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 159:sc= 0.989 USER MOD Set 1.2: A 62 CYS SG : rot -51:sc= 0.176 USER MOD Set 1.3: A 80 CYS SG : rot -129:sc= 0.292 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0574 X(o=1.6,f=1.6) USER MOD Set 1.5: A 83 CYS SG : rot 77:sc= 0.211 USER MOD Single : A 38 THR OG1 : rot 38:sc= 0.0417 USER MOD Single : A 55 SER OG : rot 167:sc= -0.0698 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.12 F(o=-0.97,f=-0.12) USER MOD Single : A 84 GLN : amide:sc= -0.931 X(o=-0.93,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 9.141 -13.573 -21.036 1.00 0.00 N ATOM 235 CA THR A 38 10.260 -12.642 -21.188 1.00 0.00 C ATOM 236 C THR A 38 11.489 -13.403 -21.720 1.00 0.00 C ATOM 237 O THR A 38 12.189 -12.936 -22.631 1.00 0.00 O ATOM 238 CB THR A 38 10.586 -11.949 -19.826 1.00 0.00 C ATOM 239 OG1 THR A 38 9.438 -11.209 -19.367 1.00 0.00 O ATOM 240 CG2 THR A 38 11.801 -11.008 -19.932 1.00 0.00 C ATOM 0 HA THR A 38 9.986 -11.865 -21.901 1.00 0.00 H new ATOM 0 HB THR A 38 10.835 -12.733 -19.110 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.621 -11.706 -19.582 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.991 -10.548 -18.962 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.677 -11.578 -20.241 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.596 -10.231 -20.668 1.00 0.00 H new ATOM 248 N ILE A 39 11.711 -14.598 -21.127 1.00 0.00 N ATOM 249 CA ILE A 39 12.898 -15.438 -21.380 1.00 0.00 C ATOM 250 C ILE A 39 12.905 -15.895 -22.844 1.00 0.00 C ATOM 251 O ILE A 39 13.867 -15.677 -23.588 1.00 0.00 O ATOM 252 CB ILE A 39 12.916 -16.709 -20.431 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.699 -16.307 -18.927 1.00 0.00 C ATOM 254 CG2 ILE A 39 14.224 -17.537 -20.611 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.714 -15.319 -18.375 1.00 0.00 C ATOM 0 H ILE A 39 11.064 -15.008 -20.454 1.00 0.00 H new ATOM 0 HA ILE A 39 13.786 -14.841 -21.172 1.00 0.00 H new ATOM 0 HB ILE A 39 12.081 -17.345 -20.725 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.702 -15.879 -18.821 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.724 -17.210 -18.317 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.203 -18.400 -19.946 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.300 -17.877 -21.644 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.085 -16.914 -20.369 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.482 -15.103 -17.332 1.00 0.00 H new ATOM 0 HD12 ILE A 39 14.714 -15.748 -18.443 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.675 -14.396 -18.954 1.00 0.00 H new ATOM 267 N GLU A 40 11.774 -16.477 -23.243 1.00 0.00 N ATOM 268 CA GLU A 40 11.575 -17.044 -24.576 1.00 0.00 C ATOM 269 C GLU A 40 11.333 -15.944 -25.621 1.00 0.00 C ATOM 270 O GLU A 40 11.567 -16.176 -26.803 1.00 0.00 O ATOM 271 CB GLU A 40 10.420 -18.077 -24.564 1.00 0.00 C ATOM 272 CG GLU A 40 9.053 -17.562 -24.030 1.00 0.00 C ATOM 273 CD GLU A 40 8.760 -17.979 -22.567 1.00 0.00 C ATOM 274 OE1 GLU A 40 9.641 -17.813 -21.698 1.00 0.00 O ATOM 275 OE2 GLU A 40 7.638 -18.454 -22.281 1.00 0.00 O ATOM 0 H GLU A 40 10.957 -16.569 -22.639 1.00 0.00 H new ATOM 0 HA GLU A 40 12.489 -17.565 -24.861 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.276 -18.444 -25.580 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.727 -18.929 -23.958 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.032 -16.474 -24.100 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.257 -17.938 -24.672 1.00 0.00 H new ATOM 282 N ASP A 41 10.878 -14.752 -25.170 1.00 0.00 N ATOM 283 CA ASP A 41 10.765 -13.546 -26.029 1.00 0.00 C ATOM 284 C ASP A 41 12.162 -13.103 -26.485 1.00 0.00 C ATOM 285 O ASP A 41 12.367 -12.800 -27.662 1.00 0.00 O ATOM 286 CB ASP A 41 10.059 -12.393 -25.261 1.00 0.00 C ATOM 287 CG ASP A 41 9.968 -11.070 -26.062 1.00 0.00 C ATOM 288 OD1 ASP A 41 9.038 -10.933 -26.890 1.00 0.00 O ATOM 289 OD2 ASP A 41 10.830 -10.163 -25.879 1.00 0.00 O ATOM 0 H ASP A 41 10.580 -14.597 -24.207 1.00 0.00 H new ATOM 0 HA ASP A 41 10.164 -13.792 -26.904 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.053 -12.713 -24.990 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.596 -12.207 -24.331 1.00 0.00 H new ATOM 294 N ALA A 42 13.109 -13.084 -25.530 1.00 0.00 N ATOM 295 CA ALA A 42 14.512 -12.692 -25.777 1.00 0.00 C ATOM 296 C ALA A 42 15.188 -13.643 -26.787 1.00 0.00 C ATOM 297 O ALA A 42 15.931 -13.205 -27.673 1.00 0.00 O ATOM 298 CB ALA A 42 15.291 -12.643 -24.454 1.00 0.00 C ATOM 0 H ALA A 42 12.924 -13.341 -24.560 1.00 0.00 H new ATOM 0 HA ALA A 42 14.517 -11.694 -26.216 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.323 -12.353 -24.650 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.830 -11.915 -23.787 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.273 -13.627 -23.985 1.00 0.00 H new ATOM 304 N ILE A 43 14.894 -14.948 -26.658 1.00 0.00 N ATOM 305 CA ILE A 43 15.447 -15.994 -27.543 1.00 0.00 C ATOM 306 C ILE A 43 14.726 -15.983 -28.926 1.00 0.00 C ATOM 307 O ILE A 43 15.333 -16.289 -29.960 1.00 0.00 O ATOM 308 CB ILE A 43 15.348 -17.420 -26.859 1.00 0.00 C ATOM 309 CG1 ILE A 43 15.921 -17.393 -25.397 1.00 0.00 C ATOM 310 CG2 ILE A 43 16.075 -18.504 -27.691 1.00 0.00 C ATOM 311 CD1 ILE A 43 17.409 -17.074 -25.284 1.00 0.00 C ATOM 0 H ILE A 43 14.267 -15.310 -25.939 1.00 0.00 H new ATOM 0 HA ILE A 43 16.502 -15.777 -27.712 1.00 0.00 H new ATOM 0 HB ILE A 43 14.289 -17.676 -26.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.364 -16.655 -24.820 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.738 -18.363 -24.935 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.985 -19.468 -27.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.624 -18.566 -28.681 1.00 0.00 H new ATOM 0 HG23 ILE A 43 17.129 -18.242 -27.788 1.00 0.00 H new ATOM 0 HD11 ILE A 43 17.704 -17.080 -24.235 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.984 -17.824 -25.827 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.603 -16.090 -25.710 1.00 0.00 H new ATOM 323 N ALA A 44 13.434 -15.585 -28.931 1.00 0.00 N ATOM 324 CA ALA A 44 12.607 -15.514 -30.159 1.00 0.00 C ATOM 325 C ALA A 44 12.991 -14.306 -31.029 1.00 0.00 C ATOM 326 O ALA A 44 12.945 -14.380 -32.259 1.00 0.00 O ATOM 327 CB ALA A 44 11.113 -15.473 -29.814 1.00 0.00 C ATOM 0 H ALA A 44 12.935 -15.304 -28.087 1.00 0.00 H new ATOM 0 HA ALA A 44 12.804 -16.418 -30.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.529 -15.421 -30.733 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.842 -16.373 -29.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.905 -14.596 -29.202 1.00 0.00 H new ATOM 333 N ARG A 45 13.379 -13.196 -30.384 1.00 0.00 N ATOM 334 CA ARG A 45 13.767 -11.959 -31.093 1.00 0.00 C ATOM 335 C ARG A 45 15.238 -12.017 -31.559 1.00 0.00 C ATOM 336 O ARG A 45 15.690 -11.135 -32.295 1.00 0.00 O ATOM 337 CB ARG A 45 13.517 -10.714 -30.198 1.00 0.00 C ATOM 338 CG ARG A 45 14.415 -10.615 -28.943 1.00 0.00 C ATOM 339 CD ARG A 45 14.105 -9.376 -28.082 1.00 0.00 C ATOM 340 NE ARG A 45 14.207 -8.133 -28.869 1.00 0.00 N ATOM 341 CZ ARG A 45 13.951 -6.899 -28.423 1.00 0.00 C ATOM 342 NH1 ARG A 45 13.642 -6.674 -27.151 1.00 0.00 N ATOM 343 NH2 ARG A 45 14.026 -5.881 -29.263 1.00 0.00 N ATOM 0 H ARG A 45 13.434 -13.126 -29.368 1.00 0.00 H new ATOM 0 HA ARG A 45 13.143 -11.873 -31.982 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.663 -9.818 -30.801 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.474 -10.718 -29.880 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.287 -11.513 -28.339 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.460 -10.585 -29.251 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.102 -9.463 -27.665 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.797 -9.333 -27.241 1.00 0.00 H new ATOM 0 HE ARG A 45 14.499 -8.223 -29.842 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.596 -7.451 -26.492 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.451 -5.724 -26.833 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.277 -6.042 -30.238 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.833 -4.934 -28.936 1.00 0.00 H new ATOM 357 N ALA A 46 15.981 -13.051 -31.116 1.00 0.00 N ATOM 358 CA ALA A 46 17.383 -13.266 -31.514 1.00 0.00 C ATOM 359 C ALA A 46 17.485 -14.280 -32.667 1.00 0.00 C ATOM 360 O ALA A 46 17.995 -13.953 -33.743 1.00 0.00 O ATOM 361 CB ALA A 46 18.204 -13.745 -30.314 1.00 0.00 C ATOM 0 H ALA A 46 15.625 -13.758 -30.473 1.00 0.00 H new ATOM 0 HA ALA A 46 17.785 -12.315 -31.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.239 -13.901 -30.620 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.168 -12.994 -29.525 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.791 -14.682 -29.941 1.00 0.00 H new ATOM 367 N ARG A 47 16.982 -15.513 -32.433 1.00 0.00 N ATOM 368 CA ARG A 47 17.151 -16.657 -33.374 1.00 0.00 C ATOM 369 C ARG A 47 15.805 -17.291 -33.783 1.00 0.00 C ATOM 370 O ARG A 47 15.783 -18.205 -34.621 1.00 0.00 O ATOM 371 CB ARG A 47 18.125 -17.710 -32.736 1.00 0.00 C ATOM 372 CG ARG A 47 17.755 -18.203 -31.299 1.00 0.00 C ATOM 373 CD ARG A 47 16.732 -19.353 -31.266 1.00 0.00 C ATOM 374 NE ARG A 47 17.310 -20.611 -31.747 1.00 0.00 N ATOM 375 CZ ARG A 47 16.729 -21.479 -32.580 1.00 0.00 C ATOM 376 NH1 ARG A 47 15.596 -21.196 -33.200 1.00 0.00 N ATOM 377 NH2 ARG A 47 17.341 -22.613 -32.843 1.00 0.00 N ATOM 0 H ARG A 47 16.450 -15.748 -31.595 1.00 0.00 H new ATOM 0 HA ARG A 47 17.588 -16.281 -34.299 1.00 0.00 H new ATOM 0 HB2 ARG A 47 18.173 -18.577 -33.395 1.00 0.00 H new ATOM 0 HB3 ARG A 47 19.125 -17.278 -32.704 1.00 0.00 H new ATOM 0 HG2 ARG A 47 18.665 -18.527 -30.794 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.357 -17.362 -30.731 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.368 -19.486 -30.247 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.871 -19.091 -31.880 1.00 0.00 H new ATOM 0 HE ARG A 47 18.245 -20.846 -31.414 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.143 -20.295 -33.048 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.175 -21.879 -33.831 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.243 -22.817 -32.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.913 -23.288 -33.476 1.00 0.00 H new ATOM 391 N GLY A 48 14.697 -16.812 -33.188 1.00 0.00 N ATOM 392 CA GLY A 48 13.357 -17.341 -33.485 1.00 0.00 C ATOM 393 C GLY A 48 13.148 -18.749 -32.946 1.00 0.00 C ATOM 394 O GLY A 48 13.158 -19.722 -33.710 1.00 0.00 O ATOM 0 H GLY A 48 14.705 -16.060 -32.499 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.606 -16.677 -33.057 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.203 -17.343 -34.564 1.00 0.00 H new ATOM 398 N GLU A 49 13.005 -18.856 -31.614 1.00 0.00 N ATOM 399 CA GLU A 49 12.859 -20.140 -30.914 1.00 0.00 C ATOM 400 C GLU A 49 11.379 -20.561 -30.853 1.00 0.00 C ATOM 401 O GLU A 49 10.919 -21.346 -31.689 1.00 0.00 O ATOM 402 CB GLU A 49 13.445 -20.041 -29.483 1.00 0.00 C ATOM 403 CG GLU A 49 13.570 -21.385 -28.743 1.00 0.00 C ATOM 404 CD GLU A 49 14.667 -22.284 -29.338 1.00 0.00 C ATOM 405 OE1 GLU A 49 15.843 -22.077 -28.989 1.00 0.00 O ATOM 406 OE2 GLU A 49 14.360 -23.159 -30.176 1.00 0.00 O ATOM 0 H GLU A 49 12.988 -18.049 -30.991 1.00 0.00 H new ATOM 0 HA GLU A 49 13.411 -20.898 -31.470 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.431 -19.581 -29.540 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.816 -19.374 -28.893 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.788 -21.198 -27.691 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.615 -21.908 -28.782 1.00 0.00 H new ATOM 413 N ILE A 50 10.634 -20.010 -29.871 1.00 0.00 N ATOM 414 CA ILE A 50 9.240 -20.378 -29.621 1.00 0.00 C ATOM 415 C ILE A 50 8.312 -19.507 -30.492 1.00 0.00 C ATOM 416 O ILE A 50 8.518 -18.289 -30.588 1.00 0.00 O ATOM 417 CB ILE A 50 8.851 -20.263 -28.084 1.00 0.00 C ATOM 418 CG1 ILE A 50 9.710 -21.270 -27.233 1.00 0.00 C ATOM 419 CG2 ILE A 50 7.321 -20.490 -27.835 1.00 0.00 C ATOM 420 CD1 ILE A 50 9.248 -21.469 -25.796 1.00 0.00 C ATOM 0 H ILE A 50 10.990 -19.298 -29.234 1.00 0.00 H new ATOM 0 HA ILE A 50 9.115 -21.426 -29.894 1.00 0.00 H new ATOM 0 HB ILE A 50 9.072 -19.244 -27.766 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.708 -22.238 -27.735 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.742 -20.920 -27.220 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.109 -20.401 -26.770 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.748 -19.742 -28.383 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.040 -21.486 -28.179 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.906 -22.181 -25.297 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.278 -20.516 -25.269 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.228 -21.854 -25.792 1.00 0.00 H new ATOM 492 N SER A 55 -1.903 -22.440 -32.789 1.00 0.00 N ATOM 493 CA SER A 55 -3.188 -23.113 -32.619 1.00 0.00 C ATOM 494 C SER A 55 -3.072 -24.509 -31.990 1.00 0.00 C ATOM 495 O SER A 55 -2.443 -25.408 -32.555 1.00 0.00 O ATOM 496 CB SER A 55 -3.862 -23.191 -33.988 1.00 0.00 C ATOM 497 OG SER A 55 -4.121 -21.879 -34.482 1.00 0.00 O ATOM 0 HA SER A 55 -3.787 -22.532 -31.917 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.223 -23.731 -34.686 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.795 -23.750 -33.912 1.00 0.00 H new ATOM 0 HG SER A 55 -4.348 -21.927 -35.434 1.00 0.00 H new ATOM 503 N LEU A 56 -3.684 -24.643 -30.807 1.00 0.00 N ATOM 504 CA LEU A 56 -3.846 -25.921 -30.081 1.00 0.00 C ATOM 505 C LEU A 56 -5.105 -26.659 -30.596 1.00 0.00 C ATOM 506 O LEU A 56 -5.846 -26.120 -31.431 1.00 0.00 O ATOM 507 CB LEU A 56 -3.895 -25.651 -28.531 1.00 0.00 C ATOM 508 CG LEU A 56 -4.725 -24.404 -28.046 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.235 -24.555 -28.300 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.456 -24.063 -26.567 1.00 0.00 C ATOM 0 H LEU A 56 -4.092 -23.850 -30.311 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.991 -26.571 -30.268 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.302 -26.538 -28.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.871 -25.535 -28.175 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.376 -23.569 -28.653 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.754 -23.665 -27.945 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.414 -24.678 -29.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.608 -25.430 -27.767 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.051 -23.196 -26.279 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.728 -24.914 -25.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.398 -23.838 -26.432 1.00 0.00 H new ATOM 522 N ASP A 57 -5.356 -27.879 -30.083 1.00 0.00 N ATOM 523 CA ASP A 57 -6.515 -28.712 -30.493 1.00 0.00 C ATOM 524 C ASP A 57 -7.551 -28.873 -29.354 1.00 0.00 C ATOM 525 O ASP A 57 -8.585 -29.515 -29.547 1.00 0.00 O ATOM 526 CB ASP A 57 -6.036 -30.099 -31.015 1.00 0.00 C ATOM 527 CG ASP A 57 -5.334 -30.960 -29.947 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.125 -30.762 -29.710 1.00 0.00 O ATOM 529 OD2 ASP A 57 -5.987 -31.824 -29.327 1.00 0.00 O ATOM 0 H ASP A 57 -4.767 -28.318 -29.375 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.019 -28.190 -31.307 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.895 -30.647 -31.402 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.353 -29.946 -31.850 1.00 0.00 H new ATOM 534 N GLU A 58 -7.308 -28.231 -28.191 1.00 0.00 N ATOM 535 CA GLU A 58 -8.207 -28.302 -27.007 1.00 0.00 C ATOM 536 C GLU A 58 -8.310 -26.916 -26.355 1.00 0.00 C ATOM 537 O GLU A 58 -7.312 -26.366 -25.894 1.00 0.00 O ATOM 538 CB GLU A 58 -7.724 -29.349 -25.960 1.00 0.00 C ATOM 539 CG GLU A 58 -7.884 -30.818 -26.396 1.00 0.00 C ATOM 540 CD GLU A 58 -7.520 -31.811 -25.284 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.332 -32.055 -25.054 1.00 0.00 O ATOM 542 OE2 GLU A 58 -8.422 -32.336 -24.614 1.00 0.00 O ATOM 0 H GLU A 58 -6.485 -27.648 -28.041 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.188 -28.624 -27.356 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.673 -29.163 -25.738 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.277 -29.197 -25.033 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.914 -30.990 -26.707 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.253 -31.005 -27.265 1.00 0.00 H new ATOM 549 N CYS A 59 -9.538 -26.364 -26.368 1.00 0.00 N ATOM 550 CA CYS A 59 -9.894 -25.062 -25.769 1.00 0.00 C ATOM 551 C CYS A 59 -9.449 -24.980 -24.311 1.00 0.00 C ATOM 552 O CYS A 59 -9.906 -25.772 -23.510 1.00 0.00 O ATOM 553 CB CYS A 59 -11.421 -24.914 -25.854 1.00 0.00 C ATOM 554 SG CYS A 59 -12.115 -23.475 -24.994 1.00 0.00 S ATOM 0 H CYS A 59 -10.334 -26.825 -26.809 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.389 -24.261 -26.310 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.705 -24.859 -26.905 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.879 -25.815 -25.446 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.286 -23.198 -25.486 1.00 0.00 H new ATOM 559 N GLU A 60 -8.603 -23.996 -23.952 1.00 0.00 N ATOM 560 CA GLU A 60 -7.987 -23.962 -22.596 1.00 0.00 C ATOM 561 C GLU A 60 -8.942 -23.343 -21.532 1.00 0.00 C ATOM 562 O GLU A 60 -8.525 -23.053 -20.407 1.00 0.00 O ATOM 563 CB GLU A 60 -6.616 -23.230 -22.631 1.00 0.00 C ATOM 564 CG GLU A 60 -6.686 -21.745 -23.029 1.00 0.00 C ATOM 565 CD GLU A 60 -5.326 -21.037 -22.923 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.512 -21.143 -23.862 1.00 0.00 O ATOM 567 OE2 GLU A 60 -5.061 -20.377 -21.891 1.00 0.00 O ATOM 0 H GLU A 60 -8.330 -23.225 -24.562 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.811 -24.994 -22.291 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.154 -23.306 -21.647 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.961 -23.749 -23.331 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.054 -21.664 -24.052 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.407 -21.235 -22.390 1.00 0.00 H new ATOM 574 N GLU A 61 -10.229 -23.171 -21.901 1.00 0.00 N ATOM 575 CA GLU A 61 -11.288 -22.717 -20.986 1.00 0.00 C ATOM 576 C GLU A 61 -12.194 -23.886 -20.581 1.00 0.00 C ATOM 577 O GLU A 61 -12.558 -24.019 -19.416 1.00 0.00 O ATOM 578 CB GLU A 61 -12.154 -21.635 -21.667 1.00 0.00 C ATOM 579 CG GLU A 61 -11.379 -20.425 -22.185 1.00 0.00 C ATOM 580 CD GLU A 61 -10.609 -19.655 -21.104 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.244 -18.934 -20.309 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.360 -19.771 -21.054 1.00 0.00 O ATOM 0 H GLU A 61 -10.561 -23.346 -22.850 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.808 -22.306 -20.098 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.689 -22.090 -22.501 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.905 -21.290 -20.956 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.675 -20.759 -22.947 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.076 -19.744 -22.672 1.00 0.00 H new ATOM 589 N CYS A 62 -12.568 -24.725 -21.571 1.00 0.00 N ATOM 590 CA CYS A 62 -13.617 -25.754 -21.374 1.00 0.00 C ATOM 591 C CYS A 62 -13.284 -27.077 -22.099 1.00 0.00 C ATOM 592 O CYS A 62 -14.171 -27.915 -22.292 1.00 0.00 O ATOM 593 CB CYS A 62 -14.991 -25.187 -21.827 1.00 0.00 C ATOM 594 SG CYS A 62 -15.285 -25.178 -23.627 1.00 0.00 S ATOM 0 H CYS A 62 -12.164 -24.712 -22.508 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.663 -25.995 -20.312 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.779 -25.770 -21.351 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.082 -24.166 -21.457 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.277 -24.620 -24.229 1.00 0.00 H new ATOM 599 N GLY A 63 -11.996 -27.248 -22.481 1.00 0.00 N ATOM 600 CA GLY A 63 -11.458 -28.475 -23.132 1.00 0.00 C ATOM 601 C GLY A 63 -12.185 -28.935 -24.390 1.00 0.00 C ATOM 602 O GLY A 63 -11.988 -30.066 -24.833 1.00 0.00 O ATOM 0 H GLY A 63 -11.287 -26.528 -22.345 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.412 -28.300 -23.384 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.480 -29.287 -22.406 1.00 0.00 H new ATOM 606 N ALA A 64 -13.003 -28.050 -24.990 1.00 0.00 N ATOM 607 CA ALA A 64 -13.827 -28.391 -26.165 1.00 0.00 C ATOM 608 C ALA A 64 -12.942 -28.533 -27.425 1.00 0.00 C ATOM 609 O ALA A 64 -12.012 -27.723 -27.598 1.00 0.00 O ATOM 610 CB ALA A 64 -14.914 -27.331 -26.376 1.00 0.00 C ATOM 0 H ALA A 64 -13.111 -27.085 -24.677 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.314 -29.350 -25.985 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.515 -27.594 -27.246 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.553 -27.285 -25.494 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.448 -26.359 -26.538 1.00 0.00 H new ATOM 616 N PRO A 65 -13.217 -29.558 -28.312 1.00 0.00 N ATOM 617 CA PRO A 65 -12.439 -29.802 -29.550 1.00 0.00 C ATOM 618 C PRO A 65 -12.320 -28.541 -30.424 1.00 0.00 C ATOM 619 O PRO A 65 -13.326 -28.039 -30.942 1.00 0.00 O ATOM 620 CB PRO A 65 -13.240 -30.914 -30.279 1.00 0.00 C ATOM 621 CG PRO A 65 -13.960 -31.636 -29.182 1.00 0.00 C ATOM 622 CD PRO A 65 -14.301 -30.573 -28.160 1.00 0.00 C ATOM 0 HA PRO A 65 -11.410 -30.088 -29.334 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.938 -30.492 -31.002 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.579 -31.584 -30.829 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.860 -32.124 -29.557 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.333 -32.414 -28.746 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.283 -30.139 -28.349 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.323 -30.984 -27.151 1.00 0.00 H new ATOM 630 N ILE A 66 -11.092 -28.004 -30.516 1.00 0.00 N ATOM 631 CA ILE A 66 -10.780 -26.877 -31.397 1.00 0.00 C ATOM 632 C ILE A 66 -10.865 -27.358 -32.857 1.00 0.00 C ATOM 633 O ILE A 66 -10.077 -28.231 -33.256 1.00 0.00 O ATOM 634 CB ILE A 66 -9.347 -26.298 -31.099 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.259 -25.769 -29.649 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.954 -25.193 -32.106 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.936 -24.452 -29.410 1.00 0.00 C ATOM 0 H ILE A 66 -10.292 -28.342 -29.981 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.499 -26.077 -31.221 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.636 -27.116 -31.214 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.696 -26.511 -28.981 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.208 -25.674 -29.376 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.959 -24.819 -31.866 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.954 -25.604 -33.116 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.672 -24.375 -32.047 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.818 -24.167 -28.365 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.486 -23.691 -30.047 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.997 -24.540 -29.645 1.00 0.00 H new ATOM 649 N PRO A 67 -11.837 -26.822 -33.667 1.00 0.00 N ATOM 650 CA PRO A 67 -11.984 -27.219 -35.078 1.00 0.00 C ATOM 651 C PRO A 67 -10.799 -26.699 -35.912 1.00 0.00 C ATOM 652 O PRO A 67 -10.226 -25.639 -35.589 1.00 0.00 O ATOM 653 CB PRO A 67 -13.322 -26.554 -35.493 1.00 0.00 C ATOM 654 CG PRO A 67 -13.436 -25.354 -34.608 1.00 0.00 C ATOM 655 CD PRO A 67 -12.835 -25.773 -33.287 1.00 0.00 C ATOM 0 HA PRO A 67 -11.991 -28.298 -35.233 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.315 -26.271 -36.546 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.163 -27.233 -35.351 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.903 -24.502 -35.030 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.476 -25.051 -34.488 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.360 -24.934 -32.779 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.592 -26.168 -32.610 1.00 0.00 H new ATOM 663 N GLN A 68 -10.442 -27.443 -36.976 1.00 0.00 N ATOM 664 CA GLN A 68 -9.351 -27.070 -37.894 1.00 0.00 C ATOM 665 C GLN A 68 -9.625 -25.710 -38.561 1.00 0.00 C ATOM 666 O GLN A 68 -8.691 -25.050 -39.001 1.00 0.00 O ATOM 667 CB GLN A 68 -9.135 -28.147 -38.987 1.00 0.00 C ATOM 668 CG GLN A 68 -10.363 -28.412 -39.909 1.00 0.00 C ATOM 669 CD GLN A 68 -10.016 -28.540 -41.395 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.118 -27.695 -41.889 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.622 -29.336 -42.116 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.902 -28.319 -37.223 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.444 -26.995 -37.294 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.292 -27.846 -39.609 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.856 -29.083 -38.502 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.857 -29.327 -39.583 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.079 -27.600 -39.783 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.306 -29.974 -41.709 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.439 -29.357 -43.119 1.00 0.00 H new ATOM 680 N ALA A 69 -10.922 -25.311 -38.593 1.00 0.00 N ATOM 681 CA ALA A 69 -11.385 -24.016 -39.112 1.00 0.00 C ATOM 682 C ALA A 69 -10.744 -22.869 -38.320 1.00 0.00 C ATOM 683 O ALA A 69 -10.206 -21.936 -38.900 1.00 0.00 O ATOM 684 CB ALA A 69 -12.922 -23.943 -39.036 1.00 0.00 C ATOM 0 H ALA A 69 -11.683 -25.898 -38.250 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.084 -23.918 -40.155 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.260 -22.981 -39.422 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.354 -24.746 -39.633 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.241 -24.050 -37.999 1.00 0.00 H new ATOM 690 N ARG A 70 -10.774 -23.001 -36.986 1.00 0.00 N ATOM 691 CA ARG A 70 -10.174 -22.024 -36.057 1.00 0.00 C ATOM 692 C ARG A 70 -8.639 -22.097 -36.083 1.00 0.00 C ATOM 693 O ARG A 70 -7.974 -21.088 -35.880 1.00 0.00 O ATOM 694 CB ARG A 70 -10.718 -22.243 -34.615 1.00 0.00 C ATOM 695 CG ARG A 70 -12.205 -21.851 -34.442 1.00 0.00 C ATOM 696 CD ARG A 70 -12.422 -20.333 -34.577 1.00 0.00 C ATOM 697 NE ARG A 70 -13.856 -19.972 -34.632 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.361 -18.747 -34.404 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.586 -17.749 -34.001 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.651 -18.529 -34.586 1.00 0.00 N ATOM 0 H ARG A 70 -11.216 -23.791 -36.516 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.459 -21.025 -36.386 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.595 -23.292 -34.346 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.115 -21.662 -33.917 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.806 -22.371 -35.188 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.555 -22.182 -33.464 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.954 -19.825 -33.734 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.925 -19.976 -35.479 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.516 -20.714 -34.862 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.588 -17.904 -33.859 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.988 -16.827 -33.833 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.257 -19.288 -34.898 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.041 -17.602 -34.415 1.00 0.00 H new ATOM 714 N ARG A 71 -8.090 -23.302 -36.324 1.00 0.00 N ATOM 715 CA ARG A 71 -6.629 -23.525 -36.311 1.00 0.00 C ATOM 716 C ARG A 71 -5.938 -22.935 -37.560 1.00 0.00 C ATOM 717 O ARG A 71 -4.795 -22.469 -37.479 1.00 0.00 O ATOM 718 CB ARG A 71 -6.289 -25.032 -36.157 1.00 0.00 C ATOM 719 CG ARG A 71 -6.995 -25.717 -34.971 1.00 0.00 C ATOM 720 CD ARG A 71 -6.487 -27.136 -34.679 1.00 0.00 C ATOM 721 NE ARG A 71 -5.131 -27.118 -34.096 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.199 -28.057 -34.265 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.402 -29.076 -35.076 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.056 -27.965 -33.623 1.00 0.00 N ATOM 0 H ARG A 71 -8.636 -24.139 -36.531 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.239 -22.995 -35.442 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.560 -25.551 -37.076 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.211 -25.140 -36.036 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.863 -25.104 -34.079 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.065 -25.759 -35.173 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.172 -27.634 -33.993 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.480 -27.717 -35.601 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.885 -26.318 -33.513 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.282 -29.155 -35.585 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.679 -29.786 -35.194 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.884 -27.177 -32.998 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.341 -28.681 -33.750 1.00 0.00 H new ATOM 738 N GLU A 72 -6.636 -22.966 -38.710 1.00 0.00 N ATOM 739 CA GLU A 72 -6.111 -22.422 -39.981 1.00 0.00 C ATOM 740 C GLU A 72 -6.404 -20.910 -40.079 1.00 0.00 C ATOM 741 O GLU A 72 -5.556 -20.133 -40.542 1.00 0.00 O ATOM 742 CB GLU A 72 -6.708 -23.194 -41.195 1.00 0.00 C ATOM 743 CG GLU A 72 -8.237 -23.055 -41.362 1.00 0.00 C ATOM 744 CD GLU A 72 -8.790 -23.801 -42.573 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.152 -24.979 -42.434 1.00 0.00 O ATOM 746 OE2 GLU A 72 -8.862 -23.211 -43.671 1.00 0.00 O ATOM 0 H GLU A 72 -7.572 -23.365 -38.787 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.030 -22.557 -40.000 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.224 -22.842 -42.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.462 -24.251 -41.092 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.728 -23.426 -40.462 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.490 -21.998 -41.450 1.00 0.00 H new ATOM 753 N ALA A 73 -7.614 -20.509 -39.630 1.00 0.00 N ATOM 754 CA ALA A 73 -8.071 -19.107 -39.682 1.00 0.00 C ATOM 755 C ALA A 73 -7.263 -18.238 -38.716 1.00 0.00 C ATOM 756 O ALA A 73 -6.652 -17.242 -39.118 1.00 0.00 O ATOM 757 CB ALA A 73 -9.579 -18.992 -39.381 1.00 0.00 C ATOM 0 H ALA A 73 -8.297 -21.148 -39.223 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.906 -18.745 -40.697 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.881 -17.946 -39.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.142 -19.565 -40.118 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.782 -19.384 -38.384 1.00 0.00 H new ATOM 763 N ILE A 74 -7.254 -18.644 -37.443 1.00 0.00 N ATOM 764 CA ILE A 74 -6.575 -17.908 -36.367 1.00 0.00 C ATOM 765 C ILE A 74 -5.141 -18.464 -36.213 1.00 0.00 C ATOM 766 O ILE A 74 -4.981 -19.671 -35.994 1.00 0.00 O ATOM 767 CB ILE A 74 -7.366 -18.021 -35.006 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.887 -17.705 -35.232 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.752 -17.101 -33.906 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.762 -17.817 -33.998 1.00 0.00 C ATOM 0 H ILE A 74 -7.718 -19.495 -37.126 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.535 -16.850 -36.628 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.278 -19.047 -34.648 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.976 -16.694 -35.630 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.273 -18.383 -35.994 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.323 -17.206 -32.984 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.716 -17.390 -33.726 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.787 -16.063 -34.238 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.793 -17.579 -34.260 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.712 -18.833 -33.608 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.411 -17.119 -33.238 1.00 0.00 H new ATOM 782 N PRO A 75 -4.078 -17.600 -36.339 1.00 0.00 N ATOM 783 CA PRO A 75 -2.661 -18.019 -36.192 1.00 0.00 C ATOM 784 C PRO A 75 -2.240 -18.119 -34.702 1.00 0.00 C ATOM 785 O PRO A 75 -1.221 -17.543 -34.283 1.00 0.00 O ATOM 786 CB PRO A 75 -1.920 -16.889 -36.950 1.00 0.00 C ATOM 787 CG PRO A 75 -2.743 -15.665 -36.685 1.00 0.00 C ATOM 788 CD PRO A 75 -4.182 -16.138 -36.639 1.00 0.00 C ATOM 0 HA PRO A 75 -2.446 -19.014 -36.583 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.899 -16.769 -36.586 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.855 -17.102 -38.017 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.455 -15.196 -35.744 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.601 -14.921 -37.469 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.749 -15.613 -35.871 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.690 -15.961 -37.587 1.00 0.00 H new ATOM 796 N GLY A 76 -3.008 -18.899 -33.923 1.00 0.00 N ATOM 797 CA GLY A 76 -2.825 -18.993 -32.476 1.00 0.00 C ATOM 798 C GLY A 76 -4.143 -18.987 -31.734 1.00 0.00 C ATOM 799 O GLY A 76 -4.382 -18.125 -30.881 1.00 0.00 O ATOM 0 H GLY A 76 -3.768 -19.477 -34.282 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.280 -19.907 -32.239 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.213 -18.159 -32.134 1.00 0.00 H new ATOM 803 N VAL A 77 -5.019 -19.949 -32.066 1.00 0.00 N ATOM 804 CA VAL A 77 -6.311 -20.091 -31.383 1.00 0.00 C ATOM 805 C VAL A 77 -6.120 -20.867 -30.067 1.00 0.00 C ATOM 806 O VAL A 77 -5.365 -21.841 -30.014 1.00 0.00 O ATOM 807 CB VAL A 77 -7.406 -20.780 -32.287 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.021 -22.217 -32.682 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.798 -20.750 -31.606 1.00 0.00 C ATOM 0 H VAL A 77 -4.855 -20.637 -32.801 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.679 -19.089 -31.165 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.462 -20.198 -33.207 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.807 -22.647 -33.303 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.085 -22.203 -33.240 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.898 -22.821 -31.783 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.530 -21.232 -32.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.749 -21.281 -30.655 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.095 -19.716 -31.430 1.00 0.00 H new ATOM 819 N ARG A 78 -6.790 -20.393 -29.014 1.00 0.00 N ATOM 820 CA ARG A 78 -6.734 -20.963 -27.654 1.00 0.00 C ATOM 821 C ARG A 78 -8.148 -21.038 -27.044 1.00 0.00 C ATOM 822 O ARG A 78 -8.333 -21.296 -25.847 1.00 0.00 O ATOM 823 CB ARG A 78 -5.706 -20.143 -26.808 1.00 0.00 C ATOM 824 CG ARG A 78 -5.783 -18.596 -26.972 1.00 0.00 C ATOM 825 CD ARG A 78 -6.802 -17.923 -26.045 1.00 0.00 C ATOM 826 NE ARG A 78 -6.250 -17.665 -24.702 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.840 -17.940 -23.534 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.994 -18.594 -23.474 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.241 -17.574 -22.420 1.00 0.00 N ATOM 0 H ARG A 78 -7.404 -19.581 -29.079 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.378 -21.993 -27.672 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.852 -20.387 -25.756 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.701 -20.469 -27.074 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.797 -18.171 -26.782 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.037 -18.362 -28.006 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.128 -16.982 -26.489 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.685 -18.557 -25.957 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.326 -17.234 -24.660 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.452 -18.900 -24.332 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.422 -18.791 -22.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.344 -17.090 -22.459 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.674 -17.774 -21.519 1.00 0.00 H new ATOM 843 N LEU A 79 -9.160 -20.871 -27.915 1.00 0.00 N ATOM 844 CA LEU A 79 -10.584 -20.820 -27.544 1.00 0.00 C ATOM 845 C LEU A 79 -11.413 -21.553 -28.609 1.00 0.00 C ATOM 846 O LEU A 79 -11.241 -21.294 -29.800 1.00 0.00 O ATOM 847 CB LEU A 79 -11.048 -19.341 -27.489 1.00 0.00 C ATOM 848 CG LEU A 79 -10.371 -18.440 -26.418 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.453 -16.957 -26.782 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.957 -18.701 -25.031 1.00 0.00 C ATOM 0 H LEU A 79 -9.006 -20.766 -28.918 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.721 -21.292 -26.571 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.878 -18.894 -28.468 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.124 -19.327 -27.315 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.314 -18.706 -26.395 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.968 -16.365 -26.006 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.951 -16.788 -27.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.498 -16.660 -26.865 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.465 -18.058 -24.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.026 -18.487 -25.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.798 -19.745 -24.759 1.00 0.00 H new ATOM 862 N CYS A 80 -12.313 -22.473 -28.191 1.00 0.00 N ATOM 863 CA CYS A 80 -13.257 -23.149 -29.128 1.00 0.00 C ATOM 864 C CYS A 80 -14.225 -22.111 -29.682 1.00 0.00 C ATOM 865 O CYS A 80 -14.390 -21.084 -29.041 1.00 0.00 O ATOM 866 CB CYS A 80 -14.035 -24.282 -28.412 1.00 0.00 C ATOM 867 SG CYS A 80 -15.234 -23.702 -27.168 1.00 0.00 S ATOM 0 H CYS A 80 -12.410 -22.767 -27.219 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.691 -23.601 -29.943 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.563 -24.873 -29.160 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.320 -24.947 -27.928 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.040 -24.335 -26.050 1.00 0.00 H new ATOM 872 N ILE A 81 -14.902 -22.405 -30.816 1.00 0.00 N ATOM 873 CA ILE A 81 -15.761 -21.423 -31.544 1.00 0.00 C ATOM 874 C ILE A 81 -16.784 -20.717 -30.601 1.00 0.00 C ATOM 875 O ILE A 81 -17.100 -19.536 -30.776 1.00 0.00 O ATOM 876 CB ILE A 81 -16.501 -22.134 -32.748 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.444 -21.138 -33.515 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.267 -23.407 -32.273 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.208 -21.733 -34.686 1.00 0.00 C ATOM 0 H ILE A 81 -14.873 -23.325 -31.257 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.108 -20.644 -31.938 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.738 -22.461 -33.455 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.162 -20.726 -32.806 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.844 -20.305 -33.881 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.764 -23.871 -33.125 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.562 -24.114 -31.835 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.011 -23.127 -31.527 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.828 -20.963 -35.145 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.503 -22.118 -35.423 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.842 -22.546 -34.332 1.00 0.00 H new ATOM 891 N HIS A 82 -17.199 -21.444 -29.551 1.00 0.00 N ATOM 892 CA HIS A 82 -18.150 -20.971 -28.524 1.00 0.00 C ATOM 893 C HIS A 82 -17.497 -19.890 -27.626 1.00 0.00 C ATOM 894 O HIS A 82 -18.045 -18.798 -27.460 1.00 0.00 O ATOM 895 CB HIS A 82 -18.639 -22.172 -27.668 1.00 0.00 C ATOM 896 CG HIS A 82 -19.094 -23.359 -28.471 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.360 -23.473 -28.994 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.426 -24.462 -28.884 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.447 -24.580 -29.689 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.293 -25.203 -29.636 1.00 0.00 N ATOM 0 H HIS A 82 -16.878 -22.398 -29.386 1.00 0.00 H new ATOM 0 HA HIS A 82 -19.008 -20.519 -29.022 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.831 -22.484 -27.006 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.461 -21.840 -27.034 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.399 -24.710 -28.660 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.324 -24.923 -30.218 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.079 -26.094 -30.083 1.00 0.00 H new ATOM 909 N CYS A 83 -16.303 -20.199 -27.065 1.00 0.00 N ATOM 910 CA CYS A 83 -15.544 -19.242 -26.219 1.00 0.00 C ATOM 911 C CYS A 83 -14.818 -18.185 -27.077 1.00 0.00 C ATOM 912 O CYS A 83 -14.389 -17.162 -26.552 1.00 0.00 O ATOM 913 CB CYS A 83 -14.503 -19.953 -25.318 1.00 0.00 C ATOM 914 SG CYS A 83 -15.139 -21.295 -24.267 1.00 0.00 S ATOM 0 H CYS A 83 -15.844 -21.102 -27.182 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.282 -18.754 -25.583 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.718 -20.359 -25.956 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.037 -19.205 -24.676 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.329 -22.359 -24.989 1.00 0.00 H new ATOM 919 N GLN A 84 -14.640 -18.450 -28.386 1.00 0.00 N ATOM 920 CA GLN A 84 -13.851 -17.571 -29.267 1.00 0.00 C ATOM 921 C GLN A 84 -14.707 -16.384 -29.730 1.00 0.00 C ATOM 922 O GLN A 84 -14.225 -15.256 -29.726 1.00 0.00 O ATOM 923 CB GLN A 84 -13.267 -18.356 -30.497 1.00 0.00 C ATOM 924 CG GLN A 84 -11.827 -17.956 -30.920 1.00 0.00 C ATOM 925 CD GLN A 84 -11.615 -16.445 -31.091 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.834 -15.889 -32.162 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.169 -15.774 -30.033 1.00 0.00 N ATOM 0 H GLN A 84 -15.033 -19.266 -28.855 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.004 -17.192 -28.696 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.277 -19.421 -30.265 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.931 -18.210 -31.349 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.125 -18.327 -30.173 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.585 -18.453 -31.859 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.996 -16.263 -29.155 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.000 -14.770 -30.100 1.00 0.00 H new