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 149:sc= -0.0737 USER MOD Set 1.2: A 62 CYS SG : rot -44:sc= -1.04 USER MOD Set 1.3: A 80 CYS SG : rot -128:sc= 0.102 USER MOD Set 1.4: A 83 CYS SG : rot 83:sc= -0.0134 USER MOD Single : A 38 THR OG1 : rot 24:sc= 0.0747 USER MOD Single : A 55 SER OG : rot -25:sc= 0.717 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0253 F(o=-0.89,f=-0.025) USER MOD Single : A 82 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.0019) USER MOD Single : A 84 GLN : amide:sc= -1.78 K(o=-1.8,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 3.228 -39.034 -32.481 1.00 0.00 N ATOM 235 CA THR A 38 2.683 -39.750 -31.307 1.00 0.00 C ATOM 236 C THR A 38 3.415 -39.309 -30.029 1.00 0.00 C ATOM 237 O THR A 38 2.794 -39.135 -28.972 1.00 0.00 O ATOM 238 CB THR A 38 2.806 -41.300 -31.474 1.00 0.00 C ATOM 239 OG1 THR A 38 2.156 -41.714 -32.684 1.00 0.00 O ATOM 240 CG2 THR A 38 2.214 -42.070 -30.281 1.00 0.00 C ATOM 0 HA THR A 38 1.626 -39.498 -31.228 1.00 0.00 H new ATOM 0 HB THR A 38 3.870 -41.534 -31.519 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.119 -40.961 -33.310 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.325 -43.141 -30.448 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.740 -41.788 -29.369 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.156 -41.827 -30.180 1.00 0.00 H new ATOM 248 N ILE A 39 4.741 -39.112 -30.161 1.00 0.00 N ATOM 249 CA ILE A 39 5.620 -38.713 -29.046 1.00 0.00 C ATOM 250 C ILE A 39 5.179 -37.359 -28.480 1.00 0.00 C ATOM 251 O ILE A 39 5.007 -37.190 -27.266 1.00 0.00 O ATOM 252 CB ILE A 39 7.125 -38.590 -29.508 1.00 0.00 C ATOM 253 CG1 ILE A 39 7.588 -39.859 -30.286 1.00 0.00 C ATOM 254 CG2 ILE A 39 8.061 -38.293 -28.300 1.00 0.00 C ATOM 255 CD1 ILE A 39 7.432 -41.160 -29.533 1.00 0.00 C ATOM 0 H ILE A 39 5.234 -39.226 -31.047 1.00 0.00 H new ATOM 0 HA ILE A 39 5.542 -39.488 -28.284 1.00 0.00 H new ATOM 0 HB ILE A 39 7.191 -37.745 -30.194 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.022 -39.924 -31.215 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.636 -39.738 -30.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.091 -38.214 -28.648 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.763 -37.355 -27.831 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.985 -39.102 -27.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.780 -41.984 -30.155 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.021 -41.123 -28.617 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.382 -41.312 -29.283 1.00 0.00 H new ATOM 267 N GLU A 40 4.972 -36.413 -29.406 1.00 0.00 N ATOM 268 CA GLU A 40 4.664 -35.026 -29.066 1.00 0.00 C ATOM 269 C GLU A 40 3.232 -34.919 -28.515 1.00 0.00 C ATOM 270 O GLU A 40 3.003 -34.232 -27.529 1.00 0.00 O ATOM 271 CB GLU A 40 4.873 -34.088 -30.289 1.00 0.00 C ATOM 272 CG GLU A 40 3.875 -34.275 -31.454 1.00 0.00 C ATOM 273 CD GLU A 40 3.968 -33.195 -32.542 1.00 0.00 C ATOM 274 OE1 GLU A 40 3.541 -32.048 -32.289 1.00 0.00 O ATOM 275 OE2 GLU A 40 4.454 -33.482 -33.656 1.00 0.00 O ATOM 0 H GLU A 40 5.014 -36.592 -30.409 1.00 0.00 H new ATOM 0 HA GLU A 40 5.354 -34.700 -28.288 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.814 -33.055 -29.946 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.882 -34.239 -30.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.045 -35.250 -31.910 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.862 -34.284 -31.052 1.00 0.00 H new ATOM 282 N ASP A 41 2.299 -35.658 -29.149 1.00 0.00 N ATOM 283 CA ASP A 41 0.859 -35.620 -28.824 1.00 0.00 C ATOM 284 C ASP A 41 0.590 -36.169 -27.424 1.00 0.00 C ATOM 285 O ASP A 41 0.001 -35.481 -26.596 1.00 0.00 O ATOM 286 CB ASP A 41 0.041 -36.420 -29.875 1.00 0.00 C ATOM 287 CG ASP A 41 -1.457 -36.599 -29.522 1.00 0.00 C ATOM 288 OD1 ASP A 41 -2.230 -35.630 -29.655 1.00 0.00 O ATOM 289 OD2 ASP A 41 -1.867 -37.721 -29.130 1.00 0.00 O ATOM 0 H ASP A 41 2.526 -36.303 -29.906 1.00 0.00 H new ATOM 0 HA ASP A 41 0.543 -34.577 -28.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.117 -35.914 -30.837 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.493 -37.404 -29.996 1.00 0.00 H new ATOM 294 N ALA A 42 1.051 -37.404 -27.180 1.00 0.00 N ATOM 295 CA ALA A 42 0.799 -38.138 -25.922 1.00 0.00 C ATOM 296 C ALA A 42 1.280 -37.352 -24.684 1.00 0.00 C ATOM 297 O ALA A 42 0.637 -37.385 -23.632 1.00 0.00 O ATOM 298 CB ALA A 42 1.462 -39.522 -25.977 1.00 0.00 C ATOM 0 H ALA A 42 1.613 -37.929 -27.851 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.279 -38.261 -25.822 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.270 -40.055 -25.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.050 -40.090 -26.811 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.537 -39.405 -26.114 1.00 0.00 H new ATOM 304 N ILE A 43 2.405 -36.634 -24.839 1.00 0.00 N ATOM 305 CA ILE A 43 2.991 -35.820 -23.758 1.00 0.00 C ATOM 306 C ILE A 43 2.335 -34.408 -23.702 1.00 0.00 C ATOM 307 O ILE A 43 2.217 -33.812 -22.622 1.00 0.00 O ATOM 308 CB ILE A 43 4.556 -35.707 -23.935 1.00 0.00 C ATOM 309 CG1 ILE A 43 5.215 -37.122 -24.047 1.00 0.00 C ATOM 310 CG2 ILE A 43 5.209 -34.903 -22.787 1.00 0.00 C ATOM 311 CD1 ILE A 43 5.075 -38.003 -22.809 1.00 0.00 C ATOM 0 H ILE A 43 2.932 -36.601 -25.712 1.00 0.00 H new ATOM 0 HA ILE A 43 2.789 -36.319 -22.810 1.00 0.00 H new ATOM 0 HB ILE A 43 4.731 -35.166 -24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.775 -37.644 -24.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.275 -36.995 -24.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.286 -34.849 -22.947 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.794 -33.895 -22.767 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.008 -35.397 -21.836 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.564 -38.961 -22.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.542 -37.510 -21.957 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.019 -38.169 -22.598 1.00 0.00 H new ATOM 323 N ALA A 44 1.893 -33.889 -24.869 1.00 0.00 N ATOM 324 CA ALA A 44 1.267 -32.544 -24.969 1.00 0.00 C ATOM 325 C ALA A 44 -0.138 -32.525 -24.356 1.00 0.00 C ATOM 326 O ALA A 44 -0.536 -31.542 -23.728 1.00 0.00 O ATOM 327 CB ALA A 44 1.226 -32.051 -26.423 1.00 0.00 C ATOM 0 H ALA A 44 1.957 -34.381 -25.760 1.00 0.00 H new ATOM 0 HA ALA A 44 1.892 -31.860 -24.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.762 -31.065 -26.460 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.241 -31.989 -26.815 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.645 -32.748 -27.027 1.00 0.00 H new ATOM 333 N ARG A 45 -0.881 -33.617 -24.549 1.00 0.00 N ATOM 334 CA ARG A 45 -2.250 -33.763 -24.020 1.00 0.00 C ATOM 335 C ARG A 45 -2.222 -34.249 -22.553 1.00 0.00 C ATOM 336 O ARG A 45 -3.237 -34.181 -21.848 1.00 0.00 O ATOM 337 CB ARG A 45 -3.062 -34.723 -24.924 1.00 0.00 C ATOM 338 CG ARG A 45 -2.601 -36.201 -24.894 1.00 0.00 C ATOM 339 CD ARG A 45 -3.396 -37.093 -25.863 1.00 0.00 C ATOM 340 NE ARG A 45 -4.844 -37.035 -25.596 1.00 0.00 N ATOM 341 CZ ARG A 45 -5.741 -37.956 -25.959 1.00 0.00 C ATOM 342 NH1 ARG A 45 -5.375 -39.065 -26.584 1.00 0.00 N ATOM 343 NH2 ARG A 45 -7.013 -37.754 -25.694 1.00 0.00 N ATOM 0 H ARG A 45 -0.556 -34.428 -25.075 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.741 -32.790 -24.028 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.109 -34.679 -24.626 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.008 -34.363 -25.951 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.542 -36.252 -25.147 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.706 -36.589 -23.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.202 -36.779 -26.889 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.051 -38.123 -25.775 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.192 -36.221 -25.090 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.391 -39.229 -26.797 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.077 -39.755 -26.852 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.305 -36.901 -25.216 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.707 -38.450 -25.966 1.00 0.00 H new ATOM 357 N ALA A 46 -1.045 -34.733 -22.106 1.00 0.00 N ATOM 358 CA ALA A 46 -0.833 -35.179 -20.719 1.00 0.00 C ATOM 359 C ALA A 46 -0.481 -33.988 -19.807 1.00 0.00 C ATOM 360 O ALA A 46 -1.188 -33.713 -18.828 1.00 0.00 O ATOM 361 CB ALA A 46 0.279 -36.241 -20.664 1.00 0.00 C ATOM 0 H ALA A 46 -0.219 -34.824 -22.697 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.761 -35.622 -20.358 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.425 -36.562 -19.633 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.006 -37.098 -21.274 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.207 -35.816 -21.047 1.00 0.00 H new ATOM 367 N ARG A 47 0.608 -33.268 -20.156 1.00 0.00 N ATOM 368 CA ARG A 47 1.203 -32.228 -19.282 1.00 0.00 C ATOM 369 C ARG A 47 1.547 -30.934 -20.046 1.00 0.00 C ATOM 370 O ARG A 47 1.958 -29.946 -19.431 1.00 0.00 O ATOM 371 CB ARG A 47 2.456 -32.824 -18.567 1.00 0.00 C ATOM 372 CG ARG A 47 3.653 -33.245 -19.481 1.00 0.00 C ATOM 373 CD ARG A 47 4.662 -32.106 -19.730 1.00 0.00 C ATOM 374 NE ARG A 47 5.810 -32.534 -20.549 1.00 0.00 N ATOM 375 CZ ARG A 47 7.037 -32.831 -20.078 1.00 0.00 C ATOM 376 NH1 ARG A 47 7.299 -32.785 -18.772 1.00 0.00 N ATOM 377 NH2 ARG A 47 7.999 -33.172 -20.921 1.00 0.00 N ATOM 0 H ARG A 47 1.097 -33.388 -21.043 1.00 0.00 H new ATOM 0 HA ARG A 47 0.461 -31.939 -18.538 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.819 -32.089 -17.848 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.139 -33.698 -17.998 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.172 -34.087 -19.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.265 -33.593 -20.438 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.155 -31.279 -20.226 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.023 -31.730 -18.773 1.00 0.00 H new ATOM 0 HE ARG A 47 5.664 -32.612 -21.555 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.566 -32.522 -18.114 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.233 -33.013 -18.431 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.810 -33.209 -21.923 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.929 -33.398 -20.569 1.00 0.00 H new ATOM 391 N GLY A 48 1.375 -30.940 -21.374 1.00 0.00 N ATOM 392 CA GLY A 48 1.789 -29.811 -22.213 1.00 0.00 C ATOM 393 C GLY A 48 3.271 -29.892 -22.591 1.00 0.00 C ATOM 394 O GLY A 48 4.143 -29.596 -21.771 1.00 0.00 O ATOM 0 H GLY A 48 0.953 -31.713 -21.889 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.184 -29.792 -23.119 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.600 -28.877 -21.684 1.00 0.00 H new ATOM 398 N GLU A 49 3.547 -30.288 -23.840 1.00 0.00 N ATOM 399 CA GLU A 49 4.908 -30.509 -24.367 1.00 0.00 C ATOM 400 C GLU A 49 5.177 -29.470 -25.448 1.00 0.00 C ATOM 401 O GLU A 49 6.203 -28.778 -25.441 1.00 0.00 O ATOM 402 CB GLU A 49 5.024 -31.948 -24.952 1.00 0.00 C ATOM 403 CG GLU A 49 6.360 -32.290 -25.652 1.00 0.00 C ATOM 404 CD GLU A 49 7.606 -32.112 -24.754 1.00 0.00 C ATOM 405 OE1 GLU A 49 7.822 -32.943 -23.844 1.00 0.00 O ATOM 406 OE2 GLU A 49 8.366 -31.138 -24.956 1.00 0.00 O ATOM 0 H GLU A 49 2.818 -30.469 -24.530 1.00 0.00 H new ATOM 0 HA GLU A 49 5.643 -30.408 -23.569 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.868 -32.661 -24.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.214 -32.094 -25.667 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.321 -33.322 -26.001 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.468 -31.659 -26.534 1.00 0.00 H new ATOM 413 N ILE A 50 4.221 -29.388 -26.383 1.00 0.00 N ATOM 414 CA ILE A 50 4.241 -28.411 -27.470 1.00 0.00 C ATOM 415 C ILE A 50 3.850 -27.018 -26.930 1.00 0.00 C ATOM 416 O ILE A 50 2.797 -26.887 -26.297 1.00 0.00 O ATOM 417 CB ILE A 50 3.279 -28.839 -28.640 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.699 -30.237 -29.204 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.226 -27.767 -29.769 1.00 0.00 C ATOM 420 CD1 ILE A 50 5.143 -30.334 -29.691 1.00 0.00 C ATOM 0 H ILE A 50 3.408 -30.004 -26.403 1.00 0.00 H new ATOM 0 HA ILE A 50 5.253 -28.367 -27.873 1.00 0.00 H new ATOM 0 HB ILE A 50 2.271 -28.919 -28.233 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.543 -30.986 -28.428 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.036 -30.492 -30.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.551 -28.101 -30.557 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.866 -26.824 -29.358 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.224 -27.625 -30.183 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.335 -31.341 -30.062 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.306 -29.614 -30.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.821 -30.116 -28.866 1.00 0.00 H new ATOM 492 N SER A 55 -1.671 -24.023 -33.230 1.00 0.00 N ATOM 493 CA SER A 55 -2.986 -24.274 -32.641 1.00 0.00 C ATOM 494 C SER A 55 -2.934 -25.522 -31.728 1.00 0.00 C ATOM 495 O SER A 55 -2.419 -26.570 -32.141 1.00 0.00 O ATOM 496 CB SER A 55 -4.004 -24.466 -33.782 1.00 0.00 C ATOM 497 OG SER A 55 -3.602 -25.497 -34.684 1.00 0.00 O ATOM 0 HA SER A 55 -3.289 -23.428 -32.025 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.979 -24.711 -33.361 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.119 -23.530 -34.328 1.00 0.00 H new ATOM 0 HG SER A 55 -2.628 -25.600 -34.650 1.00 0.00 H new ATOM 503 N LEU A 56 -3.468 -25.393 -30.502 1.00 0.00 N ATOM 504 CA LEU A 56 -3.379 -26.451 -29.455 1.00 0.00 C ATOM 505 C LEU A 56 -4.372 -27.618 -29.691 1.00 0.00 C ATOM 506 O LEU A 56 -4.159 -28.716 -29.167 1.00 0.00 O ATOM 507 CB LEU A 56 -3.553 -25.849 -28.012 1.00 0.00 C ATOM 508 CG LEU A 56 -4.507 -24.611 -27.845 1.00 0.00 C ATOM 509 CD1 LEU A 56 -5.921 -24.876 -28.383 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.560 -24.124 -26.383 1.00 0.00 C ATOM 0 H LEU A 56 -3.973 -24.560 -30.200 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.376 -26.871 -29.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.917 -26.643 -27.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.566 -25.563 -27.647 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.077 -23.815 -28.453 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.536 -23.988 -28.242 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.867 -25.115 -29.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.364 -25.714 -27.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.230 -23.267 -26.309 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.927 -24.928 -25.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.561 -23.832 -26.060 1.00 0.00 H new ATOM 522 N ASP A 57 -5.481 -27.323 -30.405 1.00 0.00 N ATOM 523 CA ASP A 57 -6.550 -28.298 -30.766 1.00 0.00 C ATOM 524 C ASP A 57 -7.468 -28.675 -29.547 1.00 0.00 C ATOM 525 O ASP A 57 -8.484 -29.362 -29.697 1.00 0.00 O ATOM 526 CB ASP A 57 -5.956 -29.556 -31.475 1.00 0.00 C ATOM 527 CG ASP A 57 -7.017 -30.542 -31.998 1.00 0.00 C ATOM 528 OD1 ASP A 57 -7.860 -30.132 -32.831 1.00 0.00 O ATOM 529 OD2 ASP A 57 -7.018 -31.726 -31.583 1.00 0.00 O ATOM 0 H ASP A 57 -5.668 -26.384 -30.756 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.203 -27.800 -31.483 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.335 -29.230 -32.310 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.302 -30.079 -30.777 1.00 0.00 H new ATOM 534 N GLU A 58 -7.159 -28.108 -28.362 1.00 0.00 N ATOM 535 CA GLU A 58 -7.904 -28.329 -27.090 1.00 0.00 C ATOM 536 C GLU A 58 -8.045 -26.992 -26.330 1.00 0.00 C ATOM 537 O GLU A 58 -7.063 -26.447 -25.828 1.00 0.00 O ATOM 538 CB GLU A 58 -7.231 -29.411 -26.188 1.00 0.00 C ATOM 539 CG GLU A 58 -7.419 -30.850 -26.699 1.00 0.00 C ATOM 540 CD GLU A 58 -6.821 -31.926 -25.768 1.00 0.00 C ATOM 541 OE1 GLU A 58 -7.525 -32.366 -24.832 1.00 0.00 O ATOM 542 OE2 GLU A 58 -5.668 -32.350 -25.975 1.00 0.00 O ATOM 0 H GLU A 58 -6.370 -27.470 -28.253 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.894 -28.707 -27.345 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.165 -29.198 -26.115 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.641 -29.337 -25.181 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.484 -31.044 -26.826 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.959 -30.939 -27.683 1.00 0.00 H new ATOM 549 N CYS A 59 -9.289 -26.467 -26.314 1.00 0.00 N ATOM 550 CA CYS A 59 -9.679 -25.169 -25.694 1.00 0.00 C ATOM 551 C CYS A 59 -9.129 -24.982 -24.270 1.00 0.00 C ATOM 552 O CYS A 59 -9.277 -25.863 -23.439 1.00 0.00 O ATOM 553 CB CYS A 59 -11.220 -25.103 -25.688 1.00 0.00 C ATOM 554 SG CYS A 59 -11.959 -23.602 -24.980 1.00 0.00 S ATOM 0 H CYS A 59 -10.080 -26.946 -26.745 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.244 -24.361 -26.282 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.571 -25.205 -26.715 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.597 -25.963 -25.135 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.081 -23.345 -25.584 1.00 0.00 H new ATOM 559 N GLU A 60 -8.515 -23.816 -23.996 1.00 0.00 N ATOM 560 CA GLU A 60 -7.945 -23.506 -22.663 1.00 0.00 C ATOM 561 C GLU A 60 -9.063 -23.326 -21.605 1.00 0.00 C ATOM 562 O GLU A 60 -8.840 -23.516 -20.411 1.00 0.00 O ATOM 563 CB GLU A 60 -7.075 -22.222 -22.738 1.00 0.00 C ATOM 564 CG GLU A 60 -7.832 -20.976 -23.258 1.00 0.00 C ATOM 565 CD GLU A 60 -7.117 -19.648 -22.976 1.00 0.00 C ATOM 566 OE1 GLU A 60 -6.028 -19.421 -23.528 1.00 0.00 O ATOM 567 OE2 GLU A 60 -7.652 -18.823 -22.213 1.00 0.00 O ATOM 0 H GLU A 60 -8.399 -23.068 -24.680 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.320 -24.346 -22.360 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.679 -22.006 -21.746 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.221 -22.412 -23.388 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.980 -21.076 -24.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.821 -20.948 -22.802 1.00 0.00 H new ATOM 574 N GLU A 61 -10.268 -22.986 -22.089 1.00 0.00 N ATOM 575 CA GLU A 61 -11.416 -22.598 -21.248 1.00 0.00 C ATOM 576 C GLU A 61 -12.157 -23.831 -20.739 1.00 0.00 C ATOM 577 O GLU A 61 -12.382 -23.997 -19.541 1.00 0.00 O ATOM 578 CB GLU A 61 -12.398 -21.750 -22.088 1.00 0.00 C ATOM 579 CG GLU A 61 -11.751 -20.560 -22.814 1.00 0.00 C ATOM 580 CD GLU A 61 -11.821 -19.208 -22.071 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.307 -19.099 -20.940 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.406 -18.254 -22.627 1.00 0.00 O ATOM 0 H GLU A 61 -10.477 -22.972 -23.087 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.042 -22.028 -20.397 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.875 -22.394 -22.826 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.186 -21.376 -21.435 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.704 -20.797 -23.002 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.231 -20.446 -23.786 1.00 0.00 H new ATOM 589 N CYS A 62 -12.541 -24.692 -21.696 1.00 0.00 N ATOM 590 CA CYS A 62 -13.467 -25.803 -21.431 1.00 0.00 C ATOM 591 C CYS A 62 -13.004 -27.119 -22.090 1.00 0.00 C ATOM 592 O CYS A 62 -13.779 -28.072 -22.179 1.00 0.00 O ATOM 593 CB CYS A 62 -14.889 -25.396 -21.903 1.00 0.00 C ATOM 594 SG CYS A 62 -15.150 -25.371 -23.714 1.00 0.00 S ATOM 0 H CYS A 62 -12.222 -24.638 -22.663 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.483 -25.997 -20.359 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.609 -26.084 -21.461 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.112 -24.405 -21.509 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.138 -24.793 -24.290 1.00 0.00 H new ATOM 599 N GLY A 63 -11.719 -27.159 -22.531 1.00 0.00 N ATOM 600 CA GLY A 63 -11.103 -28.338 -23.192 1.00 0.00 C ATOM 601 C GLY A 63 -11.887 -28.901 -24.373 1.00 0.00 C ATOM 602 O GLY A 63 -11.731 -30.065 -24.733 1.00 0.00 O ATOM 0 H GLY A 63 -11.079 -26.370 -22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.106 -28.062 -23.536 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.978 -29.127 -22.450 1.00 0.00 H new ATOM 606 N ALA A 64 -12.727 -28.055 -24.979 1.00 0.00 N ATOM 607 CA ALA A 64 -13.565 -28.433 -26.125 1.00 0.00 C ATOM 608 C ALA A 64 -12.712 -28.561 -27.400 1.00 0.00 C ATOM 609 O ALA A 64 -11.705 -27.842 -27.527 1.00 0.00 O ATOM 610 CB ALA A 64 -14.673 -27.396 -26.325 1.00 0.00 C ATOM 0 H ALA A 64 -12.846 -27.085 -24.688 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.021 -29.402 -25.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.290 -27.683 -27.176 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.291 -27.347 -25.429 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.227 -26.419 -26.513 1.00 0.00 H new ATOM 616 N PRO A 65 -13.096 -29.467 -28.360 1.00 0.00 N ATOM 617 CA PRO A 65 -12.373 -29.630 -29.637 1.00 0.00 C ATOM 618 C PRO A 65 -12.313 -28.301 -30.422 1.00 0.00 C ATOM 619 O PRO A 65 -13.352 -27.741 -30.797 1.00 0.00 O ATOM 620 CB PRO A 65 -13.179 -30.727 -30.395 1.00 0.00 C ATOM 621 CG PRO A 65 -14.516 -30.756 -29.723 1.00 0.00 C ATOM 622 CD PRO A 65 -14.249 -30.408 -28.275 1.00 0.00 C ATOM 0 HA PRO A 65 -11.331 -29.917 -29.497 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.274 -30.487 -31.454 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.684 -31.696 -30.331 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.200 -30.040 -30.179 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.978 -31.739 -29.811 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.116 -29.942 -27.806 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.005 -31.292 -27.686 1.00 0.00 H new ATOM 630 N ILE A 66 -11.091 -27.765 -30.564 1.00 0.00 N ATOM 631 CA ILE A 66 -10.821 -26.578 -31.385 1.00 0.00 C ATOM 632 C ILE A 66 -10.950 -26.981 -32.871 1.00 0.00 C ATOM 633 O ILE A 66 -10.137 -27.783 -33.352 1.00 0.00 O ATOM 634 CB ILE A 66 -9.376 -26.013 -31.105 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.181 -25.673 -29.596 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.068 -24.791 -32.004 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.553 -24.282 -29.191 1.00 0.00 C ATOM 0 H ILE A 66 -10.260 -28.145 -30.110 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.537 -25.794 -31.137 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.661 -26.796 -31.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.771 -26.374 -29.005 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.135 -25.840 -29.337 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.065 -24.424 -31.788 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.129 -25.086 -33.052 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.794 -24.002 -31.806 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.378 -24.155 -28.123 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.946 -23.567 -29.746 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.607 -24.109 -29.409 1.00 0.00 H new ATOM 649 N PRO A 67 -11.978 -26.458 -33.614 1.00 0.00 N ATOM 650 CA PRO A 67 -12.192 -26.833 -35.022 1.00 0.00 C ATOM 651 C PRO A 67 -11.100 -26.231 -35.925 1.00 0.00 C ATOM 652 O PRO A 67 -10.557 -25.151 -35.624 1.00 0.00 O ATOM 653 CB PRO A 67 -13.600 -26.274 -35.340 1.00 0.00 C ATOM 654 CG PRO A 67 -13.791 -25.133 -34.393 1.00 0.00 C ATOM 655 CD PRO A 67 -12.978 -25.460 -33.154 1.00 0.00 C ATOM 0 HA PRO A 67 -12.133 -27.907 -35.197 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.667 -25.942 -36.376 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.367 -27.035 -35.199 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.456 -24.197 -34.841 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.845 -25.008 -34.144 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.494 -24.570 -32.751 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.608 -25.866 -32.362 1.00 0.00 H new ATOM 663 N GLN A 68 -10.801 -26.938 -37.032 1.00 0.00 N ATOM 664 CA GLN A 68 -9.715 -26.584 -37.966 1.00 0.00 C ATOM 665 C GLN A 68 -9.913 -25.186 -38.580 1.00 0.00 C ATOM 666 O GLN A 68 -8.958 -24.587 -39.072 1.00 0.00 O ATOM 667 CB GLN A 68 -9.578 -27.667 -39.084 1.00 0.00 C ATOM 668 CG GLN A 68 -10.784 -27.784 -40.070 1.00 0.00 C ATOM 669 CD GLN A 68 -10.537 -27.209 -41.481 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.661 -26.219 -41.614 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.123 -27.670 -42.457 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.311 -27.778 -37.305 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.789 -26.554 -37.392 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.680 -27.453 -39.663 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.427 -28.636 -38.608 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.054 -28.836 -40.166 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.642 -27.274 -39.632 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.793 -28.430 -42.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.940 -27.293 -43.387 1.00 0.00 H new ATOM 680 N ALA A 69 -11.164 -24.692 -38.531 1.00 0.00 N ATOM 681 CA ALA A 69 -11.543 -23.360 -39.018 1.00 0.00 C ATOM 682 C ALA A 69 -10.900 -22.265 -38.150 1.00 0.00 C ATOM 683 O ALA A 69 -10.343 -21.300 -38.669 1.00 0.00 O ATOM 684 CB ALA A 69 -13.072 -23.229 -39.036 1.00 0.00 C ATOM 0 H ALA A 69 -11.949 -25.218 -38.146 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.175 -23.233 -40.036 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.348 -22.239 -39.398 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.494 -23.987 -39.695 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.461 -23.368 -38.027 1.00 0.00 H new ATOM 690 N ARG A 70 -10.965 -22.447 -36.819 1.00 0.00 N ATOM 691 CA ARG A 70 -10.334 -21.522 -35.855 1.00 0.00 C ATOM 692 C ARG A 70 -8.808 -21.715 -35.858 1.00 0.00 C ATOM 693 O ARG A 70 -8.058 -20.765 -35.630 1.00 0.00 O ATOM 694 CB ARG A 70 -10.900 -21.718 -34.421 1.00 0.00 C ATOM 695 CG ARG A 70 -12.443 -21.680 -34.313 1.00 0.00 C ATOM 696 CD ARG A 70 -13.091 -20.454 -34.988 1.00 0.00 C ATOM 697 NE ARG A 70 -12.592 -19.167 -34.478 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.876 -17.969 -35.019 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.630 -17.852 -36.110 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.381 -16.882 -34.472 1.00 0.00 N ATOM 0 H ARG A 70 -11.451 -23.231 -36.383 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.567 -20.504 -36.166 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.548 -22.675 -34.036 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.487 -20.943 -33.775 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.850 -22.586 -34.762 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.723 -21.692 -33.260 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.911 -20.504 -36.062 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.170 -20.499 -34.843 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.988 -19.185 -33.656 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.010 -18.685 -36.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.828 -16.929 -36.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.788 -16.952 -33.645 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.590 -15.968 -34.874 1.00 0.00 H new ATOM 714 N ARG A 71 -8.375 -22.973 -36.106 1.00 0.00 N ATOM 715 CA ARG A 71 -6.947 -23.351 -36.163 1.00 0.00 C ATOM 716 C ARG A 71 -6.227 -22.675 -37.344 1.00 0.00 C ATOM 717 O ARG A 71 -5.051 -22.302 -37.230 1.00 0.00 O ATOM 718 CB ARG A 71 -6.786 -24.900 -36.250 1.00 0.00 C ATOM 719 CG ARG A 71 -7.332 -25.667 -35.024 1.00 0.00 C ATOM 720 CD ARG A 71 -7.093 -27.189 -35.089 1.00 0.00 C ATOM 721 NE ARG A 71 -5.658 -27.513 -35.152 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.127 -28.741 -35.109 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.884 -29.821 -34.997 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.817 -28.876 -35.148 1.00 0.00 N ATOM 0 H ARG A 71 -9.009 -23.755 -36.272 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.483 -23.000 -35.241 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.297 -25.257 -37.144 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.729 -25.137 -36.371 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.864 -25.273 -34.122 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.402 -25.479 -34.936 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.535 -27.664 -34.214 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.597 -27.600 -35.964 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.009 -26.730 -35.236 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.898 -29.729 -34.941 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.453 -30.745 -34.967 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.221 -28.051 -35.210 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.399 -29.806 -35.116 1.00 0.00 H new ATOM 738 N GLU A 72 -6.943 -22.522 -38.474 1.00 0.00 N ATOM 739 CA GLU A 72 -6.376 -21.923 -39.696 1.00 0.00 C ATOM 740 C GLU A 72 -6.500 -20.385 -39.659 1.00 0.00 C ATOM 741 O GLU A 72 -5.572 -19.673 -40.063 1.00 0.00 O ATOM 742 CB GLU A 72 -7.043 -22.511 -40.978 1.00 0.00 C ATOM 743 CG GLU A 72 -8.514 -22.100 -41.217 1.00 0.00 C ATOM 744 CD GLU A 72 -9.105 -22.657 -42.524 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.690 -22.204 -43.610 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.984 -23.540 -42.476 1.00 0.00 O ATOM 0 H GLU A 72 -7.918 -22.806 -38.565 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.316 -22.176 -39.733 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.455 -22.206 -41.844 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.993 -23.599 -40.925 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.119 -22.444 -40.379 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.581 -21.012 -41.233 1.00 0.00 H new ATOM 753 N ALA A 73 -7.649 -19.888 -39.150 1.00 0.00 N ATOM 754 CA ALA A 73 -7.966 -18.446 -39.111 1.00 0.00 C ATOM 755 C ALA A 73 -7.075 -17.716 -38.103 1.00 0.00 C ATOM 756 O ALA A 73 -6.597 -16.601 -38.365 1.00 0.00 O ATOM 757 CB ALA A 73 -9.447 -18.231 -38.770 1.00 0.00 C ATOM 0 H ALA A 73 -8.382 -20.477 -38.755 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.771 -18.030 -40.100 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.663 -17.163 -38.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.068 -18.710 -39.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.663 -18.667 -37.795 1.00 0.00 H new ATOM 763 N ILE A 74 -6.865 -18.360 -36.942 1.00 0.00 N ATOM 764 CA ILE A 74 -6.034 -17.821 -35.856 1.00 0.00 C ATOM 765 C ILE A 74 -4.828 -18.768 -35.641 1.00 0.00 C ATOM 766 O ILE A 74 -4.990 -19.835 -35.028 1.00 0.00 O ATOM 767 CB ILE A 74 -6.851 -17.664 -34.513 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.256 -17.031 -34.778 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.055 -16.829 -33.465 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.135 -16.900 -33.546 1.00 0.00 C ATOM 0 H ILE A 74 -7.269 -19.272 -36.731 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.690 -16.826 -36.139 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.004 -18.662 -34.101 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.117 -16.042 -35.216 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.779 -17.637 -35.518 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.642 -16.737 -32.551 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.112 -17.328 -33.242 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.854 -15.836 -33.868 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.088 -16.452 -33.825 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.310 -17.887 -33.117 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.638 -16.268 -32.810 1.00 0.00 H new ATOM 782 N PRO A 75 -3.614 -18.429 -36.188 1.00 0.00 N ATOM 783 CA PRO A 75 -2.380 -19.208 -35.935 1.00 0.00 C ATOM 784 C PRO A 75 -1.974 -19.117 -34.444 1.00 0.00 C ATOM 785 O PRO A 75 -1.596 -18.043 -33.956 1.00 0.00 O ATOM 786 CB PRO A 75 -1.336 -18.556 -36.876 1.00 0.00 C ATOM 787 CG PRO A 75 -1.846 -17.168 -37.123 1.00 0.00 C ATOM 788 CD PRO A 75 -3.355 -17.282 -37.107 1.00 0.00 C ATOM 0 HA PRO A 75 -2.489 -20.275 -36.131 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.348 -18.537 -36.416 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.243 -19.113 -37.808 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.496 -16.479 -36.354 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.492 -16.784 -38.080 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.822 -16.366 -36.745 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.753 -17.470 -38.104 1.00 0.00 H new ATOM 796 N GLY A 76 -2.093 -20.247 -33.733 1.00 0.00 N ATOM 797 CA GLY A 76 -1.873 -20.287 -32.285 1.00 0.00 C ATOM 798 C GLY A 76 -3.142 -19.957 -31.505 1.00 0.00 C ATOM 799 O GLY A 76 -3.094 -19.268 -30.476 1.00 0.00 O ATOM 0 H GLY A 76 -2.342 -21.148 -34.142 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.519 -21.278 -31.999 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.089 -19.579 -32.018 1.00 0.00 H new ATOM 803 N VAL A 77 -4.286 -20.463 -32.009 1.00 0.00 N ATOM 804 CA VAL A 77 -5.604 -20.298 -31.362 1.00 0.00 C ATOM 805 C VAL A 77 -5.657 -21.118 -30.063 1.00 0.00 C ATOM 806 O VAL A 77 -5.023 -22.178 -29.966 1.00 0.00 O ATOM 807 CB VAL A 77 -6.776 -20.740 -32.321 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.643 -22.220 -32.726 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.170 -20.459 -31.703 1.00 0.00 C ATOM 0 H VAL A 77 -4.322 -20.998 -32.877 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.735 -19.240 -31.133 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.691 -20.134 -33.223 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.466 -22.492 -33.387 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.696 -22.372 -33.245 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.672 -22.845 -31.834 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.947 -20.779 -32.397 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.271 -21.009 -30.767 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.274 -19.391 -31.509 1.00 0.00 H new ATOM 819 N ARG A 78 -6.409 -20.618 -29.069 1.00 0.00 N ATOM 820 CA ARG A 78 -6.580 -21.284 -27.770 1.00 0.00 C ATOM 821 C ARG A 78 -8.057 -21.358 -27.324 1.00 0.00 C ATOM 822 O ARG A 78 -8.374 -21.964 -26.301 1.00 0.00 O ATOM 823 CB ARG A 78 -5.638 -20.628 -26.701 1.00 0.00 C ATOM 824 CG ARG A 78 -5.315 -19.117 -26.867 1.00 0.00 C ATOM 825 CD ARG A 78 -6.526 -18.210 -26.662 1.00 0.00 C ATOM 826 NE ARG A 78 -6.170 -16.787 -26.651 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.131 -16.009 -25.557 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.363 -16.515 -24.340 1.00 0.00 N ATOM 829 NH2 ARG A 78 -5.826 -14.728 -25.688 1.00 0.00 N ATOM 0 H ARG A 78 -6.917 -19.737 -29.145 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.277 -22.325 -27.879 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.091 -20.770 -25.720 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.696 -21.176 -26.700 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.538 -18.839 -26.155 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.909 -18.948 -27.864 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.251 -18.393 -27.455 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.012 -18.466 -25.721 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.934 -16.355 -27.544 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.574 -17.507 -24.232 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.329 -15.909 -23.521 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.624 -14.344 -26.611 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.793 -14.125 -24.866 1.00 0.00 H new ATOM 843 N LEU A 79 -8.972 -20.805 -28.136 1.00 0.00 N ATOM 844 CA LEU A 79 -10.421 -20.740 -27.807 1.00 0.00 C ATOM 845 C LEU A 79 -11.256 -21.475 -28.861 1.00 0.00 C ATOM 846 O LEU A 79 -11.117 -21.215 -30.064 1.00 0.00 O ATOM 847 CB LEU A 79 -10.875 -19.266 -27.720 1.00 0.00 C ATOM 848 CG LEU A 79 -10.071 -18.391 -26.732 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.383 -16.896 -26.902 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.289 -18.852 -25.293 1.00 0.00 C ATOM 0 H LEU A 79 -8.738 -20.389 -29.038 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.574 -21.227 -26.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.807 -18.822 -28.713 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.926 -19.242 -27.431 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.014 -18.519 -26.967 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.796 -16.318 -26.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.130 -16.585 -27.916 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.444 -16.723 -26.723 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.712 -18.220 -24.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.348 -18.779 -25.044 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.963 -19.887 -25.189 1.00 0.00 H new ATOM 862 N CYS A 80 -12.107 -22.425 -28.397 1.00 0.00 N ATOM 863 CA CYS A 80 -13.078 -23.132 -29.259 1.00 0.00 C ATOM 864 C CYS A 80 -14.113 -22.114 -29.714 1.00 0.00 C ATOM 865 O CYS A 80 -14.339 -21.153 -28.985 1.00 0.00 O ATOM 866 CB CYS A 80 -13.736 -24.320 -28.507 1.00 0.00 C ATOM 867 SG CYS A 80 -14.990 -23.843 -27.279 1.00 0.00 S ATOM 0 H CYS A 80 -12.137 -22.718 -27.421 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.574 -23.562 -30.124 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.197 -24.984 -29.238 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.955 -24.892 -28.005 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.714 -24.401 -26.138 1.00 0.00 H new ATOM 872 N ILE A 81 -14.772 -22.348 -30.872 1.00 0.00 N ATOM 873 CA ILE A 81 -15.546 -21.303 -31.607 1.00 0.00 C ATOM 874 C ILE A 81 -16.573 -20.560 -30.706 1.00 0.00 C ATOM 875 O ILE A 81 -16.869 -19.394 -30.928 1.00 0.00 O ATOM 876 CB ILE A 81 -16.260 -21.912 -32.882 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.028 -20.812 -33.699 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.187 -23.098 -32.506 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.741 -21.306 -34.946 1.00 0.00 C ATOM 0 H ILE A 81 -14.787 -23.261 -31.327 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.819 -20.559 -31.933 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.478 -22.306 -33.531 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.762 -20.343 -33.044 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.318 -20.037 -33.990 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.660 -23.490 -33.407 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.598 -23.884 -32.033 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.955 -22.754 -31.813 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.239 -20.469 -35.436 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.015 -21.747 -35.629 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.481 -22.057 -34.669 1.00 0.00 H new ATOM 891 N HIS A 82 -17.029 -21.237 -29.639 1.00 0.00 N ATOM 892 CA HIS A 82 -18.024 -20.708 -28.682 1.00 0.00 C ATOM 893 C HIS A 82 -17.358 -19.742 -27.680 1.00 0.00 C ATOM 894 O HIS A 82 -17.837 -18.617 -27.483 1.00 0.00 O ATOM 895 CB HIS A 82 -18.721 -21.879 -27.946 1.00 0.00 C ATOM 896 CG HIS A 82 -19.262 -22.910 -28.889 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.533 -22.870 -29.411 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.657 -23.982 -29.452 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.687 -23.876 -30.249 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.561 -24.554 -30.292 1.00 0.00 N ATOM 0 H HIS A 82 -16.715 -22.180 -29.411 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.779 -20.146 -29.232 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.011 -22.350 -27.266 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.535 -21.487 -27.336 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.648 -24.319 -29.269 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.584 -24.104 -30.805 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.392 -25.380 -30.866 1.00 0.00 H new ATOM 909 N CYS A 83 -16.225 -20.178 -27.067 1.00 0.00 N ATOM 910 CA CYS A 83 -15.426 -19.314 -26.166 1.00 0.00 C ATOM 911 C CYS A 83 -14.669 -18.244 -26.979 1.00 0.00 C ATOM 912 O CYS A 83 -14.194 -17.270 -26.411 1.00 0.00 O ATOM 913 CB CYS A 83 -14.407 -20.118 -25.320 1.00 0.00 C ATOM 914 SG CYS A 83 -15.085 -21.490 -24.333 1.00 0.00 S ATOM 0 H CYS A 83 -15.849 -21.119 -27.182 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.132 -18.841 -25.484 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.648 -20.521 -25.990 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.902 -19.427 -24.645 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.201 -22.547 -25.081 1.00 0.00 H new ATOM 919 N GLN A 84 -14.524 -18.454 -28.306 1.00 0.00 N ATOM 920 CA GLN A 84 -13.801 -17.516 -29.172 1.00 0.00 C ATOM 921 C GLN A 84 -14.724 -16.352 -29.559 1.00 0.00 C ATOM 922 O GLN A 84 -14.356 -15.194 -29.379 1.00 0.00 O ATOM 923 CB GLN A 84 -13.249 -18.237 -30.450 1.00 0.00 C ATOM 924 CG GLN A 84 -11.922 -17.670 -31.027 1.00 0.00 C ATOM 925 CD GLN A 84 -11.884 -16.140 -31.151 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.297 -15.578 -32.153 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.370 -15.460 -30.138 1.00 0.00 N ATOM 0 H GLN A 84 -14.901 -19.267 -28.794 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.946 -17.123 -28.622 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.099 -19.290 -30.214 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.011 -18.190 -31.228 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.097 -17.991 -30.391 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.753 -18.106 -32.012 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.032 -15.953 -29.312 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.312 -14.443 -30.184 1.00 0.00 H new