATOM 921 C GLN A 84 -14.350 -16.383 -29.550 1.00 0.00 C ATOM 922 O GLN A 84 -13.971 -15.216 -29.473 1.00 0.00 O ATOM 923 CB GLN A 84 -12.810 -18.309 -30.234 1.00 0.00 C ATOM 924 CG GLN A 84 -11.489 -17.726 -30.817 1.00 0.00 C ATOM 925 CD GLN A 84 -11.564 -16.255 -31.246 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.941 -15.947 -32.367 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.190 -15.335 -30.363 1.00 0.00 N ATOM 0 H GLN A 84 -14.570 -19.240 -28.615 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.625 -17.069 -28.470 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.620 -19.331 -29.906 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.545 -18.364 -31.037 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.702 -17.831 -30.070 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.194 -18.325 -31.678 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.879 -15.617 -29.433 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.214 -14.347 -30.615 1.00 0.00 H new