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 153:sc= -0.675! USER MOD Set 1.2: A 62 CYS SG : rot -44:sc= -0.896 USER MOD Set 1.3: A 80 CYS SG : rot -134:sc= 0.344 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.135 X(o=-1.4,f=-1.2) USER MOD Set 1.5: A 83 CYS SG : rot 80:sc=0.000286 USER MOD Single : A 38 THR OG1 : rot 40:sc= 0.151 USER MOD Single : A 55 SER OG : rot -172:sc= 0.839 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.000395 F(o=-1.6,f=-0.00039) USER MOD Single : A 84 GLN : amide:sc= -1.16 K(o=-1.2,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 11.931 -25.480 -22.276 1.00 0.00 N ATOM 235 CA THR A 38 13.061 -26.088 -22.984 1.00 0.00 C ATOM 236 C THR A 38 12.887 -27.625 -23.087 1.00 0.00 C ATOM 237 O THR A 38 13.292 -28.249 -24.079 1.00 0.00 O ATOM 238 CB THR A 38 14.392 -25.754 -22.241 1.00 0.00 C ATOM 239 OG1 THR A 38 14.495 -24.334 -22.043 1.00 0.00 O ATOM 240 CG2 THR A 38 15.610 -26.261 -23.019 1.00 0.00 C ATOM 0 HA THR A 38 13.095 -25.678 -23.993 1.00 0.00 H new ATOM 0 HB THR A 38 14.376 -26.259 -21.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.618 -23.974 -21.795 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.520 -26.012 -22.473 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.542 -27.343 -23.137 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.636 -25.790 -24.002 1.00 0.00 H new ATOM 248 N ILE A 39 12.266 -28.213 -22.045 1.00 0.00 N ATOM 249 CA ILE A 39 12.014 -29.661 -21.951 1.00 0.00 C ATOM 250 C ILE A 39 10.928 -30.074 -22.971 1.00 0.00 C ATOM 251 O ILE A 39 11.068 -31.079 -23.678 1.00 0.00 O ATOM 252 CB ILE A 39 11.604 -30.101 -20.476 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.817 -30.003 -19.469 1.00 0.00 C ATOM 254 CG2 ILE A 39 11.005 -31.536 -20.446 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.339 -28.603 -19.170 1.00 0.00 C ATOM 0 H ILE A 39 11.923 -27.690 -21.239 1.00 0.00 H new ATOM 0 HA ILE A 39 12.943 -30.179 -22.189 1.00 0.00 H new ATOM 0 HB ILE A 39 10.835 -29.399 -20.153 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.518 -30.464 -18.528 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.640 -30.597 -19.867 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.739 -31.798 -19.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.114 -31.572 -21.073 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.742 -32.246 -20.822 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.170 -28.667 -18.467 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.680 -28.137 -20.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.541 -28.002 -18.734 1.00 0.00 H new ATOM 267 N GLU A 40 9.869 -29.249 -23.083 1.00 0.00 N ATOM 268 CA GLU A 40 8.742 -29.518 -24.007 1.00 0.00 C ATOM 269 C GLU A 40 9.173 -29.192 -25.450 1.00 0.00 C ATOM 270 O GLU A 40 8.653 -29.766 -26.404 1.00 0.00 O ATOM 271 CB GLU A 40 7.478 -28.710 -23.599 1.00 0.00 C ATOM 272 CG GLU A 40 7.512 -27.212 -23.958 1.00 0.00 C ATOM 273 CD GLU A 40 6.345 -26.408 -23.372 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.287 -26.258 -22.133 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.491 -25.920 -24.139 1.00 0.00 O ATOM 0 H GLU A 40 9.767 -28.388 -22.545 1.00 0.00 H new ATOM 0 HA GLU A 40 8.479 -30.574 -23.948 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.608 -29.162 -24.076 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.337 -28.806 -22.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.450 -26.784 -23.603 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.504 -27.108 -25.043 1.00 0.00 H new ATOM 282 N ASP A 41 10.136 -28.253 -25.571 1.00 0.00 N ATOM 283 CA ASP A 41 10.817 -27.917 -26.838 1.00 0.00 C ATOM 284 C ASP A 41 11.651 -29.119 -27.311 1.00 0.00 C ATOM 285 O ASP A 41 11.676 -29.440 -28.504 1.00 0.00 O ATOM 286 CB ASP A 41 11.725 -26.683 -26.621 1.00 0.00 C ATOM 287 CG ASP A 41 12.447 -26.175 -27.881 1.00 0.00 C ATOM 288 OD1 ASP A 41 13.564 -26.651 -28.188 1.00 0.00 O ATOM 289 OD2 ASP A 41 11.916 -25.272 -28.553 1.00 0.00 O ATOM 0 H ASP A 41 10.466 -27.700 -24.780 1.00 0.00 H new ATOM 0 HA ASP A 41 10.077 -27.682 -27.603 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.119 -25.872 -26.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.473 -26.929 -25.867 1.00 0.00 H new ATOM 294 N ALA A 42 12.301 -29.788 -26.345 1.00 0.00 N ATOM 295 CA ALA A 42 13.127 -30.984 -26.591 1.00 0.00 C ATOM 296 C ALA A 42 12.275 -32.147 -27.128 1.00 0.00 C ATOM 297 O ALA A 42 12.746 -32.956 -27.933 1.00 0.00 O ATOM 298 CB ALA A 42 13.860 -31.388 -25.303 1.00 0.00 C ATOM 0 H ALA A 42 12.269 -29.513 -25.363 1.00 0.00 H new ATOM 0 HA ALA A 42 13.867 -30.743 -27.354 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.468 -32.272 -25.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.502 -30.569 -24.977 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.131 -31.609 -24.524 1.00 0.00 H new ATOM 304 N ILE A 43 11.016 -32.226 -26.662 1.00 0.00 N ATOM 305 CA ILE A 43 10.049 -33.235 -27.139 1.00 0.00 C ATOM 306 C ILE A 43 9.298 -32.717 -28.406 1.00 0.00 C ATOM 307 O ILE A 43 8.745 -33.507 -29.180 1.00 0.00 O ATOM 308 CB ILE A 43 9.028 -33.641 -26.006 1.00 0.00 C ATOM 309 CG1 ILE A 43 9.743 -33.892 -24.637 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.203 -34.889 -26.410 1.00 0.00 C ATOM 311 CD1 ILE A 43 10.741 -35.041 -24.615 1.00 0.00 C ATOM 0 H ILE A 43 10.641 -31.599 -25.950 1.00 0.00 H new ATOM 0 HA ILE A 43 10.608 -34.131 -27.410 1.00 0.00 H new ATOM 0 HB ILE A 43 8.348 -32.798 -25.883 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.262 -32.979 -24.346 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.982 -34.081 -23.880 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.510 -35.142 -25.608 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.643 -34.676 -27.320 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.876 -35.728 -26.586 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.177 -35.126 -23.619 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.231 -35.971 -24.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.531 -34.851 -25.342 1.00 0.00 H new ATOM 323 N ALA A 44 9.291 -31.378 -28.612 1.00 0.00 N ATOM 324 CA ALA A 44 8.642 -30.730 -29.778 1.00 0.00 C ATOM 325 C ALA A 44 9.376 -31.105 -31.070 1.00 0.00 C ATOM 326 O ALA A 44 8.780 -31.649 -32.000 1.00 0.00 O ATOM 327 CB ALA A 44 8.588 -29.205 -29.600 1.00 0.00 C ATOM 0 H ALA A 44 9.735 -30.717 -27.975 1.00 0.00 H new ATOM 0 HA ALA A 44 7.616 -31.092 -29.846 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.108 -28.754 -30.468 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.017 -28.963 -28.703 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.601 -28.814 -29.502 1.00 0.00 H new ATOM 333 N ARG A 45 10.690 -30.845 -31.105 1.00 0.00 N ATOM 334 CA ARG A 45 11.548 -31.212 -32.256 1.00 0.00 C ATOM 335 C ARG A 45 11.792 -32.740 -32.347 1.00 0.00 C ATOM 336 O ARG A 45 12.372 -33.224 -33.326 1.00 0.00 O ATOM 337 CB ARG A 45 12.876 -30.380 -32.237 1.00 0.00 C ATOM 338 CG ARG A 45 13.626 -30.254 -30.879 1.00 0.00 C ATOM 339 CD ARG A 45 14.236 -31.559 -30.347 1.00 0.00 C ATOM 340 NE ARG A 45 15.237 -32.121 -31.254 1.00 0.00 N ATOM 341 CZ ARG A 45 15.769 -33.347 -31.161 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.408 -34.182 -30.190 1.00 0.00 N ATOM 343 NH2 ARG A 45 16.661 -33.737 -32.055 1.00 0.00 N ATOM 0 H ARG A 45 11.191 -30.379 -30.348 1.00 0.00 H new ATOM 0 HA ARG A 45 11.015 -30.952 -33.171 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.561 -30.823 -32.960 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.648 -29.374 -32.590 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.422 -29.517 -30.989 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.932 -29.865 -30.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.695 -31.372 -29.376 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.442 -32.289 -30.190 1.00 0.00 H new ATOM 0 HE ARG A 45 15.557 -31.530 -32.021 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.715 -33.893 -29.500 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.824 -35.112 -30.136 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.939 -33.106 -32.807 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.072 -34.669 -31.993 1.00 0.00 H new ATOM 357 N ALA A 46 11.343 -33.482 -31.314 1.00 0.00 N ATOM 358 CA ALA A 46 11.467 -34.948 -31.250 1.00 0.00 C ATOM 359 C ALA A 46 10.269 -35.665 -31.913 1.00 0.00 C ATOM 360 O ALA A 46 10.458 -36.531 -32.769 1.00 0.00 O ATOM 361 CB ALA A 46 11.604 -35.410 -29.794 1.00 0.00 C ATOM 0 H ALA A 46 10.883 -33.077 -30.499 1.00 0.00 H new ATOM 0 HA ALA A 46 12.365 -35.217 -31.806 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.695 -36.496 -29.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.492 -34.959 -29.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.723 -35.104 -29.231 1.00 0.00 H new ATOM 367 N ARG A 47 9.031 -35.310 -31.492 1.00 0.00 N ATOM 368 CA ARG A 47 7.795 -36.020 -31.920 1.00 0.00 C ATOM 369 C ARG A 47 6.662 -35.044 -32.281 1.00 0.00 C ATOM 370 O ARG A 47 5.657 -35.446 -32.884 1.00 0.00 O ATOM 371 CB ARG A 47 7.346 -37.021 -30.807 1.00 0.00 C ATOM 372 CG ARG A 47 6.819 -36.422 -29.461 1.00 0.00 C ATOM 373 CD ARG A 47 5.281 -36.243 -29.421 1.00 0.00 C ATOM 374 NE ARG A 47 4.765 -35.957 -28.057 1.00 0.00 N ATOM 375 CZ ARG A 47 3.792 -36.662 -27.434 1.00 0.00 C ATOM 376 NH1 ARG A 47 3.290 -37.763 -27.984 1.00 0.00 N ATOM 377 NH2 ARG A 47 3.345 -36.280 -26.247 1.00 0.00 N ATOM 0 H ARG A 47 8.859 -34.533 -30.854 1.00 0.00 H new ATOM 0 HA ARG A 47 8.024 -36.579 -32.827 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.562 -37.655 -31.222 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.192 -37.669 -30.578 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.122 -37.072 -28.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.293 -35.455 -29.293 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.998 -35.429 -30.089 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.805 -37.147 -29.801 1.00 0.00 H new ATOM 0 HE ARG A 47 5.175 -35.171 -27.553 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.638 -38.086 -28.887 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.557 -38.285 -27.503 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.734 -35.451 -25.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.612 -36.815 -25.782 1.00 0.00 H new ATOM 391 N GLY A 48 6.829 -33.767 -31.920 1.00 0.00 N ATOM 392 CA GLY A 48 5.782 -32.762 -32.104 1.00 0.00 C ATOM 393 C GLY A 48 4.896 -32.635 -30.873 1.00 0.00 C ATOM 394 O GLY A 48 3.671 -32.774 -30.963 1.00 0.00 O ATOM 0 H GLY A 48 7.684 -33.406 -31.497 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.239 -31.797 -32.324 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.170 -33.028 -32.966 1.00 0.00 H new ATOM 398 N GLU A 49 5.547 -32.419 -29.714 1.00 0.00 N ATOM 399 CA GLU A 49 4.877 -32.187 -28.422 1.00 0.00 C ATOM 400 C GLU A 49 4.053 -30.885 -28.470 1.00 0.00 C ATOM 401 O GLU A 49 2.829 -30.917 -28.667 1.00 0.00 O ATOM 402 CB GLU A 49 5.934 -32.127 -27.284 1.00 0.00 C ATOM 403 CG GLU A 49 5.363 -32.043 -25.855 1.00 0.00 C ATOM 404 CD GLU A 49 4.583 -33.307 -25.457 1.00 0.00 C ATOM 405 OE1 GLU A 49 5.205 -34.292 -25.012 1.00 0.00 O ATOM 406 OE2 GLU A 49 3.353 -33.347 -25.636 1.00 0.00 O ATOM 0 H GLU A 49 6.565 -32.401 -29.649 1.00 0.00 H new ATOM 0 HA GLU A 49 4.194 -33.013 -28.222 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.567 -33.011 -27.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.575 -31.262 -27.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.179 -31.887 -25.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.706 -31.176 -25.780 1.00 0.00 H new ATOM 413 N ILE A 50 4.737 -29.734 -28.315 1.00 0.00 N ATOM 414 CA ILE A 50 4.102 -28.410 -28.349 1.00 0.00 C ATOM 415 C ILE A 50 4.677 -27.598 -29.526 1.00 0.00 C ATOM 416 O ILE A 50 5.898 -27.497 -29.666 1.00 0.00 O ATOM 417 CB ILE A 50 4.274 -27.635 -26.984 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.548 -28.391 -25.824 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.775 -26.162 -27.071 1.00 0.00 C ATOM 420 CD1 ILE A 50 2.041 -28.589 -26.009 1.00 0.00 C ATOM 0 H ILE A 50 5.745 -29.701 -28.163 1.00 0.00 H new ATOM 0 HA ILE A 50 3.030 -28.546 -28.494 1.00 0.00 H new ATOM 0 HB ILE A 50 5.342 -27.601 -26.771 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.013 -29.369 -25.704 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.714 -27.843 -24.897 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.915 -25.673 -26.107 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.343 -25.630 -27.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.717 -26.151 -27.333 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.636 -29.123 -25.149 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.554 -27.618 -26.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.859 -29.168 -26.915 1.00 0.00 H new ATOM 492 N SER A 55 -1.490 -22.815 -32.996 1.00 0.00 N ATOM 493 CA SER A 55 -2.847 -23.338 -32.792 1.00 0.00 C ATOM 494 C SER A 55 -2.855 -24.726 -32.114 1.00 0.00 C ATOM 495 O SER A 55 -2.106 -25.626 -32.510 1.00 0.00 O ATOM 496 CB SER A 55 -3.538 -23.404 -34.161 1.00 0.00 C ATOM 497 OG SER A 55 -3.511 -22.137 -34.794 1.00 0.00 O ATOM 0 HA SER A 55 -3.382 -22.670 -32.117 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.040 -24.142 -34.790 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.570 -23.733 -34.038 1.00 0.00 H new ATOM 0 HG SER A 55 -4.058 -22.166 -35.607 1.00 0.00 H new ATOM 503 N LEU A 56 -3.708 -24.871 -31.087 1.00 0.00 N ATOM 504 CA LEU A 56 -3.876 -26.127 -30.327 1.00 0.00 C ATOM 505 C LEU A 56 -5.162 -26.860 -30.776 1.00 0.00 C ATOM 506 O LEU A 56 -5.875 -26.388 -31.667 1.00 0.00 O ATOM 507 CB LEU A 56 -3.834 -25.836 -28.783 1.00 0.00 C ATOM 508 CG LEU A 56 -4.663 -24.627 -28.229 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.166 -24.795 -28.442 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.364 -24.354 -26.739 1.00 0.00 C ATOM 0 H LEU A 56 -4.307 -24.115 -30.756 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.046 -26.801 -30.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.172 -26.734 -28.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.792 -25.680 -28.503 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.342 -23.762 -28.809 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.690 -23.928 -28.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.375 -24.882 -29.508 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.508 -25.695 -27.931 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.960 -23.508 -26.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.615 -25.236 -26.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.305 -24.125 -26.616 1.00 0.00 H new ATOM 522 N ASP A 57 -5.457 -28.004 -30.132 1.00 0.00 N ATOM 523 CA ASP A 57 -6.623 -28.861 -30.466 1.00 0.00 C ATOM 524 C ASP A 57 -7.603 -28.990 -29.273 1.00 0.00 C ATOM 525 O ASP A 57 -8.643 -29.655 -29.387 1.00 0.00 O ATOM 526 CB ASP A 57 -6.136 -30.261 -30.926 1.00 0.00 C ATOM 527 CG ASP A 57 -5.367 -31.036 -29.835 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.224 -30.647 -29.511 1.00 0.00 O ATOM 529 OD2 ASP A 57 -5.912 -32.025 -29.290 1.00 0.00 O ATOM 0 H ASP A 57 -4.895 -28.366 -29.362 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.167 -28.384 -31.281 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.997 -30.851 -31.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.493 -30.144 -31.799 1.00 0.00 H new ATOM 534 N GLU A 58 -7.285 -28.304 -28.152 1.00 0.00 N ATOM 535 CA GLU A 58 -8.065 -28.360 -26.887 1.00 0.00 C ATOM 536 C GLU A 58 -8.181 -26.949 -26.273 1.00 0.00 C ATOM 537 O GLU A 58 -7.188 -26.364 -25.844 1.00 0.00 O ATOM 538 CB GLU A 58 -7.419 -29.324 -25.856 1.00 0.00 C ATOM 539 CG GLU A 58 -7.453 -30.806 -26.246 1.00 0.00 C ATOM 540 CD GLU A 58 -6.775 -31.699 -25.202 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.526 -31.712 -25.141 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.483 -32.371 -24.421 1.00 0.00 O ATOM 0 H GLU A 58 -6.473 -27.689 -28.096 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.058 -28.740 -27.130 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.381 -29.027 -25.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.928 -29.204 -24.900 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.488 -31.122 -26.373 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.959 -30.937 -27.209 1.00 0.00 H new ATOM 549 N CYS A 59 -9.412 -26.422 -26.288 1.00 0.00 N ATOM 550 CA CYS A 59 -9.806 -25.142 -25.656 1.00 0.00 C ATOM 551 C CYS A 59 -9.319 -25.024 -24.199 1.00 0.00 C ATOM 552 O CYS A 59 -9.592 -25.910 -23.399 1.00 0.00 O ATOM 553 CB CYS A 59 -11.339 -25.075 -25.706 1.00 0.00 C ATOM 554 SG CYS A 59 -12.103 -23.638 -24.907 1.00 0.00 S ATOM 0 H CYS A 59 -10.192 -26.885 -26.754 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.344 -24.316 -26.196 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.649 -25.091 -26.751 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.737 -25.977 -25.242 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.249 -23.388 -25.467 1.00 0.00 H new ATOM 559 N GLU A 60 -8.619 -23.924 -23.851 1.00 0.00 N ATOM 560 CA GLU A 60 -8.102 -23.718 -22.472 1.00 0.00 C ATOM 561 C GLU A 60 -9.228 -23.355 -21.458 1.00 0.00 C ATOM 562 O GLU A 60 -8.994 -23.331 -20.248 1.00 0.00 O ATOM 563 CB GLU A 60 -6.998 -22.633 -22.461 1.00 0.00 C ATOM 564 CG GLU A 60 -7.466 -21.230 -22.887 1.00 0.00 C ATOM 565 CD GLU A 60 -6.381 -20.164 -22.724 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.362 -20.234 -23.436 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.536 -19.252 -21.893 1.00 0.00 O ATOM 0 H GLU A 60 -8.397 -23.167 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.675 -24.668 -22.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.579 -22.571 -21.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.192 -22.948 -23.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.785 -21.260 -23.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.337 -20.948 -22.295 1.00 0.00 H new ATOM 574 N GLU A 61 -10.442 -23.088 -21.971 1.00 0.00 N ATOM 575 CA GLU A 61 -11.616 -22.701 -21.162 1.00 0.00 C ATOM 576 C GLU A 61 -12.368 -23.937 -20.668 1.00 0.00 C ATOM 577 O GLU A 61 -12.585 -24.121 -19.467 1.00 0.00 O ATOM 578 CB GLU A 61 -12.571 -21.834 -22.023 1.00 0.00 C ATOM 579 CG GLU A 61 -11.953 -20.552 -22.576 1.00 0.00 C ATOM 580 CD GLU A 61 -11.778 -19.436 -21.535 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.822 -19.487 -20.741 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.599 -18.493 -21.520 1.00 0.00 O ATOM 0 H GLU A 61 -10.640 -23.135 -22.971 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.269 -22.134 -20.298 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.931 -22.436 -22.857 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.441 -21.571 -21.421 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.980 -20.788 -23.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.579 -20.181 -23.388 1.00 0.00 H new ATOM 589 N CYS A 62 -12.747 -24.796 -21.629 1.00 0.00 N ATOM 590 CA CYS A 62 -13.676 -25.911 -21.364 1.00 0.00 C ATOM 591 C CYS A 62 -13.181 -27.242 -21.963 1.00 0.00 C ATOM 592 O CYS A 62 -13.930 -28.219 -21.989 1.00 0.00 O ATOM 593 CB CYS A 62 -15.083 -25.542 -21.901 1.00 0.00 C ATOM 594 SG CYS A 62 -15.253 -25.500 -23.709 1.00 0.00 S ATOM 0 H CYS A 62 -12.426 -24.741 -22.596 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.727 -26.064 -20.286 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.802 -26.258 -21.504 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.357 -24.564 -21.506 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.232 -24.885 -24.227 1.00 0.00 H new ATOM 599 N GLY A 63 -11.908 -27.271 -22.414 1.00 0.00 N ATOM 600 CA GLY A 63 -11.291 -28.466 -23.032 1.00 0.00 C ATOM 601 C GLY A 63 -12.045 -29.031 -24.232 1.00 0.00 C ATOM 602 O GLY A 63 -11.960 -30.222 -24.520 1.00 0.00 O ATOM 0 H GLY A 63 -11.280 -26.469 -22.360 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.278 -28.213 -23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.206 -29.246 -22.275 1.00 0.00 H new ATOM 606 N ALA A 64 -12.800 -28.163 -24.919 1.00 0.00 N ATOM 607 CA ALA A 64 -13.596 -28.549 -26.101 1.00 0.00 C ATOM 608 C ALA A 64 -12.696 -28.730 -27.341 1.00 0.00 C ATOM 609 O ALA A 64 -11.677 -28.028 -27.460 1.00 0.00 O ATOM 610 CB ALA A 64 -14.670 -27.489 -26.366 1.00 0.00 C ATOM 0 H ALA A 64 -12.879 -27.176 -24.675 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.078 -29.506 -25.900 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.257 -27.776 -27.239 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.325 -27.410 -25.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.193 -26.526 -26.549 1.00 0.00 H new ATOM 616 N PRO A 65 -13.073 -29.652 -28.291 1.00 0.00 N ATOM 617 CA PRO A 65 -12.313 -29.871 -29.542 1.00 0.00 C ATOM 618 C PRO A 65 -12.273 -28.592 -30.411 1.00 0.00 C ATOM 619 O PRO A 65 -13.312 -28.105 -30.880 1.00 0.00 O ATOM 620 CB PRO A 65 -13.075 -31.028 -30.245 1.00 0.00 C ATOM 621 CG PRO A 65 -14.447 -30.996 -29.650 1.00 0.00 C ATOM 622 CD PRO A 65 -14.259 -30.552 -28.219 1.00 0.00 C ATOM 0 HA PRO A 65 -11.267 -30.117 -29.361 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.108 -30.882 -31.325 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.589 -31.987 -30.068 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.094 -30.306 -30.193 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.918 -31.978 -29.697 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.138 -30.029 -27.841 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.082 -31.398 -27.555 1.00 0.00 H new ATOM 630 N ILE A 66 -11.068 -28.021 -30.533 1.00 0.00 N ATOM 631 CA ILE A 66 -10.798 -26.856 -31.382 1.00 0.00 C ATOM 632 C ILE A 66 -10.967 -27.243 -32.866 1.00 0.00 C ATOM 633 O ILE A 66 -10.263 -28.141 -33.346 1.00 0.00 O ATOM 634 CB ILE A 66 -9.346 -26.317 -31.112 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.207 -25.874 -29.633 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.970 -25.165 -32.077 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.806 -24.534 -29.306 1.00 0.00 C ATOM 0 H ILE A 66 -10.243 -28.360 -30.038 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.508 -26.064 -31.144 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.646 -27.131 -31.301 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.675 -26.627 -28.999 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.148 -25.853 -29.375 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.959 -24.821 -31.857 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.016 -25.523 -33.106 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.670 -24.339 -31.948 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.656 -24.317 -28.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.323 -23.763 -29.907 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.874 -24.549 -29.526 1.00 0.00 H new ATOM 649 N PRO A 67 -11.910 -26.581 -33.610 1.00 0.00 N ATOM 650 CA PRO A 67 -12.147 -26.883 -35.028 1.00 0.00 C ATOM 651 C PRO A 67 -11.032 -26.286 -35.916 1.00 0.00 C ATOM 652 O PRO A 67 -10.440 -25.244 -35.574 1.00 0.00 O ATOM 653 CB PRO A 67 -13.527 -26.238 -35.291 1.00 0.00 C ATOM 654 CG PRO A 67 -13.581 -25.073 -34.357 1.00 0.00 C ATOM 655 CD PRO A 67 -12.791 -25.484 -33.131 1.00 0.00 C ATOM 0 HA PRO A 67 -12.137 -27.948 -35.261 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.625 -25.919 -36.329 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.337 -26.941 -35.096 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.152 -24.183 -34.818 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.611 -24.831 -34.095 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.209 -24.651 -32.735 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.448 -25.823 -32.330 1.00 0.00 H new ATOM 663 N GLN A 68 -10.758 -26.956 -37.050 1.00 0.00 N ATOM 664 CA GLN A 68 -9.674 -26.573 -37.975 1.00 0.00 C ATOM 665 C GLN A 68 -9.876 -25.156 -38.533 1.00 0.00 C ATOM 666 O GLN A 68 -8.901 -24.485 -38.878 1.00 0.00 O ATOM 667 CB GLN A 68 -9.533 -27.631 -39.120 1.00 0.00 C ATOM 668 CG GLN A 68 -10.766 -27.792 -40.057 1.00 0.00 C ATOM 669 CD GLN A 68 -10.683 -27.045 -41.405 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.849 -26.017 -41.507 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.331 -27.436 -42.378 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.281 -27.778 -37.352 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.741 -26.557 -37.412 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.670 -27.364 -39.730 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.316 -28.599 -38.668 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.910 -28.853 -40.259 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.652 -27.446 -39.524 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.967 -28.227 -42.282 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.231 -26.968 -43.279 1.00 0.00 H new ATOM 680 N ALA A 69 -11.152 -24.718 -38.606 1.00 0.00 N ATOM 681 CA ALA A 69 -11.535 -23.382 -39.105 1.00 0.00 C ATOM 682 C ALA A 69 -10.944 -22.285 -38.205 1.00 0.00 C ATOM 683 O ALA A 69 -10.442 -21.276 -38.695 1.00 0.00 O ATOM 684 CB ALA A 69 -13.071 -23.258 -39.197 1.00 0.00 C ATOM 0 H ALA A 69 -11.949 -25.286 -38.318 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.127 -23.253 -40.108 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.335 -22.267 -39.566 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.457 -24.015 -39.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.508 -23.405 -38.209 1.00 0.00 H new ATOM 690 N ARG A 70 -10.987 -22.510 -36.879 1.00 0.00 N ATOM 691 CA ARG A 70 -10.397 -21.586 -35.890 1.00 0.00 C ATOM 692 C ARG A 70 -8.863 -21.646 -35.923 1.00 0.00 C ATOM 693 O ARG A 70 -8.196 -20.647 -35.659 1.00 0.00 O ATOM 694 CB ARG A 70 -10.932 -21.900 -34.468 1.00 0.00 C ATOM 695 CG ARG A 70 -12.430 -21.567 -34.242 1.00 0.00 C ATOM 696 CD ARG A 70 -12.736 -20.051 -34.140 1.00 0.00 C ATOM 697 NE ARG A 70 -12.599 -19.323 -35.419 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.571 -17.983 -35.547 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.667 -17.185 -34.494 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.468 -17.440 -36.741 1.00 0.00 N ATOM 0 H ARG A 70 -11.428 -23.331 -36.464 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.695 -20.571 -36.154 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.776 -22.959 -34.263 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.338 -21.344 -33.742 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.012 -21.989 -35.061 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.765 -22.056 -33.327 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.751 -19.920 -33.766 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.066 -19.604 -33.406 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.520 -19.879 -36.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.765 -17.583 -33.560 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.643 -16.173 -34.617 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.410 -18.034 -37.568 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.447 -16.425 -36.840 1.00 0.00 H new ATOM 714 N ARG A 71 -8.316 -22.831 -36.247 1.00 0.00 N ATOM 715 CA ARG A 71 -6.857 -23.063 -36.287 1.00 0.00 C ATOM 716 C ARG A 71 -6.188 -22.343 -37.475 1.00 0.00 C ATOM 717 O ARG A 71 -5.055 -21.865 -37.356 1.00 0.00 O ATOM 718 CB ARG A 71 -6.546 -24.585 -36.315 1.00 0.00 C ATOM 719 CG ARG A 71 -7.082 -25.347 -35.086 1.00 0.00 C ATOM 720 CD ARG A 71 -6.587 -26.798 -34.976 1.00 0.00 C ATOM 721 NE ARG A 71 -7.042 -27.660 -36.081 1.00 0.00 N ATOM 722 CZ ARG A 71 -7.644 -28.855 -35.940 1.00 0.00 C ATOM 723 NH1 ARG A 71 -8.035 -29.287 -34.748 1.00 0.00 N ATOM 724 NH2 ARG A 71 -7.885 -29.592 -37.008 1.00 0.00 N ATOM 0 H ARG A 71 -8.869 -23.654 -36.488 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.435 -22.638 -35.377 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.977 -25.019 -37.217 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.467 -24.726 -36.377 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.793 -24.807 -34.184 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.171 -25.349 -35.121 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.497 -26.801 -34.949 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.930 -27.220 -34.032 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.888 -27.323 -37.031 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.881 -28.711 -33.921 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.490 -30.196 -34.659 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.615 -29.255 -37.932 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.341 -30.499 -36.909 1.00 0.00 H new ATOM 738 N GLU A 72 -6.890 -22.271 -38.615 1.00 0.00 N ATOM 739 CA GLU A 72 -6.385 -21.581 -39.821 1.00 0.00 C ATOM 740 C GLU A 72 -6.687 -20.068 -39.762 1.00 0.00 C ATOM 741 O GLU A 72 -5.866 -19.250 -40.203 1.00 0.00 O ATOM 742 CB GLU A 72 -6.977 -22.217 -41.102 1.00 0.00 C ATOM 743 CG GLU A 72 -8.515 -22.247 -41.150 1.00 0.00 C ATOM 744 CD GLU A 72 -9.107 -22.851 -42.427 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.544 -23.829 -42.965 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.165 -22.375 -42.883 1.00 0.00 O ATOM 0 H GLU A 72 -7.815 -22.684 -38.732 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.302 -21.701 -39.852 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.610 -21.666 -41.968 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.604 -23.237 -41.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.880 -22.814 -40.294 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.888 -21.229 -41.040 1.00 0.00 H new ATOM 753 N ALA A 73 -7.863 -19.708 -39.202 1.00 0.00 N ATOM 754 CA ALA A 73 -8.292 -18.299 -39.059 1.00 0.00 C ATOM 755 C ALA A 73 -7.434 -17.568 -38.021 1.00 0.00 C ATOM 756 O ALA A 73 -7.124 -16.377 -38.177 1.00 0.00 O ATOM 757 CB ALA A 73 -9.773 -18.214 -38.664 1.00 0.00 C ATOM 0 H ALA A 73 -8.538 -20.381 -38.839 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.159 -17.815 -40.026 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.064 -17.168 -38.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.382 -18.689 -39.433 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.926 -18.724 -37.713 1.00 0.00 H new ATOM 763 N ILE A 74 -7.068 -18.296 -36.952 1.00 0.00 N ATOM 764 CA ILE A 74 -6.263 -17.763 -35.845 1.00 0.00 C ATOM 765 C ILE A 74 -4.985 -18.617 -35.704 1.00 0.00 C ATOM 766 O ILE A 74 -5.052 -19.721 -35.147 1.00 0.00 O ATOM 767 CB ILE A 74 -7.058 -17.781 -34.484 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.498 -17.210 -34.667 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.287 -17.020 -33.369 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.367 -17.278 -33.430 1.00 0.00 C ATOM 0 H ILE A 74 -7.325 -19.276 -36.833 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.012 -16.726 -36.070 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.150 -18.820 -34.168 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.424 -16.170 -34.986 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.991 -17.756 -35.471 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.862 -17.051 -32.443 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.317 -17.492 -33.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.141 -15.983 -33.671 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.349 -16.859 -33.651 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.477 -18.317 -33.120 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.902 -16.707 -32.627 1.00 0.00 H new ATOM 782 N PRO A 75 -3.814 -18.147 -36.241 1.00 0.00 N ATOM 783 CA PRO A 75 -2.516 -18.808 -36.003 1.00 0.00 C ATOM 784 C PRO A 75 -2.075 -18.618 -34.534 1.00 0.00 C ATOM 785 O PRO A 75 -1.353 -17.671 -34.195 1.00 0.00 O ATOM 786 CB PRO A 75 -1.564 -18.125 -37.022 1.00 0.00 C ATOM 787 CG PRO A 75 -2.178 -16.780 -37.281 1.00 0.00 C ATOM 788 CD PRO A 75 -3.677 -16.963 -37.132 1.00 0.00 C ATOM 0 HA PRO A 75 -2.536 -19.888 -36.145 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.556 -18.028 -36.618 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.485 -18.707 -37.940 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.804 -16.039 -36.574 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.927 -16.423 -38.280 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.144 -16.080 -36.696 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.155 -17.133 -38.097 1.00 0.00 H new ATOM 796 N GLY A 76 -2.569 -19.509 -33.669 1.00 0.00 N ATOM 797 CA GLY A 76 -2.375 -19.412 -32.221 1.00 0.00 C ATOM 798 C GLY A 76 -3.705 -19.364 -31.484 1.00 0.00 C ATOM 799 O GLY A 76 -3.845 -18.641 -30.486 1.00 0.00 O ATOM 0 H GLY A 76 -3.117 -20.320 -33.956 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.795 -20.266 -31.872 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.796 -18.518 -31.989 1.00 0.00 H new ATOM 803 N VAL A 77 -4.691 -20.138 -31.979 1.00 0.00 N ATOM 804 CA VAL A 77 -6.012 -20.246 -31.334 1.00 0.00 C ATOM 805 C VAL A 77 -5.885 -21.048 -30.032 1.00 0.00 C ATOM 806 O VAL A 77 -5.116 -22.008 -29.966 1.00 0.00 O ATOM 807 CB VAL A 77 -7.090 -20.902 -32.275 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.719 -22.348 -32.666 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.506 -20.841 -31.645 1.00 0.00 C ATOM 0 H VAL A 77 -4.596 -20.698 -32.826 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.355 -19.235 -31.116 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.105 -20.314 -33.193 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.492 -22.759 -33.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.765 -22.349 -33.192 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.638 -22.959 -31.767 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.225 -21.303 -32.321 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.505 -21.376 -30.696 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.784 -19.801 -31.475 1.00 0.00 H new ATOM 819 N ARG A 78 -6.619 -20.617 -28.999 1.00 0.00 N ATOM 820 CA ARG A 78 -6.646 -21.278 -27.681 1.00 0.00 C ATOM 821 C ARG A 78 -8.076 -21.331 -27.118 1.00 0.00 C ATOM 822 O ARG A 78 -8.303 -21.782 -25.992 1.00 0.00 O ATOM 823 CB ARG A 78 -5.606 -20.625 -26.704 1.00 0.00 C ATOM 824 CG ARG A 78 -5.201 -19.163 -27.011 1.00 0.00 C ATOM 825 CD ARG A 78 -6.302 -18.136 -26.734 1.00 0.00 C ATOM 826 NE ARG A 78 -6.520 -17.954 -25.288 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.009 -16.851 -24.704 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.355 -15.797 -25.417 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.129 -16.806 -23.395 1.00 0.00 N ATOM 0 H ARG A 78 -7.217 -19.793 -29.051 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.335 -22.316 -27.800 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.015 -20.662 -25.694 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.704 -21.237 -26.705 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.324 -18.908 -26.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.908 -19.091 -28.058 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.032 -17.181 -27.185 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.230 -18.460 -27.205 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.278 -18.735 -24.679 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.252 -15.812 -26.432 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.725 -14.967 -24.954 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.851 -17.608 -22.829 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.500 -15.969 -22.945 1.00 0.00 H new ATOM 843 N LEU A 79 -9.050 -20.931 -27.950 1.00 0.00 N ATOM 844 CA LEU A 79 -10.476 -20.870 -27.578 1.00 0.00 C ATOM 845 C LEU A 79 -11.323 -21.582 -28.642 1.00 0.00 C ATOM 846 O LEU A 79 -11.178 -21.299 -29.838 1.00 0.00 O ATOM 847 CB LEU A 79 -10.924 -19.393 -27.468 1.00 0.00 C ATOM 848 CG LEU A 79 -10.118 -18.515 -26.479 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.421 -17.024 -26.680 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.367 -18.944 -25.028 1.00 0.00 C ATOM 0 H LEU A 79 -8.870 -20.637 -28.910 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.614 -21.364 -26.616 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.864 -18.940 -28.458 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.973 -19.372 -27.171 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.060 -18.665 -26.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.839 -16.436 -25.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.156 -16.733 -27.696 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.483 -16.843 -26.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.788 -18.310 -24.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.427 -18.845 -24.796 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.063 -19.983 -24.898 1.00 0.00 H new ATOM 862 N CYS A 80 -12.189 -22.525 -28.211 1.00 0.00 N ATOM 863 CA CYS A 80 -13.137 -23.218 -29.119 1.00 0.00 C ATOM 864 C CYS A 80 -14.164 -22.204 -29.610 1.00 0.00 C ATOM 865 O CYS A 80 -14.397 -21.232 -28.904 1.00 0.00 O ATOM 866 CB CYS A 80 -13.837 -24.395 -28.403 1.00 0.00 C ATOM 867 SG CYS A 80 -15.113 -23.894 -27.209 1.00 0.00 S ATOM 0 H CYS A 80 -12.253 -22.826 -27.239 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.589 -23.634 -29.964 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.292 -25.042 -29.153 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.084 -24.989 -27.884 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.964 -24.567 -26.107 1.00 0.00 H new ATOM 872 N ILE A 81 -14.813 -22.463 -30.764 1.00 0.00 N ATOM 873 CA ILE A 81 -15.676 -21.474 -31.469 1.00 0.00 C ATOM 874 C ILE A 81 -16.749 -20.821 -30.540 1.00 0.00 C ATOM 875 O ILE A 81 -17.128 -19.659 -30.730 1.00 0.00 O ATOM 876 CB ILE A 81 -16.356 -22.152 -32.724 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.244 -21.139 -33.526 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.155 -23.422 -32.321 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.963 -21.719 -34.735 1.00 0.00 C ATOM 0 H ILE A 81 -14.758 -23.364 -31.240 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.028 -20.661 -31.798 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.555 -22.469 -33.392 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.988 -20.718 -32.849 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.614 -20.314 -33.860 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.609 -23.863 -33.208 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.481 -24.145 -31.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.936 -23.150 -31.610 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.549 -20.938 -35.219 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.230 -22.113 -35.440 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.625 -22.523 -34.413 1.00 0.00 H new ATOM 891 N HIS A 82 -17.150 -21.560 -29.496 1.00 0.00 N ATOM 892 CA HIS A 82 -18.154 -21.122 -28.504 1.00 0.00 C ATOM 893 C HIS A 82 -17.549 -20.076 -27.524 1.00 0.00 C ATOM 894 O HIS A 82 -18.131 -19.010 -27.305 1.00 0.00 O ATOM 895 CB HIS A 82 -18.714 -22.354 -27.727 1.00 0.00 C ATOM 896 CG HIS A 82 -19.027 -23.547 -28.590 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.221 -23.721 -29.242 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.270 -24.625 -28.910 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.188 -24.848 -29.921 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.015 -25.421 -29.734 1.00 0.00 N ATOM 0 H HIS A 82 -16.783 -22.493 -29.310 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.977 -20.642 -29.034 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.989 -22.650 -26.969 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.620 -22.054 -27.201 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.262 -24.819 -28.575 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.989 -25.239 -30.531 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.714 -26.309 -30.137 1.00 0.00 H new ATOM 909 N CYS A 83 -16.360 -20.381 -26.954 1.00 0.00 N ATOM 910 CA CYS A 83 -15.635 -19.444 -26.061 1.00 0.00 C ATOM 911 C CYS A 83 -14.898 -18.368 -26.884 1.00 0.00 C ATOM 912 O CYS A 83 -14.484 -17.352 -26.334 1.00 0.00 O ATOM 913 CB CYS A 83 -14.608 -20.183 -25.170 1.00 0.00 C ATOM 914 SG CYS A 83 -15.255 -21.595 -24.224 1.00 0.00 S ATOM 0 H CYS A 83 -15.881 -21.270 -27.096 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.381 -18.974 -25.421 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.794 -20.536 -25.803 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.180 -19.466 -24.470 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.344 -22.633 -25.001 1.00 0.00 H new ATOM 919 N GLN A 84 -14.701 -18.615 -28.193 1.00 0.00 N ATOM 920 CA GLN A 84 -13.928 -17.708 -29.050 1.00 0.00 C ATOM 921 C GLN A 84 -14.806 -16.528 -29.477 1.00 0.00 C ATOM 922 O GLN A 84 -14.371 -15.396 -29.376 1.00 0.00 O ATOM 923 CB GLN A 84 -13.343 -18.450 -30.301 1.00 0.00 C ATOM 924 CG GLN A 84 -11.964 -17.943 -30.793 1.00 0.00 C ATOM 925 CD GLN A 84 -11.882 -16.427 -31.011 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.190 -15.926 -32.086 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.447 -15.689 -29.993 1.00 0.00 N ATOM 0 H GLN A 84 -15.068 -19.435 -28.676 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.081 -17.334 -28.475 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.258 -19.511 -30.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.056 -18.362 -31.120 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.205 -18.234 -30.067 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.720 -18.445 -31.729 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.198 -16.135 -29.110 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.363 -14.678 -30.096 1.00 0.00 H new